| 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 | 58.1 | Low | 92.4 | Very high | 99 Ų | 99 | 75.1 Ų | 75.1 | 49% | 0.488 | 38% | 0.381 | S | S | . | . | 0 | 121.5 | 0 | -71.8 | -158.4 | 70.5 | 0 | 0 | 109 | R27 K34 D36 L86 | M1-R27 PolarHBondContact O-NH2 3.16Å; M1-K34 WeakPolarHBondContact CE-O 3.43Å; M1-D36 VanDerWaalsContact CA-OD1 3.24Å; M1-D36 WeakPolarHBondContact CA-OD1 3.32Å; M1-D36 HydrophobicContact CE-CB 4.13Å; M1-D36 VanDerWaalsContact CE-CG 3.48Å; M1-D36 WeakPolarHBondContact CE-OD1 3.43Å; M1-L86 HydrophobicContact CE-CB 3.13Å; M1-L86 HydrophobicContact CE-CD1 4.32Å; M1-L86 HydrophobicContact CE-CG 4.23Å; M1-L86 WeakPolarHBondContact CE-O 3.49Å; M1-L86 HydrophobicContact SD-CB 3.54Å; M1-L86 VanDerWaalsContact SD-CB 3.54Å; M1-L86 HydrophobicContact SD-CD1 3.59Å; M1-L86 VanDerWaalsContact SD-CD1 3.59Å; M1-L86 HydrophobicContact SD-CD2 4.28Å; M1-L86 HydrophobicContact SD-CG 4.01Å | |||
| 2 | G | 86.1 | Confident | 92.8 | Very high | 33 Ų | 33 | 70 Ų | 70 | 34% | 0.34 | 36% | 0.356 | S | S | . | . | trans | -114.8 | 142.6 | -153.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D36 L37 | G2-D36 PolarHBondContact N-OD1 3.02Å; G2-D36 WeakPolarHBondContact O-CA 3.42Å; G2-L37 PolarHBondContact O-N 2.94Å | ||
| 3 | V | 93.9 | Very high | 93 | Very high | 7 Ų | 7 | 73.8 Ų | 73.8 | 4% | 0.042 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 121.6 | 159 | 171.4 | 0 | 0 | 0 | 0 | 107.3 | L5 R20 V23 D24 L37 I39 | V3-L5 HydrophobicContact CG1-CB 4.3Å; V3-R20 VanDerWaalsContact O-CZ 3.23Å; V3-R20 PolarHBondContact O-NH1 3.23Å; V3-R20 PolarHBondContact O-NH2 2.79Å; V3-V23 HydrophobicContact CB-CG1 4.48Å; V3-V23 HydrophobicContact CG1-CG1 3.98Å; V3-V23 HydrophobicContact CG2-CG1 3.65Å; V3-D24 WeakPolarHBondContact CG2-OD1 3.15Å; V3-L37 WeakPolarHBondContact CA-O 3.34Å; V3-I39 HydrophobicContact CG1-CG1 4.22Å |
| 4 | V | 96.7 | Very high | 93.1 | Very high | 81 Ų | 81 | 70.2 Ų | 70.2 | 49% | 0.491 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 112.2 | 165.5 | 176.6 | 0 | 0 | 0 | 0 | 106.8 | R6 L37 I39 | V4-R6 HydrophobicContact CG1-CG 4.17Å; V4-L37 PolarHBondContact N-O 3.25Å; V4-I39 PolarHBondContact O-N 3.49Å |
| 5 | L | 97.6 | Very high | 93.3 | Very high | 21 Ų | 21 | 75.8 Ų | 75.8 | 11% | 0.11 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 112.9 | 177.1 | -168.7 | 162.8 | 0 | 0 | 0 | 108.9 | V3 R16 L19 R20 I39 | V3-L5 HydrophobicContact CG1-CB 4.3Å; L5-R16 HydrophobicContact CD2-CB 4.06Å; L5-R16 HydrophobicContact CD2-CG 3.91Å; L5-L19 HydrophobicContact CD1-CB 4.12Å; L5-L19 HydrophobicContact CD1-CD2 4Å; L5-L19 HydrophobicContact CD1-CG 3.91Å; L5-R20 HydrophobicContact CD1-CB 4.05Å; L5-I39 WeakPolarHBondContact CA-O 3.34Å; L5-I39 HydrophobicContact CG-CB 4.43Å; L5-I39 HydrophobicContact CG-CG2 4.48Å |
| 6 | R | 97.8 | Very high | 93.4 | Very high | 160 Ų | 160 | 80.4 Ų | 80.4 | 60% | 0.604 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 134.8 | 176.4 | -70.3 | -173.8 | 174 | -172.3 | -0.6 | 110.2 | V4 I39 I40 C41 | V4-R6 HydrophobicContact CG1-CG 4.17Å; R6-I39 PolarHBondContact N-O 3.29Å; R6-I40 WeakPolarHBondContact O-CA 3.47Å; R6-C41 PolarHBondContact O-N 2.9Å |
| 7 | N | 97.9 | Very high | 93.6 | Very high | 49 Ų | 49 | 79.9 Ų | 79.9 | 26% | 0.262 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 106.3 | 171 | -173.8 | 27.3 | 0 | 0 | 0 | 109 | Q9 R16 C41 | N7-Q9 PolarHBondContact ND2-NE2 2.76Å; N7-Q9 PolarHBondContact ND2-O 2.76Å; N7-Q9 VanDerWaalsContact OD1-CG 3.27Å; N7-Q9 WeakPolarHBondContact OD1-CG 3.38Å; N7-Q9 PolarHBondContact OD1-NE2 2.81Å; N7-Q9 PolarHBondContact OD1-O 2.84Å; N7-R16 HydrophobicContact CB-CG 4.4Å; N7-C41 HydrophobicContact CB-CB 4.4Å; N7-C41 WeakPolarHBondContact OD1-CB 3.27Å |
| 8 | L | 97.9 | Very high | 93.7 | Very high | 79 Ų | 79 | 77 Ų | 77 | 41% | 0.414 | 39% | 0.39 | S | S | . | . | trans | -95.2 | -14.4 | -178.8 | -58.4 | -176.4 | 0 | 0 | 0 | 112.4 | I40 C41 V42 R46 | L8-I40 HydrophobicContact CD1-CG2 3.55Å; L8-I40 HydrophobicContact CG-CG2 3.93Å; L8-C41 PolarHBondContact N-O 3.46Å; L8-V42 HydrophobicContact CB-CG1 4.4Å; L8-V42 HydrophobicContact CD1-CG1 4.39Å; L8-R46 PolarHBondContact O-NH1 3.14Å | ||
| 9 | Q | 97.3 | Very high | 93.8 | Very high | 3 Ų | 3 | 73.1 Ų | 73.1 | 1% | 0.014 | 37% | 0.37 | C | S | . | . | trans | -91 | 158.2 | 176 | 66.8 | 72.6 | 29.6 | 0 | 0 | 112.5 | N7 V12 C41 D43 V95 | N7-Q9 PolarHBondContact ND2-NE2 2.76Å; N7-Q9 PolarHBondContact ND2-O 2.76Å; N7-Q9 VanDerWaalsContact OD1-CG 3.27Å; N7-Q9 WeakPolarHBondContact OD1-CG 3.38Å; N7-Q9 PolarHBondContact OD1-NE2 2.81Å; N7-Q9 PolarHBondContact OD1-O 2.84Å; Q9-V12 PolarHBondContact NE2-O 2.91Å; Q9-V12 PolarHBondContact OE1-O 2.83Å; Q9-C41 PolarHBondContact N-O 3.46Å; Q9-D43 HydrophobicContact CB-CB 3.88Å; Q9-V95 HydrophobicContact CG-CB 4.34Å | ||
| 10 | K | 96.1 | Very high | 94 | Very high | 208 Ų | 208 | 73.9 Ų | 73.9 | 90% | 0.904 | 37% | 0.368 | S | S | * | . | trans | -127.7 | 4.3 | 175.1 | -61 | -177 | -179.2 | 179.8 | 0 | 113.2 | ||||
| 11 | V | 96.9 | Very high | 94.2 | Very high | 86 Ų | 86 | 77.7 Ų | 77.7 | 52% | 0.521 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -77.6 | -43.6 | -173.6 | -173.3 | 0 | 0 | 0 | 0 | 111.1 | D43 E96 | V11-D43 HydrophobicContact CG2-CB 4.09Å; V11-E96 HydrophobicContact CB-CG 4.49Å; V11-E96 HydrophobicContact CG1-CG 3.91Å |
| 12 | V | 97 | Very high | 96 | Very high | 14 Ų | 14 | 73.6 Ų | 73.6 | 9% | 0.085 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -114.8 | 123.5 | -176.8 | -177.7 | 0 | 0 | 0 | 0 | 110 | Q9 L14 V95 E96 M99 L109 | Q9-V12 PolarHBondContact NE2-O 2.91Å; Q9-V12 PolarHBondContact OE1-O 2.83Å; V12-L14 PolarHBondContact O-N 2.98Å; V12-V95 HydrophobicContact CB-CG1 3.8Å; V12-V95 HydrophobicContact CG1-CG1 3.9Å; V12-V95 HydrophobicContact CG2-CG1 4.35Å; V12-E96 HydrophobicContact CG2-CB 4.34Å; V12-M99 HydrophobicContact CG1-CB 4.19Å; V12-M99 HydrophobicContact CG1-CG 4.13Å; V12-M99 HydrophobicContact CG1-SD 4.39Å; V12-M99 HydrophobicContact CG2-CB 3.86Å; V12-M99 HydrophobicContact CG2-CG 4.08Å; V12-L109 HydrophobicContact CG1-CD2 3.57Å |
| 13 | P | 95.7 | Very high | 96.6 | Very high | 119 Ų | 119 | 72 Ų | 72 | 77% | 0.773 | 34% | 0.342 | S | S | * | . | trans | -58.8 | 122.1 | 173.6 | -24.3 | 34.3 | 0 | 0 | 0 | 111.5 | ||||
| 14 | L | 95.1 | Very high | 96.7 | Very high | 24 Ų | 24 | 74.5 Ų | 74.5 | 13% | 0.126 | 36% | 0.355 | C | S | . | . | trans | -121.4 | 121.2 | -176.4 | -175.2 | 68.5 | 0 | 0 | 0 | 111.8 | V12 R16 L19 C41 L113 | V12-L14 PolarHBondContact O-N 2.98Å; L14-R16 VanDerWaalsContact C-N 3.31Å; L14-R16 HydrophobicContact CD2-CG 4.41Å; L14-R16 PolarHBondContact O-N 2.84Å; L14-L19 HydrophobicContact CD1-CD2 4.44Å; L14-L19 HydrophobicContact CD2-CD2 4.11Å; L14-C41 HydrophobicContact CD2-CB 3.96Å; L14-C41 WeakPolarHBondContact CD2-SG 3.28Å; L14-L113 HydrophobicContact CD1-CD1 3.5Å; L14-L113 VanDerWaalsContact CD1-CD1 3.5Å | ||
| 15 | R | 95.4 | Very high | 96.8 | Very high | 154 Ų | 154 | 72.3 Ų | 72.3 | 58% | 0.581 | 34% | 0.342 | S | S | * | . | trans | -76.3 | 80.1 | 171.2 | -58.2 | -177 | 70.4 | -170.3 | 2.8 | 110.6 | A17 R18 L19 | R15-A17 PolarHBondContact O-N 3.34Å; R15-A17 VanDerWaalsContact O-N 3.16Å; R15-R18 HydrophobicContact CB-CB 4Å; R15-R18 WeakPolarHBondContact O-CA 3.49Å; R15-R18 WeakPolarHBondContact O-CB 3.37Å; R15-R18 PolarHBondContact O-N 2.97Å; R15-L19 PolarHBondContact O-N 3.32Å; R15-L19 VanDerWaalsContact O-N 3.14Å | ||
| 16 | R | 95.2 | Very high | 96.8 | Very high | 150 Ų | 150 | 71.3 Ų | 71.3 | 57% | 0.566 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -51.4 | -38.9 | -178.4 | -65.8 | -175.9 | -69.3 | 171.9 | -1.6 | 114 | L5 N7 L14 R18 L19 R20 | L5-R16 HydrophobicContact CD2-CB 4.06Å; L5-R16 HydrophobicContact CD2-CG 3.91Å; N7-R16 HydrophobicContact CB-CG 4.4Å; L14-R16 VanDerWaalsContact C-N 3.31Å; L14-R16 HydrophobicContact CD2-CG 4.41Å; L14-R16 PolarHBondContact O-N 2.84Å; R16-R18 VanDerWaalsContact C-N 3.31Å; R16-R18 PolarHBondContact O-N 3.44Å; R16-L19 PolarHBondContact O-N 3.32Å; R16-R20 WeakPolarHBondContact O-CB 3.48Å; R16-R20 PolarHBondContact O-N 3.19Å |
| 17 | A | 95.9 | Very high | 96.7 | Very high | 72 Ų | 72 | 64.3 Ų | 64.3 | 60% | 0.595 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -68.6 | -27.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R15 R21 | R15-A17 PolarHBondContact O-N 3.34Å; R15-A17 VanDerWaalsContact O-N 3.16Å; A17-R21 WeakPolarHBondContact O-CG 3.41Å; A17-R21 PolarHBondContact O-N 3.48Å; A17-R21 PolarHBondContact O-NE 3.48Å |
| 18 | R | 95.5 | Very high | 96.7 | Very high | 27 Ų | 27 | 67.6 Ų | 67.6 | 10% | 0.102 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -73.3 | -54.1 | 172.1 | -178.3 | 173.2 | 174.9 | -166.1 | -6 | 109.5 | R15 R16 R20 R21 D22 D108 H110 | R15-R18 HydrophobicContact CB-CB 4Å; R15-R18 WeakPolarHBondContact O-CA 3.49Å; R15-R18 WeakPolarHBondContact O-CB 3.37Å; R15-R18 PolarHBondContact O-N 2.97Å; R16-R18 VanDerWaalsContact C-N 3.31Å; R16-R18 PolarHBondContact O-N 3.44Å; R18-R20 VanDerWaalsContact C-N 3.26Å; R18-R20 PolarHBondContact O-N 3.46Å; R18-R21 WeakPolarHBondContact O-CB 3.46Å; R18-R21 PolarHBondContact O-N 2.9Å; R18-D22 VanDerWaalsContact O-CG 3.23Å; R18-D22 PolarHBondContact O-N 2.95Å; R18-D108 IonicContact NH2-OD2 2.97Å; R18-H110 VanDerWaalsContact NH1-CB 3.25Å; R18-H110 PolarHBondContact NH1-CD2 3.29Å; R18-H110 VanDerWaalsContact NH1-CG 3.25Å |
| 19 | L | 96.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -54.9 | -41 | 178.7 | -178.8 | 59.6 | 0 | 0 | 0 | 112.5 | L5 L14 R15 R16 R21 D22 V23 I39 L93 L113 | L5-L19 HydrophobicContact CD1-CB 4.12Å; L5-L19 HydrophobicContact CD1-CD2 4Å; L5-L19 HydrophobicContact CD1-CG 3.91Å; L14-L19 HydrophobicContact CD1-CD2 4.44Å; L14-L19 HydrophobicContact CD2-CD2 4.11Å; R15-L19 PolarHBondContact O-N 3.32Å; R15-L19 VanDerWaalsContact O-N 3.14Å; R16-L19 PolarHBondContact O-N 3.32Å; L19-R21 PolarHBondContact O-N 3.37Å; L19-D22 PolarHBondContact O-N 2.89Å; L19-V23 HydrophobicContact CD1-CG2 4.24Å; L19-V23 HydrophobicContact CG-CG2 4.35Å; L19-V23 WeakPolarHBondContact O-CG2 3.38Å; L19-V23 PolarHBondContact O-N 2.91Å; L19-I39 HydrophobicContact CD2-CG2 4.45Å; L19-L93 HydrophobicContact CD2-CD1 4.23Å; L19-L113 HydrophobicContact CD1-CB 4.44Å |
| 20 | R | 97.4 | Very high | 96.5 | Very high | 89 Ų | 89 | 65.2 Ų | 65.2 | 34% | 0.336 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.8 | -46.1 | 174.6 | 177.8 | 171.6 | -74.4 | -84.4 | -0.3 | 112.7 | V3 L5 R16 R18 D22 V23 D24 | V3-R20 VanDerWaalsContact O-CZ 3.23Å; V3-R20 PolarHBondContact O-NH1 3.23Å; V3-R20 PolarHBondContact O-NH2 2.79Å; L5-R20 HydrophobicContact CD1-CB 4.05Å; R16-R20 WeakPolarHBondContact O-CB 3.48Å; R16-R20 PolarHBondContact O-N 3.19Å; R18-R20 VanDerWaalsContact C-N 3.26Å; R18-R20 PolarHBondContact O-N 3.46Å; R20-D22 VanDerWaalsContact C-N 3.31Å; R20-D22 PolarHBondContact O-N 3.47Å; R20-V23 PolarHBondContact O-N 2.95Å; R20-D24 PolarHBondContact O-N 3.39Å |
| 21 | R | 97 | Very high | 96.5 | Very high | 154 Ų | 154 | 56.8 Ų | 56.8 | 58% | 0.581 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -64 | -39.5 | 177.8 | -75.1 | -176 | -69.3 | 171 | 0.9 | 111.7 | A17 R18 L19 D24 T25 | A17-R21 WeakPolarHBondContact O-CG 3.41Å; A17-R21 PolarHBondContact O-N 3.48Å; A17-R21 PolarHBondContact O-NE 3.48Å; R18-R21 WeakPolarHBondContact O-CB 3.46Å; R18-R21 PolarHBondContact O-N 2.9Å; L19-R21 PolarHBondContact O-N 3.37Å; R21-D24 PolarHBondContact O-N 3.49Å; R21-T25 WeakPolarHBondContact O-CB 3.47Å; R21-T25 PolarHBondContact O-N 3.29Å; R21-T25 PolarHBondContact O-OG1 2.98Å |
| 22 | D | 97.4 | Very high | 96.4 | Very high | 14 Ų | 14 | 52.7 Ų | 52.7 | 8% | 0.075 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64 | -47 | 178 | -54.8 | -16.3 | 0 | 0 | 0 | 109.3 | R18 L19 R20 D24 T25 L26 T114 Y149 | R18-D22 VanDerWaalsContact O-CG 3.23Å; R18-D22 PolarHBondContact O-N 2.95Å; L19-D22 PolarHBondContact O-N 2.89Å; R20-D22 VanDerWaalsContact C-N 3.31Å; R20-D22 PolarHBondContact O-N 3.47Å; D22-D24 PolarHBondContact O-N 2.95Å; D22-T25 WeakPolarHBondContact O-CB 3.37Å; D22-T25 PolarHBondContact O-N 3.43Å; D22-L26 WeakPolarHBondContact O-CG 3.37Å; D22-L26 PolarHBondContact O-N 2.85Å; D22-T114 HydrophobicContact CB-CG2 4.11Å; D22-T114 PolarHBondContact OD2-OG1 3.08Å; D22-Y149 HydrophobicContact CB-CE2 4.25Å; D22-Y149 WeakPolarHBondContact CB-OH 3.4Å; D22-Y149 PolarHBondContact OD1-OH 3.35Å |
| 23 | V | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58 | -46.6 | 174 | 176.2 | 0 | 0 | 0 | 0 | 111.9 | V3 L19 R20 T25 L26 R27 L37 I39 T117 | V3-V23 HydrophobicContact CB-CG1 4.48Å; V3-V23 HydrophobicContact CG1-CG1 3.98Å; V3-V23 HydrophobicContact CG2-CG1 3.65Å; L19-V23 HydrophobicContact CD1-CG2 4.24Å; L19-V23 HydrophobicContact CG-CG2 4.35Å; L19-V23 WeakPolarHBondContact O-CG2 3.38Å; L19-V23 PolarHBondContact O-N 2.91Å; R20-V23 PolarHBondContact O-N 2.95Å; V23-T25 VanDerWaalsContact C-N 3.27Å; V23-T25 PolarHBondContact O-N 2.84Å; V23-L26 PolarHBondContact O-N 3.37Å; V23-R27 HydrophobicContact CG1-CG 4.35Å; V23-R27 VanDerWaalsContact O-CG 3.28Å; V23-R27 WeakPolarHBondContact O-CG 3.4Å; V23-R27 PolarHBondContact O-N 2.99Å; V23-L37 HydrophobicContact CG1-CD2 3.87Å; V23-I39 HydrophobicContact CG1-CG1 4.33Å; V23-I39 HydrophobicContact CG2-CG1 4.16Å; V23-T117 HydrophobicContact CG2-CG2 3.86Å |
| 24 | D | 97.3 | Very high | 96.1 | Very high | 58 Ų | 58 | 55 Ų | 55 | 31% | 0.31 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64 | -34.6 | 179.2 | -73.9 | -36.8 | 0 | 0 | 0 | 111.9 | V3 R20 R21 D22 R27 H28 | V3-D24 WeakPolarHBondContact CG2-OD1 3.15Å; R20-D24 PolarHBondContact O-N 3.39Å; R21-D24 PolarHBondContact O-N 3.49Å; D22-D24 PolarHBondContact O-N 2.95Å; D24-R27 IonicContact OD1-NH1 3.25Å; D24-R27 PolarHBondContact OD1-NH1 2.92Å; D24-H28 WeakPolarHBondContact O-CB 3.5Å; D24-H28 PolarHBondContact O-N 2.78Å |
| 25 | T | 97.8 | Very high | 96.1 | Very high | 35 Ų | 35 | 53.9 Ų | 53.9 | 22% | 0.215 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.6 | -46.3 | 173.5 | -54.5 | 0 | 0 | 0 | 0 | 111.1 | R21 D22 V23 R27 H28 I29 Y149 L152 T153 | R21-T25 WeakPolarHBondContact O-CB 3.47Å; R21-T25 PolarHBondContact O-N 3.29Å; R21-T25 PolarHBondContact O-OG1 2.98Å; D22-T25 WeakPolarHBondContact O-CB 3.37Å; D22-T25 PolarHBondContact O-N 3.43Å; V23-T25 VanDerWaalsContact C-N 3.27Å; V23-T25 PolarHBondContact O-N 2.84Å; T25-R27 VanDerWaalsContact C-N 3.33Å; T25-R27 PolarHBondContact O-N 2.92Å; T25-H28 WeakPolarHBondContact O-CB 3.24Å; T25-H28 PolarHBondContact O-N 2.85Å; T25-H28 VanDerWaalsContact O-N 3.09Å; T25-I29 HydrophobicContact CG2-CD1 4.12Å; T25-I29 WeakPolarHBondContact O-CG1 2.77Å; T25-I29 PolarHBondContact O-N 2.73Å; T25-Y149 HydrophobicContact CG2-CD2 3.71Å; T25-Y149 HydrophobicContact CG2-CE2 3.9Å; T25-L152 HydrophobicContact CG2-CD1 4.16Å; T25-T153 HydrophobicContact CG2-CG2 4.36Å |
| 26 | L | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.1 | -44.5 | 175.5 | -66.1 | 173.1 | 0 | 0 | 0 | 111.5 | D22 V23 H28 I29 L30 T114 T117 A118 I121 I145 Y149 | D22-L26 WeakPolarHBondContact O-CG 3.37Å; D22-L26 PolarHBondContact O-N 2.85Å; V23-L26 PolarHBondContact O-N 3.37Å; L26-H28 PolarHBondContact O-N 2.82Å; L26-I29 PolarHBondContact O-N 2.72Å; L26-L30 WeakPolarHBondContact O-CB 3.49Å; L26-L30 WeakPolarHBondContact O-CG 3.37Å; L26-L30 PolarHBondContact O-N 3.26Å; L26-T114 HydrophobicContact CD1-CG2 4.11Å; L26-T114 HydrophobicContact CD2-CG2 4.46Å; L26-T114 HydrophobicContact CG-CG2 4.47Å; L26-T117 HydrophobicContact CD1-CG2 3.97Å; L26-A118 HydrophobicContact CD1-CB 4.1Å; L26-A118 HydrophobicContact CD2-CB 4.01Å; L26-I121 HydrophobicContact CB-CD1 4.15Å; L26-I121 HydrophobicContact CD1-CD1 4.39Å; L26-I145 HydrophobicContact CD2-CG2 3.49Å; L26-I145 VanDerWaalsContact CD2-CG2 3.49Å; L26-Y149 HydrophobicContact CD2-CD2 3.91Å; L26-Y149 HydrophobicContact CD2-CG 4.41Å; L26-Y149 HydrophobicContact CG-CD2 4.34Å |
| 27 | R | 96.8 | Very high | 96.3 | Very high | 12 Ų | 12 | 42.6 Ų | 42.6 | 5% | 0.045 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.6 | -36 | 175.5 | -71.4 | 169.9 | 72.2 | -136.2 | 4.5 | 112.1 | M1 V23 D24 T25 G31 I32 Q33 F35 L37 | M1-R27 PolarHBondContact O-NH2 3.16Å; V23-R27 HydrophobicContact CG1-CG 4.35Å; V23-R27 VanDerWaalsContact O-CG 3.28Å; V23-R27 WeakPolarHBondContact O-CG 3.4Å; V23-R27 PolarHBondContact O-N 2.99Å; D24-R27 IonicContact OD1-NH1 3.25Å; D24-R27 PolarHBondContact OD1-NH1 2.92Å; T25-R27 VanDerWaalsContact C-N 3.33Å; T25-R27 PolarHBondContact O-N 2.92Å; R27-G31 PolarHBondContact O-N 3Å; R27-G31 VanDerWaalsContact O-N 3.16Å; R27-I32 HydrophobicContact CB-CD1 4.4Å; R27-I32 HydrophobicContact CB-CG1 3.91Å; R27-I32 HydrophobicContact CG-CD1 4.01Å; R27-I32 HydrophobicContact CG-CG1 4Å; R27-I32 WeakPolarHBondContact O-CG1 3.46Å; R27-I32 PolarHBondContact O-N 2.97Å; R27-Q33 PolarHBondContact NH2-O 3.15Å; R27-F35 PolarHBondContact NH2-O 3.38Å; R27-L37 HydrophobicContact CG-CD2 4.22Å |
| 28 | H | 96.6 | Very high | 96.4 | Very high | 118 Ų | 118 | 39.4 Ų | 39.4 | 55% | 0.546 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66.9 | -48.8 | 176.6 | -177 | 89.1 | 0 | 0 | 0 | 112.1 | D24 T25 L26 L30 G31 Q33 | D24-H28 WeakPolarHBondContact O-CB 3.5Å; D24-H28 PolarHBondContact O-N 2.78Å; T25-H28 WeakPolarHBondContact O-CB 3.24Å; T25-H28 PolarHBondContact O-N 2.85Å; T25-H28 VanDerWaalsContact O-N 3.09Å; L26-H28 PolarHBondContact O-N 2.82Å; H28-L30 PolarHBondContact O-N 2.87Å; H28-G31 PolarHBondContact O-N 3.06Å; H28-G31 VanDerWaalsContact O-N 3.17Å; H28-Q33 HydrophobicContact CB-CG 4.36Å; H28-Q33 PolarHBondContact ND1-NE2 3.49Å; H28-Q33 VanDerWaalsContact ND1-NE2 3.12Å; H28-Q33 PolarHBondContact O-NE2 2.91Å |
| 29 | I | 96.6 | Very high | 96.5 | Very high | 24 Ų | 24 | 38.1 Ų | 38.1 | 12% | 0.123 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.4 | -39.6 | 176.8 | -67.1 | 161.7 | 0 | 0 | 0 | 111.1 | T25 L26 Y144 E148 Y149 L152 | T25-I29 HydrophobicContact CG2-CD1 4.12Å; T25-I29 WeakPolarHBondContact O-CG1 2.77Å; T25-I29 PolarHBondContact O-N 2.73Å; L26-I29 PolarHBondContact O-N 2.72Å; I29-Y144 HydrophobicContact CG2-CE1 4.23Å; I29-E148 HydrophobicContact CD1-CB 4.02Å; I29-E148 HydrophobicContact CG1-CB 4.05Å; I29-E148 HydrophobicContact CG2-CB 3.73Å; I29-E148 HydrophobicContact CG2-CG 4.23Å; I29-Y149 HydrophobicContact CD1-CD2 4.32Å; I29-L152 HydrophobicContact CD1-CD1 4.16Å; I29-L152 HydrophobicContact CG1-CD1 3.9Å |
| 30 | L | 95.3 | Very high | 96.6 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -6.2 | -176.7 | -72.6 | 170.9 | 0 | 0 | 0 | 114.6 | L26 H28 I32 I121 L125 R141 I145 | L26-L30 WeakPolarHBondContact O-CB 3.49Å; L26-L30 WeakPolarHBondContact O-CG 3.37Å; L26-L30 PolarHBondContact O-N 3.26Å; H28-L30 PolarHBondContact O-N 2.87Å; L30-I32 VanDerWaalsContact C-N 3.29Å; L30-I32 HydrophobicContact CB-CD1 4.06Å; L30-I32 HydrophobicContact CB-CG1 3.85Å; L30-I32 HydrophobicContact CB-CG2 4.37Å; L30-I32 HydrophobicContact CD1-CD1 4.13Å; L30-I32 PolarHBondContact O-N 2.92Å; L30-I121 HydrophobicContact CD1-CB 4.26Å; L30-I121 HydrophobicContact CD1-CG2 3.44Å; L30-I121 VanDerWaalsContact CD1-CG2 3.44Å; L30-L125 HydrophobicContact CD1-CD1 4.25Å; L30-L125 HydrophobicContact CD2-CD1 4.22Å; L30-R141 VanDerWaalsContact CD2-NH2 3.26Å; L30-I145 HydrophobicContact CD1-CD1 4.18Å; L30-I145 HydrophobicContact CD2-CD1 3.76Å; L30-I145 HydrophobicContact CD2-CG1 3.72Å; L30-I145 HydrophobicContact CG-CD1 4.34Å; L30-I145 HydrophobicContact CG-CG1 4.23Å |
| 31 | G | 94.9 | Very high | 96.6 | Very high | 32 Ų | 32 | 34.6 Ų | 34.6 | 33% | 0.33 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 26.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | R27 H28 | R27-G31 PolarHBondContact O-N 3Å; R27-G31 VanDerWaalsContact O-N 3.16Å; H28-G31 PolarHBondContact O-N 3.06Å; H28-G31 VanDerWaalsContact O-N 3.17Å |
| 32 | I | 94.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -111.7 | 22.8 | -175.3 | 59.9 | 170.3 | 0 | 0 | 0 | 112.9 | R27 L30 K34 F35 L77 L88 I121 L125 | R27-I32 HydrophobicContact CB-CD1 4.4Å; R27-I32 HydrophobicContact CB-CG1 3.91Å; R27-I32 HydrophobicContact CG-CD1 4.01Å; R27-I32 HydrophobicContact CG-CG1 4Å; R27-I32 WeakPolarHBondContact O-CG1 3.46Å; R27-I32 PolarHBondContact O-N 2.97Å; L30-I32 VanDerWaalsContact C-N 3.29Å; L30-I32 HydrophobicContact CB-CD1 4.06Å; L30-I32 HydrophobicContact CB-CG1 3.85Å; L30-I32 HydrophobicContact CB-CG2 4.37Å; L30-I32 HydrophobicContact CD1-CD1 4.13Å; L30-I32 PolarHBondContact O-N 2.92Å; I32-K34 PolarHBondContact O-N 2.67Å; I32-K34 VanDerWaalsContact O-N 3.15Å; I32-F35 HydrophobicContact CB-CD2 3.96Å; I32-F35 HydrophobicContact CG2-CD2 4.17Å; I32-F35 PolarHBondContact O-N 3.4Å; I32-L77 HydrophobicContact CG2-CD2 3.66Å; I32-L88 HydrophobicContact CB-CD1 3.87Å; I32-L88 HydrophobicContact CD1-CD1 3.48Å; I32-L88 VanDerWaalsContact CD1-CD1 3.48Å; I32-L88 HydrophobicContact CG1-CD1 4.18Å; I32-L88 HydrophobicContact CG2-CD1 4.15Å; I32-I121 HydrophobicContact CD1-CG2 3.66Å; I32-L125 HydrophobicContact CG2-CD2 4.26Å | ||
| 33 | Q | 94.1 | Very high | 96.8 | Very high | 82 Ų | 82 | 27.7 Ų | 27.7 | 38% | 0.383 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -22.1 | -178.9 | -46.3 | 94.2 | -31.4 | 0 | 0 | 112.4 | R27 H28 F35 | R27-Q33 PolarHBondContact NH2-O 3.15Å; H28-Q33 HydrophobicContact CB-CG 4.36Å; H28-Q33 PolarHBondContact ND1-NE2 3.49Å; H28-Q33 VanDerWaalsContact ND1-NE2 3.12Å; H28-Q33 PolarHBondContact O-NE2 2.91Å; Q33-F35 VanDerWaalsContact C-N 3.28Å; Q33-F35 PolarHBondContact O-N 2.76Å |
| 34 | K | 92.9 | Very high | 96.8 | Very high | 100 Ų | 100 | 28.9 Ų | 28.9 | 44% | 0.435 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 13.2 | 173.5 | 70.6 | 165.9 | -169.5 | 177.4 | 0 | 113.8 | M1 I32 L86 | M1-K34 WeakPolarHBondContact CE-O 3.43Å; I32-K34 PolarHBondContact O-N 2.67Å; I32-K34 VanDerWaalsContact O-N 3.15Å; K34-L86 HydrophobicContact CD-CD2 4.36Å; K34-L86 WeakPolarHBondContact O-CD2 3.43Å |
| 35 | F | 95.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -117.1 | 139.8 | 174.3 | -69.7 | -85.5 | 0 | 0 | 0 | 110.3 | R27 I32 Q33 Y69 P78 P80 L86 L88 | R27-F35 PolarHBondContact NH2-O 3.38Å; I32-F35 HydrophobicContact CB-CD2 3.96Å; I32-F35 HydrophobicContact CG2-CD2 4.17Å; I32-F35 PolarHBondContact O-N 3.4Å; Q33-F35 VanDerWaalsContact C-N 3.28Å; Q33-F35 PolarHBondContact O-N 2.76Å; F35-Y69 HydrophobicContact CE1-CE2 4.16Å; F35-P78 HydrophobicContact CE1-CB 3.77Å; F35-P78 HydrophobicContact CE1-CG 3.86Å; F35-P78 HydrophobicContact CZ-CB 3.74Å; F35-P78 HydrophobicContact CZ-CG 3.81Å; F35-P80 HydrophobicContact CE1-CG 4.2Å; F35-P80 HydrophobicContact CZ-CG 4.42Å; F35-L86 HydrophobicContact CE1-CD2 4.34Å; F35-L88 HydrophobicContact CB-CB 4.38Å; F35-L88 HydrophobicContact CB-CD1 3.66Å; F35-L88 HydrophobicContact CB-CG 3.54Å; F35-L88 HydrophobicContact CD1-CD2 4.48Å; F35-L88 HydrophobicContact CD1-CG 4.14Å; F35-L88 HydrophobicContact CD2-CD1 4.5Å; F35-L88 HydrophobicContact CD2-CG 4.47Å; F35-L88 HydrophobicContact CG-CD1 4.16Å; F35-L88 HydrophobicContact CG-CD2 4.38Å; F35-L88 HydrophobicContact CG-CG 3.82Å |
| 36 | D | 96.1 | Very high | 96.9 | Very high | 65 Ų | 65 | 37.9 Ų | 37.9 | 35% | 0.348 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 143.2 | 168.2 | -70.3 | -26.6 | 0 | 0 | 0 | 108.9 | M1 G2 L86 N87 L88 | M1-D36 VanDerWaalsContact CA-OD1 3.24Å; M1-D36 WeakPolarHBondContact CA-OD1 3.32Å; M1-D36 HydrophobicContact CE-CB 4.13Å; M1-D36 VanDerWaalsContact CE-CG 3.48Å; M1-D36 WeakPolarHBondContact CE-OD1 3.43Å; G2-D36 PolarHBondContact N-OD1 3.02Å; G2-D36 WeakPolarHBondContact O-CA 3.42Å; D36-L86 PolarHBondContact N-O 2.83Å; D36-N87 PolarHBondContact O-OD1 3Å; D36-L88 PolarHBondContact O-N 3.2Å |
| 37 | L | 97.7 | Very high | 96.9 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 122.9 | -176.7 | 177.8 | 62.3 | 0 | 0 | 0 | 109.8 | G2 V3 V4 V23 R27 I39 I91 I121 L124 | G2-L37 PolarHBondContact O-N 2.94Å; V3-L37 WeakPolarHBondContact CA-O 3.34Å; V4-L37 PolarHBondContact N-O 3.25Å; V23-L37 HydrophobicContact CG1-CD2 3.87Å; R27-L37 HydrophobicContact CG-CD2 4.22Å; L37-I39 HydrophobicContact CD1-CD1 4.37Å; L37-I39 HydrophobicContact CD2-CD1 4Å; L37-I39 HydrophobicContact CG-CD1 3.97Å; L37-I39 HydrophobicContact CG-CG1 4.35Å; L37-I91 HydrophobicContact CD1-CD1 4.06Å; L37-I91 HydrophobicContact CD1-CG1 4.28Å; L37-I121 HydrophobicContact CD2-CD1 4.04Å; L37-I121 HydrophobicContact CD2-CG1 4.1Å; L37-L124 HydrophobicContact CD1-CD1 3.34Å |
| 38 | G | 98.3 | Very high | 97 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 127.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G89 D90 I91 | G38-G89 PolarHBondContact N-O 2.92Å; G38-D90 WeakPolarHBondContact CA-OD1 3.32Å; G38-D90 CarbonylContact O-C 3.57Å; G38-I91 PolarHBondContact O-N 3.49Å |
| 39 | I | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 115 | 170.8 | -54 | -62.4 | 0 | 0 | 0 | 108.2 | V3 V4 L5 R6 L19 V23 L37 I91 L93 T117 | V3-I39 HydrophobicContact CG1-CG1 4.22Å; V4-I39 PolarHBondContact O-N 3.49Å; L5-I39 WeakPolarHBondContact CA-O 3.34Å; L5-I39 HydrophobicContact CG-CB 4.43Å; L5-I39 HydrophobicContact CG-CG2 4.48Å; R6-I39 PolarHBondContact N-O 3.29Å; L19-I39 HydrophobicContact CD2-CG2 4.45Å; V23-I39 HydrophobicContact CG1-CG1 4.33Å; V23-I39 HydrophobicContact CG2-CG1 4.16Å; L37-I39 HydrophobicContact CD1-CD1 4.37Å; L37-I39 HydrophobicContact CD2-CD1 4Å; L37-I39 HydrophobicContact CG-CD1 3.97Å; L37-I39 HydrophobicContact CG-CG1 4.35Å; I39-I91 WeakPolarHBondContact CA-O 3.47Å; I39-I91 HydrophobicContact CD1-CB 3.85Å; I39-I91 HydrophobicContact CD1-CD1 3.82Å; I39-I91 HydrophobicContact CD1-CG1 4.15Å; I39-L93 HydrophobicContact CG2-CD1 3.63Å; I39-L93 HydrophobicContact CG2-CG 4.29Å; I39-T117 HydrophobicContact CD1-CG2 4.13Å |
| 40 | I | 98.6 | Very high | 97.2 | Very high | 18 Ų | 18 | 40 Ų | 40 | 9% | 0.092 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 109.5 | -176.8 | -54.5 | 88.2 | 0 | 0 | 0 | 109.2 | R6 L8 V42 D90 I91 F92 L93 | R6-I40 WeakPolarHBondContact O-CA 3.47Å; L8-I40 HydrophobicContact CD1-CG2 3.55Å; L8-I40 HydrophobicContact CG-CG2 3.93Å; I40-V42 HydrophobicContact CG2-CG1 4.04Å; I40-D90 HydrophobicContact CD1-CB 4.07Å; I40-I91 PolarHBondContact N-O 3.12Å; I40-F92 HydrophobicContact CB-CD1 3.83Å; I40-F92 HydrophobicContact CB-CE1 3.9Å; I40-F92 HydrophobicContact CB-CG 4.35Å; I40-F92 HydrophobicContact CB-CZ 4.46Å; I40-F92 HydrophobicContact CD1-CE1 4.48Å; I40-F92 HydrophobicContact CD1-CE2 4.2Å; I40-F92 HydrophobicContact CD1-CZ 4.19Å; I40-F92 HydrophobicContact CG1-CE1 4.26Å; I40-F92 HydrophobicContact CG1-CZ 4.39Å; I40-F92 HydrophobicContact CG2-CD1 3.94Å; I40-F92 HydrophobicContact CG2-CE1 3.84Å; I40-F92 CarbonylContact O-C 3.54Å; I40-F92 VanDerWaalsContact O-CA 3.32Å; I40-F92 WeakPolarHBondContact O-CA 3.36Å; I40-L93 PolarHBondContact O-N 3.34Å |
| 41 | C | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 125.4 | 176.6 | -58.2 | 0 | 0 | 0 | 0 | 110.6 | R6 N7 L8 Q9 L14 V95 | R6-C41 PolarHBondContact O-N 2.9Å; N7-C41 HydrophobicContact CB-CB 4.4Å; N7-C41 WeakPolarHBondContact OD1-CB 3.27Å; L8-C41 PolarHBondContact N-O 3.46Å; Q9-C41 PolarHBondContact N-O 3.46Å; L14-C41 HydrophobicContact CD2-CB 3.96Å; L14-C41 WeakPolarHBondContact CD2-SG 3.28Å; C41-V95 HydrophobicContact CB-CG2 3.56Å |
| 42 | V | 98.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 163.7 | -174.6 | -71 | 0 | 0 | 0 | 0 | 111.9 | L8 I40 R46 I47 F92 L93 V95 | L8-V42 HydrophobicContact CB-CG1 4.4Å; L8-V42 HydrophobicContact CD1-CG1 4.39Å; I40-V42 HydrophobicContact CG2-CG1 4.04Å; V42-R46 HydrophobicContact CB-CB 3.97Å; V42-R46 HydrophobicContact CG1-CB 4.21Å; V42-I47 HydrophobicContact CG2-CB 3.72Å; V42-I47 HydrophobicContact CG2-CD1 4.07Å; V42-I47 HydrophobicContact CG2-CG1 4.2Å; V42-F92 HydrophobicContact CG1-CD1 4.13Å; V42-F92 HydrophobicContact CG2-CB 4.49Å; V42-L93 WeakPolarHBondContact CG2-O 3.35Å; V42-L93 PolarHBondContact N-O 3.35Å; V42-V95 PolarHBondContact O-N 3.09Å |
| 43 | D | 98.5 | Very high | 97.6 | Very high | 21 Ų | 21 | 46.9 Ų | 46.9 | 11% | 0.112 | 22% | 0.217 | C | C | . | . | trans | -88.3 | 172.4 | 174.5 | 51.8 | 51.9 | 0 | 0 | 0 | 110.7 | Q9 V11 R45 R46 I47 E96 | Q9-D43 HydrophobicContact CB-CB 3.88Å; V11-D43 HydrophobicContact CG2-CB 4.09Å; D43-R45 VanDerWaalsContact C-N 3.29Å; D43-R45 PolarHBondContact O-N 3.26Å; D43-R45 PolarHBondContact OD1-N 3Å; D43-R46 PolarHBondContact O-N 3.39Å; D43-R46 WeakPolarHBondContact OD1-CB 3.42Å; D43-R46 WeakPolarHBondContact OD1-CG 3.46Å; D43-R46 PolarHBondContact OD1-N 2.88Å; D43-R46 IonicContact OD2-CZ 3.52Å; D43-R46 IonicContact OD2-NH1 3.7Å; D43-R46 PolarHBondContact OD2-NH1 3.23Å; D43-I47 PolarHBondContact O-N 2.91Å; D43-E96 WeakPolarHBondContact CB-OE2 3.12Å | ||
| 44 | N | 98.6 | Very high | 97.7 | Very high | 25 Ų | 25 | 49.9 Ų | 49.9 | 13% | 0.134 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59 | -41.1 | -178.1 | -79 | -21 | 0 | 0 | 0 | 112.4 | R46 Q48 P60 E96 F97 | N44-R46 PolarHBondContact O-N 3.18Å; N44-Q48 WeakPolarHBondContact O-CB 3.32Å; N44-Q48 PolarHBondContact O-N 2.85Å; N44-P60 HydrophobicContact CB-CB 4.08Å; N44-E96 WeakPolarHBondContact CB-OE2 3.42Å; N44-E96 VanDerWaalsContact CG-CD 3.46Å; N44-E96 PolarHBondContact N-OE2 2.98Å; N44-E96 WeakPolarHBondContact ND2-CG 3.46Å; N44-E96 PolarHBondContact ND2-OE1 3.01Å; N44-F97 WeakPolarHBondContact OD1-CA 3.49Å; N44-F97 VanDerWaalsContact OD1-CB 3.25Å; N44-F97 WeakPolarHBondContact OD1-CB 3.34Å; N44-F97 PolarHBondContact OD1-N 3.43Å |
| 45 | R | 98.3 | Very high | 97.8 | Very high | 182 Ų | 182 | 51.4 Ų | 51.4 | 69% | 0.687 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -60.2 | -49.5 | -179.9 | -179.4 | -177.7 | 173.4 | -174.3 | 0.6 | 111 | D43 Q49 | D43-R45 VanDerWaalsContact C-N 3.29Å; D43-R45 PolarHBondContact O-N 3.26Å; D43-R45 PolarHBondContact OD1-N 3Å; R45-Q49 VanDerWaalsContact O-CG 3.27Å; R45-Q49 WeakPolarHBondContact O-CG 3.39Å; R45-Q49 PolarHBondContact O-N 2.93Å; R45-Q49 VanDerWaalsContact O-N 3.11Å |
| 46 | R | 98.4 | Very high | 97.8 | Very high | 100 Ų | 100 | 59.1 Ų | 59.1 | 38% | 0.377 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68 | -46.3 | -178.9 | -75.9 | 178.7 | 179.1 | 125.3 | -15.3 | 111.9 | L8 V42 D43 N44 Q48 Q49 I50 | L8-R46 PolarHBondContact O-NH1 3.14Å; V42-R46 HydrophobicContact CB-CB 3.97Å; V42-R46 HydrophobicContact CG1-CB 4.21Å; D43-R46 PolarHBondContact O-N 3.39Å; D43-R46 WeakPolarHBondContact OD1-CB 3.42Å; D43-R46 WeakPolarHBondContact OD1-CG 3.46Å; D43-R46 PolarHBondContact OD1-N 2.88Å; D43-R46 IonicContact OD2-CZ 3.52Å; D43-R46 IonicContact OD2-NH1 3.7Å; D43-R46 PolarHBondContact OD2-NH1 3.23Å; N44-R46 PolarHBondContact O-N 3.18Å; R46-Q48 VanDerWaalsContact C-N 3.31Å; R46-Q48 PolarHBondContact O-N 3.44Å; R46-Q49 WeakPolarHBondContact O-CB 3.3Å; R46-Q49 PolarHBondContact O-N 3.11Å; R46-I50 VanDerWaalsContact O-CG1 3.28Å; R46-I50 WeakPolarHBondContact O-CG1 3.29Å; R46-I50 PolarHBondContact O-N 3.07Å |
| 47 | I | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.7 | -35.3 | -178.9 | -159.8 | 157 | 0 | 0 | 0 | 111.8 | V42 D43 I50 N51 P60 T61 L64 G94 | V42-I47 HydrophobicContact CG2-CB 3.72Å; V42-I47 HydrophobicContact CG2-CD1 4.07Å; V42-I47 HydrophobicContact CG2-CG1 4.2Å; D43-I47 PolarHBondContact O-N 2.91Å; I47-I50 PolarHBondContact O-N 3.27Å; I47-N51 VanDerWaalsContact O-CB 3.25Å; I47-N51 WeakPolarHBondContact O-CB 3.46Å; I47-N51 PolarHBondContact O-N 2.98Å; I47-P60 HydrophobicContact CG2-CB 4.02Å; I47-T61 HydrophobicContact CD1-CG2 4.01Å; I47-T61 WeakPolarHBondContact CD1-O 2.99Å; I47-T61 HydrophobicContact CG1-CG2 4.05Å; I47-L64 HydrophobicContact CG1-CD1 3.95Å; I47-L64 HydrophobicContact CG1-CG 4.31Å; I47-G94 VanDerWaalsContact CD1-N 3.26Å |
| 48 | Q | 98.4 | Very high | 97.7 | Very high | 62 Ų | 62 | 64.3 Ų | 64.3 | 29% | 0.29 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 172.5 | 179.8 | 175.2 | 15.5 | 0 | 0 | 112.2 | N44 R46 N51 N52 N58 P60 | N44-Q48 WeakPolarHBondContact O-CB 3.32Å; N44-Q48 PolarHBondContact O-N 2.85Å; R46-Q48 VanDerWaalsContact C-N 3.31Å; R46-Q48 PolarHBondContact O-N 3.44Å; Q48-N51 PolarHBondContact O-N 3.26Å; Q48-N52 WeakPolarHBondContact O-CB 3.4Å; Q48-N52 PolarHBondContact O-N 3.45Å; Q48-N58 PolarHBondContact NE2-O 3.49Å; Q48-N58 PolarHBondContact NE2-OD1 2.87Å; Q48-N58 VanDerWaalsContact NE2-OD1 3.13Å; Q48-P60 HydrophobicContact CB-CB 4.36Å |
| 49 | Q | 98.4 | Very high | 97.7 | Very high | 107 Ų | 107 | 66.4 Ų | 66.4 | 50% | 0.5 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 175.9 | -74.9 | 173.3 | -21.8 | 0 | 0 | 111.7 | R45 R46 N52 L53 | R45-Q49 VanDerWaalsContact O-CG 3.27Å; R45-Q49 WeakPolarHBondContact O-CG 3.39Å; R45-Q49 PolarHBondContact O-N 2.93Å; R45-Q49 VanDerWaalsContact O-N 3.11Å; R46-Q49 WeakPolarHBondContact O-CB 3.3Å; R46-Q49 PolarHBondContact O-N 3.11Å; Q49-N52 PolarHBondContact O-N 3.46Å; Q49-L53 WeakPolarHBondContact O-CB 3.39Å; Q49-L53 PolarHBondContact O-N 3.17Å |
| 50 | I | 98.2 | Very high | 97.6 | Very high | 30 Ų | 30 | 68.2 Ų | 68.2 | 15% | 0.154 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.2 | -45 | 177.3 | -60.9 | 165.5 | 0 | 0 | 0 | 109.8 | R46 I47 N52 L53 Y54 L64 F66 F92 | R46-I50 VanDerWaalsContact O-CG1 3.28Å; R46-I50 WeakPolarHBondContact O-CG1 3.29Å; R46-I50 PolarHBondContact O-N 3.07Å; I47-I50 PolarHBondContact O-N 3.27Å; I50-N52 VanDerWaalsContact C-N 3.33Å; I50-N52 PolarHBondContact O-N 3.29Å; I50-L53 PolarHBondContact O-N 3Å; I50-Y54 HydrophobicContact CG2-CD2 3.71Å; I50-Y54 HydrophobicContact CG2-CE2 4.1Å; I50-Y54 WeakPolarHBondContact O-CD2 3.32Å; I50-Y54 PolarHBondContact O-N 2.92Å; I50-L64 HydrophobicContact CB-CD1 3.95Å; I50-L64 HydrophobicContact CG2-CD1 3.55Å; I50-F66 HydrophobicContact CG2-CE2 4.05Å; I50-F66 HydrophobicContact CG2-CZ 3.68Å; I50-F92 HydrophobicContact CD1-CD1 3.52Å; I50-F92 HydrophobicContact CD1-CE1 3.73Å; I50-F92 HydrophobicContact CD1-CG 4.17Å |
| 51 | N | 98.2 | Very high | 97.6 | Very high | 9 Ų | 9 | 68.9 Ų | 68.9 | 5% | 0.048 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60 | -43.5 | 178.8 | -158.4 | 13.5 | 0 | 0 | 0 | 111.5 | I47 Q48 R55 K56 K57 A59 L64 | I47-N51 VanDerWaalsContact O-CB 3.25Å; I47-N51 WeakPolarHBondContact O-CB 3.46Å; I47-N51 PolarHBondContact O-N 2.98Å; Q48-N51 PolarHBondContact O-N 3.26Å; N51-R55 CarbonylContact O-C 3.46Å; N51-R55 VanDerWaalsContact O-CA 3.3Å; N51-R55 WeakPolarHBondContact O-CA 3.29Å; N51-R55 VanDerWaalsContact O-CB 3.31Å; N51-R55 WeakPolarHBondContact O-CB 3.34Å; N51-R55 PolarHBondContact O-N 3.2Å; N51-R55 WeakPolarHBondContact OD1-CB 3.5Å; N51-K56 PolarHBondContact O-N 3.17Å; N51-K57 CarbonylContact C-O 3.26Å; N51-K57 VanDerWaalsContact C-O 3.26Å; N51-K57 WeakPolarHBondContact CB-O 3.39Å; N51-K57 PolarHBondContact O-N 3.39Å; N51-A59 PolarHBondContact ND2-O 3.41Å; N51-L64 HydrophobicContact CB-CD1 3.98Å |
| 52 | N | 97.9 | Very high | 97.5 | Very high | 71 Ų | 71 | 70.2 Ų | 70.2 | 38% | 0.38 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 176.4 | -172.1 | 45.4 | 0 | 0 | 0 | 112.1 | Q48 Q49 I50 K56 K57 N58 | Q48-N52 WeakPolarHBondContact O-CB 3.4Å; Q48-N52 PolarHBondContact O-N 3.45Å; Q49-N52 PolarHBondContact O-N 3.46Å; I50-N52 VanDerWaalsContact C-N 3.33Å; I50-N52 PolarHBondContact O-N 3.29Å; N52-K56 VanDerWaalsContact O-CA 3.26Å; N52-K56 WeakPolarHBondContact O-CA 3.38Å; N52-K56 PolarHBondContact O-N 2.85Å; N52-K57 WeakPolarHBondContact CA-O 3.17Å; N52-K57 PolarHBondContact N-O 2.99Å; N52-N58 HydrophobicContact CB-CB 4.45Å |
| 53 | L | 97.9 | Very high | 97.5 | Very high | 104 Ų | 104 | 70.6 Ų | 70.6 | 55% | 0.545 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.3 | -50.5 | -178.4 | -178.8 | 58.7 | 0 | 0 | 0 | 111.6 | Q49 I50 K56 | Q49-L53 WeakPolarHBondContact O-CB 3.39Å; Q49-L53 PolarHBondContact O-N 3.17Å; I50-L53 PolarHBondContact O-N 3Å; L53-K56 PolarHBondContact O-NZ 3.49Å |
| 54 | Y | 96.3 | Very high | 97.4 | Very high | 146 Ų | 146 | 70.2 Ų | 70.2 | 57% | 0.573 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -96.1 | -28.9 | -169.7 | -68.8 | -82 | 0 | 0 | 0 | 114.6 | I50 F66 | I50-Y54 HydrophobicContact CG2-CD2 3.71Å; I50-Y54 HydrophobicContact CG2-CE2 4.1Å; I50-Y54 WeakPolarHBondContact O-CD2 3.32Å; I50-Y54 PolarHBondContact O-N 2.92Å; Y54-F66 AromaticContact CD1-CE1 3.76Å; Y54-F66 HydrophobicContact CD1-CE1 3.76Å; Y54-F66 AromaticContact CD2-CE1 3.87Å; Y54-F66 HydrophobicContact CD2-CE1 3.87Å; Y54-F66 AromaticContact CD2-CZ 3.84Å; Y54-F66 HydrophobicContact CD2-CZ 3.84Å; Y54-F66 HydrophobicContact CE1-CE1 4.16Å; Y54-F66 HydrophobicContact CE2-CE1 4.26Å; Y54-F66 HydrophobicContact CE2-CZ 4.3Å; Y54-F66 AromaticContact CG-CE1 3.6Å; Y54-F66 HydrophobicContact CG-CE1 3.6Å; Y54-F66 AromaticContact CG-CZ 3.98Å; Y54-F66 HydrophobicContact CG-CZ 3.98Å |
| 55 | R | 93.6 | Very high | 97.4 | Very high | 132 Ų | 132 | 69.3 Ų | 69.3 | 50% | 0.498 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -115.4 | -2 | -178.2 | -54.6 | -66.6 | -177.5 | 163.5 | -1.4 | 113.6 | N51 K57 L64 | N51-R55 CarbonylContact O-C 3.46Å; N51-R55 VanDerWaalsContact O-CA 3.3Å; N51-R55 WeakPolarHBondContact O-CA 3.29Å; N51-R55 VanDerWaalsContact O-CB 3.31Å; N51-R55 WeakPolarHBondContact O-CB 3.34Å; N51-R55 PolarHBondContact O-N 3.2Å; N51-R55 WeakPolarHBondContact OD1-CB 3.5Å; R55-K57 HydrophobicContact CB-CB 4.49Å; R55-K57 HydrophobicContact CB-CG 4.34Å; R55-K57 PolarHBondContact O-N 3.1Å; R55-K57 VanDerWaalsContact O-N 3.15Å; R55-L64 HydrophobicContact CG-CD2 4.15Å |
| 56 | K | 96.8 | Very high | 97.4 | Very high | 162 Ų | 162 | 62.9 Ų | 62.9 | 70% | 0.704 | 30% | 0.301 | S | S | * | . | trans | 57.8 | 21.6 | -174.4 | -50.4 | -53.6 | 179.5 | -156.9 | 0 | 113.9 | N51 N52 L53 | N51-K56 PolarHBondContact O-N 3.17Å; N52-K56 VanDerWaalsContact O-CA 3.26Å; N52-K56 WeakPolarHBondContact O-CA 3.38Å; N52-K56 PolarHBondContact O-N 2.85Å; L53-K56 PolarHBondContact O-NZ 3.49Å | ||
| 57 | K | 95.1 | Very high | 97.3 | Very high | 66 Ų | 66 | 60.4 Ų | 60.4 | 29% | 0.287 | 30% | 0.297 | S | S | . | . | trans | -102.9 | 106.9 | 177 | -67.5 | -178 | -179.6 | -169.9 | 0 | 109.6 | N51 N52 R55 A59 E167 T168 | N51-K57 CarbonylContact C-O 3.26Å; N51-K57 VanDerWaalsContact C-O 3.26Å; N51-K57 WeakPolarHBondContact CB-O 3.39Å; N51-K57 PolarHBondContact O-N 3.39Å; N52-K57 WeakPolarHBondContact CA-O 3.17Å; N52-K57 PolarHBondContact N-O 2.99Å; R55-K57 HydrophobicContact CB-CB 4.49Å; R55-K57 HydrophobicContact CB-CG 4.34Å; R55-K57 PolarHBondContact O-N 3.1Å; R55-K57 VanDerWaalsContact O-N 3.15Å; K57-A59 PolarHBondContact O-N 3Å; K57-E167 IonicContact NZ-OE2 2.63Å; K57-E167 PolarHBondContact NZ-OE2 3.43Å; K57-T168 WeakPolarHBondContact CE-O 3.38Å; K57-T168 PolarHBondContact NZ-O 2.9Å | ||
| 58 | N | 96.8 | Very high | 97.1 | Very high | 110 Ų | 110 | 65 Ų | 65 | 59% | 0.588 | 32% | 0.317 | S | S | * | . | trans | -82.4 | 51.9 | 179.4 | -170.3 | 23.3 | 0 | 0 | 0 | 112.9 | Q48 N52 | Q48-N58 PolarHBondContact NE2-O 3.49Å; Q48-N58 PolarHBondContact NE2-OD1 2.87Å; Q48-N58 VanDerWaalsContact NE2-OD1 3.13Å; N52-N58 HydrophobicContact CB-CB 4.45Å | ||
| 59 | A | 97.1 | Very high | 96.9 | Very high | 48 Ų | 48 | 64.1 Ų | 64.1 | 40% | 0.397 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -140.1 | 148.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | N51 K57 | N51-A59 PolarHBondContact ND2-O 3.41Å; K57-A59 PolarHBondContact O-N 3Å |
| 60 | P | 97.5 | Very high | 96.3 | Very high | 38 Ų | 38 | 66.3 Ų | 66.3 | 25% | 0.247 | 32% | 0.322 | C | S | . | . | trans | -65 | 152.7 | 169.3 | 30.3 | -34.9 | 0 | 0 | 0 | 110.3 | N44 I47 Q48 F97 | N44-P60 HydrophobicContact CB-CB 4.08Å; I47-P60 HydrophobicContact CG2-CB 4.02Å; Q48-P60 HydrophobicContact CB-CB 4.36Å; P60-F97 HydrophobicContact CB-CD2 3.89Å; P60-F97 HydrophobicContact CB-CE2 4.44Å; P60-F97 HydrophobicContact CG-CD2 3.93Å; P60-F97 HydrophobicContact CG-CE2 4.17Å; P60-F97 WeakPolarHBondContact O-CE2 3.41Å | ||
| 61 | T | 97.1 | Very high | 95.8 | Very high | 31 Ų | 31 | 72.3 Ų | 72.3 | 19% | 0.19 | 35% | 0.354 | C | S | . | . | trans | -138.4 | 170.6 | 176.5 | -162.8 | 0 | 0 | 0 | 0 | 109.6 | I47 V63 L64 F97 | I47-T61 HydrophobicContact CD1-CG2 4.01Å; I47-T61 WeakPolarHBondContact CD1-O 2.99Å; I47-T61 HydrophobicContact CG1-CG2 4.05Å; T61-V63 WeakPolarHBondContact CG2-O 3.47Å; T61-L64 HydrophobicContact CG2-CD1 4.4Å; T61-L64 HydrophobicContact CG2-CD2 3.87Å; T61-L64 HydrophobicContact CG2-CG 3.77Å; T61-F97 WeakPolarHBondContact O-CB 3.27Å | ||
| 62 | D | 97.1 | Very high | 95.6 | Very high | 28 Ų | 28 | 73.2 Ų | 73.2 | 15% | 0.15 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -75.7 | -40.4 | 177.2 | 54.5 | -10.5 | 0 | 0 | 0 | 112.8 | G94 F97 V98 V116 | D62-G94 PolarHBondContact O-N 2.73Å; D62-F97 HydrophobicContact CB-CD1 3.82Å; D62-F97 HydrophobicContact CB-CE1 4.1Å; D62-V98 HydrophobicContact CB-CG2 3.74Å; D62-V116 HydrophobicContact CB-CG1 4.33Å |
| 63 | V | 97.9 | Very high | 95.2 | Very high | 11 Ų | 11 | 78.7 Ų | 78.7 | 7% | 0.067 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 147.6 | -178.4 | 62.2 | 0 | 0 | 0 | 0 | 113.6 | T61 I91 F92 L93 V116 | T61-V63 WeakPolarHBondContact CG2-O 3.47Å; V63-I91 HydrophobicContact CG2-CG2 3.44Å; V63-I91 VanDerWaalsContact CG2-CG2 3.44Å; V63-F92 CarbonylContact C-O 3.58Å; V63-F92 VanDerWaalsContact CA-O 3.28Å; V63-F92 WeakPolarHBondContact CA-O 3.41Å; V63-L93 HydrophobicContact CB-CD2 4.37Å; V63-L93 HydrophobicContact CG2-CD2 4.02Å; V63-V116 HydrophobicContact CB-CG1 3.58Å; V63-V116 HydrophobicContact CG1-CG1 3.94Å; V63-V116 HydrophobicContact CG2-CG1 4.26Å |
| 64 | L | 97.9 | Very high | 94.9 | Very high | 12 Ų | 12 | 75.6 Ų | 75.6 | 6% | 0.063 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 125 | 164.1 | -66.2 | 171.9 | 0 | 0 | 0 | 108.9 | I47 I50 N51 R55 T61 F66 F92 | I47-L64 HydrophobicContact CG1-CD1 3.95Å; I47-L64 HydrophobicContact CG1-CG 4.31Å; I50-L64 HydrophobicContact CB-CD1 3.95Å; I50-L64 HydrophobicContact CG2-CD1 3.55Å; N51-L64 HydrophobicContact CB-CD1 3.98Å; R55-L64 HydrophobicContact CG-CD2 4.15Å; T61-L64 HydrophobicContact CG2-CD1 4.4Å; T61-L64 HydrophobicContact CG2-CD2 3.87Å; T61-L64 HydrophobicContact CG2-CG 3.77Å; L64-F66 HydrophobicContact CB-CE2 3.81Å; L64-F66 HydrophobicContact CB-CZ 4.31Å; L64-F92 HydrophobicContact CB-CB 4.36Å; L64-F92 PolarHBondContact N-O 3.11Å; L64-F92 PolarHBondContact O-N 3.31Å |
| 65 | S | 97.9 | Very high | 94.5 | Very high | 7 Ų | 7 | 71.7 Ų | 71.7 | 5% | 0.049 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 136 | 176.9 | -66.2 | 0 | 0 | 0 | 0 | 111.4 | G120 | S65-G120 WeakPolarHBondContact OG-CA 3.13Å; S65-G120 PolarHBondContact OG-O 3.4Å |
| 66 | F | 97.4 | Very high | 94.4 | Very high | 47 Ų | 47 | 71.9 Ų | 71.9 | 21% | 0.206 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 93.4 | 178.7 | -64.3 | -87.1 | 0 | 0 | 0 | 108.6 | I50 Y54 L64 G89 D90 F92 L124 | I50-F66 HydrophobicContact CG2-CE2 4.05Å; I50-F66 HydrophobicContact CG2-CZ 3.68Å; Y54-F66 AromaticContact CD1-CE1 3.76Å; Y54-F66 HydrophobicContact CD1-CE1 3.76Å; Y54-F66 AromaticContact CD2-CE1 3.87Å; Y54-F66 HydrophobicContact CD2-CE1 3.87Å; Y54-F66 AromaticContact CD2-CZ 3.84Å; Y54-F66 HydrophobicContact CD2-CZ 3.84Å; Y54-F66 HydrophobicContact CE1-CE1 4.16Å; Y54-F66 HydrophobicContact CE2-CE1 4.26Å; Y54-F66 HydrophobicContact CE2-CZ 4.3Å; Y54-F66 AromaticContact CG-CE1 3.6Å; Y54-F66 HydrophobicContact CG-CE1 3.6Å; Y54-F66 AromaticContact CG-CZ 3.98Å; Y54-F66 HydrophobicContact CG-CZ 3.98Å; L64-F66 HydrophobicContact CB-CE2 3.81Å; L64-F66 HydrophobicContact CB-CZ 4.31Å; F66-G89 VanDerWaalsContact O-CA 3.31Å; F66-G89 WeakPolarHBondContact O-CA 3.35Å; F66-D90 HydrophobicContact CB-CB 4.46Å; F66-D90 PolarHBondContact N-O 2.94Å; F66-D90 PolarHBondContact O-N 3.42Å; F66-F92 AromaticContact CD2-CD2 3.64Å; F66-F92 HydrophobicContact CD2-CD2 3.64Å; F66-F92 AromaticContact CD2-CE2 3.83Å; F66-F92 HydrophobicContact CD2-CE2 3.83Å; F66-F92 AromaticContact CE2-CD2 3.52Å; F66-F92 HydrophobicContact CE2-CD2 3.52Å; F66-F92 AromaticContact CE2-CE2 3.87Å; F66-F92 HydrophobicContact CE2-CE2 3.87Å; F66-F92 HydrophobicContact CE2-CG 4.43Å; F66-L124 VanDerWaalsContact C-CD2 3.45Å; F66-L124 WeakPolarHBondContact O-CD2 3.46Å |
| 67 | P | 96.6 | Very high | 94 | Very high | 47 Ų | 47 | 67.6 Ų | 67.6 | 31% | 0.305 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 140.2 | -178.1 | 27.2 | -33.4 | 0 | 0 | 0 | 111.4 | L124 | P67-L124 HydrophobicContact CB-CD2 4.26Å |
| 68 | F | 95.3 | Very high | 93.7 | Very high | 97 Ų | 97 | 64.8 Ų | 64.8 | 43% | 0.425 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -73.4 | -32.6 | 165.8 | -175.1 | -93.6 | 0 | 0 | 0 | 111.4 | N87 L88 | F68-N87 HydrophobicContact CB-CB 4.43Å; F68-N87 VanDerWaalsContact CB-O 3.24Å; F68-N87 WeakPolarHBondContact CB-O 3.34Å; F68-N87 HydrophobicContact CD1-CB 4.37Å; F68-N87 WeakPolarHBondContact CD1-O 3.38Å; F68-N87 HydrophobicContact CD2-CB 3.96Å; F68-N87 HydrophobicContact CE2-CB 4.3Å; F68-N87 HydrophobicContact CG-CB 3.99Å; F68-N87 WeakPolarHBondContact CG-O 3.49Å; F68-L88 PolarHBondContact N-O 3.25Å |
| 69 | Y | 93.1 | Very high | 93.2 | Very high | 44 Ų | 44 | 65.1 Ų | 65.1 | 17% | 0.173 | 35% | 0.351 | C | S | . | . | trans | -106.1 | 97.4 | 177.7 | -61.3 | -81.2 | 0 | 0 | 0 | 110.4 | F35 D71 P78 E85 N87 | F35-Y69 HydrophobicContact CE1-CE2 4.16Å; Y69-D71 PolarHBondContact O-N 3.35Å; Y69-P78 HydrophobicContact CD1-CB 4.29Å; Y69-P78 HydrophobicContact CD2-CB 3.75Å; Y69-P78 HydrophobicContact CD2-CG 3.48Å; Y69-P78 VanDerWaalsContact CD2-CG 3.48Å; Y69-P78 HydrophobicContact CE1-CB 3.9Å; Y69-P78 HydrophobicContact CE2-CB 3.28Å; Y69-P78 HydrophobicContact CE2-CG 3.37Å; Y69-P78 HydrophobicContact CG-CB 4.2Å; Y69-P78 HydrophobicContact CG-CG 4.17Å; Y69-P78 WeakPolarHBondContact OH-CB 3.28Å; Y69-E85 PolarHBondContact OH-O 3.41Å; Y69-N87 WeakPolarHBondContact CE2-O 3.49Å | ||
| 70 | E | 87.4 | Confident | 92.7 | Very high | 153 Ų | 153 | 64.2 Ų | 64.2 | 72% | 0.715 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -34.1 | -174.6 | -62.6 | -172.7 | 168.7 | 0 | 0 | 113.6 | ||
| 71 | D | 87.9 | Confident | 92.1 | Very high | 156 Ų | 156 | 69.5 Ų | 69.5 | 83% | 0.834 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 16.1 | -175.1 | -63.9 | -47.2 | 0 | 0 | 0 | 114 | Y69 R73 | Y69-D71 PolarHBondContact O-N 3.35Å; D71-R73 PolarHBondContact O-N 3.46Å |
| 72 | L | 92.2 | Very high | 91.7 | Very high | 27 Ų | 27 | 73.7 Ų | 73.7 | 14% | 0.141 | 38% | 0.384 | C | S | . | . | trans | -65.8 | 131.6 | 177.9 | -171 | 64.4 | 0 | 0 | 0 | 109.8 | K76 P78 L125 G126 | L72-K76 HydrophobicContact CD1-CB 4.42Å; L72-P78 HydrophobicContact CD1-CG 4.27Å; L72-P78 HydrophobicContact CD2-CG 3.94Å; L72-L125 HydrophobicContact CD2-CD2 4.18Å; L72-G126 VanDerWaalsContact O-CA 3.29Å; L72-G126 WeakPolarHBondContact O-CA 3.3Å | ||
| 73 | R | 90.9 | Very high | 91 | Very high | 186 Ų | 186 | 83.1 Ų | 83.1 | 70% | 0.702 | 42% | 0.417 | S | S | * | . | trans | -92.9 | 144.4 | 176.1 | -63.5 | -166.1 | -170.6 | -124.5 | 1.7 | 111 | D71 K76 | D71-R73 PolarHBondContact O-N 3.46Å; R73-K76 PolarHBondContact O-N 2.69Å; R73-K76 VanDerWaalsContact O-N 3.14Å | ||
| 74 | P | 91.1 | Very high | 90.4 | Very high | 40 Ų | 40 | 88.6 Ų | 88.6 | 26% | 0.26 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.5 | 141.5 | 170.2 | -31.8 | 37.6 | 0 | 0 | 0 | 113.1 | K76 G126 Y127 E137 | P74-K76 PolarHBondContact O-N 3.36Å; P74-G126 WeakPolarHBondContact CD-O 3.49Å; P74-G126 WeakPolarHBondContact CG-O 3.44Å; P74-Y127 HydrophobicContact CB-CD1 3.9Å; P74-Y127 HydrophobicContact CB-CE1 3.7Å; P74-Y127 HydrophobicContact CB-CE2 4.35Å; P74-Y127 HydrophobicContact CB-CG 4.31Å; P74-Y127 HydrophobicContact CG-CD1 4.25Å; P74-Y127 HydrophobicContact CG-CG 4.41Å; P74-E137 WeakPolarHBondContact CB-OE1 3.14Å |
| 75 | G | 88.5 | Confident | 89.9 | Confident | 63 Ų | 63 | 90.5 Ų | 90.5 | 65% | 0.649 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | -5.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y127 | G75-Y127 PolarHBondContact N-OH 2.97Å; G75-Y127 VanDerWaalsContact N-OH 3.16Å |
| 76 | K | 89.9 | Confident | 89.6 | Confident | 137 Ų | 137 | 91.7 Ų | 91.7 | 60% | 0.596 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -103.8 | 137.9 | 173 | -63.7 | -171.5 | 178.9 | -177.1 | 0 | 110.7 | L72 R73 P74 | L72-K76 HydrophobicContact CD1-CB 4.42Å; R73-K76 PolarHBondContact O-N 2.69Å; R73-K76 VanDerWaalsContact O-N 3.14Å; P74-K76 PolarHBondContact O-N 3.36Å |
| 77 | L | 89.1 | Confident | 89.5 | Confident | 72 Ų | 72 | 91.7 Ų | 91.7 | 38% | 0.377 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -89.5 | 149.4 | 167.4 | -67.5 | -178.2 | 0 | 0 | 0 | 109.7 | I32 L125 | I32-L77 HydrophobicContact CG2-CD2 3.66Å; L77-L125 HydrophobicContact CD2-CD2 4.13Å |
| 78 | P | 88.1 | Confident | 89.5 | Confident | 6 Ų | 6 | 89.4 Ų | 89.4 | 4% | 0.039 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 144.8 | 173 | -17.4 | 26.4 | 0 | 0 | 0 | 112.2 | F35 Y69 L72 P80 L88 | F35-P78 HydrophobicContact CE1-CB 3.77Å; F35-P78 HydrophobicContact CE1-CG 3.86Å; F35-P78 HydrophobicContact CZ-CB 3.74Å; F35-P78 HydrophobicContact CZ-CG 3.81Å; Y69-P78 HydrophobicContact CD1-CB 4.29Å; Y69-P78 HydrophobicContact CD2-CB 3.75Å; Y69-P78 HydrophobicContact CD2-CG 3.48Å; Y69-P78 VanDerWaalsContact CD2-CG 3.48Å; Y69-P78 HydrophobicContact CE1-CB 3.9Å; Y69-P78 HydrophobicContact CE2-CB 3.28Å; Y69-P78 HydrophobicContact CE2-CG 3.37Å; Y69-P78 HydrophobicContact CG-CB 4.2Å; Y69-P78 HydrophobicContact CG-CG 4.17Å; Y69-P78 WeakPolarHBondContact OH-CB 3.28Å; L72-P78 HydrophobicContact CD1-CG 4.27Å; L72-P78 HydrophobicContact CD2-CG 3.94Å; P78-P80 WeakPolarHBondContact O-CD 3.13Å; P78-L88 HydrophobicContact CG-CD2 4.14Å |
| 79 | C | 86.9 | Confident | 89.5 | Confident | 117 Ų | 117 | 85 Ų | 85 | 79% | 0.791 | 43% | 0.43 | S | S | * | . | trans | -112.6 | 75.3 | 176.1 | -67.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 80 | P | 86.9 | Confident | 89.8 | Confident | 30 Ų | 30 | 86.2 Ų | 86.2 | 20% | 0.195 | 44% | 0.439 | C | S | . | . | trans | -66.9 | 139.1 | -178 | 24.2 | -30.9 | 0 | 0 | 0 | 111.4 | F35 P78 E85 L86 | F35-P80 HydrophobicContact CE1-CG 4.2Å; F35-P80 HydrophobicContact CZ-CG 4.42Å; P78-P80 WeakPolarHBondContact O-CD 3.13Å; P80-E85 VanDerWaalsContact CA-OE2 3.24Å; P80-E85 WeakPolarHBondContact CA-OE2 3.28Å; P80-E85 HydrophobicContact CB-CB 3.57Å; P80-L86 HydrophobicContact CB-CD2 4.25Å; P80-L86 HydrophobicContact CB-CG 4.35Å; P80-L86 HydrophobicContact CG-CD2 3.38Å; P80-L86 HydrophobicContact CG-CG 4.01Å | ||
| 81 | L | 85.6 | Confident | 90.3 | Very high | 148 Ų | 148 | 79 Ų | 79 | 78% | 0.775 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -88 | -30.3 | 175.2 | -63.6 | 176 | 0 | 0 | 0 | 111.5 | E85 | L81-E85 PolarHBondContact N-OE2 3.33Š|
| 82 | H | 87.8 | Confident | 90.8 | Very high | 119 Ų | 119 | 73.6 Ų | 73.6 | 55% | 0.551 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -124.9 | 164.7 | -177.7 | -58.8 | -70.8 | 0 | 0 | 0 | 112.1 | D84 E85 | H82-D84 WeakPolarHBondContact CB-OD1 3.31Å; H82-E85 IonicContact CD2-OE1 3.64Å; H82-E85 PolarHBondContact CD2-OE1 3.49Å; H82-E85 PolarHBondContact O-N 2.81Å |
| 83 | R | 83.4 | Confident | 91.1 | Very high | 226 Ų | 226 | 72.3 Ų | 72.3 | 85% | 0.853 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -71.5 | -33.8 | -175.3 | -80.4 | -169.1 | 176.8 | -154.9 | 1.2 | 113.3 | E85 L86 | R83-E85 PolarHBondContact O-N 3.47Å; R83-L86 HydrophobicContact CB-CD1 4.33Å; R83-L86 HydrophobicContact CG-CD1 4.28Å; R83-L86 WeakPolarHBondContact O-CB 3.32Å; R83-L86 PolarHBondContact O-N 3.15Å; R83-L86 VanDerWaalsContact O-N 3.15Å |
| 84 | D | 84.2 | Confident | 91.5 | Very high | 127 Ų | 127 | 63.4 Ų | 63.4 | 68% | 0.679 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -21.7 | 176.3 | 54.2 | -37 | 0 | 0 | 0 | 112.9 | H82 L86 | H82-D84 WeakPolarHBondContact CB-OD1 3.31Å; D84-L86 VanDerWaalsContact C-N 3.28Å; D84-L86 PolarHBondContact O-N 3.42Å |
| 85 | E | 87.5 | Confident | 91.8 | Very high | 51 Ų | 51 | 61.5 Ų | 61.5 | 24% | 0.238 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -8.6 | 172 | -65.6 | 173.2 | -151.8 | 0 | 0 | 113.2 | Y69 P80 L81 H82 R83 N87 | Y69-E85 PolarHBondContact OH-O 3.41Å; P80-E85 VanDerWaalsContact CA-OE2 3.24Å; P80-E85 WeakPolarHBondContact CA-OE2 3.28Å; P80-E85 HydrophobicContact CB-CB 3.57Å; L81-E85 PolarHBondContact N-OE2 3.33Å; H82-E85 IonicContact CD2-OE1 3.64Å; H82-E85 PolarHBondContact CD2-OE1 3.49Å; H82-E85 PolarHBondContact O-N 2.81Å; R83-E85 PolarHBondContact O-N 3.47Å; E85-N87 PolarHBondContact O-N 3.48Å |
| 86 | L | 92.6 | Very high | 92.3 | Very high | 32 Ų | 32 | 60.7 Ų | 60.7 | 17% | 0.168 | 30% | 0.301 | C | S | . | . | trans | -74.4 | 56 | 179.3 | -64.6 | 157.7 | 0 | 0 | 0 | 111.2 | M1 K34 F35 D36 P80 R83 D84 | M1-L86 HydrophobicContact CE-CB 3.13Å; M1-L86 HydrophobicContact CE-CD1 4.32Å; M1-L86 HydrophobicContact CE-CG 4.23Å; M1-L86 WeakPolarHBondContact CE-O 3.49Å; M1-L86 HydrophobicContact SD-CB 3.54Å; M1-L86 VanDerWaalsContact SD-CB 3.54Å; M1-L86 HydrophobicContact SD-CD1 3.59Å; M1-L86 VanDerWaalsContact SD-CD1 3.59Å; M1-L86 HydrophobicContact SD-CD2 4.28Å; M1-L86 HydrophobicContact SD-CG 4.01Å; K34-L86 HydrophobicContact CD-CD2 4.36Å; K34-L86 WeakPolarHBondContact O-CD2 3.43Å; F35-L86 HydrophobicContact CE1-CD2 4.34Å; D36-L86 PolarHBondContact N-O 2.83Å; P80-L86 HydrophobicContact CB-CD2 4.25Å; P80-L86 HydrophobicContact CB-CG 4.35Å; P80-L86 HydrophobicContact CG-CD2 3.38Å; P80-L86 HydrophobicContact CG-CG 4.01Å; R83-L86 HydrophobicContact CB-CD1 4.33Å; R83-L86 HydrophobicContact CG-CD1 4.28Å; R83-L86 WeakPolarHBondContact O-CB 3.32Å; R83-L86 PolarHBondContact O-N 3.15Å; R83-L86 VanDerWaalsContact O-N 3.15Å; D84-L86 VanDerWaalsContact C-N 3.28Å; D84-L86 PolarHBondContact O-N 3.42Å | ||
| 87 | N | 94.8 | Very high | 92.7 | Very high | 47 Ų | 47 | 56.6 Ų | 56.6 | 25% | 0.251 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 130.6 | 179.9 | -171.4 | -10.6 | 0 | 0 | 0 | 109.2 | D36 F68 Y69 E85 G89 | D36-N87 PolarHBondContact O-OD1 3Å; F68-N87 HydrophobicContact CB-CB 4.43Å; F68-N87 VanDerWaalsContact CB-O 3.24Å; F68-N87 WeakPolarHBondContact CB-O 3.34Å; F68-N87 HydrophobicContact CD1-CB 4.37Å; F68-N87 WeakPolarHBondContact CD1-O 3.38Å; F68-N87 HydrophobicContact CD2-CB 3.96Å; F68-N87 HydrophobicContact CE2-CB 4.3Å; F68-N87 HydrophobicContact CG-CB 3.99Å; F68-N87 WeakPolarHBondContact CG-O 3.49Å; Y69-N87 WeakPolarHBondContact CE2-O 3.49Å; E85-N87 PolarHBondContact O-N 3.48Å; N87-G89 WeakPolarHBondContact OD1-CA 3.25Å; N87-G89 PolarHBondContact OD1-N 3.02Å |
| 88 | L | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -22.7 | 173.5 | -82.6 | 171 | 0 | 0 | 0 | 113 | I32 F35 D36 F68 P78 L124 L125 | I32-L88 HydrophobicContact CB-CD1 3.87Å; I32-L88 HydrophobicContact CD1-CD1 3.48Å; I32-L88 VanDerWaalsContact CD1-CD1 3.48Å; I32-L88 HydrophobicContact CG1-CD1 4.18Å; I32-L88 HydrophobicContact CG2-CD1 4.15Å; F35-L88 HydrophobicContact CB-CB 4.38Å; F35-L88 HydrophobicContact CB-CD1 3.66Å; F35-L88 HydrophobicContact CB-CG 3.54Å; F35-L88 HydrophobicContact CD1-CD2 4.48Å; F35-L88 HydrophobicContact CD1-CG 4.14Å; F35-L88 HydrophobicContact CD2-CD1 4.5Å; F35-L88 HydrophobicContact CD2-CG 4.47Å; F35-L88 HydrophobicContact CG-CD1 4.16Å; F35-L88 HydrophobicContact CG-CD2 4.38Å; F35-L88 HydrophobicContact CG-CG 3.82Å; D36-L88 PolarHBondContact O-N 3.2Å; F68-L88 PolarHBondContact N-O 3.25Å; P78-L88 HydrophobicContact CG-CD2 4.14Å; L88-L124 HydrophobicContact CB-CD1 4.17Å; L88-L125 HydrophobicContact CD2-CD2 3.76Å |
| 89 | G | 96.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 113.1 | -157.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G38 F66 N87 | G38-G89 PolarHBondContact N-O 2.92Å; F66-G89 VanDerWaalsContact O-CA 3.31Å; F66-G89 WeakPolarHBondContact O-CA 3.35Å; N87-G89 WeakPolarHBondContact OD1-CA 3.25Å; N87-G89 PolarHBondContact OD1-N 3.02Å |
| 90 | D | 98.2 | Very high | 94 | Very high | 70 Ų | 70 | 52.8 Ų | 52.8 | 37% | 0.374 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 141 | -168.4 | -67.2 | -57.7 | 0 | 0 | 0 | 112.3 | G38 I40 F66 F92 | G38-D90 WeakPolarHBondContact CA-OD1 3.32Å; G38-D90 CarbonylContact O-C 3.57Å; I40-D90 HydrophobicContact CD1-CB 4.07Å; F66-D90 HydrophobicContact CB-CB 4.46Å; F66-D90 PolarHBondContact N-O 2.94Å; F66-D90 PolarHBondContact O-N 3.42Å; D90-F92 HydrophobicContact CB-CE2 4.17Å |
| 91 | I | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 120.8 | 174.3 | -55.9 | 178 | 0 | 0 | 0 | 108.5 | L37 G38 I39 I40 V63 L93 I121 L124 | L37-I91 HydrophobicContact CD1-CD1 4.06Å; L37-I91 HydrophobicContact CD1-CG1 4.28Å; G38-I91 PolarHBondContact O-N 3.49Å; I39-I91 WeakPolarHBondContact CA-O 3.47Å; I39-I91 HydrophobicContact CD1-CB 3.85Å; I39-I91 HydrophobicContact CD1-CD1 3.82Å; I39-I91 HydrophobicContact CD1-CG1 4.15Å; I40-I91 PolarHBondContact N-O 3.12Å; V63-I91 HydrophobicContact CG2-CG2 3.44Å; V63-I91 VanDerWaalsContact CG2-CG2 3.44Å; I91-L93 HydrophobicContact CG2-CD2 3.79Å; I91-L93 HydrophobicContact CG2-CG 4.2Å; I91-I121 HydrophobicContact CD1-CB 4.5Å; I91-I121 HydrophobicContact CD1-CG1 3.68Å; I91-L124 HydrophobicContact CD1-CD1 3.85Å; I91-L124 HydrophobicContact CD1-CG 4.4Å; I91-L124 HydrophobicContact CG1-CD1 3.7Å; I91-L124 HydrophobicContact CG1-CG 4.18Å |
| 92 | F | 98.7 | Very high | 94.7 | Very high | 43 Ų | 43 | 47.4 Ų | 47.4 | 19% | 0.189 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 119 | 171.2 | -71.8 | -101 | 0 | 0 | 0 | 109.5 | I40 V42 I50 V63 L64 F66 D90 | I40-F92 HydrophobicContact CB-CD1 3.83Å; I40-F92 HydrophobicContact CB-CE1 3.9Å; I40-F92 HydrophobicContact CB-CG 4.35Å; I40-F92 HydrophobicContact CB-CZ 4.46Å; I40-F92 HydrophobicContact CD1-CE1 4.48Å; I40-F92 HydrophobicContact CD1-CE2 4.2Å; I40-F92 HydrophobicContact CD1-CZ 4.19Å; I40-F92 HydrophobicContact CG1-CE1 4.26Å; I40-F92 HydrophobicContact CG1-CZ 4.39Å; I40-F92 HydrophobicContact CG2-CD1 3.94Å; I40-F92 HydrophobicContact CG2-CE1 3.84Å; I40-F92 CarbonylContact O-C 3.54Å; I40-F92 VanDerWaalsContact O-CA 3.32Å; I40-F92 WeakPolarHBondContact O-CA 3.36Å; V42-F92 HydrophobicContact CG1-CD1 4.13Å; V42-F92 HydrophobicContact CG2-CB 4.49Å; I50-F92 HydrophobicContact CD1-CD1 3.52Å; I50-F92 HydrophobicContact CD1-CE1 3.73Å; I50-F92 HydrophobicContact CD1-CG 4.17Å; V63-F92 CarbonylContact C-O 3.58Å; V63-F92 VanDerWaalsContact CA-O 3.28Å; V63-F92 WeakPolarHBondContact CA-O 3.41Å; L64-F92 HydrophobicContact CB-CB 4.36Å; L64-F92 PolarHBondContact N-O 3.11Å; L64-F92 PolarHBondContact O-N 3.31Å; F66-F92 AromaticContact CD2-CD2 3.64Å; F66-F92 HydrophobicContact CD2-CD2 3.64Å; F66-F92 AromaticContact CD2-CE2 3.83Å; F66-F92 HydrophobicContact CD2-CE2 3.83Å; F66-F92 AromaticContact CE2-CD2 3.52Å; F66-F92 HydrophobicContact CE2-CD2 3.52Å; F66-F92 AromaticContact CE2-CE2 3.87Å; F66-F92 HydrophobicContact CE2-CE2 3.87Å; F66-F92 HydrophobicContact CE2-CG 4.43Å; D90-F92 HydrophobicContact CB-CE2 4.17Å |
| 93 | L | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 118.4 | 179.5 | -61.8 | 176.5 | 0 | 0 | 0 | 110.2 | L19 I39 I40 V42 V63 I91 V95 V116 | L19-L93 HydrophobicContact CD2-CD1 4.23Å; I39-L93 HydrophobicContact CG2-CD1 3.63Å; I39-L93 HydrophobicContact CG2-CG 4.29Å; I40-L93 PolarHBondContact O-N 3.34Å; V42-L93 WeakPolarHBondContact CG2-O 3.35Å; V42-L93 PolarHBondContact N-O 3.35Å; V63-L93 HydrophobicContact CB-CD2 4.37Å; V63-L93 HydrophobicContact CG2-CD2 4.02Å; I91-L93 HydrophobicContact CG2-CD2 3.79Å; I91-L93 HydrophobicContact CG2-CG 4.2Å; L93-V95 VanDerWaalsContact C-N 3.29Å; L93-V95 HydrophobicContact CB-CG2 4.34Å; L93-V95 PolarHBondContact O-N 2.91Å; L93-V116 HydrophobicContact CD2-CB 4.45Å; L93-V116 HydrophobicContact CD2-CG1 3.64Å |
| 94 | G | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 74.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | I47 D62 E96 F97 V98 | I47-G94 VanDerWaalsContact CD1-N 3.26Å; D62-G94 PolarHBondContact O-N 2.73Å; G94-E96 VanDerWaalsContact C-N 3.28Å; G94-E96 PolarHBondContact O-N 3.01Å; G94-F97 WeakPolarHBondContact O-CB 3.5Å; G94-F97 PolarHBondContact O-N 2.85Å; G94-V98 WeakPolarHBondContact O-CG2 3.45Å; G94-V98 PolarHBondContact O-N 2.78Å |
| 95 | V | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.2 | -37.7 | -170 | -178.1 | 0 | 0 | 0 | 0 | 112.3 | Q9 V12 C41 V42 L93 M99 L113 | Q9-V95 HydrophobicContact CG-CB 4.34Å; V12-V95 HydrophobicContact CB-CG1 3.8Å; V12-V95 HydrophobicContact CG1-CG1 3.9Å; V12-V95 HydrophobicContact CG2-CG1 4.35Å; C41-V95 HydrophobicContact CB-CG2 3.56Å; V42-V95 PolarHBondContact O-N 3.09Å; L93-V95 VanDerWaalsContact C-N 3.29Å; L93-V95 HydrophobicContact CB-CG2 4.34Å; L93-V95 PolarHBondContact O-N 2.91Å; V95-M99 WeakPolarHBondContact O-CB 3.48Å; V95-M99 PolarHBondContact O-N 2.83Å; V95-L113 HydrophobicContact CG1-CD1 4.42Å; V95-L113 HydrophobicContact CG2-CD2 4.27Å |
| 96 | E | 98.1 | Very high | 96.1 | Very high | 45 Ų | 45 | 46.8 Ų | 46.8 | 21% | 0.21 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.7 | -41.5 | 175.9 | -169.9 | -169.1 | 153.7 | 0 | 0 | 111.8 | V11 V12 D43 N44 G94 M99 N100 | V11-E96 HydrophobicContact CB-CG 4.49Å; V11-E96 HydrophobicContact CG1-CG 3.91Å; V12-E96 HydrophobicContact CG2-CB 4.34Å; D43-E96 WeakPolarHBondContact CB-OE2 3.12Å; N44-E96 WeakPolarHBondContact CB-OE2 3.42Å; N44-E96 VanDerWaalsContact CG-CD 3.46Å; N44-E96 PolarHBondContact N-OE2 2.98Å; N44-E96 WeakPolarHBondContact ND2-CG 3.46Å; N44-E96 PolarHBondContact ND2-OE1 3.01Å; G94-E96 VanDerWaalsContact C-N 3.28Å; G94-E96 PolarHBondContact O-N 3.01Å; E96-M99 PolarHBondContact O-N 2.95Å; E96-N100 PolarHBondContact O-N 2.83Å; E96-N100 PolarHBondContact O-ND2 2.8Å |
| 97 | F | 97.8 | Very high | 96.1 | Very high | 51 Ų | 51 | 49.4 Ų | 49.4 | 22% | 0.224 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.4 | -49.7 | 176.2 | -171.6 | -99.3 | 0 | 0 | 0 | 111.2 | N44 P60 T61 D62 G94 M99 N100 Q101 | N44-F97 WeakPolarHBondContact OD1-CA 3.49Å; N44-F97 VanDerWaalsContact OD1-CB 3.25Å; N44-F97 WeakPolarHBondContact OD1-CB 3.34Å; N44-F97 PolarHBondContact OD1-N 3.43Å; P60-F97 HydrophobicContact CB-CD2 3.89Å; P60-F97 HydrophobicContact CB-CE2 4.44Å; P60-F97 HydrophobicContact CG-CD2 3.93Å; P60-F97 HydrophobicContact CG-CE2 4.17Å; P60-F97 WeakPolarHBondContact O-CE2 3.41Å; T61-F97 WeakPolarHBondContact O-CB 3.27Å; D62-F97 HydrophobicContact CB-CD1 3.82Å; D62-F97 HydrophobicContact CB-CE1 4.1Å; G94-F97 WeakPolarHBondContact O-CB 3.5Å; G94-F97 PolarHBondContact O-N 2.85Å; F97-M99 VanDerWaalsContact C-N 3.32Å; F97-M99 PolarHBondContact O-N 2.93Å; F97-N100 WeakPolarHBondContact O-CB 3.43Å; F97-N100 PolarHBondContact O-N 3.04Å; F97-Q101 HydrophobicContact CD1-CG 4.39Å; F97-Q101 HydrophobicContact CE1-CG 4.28Å; F97-Q101 PolarHBondContact O-N 3.42Å |
| 98 | V | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.3 | -44.3 | 177.3 | 176.8 | 0 | 0 | 0 | 0 | 110.6 | D62 G94 N100 Q101 C102 L109 T112 L113 V116 | D62-V98 HydrophobicContact CB-CG2 3.74Å; G94-V98 WeakPolarHBondContact O-CG2 3.45Å; G94-V98 PolarHBondContact O-N 2.78Å; V98-N100 VanDerWaalsContact C-N 3.33Å; V98-N100 PolarHBondContact O-N 3.45Å; V98-Q101 WeakPolarHBondContact O-CB 3.12Å; V98-Q101 PolarHBondContact O-N 3.02Å; V98-Q101 VanDerWaalsContact O-N 3.16Å; V98-C102 PolarHBondContact O-N 3.29Å; V98-C102 PolarHBondContact O-SG 2.91Å; V98-L109 HydrophobicContact CB-CD1 4.46Å; V98-L109 HydrophobicContact CG1-CD1 3.93Å; V98-T112 HydrophobicContact CG1-CG2 3.55Å; V98-L113 HydrophobicContact CB-CD2 4.23Å; V98-L113 HydrophobicContact CG1-CD2 4.07Å; V98-L113 HydrophobicContact CG1-CG 4.27Å; V98-L113 HydrophobicContact CG2-CD2 4.27Å; V98-V116 HydrophobicContact CG1-CG2 4.46Å; V98-V116 HydrophobicContact CG2-CG2 4.04Å |
| 99 | M | 97.6 | Very high | 96 | Very high | 55 Ų | 55 | 52 Ų | 52 | 27% | 0.271 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.3 | -43.2 | 176.7 | -176.7 | 62.9 | -173.1 | 0 | 0 | 112.2 | V12 V95 E96 F97 Q101 C102 Q103 L109 | V12-M99 HydrophobicContact CG1-CB 4.19Å; V12-M99 HydrophobicContact CG1-CG 4.13Å; V12-M99 HydrophobicContact CG1-SD 4.39Å; V12-M99 HydrophobicContact CG2-CB 3.86Å; V12-M99 HydrophobicContact CG2-CG 4.08Å; V95-M99 WeakPolarHBondContact O-CB 3.48Å; V95-M99 PolarHBondContact O-N 2.83Å; E96-M99 PolarHBondContact O-N 2.95Å; F97-M99 VanDerWaalsContact C-N 3.32Å; F97-M99 PolarHBondContact O-N 2.93Å; M99-Q101 VanDerWaalsContact C-N 3.31Å; M99-Q101 PolarHBondContact O-N 3.17Å; M99-C102 PolarHBondContact O-N 2.99Å; M99-Q103 HydrophobicContact CE-CG 4.03Å; M99-Q103 WeakPolarHBondContact O-CG 3.36Å; M99-Q103 PolarHBondContact O-N 3.25Å; M99-L109 HydrophobicContact CB-CD1 4.14Å; M99-L109 HydrophobicContact SD-CB 4.12Å; M99-L109 HydrophobicContact SD-CD1 4.2Å; M99-L109 HydrophobicContact SD-CD2 3.83Å; M99-L109 HydrophobicContact SD-CG 4.25Å |
| 100 | N | 96.2 | Very high | 95.9 | Very high | 61 Ų | 61 | 53 Ų | 53 | 33% | 0.326 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.4 | -36.3 | 177.6 | -68.4 | -17.9 | 0 | 0 | 0 | 111.9 | E96 F97 V98 K104 | E96-N100 PolarHBondContact O-N 2.83Å; E96-N100 PolarHBondContact O-ND2 2.8Å; F97-N100 WeakPolarHBondContact O-CB 3.43Å; F97-N100 PolarHBondContact O-N 3.04Å; V98-N100 VanDerWaalsContact C-N 3.33Å; V98-N100 PolarHBondContact O-N 3.45Å; N100-K104 WeakPolarHBondContact O-CG 3.31Å; N100-K104 PolarHBondContact O-N 3.16Å |
| 101 | Q | 94.1 | Very high | 95.8 | Very high | 60 Ų | 60 | 50 Ų | 50 | 28% | 0.28 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.2 | -46.8 | 172.6 | -69.9 | -172.1 | -8 | 0 | 0 | 111.6 | F97 V98 M99 Q103 K104 E105 | F97-Q101 HydrophobicContact CD1-CG 4.39Å; F97-Q101 HydrophobicContact CE1-CG 4.28Å; F97-Q101 PolarHBondContact O-N 3.42Å; V98-Q101 WeakPolarHBondContact O-CB 3.12Å; V98-Q101 PolarHBondContact O-N 3.02Å; V98-Q101 VanDerWaalsContact O-N 3.16Å; M99-Q101 VanDerWaalsContact C-N 3.31Å; M99-Q101 PolarHBondContact O-N 3.17Å; Q101-Q103 PolarHBondContact O-N 2.82Å; Q101-K104 PolarHBondContact O-N 3.17Å; Q101-E105 PolarHBondContact O-N 3.02Å |
| 102 | C | 94.7 | Very high | 95.7 | Very high | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.034 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.2 | -39.7 | 177.7 | -67.7 | 0 | 0 | 0 | 0 | 112.1 | V98 M99 S106 L107 T112 | V98-C102 PolarHBondContact O-N 3.29Å; V98-C102 PolarHBondContact O-SG 2.91Å; M99-C102 PolarHBondContact O-N 2.99Å; C102-S106 CarbonylContact O-C 3.55Å; C102-S106 VanDerWaalsContact O-CA 3.29Å; C102-S106 WeakPolarHBondContact O-CA 3.37Å; C102-S106 PolarHBondContact O-N 3.15Å; C102-L107 HydrophobicContact CB-CB 4.33Å; C102-L107 WeakPolarHBondContact CB-O 3.49Å; C102-L107 PolarHBondContact O-N 2.92Å; C102-T112 VanDerWaalsContact SG-CB 3.52Å; C102-T112 PolarHBondContact SG-OG1 3.39Å |
| 103 | Q | 94.8 | Very high | 95.6 | Very high | 123 Ų | 123 | 48.8 Ų | 48.8 | 58% | 0.575 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -64.6 | -38.9 | 176.3 | -74.3 | 176 | -13.4 | 0 | 0 | 112.8 | M99 Q101 | M99-Q103 HydrophobicContact CE-CG 4.03Å; M99-Q103 WeakPolarHBondContact O-CG 3.36Å; M99-Q103 PolarHBondContact O-N 3.25Å; Q101-Q103 PolarHBondContact O-N 2.82Å |
| 104 | K | 93.6 | Very high | 95.6 | Very high | 177 Ų | 177 | 48.9 Ų | 48.9 | 77% | 0.77 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -70.7 | -39.1 | 178.9 | -69 | 172.1 | -175.9 | -178.9 | 0 | 112.1 | N100 Q101 | N100-K104 WeakPolarHBondContact O-CG 3.31Å; N100-K104 PolarHBondContact O-N 3.16Å; Q101-K104 PolarHBondContact O-N 3.17Å |
| 105 | E | 90.3 | Very high | 95.5 | Very high | 96 Ų | 96 | 49.1 Ų | 49.1 | 45% | 0.449 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -96.3 | 2 | -176 | -61.2 | -168.5 | -176.5 | 0 | 0 | 113.6 | Q101 L107 K162 | Q101-E105 PolarHBondContact O-N 3.02Å; E105-L107 VanDerWaalsContact C-N 3.33Å; E105-L107 HydrophobicContact CB-CD1 3.84Å; E105-L107 HydrophobicContact CB-CG 3.79Å; E105-L107 PolarHBondContact O-N 3.11Å; E105-L107 WeakPolarHBondContact OE2-CD1 3.4Å; E105-K162 IonicContact OE1-NZ 2.9Å; E105-K162 IonicContact OE2-NZ 2.72Å; E105-K162 PolarHBondContact OE2-NZ 3.43Å |
| 106 | S | 92.4 | Very high | 95.5 | Very high | 114 Ų | 114 | 49.1 Ų | 49.1 | 80% | 0.797 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 42.5 | -175.7 | -57.4 | 0 | 0 | 0 | 0 | 113.8 | C102 | C102-S106 CarbonylContact O-C 3.55Å; C102-S106 VanDerWaalsContact O-CA 3.29Å; C102-S106 WeakPolarHBondContact O-CA 3.37Å; C102-S106 PolarHBondContact O-N 3.15Å |
| 107 | L | 92.9 | Very high | 95.5 | Very high | 86 Ų | 86 | 47 Ų | 47 | 45% | 0.45 | 24% | 0.241 | S | C | . | . | trans | -100.4 | 157.1 | -179.1 | -59.6 | 176 | 0 | 0 | 0 | 112.9 | C102 E105 L109 | C102-L107 HydrophobicContact CB-CB 4.33Å; C102-L107 WeakPolarHBondContact CB-O 3.49Å; C102-L107 PolarHBondContact O-N 2.92Å; E105-L107 VanDerWaalsContact C-N 3.33Å; E105-L107 HydrophobicContact CB-CD1 3.84Å; E105-L107 HydrophobicContact CB-CG 3.79Å; E105-L107 PolarHBondContact O-N 3.11Å; E105-L107 WeakPolarHBondContact OE2-CD1 3.4Å; L107-L109 PolarHBondContact O-N 2.97Å | ||
| 108 | D | 93.8 | Very high | 95.5 | Very high | 83 Ų | 83 | 44.7 Ų | 44.7 | 44% | 0.444 | 23% | 0.231 | S | C | . | . | trans | -75.8 | 119.6 | 171.6 | 173.9 | 48.3 | 0 | 0 | 0 | 111 | R18 H110 G111 T112 | R18-D108 IonicContact NH2-OD2 2.97Å; D108-H110 PolarHBondContact O-N 3.36Å; D108-H110 WeakPolarHBondContact OD2-CB 3.21Å; D108-G111 PolarHBondContact O-N 2.89Å; D108-G111 PolarHBondContact OD2-N 3.16Å; D108-T112 PolarHBondContact O-N 2.9Å; D108-T112 PolarHBondContact O-OG1 2.86Å; D108-T112 VanDerWaalsContact O-OG1 3.1Å | ||
| 109 | L | 95.2 | Very high | 95.5 | Very high | 19 Ų | 19 | 45.3 Ų | 45.3 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -51.3 | -42.7 | 177.6 | 174.1 | 64.5 | 0 | 0 | 0 | 112.7 | V12 V98 M99 L107 T112 L113 | V12-L109 HydrophobicContact CG1-CD2 3.57Å; V98-L109 HydrophobicContact CB-CD1 4.46Å; V98-L109 HydrophobicContact CG1-CD1 3.93Å; M99-L109 HydrophobicContact CB-CD1 4.14Å; M99-L109 HydrophobicContact SD-CB 4.12Å; M99-L109 HydrophobicContact SD-CD1 4.2Å; M99-L109 HydrophobicContact SD-CD2 3.83Å; M99-L109 HydrophobicContact SD-CG 4.25Å; L107-L109 PolarHBondContact O-N 2.97Å; L109-T112 PolarHBondContact O-N 3.03Å; L109-L113 HydrophobicContact CD1-CD1 3.89Å; L109-L113 HydrophobicContact CD1-CG 3.93Å; L109-L113 HydrophobicContact CG-CD1 3.93Å; L109-L113 HydrophobicContact CG-CG 4.35Å; L109-L113 WeakPolarHBondContact O-CB 3.07Å; L109-L113 VanDerWaalsContact O-CG 3.29Å; L109-L113 WeakPolarHBondContact O-CG 3.36Å; L109-L113 PolarHBondContact O-N 2.72Å |
| 110 | H | 94.7 | Very high | 95.5 | Very high | 26 Ų | 26 | 42.7 Ų | 42.7 | 12% | 0.12 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.3 | -42.3 | -175.9 | -72.2 | -65.2 | 0 | 0 | 0 | 112.4 | R18 D108 T114 | R18-H110 VanDerWaalsContact NH1-CB 3.25Å; R18-H110 PolarHBondContact NH1-CD2 3.29Å; R18-H110 VanDerWaalsContact NH1-CG 3.25Å; D108-H110 PolarHBondContact O-N 3.36Å; D108-H110 WeakPolarHBondContact OD2-CB 3.21Å; H110-T114 PolarHBondContact O-N 2.9Å; H110-T114 VanDerWaalsContact O-N 3.07Å; H110-T114 PolarHBondContact O-OG1 3.15Å |
| 111 | G | 95.4 | Very high | 95.5 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.6 | -47.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D108 L113 T114 A115 | D108-G111 PolarHBondContact O-N 2.89Å; D108-G111 PolarHBondContact OD2-N 3.16Å; G111-L113 PolarHBondContact O-N 3.47Å; G111-T114 WeakPolarHBondContact O-CB 3.37Å; G111-T114 PolarHBondContact O-N 3.03Å; G111-T114 VanDerWaalsContact O-N 3.11Å; G111-A115 PolarHBondContact O-N 3.42Å |
| 112 | T | 96.5 | Very high | 95.7 | Very high | 17 Ų | 17 | 37 Ų | 37 | 10% | 0.104 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 178.4 | -52.6 | 0 | 0 | 0 | 0 | 111.7 | V98 C102 D108 L109 T114 A115 V116 | V98-T112 HydrophobicContact CG1-CG2 3.55Å; C102-T112 VanDerWaalsContact SG-CB 3.52Å; C102-T112 PolarHBondContact SG-OG1 3.39Å; D108-T112 PolarHBondContact O-N 2.9Å; D108-T112 PolarHBondContact O-OG1 2.86Å; D108-T112 VanDerWaalsContact O-OG1 3.1Å; L109-T112 PolarHBondContact O-N 3.03Å; T112-T114 PolarHBondContact O-N 3.4Å; T112-A115 PolarHBondContact O-N 3.44Å; T112-A115 VanDerWaalsContact O-N 3.11Å; T112-V116 HydrophobicContact CG2-CG2 4.11Å; T112-V116 WeakPolarHBondContact O-CB 3.24Å; T112-V116 WeakPolarHBondContact O-CG2 3.4Å; T112-V116 PolarHBondContact O-N 2.93Å |
| 113 | L | 97.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.1 | -32 | 174.8 | -75 | 173.1 | 0 | 0 | 0 | 112.8 | L14 L19 V95 V98 L109 G111 T117 | L14-L113 HydrophobicContact CD1-CD1 3.5Å; L14-L113 VanDerWaalsContact CD1-CD1 3.5Å; L19-L113 HydrophobicContact CD1-CB 4.44Å; V95-L113 HydrophobicContact CG1-CD1 4.42Å; V95-L113 HydrophobicContact CG2-CD2 4.27Å; V98-L113 HydrophobicContact CB-CD2 4.23Å; V98-L113 HydrophobicContact CG1-CD2 4.07Å; V98-L113 HydrophobicContact CG1-CG 4.27Å; V98-L113 HydrophobicContact CG2-CD2 4.27Å; L109-L113 HydrophobicContact CD1-CD1 3.89Å; L109-L113 HydrophobicContact CD1-CG 3.93Å; L109-L113 HydrophobicContact CG-CD1 3.93Å; L109-L113 HydrophobicContact CG-CG 4.35Å; L109-L113 WeakPolarHBondContact O-CB 3.07Å; L109-L113 VanDerWaalsContact O-CG 3.29Å; L109-L113 WeakPolarHBondContact O-CG 3.36Å; L109-L113 PolarHBondContact O-N 2.72Å; G111-L113 PolarHBondContact O-N 3.47Å; L113-T117 VanDerWaalsContact O-CB 3.3Å; L113-T117 WeakPolarHBondContact O-CB 3.43Å; L113-T117 PolarHBondContact O-N 3.36Å; L113-T117 PolarHBondContact O-OG1 3.2Å |
| 114 | T | 97.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.8 | -46.4 | 174.5 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | D22 L26 H110 G111 T112 T117 A118 Y149 L157 | D22-T114 HydrophobicContact CB-CG2 4.11Å; D22-T114 PolarHBondContact OD2-OG1 3.08Å; L26-T114 HydrophobicContact CD1-CG2 4.11Å; L26-T114 HydrophobicContact CD2-CG2 4.46Å; L26-T114 HydrophobicContact CG-CG2 4.47Å; H110-T114 PolarHBondContact O-N 2.9Å; H110-T114 VanDerWaalsContact O-N 3.07Å; H110-T114 PolarHBondContact O-OG1 3.15Å; G111-T114 WeakPolarHBondContact O-CB 3.37Å; G111-T114 PolarHBondContact O-N 3.03Å; G111-T114 VanDerWaalsContact O-N 3.11Å; T112-T114 PolarHBondContact O-N 3.4Å; T114-T117 PolarHBondContact O-N 2.9Å; T114-A118 PolarHBondContact O-N 2.93Å; T114-Y149 HydrophobicContact CG2-CD1 4.39Å; T114-Y149 HydrophobicContact CG2-CD2 4.33Å; T114-Y149 HydrophobicContact CG2-CE1 3.93Å; T114-Y149 HydrophobicContact CG2-CE2 3.88Å; T114-L157 HydrophobicContact CG2-CD1 3.61Å |
| 115 | A | 97.2 | Very high | 96 | Very high | 6 Ų | 6 | 24.8 Ų | 24.8 | 5% | 0.05 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.8 | -44.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G111 T112 T117 A118 H119 L146 L160 | G111-A115 PolarHBondContact O-N 3.42Å; T112-A115 PolarHBondContact O-N 3.44Å; T112-A115 VanDerWaalsContact O-N 3.11Å; A115-T117 VanDerWaalsContact C-N 3.3Å; A115-T117 PolarHBondContact O-N 3.36Å; A115-A118 WeakPolarHBondContact O-CB 3.45Å; A115-A118 PolarHBondContact O-N 3.18Å; A115-A118 VanDerWaalsContact O-N 3.15Å; A115-H119 PolarHBondContact O-N 2.87Å; A115-L146 HydrophobicContact CB-CD1 4.33Å; A115-L146 HydrophobicContact CB-CD2 4.43Å; A115-L160 HydrophobicContact CB-CG 4.39Å |
| 116 | V | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60 | -39.5 | 174.4 | 179.5 | 0 | 0 | 0 | 0 | 111.8 | D62 V63 L93 V98 T112 G120 L160 | D62-V116 HydrophobicContact CB-CG1 4.33Å; V63-V116 HydrophobicContact CB-CG1 3.58Å; V63-V116 HydrophobicContact CG1-CG1 3.94Å; V63-V116 HydrophobicContact CG2-CG1 4.26Å; L93-V116 HydrophobicContact CD2-CB 4.45Å; L93-V116 HydrophobicContact CD2-CG1 3.64Å; V98-V116 HydrophobicContact CG1-CG2 4.46Å; V98-V116 HydrophobicContact CG2-CG2 4.04Å; T112-V116 HydrophobicContact CG2-CG2 4.11Å; T112-V116 WeakPolarHBondContact O-CB 3.24Å; T112-V116 WeakPolarHBondContact O-CG2 3.4Å; T112-V116 PolarHBondContact O-N 2.93Å; V116-G120 PolarHBondContact O-N 3.42Å; V116-L160 VanDerWaalsContact CA-CD1 3.49Å; V116-L160 HydrophobicContact CB-CD1 4.02Å; V116-L160 HydrophobicContact CG1-CD1 4.43Å; V116-L160 HydrophobicContact CG2-CD1 3.7Å; V116-L160 HydrophobicContact CG2-CD2 3.94Å; V116-L160 HydrophobicContact CG2-CG 4.23Å |
| 117 | T | 98.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -67.4 | -41.3 | 175.5 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | V23 L26 I39 L113 T114 A115 G120 I121 | V23-T117 HydrophobicContact CG2-CG2 3.86Å; L26-T117 HydrophobicContact CD1-CG2 3.97Å; I39-T117 HydrophobicContact CD1-CG2 4.13Å; L113-T117 VanDerWaalsContact O-CB 3.3Å; L113-T117 WeakPolarHBondContact O-CB 3.43Å; L113-T117 PolarHBondContact O-N 3.36Å; L113-T117 PolarHBondContact O-OG1 3.2Å; T114-T117 PolarHBondContact O-N 2.9Å; A115-T117 VanDerWaalsContact C-N 3.3Å; A115-T117 PolarHBondContact O-N 3.36Å; T117-G120 PolarHBondContact O-N 2.9Å; T117-I121 HydrophobicContact CG2-CD1 4.12Å; T117-I121 WeakPolarHBondContact O-CG1 3.49Å; T117-I121 PolarHBondContact O-N 2.89Å |
| 118 | A | 97.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.008 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.1 | -46.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L26 T114 A115 G120 I121 C122 I145 L146 | L26-A118 HydrophobicContact CD1-CB 4.1Å; L26-A118 HydrophobicContact CD2-CB 4.01Å; T114-A118 PolarHBondContact O-N 2.93Å; A115-A118 WeakPolarHBondContact O-CB 3.45Å; A115-A118 PolarHBondContact O-N 3.18Å; A115-A118 VanDerWaalsContact O-N 3.15Å; A118-G120 PolarHBondContact O-N 2.97Å; A118-I121 PolarHBondContact O-N 2.8Å; A118-C122 PolarHBondContact O-N 2.94Å; A118-C122 PolarHBondContact O-SG 2.67Å; A118-I145 HydrophobicContact CB-CG2 4Å; A118-L146 HydrophobicContact CB-CD2 4.22Å |
| 119 | H | 97.1 | Very high | 96.1 | Very high | 14 Ų | 14 | 14.9 Ų | 14.9 | 7% | 0.065 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -55.8 | -48.3 | 171.6 | 178.5 | 93.9 | 0 | 0 | 0 | 111.7 | A115 I121 C122 H123 H129 M138 E142 L160 | A115-H119 PolarHBondContact O-N 2.87Å; H119-I121 VanDerWaalsContact C-N 3.31Å; H119-I121 PolarHBondContact O-N 3.37Å; H119-C122 VanDerWaalsContact O-CB 3.3Å; H119-C122 WeakPolarHBondContact O-CB 3.25Å; H119-C122 PolarHBondContact O-N 2.99Å; H119-C122 VanDerWaalsContact O-N 3.09Å; H119-H123 AromaticContact CD2-CD2 3.71Å; H119-H123 AromaticContact CD2-NE2 3.78Å; H119-H123 AromaticContact CE1-NE2 3.72Å; H119-H123 AromaticContact NE2-CD2 3.51Å; H119-H123 AromaticContact NE2-NE2 3.07Å; H119-H123 PolarHBondContact NE2-NE2 2.96Å; H119-H123 PolarHBondContact O-N 3.48Å; H119-H123 VanDerWaalsContact O-N 3.15Å; H119-H129 AromaticContact CE1-NE2 3.81Å; H119-M138 WeakPolarHBondContact CE1-CE 3.31Å; H119-M138 VanDerWaalsContact ND1-CE 3.28Å; H119-M138 WeakPolarHBondContact ND1-CE 3.44Å; H119-E142 WeakPolarHBondContact CA-OE1 3.24Å; H119-E142 VanDerWaalsContact CB-OE1 3.23Å; H119-E142 WeakPolarHBondContact CB-OE1 3.27Å; H119-E142 IonicContact CE1-OE1 2.92Å; H119-E142 IonicContact CG-OE1 3.17Å; H119-E142 VanDerWaalsContact CG-OE1 3.25Å; H119-E142 IonicContact ND1-OE1 3.12Å; H119-E142 PolarHBondContact ND1-OE1 3.32Å; H119-L160 HydrophobicContact CB-CD1 3.76Å |
| 120 | G | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.4 | -40.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S65 V116 T117 A118 H123 L124 | S65-G120 WeakPolarHBondContact OG-CA 3.13Å; S65-G120 PolarHBondContact OG-O 3.4Å; V116-G120 PolarHBondContact O-N 3.42Å; T117-G120 PolarHBondContact O-N 2.9Å; A118-G120 PolarHBondContact O-N 2.97Å; G120-H123 PolarHBondContact O-N 3.06Å; G120-L124 WeakPolarHBondContact O-CG 3.33Å; G120-L124 PolarHBondContact O-N 3.27Å |
| 121 | I | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -68.1 | -37.8 | 175.8 | -64.7 | 166 | 0 | 0 | 0 | 111.2 | L26 L30 I32 L37 I91 T117 A118 H119 H123 L124 L125 | L26-I121 HydrophobicContact CB-CD1 4.15Å; L26-I121 HydrophobicContact CD1-CD1 4.39Å; L30-I121 HydrophobicContact CD1-CB 4.26Å; L30-I121 HydrophobicContact CD1-CG2 3.44Å; L30-I121 VanDerWaalsContact CD1-CG2 3.44Å; I32-I121 HydrophobicContact CD1-CG2 3.66Å; L37-I121 HydrophobicContact CD2-CD1 4.04Å; L37-I121 HydrophobicContact CD2-CG1 4.1Å; I91-I121 HydrophobicContact CD1-CB 4.5Å; I91-I121 HydrophobicContact CD1-CG1 3.68Å; T117-I121 HydrophobicContact CG2-CD1 4.12Å; T117-I121 WeakPolarHBondContact O-CG1 3.49Å; T117-I121 PolarHBondContact O-N 2.89Å; A118-I121 PolarHBondContact O-N 2.8Å; H119-I121 VanDerWaalsContact C-N 3.31Å; H119-I121 PolarHBondContact O-N 3.37Å; I121-H123 VanDerWaalsContact C-N 3.27Å; I121-H123 PolarHBondContact O-N 3.33Å; I121-L124 PolarHBondContact O-N 3.13Å; I121-L124 VanDerWaalsContact O-N 3.08Å; I121-L125 HydrophobicContact CG2-CD1 3.96Å; I121-L125 HydrophobicContact CG2-CG 4.24Å; I121-L125 WeakPolarHBondContact O-CG 3.17Å; I121-L125 PolarHBondContact O-N 3.37Å |
| 122 | C | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -54.7 | -45.4 | 173.3 | -73.5 | 0 | 0 | 0 | 0 | 110.8 | A118 H119 L124 L125 G126 Y127 M138 I145 | A118-C122 PolarHBondContact O-N 2.94Å; A118-C122 PolarHBondContact O-SG 2.67Å; H119-C122 VanDerWaalsContact O-CB 3.3Å; H119-C122 WeakPolarHBondContact O-CB 3.25Å; H119-C122 PolarHBondContact O-N 2.99Å; H119-C122 VanDerWaalsContact O-N 3.09Å; C122-L124 PolarHBondContact O-N 3.01Å; C122-L125 CarbonylContact O-C 3.45Å; C122-L125 WeakPolarHBondContact O-CA 3.4Å; C122-L125 PolarHBondContact O-N 3.08Å; C122-G126 PolarHBondContact O-N 3.43Å; C122-Y127 HydrophobicContact CB-CD2 4.25Å; C122-Y127 HydrophobicContact CB-CG 4.3Å; C122-Y127 WeakPolarHBondContact O-CB 3.12Å; C122-Y127 WeakPolarHBondContact O-CD2 3.49Å; C122-Y127 PolarHBondContact O-N 3.23Å; C122-M138 HydrophobicContact CB-CE 3.82Å; C122-M138 HydrophobicContact CB-CG 4.41Å; C122-I145 WeakPolarHBondContact SG-CD1 3.42Å |
| 123 | H | 96.4 | Very high | 95.3 | Very high | 46 Ų | 46 | 33 Ų | 33 | 21% | 0.213 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.3 | -40.3 | 174.1 | -75.3 | -51.2 | 0 | 0 | 0 | 113.9 | H119 G120 I121 L125 G126 Y127 H129 | H119-H123 AromaticContact CD2-CD2 3.71Å; H119-H123 AromaticContact CD2-NE2 3.78Å; H119-H123 AromaticContact CE1-NE2 3.72Å; H119-H123 AromaticContact NE2-CD2 3.51Å; H119-H123 AromaticContact NE2-NE2 3.07Å; H119-H123 PolarHBondContact NE2-NE2 2.96Å; H119-H123 PolarHBondContact O-N 3.48Å; H119-H123 VanDerWaalsContact O-N 3.15Å; G120-H123 PolarHBondContact O-N 3.06Å; I121-H123 VanDerWaalsContact C-N 3.27Å; I121-H123 PolarHBondContact O-N 3.33Å; H123-L125 PolarHBondContact O-N 3.21Å; H123-G126 PolarHBondContact O-N 3.32Å; H123-G126 VanDerWaalsContact O-N 3.12Å; H123-Y127 WeakPolarHBondContact CA-O 3.23Å; H123-Y127 PolarHBondContact ND1-O 2.92Å; H123-H129 AromaticContact CE1-CD2 3.42Å; H123-H129 PolarHBondContact CE1-CD2 2.87Å; H123-H129 VanDerWaalsContact CE1-CD2 3.42Å; H123-H129 AromaticContact CE1-NE2 3.42Å; H123-H129 PolarHBondContact CE1-NE2 3.48Å; H123-H129 AromaticContact NE2-CD2 3.85Å; H123-H129 AromaticContact NE2-NE2 3.49Å; H123-H129 PolarHBondContact NE2-NE2 3.25Å |
| 124 | L | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.2 | -24.3 | 174.3 | -58.6 | -175 | 0 | 0 | 0 | 112.7 | L37 F66 P67 L88 I91 G120 I121 C122 G126 | L37-L124 HydrophobicContact CD1-CD1 3.34Å; F66-L124 VanDerWaalsContact C-CD2 3.45Å; F66-L124 WeakPolarHBondContact O-CD2 3.46Å; P67-L124 HydrophobicContact CB-CD2 4.26Å; L88-L124 HydrophobicContact CB-CD1 4.17Å; I91-L124 HydrophobicContact CD1-CD1 3.85Å; I91-L124 HydrophobicContact CD1-CG 4.4Å; I91-L124 HydrophobicContact CG1-CD1 3.7Å; I91-L124 HydrophobicContact CG1-CG 4.18Å; G120-L124 WeakPolarHBondContact O-CG 3.33Å; G120-L124 PolarHBondContact O-N 3.27Å; I121-L124 PolarHBondContact O-N 3.13Å; I121-L124 VanDerWaalsContact O-N 3.08Å; C122-L124 PolarHBondContact O-N 3.01Å; L124-G126 VanDerWaalsContact C-N 3.31Å |
| 125 | L | 96.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 10.2 | 177.2 | -67.2 | 177.5 | 0 | 0 | 0 | 113.5 | L30 I32 L72 L77 L88 I121 C122 H123 Y127 | L30-L125 HydrophobicContact CD1-CD1 4.25Å; L30-L125 HydrophobicContact CD2-CD1 4.22Å; I32-L125 HydrophobicContact CG2-CD2 4.26Å; L72-L125 HydrophobicContact CD2-CD2 4.18Å; L77-L125 HydrophobicContact CD2-CD2 4.13Å; L88-L125 HydrophobicContact CD2-CD2 3.76Å; I121-L125 HydrophobicContact CG2-CD1 3.96Å; I121-L125 HydrophobicContact CG2-CG 4.24Å; I121-L125 WeakPolarHBondContact O-CG 3.17Å; I121-L125 PolarHBondContact O-N 3.37Å; C122-L125 CarbonylContact O-C 3.45Å; C122-L125 WeakPolarHBondContact O-CA 3.4Å; C122-L125 PolarHBondContact O-N 3.08Å; H123-L125 PolarHBondContact O-N 3.21Å; L125-Y127 HydrophobicContact CB-CD2 3.99Å; L125-Y127 HydrophobicContact CB-CE2 4.11Å |
| 126 | G | 95.1 | Very high | 94.7 | Very high | 16 Ų | 16 | 39.8 Ų | 39.8 | 17% | 0.165 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 3.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L72 P74 C122 H123 L124 | L72-G126 VanDerWaalsContact O-CA 3.29Å; L72-G126 WeakPolarHBondContact O-CA 3.3Å; P74-G126 WeakPolarHBondContact CD-O 3.49Å; P74-G126 WeakPolarHBondContact CG-O 3.44Å; C122-G126 PolarHBondContact O-N 3.43Å; H123-G126 PolarHBondContact O-N 3.32Å; H123-G126 VanDerWaalsContact O-N 3.12Å; L124-G126 VanDerWaalsContact C-N 3.31Å |
| 127 | Y | 94.9 | Very high | 94.6 | Very high | 13 Ų | 13 | 43.8 Ų | 43.8 | 5% | 0.051 | 21% | 0.214 | C | C | . | . | trans | -72 | 135.1 | 172.7 | -65.8 | -96.4 | 0 | 0 | 0 | 110.2 | P74 G75 C122 H123 L125 E137 M138 R141 | P74-Y127 HydrophobicContact CB-CD1 3.9Å; P74-Y127 HydrophobicContact CB-CE1 3.7Å; P74-Y127 HydrophobicContact CB-CE2 4.35Å; P74-Y127 HydrophobicContact CB-CG 4.31Å; P74-Y127 HydrophobicContact CG-CD1 4.25Å; P74-Y127 HydrophobicContact CG-CG 4.41Å; G75-Y127 PolarHBondContact N-OH 2.97Å; G75-Y127 VanDerWaalsContact N-OH 3.16Å; C122-Y127 HydrophobicContact CB-CD2 4.25Å; C122-Y127 HydrophobicContact CB-CG 4.3Å; C122-Y127 WeakPolarHBondContact O-CB 3.12Å; C122-Y127 WeakPolarHBondContact O-CD2 3.49Å; C122-Y127 PolarHBondContact O-N 3.23Å; H123-Y127 WeakPolarHBondContact CA-O 3.23Å; H123-Y127 PolarHBondContact ND1-O 2.92Å; L125-Y127 HydrophobicContact CB-CD2 3.99Å; L125-Y127 HydrophobicContact CB-CE2 4.11Å; Y127-E137 HydrophobicContact CD1-CG 4.27Å; Y127-E137 HydrophobicContact CE1-CG 3.99Å; Y127-M138 HydrophobicContact CD1-CB 4.33Å; Y127-R141 HydrophobicContact CD1-CB 4.08Å; Y127-R141 HydrophobicContact CD1-CG 4.35Å; Y127-R141 HydrophobicContact CD2-CG 4.44Å; Y127-R141 HydrophobicContact CE1-CB 3.65Å; Y127-R141 HydrophobicContact CE1-CG 3.78Å; Y127-R141 HydrophobicContact CE2-CG 3.89Å; Y127-R141 WeakPolarHBondContact OH-CD 3.28Å | ||
| 128 | R | 92.2 | Very high | 94.4 | Very high | 121 Ų | 121 | 43.8 Ų | 43.8 | 46% | 0.457 | 21% | 0.214 | S | C | . | . | trans | -126.4 | 172.8 | 177.2 | -63.3 | -175.1 | 179.9 | -128.6 | 4.4 | 108.8 | E130 E134 M138 | R128-E130 IonicContact NH1-OE1 3.42Å; R128-E130 PolarHBondContact NH1-OE1 2.8Å; R128-E134 WeakPolarHBondContact CB-OE2 3.46Å; R128-E134 CarbonylContact O-C 3.3Å; R128-E134 VanDerWaalsContact O-C 3.3Å; R128-E134 WeakPolarHBondContact O-CB 3.26Å; R128-E134 VanDerWaalsContact O-O 3.06Å; R128-M138 WeakPolarHBondContact O-CB 3.26Å | ||
| 129 | H | 90.8 | Very high | 94.3 | Very high | 20 Ų | 20 | 44.2 Ų | 44.2 | 9% | 0.093 | 22% | 0.216 | C | C | . | . | trans | -150.1 | 38.4 | 176.3 | 59.5 | 78.3 | 0 | 0 | 0 | 110.8 | H119 H123 W135 M138 M161 E167 | H119-H129 AromaticContact CE1-NE2 3.81Å; H123-H129 AromaticContact CE1-CD2 3.42Å; H123-H129 PolarHBondContact CE1-CD2 2.87Å; H123-H129 VanDerWaalsContact CE1-CD2 3.42Å; H123-H129 AromaticContact CE1-NE2 3.42Å; H123-H129 PolarHBondContact CE1-NE2 3.48Å; H123-H129 AromaticContact NE2-CD2 3.85Å; H123-H129 AromaticContact NE2-NE2 3.49Å; H123-H129 PolarHBondContact NE2-NE2 3.25Å; H129-W135 HydrophobicContact CB-CB 3.95Å; H129-W135 HydrophobicContact CB-CG 4.38Å; H129-M138 HydrophobicContact CB-SD 4.31Å; H129-M138 VanDerWaalsContact CD2-SD 3.56Å; H129-M161 HydrophobicContact CB-CE 3.55Å; H129-E167 IonicContact CE1-OE1 3.82Å; H129-E167 PolarHBondContact CE1-OE1 3.35Å; H129-E167 IonicContact NE2-OE1 3.24Å | ||
| 130 | E | 88.6 | Confident | 94.2 | Very high | 121 Ų | 121 | 50.3 Ų | 50.3 | 57% | 0.565 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -80.2 | -30.9 | 178.8 | -61.6 | 174.9 | -153.6 | 0 | 0 | 110.5 | R128 E134 | R128-E130 IonicContact NH1-OE1 3.42Å; R128-E130 PolarHBondContact NH1-OE1 2.8Å; E130-E134 WeakPolarHBondContact CB-OE2 3.48Å; E130-E134 PolarHBondContact N-OE2 2.88Å |
| 131 | T | 91.4 | Very high | 94 | Very high | 57 Ų | 57 | 53.2 Ų | 53.2 | 35% | 0.35 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -108.7 | 165.3 | 171.1 | 87.8 | 0 | 0 | 0 | 0 | 112.4 | E133 E134 W135 | T131-E133 VanDerWaalsContact C-N 3.31Å; T131-E133 WeakPolarHBondContact CB-OE2 3.5Å; T131-E133 PolarHBondContact O-N 3.15Å; T131-E133 PolarHBondContact OG1-N 3.09Å; T131-E133 PolarHBondContact OG1-OE2 3.44Å; T131-E134 PolarHBondContact N-OE2 2.95Å; T131-E134 PolarHBondContact O-N 2.97Å; T131-E134 PolarHBondContact OG1-N 2.63Å; T131-W135 VanDerWaalsContact O-CB 3.26Å; T131-W135 WeakPolarHBondContact O-CB 3.48Å; T131-W135 PolarHBondContact O-N 3.36Å |
| 132 | E | 91.2 | Very high | 94 | Very high | 130 Ų | 130 | 53.3 Ų | 53.3 | 61% | 0.607 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.5 | -37.9 | 177.9 | -174.2 | 173.3 | -172.8 | 0 | 0 | 111.8 | W135 A136 | E132-W135 PolarHBondContact O-N 3.28Å; E132-A136 WeakPolarHBondContact O-CB 3.45Å; E132-A136 PolarHBondContact O-N 3.1Å |
| 133 | E | 92.4 | Very high | 93.9 | Very high | 140 Ų | 140 | 60.6 Ų | 60.6 | 65% | 0.654 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.4 | -47.1 | 176.9 | -58.8 | 77.2 | -168.4 | 0 | 0 | 111.6 | T131 W135 A136 E137 | T131-E133 VanDerWaalsContact C-N 3.31Å; T131-E133 WeakPolarHBondContact CB-OE2 3.5Å; T131-E133 PolarHBondContact O-N 3.15Å; T131-E133 PolarHBondContact OG1-N 3.09Å; T131-E133 PolarHBondContact OG1-OE2 3.44Å; E133-W135 VanDerWaalsContact C-N 3.33Å; E133-A136 PolarHBondContact O-N 2.65Å; E133-E137 PolarHBondContact O-N 3.05Å |
| 134 | E | 93.2 | Very high | 93.9 | Very high | 59 Ų | 59 | 63.5 Ų | 63.5 | 28% | 0.276 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 176.1 | -67.9 | -176.4 | 153 | 0 | 0 | 111 | R128 E130 T131 A136 E137 M138 | R128-E134 WeakPolarHBondContact CB-OE2 3.46Å; R128-E134 CarbonylContact O-C 3.3Å; R128-E134 VanDerWaalsContact O-C 3.3Å; R128-E134 WeakPolarHBondContact O-CB 3.26Å; R128-E134 VanDerWaalsContact O-O 3.06Å; E130-E134 WeakPolarHBondContact CB-OE2 3.48Å; E130-E134 PolarHBondContact N-OE2 2.88Å; T131-E134 PolarHBondContact N-OE2 2.95Å; T131-E134 PolarHBondContact O-N 2.97Å; T131-E134 PolarHBondContact OG1-N 2.63Å; E134-A136 VanDerWaalsContact C-N 3.32Å; E134-A136 PolarHBondContact O-N 3.17Å; E134-E137 PolarHBondContact O-N 3Å; E134-M138 WeakPolarHBondContact O-CB 3.36Å; E134-M138 PolarHBondContact O-N 3.5Å |
| 135 | W | 93.6 | Very high | 93.8 | Very high | 43 Ų | 43 | 63.5 Ų | 63.5 | 16% | 0.163 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 176.4 | 178.4 | 99.4 | 0 | 0 | 0 | 111.8 | H129 T131 E132 E133 M138 L139 M161 A163 F164 | H129-W135 HydrophobicContact CB-CB 3.95Å; H129-W135 HydrophobicContact CB-CG 4.38Å; T131-W135 VanDerWaalsContact O-CB 3.26Å; T131-W135 WeakPolarHBondContact O-CB 3.48Å; T131-W135 PolarHBondContact O-N 3.36Å; E132-W135 PolarHBondContact O-N 3.28Å; E133-W135 VanDerWaalsContact C-N 3.33Å; W135-M138 PolarHBondContact O-N 3Å; W135-L139 HydrophobicContact CE3-CD2 4.42Å; W135-L139 HydrophobicContact CH2-CD2 3.33Å; W135-L139 HydrophobicContact CZ2-CD2 3.78Å; W135-L139 HydrophobicContact CZ3-CD2 3.7Å; W135-L139 VanDerWaalsContact O-CB 3.22Å; W135-L139 WeakPolarHBondContact O-CB 3.38Å; W135-L139 PolarHBondContact O-N 2.98Å; W135-M161 HydrophobicContact CB-CE 4.23Å; W135-M161 HydrophobicContact CD2-CE 4.19Å; W135-M161 HydrophobicContact CG-CE 3.55Å; W135-A163 PolarHBondContact NE1-O 3.37Å; W135-F164 HydrophobicContact CB-CD2 3.58Å; W135-F164 HydrophobicContact CB-CE2 4.04Å; W135-F164 AromaticContact CD1-CD2 3.65Å; W135-F164 HydrophobicContact CD2-CB 3.97Å; W135-F164 HydrophobicContact CD2-CD2 4.18Å; W135-F164 HydrophobicContact CE3-CB 4.33Å; W135-F164 HydrophobicContact CG-CB 4.21Å; W135-F164 AromaticContact CG-CD2 3.54Å; W135-F164 HydrophobicContact CG-CD2 3.54Å; W135-F164 HydrophobicContact CG-CE2 4.43Å; W135-F164 HydrophobicContact CG-CG 4.36Å; W135-F164 HydrophobicContact CZ2-CB 4.49Å; W135-F164 VanDerWaalsContact CZ2-N 3.3Å |
| 136 | A | 93.6 | Very high | 93.9 | Very high | 49 Ų | 49 | 63.5 Ų | 63.5 | 41% | 0.405 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E132 E133 E134 Q140 | E132-A136 WeakPolarHBondContact O-CB 3.45Å; E132-A136 PolarHBondContact O-N 3.1Å; E133-A136 PolarHBondContact O-N 2.65Å; E134-A136 VanDerWaalsContact C-N 3.32Å; E134-A136 PolarHBondContact O-N 3.17Å; A136-Q140 WeakPolarHBondContact O-CB 3.27Å; A136-Q140 PolarHBondContact O-N 3.18Å |
| 137 | E | 94.8 | Very high | 94 | Very high | 85 Ų | 85 | 66.1 Ų | 66.1 | 40% | 0.397 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 175.9 | -172.9 | 179.8 | -167.7 | 0 | 0 | 111.4 | P74 Y127 E133 E134 Q140 R141 | P74-E137 WeakPolarHBondContact CB-OE1 3.14Å; Y127-E137 HydrophobicContact CD1-CG 4.27Å; Y127-E137 HydrophobicContact CE1-CG 3.99Å; E133-E137 PolarHBondContact O-N 3.05Å; E134-E137 PolarHBondContact O-N 3Å; E137-Q140 PolarHBondContact O-N 3.19Å; E137-R141 PolarHBondContact O-N 2.83Å |
| 138 | M | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 178.3 | -175.1 | 162 | 170.2 | 0 | 0 | 112.1 | H119 C122 Y127 R128 H129 E134 W135 Q140 R141 E142 M161 | H119-M138 WeakPolarHBondContact CE1-CE 3.31Å; H119-M138 VanDerWaalsContact ND1-CE 3.28Å; H119-M138 WeakPolarHBondContact ND1-CE 3.44Å; C122-M138 HydrophobicContact CB-CE 3.82Å; C122-M138 HydrophobicContact CB-CG 4.41Å; Y127-M138 HydrophobicContact CD1-CB 4.33Å; R128-M138 WeakPolarHBondContact O-CB 3.26Å; H129-M138 HydrophobicContact CB-SD 4.31Å; H129-M138 VanDerWaalsContact CD2-SD 3.56Å; E134-M138 WeakPolarHBondContact O-CB 3.36Å; E134-M138 PolarHBondContact O-N 3.5Å; W135-M138 PolarHBondContact O-N 3Å; M138-Q140 VanDerWaalsContact C-N 3.33Å; M138-Q140 PolarHBondContact O-N 3.19Å; M138-R141 WeakPolarHBondContact O-CA 3.42Å; M138-R141 WeakPolarHBondContact O-CB 3.34Å; M138-R141 PolarHBondContact O-N 3.4Å; M138-R141 VanDerWaalsContact O-N 3.09Å; M138-E142 WeakPolarHBondContact O-CG 3.44Å; M138-E142 PolarHBondContact O-N 3.48Å; M138-M161 HydrophobicContact CB-CE 4.31Å; M138-M161 HydrophobicContact CB-SD 4.43Å; M138-M161 HydrophobicContact CE-SD 4.16Å; M138-M161 HydrophobicContact CG-CE 4.36Å; M138-M161 HydrophobicContact CG-SD 3.89Å; M138-M161 HydrophobicContact SD-SD 4.2Å |
| 139 | L | 94.6 | Very high | 94.4 | Very high | 10 Ų | 10 | 62 Ų | 62 | 5% | 0.052 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 175.4 | 176.7 | 62.4 | 0 | 0 | 0 | 111.6 | W135 R141 E142 R143 P159 M161 | W135-L139 HydrophobicContact CE3-CD2 4.42Å; W135-L139 HydrophobicContact CH2-CD2 3.33Å; W135-L139 HydrophobicContact CZ2-CD2 3.78Å; W135-L139 HydrophobicContact CZ3-CD2 3.7Å; W135-L139 VanDerWaalsContact O-CB 3.22Å; W135-L139 WeakPolarHBondContact O-CB 3.38Å; W135-L139 PolarHBondContact O-N 2.98Å; L139-R141 PolarHBondContact O-N 2.98Å; L139-E142 PolarHBondContact O-N 3.03Å; L139-R143 HydrophobicContact CD1-CG 4.32Å; L139-R143 WeakPolarHBondContact O-CB 3.3Å; L139-R143 WeakPolarHBondContact O-CG 3.35Å; L139-R143 PolarHBondContact O-N 2.9Å; L139-P159 HydrophobicContact CD1-CB 3.76Å; L139-P159 HydrophobicContact CD1-CG 4.06Å; L139-M161 HydrophobicContact CD1-CB 4.23Å; L139-M161 WeakPolarHBondContact CD1-O 3.29Å |
| 140 | Q | 94.8 | Very high | 94.7 | Very high | 143 Ų | 143 | 62.4 Ų | 62.4 | 67% | 0.668 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -59.6 | -41 | 175 | -173.2 | 179.9 | 30.5 | 0 | 0 | 110.7 | A136 E137 M138 Y144 | A136-Q140 WeakPolarHBondContact O-CB 3.27Å; A136-Q140 PolarHBondContact O-N 3.18Å; E137-Q140 PolarHBondContact O-N 3.19Å; M138-Q140 VanDerWaalsContact C-N 3.33Å; M138-Q140 PolarHBondContact O-N 3.19Å; Q140-Y144 PolarHBondContact O-N 3.42Å |
| 141 | R | 95.1 | Very high | 95.1 | Very high | 61 Ų | 61 | 64.6 Ų | 64.6 | 23% | 0.23 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66 | -45.4 | 178 | -170.2 | 61.2 | 172.6 | 176.3 | -1.4 | 112.3 | L30 Y127 E137 M138 L139 R143 Y144 I145 | L30-R141 VanDerWaalsContact CD2-NH2 3.26Å; Y127-R141 HydrophobicContact CD1-CB 4.08Å; Y127-R141 HydrophobicContact CD1-CG 4.35Å; Y127-R141 HydrophobicContact CD2-CG 4.44Å; Y127-R141 HydrophobicContact CE1-CB 3.65Å; Y127-R141 HydrophobicContact CE1-CG 3.78Å; Y127-R141 HydrophobicContact CE2-CG 3.89Å; Y127-R141 WeakPolarHBondContact OH-CD 3.28Å; E137-R141 PolarHBondContact O-N 2.83Å; M138-R141 WeakPolarHBondContact O-CA 3.42Å; M138-R141 WeakPolarHBondContact O-CB 3.34Å; M138-R141 PolarHBondContact O-N 3.4Å; M138-R141 VanDerWaalsContact O-N 3.09Å; L139-R141 PolarHBondContact O-N 2.98Å; R141-R143 PolarHBondContact O-N 3.49Å; R141-Y144 WeakPolarHBondContact O-CB 3.38Å; R141-Y144 PolarHBondContact O-N 3.15Å; R141-I145 HydrophobicContact CG-CD1 3.98Å; R141-I145 WeakPolarHBondContact O-CD1 3.49Å; R141-I145 VanDerWaalsContact O-CG1 3.26Å; R141-I145 WeakPolarHBondContact O-CG1 3.41Å; R141-I145 PolarHBondContact O-N 3.12Å |
| 142 | E | 95.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.009 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.1 | -47 | 175.3 | -72.8 | -168.7 | 171.1 | 0 | 0 | 112.1 | H119 M138 L139 Y144 I145 L146 P159 L160 | H119-E142 WeakPolarHBondContact CA-OE1 3.24Å; H119-E142 VanDerWaalsContact CB-OE1 3.23Å; H119-E142 WeakPolarHBondContact CB-OE1 3.27Å; H119-E142 IonicContact CE1-OE1 2.92Å; H119-E142 IonicContact CG-OE1 3.17Å; H119-E142 VanDerWaalsContact CG-OE1 3.25Å; H119-E142 IonicContact ND1-OE1 3.12Å; H119-E142 PolarHBondContact ND1-OE1 3.32Å; M138-E142 WeakPolarHBondContact O-CG 3.44Å; M138-E142 PolarHBondContact O-N 3.48Å; L139-E142 PolarHBondContact O-N 3.03Å; E142-Y144 VanDerWaalsContact C-N 3.29Å; E142-Y144 PolarHBondContact O-N 3.12Å; E142-I145 PolarHBondContact O-N 3.07Å; E142-L146 WeakPolarHBondContact O-CB 3.5Å; E142-L146 WeakPolarHBondContact O-CG 3.4Å; E142-L146 PolarHBondContact O-N 3.16Å; E142-P159 HydrophobicContact CB-CB 4.18Å; E142-P159 WeakPolarHBondContact OE2-CB 3.37Å; E142-L160 PolarHBondContact OE2-N 3.32Å |
| 143 | R | 95.6 | Very high | 95.5 | Very high | 153 Ų | 153 | 62.2 Ų | 62.2 | 58% | 0.577 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -56.4 | -44.8 | 176.8 | -77 | 176.3 | 173.6 | 171.4 | 0.2 | 111.6 | L139 R141 S147 P159 | L139-R143 HydrophobicContact CD1-CG 4.32Å; L139-R143 WeakPolarHBondContact O-CB 3.3Å; L139-R143 WeakPolarHBondContact O-CG 3.35Å; L139-R143 PolarHBondContact O-N 2.9Å; R141-R143 PolarHBondContact O-N 3.49Å; R143-S147 WeakPolarHBondContact O-CB 3.49Å; R143-S147 PolarHBondContact O-N 3.39Å; R143-P159 HydrophobicContact CB-CG 4.48Å; R143-P159 HydrophobicContact CG-CG 3.5Å; R143-P159 VanDerWaalsContact CG-CG 3.5Å |
| 144 | Y | 96 | Very high | 95.5 | Very high | 107 Ų | 107 | 58.5 Ų | 58.5 | 42% | 0.42 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.3 | -50.6 | 176.2 | 170 | -100.1 | 0 | 0 | 0 | 111.6 | I29 Q140 R141 E142 L146 S147 E148 | I29-Y144 HydrophobicContact CG2-CE1 4.23Å; Q140-Y144 PolarHBondContact O-N 3.42Å; R141-Y144 WeakPolarHBondContact O-CB 3.38Å; R141-Y144 PolarHBondContact O-N 3.15Å; E142-Y144 VanDerWaalsContact C-N 3.29Å; E142-Y144 PolarHBondContact O-N 3.12Å; Y144-L146 PolarHBondContact O-N 3.36Å; Y144-S147 PolarHBondContact O-N 3.09Å; Y144-E148 HydrophobicContact CD2-CG 4.36Å; Y144-E148 HydrophobicContact CE1-CG 4.46Å; Y144-E148 HydrophobicContact CE2-CG 3.85Å; Y144-E148 PolarHBondContact O-N 3.44Å |
| 145 | I | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.9 | -47.5 | -178 | -65.1 | 160.5 | 0 | 0 | 0 | 110.9 | L26 L30 A118 C122 R141 E142 E148 Y149 | L26-I145 HydrophobicContact CD2-CG2 3.49Å; L26-I145 VanDerWaalsContact CD2-CG2 3.49Å; L30-I145 HydrophobicContact CD1-CD1 4.18Å; L30-I145 HydrophobicContact CD2-CD1 3.76Å; L30-I145 HydrophobicContact CD2-CG1 3.72Å; L30-I145 HydrophobicContact CG-CD1 4.34Å; L30-I145 HydrophobicContact CG-CG1 4.23Å; A118-I145 HydrophobicContact CB-CG2 4Å; C122-I145 WeakPolarHBondContact SG-CD1 3.42Å; R141-I145 HydrophobicContact CG-CD1 3.98Å; R141-I145 WeakPolarHBondContact O-CD1 3.49Å; R141-I145 VanDerWaalsContact O-CG1 3.26Å; R141-I145 WeakPolarHBondContact O-CG1 3.41Å; R141-I145 PolarHBondContact O-N 3.12Å; E142-I145 PolarHBondContact O-N 3.07Å; I145-E148 PolarHBondContact O-N 3.42Å; I145-Y149 VanDerWaalsContact O-CB 3.31Å; I145-Y149 WeakPolarHBondContact O-CB 3.47Å; I145-Y149 PolarHBondContact O-N 3.17Å |
| 146 | L | 96.7 | Very high | 95.4 | Very high | 4 Ų | 4 | 67.2 Ų | 67.2 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -71.9 | -34.7 | -177.2 | -64.1 | 179.5 | 0 | 0 | 0 | 112.1 | A115 A118 E142 Y144 Y149 N150 L157 E158 P159 | A115-L146 HydrophobicContact CB-CD1 4.33Å; A115-L146 HydrophobicContact CB-CD2 4.43Å; A118-L146 HydrophobicContact CB-CD2 4.22Å; E142-L146 WeakPolarHBondContact O-CB 3.5Å; E142-L146 WeakPolarHBondContact O-CG 3.4Å; E142-L146 PolarHBondContact O-N 3.16Å; Y144-L146 PolarHBondContact O-N 3.36Å; L146-Y149 PolarHBondContact O-N 2.84Å; L146-N150 WeakPolarHBondContact O-CB 3.4Å; L146-N150 PolarHBondContact O-N 2.92Å; L146-N150 PolarHBondContact O-ND2 2.86Å; L146-N150 PolarHBondContact O-OD1 3.14Å; L146-L157 HydrophobicContact CD2-CB 4.13Å; L146-L157 HydrophobicContact CD2-CD1 4.29Å; L146-E158 VanDerWaalsContact CD1-O 3.27Å; L146-E158 WeakPolarHBondContact CD1-O 3.47Å; L146-P159 HydrophobicContact CD1-CB 4.47Å; L146-P159 HydrophobicContact CD1-CG 4.31Å |
| 147 | S | 97.4 | Very high | 95.4 | Very high | 71 Ų | 71 | 65.9 Ų | 65.9 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.2 | -49.4 | 171.6 | 179.8 | 0 | 0 | 0 | 0 | 111.5 | R143 Y144 Y149 N150 R151 | R143-S147 WeakPolarHBondContact O-CB 3.49Å; R143-S147 PolarHBondContact O-N 3.39Å; Y144-S147 PolarHBondContact O-N 3.09Å; S147-Y149 VanDerWaalsContact C-N 3.35Å; S147-Y149 PolarHBondContact O-N 3.4Å; S147-N150 PolarHBondContact O-N 2.79Å; S147-R151 WeakPolarHBondContact O-CB 3.32Å; S147-R151 PolarHBondContact O-N 3.02Å |
| 148 | E | 97.9 | Very high | 95.2 | Very high | 43 Ų | 43 | 68.8 Ų | 68.8 | 20% | 0.201 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 177.2 | -71.4 | -55 | 129.6 | 0 | 0 | 112.1 | I29 Y144 I145 R151 L152 | I29-E148 HydrophobicContact CD1-CB 4.02Å; I29-E148 HydrophobicContact CG1-CB 4.05Å; I29-E148 HydrophobicContact CG2-CB 3.73Å; I29-E148 HydrophobicContact CG2-CG 4.23Å; Y144-E148 HydrophobicContact CD2-CG 4.36Å; Y144-E148 HydrophobicContact CE1-CG 4.46Å; Y144-E148 HydrophobicContact CE2-CG 3.85Å; Y144-E148 PolarHBondContact O-N 3.44Å; I145-E148 PolarHBondContact O-N 3.42Å; E148-R151 WeakPolarHBondContact O-CB 3.45Å; E148-R151 PolarHBondContact O-N 3.36Å; E148-R151 IonicContact OE1-NE 3.57Å; E148-R151 IonicContact OE2-CZ 2.65Å; E148-R151 VanDerWaalsContact OE2-CZ 3.24Å; E148-R151 IonicContact OE2-NE 3.78Å; E148-R151 PolarHBondContact OE2-NE 2.96Å; E148-R151 IonicContact OE2-NH2 2.73Å; E148-R151 PolarHBondContact OE2-NH2 2.97Å; E148-L152 WeakPolarHBondContact O-CG 3.44Å; E148-L152 PolarHBondContact O-N 2.89Å |
| 149 | Y | 97.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 69.6 Ų | 69.6 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 175.4 | -177 | -89.6 | 0 | 0 | 0 | 111.8 | D22 T25 L26 I29 T114 I145 L146 S147 R151 L152 T153 R155 L157 | D22-Y149 HydrophobicContact CB-CE2 4.25Å; D22-Y149 WeakPolarHBondContact CB-OH 3.4Å; D22-Y149 PolarHBondContact OD1-OH 3.35Å; T25-Y149 HydrophobicContact CG2-CD2 3.71Å; T25-Y149 HydrophobicContact CG2-CE2 3.9Å; L26-Y149 HydrophobicContact CD2-CD2 3.91Å; L26-Y149 HydrophobicContact CD2-CG 4.41Å; L26-Y149 HydrophobicContact CG-CD2 4.34Å; I29-Y149 HydrophobicContact CD1-CD2 4.32Å; T114-Y149 HydrophobicContact CG2-CD1 4.39Å; T114-Y149 HydrophobicContact CG2-CD2 4.33Å; T114-Y149 HydrophobicContact CG2-CE1 3.93Å; T114-Y149 HydrophobicContact CG2-CE2 3.88Å; I145-Y149 VanDerWaalsContact O-CB 3.31Å; I145-Y149 WeakPolarHBondContact O-CB 3.47Å; I145-Y149 PolarHBondContact O-N 3.17Å; L146-Y149 PolarHBondContact O-N 2.84Å; S147-Y149 VanDerWaalsContact C-N 3.35Å; S147-Y149 PolarHBondContact O-N 3.4Å; Y149-R151 VanDerWaalsContact C-N 3.33Å; Y149-R151 PolarHBondContact O-N 3.17Å; Y149-L152 PolarHBondContact O-N 3.44Å; Y149-T153 HydrophobicContact CD1-CG2 4.41Å; Y149-T153 HydrophobicContact CD2-CG2 4.32Å; Y149-T153 HydrophobicContact CE1-CG2 4.07Å; Y149-T153 WeakPolarHBondContact CE1-OG1 3.22Å; Y149-T153 HydrophobicContact CE2-CG2 3.95Å; Y149-T153 WeakPolarHBondContact O-CB 3.17Å; Y149-T153 WeakPolarHBondContact O-CG2 3.43Å; Y149-T153 PolarHBondContact O-N 3.27Å; Y149-T153 PolarHBondContact O-OG1 3.46Å; Y149-R155 HydrophobicContact CE1-CB 4.2Å; Y149-R155 HydrophobicContact CE1-CG 4.17Å; Y149-L157 HydrophobicContact CD1-CD1 3.65Å; Y149-L157 HydrophobicContact CD1-CG 4.31Å; Y149-L157 HydrophobicContact CE1-CD1 3.53Å; Y149-L157 HydrophobicContact CE1-CG 4.32Å |
| 150 | N | 97.3 | Very high | 94.2 | Very high | 28 Ų | 28 | 71.2 Ų | 71.2 | 15% | 0.15 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.5 | -44.9 | 176.8 | -72.3 | -15.4 | 0 | 0 | 0 | 110.7 | L146 S147 L152 T153 G154 R155 L157 | L146-N150 WeakPolarHBondContact O-CB 3.4Å; L146-N150 PolarHBondContact O-N 2.92Å; L146-N150 PolarHBondContact O-ND2 2.86Å; L146-N150 PolarHBondContact O-OD1 3.14Å; S147-N150 PolarHBondContact O-N 2.79Å; N150-L152 VanDerWaalsContact C-N 3.34Å; N150-L152 PolarHBondContact O-N 2.86Å; N150-T153 PolarHBondContact O-N 3.41Å; N150-G154 WeakPolarHBondContact O-CA 3.38Å; N150-G154 PolarHBondContact O-N 3Å; N150-R155 WeakPolarHBondContact CA-O 3.01Å; N150-R155 WeakPolarHBondContact CB-O 3.38Å; N150-R155 PolarHBondContact O-N 3.3Å; N150-R155 VanDerWaalsContact OD1-C 3.3Å; N150-R155 PolarHBondContact OD1-O 2.99Å; N150-L157 PolarHBondContact ND2-N 2.9Å; N150-L157 VanDerWaalsContact ND2-N 3.18Å; N150-L157 PolarHBondContact ND2-O 3.18Å; N150-L157 PolarHBondContact OD1-N 3.21Å |
| 151 | R | 97 | Very high | 93.4 | Very high | 167 Ų | 167 | 65.3 Ų | 65.3 | 63% | 0.63 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -59.1 | -41.5 | 176 | -171.6 | -179.1 | 68.5 | 79.7 | -0.2 | 112.8 | S147 E148 Y149 | S147-R151 WeakPolarHBondContact O-CB 3.32Å; S147-R151 PolarHBondContact O-N 3.02Å; E148-R151 WeakPolarHBondContact O-CB 3.45Å; E148-R151 PolarHBondContact O-N 3.36Å; E148-R151 IonicContact OE1-NE 3.57Å; E148-R151 IonicContact OE2-CZ 2.65Å; E148-R151 VanDerWaalsContact OE2-CZ 3.24Å; E148-R151 IonicContact OE2-NE 3.78Å; E148-R151 PolarHBondContact OE2-NE 2.96Å; E148-R151 IonicContact OE2-NH2 2.73Å; E148-R151 PolarHBondContact OE2-NH2 2.97Å; Y149-R151 VanDerWaalsContact C-N 3.33Å; Y149-R151 PolarHBondContact O-N 3.17Å |
| 152 | L | 95.8 | Very high | 92.3 | Very high | 87 Ų | 87 | 69.8 Ų | 69.8 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -78.2 | -27.6 | -178.5 | -69.8 | 174.7 | 0 | 0 | 0 | 113.7 | T25 I29 E148 Y149 N150 | T25-L152 HydrophobicContact CG2-CD1 4.16Å; I29-L152 HydrophobicContact CD1-CD1 4.16Å; I29-L152 HydrophobicContact CG1-CD1 3.9Å; E148-L152 WeakPolarHBondContact O-CG 3.44Å; E148-L152 PolarHBondContact O-N 2.89Å; Y149-L152 PolarHBondContact O-N 3.44Å; N150-L152 VanDerWaalsContact C-N 3.34Å; N150-L152 PolarHBondContact O-N 2.86Å |
| 153 | T | 94.8 | Very high | 91.1 | Very high | 51 Ų | 51 | 73 Ų | 73 | 31% | 0.313 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -114.4 | -8.5 | -169.4 | 63.8 | 0 | 0 | 0 | 0 | 114.5 | T25 Y149 N150 R155 | T25-T153 HydrophobicContact CG2-CG2 4.36Å; Y149-T153 HydrophobicContact CD1-CG2 4.41Å; Y149-T153 HydrophobicContact CD2-CG2 4.32Å; Y149-T153 HydrophobicContact CE1-CG2 4.07Å; Y149-T153 WeakPolarHBondContact CE1-OG1 3.22Å; Y149-T153 HydrophobicContact CE2-CG2 3.95Å; Y149-T153 WeakPolarHBondContact O-CB 3.17Å; Y149-T153 WeakPolarHBondContact O-CG2 3.43Å; Y149-T153 PolarHBondContact O-N 3.27Å; Y149-T153 PolarHBondContact O-OG1 3.46Å; N150-T153 PolarHBondContact O-N 3.41Å; T153-R155 PolarHBondContact O-N 3.28Å; T153-R155 WeakPolarHBondContact OG1-CB 3.26Å; T153-R155 WeakPolarHBondContact OG1-CG 3.42Å |
| 154 | G | 93.4 | Very high | 89.5 | Confident | 61 Ų | 61 | 69.4 Ų | 69.4 | 63% | 0.629 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 24.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N150 | N150-G154 WeakPolarHBondContact O-CA 3.38Å; N150-G154 PolarHBondContact O-N 3Å |
| 155 | R | 92.5 | Very high | 87.7 | Confident | 112 Ų | 112 | 68.3 Ų | 68.3 | 42% | 0.423 | 36% | 0.359 | S | S | . | . | trans | -93.9 | 169.3 | 177.7 | -63.1 | -68.6 | -178.5 | 176.9 | -5.3 | 110.7 | Y149 N150 T153 L157 | Y149-R155 HydrophobicContact CE1-CB 4.2Å; Y149-R155 HydrophobicContact CE1-CG 4.17Å; N150-R155 WeakPolarHBondContact CA-O 3.01Å; N150-R155 WeakPolarHBondContact CB-O 3.38Å; N150-R155 PolarHBondContact O-N 3.3Å; N150-R155 VanDerWaalsContact OD1-C 3.3Å; N150-R155 PolarHBondContact OD1-O 2.99Å; T153-R155 PolarHBondContact O-N 3.28Å; T153-R155 WeakPolarHBondContact OG1-CB 3.26Å; T153-R155 WeakPolarHBondContact OG1-CG 3.42Å; R155-L157 HydrophobicContact CB-CG 4.35Å | ||
| 156 | H | 92.4 | Very high | 85.7 | Confident | 174 Ų | 174 | 71.6 Ų | 71.6 | 81% | 0.806 | 38% | 0.38 | S | S | * | . | trans | -131.8 | 79.4 | 175.9 | -62.1 | -75.9 | 0 | 0 | 0 | 108.4 | ||||
| 157 | L | 92.8 | Very high | 83.7 | Confident | 20 Ų | 20 | 76.9 Ų | 76.9 | 11% | 0.105 | 41% | 0.405 | C | S | . | . | trans | -98.5 | 141.3 | 174.7 | -54.6 | -172.1 | 0 | 0 | 0 | 110.2 | T114 L146 Y149 N150 R155 | T114-L157 HydrophobicContact CG2-CD1 3.61Å; L146-L157 HydrophobicContact CD2-CB 4.13Å; L146-L157 HydrophobicContact CD2-CD1 4.29Å; Y149-L157 HydrophobicContact CD1-CD1 3.65Å; Y149-L157 HydrophobicContact CD1-CG 4.31Å; Y149-L157 HydrophobicContact CE1-CD1 3.53Å; Y149-L157 HydrophobicContact CE1-CG 4.32Å; N150-L157 PolarHBondContact ND2-N 2.9Å; N150-L157 VanDerWaalsContact ND2-N 3.18Å; N150-L157 PolarHBondContact ND2-O 3.18Å; N150-L157 PolarHBondContact OD1-N 3.21Å; R155-L157 HydrophobicContact CB-CG 4.35Å | ||
| 158 | E | 89.9 | Confident | 80.8 | Confident | 147 Ų | 147 | 82.1 Ų | 82.1 | 69% | 0.687 | 43% | 0.434 | S | S | * | . | trans | -113.7 | 154.6 | 176.6 | -65.9 | -59.7 | 143.9 | 0 | 0 | 110.4 | L146 | L146-E158 VanDerWaalsContact CD1-O 3.27Å; L146-E158 WeakPolarHBondContact CD1-O 3.47Å | ||
| 159 | P | 87.7 | Confident | 80 | Confident | 17 Ų | 17 | 84.1 Ų | 84.1 | 11% | 0.11 | 45% | 0.446 | C | S | . | . | trans | -54.8 | 149.2 | 176.1 | -25.3 | 34.1 | 0 | 0 | 0 | 113 | L139 E142 R143 L146 M161 | L139-P159 HydrophobicContact CD1-CB 3.76Å; L139-P159 HydrophobicContact CD1-CG 4.06Å; E142-P159 HydrophobicContact CB-CB 4.18Å; E142-P159 WeakPolarHBondContact OE2-CB 3.37Å; R143-P159 HydrophobicContact CB-CG 4.48Å; R143-P159 HydrophobicContact CG-CG 3.5Å; R143-P159 VanDerWaalsContact CG-CG 3.5Å; L146-P159 HydrophobicContact CD1-CB 4.47Å; L146-P159 HydrophobicContact CD1-CG 4.31Å; P159-M161 VanDerWaalsContact C-N 3.33Å | ||
| 160 | L | 81.3 | Confident | 79.1 | Confident | 43 Ų | 43 | 88.3 Ų | 88.3 | 23% | 0.225 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -68.2 | -39.6 | 173.2 | -89.4 | -179.4 | 0 | 0 | 0 | 111.1 | A115 V116 H119 E142 K162 | A115-L160 HydrophobicContact CB-CG 4.39Å; V116-L160 VanDerWaalsContact CA-CD1 3.49Å; V116-L160 HydrophobicContact CB-CD1 4.02Å; V116-L160 HydrophobicContact CG1-CD1 4.43Å; V116-L160 HydrophobicContact CG2-CD1 3.7Å; V116-L160 HydrophobicContact CG2-CD2 3.94Å; V116-L160 HydrophobicContact CG2-CG 4.23Å; H119-L160 HydrophobicContact CB-CD1 3.76Å; E142-L160 PolarHBondContact OE2-N 3.32Å; L160-K162 PolarHBondContact O-N 3.28Å; L160-K162 VanDerWaalsContact O-N 3.1Å |
| 161 | M | 77.9 | Confident | 78 | Confident | 20 Ų | 20 | 91.6 Ų | 91.6 | 10% | 0.099 | 49% | 0.486 | C | S | . | . | trans | -75.5 | 100.9 | -176.5 | -64.5 | 164.9 | 69.8 | 0 | 0 | 109.6 | H129 W135 M138 L139 P159 | H129-M161 HydrophobicContact CB-CE 3.55Å; W135-M161 HydrophobicContact CB-CE 4.23Å; W135-M161 HydrophobicContact CD2-CE 4.19Å; W135-M161 HydrophobicContact CG-CE 3.55Å; M138-M161 HydrophobicContact CB-CE 4.31Å; M138-M161 HydrophobicContact CB-SD 4.43Å; M138-M161 HydrophobicContact CE-SD 4.16Å; M138-M161 HydrophobicContact CG-CE 4.36Å; M138-M161 HydrophobicContact CG-SD 3.89Å; M138-M161 HydrophobicContact SD-SD 4.2Å; L139-M161 HydrophobicContact CD1-CB 4.23Å; L139-M161 WeakPolarHBondContact CD1-O 3.29Å; P159-M161 VanDerWaalsContact C-N 3.33Å | ||
| 162 | K | 73.6 | Confident | 76.9 | Confident | 154 Ų | 154 | 87.2 Ų | 87.2 | 67% | 0.67 | 48% | 0.477 | S | S | * | . | trans | -89.3 | -28.9 | 178.7 | -64.2 | -179.2 | -172.7 | 170.6 | 0 | 113.3 | E105 L160 | E105-K162 IonicContact OE1-NZ 2.9Å; E105-K162 IonicContact OE2-NZ 2.72Å; E105-K162 PolarHBondContact OE2-NZ 3.43Å; L160-K162 PolarHBondContact O-N 3.28Å; L160-K162 VanDerWaalsContact O-N 3.1Å | ||
| 163 | A | 68.3 | Low | 75.8 | Confident | 69 Ų | 69 | 87.2 Ų | 87.2 | 57% | 0.57 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -150.7 | 157 | 178 | 0 | 0 | 0 | 0 | 0 | 109.9 | W135 S165 | W135-A163 PolarHBondContact NE1-O 3.37Å; A163-S165 PolarHBondContact O-N 2.8Å |
| 164 | F | 62 | Low | 74.5 | Confident | 78 Ų | 78 | 89.6 Ų | 89.6 | 34% | 0.342 | 49% | 0.49 | S | S | . | . | trans | -66.3 | 121.4 | 168 | 178.8 | -111.4 | 0 | 0 | 0 | 108.5 | W135 P166 | W135-F164 HydrophobicContact CB-CD2 3.58Å; W135-F164 HydrophobicContact CB-CE2 4.04Å; W135-F164 AromaticContact CD1-CD2 3.65Å; W135-F164 HydrophobicContact CD2-CB 3.97Å; W135-F164 HydrophobicContact CD2-CD2 4.18Å; W135-F164 HydrophobicContact CE3-CB 4.33Å; W135-F164 HydrophobicContact CG-CB 4.21Å; W135-F164 AromaticContact CG-CD2 3.54Å; W135-F164 HydrophobicContact CG-CD2 3.54Å; W135-F164 HydrophobicContact CG-CE2 4.43Å; W135-F164 HydrophobicContact CG-CG 4.36Å; W135-F164 HydrophobicContact CZ2-CB 4.49Å; W135-F164 VanDerWaalsContact CZ2-N 3.3Å; F164-P166 HydrophobicContact CE1-CB 4.43Å; F164-P166 HydrophobicContact CE1-CG 4.38Å; F164-P166 HydrophobicContact CZ-CB 4.2Å | ||
| 165 | S | 60 | Low | 73.1 | Confident | 84 Ų | 84 | 91.6 Ų | 91.6 | 59% | 0.587 | 48% | 0.48 | S | S | * | . | trans | -132.1 | 116.1 | 166.6 | -170.6 | 0 | 0 | 0 | 0 | 106 | A163 E167 | A163-S165 PolarHBondContact O-N 2.8Å; S165-E167 PolarHBondContact O-N 3.47Å | ||
| 166 | P | 53.6 | Low | 71.6 | Confident | 70 Ų | 70 | 90.1 Ų | 90.1 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | trans | -58.6 | 128.7 | 172.4 | 23.5 | -29.5 | 0 | 0 | 0 | 107.4 | F164 T168 | F164-P166 HydrophobicContact CE1-CB 4.43Å; F164-P166 HydrophobicContact CE1-CG 4.38Å; F164-P166 HydrophobicContact CZ-CB 4.2Å; P166-T168 PolarHBondContact O-N 3.41Å | ||
| 167 | E | 53.9 | Low | 69.9 | Low | 115 Ų | 115 | 83.1 Ų | 83.1 | 54% | 0.537 | 46% | 0.458 | S | S | . | . | trans | -60.8 | 107.4 | 172.1 | -79.5 | -153.5 | -162.4 | 0 | 0 | 108.3 | K57 H129 S165 | K57-E167 IonicContact NZ-OE2 2.63Å; K57-E167 PolarHBondContact NZ-OE2 3.43Å; H129-E167 IonicContact CE1-OE1 3.82Å; H129-E167 PolarHBondContact CE1-OE1 3.35Å; H129-E167 IonicContact NE2-OE1 3.24Å; S165-E167 PolarHBondContact O-N 3.47Å | ||
| 168 | T | 38 | Very low | 67.8 | Low | 180 Ų | 180 | 88.8 Ų | 88.8 | 100% | 1.104 | 49% | 0.49 | S | S | * | . | trans | -69.5 | 0 | 172.1 | 40.5 | 0 | 0 | 0 | 0 | 112.3 | K57 P166 | K57-T168 WeakPolarHBondContact CE-O 3.38Å; K57-T168 PolarHBondContact NZ-O 2.9Å; P166-T168 PolarHBondContact O-N 3.41Å |
Retrieved 168 of 168 residues in 225.7 ms
(Link to these results)