| 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 | 87.4 | Confident | 96.7 | Very high | 108 Ų | 108 | 71.5 Ų | 71.5 | 53% | 0.532 | 39% | 0.386 | S | S | . | . | 0 | 129.6 | 0 | -173.2 | 176 | 80.6 | 0 | 0 | 109.4 | T47 D49 I54 L88 | M1-T47 CarbonylContact C-O 3.58Å; M1-T47 WeakPolarHBondContact CA-O 3.5Å; M1-D49 PolarHBondContact N-OD1 3.34Å; M1-I54 HydrophobicContact CG-CD1 4.37Å; M1-I54 HydrophobicContact SD-CD1 4.4Å; M1-L88 HydrophobicContact CE-CD2 3.69Å; M1-L88 HydrophobicContact CE-CG 4.4Å; M1-L88 HydrophobicContact CG-CD2 4.41Å; M1-L88 HydrophobicContact SD-CD1 4.05Å; M1-L88 HydrophobicContact SD-CD2 3.44Å; M1-L88 WeakPolarHBondContact SD-CD2 3.5Å; M1-L88 HydrophobicContact SD-CG 3.98Å | |||
| 2 | L | 95.1 | Very high | 96.9 | Very high | 92 Ų | 92 | 73.3 Ų | 73.3 | 48% | 0.482 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 132.1 | -174.4 | 175.7 | 65.3 | 0 | 0 | 0 | 110 | R4 A46 T47 | L2-R4 HydrophobicContact CD2-CG 4.28Å; L2-R4 HydrophobicContact CG-CB 4.48Å; L2-R4 HydrophobicContact CG-CG 4.32Å; L2-A46 CarbonylContact O-C 3.6Å; L2-A46 VanDerWaalsContact O-CA 3.32Å; L2-A46 WeakPolarHBondContact O-CA 3.1Å; L2-T47 PolarHBondContact N-O 2.95Å; L2-T47 PolarHBondContact O-N 3.35Å |
| 3 | I | 97.7 | Very high | 97 | Very high | 44 Ų | 44 | 69.5 Ų | 69.5 | 23% | 0.226 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 131 | 166.2 | -65 | 176.1 | 0 | 0 | 0 | 107.9 | L44 V45 A46 Q91 L92 E95 | I3-L44 HydrophobicContact CG2-CD1 4.44Å; I3-V45 VanDerWaalsContact CA-O 3.32Å; I3-V45 WeakPolarHBondContact CA-O 3.32Å; I3-A46 HydrophobicContact CG1-CB 4.1Å; I3-Q91 HydrophobicContact CD1-CB 3.48Å; I3-Q91 VanDerWaalsContact CD1-CB 3.48Å; I3-L92 HydrophobicContact CD1-CD2 4.48Å; I3-L92 HydrophobicContact CD1-CG 4.41Å; I3-L92 HydrophobicContact CG1-CD2 4.46Å; I3-L92 HydrophobicContact CG2-CD2 4.18Å; I3-E95 HydrophobicContact CG2-CB 4.35Å; I3-E95 HydrophobicContact CG2-CG 4.31Å |
| 4 | R | 97.7 | Very high | 97.1 | Very high | 65 Ų | 65 | 64.6 Ų | 64.6 | 25% | 0.245 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 165.8 | 178.4 | 58.5 | 169.2 | 178.7 | 74.5 | 5 | 111.4 | L2 D10 L44 V45 | L2-R4 HydrophobicContact CD2-CG 4.28Å; L2-R4 HydrophobicContact CG-CB 4.48Å; L2-R4 HydrophobicContact CG-CG 4.32Å; R4-D10 IonicContact CZ-OD1 3.36Å; R4-D10 IonicContact CZ-OD2 2.89Å; R4-D10 IonicContact NH1-OD1 3.96Å; R4-D10 IonicContact NH1-OD2 2.72Å; R4-D10 PolarHBondContact NH1-OD2 3.07Å; R4-D10 IonicContact NH2-OD1 3.93Å; R4-D10 PolarHBondContact NH2-OD1 2.87Å; R4-D10 IonicContact NH2-OD2 2.71Å; R4-D10 PolarHBondContact NH2-OD2 3.1Å; R4-L44 WeakPolarHBondContact O-CA 3.45Å; R4-V45 HydrophobicContact CG-CG2 3.92Å; R4-V45 PolarHBondContact N-O 2.9Å; R4-V45 PolarHBondContact O-N 3.27Å |
| 5 | V | 98.2 | Very high | 97.2 | Very high | 74 Ų | 74 | 63.6 Ų | 63.6 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 138.2 | 167.6 | -177.4 | 0 | 0 | 0 | 0 | 109.9 | L42 G43 L44 | V5-L42 HydrophobicContact CG1-CD1 4.12Å; V5-L42 HydrophobicContact CG2-CD1 4.13Å; V5-G43 CarbonylContact C-O 3.57Å; V5-G43 WeakPolarHBondContact CA-O 3.27Å; V5-L44 HydrophobicContact CB-CD2 4.39Å; V5-L44 HydrophobicContact CG2-CD2 3.88Å |
| 6 | E | 98.5 | Very high | 97.3 | Very high | 29 Ų | 29 | 62.4 Ų | 62.4 | 14% | 0.136 | 36% | 0.358 | C | S | . | . | trans | -62 | 148.5 | 175.1 | 78.8 | 164.5 | -129.5 | 0 | 0 | 110.8 | D10 I14 R35 L40 G43 V45 Y56 | E6-D10 WeakPolarHBondContact CA-OD2 3.2Å; E6-I14 HydrophobicContact CB-CD1 4.2Å; E6-R35 VanDerWaalsContact CD-NH2 3.26Å; E6-R35 IonicContact OE1-CZ 3.68Å; E6-R35 IonicContact OE1-NE 2.85Å; E6-R35 PolarHBondContact OE1-NE 3.2Å; E6-R35 IonicContact OE1-NH2 3.7Å; E6-R35 PolarHBondContact OE1-NH2 3.46Å; E6-R35 IonicContact OE2-CZ 3.15Å; E6-R35 IonicContact OE2-NH2 3.42Å; E6-R35 PolarHBondContact OE2-NH2 3.03Å; E6-L40 WeakPolarHBondContact OE1-CD2 3.41Å; E6-G43 PolarHBondContact N-O 3.16Å; E6-V45 HydrophobicContact CB-CG1 4.13Å; E6-Y56 HydrophobicContact CB-CE2 4.49Å; E6-Y56 WeakPolarHBondContact OE2-CE2 3.43Å; E6-Y56 VanDerWaalsContact OE2-CZ 3.24Å; E6-Y56 PolarHBondContact OE2-OH 3.28Å | ||
| 7 | I | 97.6 | Very high | 97.4 | Very high | 83 Ų | 83 | 58.7 Ų | 58.7 | 43% | 0.426 | 34% | 0.337 | S | S | . | . | trans | -131.2 | 164.8 | 171 | 67.2 | -179.8 | 0 | 0 | 0 | 108.8 | I9 D10 | I7-I9 HydrophobicContact CD1-CG2 3.74Å; I7-I9 HydrophobicContact CG1-CB 4.47Å; I7-I9 HydrophobicContact CG1-CG2 3.69Å; I7-I9 PolarHBondContact O-N 3.17Å; I7-D10 WeakPolarHBondContact CG1-OD2 3.35Å; I7-D10 PolarHBondContact N-OD2 3.44Å; I7-D10 WeakPolarHBondContact O-CB 3.42Å; I7-D10 PolarHBondContact O-N 3.45Å | ||
| 8 | P | 97.5 | Very high | 97.5 | Very high | 119 Ų | 119 | 55.4 Ų | 55.4 | 77% | 0.773 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -54.7 | -27.7 | -174 | -30.6 | 37 | 0 | 0 | 0 | 115.6 | D10 A11 | P8-D10 PolarHBondContact O-N 3.31Å; P8-A11 PolarHBondContact O-N 3.32Å |
| 9 | I | 97.3 | Very high | 97.5 | Very high | 134 Ų | 134 | 57.5 Ų | 57.5 | 69% | 0.687 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -67.4 | -21.1 | 178 | -151.1 | 172.5 | 0 | 0 | 0 | 113.1 | I7 P12 | I7-I9 HydrophobicContact CD1-CG2 3.74Å; I7-I9 HydrophobicContact CG1-CB 4.47Å; I7-I9 HydrophobicContact CG1-CG2 3.69Å; I7-I9 PolarHBondContact O-N 3.17Å; I9-P12 WeakPolarHBondContact O-CD 3.25Å |
| 10 | D | 98.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.032 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -80.1 | -19.4 | -176.8 | -58.4 | -41.7 | 0 | 0 | 0 | 112.3 | R4 E6 I7 P8 G13 I14 V45 V53 | R4-D10 IonicContact CZ-OD1 3.36Å; R4-D10 IonicContact CZ-OD2 2.89Å; R4-D10 IonicContact NH1-OD1 3.96Å; R4-D10 IonicContact NH1-OD2 2.72Å; R4-D10 PolarHBondContact NH1-OD2 3.07Å; R4-D10 IonicContact NH2-OD1 3.93Å; R4-D10 PolarHBondContact NH2-OD1 2.87Å; R4-D10 IonicContact NH2-OD2 2.71Å; R4-D10 PolarHBondContact NH2-OD2 3.1Å; E6-D10 WeakPolarHBondContact CA-OD2 3.2Å; I7-D10 WeakPolarHBondContact CG1-OD2 3.35Å; I7-D10 PolarHBondContact N-OD2 3.44Å; I7-D10 WeakPolarHBondContact O-CB 3.42Å; I7-D10 PolarHBondContact O-N 3.45Å; P8-D10 PolarHBondContact O-N 3.31Å; D10-G13 CarbonylContact O-C 3.54Å; D10-G13 WeakPolarHBondContact O-CA 3.37Å; D10-G13 PolarHBondContact O-N 3.3Å; D10-I14 HydrophobicContact CB-CD1 3.7Å; D10-I14 HydrophobicContact CB-CG1 4.17Å; D10-I14 WeakPolarHBondContact O-CG1 3.46Å; D10-I14 PolarHBondContact O-N 3.18Å; D10-V45 HydrophobicContact CB-CG1 4.14Å; D10-V53 HydrophobicContact CB-CG2 4.19Å |
| 11 | A | 98.5 | Very high | 97.6 | Very high | 32 Ų | 32 | 58.1 Ų | 58.1 | 26% | 0.264 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -52.6 | -43.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | P8 G13 I14 D15 | P8-A11 PolarHBondContact O-N 3.32Å; A11-G13 VanDerWaalsContact C-N 3.34Å; A11-G13 PolarHBondContact O-N 3.18Å; A11-I14 PolarHBondContact O-N 3.39Å; A11-D15 WeakPolarHBondContact O-CB 3.46Å; A11-D15 PolarHBondContact O-N 2.67Å |
| 12 | P | 98.5 | Very high | 98 | Very high | 94 Ų | 94 | 55.4 Ų | 55.4 | 61% | 0.61 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.8 | -36.4 | 174.7 | -20.6 | 33.8 | 0 | 0 | 0 | 113.2 | I9 A16 | I9-P12 WeakPolarHBondContact O-CD 3.25Å; P12-A16 VanDerWaalsContact O-CB 3.29Å; P12-A16 WeakPolarHBondContact O-CB 3.41Å; P12-A16 PolarHBondContact O-N 2.8Å |
| 13 | G | 98.7 | Very high | 98 | Very high | 23 Ų | 23 | 60 Ų | 60 | 24% | 0.237 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.2 | -39.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D10 A11 L17 | D10-G13 CarbonylContact O-C 3.54Å; D10-G13 WeakPolarHBondContact O-CA 3.37Å; D10-G13 PolarHBondContact O-N 3.3Å; A11-G13 VanDerWaalsContact C-N 3.34Å; A11-G13 PolarHBondContact O-N 3.18Å; G13-L17 WeakPolarHBondContact O-CB 3.27Å; G13-L17 PolarHBondContact O-N 3.06Å |
| 14 | I | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.7 | -52.4 | 173.9 | -66.1 | 162.8 | 0 | 0 | 0 | 109.9 | E6 D10 A11 A16 L17 L18 V31 V45 V53 Y56 | E6-I14 HydrophobicContact CB-CD1 4.2Å; D10-I14 HydrophobicContact CB-CD1 3.7Å; D10-I14 HydrophobicContact CB-CG1 4.17Å; D10-I14 WeakPolarHBondContact O-CG1 3.46Å; D10-I14 PolarHBondContact O-N 3.18Å; A11-I14 PolarHBondContact O-N 3.39Å; I14-A16 VanDerWaalsContact C-N 3.33Å; I14-A16 PolarHBondContact O-N 3.16Å; I14-L17 WeakPolarHBondContact O-CB 3.33Å; I14-L17 PolarHBondContact O-N 2.85Å; I14-L18 HydrophobicContact CG2-CD1 3.76Å; I14-L18 HydrophobicContact CG2-CG 4.27Å; I14-L18 VanDerWaalsContact O-CG 3.31Å; I14-L18 WeakPolarHBondContact O-CG 3.47Å; I14-L18 PolarHBondContact O-N 2.86Å; I14-V31 HydrophobicContact CG2-CG1 4.03Å; I14-V45 HydrophobicContact CD1-CG1 3.77Å; I14-V45 HydrophobicContact CG1-CG1 3.82Å; I14-V53 HydrophobicContact CG1-CG1 4.12Å; I14-V53 HydrophobicContact CG1-CG2 4.47Å; I14-Y56 HydrophobicContact CD1-CD2 3.92Å; I14-Y56 HydrophobicContact CD1-CE2 3.47Å; I14-Y56 VanDerWaalsContact CD1-CE2 3.47Å; I14-Y56 HydrophobicContact CG1-CD2 3.79Å; I14-Y56 HydrophobicContact CG1-CE2 3.86Å; I14-Y56 HydrophobicContact CG1-CG 4.32Å; I14-Y56 HydrophobicContact CG2-CD1 3.79Å; I14-Y56 HydrophobicContact CG2-CD2 4.11Å; I14-Y56 HydrophobicContact CG2-CE1 3.68Å; I14-Y56 HydrophobicContact CG2-CE2 4.02Å; I14-Y56 HydrophobicContact CG2-CG 3.97Å |
| 15 | D | 98.8 | Very high | 98 | Very high | 50 Ų | 50 | 60.5 Ų | 60.5 | 27% | 0.267 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56 | -48.7 | 178.5 | 177.6 | 90.5 | 0 | 0 | 0 | 110.8 | A11 L17 L18 R19 | A11-D15 WeakPolarHBondContact O-CB 3.46Å; A11-D15 PolarHBondContact O-N 2.67Å; D15-L17 VanDerWaalsContact C-N 3.29Å; D15-L17 PolarHBondContact O-N 3.07Å; D15-L18 PolarHBondContact O-N 2.79Å; D15-R19 VanDerWaalsContact CG-NE 3.3Å; D15-R19 WeakPolarHBondContact O-CG 3.39Å; D15-R19 PolarHBondContact O-N 2.97Å; D15-R19 IonicContact OD1-CZ 3.06Å; D15-R19 IonicContact OD1-NE 2.79Å; D15-R19 PolarHBondContact OD1-NE 3.24Å; D15-R19 VanDerWaalsContact OD1-NE 3.15Å; D15-R19 IonicContact OD1-NH2 3.88Å; D15-R19 PolarHBondContact OD1-NH2 2.77Å; D15-R19 WeakPolarHBondContact OD2-CD 3.46Å; D15-R19 IonicContact OD2-CZ 2.8Å; D15-R19 IonicContact OD2-NE 3.22Å; D15-R19 PolarHBondContact OD2-NE 3Å; D15-R19 IonicContact OD2-NH2 2.89Å |
| 16 | A | 98.6 | Very high | 98 | Very high | 44 Ų | 44 | 58 Ų | 58 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.3 | -33.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | P12 I14 R20 | P12-A16 VanDerWaalsContact O-CB 3.29Å; P12-A16 WeakPolarHBondContact O-CB 3.41Å; P12-A16 PolarHBondContact O-N 2.8Å; I14-A16 VanDerWaalsContact C-N 3.33Å; I14-A16 PolarHBondContact O-N 3.16Å; A16-R20 VanDerWaalsContact O-CG 3.28Å; A16-R20 WeakPolarHBondContact O-CG 3.44Å; A16-R20 PolarHBondContact O-NH1 2.83Å |
| 17 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.5 | -46 | 177.1 | 172.1 | 66.2 | 0 | 0 | 0 | 110.9 | G13 I14 D15 R20 S21 V53 A78 D80 | G13-L17 WeakPolarHBondContact O-CB 3.27Å; G13-L17 PolarHBondContact O-N 3.06Å; I14-L17 WeakPolarHBondContact O-CB 3.33Å; I14-L17 PolarHBondContact O-N 2.85Å; D15-L17 VanDerWaalsContact C-N 3.29Å; D15-L17 PolarHBondContact O-N 3.07Å; L17-R20 VanDerWaalsContact CA-CZ 3.45Å; L17-R20 WeakPolarHBondContact O-CG 3.35Å; L17-R20 PolarHBondContact O-N 3.22Å; L17-S21 WeakPolarHBondContact CD1-OG 3.42Å; L17-S21 WeakPolarHBondContact O-CB 3.33Å; L17-S21 PolarHBondContact O-N 3.05Å; L17-S21 PolarHBondContact O-OG 3.04Å; L17-V53 HydrophobicContact CD2-CG1 3.97Å; L17-A78 HydrophobicContact CD2-CB 4.29Å; L17-A78 HydrophobicContact CG-CB 4.33Å; L17-D80 HydrophobicContact CD1-CB 3.82Å |
| 18 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.1 | -47.4 | -177 | -64.7 | 175.6 | 0 | 0 | 0 | 110.6 | I14 D15 R20 S21 F22 A28 V31 Y56 P76 A78 | I14-L18 HydrophobicContact CG2-CD1 3.76Å; I14-L18 HydrophobicContact CG2-CG 4.27Å; I14-L18 VanDerWaalsContact O-CG 3.31Å; I14-L18 WeakPolarHBondContact O-CG 3.47Å; I14-L18 PolarHBondContact O-N 2.86Å; D15-L18 PolarHBondContact O-N 2.79Å; L18-R20 PolarHBondContact O-N 3.33Å; L18-S21 PolarHBondContact O-N 3.03Å; L18-F22 HydrophobicContact CD2-CD2 4.32Å; L18-F22 HydrophobicContact CD2-CE2 3.75Å; L18-F22 WeakPolarHBondContact O-CD2 3.2Å; L18-F22 PolarHBondContact O-N 2.67Å; L18-A28 HydrophobicContact CB-CB 3.85Å; L18-V31 HydrophobicContact CD1-CB 3.88Å; L18-V31 HydrophobicContact CD1-CG1 4.23Å; L18-V31 HydrophobicContact CD1-CG2 3.69Å; L18-Y56 HydrophobicContact CD1-CD1 4.35Å; L18-Y56 HydrophobicContact CD1-CE1 4.46Å; L18-Y56 HydrophobicContact CD2-CD1 4.22Å; L18-P76 HydrophobicContact CD1-CG 4.04Å; L18-P76 HydrophobicContact CD2-CB 4.14Å; L18-P76 HydrophobicContact CD2-CG 3.52Å; L18-P76 HydrophobicContact CG-CG 4.44Å; L18-A78 HydrophobicContact CD2-CB 3.91Å |
| 19 | R | 98.3 | Very high | 98 | Very high | 94 Ų | 94 | 54.3 Ų | 54.3 | 36% | 0.355 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.6 | -30.1 | 178.7 | -66.2 | -178 | -171.5 | -79.1 | -10.6 | 114.7 | D15 D25 A28 | D15-R19 VanDerWaalsContact CG-NE 3.3Å; D15-R19 WeakPolarHBondContact O-CG 3.39Å; D15-R19 PolarHBondContact O-N 2.97Å; D15-R19 IonicContact OD1-CZ 3.06Å; D15-R19 IonicContact OD1-NE 2.79Å; D15-R19 PolarHBondContact OD1-NE 3.24Å; D15-R19 VanDerWaalsContact OD1-NE 3.15Å; D15-R19 IonicContact OD1-NH2 3.88Å; D15-R19 PolarHBondContact OD1-NH2 2.77Å; D15-R19 WeakPolarHBondContact OD2-CD 3.46Å; D15-R19 IonicContact OD2-CZ 2.8Å; D15-R19 IonicContact OD2-NE 3.22Å; D15-R19 PolarHBondContact OD2-NE 3Å; D15-R19 IonicContact OD2-NH2 2.89Å; R19-D25 WeakPolarHBondContact CG-OD1 3.29Å; R19-D25 IonicContact CZ-OD1 2.83Å; R19-D25 IonicContact NH1-OD1 3.22Å; R19-D25 PolarHBondContact NH1-OD1 2.76Å; R19-D25 IonicContact NH1-OD2 3.89Å; R19-D25 PolarHBondContact NH1-OD2 3.15Å; R19-A28 HydrophobicContact CG-CB 3.65Å |
| 20 | R | 97.9 | Very high | 98.1 | Very high | 107 Ų | 107 | 48.6 Ų | 48.6 | 40% | 0.404 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -91.9 | -11.9 | 177.9 | 74.9 | -175.3 | 178.2 | -96.4 | 0 | 113.6 | A16 L17 L18 V53 D80 | A16-R20 VanDerWaalsContact O-CG 3.28Å; A16-R20 WeakPolarHBondContact O-CG 3.44Å; A16-R20 PolarHBondContact O-NH1 2.83Å; L17-R20 VanDerWaalsContact CA-CZ 3.45Å; L17-R20 WeakPolarHBondContact O-CG 3.35Å; L17-R20 PolarHBondContact O-N 3.22Å; L18-R20 PolarHBondContact O-N 3.33Å; R20-V53 PolarHBondContact NH2-O 3.39Å; R20-V53 VanDerWaalsContact NH2-O 3.16Å; R20-D80 IonicContact CZ-OD2 2.89Å; R20-D80 IonicContact NE-OD2 2.75Å; R20-D80 PolarHBondContact NE-OD2 3.22Å; R20-D80 IonicContact NH2-OD2 3.3Å; R20-D80 PolarHBondContact NH2-OD2 2.81Å |
| 21 | S | 97.8 | Very high | 98.1 | Very high | 21 Ų | 21 | 48.4 Ų | 48.4 | 15% | 0.147 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -98.8 | -24.8 | -174.8 | -62.9 | 0 | 0 | 0 | 0 | 113.7 | L17 L18 | L17-S21 WeakPolarHBondContact CD1-OG 3.42Å; L17-S21 WeakPolarHBondContact O-CB 3.33Å; L17-S21 PolarHBondContact O-N 3.05Å; L17-S21 PolarHBondContact O-OG 3.04Å; L18-S21 PolarHBondContact O-N 3.03Å |
| 22 | F | 97 | Very high | 98.1 | Very high | 51 Ų | 51 | 51.7 Ų | 51.7 | 22% | 0.224 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -113.6 | 160.7 | -178.2 | -66.6 | -84.5 | 0 | 0 | 0 | 111.5 | L18 S24 E27 P76 A78 | L18-F22 HydrophobicContact CD2-CD2 4.32Å; L18-F22 HydrophobicContact CD2-CE2 3.75Å; L18-F22 WeakPolarHBondContact O-CD2 3.2Å; L18-F22 PolarHBondContact O-N 2.67Å; F22-S24 PolarHBondContact O-N 3.09Å; F22-E27 HydrophobicContact CB-CG 4.47Å; F22-E27 WeakPolarHBondContact CB-OE2 3.31Å; F22-E27 VanDerWaalsContact CD1-CD 3.5Å; F22-E27 HydrophobicContact CD1-CG 3.82Å; F22-E27 HydrophobicContact CD2-CB 3.77Å; F22-E27 HydrophobicContact CD2-CG 3.71Å; F22-E27 HydrophobicContact CE1-CG 3.92Å; F22-E27 HydrophobicContact CE2-CB 4Å; F22-E27 HydrophobicContact CE2-CG 3.82Å; F22-E27 HydrophobicContact CG-CB 4.18Å; F22-E27 VanDerWaalsContact CG-CD 3.48Å; F22-E27 HydrophobicContact CG-CG 3.73Å; F22-E27 HydrophobicContact CZ-CG 3.94Å; F22-P76 HydrophobicContact CE2-CB 4Å; F22-P76 HydrophobicContact CZ-CB 3.83Å; F22-A78 HydrophobicContact CE2-CB 3.92Å; F22-A78 HydrophobicContact CZ-CB 4.37Å |
| 23 | E | 95.6 | Very high | 98.1 | Very high | 190 Ų | 190 | 49.3 Ų | 49.3 | 89% | 0.888 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -69 | -17.6 | -179.4 | -64.9 | 79.8 | -176.3 | 0 | 0 | 113.3 | ||
| 24 | S | 96.6 | Very high | 98.1 | Very high | 53 Ų | 53 | 48.2 Ų | 48.2 | 37% | 0.371 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -138.2 | 171.7 | -179.7 | 85.8 | 0 | 0 | 0 | 0 | 111.7 | F22 A26 | F22-S24 PolarHBondContact O-N 3.09Å; S24-A26 PolarHBondContact O-N 3.06Å; S24-A26 WeakPolarHBondContact OG-CB 3.28Å; S24-A26 PolarHBondContact OG-N 2.89Å; S24-A26 VanDerWaalsContact OG-N 3.09Å |
| 25 | D | 97.5 | Very high | 98 | Very high | 66 Ų | 66 | 51.2 Ų | 51.2 | 35% | 0.353 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -79.2 | 2.7 | 173.3 | -68.9 | -36.5 | 0 | 0 | 0 | 113.6 | R19 E27 A28 K29 | R19-D25 WeakPolarHBondContact CG-OD1 3.29Å; R19-D25 IonicContact CZ-OD1 2.83Å; R19-D25 IonicContact NH1-OD1 3.22Å; R19-D25 PolarHBondContact NH1-OD1 2.76Å; R19-D25 IonicContact NH1-OD2 3.89Å; R19-D25 PolarHBondContact NH1-OD2 3.15Å; D25-E27 VanDerWaalsContact C-N 3.35Å; D25-E27 PolarHBondContact O-N 3.03Å; D25-A28 PolarHBondContact O-N 3.03Å; D25-K29 HydrophobicContact CB-CD 4.33Å; D25-K29 WeakPolarHBondContact O-CG 3.4Å; D25-K29 PolarHBondContact O-N 2.93Å |
| 26 | A | 97.7 | Very high | 98 | Very high | 22 Ų | 22 | 55.7 Ų | 55.7 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.8 | -44.1 | -170 | 0 | 0 | 0 | 0 | 0 | 112.3 | S24 K29 L30 | S24-A26 PolarHBondContact O-N 3.06Å; S24-A26 WeakPolarHBondContact OG-CB 3.28Å; S24-A26 PolarHBondContact OG-N 2.89Å; S24-A26 VanDerWaalsContact OG-N 3.09Å; A26-K29 PolarHBondContact O-N 3.38Å; A26-L30 VanDerWaalsContact O-CB 3.28Å; A26-L30 WeakPolarHBondContact O-CB 3.48Å; A26-L30 PolarHBondContact O-N 3.06Å |
| 27 | E | 98.1 | Very high | 98 | Very high | 48 Ų | 48 | 58 Ų | 58 | 22% | 0.224 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.8 | -41.5 | 179.7 | -70.8 | 76 | -169 | 0 | 0 | 112 | F22 D25 L30 V31 P76 | F22-E27 HydrophobicContact CB-CG 4.47Å; F22-E27 WeakPolarHBondContact CB-OE2 3.31Å; F22-E27 VanDerWaalsContact CD1-CD 3.5Å; F22-E27 HydrophobicContact CD1-CG 3.82Å; F22-E27 HydrophobicContact CD2-CB 3.77Å; F22-E27 HydrophobicContact CD2-CG 3.71Å; F22-E27 HydrophobicContact CE1-CG 3.92Å; F22-E27 HydrophobicContact CE2-CB 4Å; F22-E27 HydrophobicContact CE2-CG 3.82Å; F22-E27 HydrophobicContact CG-CB 4.18Å; F22-E27 VanDerWaalsContact CG-CD 3.48Å; F22-E27 HydrophobicContact CG-CG 3.73Å; F22-E27 HydrophobicContact CZ-CG 3.94Å; D25-E27 VanDerWaalsContact C-N 3.35Å; D25-E27 PolarHBondContact O-N 3.03Å; E27-L30 PolarHBondContact O-N 2.89Å; E27-V31 WeakPolarHBondContact O-CG2 3.34Å; E27-V31 PolarHBondContact O-N 3.37Å; E27-P76 HydrophobicContact CB-CB 4.16Å; E27-P76 HydrophobicContact CB-CG 4.26Å; E27-P76 HydrophobicContact CG-CB 3.99Å |
| 28 | A | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 61 Ų | 61 | 2% | 0.017 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | L18 R19 D25 V31 H32 | L18-A28 HydrophobicContact CB-CB 3.85Å; R19-A28 HydrophobicContact CG-CB 3.65Å; D25-A28 PolarHBondContact O-N 3.03Å; A28-V31 PolarHBondContact O-N 3.3Å; A28-H32 WeakPolarHBondContact O-CB 3.38Å; A28-H32 PolarHBondContact O-N 3.28Å |
| 29 | K | 98.4 | Very high | 97.9 | Very high | 103 Ų | 103 | 64.9 Ų | 64.9 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 176.3 | -67 | 172.1 | -179.5 | 171.3 | 0 | 111.7 | D25 A26 V31 H32 D33 R166 | D25-K29 HydrophobicContact CB-CD 4.33Å; D25-K29 WeakPolarHBondContact O-CG 3.4Å; D25-K29 PolarHBondContact O-N 2.93Å; A26-K29 PolarHBondContact O-N 3.38Å; K29-V31 VanDerWaalsContact C-N 3.34Å; K29-V31 PolarHBondContact O-N 2.95Å; K29-H32 WeakPolarHBondContact O-CB 2.92Å; K29-H32 PolarHBondContact O-N 2.85Å; K29-D33 WeakPolarHBondContact O-CB 3.25Å; K29-D33 PolarHBondContact O-N 3.18Å; K29-D33 VanDerWaalsContact O-OD2 3.06Å; K29-R166 PolarHBondContact O-NH1 3.49Å |
| 30 | L | 98.5 | Very high | 97.9 | Very high | 14 Ų | 14 | 61.9 Ų | 61.9 | 7% | 0.073 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.6 | -48.9 | 177.4 | 172.4 | 64.5 | 0 | 0 | 0 | 110.9 | A26 E27 D33 L34 H163 F164 R166 | A26-L30 VanDerWaalsContact O-CB 3.28Å; A26-L30 WeakPolarHBondContact O-CB 3.48Å; A26-L30 PolarHBondContact O-N 3.06Å; E27-L30 PolarHBondContact O-N 2.89Å; L30-D33 PolarHBondContact O-N 2.84Å; L30-L34 HydrophobicContact CD1-CD1 3.78Å; L30-L34 HydrophobicContact CD1-CG 4.03Å; L30-L34 HydrophobicContact CG-CD1 3.87Å; L30-L34 HydrophobicContact CG-CG 4.48Å; L30-L34 WeakPolarHBondContact O-CB 3.34Å; L30-L34 VanDerWaalsContact O-CG 3.29Å; L30-L34 WeakPolarHBondContact O-CG 3.5Å; L30-L34 PolarHBondContact O-N 3.04Å; L30-H163 HydrophobicContact CD1-CB 3.92Å; L30-H163 WeakPolarHBondContact CD1-O 3.45Å; L30-F164 HydrophobicContact CD1-CD1 4.32Å; L30-F164 HydrophobicContact CD1-CD2 3.95Å; L30-F164 HydrophobicContact CD1-CE1 4.43Å; L30-F164 HydrophobicContact CD1-CE2 4.06Å; L30-F164 HydrophobicContact CD1-CG 4.09Å; L30-F164 HydrophobicContact CD1-CZ 4.3Å; L30-F164 HydrophobicContact CD2-CD1 3.91Å; L30-F164 HydrophobicContact CD2-CE1 3.63Å; L30-F164 HydrophobicContact CD2-CZ 3.98Å; L30-R166 VanDerWaalsContact N-NH1 3.14Å |
| 31 | V | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.1 | -37 | 179.9 | 169.2 | 0 | 0 | 0 | 0 | 111.9 | I14 L18 E27 A28 K29 R35 Y56 P76 | I14-V31 HydrophobicContact CG2-CG1 4.03Å; L18-V31 HydrophobicContact CD1-CB 3.88Å; L18-V31 HydrophobicContact CD1-CG1 4.23Å; L18-V31 HydrophobicContact CD1-CG2 3.69Å; E27-V31 WeakPolarHBondContact O-CG2 3.34Å; E27-V31 PolarHBondContact O-N 3.37Å; A28-V31 PolarHBondContact O-N 3.3Å; K29-V31 VanDerWaalsContact C-N 3.34Å; K29-V31 PolarHBondContact O-N 2.95Å; V31-R35 VanDerWaalsContact CG1-NH2 3.33Å; V31-R35 VanDerWaalsContact O-CB 3.31Å; V31-R35 WeakPolarHBondContact O-CB 3.23Å; V31-R35 PolarHBondContact O-N 3.09Å; V31-R35 VanDerWaalsContact O-N 3.16Å; V31-R35 PolarHBondContact O-NH1 2.84Å; V31-Y56 HydrophobicContact CG1-CE1 3.92Å; V31-Y56 HydrophobicContact CG2-CE1 3.99Å; V31-P76 HydrophobicContact CG2-CG 3.68Å |
| 32 | H | 98.4 | Very high | 98 | Very high | 100 Ų | 100 | 58.4 Ų | 58.4 | 46% | 0.463 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.5 | -53.8 | 171.8 | 173.7 | -81.5 | 0 | 0 | 0 | 111.1 | A28 K29 R35 E36 | A28-H32 WeakPolarHBondContact O-CB 3.38Å; A28-H32 PolarHBondContact O-N 3.28Å; K29-H32 WeakPolarHBondContact O-CB 2.92Å; K29-H32 PolarHBondContact O-N 2.85Å; H32-R35 PolarHBondContact O-N 2.85Å; H32-E36 WeakPolarHBondContact O-CB 3.14Å; H32-E36 PolarHBondContact O-N 3.18Å |
| 33 | D | 98.5 | Very high | 98 | Very high | 44 Ų | 44 | 56.1 Ų | 56.1 | 24% | 0.235 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.9 | -40.3 | -173.2 | -55.8 | -23.4 | 0 | 0 | 0 | 111.9 | K29 L30 R35 E36 D37 R166 | K29-D33 WeakPolarHBondContact O-CB 3.25Å; K29-D33 PolarHBondContact O-N 3.18Å; K29-D33 VanDerWaalsContact O-OD2 3.06Å; L30-D33 PolarHBondContact O-N 2.84Å; D33-R35 VanDerWaalsContact C-N 3.29Å; D33-R35 PolarHBondContact O-N 3.28Å; D33-E36 PolarHBondContact O-N 3.47Å; D33-D37 WeakPolarHBondContact O-CB 3.42Å; D33-D37 PolarHBondContact O-N 3.03Å; D33-R166 IonicContact OD2-CZ 2.67Å; D33-R166 VanDerWaalsContact OD2-CZ 3.3Å; D33-R166 IonicContact OD2-NH1 2.76Å; D33-R166 PolarHBondContact OD2-NH1 3Å; D33-R166 IonicContact OD2-NH2 3.2Å; D33-R166 PolarHBondContact OD2-NH2 3.19Å |
| 34 | L | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 172.9 | -73.7 | 170.2 | 0 | 0 | 0 | 111.8 | L30 G38 F39 L40 H161 H163 F164 | L30-L34 HydrophobicContact CD1-CD1 3.78Å; L30-L34 HydrophobicContact CD1-CG 4.03Å; L30-L34 HydrophobicContact CG-CD1 3.87Å; L30-L34 HydrophobicContact CG-CG 4.48Å; L30-L34 WeakPolarHBondContact O-CB 3.34Å; L30-L34 VanDerWaalsContact O-CG 3.29Å; L30-L34 WeakPolarHBondContact O-CG 3.5Å; L30-L34 PolarHBondContact O-N 3.04Å; L34-G38 PolarHBondContact O-N 3.13Å; L34-F39 HydrophobicContact CD2-CB 3.72Å; L34-F39 CarbonylContact O-C 3.49Å; L34-F39 WeakPolarHBondContact O-CA 3.17Å; L34-F39 PolarHBondContact O-N 2.6Å; L34-L40 HydrophobicContact CB-CB 4.39Å; L34-L40 PolarHBondContact O-N 2.83Å; L34-L40 VanDerWaalsContact O-N 3.08Å; L34-H161 HydrophobicContact CD2-CB 4.17Å; L34-H163 HydrophobicContact CD2-CB 4.11Å; L34-H163 HydrophobicContact CG-CB 4.36Å; L34-F164 HydrophobicContact CD1-CE2 3.83Å; L34-F164 HydrophobicContact CD1-CZ 4.11Å; L34-F164 HydrophobicContact CD2-CE2 4.17Å |
| 35 | R | 98.2 | Very high | 98.3 | Very high | 65 Ų | 65 | 44.7 Ų | 44.7 | 25% | 0.245 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.9 | -47.3 | 179.6 | -174.5 | -177.3 | -64.3 | 93.1 | 3.4 | 111.7 | E6 V31 H32 D33 D37 G38 L40 Y56 | E6-R35 VanDerWaalsContact CD-NH2 3.26Å; E6-R35 IonicContact OE1-CZ 3.68Å; E6-R35 IonicContact OE1-NE 2.85Å; E6-R35 PolarHBondContact OE1-NE 3.2Å; E6-R35 IonicContact OE1-NH2 3.7Å; E6-R35 PolarHBondContact OE1-NH2 3.46Å; E6-R35 IonicContact OE2-CZ 3.15Å; E6-R35 IonicContact OE2-NH2 3.42Å; E6-R35 PolarHBondContact OE2-NH2 3.03Å; V31-R35 VanDerWaalsContact CG1-NH2 3.33Å; V31-R35 VanDerWaalsContact O-CB 3.31Å; V31-R35 WeakPolarHBondContact O-CB 3.23Å; V31-R35 PolarHBondContact O-N 3.09Å; V31-R35 VanDerWaalsContact O-N 3.16Å; V31-R35 PolarHBondContact O-NH1 2.84Å; H32-R35 PolarHBondContact O-N 2.85Å; D33-R35 VanDerWaalsContact C-N 3.29Å; D33-R35 PolarHBondContact O-N 3.28Å; R35-D37 VanDerWaalsContact C-N 3.28Å; R35-D37 PolarHBondContact O-N 2.87Å; R35-G38 PolarHBondContact O-N 3Å; R35-L40 HydrophobicContact CB-CB 4.33Å; R35-L40 HydrophobicContact CB-CD2 4.18Å; R35-L40 HydrophobicContact CG-CD2 4.34Å; R35-Y56 PolarHBondContact NH2-OH 2.88Å; R35-Y56 VanDerWaalsContact NH2-OH 3.11Å |
| 36 | E | 97.7 | Very high | 98.4 | Very high | 144 Ų | 144 | 41.6 Ų | 41.6 | 67% | 0.673 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -59.7 | -41.5 | -178.1 | -171.8 | 66.6 | -170.5 | 0 | 0 | 111.3 | H32 D33 G38 | H32-E36 WeakPolarHBondContact O-CB 3.14Å; H32-E36 PolarHBondContact O-N 3.18Å; D33-E36 PolarHBondContact O-N 3.47Å; E36-G38 VanDerWaalsContact C-N 3.33Å; E36-G38 PolarHBondContact O-N 3.34Å |
| 37 | D | 98.1 | Very high | 98.4 | Very high | 92 Ų | 92 | 40.8 Ų | 40.8 | 49% | 0.492 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 3.6 | -178.8 | -65.5 | -27.4 | 0 | 0 | 0 | 113.6 | D33 R35 F39 H163 | D33-D37 WeakPolarHBondContact O-CB 3.42Å; D33-D37 PolarHBondContact O-N 3.03Å; R35-D37 VanDerWaalsContact C-N 3.28Å; R35-D37 PolarHBondContact O-N 2.87Å; D37-F39 HydrophobicContact CB-CD2 3.77Å; D37-F39 HydrophobicContact CB-CE2 4.05Å; D37-F39 WeakPolarHBondContact O-CD2 3.35Å; D37-H163 IonicContact OD2-CD2 3.69Å; D37-H163 IonicContact OD2-CE1 2.71Å; D37-H163 PolarHBondContact OD2-CE1 2.85Å; D37-H163 IonicContact OD2-NE2 3.64Å; D37-H163 PolarHBondContact OD2-NE2 3.02Å |
| 38 | G | 97.8 | Very high | 98.3 | Very high | 64 Ų | 64 | 39.9 Ų | 39.9 | 66% | 0.66 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | 19.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | L34 R35 E36 | L34-G38 PolarHBondContact O-N 3.13Å; R35-G38 PolarHBondContact O-N 3Å; E36-G38 VanDerWaalsContact C-N 3.33Å; E36-G38 PolarHBondContact O-N 3.34Å |
| 39 | F | 98.2 | Very high | 98.1 | Very high | 80 Ų | 80 | 46.9 Ų | 46.9 | 35% | 0.351 | 25% | 0.246 | S | C | . | . | trans | -98.8 | 5 | 177 | -67.4 | -77 | 0 | 0 | 0 | 114.1 | L34 D37 T41 S60 P61 H161 | L34-F39 HydrophobicContact CD2-CB 3.72Å; L34-F39 CarbonylContact O-C 3.49Å; L34-F39 WeakPolarHBondContact O-CA 3.17Å; L34-F39 PolarHBondContact O-N 2.6Å; D37-F39 HydrophobicContact CB-CD2 3.77Å; D37-F39 HydrophobicContact CB-CE2 4.05Å; D37-F39 WeakPolarHBondContact O-CD2 3.35Å; F39-T41 PolarHBondContact O-N 3.15Å; F39-S60 WeakPolarHBondContact O-CA 3.38Å; F39-S60 WeakPolarHBondContact O-CB 3.33Å; F39-P61 WeakPolarHBondContact O-CD 3.33Å; F39-H161 AromaticContact CD1-CD2 3.58Å; F39-H161 AromaticContact CD1-NE2 3.98Å; F39-H161 AromaticContact CD2-CD2 3.86Å; F39-H161 AromaticContact CD2-CE1 3.71Å; F39-H161 AromaticContact CD2-NE2 3.48Å; F39-H161 WeakPolarHBondContact CD2-NE2 3.45Å; F39-H161 AromaticContact CE1-CD2 3.59Å; F39-H161 AromaticContact CE1-NE2 3.74Å; F39-H161 AromaticContact CE2-CD2 3.87Å; F39-H161 AromaticContact CE2-CE1 3.76Å; F39-H161 AromaticContact CE2-NE2 3.21Å; F39-H161 WeakPolarHBondContact CE2-NE2 3.29Å; F39-H161 AromaticContact CG-CD2 3.71Å; F39-H161 AromaticContact CG-NE2 3.85Å; F39-H161 AromaticContact CZ-CD2 3.73Å; F39-H161 AromaticContact CZ-NE2 3.35Å; F39-H161 WeakPolarHBondContact CZ-NE2 3.49Å | ||
| 40 | L | 98.5 | Very high | 97.9 | Very high | 31 Ų | 31 | 50.7 Ų | 50.7 | 16% | 0.162 | 27% | 0.266 | C | S | . | . | trans | -84.3 | 98.9 | 170.2 | -168 | 76.5 | 0 | 0 | 0 | 109.8 | E6 L34 R35 A58 | E6-L40 WeakPolarHBondContact OE1-CD2 3.41Å; L34-L40 HydrophobicContact CB-CB 4.39Å; L34-L40 PolarHBondContact O-N 2.83Å; L34-L40 VanDerWaalsContact O-N 3.08Å; R35-L40 HydrophobicContact CB-CB 4.33Å; R35-L40 HydrophobicContact CB-CD2 4.18Å; R35-L40 HydrophobicContact CG-CD2 4.34Å; L40-A58 HydrophobicContact CD1-CB 3.73Å | ||
| 41 | T | 98.3 | Very high | 97.7 | Very high | 47 Ų | 47 | 52 Ų | 52 | 29% | 0.288 | 28% | 0.283 | S | S | . | . | trans | -68 | -48.8 | -178.2 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | F39 F59 P61 V72 Y105 | F39-T41 PolarHBondContact O-N 3.15Å; T41-F59 WeakPolarHBondContact CB-O 3.44Å; T41-F59 PolarHBondContact N-O 3.43Å; T41-P61 VanDerWaalsContact OG1-CD 3.25Å; T41-P61 WeakPolarHBondContact OG1-CD 3.14Å; T41-V72 HydrophobicContact CG2-CG1 4.14Å; T41-Y105 HydrophobicContact CG2-CE1 4.21Å; T41-Y105 HydrophobicContact CG2-CE2 3.92Å; T41-Y105 VanDerWaalsContact CG2-CZ 3.49Å; T41-Y105 WeakPolarHBondContact CG2-OH 3.28Å | ||
| 42 | L | 98.6 | Very high | 97.6 | Very high | 9 Ų | 9 | 56.3 Ų | 56.3 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 134.2 | -178.8 | 178.8 | 61.8 | 0 | 0 | 0 | 108.9 | V5 L44 A58 F59 L100 F103 | V5-L42 HydrophobicContact CG1-CD1 4.12Å; V5-L42 HydrophobicContact CG2-CD1 4.13Å; L42-L44 HydrophobicContact CD1-CD2 4.14Å; L42-L44 HydrophobicContact CG-CD2 4.48Å; L42-A58 CarbonylContact O-C 3.51Å; L42-A58 WeakPolarHBondContact O-CA 3.41Å; L42-F59 HydrophobicContact CB-CB 4.3Å; L42-F59 HydrophobicContact CB-CD2 3.99Å; L42-F59 HydrophobicContact CD2-CD2 4.08Å; L42-F59 HydrophobicContact CD2-CE2 4.29Å; L42-F59 HydrophobicContact CG-CD2 4.09Å; L42-F59 PolarHBondContact N-O 2.83Å; L42-F59 PolarHBondContact O-N 2.93Å; L42-L100 HydrophobicContact CB-CD2 4.38Å; L42-L100 HydrophobicContact CD2-CD2 4.06Å; L42-L100 HydrophobicContact CD2-CG 3.88Å; L42-F103 HydrophobicContact CD1-CE2 4.34Å; L42-F103 HydrophobicContact CD2-CE2 4.48Å |
| 43 | G | 98.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 135 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | V5 E6 V57 | V5-G43 CarbonylContact C-O 3.57Å; V5-G43 WeakPolarHBondContact CA-O 3.27Å; E6-G43 PolarHBondContact N-O 3.16Å; G43-V57 CarbonylContact C-O 3.54Å; G43-V57 WeakPolarHBondContact CA-O 3.38Å |
| 44 | L | 98.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 133.7 | 168.3 | -60.8 | -174.6 | 0 | 0 | 0 | 109.6 | I3 R4 V5 L42 Y56 V57 L92 E95 G96 | I3-L44 HydrophobicContact CG2-CD1 4.44Å; R4-L44 WeakPolarHBondContact O-CA 3.45Å; V5-L44 HydrophobicContact CB-CD2 4.39Å; V5-L44 HydrophobicContact CG2-CD2 3.88Å; L42-L44 HydrophobicContact CD1-CD2 4.14Å; L42-L44 HydrophobicContact CG-CD2 4.48Å; L44-Y56 WeakPolarHBondContact O-CA 3.46Å; L44-Y56 VanDerWaalsContact O-CD2 3.23Å; L44-Y56 WeakPolarHBondContact O-CD2 3.39Å; L44-V57 HydrophobicContact CB-CG1 3.85Å; L44-V57 HydrophobicContact CD1-CG1 4.49Å; L44-V57 HydrophobicContact CG-CG1 4.39Å; L44-V57 PolarHBondContact N-O 3.36Å; L44-V57 PolarHBondContact O-N 3.03Å; L44-L92 HydrophobicContact CB-CD2 4.05Å; L44-E95 HydrophobicContact CD1-CB 3.79Å; L44-G96 VanDerWaalsContact CD1-CA 3.46Å; L44-G96 VanDerWaalsContact CD1-N 3.27Å |
| 45 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 143.3 | 173.1 | -68.8 | 0 | 0 | 0 | 0 | 110.1 | I3 R4 E6 D10 I14 T47 V53 G55 Y56 | I3-V45 VanDerWaalsContact CA-O 3.32Å; I3-V45 WeakPolarHBondContact CA-O 3.32Å; R4-V45 HydrophobicContact CG-CG2 3.92Å; R4-V45 PolarHBondContact N-O 2.9Å; R4-V45 PolarHBondContact O-N 3.27Å; E6-V45 HydrophobicContact CB-CG1 4.13Å; D10-V45 HydrophobicContact CB-CG1 4.14Å; I14-V45 HydrophobicContact CD1-CG1 3.77Å; I14-V45 HydrophobicContact CG1-CG1 3.82Å; V45-T47 HydrophobicContact CB-CG2 4.41Å; V45-T47 HydrophobicContact CG2-CG2 4.11Å; V45-V53 HydrophobicContact CB-CG1 4.33Å; V45-V53 HydrophobicContact CG1-CG1 4.07Å; V45-V53 HydrophobicContact CG1-CG2 4.32Å; V45-G55 WeakPolarHBondContact CA-O 3.28Å; V45-Y56 HydrophobicContact CG1-CD2 3.68Å; V45-Y56 HydrophobicContact CG1-CE2 4.1Å |
| 46 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 123.2 | 158.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | L2 I3 I54 G55 L88 L92 | L2-A46 CarbonylContact O-C 3.6Å; L2-A46 VanDerWaalsContact O-CA 3.32Å; L2-A46 WeakPolarHBondContact O-CA 3.1Å; I3-A46 HydrophobicContact CG1-CB 4.1Å; A46-I54 HydrophobicContact CB-CG1 4.31Å; A46-I54 VanDerWaalsContact O-CG1 3.27Å; A46-I54 WeakPolarHBondContact O-CG1 3.4Å; A46-I54 PolarHBondContact O-N 3.45Å; A46-G55 PolarHBondContact N-O 3.45Å; A46-G55 PolarHBondContact O-N 2.99Å; A46-L88 HydrophobicContact CB-CD2 3.92Å; A46-L92 HydrophobicContact CB-CD1 4.37Å; A46-L92 HydrophobicContact CB-CD2 4.24Å |
| 47 | T | 98.3 | Very high | 97.7 | Very high | 6 Ų | 6 | 39.8 Ų | 39.8 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 148.1 | 176.7 | 67.2 | 0 | 0 | 0 | 0 | 112 | M1 L2 V45 Q52 V53 | M1-T47 CarbonylContact C-O 3.58Å; M1-T47 WeakPolarHBondContact CA-O 3.5Å; L2-T47 PolarHBondContact N-O 2.95Å; L2-T47 PolarHBondContact O-N 3.35Å; V45-T47 HydrophobicContact CB-CG2 4.41Å; V45-T47 HydrophobicContact CG2-CG2 4.11Å; T47-Q52 CarbonylContact C-O 3.51Å; T47-Q52 WeakPolarHBondContact CA-O 3.42Å; T47-V53 HydrophobicContact CG2-CG2 4.3Å |
| 48 | D | 96.4 | Very high | 97.8 | Very high | 28 Ų | 28 | 35.4 Ų | 35.4 | 15% | 0.15 | 20% | 0.204 | C | C | . | . | trans | -76.7 | -173.3 | 167 | 70.2 | 12 | 0 | 0 | 0 | 111.9 | E50 G51 Q52 I54 | D48-E50 PolarHBondContact O-N 2.85Å; D48-E50 WeakPolarHBondContact OD1-CA 3.47Å; D48-E50 PolarHBondContact OD1-N 2.88Å; D48-G51 PolarHBondContact O-N 3.37Å; D48-G51 PolarHBondContact OD1-N 3.23Å; D48-Q52 PolarHBondContact N-O 3.36Å; D48-Q52 WeakPolarHBondContact OD1-CB 3.3Å; D48-Q52 PolarHBondContact OD1-N 3.37Å; D48-Q52 WeakPolarHBondContact OD2-CB 3.25Å; D48-I54 HydrophobicContact CB-CD1 4.36Å | ||
| 49 | D | 93.8 | Very high | 97.8 | Very high | 149 Ų | 149 | 32.3 Ų | 32.3 | 80% | 0.797 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -15.2 | -176.9 | -59.8 | -22.4 | 0 | 0 | 0 | 112.9 | M1 | M1-D49 PolarHBondContact N-OD1 3.34Š|
| 50 | E | 94.6 | Very high | 97.9 | Very high | 183 Ų | 183 | 28.5 Ų | 28.5 | 86% | 0.855 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -4.2 | 173.8 | -61.1 | -174 | -178.5 | 0 | 0 | 112 | D48 | D48-E50 PolarHBondContact O-N 2.85Å; D48-E50 WeakPolarHBondContact OD1-CA 3.47Å; D48-E50 PolarHBondContact OD1-N 2.88Å |
| 51 | G | 94 | Very high | 97.9 | Very high | 42 Ų | 42 | 29.4 Ų | 29.4 | 43% | 0.433 | 16% | 0.163 | S | C | . | . | trans | 85.8 | 8.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D48 V53 | D48-G51 PolarHBondContact O-N 3.37Å; D48-G51 PolarHBondContact OD1-N 3.23Å; G51-V53 PolarHBondContact O-N 2.84Å | ||
| 52 | Q | 97.2 | Very high | 97.9 | Very high | 93 Ų | 93 | 27.2 Ų | 27.2 | 44% | 0.435 | 15% | 0.15 | S | C | . | . | trans | -68.8 | 131.2 | 175.8 | -175.9 | -178.6 | -6.9 | 0 | 0 | 110.1 | T47 D48 I54 | T47-Q52 CarbonylContact C-O 3.51Å; T47-Q52 WeakPolarHBondContact CA-O 3.42Å; D48-Q52 PolarHBondContact N-O 3.36Å; D48-Q52 WeakPolarHBondContact OD1-CB 3.3Å; D48-Q52 PolarHBondContact OD1-N 3.37Å; D48-Q52 WeakPolarHBondContact OD2-CB 3.25Å; Q52-I54 HydrophobicContact CG-CG2 4.39Å; Q52-I54 PolarHBondContact O-N 3.01Å | ||
| 53 | V | 98.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.024 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 114.5 | 173.5 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | D10 I14 L17 R20 V45 T47 G51 | D10-V53 HydrophobicContact CB-CG2 4.19Å; I14-V53 HydrophobicContact CG1-CG1 4.12Å; I14-V53 HydrophobicContact CG1-CG2 4.47Å; L17-V53 HydrophobicContact CD2-CG1 3.97Å; R20-V53 PolarHBondContact NH2-O 3.39Å; R20-V53 VanDerWaalsContact NH2-O 3.16Å; V45-V53 HydrophobicContact CB-CG1 4.33Å; V45-V53 HydrophobicContact CG1-CG1 4.07Å; V45-V53 HydrophobicContact CG1-CG2 4.32Å; T47-V53 HydrophobicContact CG2-CG2 4.3Å; G51-V53 PolarHBondContact O-N 2.84Å |
| 54 | I | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | -6.9 | -178.5 | 58.9 | 165.5 | 0 | 0 | 0 | 113 | M1 A46 D48 Q52 D80 Y83 L88 | M1-I54 HydrophobicContact CG-CD1 4.37Å; M1-I54 HydrophobicContact SD-CD1 4.4Å; A46-I54 HydrophobicContact CB-CG1 4.31Å; A46-I54 VanDerWaalsContact O-CG1 3.27Å; A46-I54 WeakPolarHBondContact O-CG1 3.4Å; A46-I54 PolarHBondContact O-N 3.45Å; D48-I54 HydrophobicContact CB-CD1 4.36Å; Q52-I54 HydrophobicContact CG-CG2 4.39Å; Q52-I54 PolarHBondContact O-N 3.01Å; I54-D80 HydrophobicContact CB-CB 4.3Å; I54-D80 WeakPolarHBondContact O-CB 3.4Å; I54-D80 PolarHBondContact O-N 3.27Å; I54-Y83 HydrophobicContact CB-CD2 4Å; I54-Y83 HydrophobicContact CB-CE2 4.09Å; I54-Y83 HydrophobicContact CB-CG 4.45Å; I54-Y83 HydrophobicContact CD1-CD1 3.82Å; I54-Y83 HydrophobicContact CD1-CD2 4.31Å; I54-Y83 HydrophobicContact CD1-CE1 3.91Å; I54-Y83 HydrophobicContact CD1-CE2 4.4Å; I54-Y83 HydrophobicContact CD1-CG 4.02Å; I54-Y83 HydrophobicContact CG2-CD2 4.05Å; I54-Y83 HydrophobicContact CG2-CE2 3.61Å; I54-L88 HydrophobicContact CD1-CD1 4.14Å |
| 55 | G | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 153.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V45 A46 A78 | V45-G55 WeakPolarHBondContact CA-O 3.28Å; A46-G55 PolarHBondContact N-O 3.45Å; A46-G55 PolarHBondContact O-N 2.99Å; G55-A78 CarbonylContact C-O 3.56Å; G55-A78 VanDerWaalsContact CA-O 3.23Å; G55-A78 WeakPolarHBondContact CA-O 3.49Å |
| 56 | Y | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 142.4 | -177.6 | -173.5 | -114.4 | 0 | 0 | 0 | 111.9 | E6 I14 L18 V31 R35 L44 V45 A58 P76 L77 A78 | E6-Y56 HydrophobicContact CB-CE2 4.49Å; E6-Y56 WeakPolarHBondContact OE2-CE2 3.43Å; E6-Y56 VanDerWaalsContact OE2-CZ 3.24Å; E6-Y56 PolarHBondContact OE2-OH 3.28Å; I14-Y56 HydrophobicContact CD1-CD2 3.92Å; I14-Y56 HydrophobicContact CD1-CE2 3.47Å; I14-Y56 VanDerWaalsContact CD1-CE2 3.47Å; I14-Y56 HydrophobicContact CG1-CD2 3.79Å; I14-Y56 HydrophobicContact CG1-CE2 3.86Å; I14-Y56 HydrophobicContact CG1-CG 4.32Å; I14-Y56 HydrophobicContact CG2-CD1 3.79Å; I14-Y56 HydrophobicContact CG2-CD2 4.11Å; I14-Y56 HydrophobicContact CG2-CE1 3.68Å; I14-Y56 HydrophobicContact CG2-CE2 4.02Å; I14-Y56 HydrophobicContact CG2-CG 3.97Å; L18-Y56 HydrophobicContact CD1-CD1 4.35Å; L18-Y56 HydrophobicContact CD1-CE1 4.46Å; L18-Y56 HydrophobicContact CD2-CD1 4.22Å; V31-Y56 HydrophobicContact CG1-CE1 3.92Å; V31-Y56 HydrophobicContact CG2-CE1 3.99Å; R35-Y56 PolarHBondContact NH2-OH 2.88Å; R35-Y56 VanDerWaalsContact NH2-OH 3.11Å; L44-Y56 WeakPolarHBondContact O-CA 3.46Å; L44-Y56 VanDerWaalsContact O-CD2 3.23Å; L44-Y56 WeakPolarHBondContact O-CD2 3.39Å; V45-Y56 HydrophobicContact CG1-CD2 3.68Å; V45-Y56 HydrophobicContact CG1-CE2 4.1Å; Y56-A58 HydrophobicContact CE1-CB 3.65Å; Y56-P76 HydrophobicContact CD1-CG 4.35Å; Y56-P76 HydrophobicContact CE1-CG 4.49Å; Y56-L77 WeakPolarHBondContact O-CA 3.41Å; Y56-A78 PolarHBondContact N-O 2.86Å; Y56-A78 PolarHBondContact O-N 3Å |
| 57 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 140.3 | 165.2 | 63.4 | 0 | 0 | 0 | 0 | 109.3 | G43 L44 F59 M74 P76 L77 L92 | G43-V57 CarbonylContact C-O 3.54Å; G43-V57 WeakPolarHBondContact CA-O 3.38Å; L44-V57 HydrophobicContact CB-CG1 3.85Å; L44-V57 HydrophobicContact CD1-CG1 4.49Å; L44-V57 HydrophobicContact CG-CG1 4.39Å; L44-V57 PolarHBondContact N-O 3.36Å; L44-V57 PolarHBondContact O-N 3.03Å; V57-F59 HydrophobicContact CG1-CE2 3.95Å; V57-F59 HydrophobicContact CG1-CZ 4.33Å; V57-F59 HydrophobicContact CG2-CE1 4.47Å; V57-F59 HydrophobicContact CG2-CE2 3.94Å; V57-F59 HydrophobicContact CG2-CZ 3.8Å; V57-M74 HydrophobicContact CG2-CG 3.58Å; V57-M74 HydrophobicContact CG2-SD 3.79Å; V57-P76 WeakPolarHBondContact CA-O 3.28Å; V57-L77 HydrophobicContact CB-CD1 3.87Å; V57-L77 HydrophobicContact CG2-CD1 4.07Å; V57-L92 HydrophobicContact CB-CB 4.38Å; V57-L92 HydrophobicContact CG1-CB 3.91Å; V57-L92 HydrophobicContact CG1-CD2 4.26Å |
| 58 | A | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 153.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L40 L42 Y56 M74 A75 P76 | L40-A58 HydrophobicContact CD1-CB 3.73Å; L42-A58 CarbonylContact O-C 3.51Å; L42-A58 WeakPolarHBondContact O-CA 3.41Å; Y56-A58 HydrophobicContact CE1-CB 3.65Å; A58-M74 CarbonylContact O-C 3.59Å; A58-M74 WeakPolarHBondContact O-CA 3.32Å; A58-A75 WeakPolarHBondContact CB-O 3.38Å; A58-A75 PolarHBondContact O-N 3.19Å; A58-P76 PolarHBondContact N-O 2.87Å |
| 59 | F | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 136.4 | 179.2 | -53.6 | -90.5 | 0 | 0 | 0 | 109.8 | T41 L42 V57 V72 G73 M74 L100 V108 | T41-F59 WeakPolarHBondContact CB-O 3.44Å; T41-F59 PolarHBondContact N-O 3.43Å; L42-F59 HydrophobicContact CB-CB 4.3Å; L42-F59 HydrophobicContact CB-CD2 3.99Å; L42-F59 HydrophobicContact CD2-CD2 4.08Å; L42-F59 HydrophobicContact CD2-CE2 4.29Å; L42-F59 HydrophobicContact CG-CD2 4.09Å; L42-F59 PolarHBondContact N-O 2.83Å; L42-F59 PolarHBondContact O-N 2.93Å; V57-F59 HydrophobicContact CG1-CE2 3.95Å; V57-F59 HydrophobicContact CG1-CZ 4.33Å; V57-F59 HydrophobicContact CG2-CE1 4.47Å; V57-F59 HydrophobicContact CG2-CE2 3.94Å; V57-F59 HydrophobicContact CG2-CZ 3.8Å; F59-V72 HydrophobicContact CB-CB 4.22Å; F59-V72 HydrophobicContact CB-CG2 4.12Å; F59-V72 HydrophobicContact CD1-CG2 4.11Å; F59-V72 HydrophobicContact CG-CG2 4.49Å; F59-G73 VanDerWaalsContact CA-O 3.29Å; F59-G73 WeakPolarHBondContact CA-O 3.09Å; F59-M74 HydrophobicContact CD1-CB 3.7Å; F59-M74 HydrophobicContact CD1-CG 3.94Å; F59-M74 HydrophobicContact CE1-CB 3.58Å; F59-M74 HydrophobicContact CE1-CG 3.47Å; F59-M74 VanDerWaalsContact CE1-CG 3.47Å; F59-M74 HydrophobicContact CE1-SD 3.87Å; F59-M74 HydrophobicContact CZ-CG 4.03Å; F59-M74 HydrophobicContact CZ-SD 4.16Å; F59-L100 HydrophobicContact CB-CD1 4.36Å; F59-L100 HydrophobicContact CD1-CD1 3.49Å; F59-L100 VanDerWaalsContact CD1-CD1 3.49Å; F59-L100 HydrophobicContact CD2-CD1 4.12Å; F59-L100 HydrophobicContact CE1-CD1 3.64Å; F59-L100 HydrophobicContact CE2-CD1 4.27Å; F59-L100 HydrophobicContact CG-CD1 3.74Å; F59-L100 HydrophobicContact CZ-CD1 4.04Å; F59-V108 HydrophobicContact CD1-CG1 4.1Å; F59-V108 HydrophobicContact CE1-CG1 4Å |
| 60 | S | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 157 | 177.8 | 59.2 | 0 | 0 | 0 | 0 | 110.7 | F39 V72 G73 F164 | F39-S60 WeakPolarHBondContact O-CA 3.38Å; F39-S60 WeakPolarHBondContact O-CB 3.33Å; S60-V72 CarbonylContact O-C 3.52Å; S60-V72 VanDerWaalsContact O-CA 3.24Å; S60-V72 WeakPolarHBondContact O-CA 3.35Å; S60-V72 WeakPolarHBondContact O-CB 3.35Å; S60-G73 PolarHBondContact N-O 2.9Å; S60-G73 VanDerWaalsContact N-O 3.08Å; S60-G73 PolarHBondContact O-N 3.5Å; S60-F164 VanDerWaalsContact OG-CE2 3.27Å; S60-F164 WeakPolarHBondContact OG-CE2 3.49Å; S60-F164 WeakPolarHBondContact OG-CZ 3.39Å |
| 61 | P | 98.6 | Very high | 98.1 | Very high | 49 Ų | 49 | 38.4 Ų | 38.4 | 32% | 0.318 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 147.8 | -178.1 | -21.8 | 33.9 | 0 | 0 | 0 | 112.8 | F39 T41 | F39-P61 WeakPolarHBondContact O-CD 3.33Å; T41-P61 VanDerWaalsContact OG1-CD 3.25Å; T41-P61 WeakPolarHBondContact OG1-CD 3.14Å |
| 62 | V | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 147 | 165.7 | -58.2 | 0 | 0 | 0 | 0 | 109.9 | W71 V109 V158 E159 Y160 | V62-W71 HydrophobicContact CG2-CB 3.52Å; V62-W71 PolarHBondContact N-O 3.45Å; V62-W71 VanDerWaalsContact N-O 3.17Å; V62-V109 HydrophobicContact CG1-CG2 4.09Å; V62-V109 HydrophobicContact CG2-CG2 3.9Å; V62-V158 HydrophobicContact CB-CG1 3.77Å; V62-V158 HydrophobicContact CG1-CG1 4.35Å; V62-V158 HydrophobicContact CG2-CG1 3.71Å; V62-E159 CarbonylContact C-O 3.5Å; V62-E159 WeakPolarHBondContact CA-O 3.35Å; V62-E159 WeakPolarHBondContact CB-O 3.35Å; V62-Y160 HydrophobicContact CG1-CD1 3.86Å; V62-Y160 HydrophobicContact CG1-CD2 3.93Å; V62-Y160 HydrophobicContact CG1-CE1 4.06Å; V62-Y160 HydrophobicContact CG1-CE2 4.09Å; V62-Y160 HydrophobicContact CG1-CG 3.81Å |
| 63 | D | 98.5 | Very high | 98.4 | Very high | 64 Ų | 64 | 32 Ų | 32 | 34% | 0.342 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 149.8 | 173.7 | -64.9 | -37.5 | 0 | 0 | 0 | 110.4 | E67 V158 E159 | D63-E67 WeakPolarHBondContact CA-O 3.23Å; D63-V158 CarbonylContact O-C 3.6Å; D63-V158 VanDerWaalsContact O-CA 3.27Å; D63-V158 WeakPolarHBondContact O-CA 3.16Å; D63-E159 PolarHBondContact N-O 3.17Å; D63-E159 PolarHBondContact O-N 3.16Å |
| 64 | V | 98.5 | Very high | 98.4 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.024 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 118.1 | 172.6 | -171.1 | 0 | 0 | 0 | 0 | 108.7 | G66 E67 L69 W71 L130 V154 L157 V158 | V64-G66 PolarHBondContact O-N 3.42Å; V64-E67 PolarHBondContact N-O 2.87Å; V64-E67 WeakPolarHBondContact O-CB 3.49Å; V64-E67 PolarHBondContact O-N 3.3Å; V64-L69 HydrophobicContact CB-CD1 3.88Å; V64-L69 HydrophobicContact CB-CG 4.46Å; V64-L69 HydrophobicContact CG2-CD1 4.12Å; V64-W71 HydrophobicContact CG2-CD2 3.97Å; V64-W71 HydrophobicContact CG2-CE3 3.75Å; V64-W71 HydrophobicContact CG2-CZ3 4.06Å; V64-L130 HydrophobicContact CG1-CD2 3.99Å; V64-V154 HydrophobicContact CB-CG1 4.28Å; V64-V154 HydrophobicContact CG1-CG1 3.78Å; V64-V154 HydrophobicContact CG2-CG1 4.3Å; V64-L157 WeakPolarHBondContact CA-O 3.26Å; V64-V158 HydrophobicContact CG2-CG2 4.25Å |
| 65 | Q | 97.5 | Very high | 98.4 | Very high | 124 Ų | 124 | 33 Ų | 33 | 58% | 0.579 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 31.3 | -172.9 | -60.9 | -88.6 | 19.9 | 0 | 0 | 112.9 | E67 T155 L157 | Q65-E67 VanDerWaalsContact C-N 3.28Å; Q65-E67 PolarHBondContact O-N 2.89Å; Q65-T155 VanDerWaalsContact CG-O 3.29Å; Q65-T155 WeakPolarHBondContact CG-O 3.47Å; Q65-T155 PolarHBondContact NE2-O 3.09Å; Q65-L157 PolarHBondContact N-O 3.27Å |
| 66 | G | 97.6 | Very high | 98.4 | Very high | 46 Ų | 46 | 33.3 Ų | 33.3 | 47% | 0.474 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 8.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | V64 | V64-G66 PolarHBondContact O-N 3.42Š|
| 67 | E | 97.9 | Very high | 98.4 | Very high | 129 Ų | 129 | 34.4 Ų | 34.4 | 60% | 0.603 | 19% | 0.19 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 135.8 | 176.1 | -62.1 | -73.1 | 169.6 | 0 | 0 | 110.8 | D63 V64 Q65 L69 | D63-E67 WeakPolarHBondContact CA-O 3.23Å; V64-E67 PolarHBondContact N-O 2.87Å; V64-E67 WeakPolarHBondContact O-CB 3.49Å; V64-E67 PolarHBondContact O-N 3.3Å; Q65-E67 VanDerWaalsContact C-N 3.28Å; Q65-E67 PolarHBondContact O-N 2.89Å; E67-L69 HydrophobicContact CB-CD2 4.24Å; E67-L69 PolarHBondContact O-N 2.89Å |
| 68 | D | 97.5 | Very high | 98.3 | Very high | 97 Ų | 97 | 34.7 Ų | 34.7 | 52% | 0.519 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 103.7 | 172.3 | 177 | 6.1 | 0 | 0 | 0 | 109.7 | Q70 | D68-Q70 WeakPolarHBondContact OD1-CA 3.37Å; D68-Q70 PolarHBondContact OD1-N 3.11Å; D68-Q70 PolarHBondContact OD1-NE2 2.77Å; D68-Q70 PolarHBondContact OD2-NE2 3.06Å |
| 69 | L | 97.5 | Very high | 98.3 | Very high | 66 Ų | 66 | 35.3 Ų | 35.3 | 35% | 0.346 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 17.5 | 177.8 | -57.7 | -174.9 | 0 | 0 | 0 | 113 | V64 E67 W71 V154 | V64-L69 HydrophobicContact CB-CD1 3.88Å; V64-L69 HydrophobicContact CB-CG 4.46Å; V64-L69 HydrophobicContact CG2-CD1 4.12Å; E67-L69 HydrophobicContact CB-CD2 4.24Å; E67-L69 PolarHBondContact O-N 2.89Å; L69-W71 HydrophobicContact CB-CG 4.44Å; L69-W71 VanDerWaalsContact O-CD1 3.23Å; L69-V154 HydrophobicContact CD1-CB 4.43Å; L69-V154 HydrophobicContact CD1-CG1 3.55Å; L69-V154 HydrophobicContact CD1-CG2 3.98Å |
| 70 | Q | 97.7 | Very high | 98.3 | Very high | 82 Ų | 82 | 36 Ų | 36 | 38% | 0.383 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 57.9 | 47.7 | -170.8 | -51.7 | -57.9 | -66.8 | 0 | 0 | 111.6 | D68 Y105 A106 | D68-Q70 WeakPolarHBondContact OD1-CA 3.37Å; D68-Q70 PolarHBondContact OD1-N 3.11Å; D68-Q70 PolarHBondContact OD1-NE2 2.77Å; D68-Q70 PolarHBondContact OD2-NE2 3.06Å; Q70-Y105 HydrophobicContact CB-CD1 4.28Å; Q70-Y105 CarbonylContact O-C 3.58Å; Q70-Y105 WeakPolarHBondContact O-CA 3.33Å; Q70-Y105 WeakPolarHBondContact O-CD1 3.44Å; Q70-A106 PolarHBondContact O-N 2.55Å |
| 71 | W | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 1% | 0.011 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 152 | 174.3 | -75.2 | 29.6 | 0 | 0 | 0 | 110.2 | V62 V64 L69 A107 V109 L130 V143 L151 V154 V158 | V62-W71 HydrophobicContact CG2-CB 3.52Å; V62-W71 PolarHBondContact N-O 3.45Å; V62-W71 VanDerWaalsContact N-O 3.17Å; V64-W71 HydrophobicContact CG2-CD2 3.97Å; V64-W71 HydrophobicContact CG2-CE3 3.75Å; V64-W71 HydrophobicContact CG2-CZ3 4.06Å; L69-W71 HydrophobicContact CB-CG 4.44Å; L69-W71 VanDerWaalsContact O-CD1 3.23Å; W71-A107 WeakPolarHBondContact CA-O 3.37Å; W71-A107 HydrophobicContact CD2-CB 3.67Å; W71-A107 VanDerWaalsContact CE2-CB 3.49Å; W71-A107 HydrophobicContact CE3-CB 4.15Å; W71-A107 HydrophobicContact CG-CB 4.03Å; W71-A107 HydrophobicContact CH2-CB 4.34Å; W71-A107 HydrophobicContact CZ2-CB 3.87Å; W71-A107 HydrophobicContact CZ3-CB 4.46Å; W71-V109 HydrophobicContact CE3-CG1 3.9Å; W71-V109 HydrophobicContact CZ3-CG1 3.9Å; W71-L130 HydrophobicContact CH2-CD1 3.6Å; W71-L130 HydrophobicContact CH2-CD2 4.25Å; W71-L130 HydrophobicContact CZ3-CD1 3.83Å; W71-L130 HydrophobicContact CZ3-CD2 4.24Å; W71-V143 HydrophobicContact CH2-CG2 4.24Å; W71-V143 HydrophobicContact CZ3-CG2 4.04Å; W71-L151 HydrophobicContact CH2-CD2 3.4Å; W71-L151 VanDerWaalsContact CH2-CD2 3.4Å; W71-L151 HydrophobicContact CZ2-CD2 3.43Å; W71-L151 VanDerWaalsContact CZ2-CD2 3.43Å; W71-L151 HydrophobicContact CZ3-CD2 4.41Å; W71-V154 HydrophobicContact CH2-CG1 3.85Å; W71-V154 HydrophobicContact CZ2-CB 4.24Å; W71-V154 HydrophobicContact CZ2-CG1 3.67Å; W71-V158 HydrophobicContact CZ3-CG2 4.5Å |
| 72 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 152.6 | 173.6 | -66 | 0 | 0 | 0 | 0 | 111.9 | T41 F59 S60 L100 Y105 A107 V108 V109 | T41-V72 HydrophobicContact CG2-CG1 4.14Å; F59-V72 HydrophobicContact CB-CB 4.22Å; F59-V72 HydrophobicContact CB-CG2 4.12Å; F59-V72 HydrophobicContact CD1-CG2 4.11Å; F59-V72 HydrophobicContact CG-CG2 4.49Å; S60-V72 CarbonylContact O-C 3.52Å; S60-V72 VanDerWaalsContact O-CA 3.24Å; S60-V72 WeakPolarHBondContact O-CA 3.35Å; S60-V72 WeakPolarHBondContact O-CB 3.35Å; V72-L100 HydrophobicContact CG2-CD1 3.64Å; V72-L100 HydrophobicContact CG2-CD2 4Å; V72-L100 HydrophobicContact CG2-CG 4.44Å; V72-Y105 HydrophobicContact CG1-CD1 3.64Å; V72-Y105 HydrophobicContact CG1-CE1 3.57Å; V72-Y105 HydrophobicContact CG1-CG 4.41Å; V72-A107 PolarHBondContact N-O 3.4Å; V72-A107 VanDerWaalsContact N-O 3.14Å; V72-V108 HydrophobicContact CG2-CB 4.46Å; V72-V108 HydrophobicContact CG2-CG1 4.39Å; V72-V108 HydrophobicContact CG2-CG2 3.77Å; V72-V108 CarbonylContact O-C 3.6Å; V72-V108 VanDerWaalsContact O-CA 3.27Å; V72-V108 WeakPolarHBondContact O-CA 3.32Å; V72-V109 PolarHBondContact O-N 3.26Å |
| 73 | G | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 124.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | F59 S60 V109 | F59-G73 VanDerWaalsContact CA-O 3.29Å; F59-G73 WeakPolarHBondContact CA-O 3.09Å; S60-G73 PolarHBondContact N-O 2.9Å; S60-G73 VanDerWaalsContact N-O 3.08Å; S60-G73 PolarHBondContact O-N 3.5Å; G73-V109 CarbonylContact C-O 3.52Å; G73-V109 WeakPolarHBondContact CA-O 3.31Å |
| 74 | M | 98.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 110.8 | 174 | -175.5 | -178.2 | 69.2 | 0 | 0 | 110.6 | V57 A58 F59 V93 V108 V109 T110 Y117 F122 | V57-M74 HydrophobicContact CG2-CG 3.58Å; V57-M74 HydrophobicContact CG2-SD 3.79Å; A58-M74 CarbonylContact O-C 3.59Å; A58-M74 WeakPolarHBondContact O-CA 3.32Å; F59-M74 HydrophobicContact CD1-CB 3.7Å; F59-M74 HydrophobicContact CD1-CG 3.94Å; F59-M74 HydrophobicContact CE1-CB 3.58Å; F59-M74 HydrophobicContact CE1-CG 3.47Å; F59-M74 VanDerWaalsContact CE1-CG 3.47Å; F59-M74 HydrophobicContact CE1-SD 3.87Å; F59-M74 HydrophobicContact CZ-CG 4.03Å; F59-M74 HydrophobicContact CZ-SD 4.16Å; M74-V93 HydrophobicContact CE-CG2 4.36Å; M74-V93 HydrophobicContact SD-CG1 4.18Å; M74-V93 HydrophobicContact SD-CG2 3.89Å; M74-V108 HydrophobicContact CB-CG1 3.71Å; M74-V109 PolarHBondContact N-O 2.94Å; M74-T110 HydrophobicContact CE-CG2 4.1Å; M74-T110 PolarHBondContact O-OG1 3.43Å; M74-Y117 HydrophobicContact CE-CD1 3.69Å; M74-Y117 HydrophobicContact CE-CE1 3.35Å; M74-F122 HydrophobicContact CE-CE2 4.17Å; M74-F122 HydrophobicContact CE-CZ 3.84Å; M74-F122 HydrophobicContact SD-CZ 4.31Å |
| 75 | A | 98.2 | Very high | 97.7 | Very high | 24 Ų | 24 | 59.2 Ų | 59.2 | 20% | 0.198 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.8 | 144.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A58 F164 | A58-A75 WeakPolarHBondContact CB-O 3.38Å; A58-A75 PolarHBondContact O-N 3.19Å; A75-F164 HydrophobicContact CB-CE1 3.74Å; A75-F164 HydrophobicContact CB-CZ 4.2Å |
| 76 | P | 98.4 | Very high | 97.6 | Very high | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | cis | -77.8 | 172 | -12.2 | 32.6 | -36.5 | 0 | 0 | 0 | 112.1 | L18 F22 E27 V31 Y56 V57 A58 | L18-P76 HydrophobicContact CD1-CG 4.04Å; L18-P76 HydrophobicContact CD2-CB 4.14Å; L18-P76 HydrophobicContact CD2-CG 3.52Å; L18-P76 HydrophobicContact CG-CG 4.44Å; F22-P76 HydrophobicContact CE2-CB 4Å; F22-P76 HydrophobicContact CZ-CB 3.83Å; E27-P76 HydrophobicContact CB-CB 4.16Å; E27-P76 HydrophobicContact CB-CG 4.26Å; E27-P76 HydrophobicContact CG-CB 3.99Å; V31-P76 HydrophobicContact CG2-CG 3.68Å; Y56-P76 HydrophobicContact CD1-CG 4.35Å; Y56-P76 HydrophobicContact CE1-CG 4.49Å; V57-P76 WeakPolarHBondContact CA-O 3.28Å; A58-P76 PolarHBondContact N-O 2.87Å |
| 77 | L | 98.6 | Very high | 97.5 | Very high | 23 Ų | 23 | 58.6 Ų | 58.6 | 12% | 0.12 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 120.2 | 164.8 | 172.9 | 64.7 | 0 | 0 | 0 | 108.3 | Y56 V57 A89 L92 V93 Y117 F120 | Y56-L77 WeakPolarHBondContact O-CA 3.41Å; V57-L77 HydrophobicContact CB-CD1 3.87Å; V57-L77 HydrophobicContact CG2-CD1 4.07Å; L77-A89 HydrophobicContact CD1-CB 4.48Å; L77-A89 HydrophobicContact CD2-CB 4.42Å; L77-L92 HydrophobicContact CD1-CB 4.39Å; L77-V93 HydrophobicContact CD1-CG2 3.93Å; L77-V93 HydrophobicContact CD2-CG2 3.66Å; L77-V93 HydrophobicContact CG-CG2 4.44Å; L77-Y117 HydrophobicContact CD2-CE1 4.06Å; L77-F120 HydrophobicContact CD2-CE2 4.09Å |
| 78 | A | 98.5 | Very high | 97.4 | Very high | 6 Ų | 6 | 52.6 Ų | 52.6 | 5% | 0.05 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 142.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L17 L18 F22 G55 Y56 | L17-A78 HydrophobicContact CD2-CB 4.29Å; L17-A78 HydrophobicContact CG-CB 4.33Å; L18-A78 HydrophobicContact CD2-CB 3.91Å; F22-A78 HydrophobicContact CE2-CB 3.92Å; F22-A78 HydrophobicContact CZ-CB 4.37Å; G55-A78 CarbonylContact C-O 3.56Å; G55-A78 VanDerWaalsContact CA-O 3.23Å; G55-A78 WeakPolarHBondContact CA-O 3.49Å; Y56-A78 PolarHBondContact N-O 2.86Å; Y56-A78 PolarHBondContact O-N 3Å |
| 79 | V | 98.4 | Very high | 97.4 | Very high | 12 Ų | 12 | 49.3 Ų | 49.3 | 7% | 0.073 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 131 | 166.6 | 178.3 | 0 | 0 | 0 | 0 | 107.4 | E81 R84 L88 A89 L92 | V79-E81 PolarHBondContact O-N 3.06Å; V79-R84 HydrophobicContact CB-CG 4.36Å; V79-R84 HydrophobicContact CG1-CG 4.24Å; V79-R84 PolarHBondContact O-NE 3.3Å; V79-L88 HydrophobicContact CG1-CB 4.02Å; V79-L88 HydrophobicContact CG1-CD1 3.95Å; V79-L88 HydrophobicContact CG2-CB 3.95Å; V79-A89 HydrophobicContact CG2-CB 3.84Å; V79-L92 HydrophobicContact CG2-CD1 4.3Å |
| 80 | D | 98.2 | Very high | 97.4 | Very high | 14 Ų | 14 | 54.3 Ų | 54.3 | 8% | 0.075 | 28% | 0.282 | C | S | . | . | trans | -53.3 | 135.2 | 176.4 | -172.6 | -64.7 | 0 | 0 | 0 | 109.8 | L17 R20 I54 K82 Y83 R84 | L17-D80 HydrophobicContact CD1-CB 3.82Å; R20-D80 IonicContact CZ-OD2 2.89Å; R20-D80 IonicContact NE-OD2 2.75Å; R20-D80 PolarHBondContact NE-OD2 3.22Å; R20-D80 IonicContact NH2-OD2 3.3Å; R20-D80 PolarHBondContact NH2-OD2 2.81Å; I54-D80 HydrophobicContact CB-CB 4.3Å; I54-D80 WeakPolarHBondContact O-CB 3.4Å; I54-D80 PolarHBondContact O-N 3.27Å; D80-K82 PolarHBondContact O-N 2.7Å; D80-K82 VanDerWaalsContact O-N 3.07Å; D80-K82 PolarHBondContact OD1-N 3.33Å; D80-K82 VanDerWaalsContact OD1-N 3.1Å; D80-Y83 HydrophobicContact CB-CD2 3.95Å; D80-Y83 PolarHBondContact O-N 2.71Å; D80-R84 PolarHBondContact O-N 2.93Å | ||
| 81 | E | 97.7 | Very high | 97.4 | Very high | 151 Ų | 151 | 54.6 Ų | 54.6 | 71% | 0.706 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -52 | -37.4 | -172.8 | -170 | 179.3 | 179.8 | 0 | 0 | 112.7 | V79 Y83 R84 | V79-E81 PolarHBondContact O-N 3.06Å; E81-Y83 PolarHBondContact O-N 2.9Å; E81-R84 PolarHBondContact O-N 2.87Å |
| 82 | K | 96.8 | Very high | 97.4 | Very high | 174 Ų | 174 | 54.5 Ų | 54.5 | 76% | 0.757 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -64.2 | -21.1 | 179.9 | -63 | 177.3 | -177 | 174.6 | 0 | 113.6 | D80 | D80-K82 PolarHBondContact O-N 2.7Å; D80-K82 VanDerWaalsContact O-N 3.07Å; D80-K82 PolarHBondContact OD1-N 3.33Å; D80-K82 VanDerWaalsContact OD1-N 3.1Å |
| 83 | Y | 96.7 | Very high | 97.4 | Very high | 63 Ų | 63 | 54.5 Ų | 54.5 | 25% | 0.247 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -114.1 | 5 | -174.7 | -57.7 | -93.9 | 0 | 0 | 0 | 113.3 | I54 D80 E81 | I54-Y83 HydrophobicContact CB-CD2 4Å; I54-Y83 HydrophobicContact CB-CE2 4.09Å; I54-Y83 HydrophobicContact CB-CG 4.45Å; I54-Y83 HydrophobicContact CD1-CD1 3.82Å; I54-Y83 HydrophobicContact CD1-CD2 4.31Å; I54-Y83 HydrophobicContact CD1-CE1 3.91Å; I54-Y83 HydrophobicContact CD1-CE2 4.4Å; I54-Y83 HydrophobicContact CD1-CG 4.02Å; I54-Y83 HydrophobicContact CG2-CD2 4.05Å; I54-Y83 HydrophobicContact CG2-CE2 3.61Å; D80-Y83 HydrophobicContact CB-CD2 3.95Å; D80-Y83 PolarHBondContact O-N 2.71Å; E81-Y83 PolarHBondContact O-N 2.9Å |
| 84 | R | 95.1 | Very high | 97.4 | Very high | 131 Ų | 131 | 61.7 Ų | 61.7 | 49% | 0.494 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 153.6 | 175.3 | -68.6 | 178.3 | -174.9 | 175.2 | -4.2 | 111.2 | V79 D80 E81 Q86 | V79-R84 HydrophobicContact CB-CG 4.36Å; V79-R84 HydrophobicContact CG1-CG 4.24Å; V79-R84 PolarHBondContact O-NE 3.3Å; D80-R84 PolarHBondContact O-N 2.93Å; E81-R84 PolarHBondContact O-N 2.87Å; R84-Q86 PolarHBondContact O-N 3.44Å |
| 85 | G | 94.2 | Very high | 97.4 | Very high | 89 Ų | 89 | 65.7 Ų | 65.7 | 92% | 0.918 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | -2.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 86 | Q | 95 | Very high | 97.4 | Very high | 120 Ų | 120 | 64.6 Ų | 64.6 | 56% | 0.561 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -93.9 | 6.4 | 180 | -55.5 | -176.4 | 29 | 0 | 0 | 113.6 | R84 | R84-Q86 PolarHBondContact O-N 3.44Š|
| 87 | G | 95.9 | Very high | 97.4 | Very high | 37 Ų | 37 | 64.8 Ų | 64.8 | 38% | 0.381 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 84.5 | 0.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | A89 R90 Q91 | G87-A89 PolarHBondContact O-N 2.91Å; G87-R90 WeakPolarHBondContact O-CB 3.29Å; G87-R90 PolarHBondContact O-N 2.91Å; G87-Q91 PolarHBondContact O-N 3.32Å |
| 88 | L | 96.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -53.8 | -46 | -179.3 | -88.9 | 176.3 | 0 | 0 | 0 | 114.2 | M1 A46 I54 V79 R90 Q91 L92 | M1-L88 HydrophobicContact CE-CD2 3.69Å; M1-L88 HydrophobicContact CE-CG 4.4Å; M1-L88 HydrophobicContact CG-CD2 4.41Å; M1-L88 HydrophobicContact SD-CD1 4.05Å; M1-L88 HydrophobicContact SD-CD2 3.44Å; M1-L88 WeakPolarHBondContact SD-CD2 3.5Å; M1-L88 HydrophobicContact SD-CG 3.98Å; A46-L88 HydrophobicContact CB-CD2 3.92Å; I54-L88 HydrophobicContact CD1-CD1 4.14Å; V79-L88 HydrophobicContact CG1-CB 4.02Å; V79-L88 HydrophobicContact CG1-CD1 3.95Å; V79-L88 HydrophobicContact CG2-CB 3.95Å; L88-R90 VanDerWaalsContact C-N 3.26Å; L88-R90 PolarHBondContact O-N 3.35Å; L88-Q91 PolarHBondContact O-N 3Å; L88-L92 WeakPolarHBondContact O-CG 3.36Å; L88-L92 PolarHBondContact O-N 3.29Å |
| 89 | A | 97.4 | Very high | 97.3 | Very high | 28 Ų | 28 | 68 Ų | 68 | 23% | 0.231 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.1 | -39.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L77 V79 G87 V93 F120 | L77-A89 HydrophobicContact CD1-CB 4.48Å; L77-A89 HydrophobicContact CD2-CB 4.42Å; V79-A89 HydrophobicContact CG2-CB 3.84Å; G87-A89 PolarHBondContact O-N 2.91Å; A89-V93 VanDerWaalsContact O-CG2 3.27Å; A89-V93 WeakPolarHBondContact O-CG2 3.47Å; A89-V93 PolarHBondContact O-N 2.88Å; A89-F120 HydrophobicContact CB-CZ 4.47Å |
| 90 | R | 97.2 | Very high | 97.3 | Very high | 172 Ų | 172 | 67.5 Ų | 67.5 | 65% | 0.649 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.8 | -43.4 | 177.2 | -174.9 | -178.1 | -175.4 | -177.6 | 2.4 | 111.3 | G87 L88 Y94 F120 | G87-R90 WeakPolarHBondContact O-CB 3.29Å; G87-R90 PolarHBondContact O-N 2.91Å; L88-R90 VanDerWaalsContact C-N 3.26Å; L88-R90 PolarHBondContact O-N 3.35Å; R90-Y94 VanDerWaalsContact O-CB 3.3Å; R90-Y94 WeakPolarHBondContact O-CB 3.49Å; R90-Y94 PolarHBondContact O-N 3.45Å; R90-F120 HydrophobicContact CB-CD1 4.3Å; R90-F120 HydrophobicContact CB-CE1 3.81Å; R90-F120 HydrophobicContact CG-CD1 4.1Å; R90-F120 HydrophobicContact CG-CE1 4.09Å |
| 91 | Q | 97.7 | Very high | 97.3 | Very high | 88 Ų | 88 | 70.5 Ų | 70.5 | 41% | 0.411 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.1 | -47.2 | 178.2 | -68.9 | 177.1 | -34.4 | 0 | 0 | 110.9 | I3 G87 L88 V93 Y94 E95 | I3-Q91 HydrophobicContact CD1-CB 3.48Å; I3-Q91 VanDerWaalsContact CD1-CB 3.48Å; G87-Q91 PolarHBondContact O-N 3.32Å; L88-Q91 PolarHBondContact O-N 3Å; Q91-V93 VanDerWaalsContact C-N 3.34Å; Q91-V93 PolarHBondContact O-N 2.89Å; Q91-Y94 PolarHBondContact O-N 2.75Å; Q91-E95 WeakPolarHBondContact O-CB 3.27Å; Q91-E95 VanDerWaalsContact O-CG 3.25Å; Q91-E95 WeakPolarHBondContact O-CG 3.31Å; Q91-E95 PolarHBondContact O-N 2.88Å |
| 92 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -55.7 | -46.8 | 176.4 | -77.4 | 165.4 | 0 | 0 | 0 | 112.4 | I3 L44 A46 V57 L77 V79 L88 G96 | I3-L92 HydrophobicContact CD1-CD2 4.48Å; I3-L92 HydrophobicContact CD1-CG 4.41Å; I3-L92 HydrophobicContact CG1-CD2 4.46Å; I3-L92 HydrophobicContact CG2-CD2 4.18Å; L44-L92 HydrophobicContact CB-CD2 4.05Å; A46-L92 HydrophobicContact CB-CD1 4.37Å; A46-L92 HydrophobicContact CB-CD2 4.24Å; V57-L92 HydrophobicContact CB-CB 4.38Å; V57-L92 HydrophobicContact CG1-CB 3.91Å; V57-L92 HydrophobicContact CG1-CD2 4.26Å; L77-L92 HydrophobicContact CD1-CB 4.39Å; V79-L92 HydrophobicContact CG2-CD1 4.3Å; L88-L92 WeakPolarHBondContact O-CG 3.36Å; L88-L92 PolarHBondContact O-N 3.29Å; L92-G96 PolarHBondContact O-N 2.92Å |
| 93 | V | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.7 | -45.5 | 178.2 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | M74 L77 A89 Q91 G96 L97 F120 F122 | M74-V93 HydrophobicContact CE-CG2 4.36Å; M74-V93 HydrophobicContact SD-CG1 4.18Å; M74-V93 HydrophobicContact SD-CG2 3.89Å; L77-V93 HydrophobicContact CD1-CG2 3.93Å; L77-V93 HydrophobicContact CD2-CG2 3.66Å; L77-V93 HydrophobicContact CG-CG2 4.44Å; A89-V93 VanDerWaalsContact O-CG2 3.27Å; A89-V93 WeakPolarHBondContact O-CG2 3.47Å; A89-V93 PolarHBondContact O-N 2.88Å; Q91-V93 VanDerWaalsContact C-N 3.34Å; Q91-V93 PolarHBondContact O-N 2.89Å; V93-G96 PolarHBondContact O-N 3.42Å; V93-L97 HydrophobicContact CG1-CD1 3.83Å; V93-L97 HydrophobicContact CG1-CG 4.3Å; V93-L97 VanDerWaalsContact O-CG 3.28Å; V93-L97 WeakPolarHBondContact O-CG 3.33Å; V93-L97 PolarHBondContact O-N 3.04Å; V93-F120 HydrophobicContact CB-CD2 4.27Å; V93-F120 HydrophobicContact CB-CG 4.32Å; V93-F120 HydrophobicContact CG1-CB 3.82Å; V93-F120 HydrophobicContact CG1-CD2 4.02Å; V93-F120 HydrophobicContact CG1-CG 3.99Å; V93-F120 HydrophobicContact CG2-CD2 3.97Å; V93-F120 HydrophobicContact CG2-CE2 4.05Å; V93-F122 HydrophobicContact CG1-CE2 4.06Å |
| 94 | Y | 98.1 | Very high | 97.3 | Very high | 151 Ų | 151 | 67.6 Ų | 67.6 | 59% | 0.592 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.1 | -50.2 | -179.1 | -175.1 | -91.8 | 0 | 0 | 0 | 112.3 | R90 Q91 G96 L97 D98 | R90-Y94 VanDerWaalsContact O-CB 3.3Å; R90-Y94 WeakPolarHBondContact O-CB 3.49Å; R90-Y94 PolarHBondContact O-N 3.45Å; Q91-Y94 PolarHBondContact O-N 2.75Å; Y94-G96 PolarHBondContact O-N 3.29Å; Y94-L97 PolarHBondContact O-N 2.72Å; Y94-D98 WeakPolarHBondContact O-CB 3.36Å; Y94-D98 PolarHBondContact O-N 3.35Å |
| 95 | E | 98.2 | Very high | 97.4 | Very high | 86 Ų | 86 | 63.8 Ų | 63.8 | 40% | 0.402 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.6 | -34.2 | 177.3 | -63.3 | -64.7 | 147.4 | 0 | 0 | 111.5 | I3 L44 Q91 S99 | I3-E95 HydrophobicContact CG2-CB 4.35Å; I3-E95 HydrophobicContact CG2-CG 4.31Å; L44-E95 HydrophobicContact CD1-CB 3.79Å; Q91-E95 WeakPolarHBondContact O-CB 3.27Å; Q91-E95 VanDerWaalsContact O-CG 3.25Å; Q91-E95 WeakPolarHBondContact O-CG 3.31Å; Q91-E95 PolarHBondContact O-N 2.88Å; E95-S99 VanDerWaalsContact O-CB 3.32Å; E95-S99 WeakPolarHBondContact O-CB 3.47Å; E95-S99 PolarHBondContact O-N 3.45Å; E95-S99 PolarHBondContact O-OG 2.89Å |
| 96 | G | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66 | -48 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L44 L92 V93 Y94 S99 L100 | L44-G96 VanDerWaalsContact CD1-CA 3.46Å; L44-G96 VanDerWaalsContact CD1-N 3.27Å; L92-G96 PolarHBondContact O-N 2.92Å; V93-G96 PolarHBondContact O-N 3.42Å; Y94-G96 PolarHBondContact O-N 3.29Å; G96-S99 PolarHBondContact O-N 3.16Å; G96-L100 WeakPolarHBondContact O-CB 3.36Å; G96-L100 WeakPolarHBondContact O-CD1 3.4Å; G96-L100 VanDerWaalsContact O-CG 3.22Å; G96-L100 WeakPolarHBondContact O-CG 3.29Å; G96-L100 PolarHBondContact O-N 3.45Å |
| 97 | L | 98.5 | Very high | 97.8 | Very high | 13 Ų | 13 | 54.9 Ų | 54.9 | 7% | 0.068 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.6 | -42 | 175.9 | -68.4 | 170.3 | 0 | 0 | 0 | 111.6 | V93 Y94 L100 N101 V108 F122 H144 L146 | V93-L97 HydrophobicContact CG1-CD1 3.83Å; V93-L97 HydrophobicContact CG1-CG 4.3Å; V93-L97 VanDerWaalsContact O-CG 3.28Å; V93-L97 WeakPolarHBondContact O-CG 3.33Å; V93-L97 PolarHBondContact O-N 3.04Å; Y94-L97 PolarHBondContact O-N 2.72Å; L97-L100 PolarHBondContact O-N 2.93Å; L97-N101 WeakPolarHBondContact O-CB 3.4Å; L97-N101 PolarHBondContact O-N 2.76Å; L97-V108 HydrophobicContact CD2-CB 3.79Å; L97-V108 HydrophobicContact CD2-CG1 4.27Å; L97-V108 HydrophobicContact CD2-CG2 3.48Å; L97-V108 VanDerWaalsContact CD2-CG2 3.48Å; L97-F122 HydrophobicContact CD1-CE2 4.3Å; L97-F122 HydrophobicContact CD2-CZ 4.4Å; L97-H144 HydrophobicContact CD2-CB 4.49Å; L97-L146 HydrophobicContact CB-CD2 4.04Å; L97-L146 HydrophobicContact CD2-CD2 3.83Å |
| 98 | D | 98 | Very high | 97.9 | Very high | 76 Ų | 76 | 53.1 Ų | 53.1 | 41% | 0.406 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 178.1 | -164.8 | 57 | 0 | 0 | 0 | 111.4 | Y94 L100 N101 E102 | Y94-D98 WeakPolarHBondContact O-CB 3.36Å; Y94-D98 PolarHBondContact O-N 3.35Å; D98-L100 PolarHBondContact O-N 3.11Å; D98-N101 WeakPolarHBondContact O-CB 3.18Å; D98-N101 PolarHBondContact O-N 3.35Å; D98-E102 PolarHBondContact O-N 3.21Å |
| 99 | S | 98.1 | Very high | 98 | Very high | 21 Ų | 21 | 53 Ų | 53 | 15% | 0.147 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.7 | -44 | 176 | -59.4 | 0 | 0 | 0 | 0 | 112 | E95 G96 N101 E102 F103 | E95-S99 VanDerWaalsContact O-CB 3.32Å; E95-S99 WeakPolarHBondContact O-CB 3.47Å; E95-S99 PolarHBondContact O-N 3.45Å; E95-S99 PolarHBondContact O-OG 2.89Å; G96-S99 PolarHBondContact O-N 3.16Å; S99-N101 VanDerWaalsContact C-N 3.34Å; S99-N101 PolarHBondContact O-N 2.79Å; S99-E102 PolarHBondContact O-N 3.2Å; S99-F103 VanDerWaalsContact O-CD2 3.26Å; S99-F103 WeakPolarHBondContact O-CD2 3.25Å; S99-F103 WeakPolarHBondContact O-CG 3.39Å; S99-F103 PolarHBondContact O-N 2.83Å |
| 100 | L | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65 | -38.5 | 178.1 | -73.5 | 165.9 | 0 | 0 | 0 | 112 | L42 F59 V72 G96 L97 D98 F103 G104 Y105 V108 L146 | L42-L100 HydrophobicContact CB-CD2 4.38Å; L42-L100 HydrophobicContact CD2-CD2 4.06Å; L42-L100 HydrophobicContact CD2-CG 3.88Å; F59-L100 HydrophobicContact CB-CD1 4.36Å; F59-L100 HydrophobicContact CD1-CD1 3.49Å; F59-L100 VanDerWaalsContact CD1-CD1 3.49Å; F59-L100 HydrophobicContact CD2-CD1 4.12Å; F59-L100 HydrophobicContact CE1-CD1 3.64Å; F59-L100 HydrophobicContact CE2-CD1 4.27Å; F59-L100 HydrophobicContact CG-CD1 3.74Å; F59-L100 HydrophobicContact CZ-CD1 4.04Å; V72-L100 HydrophobicContact CG2-CD1 3.64Å; V72-L100 HydrophobicContact CG2-CD2 4Å; V72-L100 HydrophobicContact CG2-CG 4.44Å; G96-L100 WeakPolarHBondContact O-CB 3.36Å; G96-L100 WeakPolarHBondContact O-CD1 3.4Å; G96-L100 VanDerWaalsContact O-CG 3.22Å; G96-L100 WeakPolarHBondContact O-CG 3.29Å; G96-L100 PolarHBondContact O-N 3.45Å; L97-L100 PolarHBondContact O-N 2.93Å; D98-L100 PolarHBondContact O-N 3.11Å; L100-F103 CarbonylContact O-C 3.52Å; L100-F103 PolarHBondContact O-N 2.71Å; L100-G104 PolarHBondContact O-N 2.96Å; L100-G104 VanDerWaalsContact O-N 3.16Å; L100-Y105 HydrophobicContact CB-CD2 4.25Å; L100-Y105 HydrophobicContact CD2-CD2 3.5Å; L100-Y105 HydrophobicContact CD2-CE2 3.88Å; L100-Y105 HydrophobicContact CD2-CG 3.98Å; L100-Y105 HydrophobicContact CG-CD2 4.49Å; L100-Y105 WeakPolarHBondContact O-CB 3.27Å; L100-Y105 PolarHBondContact O-N 3.48Å; L100-V108 HydrophobicContact CD1-CG2 3.74Å; L100-L146 HydrophobicContact CB-CD1 3.73Å |
| 101 | N | 97.6 | Very high | 98.1 | Very high | 77 Ų | 77 | 46.6 Ų | 46.6 | 41% | 0.412 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64 | -42.4 | 174 | -177.4 | 50.2 | 0 | 0 | 0 | 111.2 | L97 D98 S99 F103 G104 L146 | L97-N101 WeakPolarHBondContact O-CB 3.4Å; L97-N101 PolarHBondContact O-N 2.76Å; D98-N101 WeakPolarHBondContact O-CB 3.18Å; D98-N101 PolarHBondContact O-N 3.35Å; S99-N101 VanDerWaalsContact C-N 3.34Å; S99-N101 PolarHBondContact O-N 2.79Å; N101-F103 VanDerWaalsContact C-N 3.27Å; N101-F103 PolarHBondContact O-N 2.89Å; N101-G104 PolarHBondContact O-N 3.08Å; N101-L146 HydrophobicContact CB-CB 4.26Å; N101-L146 HydrophobicContact CB-CD1 4.46Å; N101-L146 HydrophobicContact CB-CD2 4.37Å; N101-L146 PolarHBondContact OD1-O 2.82Å |
| 102 | E | 97.4 | Very high | 98.1 | Very high | 156 Ų | 156 | 43.5 Ų | 43.5 | 73% | 0.729 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -61.6 | -35.5 | 174.3 | -171.4 | 177.2 | -177.3 | 0 | 0 | 112.2 | D98 S99 G104 | D98-E102 PolarHBondContact O-N 3.21Å; S99-E102 PolarHBondContact O-N 3.2Å; E102-G104 PolarHBondContact O-N 2.79Å |
| 103 | F | 96.6 | Very high | 98 | Very high | 120 Ų | 120 | 48.3 Ų | 48.3 | 53% | 0.526 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -3.5 | 175.4 | -58.2 | -24 | 0 | 0 | 0 | 114.1 | L42 S99 L100 N101 Y105 | L42-F103 HydrophobicContact CD1-CE2 4.34Å; L42-F103 HydrophobicContact CD2-CE2 4.48Å; S99-F103 VanDerWaalsContact O-CD2 3.26Å; S99-F103 WeakPolarHBondContact O-CD2 3.25Å; S99-F103 WeakPolarHBondContact O-CG 3.39Å; S99-F103 PolarHBondContact O-N 2.83Å; L100-F103 CarbonylContact O-C 3.52Å; L100-F103 PolarHBondContact O-N 2.71Å; N101-F103 VanDerWaalsContact C-N 3.27Å; N101-F103 PolarHBondContact O-N 2.89Å; F103-Y105 HydrophobicContact CB-CD2 3.94Å; F103-Y105 HydrophobicContact CB-CE2 4.01Å |
| 104 | G | 96.9 | Very high | 97.9 | Very high | 51 Ų | 51 | 50.2 Ų | 50.2 | 53% | 0.526 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | 17 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L100 N101 E102 | L100-G104 PolarHBondContact O-N 2.96Å; L100-G104 VanDerWaalsContact O-N 3.16Å; N101-G104 PolarHBondContact O-N 3.08Å; E102-G104 PolarHBondContact O-N 2.79Å |
| 105 | Y | 98.3 | Very high | 97.8 | Very high | 51 Ų | 51 | 45.5 Ų | 45.5 | 20% | 0.2 | 26% | 0.258 | C | S | . | . | trans | -70.3 | 145.8 | 169.6 | -71.2 | -85.6 | 0 | 0 | 0 | 110.7 | T41 Q70 V72 L100 F103 L146 | T41-Y105 HydrophobicContact CG2-CE1 4.21Å; T41-Y105 HydrophobicContact CG2-CE2 3.92Å; T41-Y105 VanDerWaalsContact CG2-CZ 3.49Å; T41-Y105 WeakPolarHBondContact CG2-OH 3.28Å; Q70-Y105 HydrophobicContact CB-CD1 4.28Å; Q70-Y105 CarbonylContact O-C 3.58Å; Q70-Y105 WeakPolarHBondContact O-CA 3.33Å; Q70-Y105 WeakPolarHBondContact O-CD1 3.44Å; V72-Y105 HydrophobicContact CG1-CD1 3.64Å; V72-Y105 HydrophobicContact CG1-CE1 3.57Å; V72-Y105 HydrophobicContact CG1-CG 4.41Å; L100-Y105 HydrophobicContact CB-CD2 4.25Å; L100-Y105 HydrophobicContact CD2-CD2 3.5Å; L100-Y105 HydrophobicContact CD2-CE2 3.88Å; L100-Y105 HydrophobicContact CD2-CG 3.98Å; L100-Y105 HydrophobicContact CG-CD2 4.49Å; L100-Y105 WeakPolarHBondContact O-CB 3.27Å; L100-Y105 PolarHBondContact O-N 3.48Å; F103-Y105 HydrophobicContact CB-CD2 3.94Å; F103-Y105 HydrophobicContact CB-CE2 4.01Å; Y105-L146 WeakPolarHBondContact O-CB 3.44Å; Y105-L146 WeakPolarHBondContact O-CD1 3.43Å | ||
| 106 | A | 97.9 | Very high | 97.7 | Very high | 23 Ų | 23 | 44.6 Ų | 44.6 | 19% | 0.19 | 26% | 0.256 | C | S | . | . | trans | -94.3 | -34.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q70 L146 A147 A150 | Q70-A106 PolarHBondContact O-N 2.55Å; A106-L146 WeakPolarHBondContact O-CB 3.5Å; A106-L146 PolarHBondContact O-N 3.2Å; A106-A147 PolarHBondContact O-N 3.04Å; A106-A150 HydrophobicContact CB-CB 4.02Å; A106-A150 WeakPolarHBondContact O-CB 3.37Å | ||
| 107 | A | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 161.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | W71 V72 V143 H144 L151 | W71-A107 WeakPolarHBondContact CA-O 3.37Å; W71-A107 HydrophobicContact CD2-CB 3.67Å; W71-A107 VanDerWaalsContact CE2-CB 3.49Å; W71-A107 HydrophobicContact CE3-CB 4.15Å; W71-A107 HydrophobicContact CG-CB 4.03Å; W71-A107 HydrophobicContact CH2-CB 4.34Å; W71-A107 HydrophobicContact CZ2-CB 3.87Å; W71-A107 HydrophobicContact CZ3-CB 4.46Å; V72-A107 PolarHBondContact N-O 3.4Å; V72-A107 VanDerWaalsContact N-O 3.14Å; A107-V143 HydrophobicContact CB-CG2 4.35Å; A107-H144 WeakPolarHBondContact CA-O 3.37Å; A107-H144 WeakPolarHBondContact CB-O 3.41Å; A107-L151 HydrophobicContact CB-CD2 4Å |
| 108 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 130.3 | 175.6 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | F59 V72 M74 L97 L100 F122 V143 H144 L146 | F59-V108 HydrophobicContact CD1-CG1 4.1Å; F59-V108 HydrophobicContact CE1-CG1 4Å; V72-V108 HydrophobicContact CG2-CB 4.46Å; V72-V108 HydrophobicContact CG2-CG1 4.39Å; V72-V108 HydrophobicContact CG2-CG2 3.77Å; V72-V108 CarbonylContact O-C 3.6Å; V72-V108 VanDerWaalsContact O-CA 3.27Å; V72-V108 WeakPolarHBondContact O-CA 3.32Å; M74-V108 HydrophobicContact CB-CG1 3.71Å; L97-V108 HydrophobicContact CD2-CB 3.79Å; L97-V108 HydrophobicContact CD2-CG1 4.27Å; L97-V108 HydrophobicContact CD2-CG2 3.48Å; L97-V108 VanDerWaalsContact CD2-CG2 3.48Å; L100-V108 HydrophobicContact CD1-CG2 3.74Å; V108-F122 HydrophobicContact CB-CE1 4.43Å; V108-F122 HydrophobicContact CB-CZ 4.46Å; V108-F122 HydrophobicContact CG1-CE1 4.14Å; V108-F122 HydrophobicContact CG1-CZ 4.07Å; V108-V143 CarbonylContact O-C 3.52Å; V108-V143 WeakPolarHBondContact O-CA 3.47Å; V108-H144 PolarHBondContact N-O 3.16Å; V108-H144 PolarHBondContact O-N 3.35Å; V108-L146 HydrophobicContact CG2-CD1 3.99Å; V108-L146 HydrophobicContact CG2-CD2 4.45Å; V108-L146 HydrophobicContact CG2-CG 4.33Å |
| 109 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 152 | 171.5 | -67.8 | 0 | 0 | 0 | 0 | 111.2 | V62 W71 V72 G73 M74 F141 Q142 V143 V158 Y160 | V62-V109 HydrophobicContact CG1-CG2 4.09Å; V62-V109 HydrophobicContact CG2-CG2 3.9Å; W71-V109 HydrophobicContact CE3-CG1 3.9Å; W71-V109 HydrophobicContact CZ3-CG1 3.9Å; V72-V109 PolarHBondContact O-N 3.26Å; G73-V109 CarbonylContact C-O 3.52Å; G73-V109 WeakPolarHBondContact CA-O 3.31Å; M74-V109 PolarHBondContact N-O 2.94Å; V109-F141 HydrophobicContact CB-CE2 3.77Å; V109-F141 HydrophobicContact CB-CZ 3.72Å; V109-F141 HydrophobicContact CG1-CE2 4.38Å; V109-F141 HydrophobicContact CG1-CZ 3.85Å; V109-F141 HydrophobicContact CG2-CE2 4.17Å; V109-F141 HydrophobicContact CG2-CZ 4.12Å; V109-Q142 CarbonylContact C-O 3.3Å; V109-Q142 VanDerWaalsContact CA-O 3.25Å; V109-Q142 WeakPolarHBondContact CA-O 3.18Å; V109-V143 HydrophobicContact CG1-CB 4.04Å; V109-V143 HydrophobicContact CG1-CG2 3.86Å; V109-V158 HydrophobicContact CG1-CG1 4.49Å; V109-V158 HydrophobicContact CG2-CG1 4Å; V109-Y160 HydrophobicContact CG2-CE2 4.01Å; V109-Y160 WeakPolarHBondContact CG2-OH 3.21Å; V109-Y160 PolarHBondContact O-OH 3.41Å |
| 110 | T | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 164.7 | 174.9 | -163.2 | 0 | 0 | 0 | 0 | 111 | M74 Y117 F122 F141 Q142 | M74-T110 HydrophobicContact CE-CG2 4.1Å; M74-T110 PolarHBondContact O-OG1 3.43Å; T110-Y117 HydrophobicContact CG2-CD1 3.83Å; T110-Y117 HydrophobicContact CG2-CD2 4.06Å; T110-Y117 HydrophobicContact CG2-CE1 4.14Å; T110-Y117 HydrophobicContact CG2-CE2 4.31Å; T110-Y117 HydrophobicContact CG2-CG 3.8Å; T110-F122 HydrophobicContact CG2-CD1 3.6Å; T110-F122 HydrophobicContact CG2-CE1 3.63Å; T110-F122 HydrophobicContact CG2-CG 4.25Å; T110-F122 HydrophobicContact CG2-CZ 4.29Å; T110-F141 WeakPolarHBondContact O-CD2 3.22Å; T110-Q142 HydrophobicContact CG2-CB 4.19Å; T110-Q142 PolarHBondContact N-O 3.24Å; T110-Q142 PolarHBondContact O-N 3.04Å |
| 111 | L | 98.2 | Very high | 97.4 | Very high | 64 Ų | 64 | 55.7 Ų | 55.7 | 34% | 0.335 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 121.9 | 178.2 | -173.2 | 69.8 | 0 | 0 | 0 | 110 | W134 T137 A140 F141 | L111-W134 HydrophobicContact CD2-CE3 3.86Å; L111-W134 HydrophobicContact CD2-CZ3 4.09Å; L111-T137 HydrophobicContact CD1-CG2 3.74Å; L111-T137 HydrophobicContact CD2-CG2 4.1Å; L111-A140 HydrophobicContact CD1-CB 3.9Å; L111-F141 HydrophobicContact CD1-CB 3.91Å; L111-F141 HydrophobicContact CD1-CD2 4.26Å |
| 112 | G | 96.8 | Very high | 97.4 | Very high | 23 Ų | 23 | 52.4 Ų | 52.4 | 24% | 0.237 | 29% | 0.294 | C | S | . | . | S | Bend | trans | 158.3 | -157.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P114 A140 Q142 | G112-P114 VanDerWaalsContact O-CD 3.25Å; G112-P114 WeakPolarHBondContact O-CD 3.49Å; G112-A140 PolarHBondContact N-O 2.9Å; G112-A140 VanDerWaalsContact N-O 3.11Å; G112-A140 WeakPolarHBondContact O-CA 3.42Å; G112-A140 WeakPolarHBondContact O-CB 3.45Å; G112-A140 VanDerWaalsContact O-O 3.1Å; G112-Q142 PolarHBondContact O-NE2 2.93Å; G112-Q142 VanDerWaalsContact O-NE2 3.09Å |
| 113 | D | 96.9 | Very high | 97.4 | Very high | 101 Ų | 101 | 49 Ų | 49 | 54% | 0.54 | 28% | 0.278 | S | S | . | . | trans | -64.1 | 116.6 | -170.9 | -173.2 | -6.7 | 0 | 0 | 0 | 112.3 | A115 L116 Y117 | D113-A115 PolarHBondContact O-N 2.82Å; D113-A115 VanDerWaalsContact OD1-CB 3.25Å; D113-A115 WeakPolarHBondContact OD1-CB 3.35Å; D113-A115 PolarHBondContact OD1-N 2.87Å; D113-L116 HydrophobicContact CB-CB 4.42Å; D113-L116 WeakPolarHBondContact O-CB 3.47Å; D113-L116 PolarHBondContact O-N 3.36Å; D113-Y117 WeakPolarHBondContact O-CD2 3.48Å; D113-Y117 PolarHBondContact O-N 2.76Å; D113-Y117 VanDerWaalsContact O-N 3.13Å | ||
| 114 | P | 97 | Very high | 97.5 | Very high | 41 Ų | 41 | 45.6 Ų | 45.6 | 27% | 0.266 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.5 | -27.9 | 175.1 | -20.8 | 31.8 | 0 | 0 | 0 | 113.6 | G112 L116 S118 L124 S139 | G112-P114 VanDerWaalsContact O-CD 3.25Å; G112-P114 WeakPolarHBondContact O-CD 3.49Å; P114-L116 PolarHBondContact O-N 2.84Å; P114-S118 WeakPolarHBondContact O-CB 3.28Å; P114-S118 PolarHBondContact O-N 2.88Å; P114-S118 PolarHBondContact O-OG 2.77Å; P114-L124 HydrophobicContact CG-CD2 4.15Å; P114-S139 WeakPolarHBondContact CG-O 3.37Å |
| 115 | A | 96.2 | Very high | 97.6 | Very high | 52 Ų | 52 | 43.1 Ų | 43.1 | 43% | 0.43 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.2 | -22.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D113 R119 | D113-A115 PolarHBondContact O-N 2.82Å; D113-A115 VanDerWaalsContact OD1-CB 3.25Å; D113-A115 WeakPolarHBondContact OD1-CB 3.35Å; D113-A115 PolarHBondContact OD1-N 2.87Å; A115-R119 PolarHBondContact O-NE 2.72Å; A115-R119 PolarHBondContact O-NH2 3.36Å |
| 116 | L | 95.8 | Very high | 97.6 | Very high | 67 Ų | 67 | 43 Ų | 43 | 35% | 0.351 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -86.5 | -59.9 | 171 | 176.6 | 62.1 | 0 | 0 | 0 | 111.2 | D113 P114 S118 R119 F120 | D113-L116 HydrophobicContact CB-CB 4.42Å; D113-L116 WeakPolarHBondContact O-CB 3.47Å; D113-L116 PolarHBondContact O-N 3.36Å; P114-L116 PolarHBondContact O-N 2.84Å; L116-S118 PolarHBondContact O-N 2.94Å; L116-R119 VanDerWaalsContact O-CB 3.28Å; L116-R119 WeakPolarHBondContact O-CB 3.46Å; L116-R119 WeakPolarHBondContact O-CG 3.46Å; L116-R119 PolarHBondContact O-N 3.42Å; L116-F120 HydrophobicContact CD1-CE2 3.98Å; L116-F120 HydrophobicContact CD1-CZ 3.8Å; L116-F120 HydrophobicContact CG-CE2 4.03Å; L116-F120 HydrophobicContact CG-CZ 4.37Å |
| 117 | Y | 98 | Very high | 97.5 | Very high | 25 Ų | 25 | 48.6 Ų | 48.6 | 10% | 0.098 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -73.8 | -27.6 | -167 | -66 | -69.5 | 0 | 0 | 0 | 114.1 | M74 L77 T110 D113 R119 F120 F122 | M74-Y117 HydrophobicContact CE-CD1 3.69Å; M74-Y117 HydrophobicContact CE-CE1 3.35Å; L77-Y117 HydrophobicContact CD2-CE1 4.06Å; T110-Y117 HydrophobicContact CG2-CD1 3.83Å; T110-Y117 HydrophobicContact CG2-CD2 4.06Å; T110-Y117 HydrophobicContact CG2-CE1 4.14Å; T110-Y117 HydrophobicContact CG2-CE2 4.31Å; T110-Y117 HydrophobicContact CG2-CG 3.8Å; D113-Y117 WeakPolarHBondContact O-CD2 3.48Å; D113-Y117 PolarHBondContact O-N 2.76Å; D113-Y117 VanDerWaalsContact O-N 3.13Å; Y117-R119 PolarHBondContact O-N 2.92Å; Y117-R119 VanDerWaalsContact O-N 3.15Å; Y117-F120 AromaticContact CD1-CD2 3.95Å; Y117-F120 HydrophobicContact CD1-CD2 3.95Å; Y117-F120 HydrophobicContact CD1-CE2 4.16Å; Y117-F120 WeakPolarHBondContact O-CA 3.45Å; Y117-F120 WeakPolarHBondContact O-CB 3.44Å; Y117-F120 PolarHBondContact O-N 3.19Å; Y117-F122 PolarHBondContact O-N 3.46Å |
| 118 | S | 97 | Very high | 97.5 | Very high | 66 Ų | 66 | 50.5 Ų | 50.5 | 46% | 0.462 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -59.8 | -25.7 | 172.3 | 61.2 | 0 | 0 | 0 | 0 | 113 | P114 L116 F120 G121 | P114-S118 WeakPolarHBondContact O-CB 3.28Å; P114-S118 PolarHBondContact O-N 2.88Å; P114-S118 PolarHBondContact O-OG 2.77Å; L116-S118 PolarHBondContact O-N 2.94Å; S118-F120 PolarHBondContact O-N 2.94Å; S118-G121 PolarHBondContact O-N 2.98Å; S118-G121 VanDerWaalsContact O-N 3.16Å |
| 119 | R | 95.8 | Very high | 97.4 | Very high | 179 Ų | 179 | 56.3 Ų | 56.3 | 68% | 0.675 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -68.5 | -17.2 | 174.6 | -54 | 179.1 | -171.3 | -173.6 | 2 | 112.9 | A115 L116 Y117 | A115-R119 PolarHBondContact O-NE 2.72Å; A115-R119 PolarHBondContact O-NH2 3.36Å; L116-R119 VanDerWaalsContact O-CB 3.28Å; L116-R119 WeakPolarHBondContact O-CB 3.46Å; L116-R119 WeakPolarHBondContact O-CG 3.46Å; L116-R119 PolarHBondContact O-N 3.42Å; Y117-R119 PolarHBondContact O-N 2.92Å; Y117-R119 VanDerWaalsContact O-N 3.15Å |
| 120 | F | 96.6 | Very high | 97.4 | Very high | 32 Ų | 32 | 56.5 Ų | 56.5 | 14% | 0.14 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -102.7 | 7.7 | 177.1 | -45.6 | -40.9 | 0 | 0 | 0 | 112.3 | L77 A89 R90 V93 L116 Y117 S118 F122 H144 | L77-F120 HydrophobicContact CD2-CE2 4.09Å; A89-F120 HydrophobicContact CB-CZ 4.47Å; R90-F120 HydrophobicContact CB-CD1 4.3Å; R90-F120 HydrophobicContact CB-CE1 3.81Å; R90-F120 HydrophobicContact CG-CD1 4.1Å; R90-F120 HydrophobicContact CG-CE1 4.09Å; V93-F120 HydrophobicContact CB-CD2 4.27Å; V93-F120 HydrophobicContact CB-CG 4.32Å; V93-F120 HydrophobicContact CG1-CB 3.82Å; V93-F120 HydrophobicContact CG1-CD2 4.02Å; V93-F120 HydrophobicContact CG1-CG 3.99Å; V93-F120 HydrophobicContact CG2-CD2 3.97Å; V93-F120 HydrophobicContact CG2-CE2 4.05Å; L116-F120 HydrophobicContact CD1-CE2 3.98Å; L116-F120 HydrophobicContact CD1-CZ 3.8Å; L116-F120 HydrophobicContact CG-CE2 4.03Å; L116-F120 HydrophobicContact CG-CZ 4.37Å; Y117-F120 AromaticContact CD1-CD2 3.95Å; Y117-F120 HydrophobicContact CD1-CD2 3.95Å; Y117-F120 HydrophobicContact CD1-CE2 4.16Å; Y117-F120 WeakPolarHBondContact O-CA 3.45Å; Y117-F120 WeakPolarHBondContact O-CB 3.44Å; Y117-F120 PolarHBondContact O-N 3.19Å; S118-F120 PolarHBondContact O-N 2.94Å; F120-F122 HydrophobicContact CB-CD2 4Å; F120-F122 HydrophobicContact CB-CE2 4.2Å; F120-H144 PolarHBondContact O-CD2 3.02Å; F120-H144 VanDerWaalsContact O-CD2 3.3Å; F120-H144 PolarHBondContact O-NE2 3.41Å |
| 121 | G | 96.9 | Very high | 97.4 | Very high | 41 Ų | 41 | 62.9 Ų | 62.9 | 42% | 0.423 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | 6.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | S118 H144 | S118-G121 PolarHBondContact O-N 2.98Å; S118-G121 VanDerWaalsContact O-N 3.16Å; G121-H144 PolarHBondContact O-CD2 3.11Å |
| 122 | F | 98.4 | Very high | 97.4 | Very high | 7 Ų | 7 | 60.1 Ų | 60.1 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | trans | -73.3 | 141.7 | 175.7 | -75.3 | -102.7 | 0 | 0 | 0 | 111.5 | M74 V93 L97 V108 T110 Y117 F120 Q142 H144 | M74-F122 HydrophobicContact CE-CE2 4.17Å; M74-F122 HydrophobicContact CE-CZ 3.84Å; M74-F122 HydrophobicContact SD-CZ 4.31Å; V93-F122 HydrophobicContact CG1-CE2 4.06Å; L97-F122 HydrophobicContact CD1-CE2 4.3Å; L97-F122 HydrophobicContact CD2-CZ 4.4Å; V108-F122 HydrophobicContact CB-CE1 4.43Å; V108-F122 HydrophobicContact CB-CZ 4.46Å; V108-F122 HydrophobicContact CG1-CE1 4.14Å; V108-F122 HydrophobicContact CG1-CZ 4.07Å; T110-F122 HydrophobicContact CG2-CD1 3.6Å; T110-F122 HydrophobicContact CG2-CE1 3.63Å; T110-F122 HydrophobicContact CG2-CG 4.25Å; T110-F122 HydrophobicContact CG2-CZ 4.29Å; Y117-F122 PolarHBondContact O-N 3.46Å; F120-F122 HydrophobicContact CB-CD2 4Å; F120-F122 HydrophobicContact CB-CE2 4.2Å; F122-Q142 HydrophobicContact CB-CB 4.04Å; F122-Q142 HydrophobicContact CD1-CB 4.24Å; F122-H144 HydrophobicContact CD1-CB 3.72Å; F122-H144 HydrophobicContact CD2-CB 4.11Å; F122-H144 HydrophobicContact CE1-CB 3.68Å; F122-H144 HydrophobicContact CE2-CB 4.08Å; F122-H144 HydrophobicContact CG-CB 3.94Å; F122-H144 HydrophobicContact CZ-CB 3.87Å | ||
| 123 | E | 98 | Very high | 97.4 | Very high | 86 Ų | 86 | 65.3 Ų | 65.3 | 40% | 0.402 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 153 | 177.2 | -62.9 | 176.2 | -176.3 | 0 | 0 | 110 | A125 H128 Q142 V143 R145 | E123-A125 PolarHBondContact O-N 3.02Å; E123-H128 IonicContact OE2-CD2 2.7Å; E123-H128 IonicContact OE2-CE1 3.27Å; E123-H128 PolarHBondContact OE2-CE1 3.08Å; E123-H128 IonicContact OE2-NE2 3.42Å; E123-H128 PolarHBondContact OE2-NE2 2.76Å; E123-Q142 CarbonylContact O-C 3.44Å; E123-Q142 WeakPolarHBondContact O-CA 3.43Å; E123-Q142 VanDerWaalsContact O-CB 3.31Å; E123-Q142 WeakPolarHBondContact O-CB 3.27Å; E123-V143 PolarHBondContact N-O 2.97Å; E123-V143 PolarHBondContact O-N 2.67Å; E123-R145 IonicContact OE2-NH2 3.92Å |
| 124 | L | 98.4 | Very high | 97.5 | Very high | 47 Ų | 47 | 63.6 Ų | 63.6 | 25% | 0.246 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 124.6 | 173.8 | -73.6 | 174.5 | 0 | 0 | 0 | 110.2 | P114 A126 H127 Q142 | P114-L124 HydrophobicContact CG-CD2 4.15Å; L124-A126 PolarHBondContact O-N 3.26Å; L124-H127 WeakPolarHBondContact O-CB 3.38Å; L124-H127 PolarHBondContact O-N 3.47Å; L124-Q142 HydrophobicContact CD2-CG 4.01Å |
| 125 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -62.6 | -30.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E123 H127 H128 D129 L130 F141 V143 | E123-A125 PolarHBondContact O-N 3.02Å; A125-H127 PolarHBondContact O-N 2.92Å; A125-H128 CarbonylContact O-C 3.42Å; A125-H128 WeakPolarHBondContact O-CA 3.2Å; A125-H128 PolarHBondContact O-N 3.2Å; A125-D129 PolarHBondContact O-N 3.17Å; A125-L130 CarbonylContact C-O 3.57Å; A125-L130 VanDerWaalsContact C-O 3.3Å; A125-L130 HydrophobicContact CB-CB 3.91Å; A125-L130 PolarHBondContact O-N 3.32Å; A125-F141 HydrophobicContact CB-CB 4.39Å; A125-F141 HydrophobicContact CB-CD1 3.31Å; A125-F141 HydrophobicContact CB-CE1 3.75Å; A125-F141 HydrophobicContact CB-CG 4.03Å; A125-F141 WeakPolarHBondContact CB-O 3.24Å; A125-F141 PolarHBondContact N-O 3.14Å; A125-V143 HydrophobicContact CB-CG1 4.45Å |
| 126 | A | 97.7 | Very high | 97.4 | Very high | 47 Ų | 47 | 68.6 Ų | 68.6 | 39% | 0.388 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -60.5 | -25.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L124 H128 D129 L130 | L124-A126 PolarHBondContact O-N 3.26Å; A126-H128 PolarHBondContact O-N 3.07Å; A126-D129 PolarHBondContact O-N 3.4Å; A126-L130 PolarHBondContact N-O 3.18Å |
| 127 | H | 97.1 | Very high | 97.4 | Very high | 141 Ų | 141 | 66.2 Ų | 66.2 | 65% | 0.653 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -71.9 | -14 | 174.2 | -62.7 | 168.1 | 0 | 0 | 0 | 113.2 | L124 A125 | L124-H127 WeakPolarHBondContact O-CB 3.38Å; L124-H127 PolarHBondContact O-N 3.47Å; A125-H127 PolarHBondContact O-N 2.92Å |
| 128 | H | 97.4 | Very high | 97.4 | Very high | 40 Ų | 40 | 72.3 Ų | 72.3 | 19% | 0.185 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -113.9 | 19.1 | 178.8 | -60.4 | -81.5 | 0 | 0 | 0 | 111.7 | E123 A125 A126 L130 | E123-H128 IonicContact OE2-CD2 2.7Å; E123-H128 IonicContact OE2-CE1 3.27Å; E123-H128 PolarHBondContact OE2-CE1 3.08Å; E123-H128 IonicContact OE2-NE2 3.42Å; E123-H128 PolarHBondContact OE2-NE2 2.76Å; A125-H128 CarbonylContact O-C 3.42Å; A125-H128 WeakPolarHBondContact O-CA 3.2Å; A125-H128 PolarHBondContact O-N 3.2Å; A126-H128 PolarHBondContact O-N 3.07Å; H128-L130 HydrophobicContact CB-CD1 3.92Å; H128-L130 HydrophobicContact CB-CG 4.39Å; H128-L130 PolarHBondContact O-N 3.2Å; H128-L130 VanDerWaalsContact O-N 3.15Å |
| 129 | D | 97.9 | Very high | 97.4 | Very high | 122 Ų | 122 | 73 Ų | 73 | 65% | 0.652 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 30 | -175.8 | -64.5 | -38.8 | 0 | 0 | 0 | 114 | A125 A126 T155 G156 | A125-D129 PolarHBondContact O-N 3.17Å; A126-D129 PolarHBondContact O-N 3.4Å; D129-T155 HydrophobicContact CB-CG2 3.83Å; D129-G156 PolarHBondContact O-N 3.24Å |
| 130 | L | 98.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 65.5 Ų | 65.5 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 140.2 | 176.8 | -68.7 | 159.5 | 0 | 0 | 0 | 110.9 | V64 W71 A125 A126 H128 V143 V154 G156 V158 | V64-L130 HydrophobicContact CG1-CD2 3.99Å; W71-L130 HydrophobicContact CH2-CD1 3.6Å; W71-L130 HydrophobicContact CH2-CD2 4.25Å; W71-L130 HydrophobicContact CZ3-CD1 3.83Å; W71-L130 HydrophobicContact CZ3-CD2 4.24Å; A125-L130 CarbonylContact C-O 3.57Å; A125-L130 VanDerWaalsContact C-O 3.3Å; A125-L130 HydrophobicContact CB-CB 3.91Å; A125-L130 PolarHBondContact O-N 3.32Å; A126-L130 PolarHBondContact N-O 3.18Å; H128-L130 HydrophobicContact CB-CD1 3.92Å; H128-L130 HydrophobicContact CB-CG 4.39Å; H128-L130 PolarHBondContact O-N 3.2Å; H128-L130 VanDerWaalsContact O-N 3.15Å; L130-V143 HydrophobicContact CD1-CG1 4.47Å; L130-V154 HydrophobicContact CD2-CG1 4.46Å; L130-G156 WeakPolarHBondContact CA-O 3.39Å; L130-V158 HydrophobicContact CB-CG2 4.4Å; L130-V158 HydrophobicContact CD2-CG2 3.78Å |
| 131 | R | 98.6 | Very high | 97.6 | Very high | 136 Ų | 136 | 64 Ų | 64 | 51% | 0.513 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 153.8 | 178.7 | 60.2 | -178.3 | 178.3 | 79.2 | 5.1 | 110.8 | G156 L157 V158 | R131-G156 PolarHBondContact N-O 2.95Å; R131-L157 CarbonylContact O-C 3.53Å; R131-L157 WeakPolarHBondContact O-CA 3.47Å; R131-V158 PolarHBondContact O-N 2.88Å |
| 132 | C | 98.1 | Very high | 97.7 | Very high | 5 Ų | 5 | 62.2 Ų | 62.2 | 3% | 0.034 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 176.6 | 166.5 | 68.2 | 0 | 0 | 0 | 0 | 110.7 | W134 T137 F141 | C132-W134 VanDerWaalsContact C-N 3.32Å; C132-W134 HydrophobicContact CB-CE3 4.1Å; C132-W134 HydrophobicContact CB-CZ3 4.29Å; C132-W134 PolarHBondContact O-N 2.96Å; C132-W134 VanDerWaalsContact SG-CE3 3.57Å; C132-T137 PolarHBondContact SG-OG1 3Å; C132-F141 HydrophobicContact CB-CD1 4.25Å; C132-F141 HydrophobicContact CB-CD2 4.05Å; C132-F141 HydrophobicContact CB-CE1 4.19Å; C132-F141 HydrophobicContact CB-CE2 4Å; C132-F141 HydrophobicContact CB-CG 4.2Å; C132-F141 HydrophobicContact CB-CZ 4.07Å |
| 133 | R | 97.6 | Very high | 97.7 | Very high | 132 Ų | 132 | 61.9 Ų | 61.9 | 50% | 0.498 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -73.7 | -19.9 | -175.2 | 68.1 | -176.5 | -69 | 163.2 | -4.5 | 114.7 | L157 N165 | R133-L157 HydrophobicContact CB-CD1 4.18Å; R133-N165 WeakPolarHBondContact CD-OD1 3.4Å; R133-N165 PolarHBondContact NE-OD1 3.06Å; R133-N165 PolarHBondContact NH1-ND2 2.8Å; R133-N165 VanDerWaalsContact NH1-ND2 3.19Å |
| 134 | W | 97.5 | Very high | 97.7 | Very high | 65 Ų | 65 | 60 Ų | 60 | 25% | 0.246 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -85.9 | 139.5 | -172.2 | -53.6 | -67.5 | 0 | 0 | 0 | 111.3 | L111 C132 T137 Y160 F164 | L111-W134 HydrophobicContact CD2-CE3 3.86Å; L111-W134 HydrophobicContact CD2-CZ3 4.09Å; C132-W134 VanDerWaalsContact C-N 3.32Å; C132-W134 HydrophobicContact CB-CE3 4.1Å; C132-W134 HydrophobicContact CB-CZ3 4.29Å; C132-W134 PolarHBondContact O-N 2.96Å; C132-W134 VanDerWaalsContact SG-CE3 3.57Å; W134-T137 HydrophobicContact CB-CG2 3.83Å; W134-T137 WeakPolarHBondContact O-CG2 3.17Å; W134-T137 PolarHBondContact O-OG1 2.77Å; W134-Y160 HydrophobicContact CH2-CD2 4.05Å; W134-Y160 HydrophobicContact CH2-CG 4.07Å; W134-Y160 HydrophobicContact CZ3-CD2 4.18Å; W134-Y160 HydrophobicContact CZ3-CE2 4.39Å; W134-F164 HydrophobicContact CH2-CB 3.84Å; W134-F164 HydrophobicContact CH2-CD1 4.3Å; W134-F164 HydrophobicContact CH2-CG 4.39Å; W134-F164 HydrophobicContact CZ2-CB 3.69Å |
| 135 | P | 95.5 | Very high | 97.7 | Very high | 124 Ų | 124 | 61.2 Ų | 61.2 | 81% | 0.805 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | 153.3 | 179.8 | 30.5 | -35.7 | 0 | 0 | 0 | 111.7 | T137 | P135-T137 VanDerWaalsContact C-N 3.27Å; P135-T137 PolarHBondContact O-N 2.82Å |
| 136 | G | 95.5 | Very high | 97.7 | Very high | 74 Ų | 74 | 62.5 Ų | 62.5 | 76% | 0.763 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 17.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 137 | T | 97.6 | Very high | 97.4 | Very high | 17 Ų | 17 | 62.1 Ų | 62.1 | 10% | 0.104 | 33% | 0.328 | C | S | . | . | trans | -98.6 | -4.4 | -176 | 54.4 | 0 | 0 | 0 | 0 | 114 | L111 C132 W134 P135 S139 A140 F141 | L111-T137 HydrophobicContact CD1-CG2 3.74Å; L111-T137 HydrophobicContact CD2-CG2 4.1Å; C132-T137 PolarHBondContact SG-OG1 3Å; W134-T137 HydrophobicContact CB-CG2 3.83Å; W134-T137 WeakPolarHBondContact O-CG2 3.17Å; W134-T137 PolarHBondContact O-OG1 2.77Å; P135-T137 VanDerWaalsContact C-N 3.27Å; P135-T137 PolarHBondContact O-N 2.82Å; T137-S139 PolarHBondContact O-N 3.17Å; T137-S139 VanDerWaalsContact O-N 3.09Å; T137-A140 PolarHBondContact O-N 3.26Å; T137-F141 WeakPolarHBondContact O-CB 3.25Å; T137-F141 PolarHBondContact O-N 3.15Å | ||
| 138 | E | 96.4 | Very high | 97 | Very high | 153 Ų | 153 | 62.3 Ų | 62.3 | 72% | 0.715 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -32 | -175.9 | -62 | 177.6 | 147.9 | 0 | 0 | 113.2 | ||
| 139 | S | 97.3 | Very high | 96.8 | Very high | 82 Ų | 82 | 65.6 Ų | 65.6 | 57% | 0.573 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 0.6 | 178.1 | 65.3 | 0 | 0 | 0 | 0 | 114.4 | P114 T137 | P114-S139 WeakPolarHBondContact CG-O 3.37Å; T137-S139 PolarHBondContact O-N 3.17Å; T137-S139 VanDerWaalsContact O-N 3.09Å |
| 140 | A | 98 | Very high | 96.6 | Very high | 20 Ų | 20 | 60.4 Ų | 60.4 | 17% | 0.165 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.5 | -25 | -174 | 0 | 0 | 0 | 0 | 0 | 113.1 | L111 G112 T137 Q142 | L111-A140 HydrophobicContact CD1-CB 3.9Å; G112-A140 PolarHBondContact N-O 2.9Å; G112-A140 VanDerWaalsContact N-O 3.11Å; G112-A140 WeakPolarHBondContact O-CA 3.42Å; G112-A140 WeakPolarHBondContact O-CB 3.45Å; G112-A140 VanDerWaalsContact O-O 3.1Å; T137-A140 PolarHBondContact O-N 3.26Å; A140-Q142 PolarHBondContact O-N 3.36Å; A140-Q142 PolarHBondContact O-NE2 2.85Å |
| 141 | F | 98.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.009 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 123.3 | 178.1 | -169.1 | -125.2 | 0 | 0 | 0 | 109.4 | V109 T110 L111 A125 C132 T137 V158 Y160 | V109-F141 HydrophobicContact CB-CE2 3.77Å; V109-F141 HydrophobicContact CB-CZ 3.72Å; V109-F141 HydrophobicContact CG1-CE2 4.38Å; V109-F141 HydrophobicContact CG1-CZ 3.85Å; V109-F141 HydrophobicContact CG2-CE2 4.17Å; V109-F141 HydrophobicContact CG2-CZ 4.12Å; T110-F141 WeakPolarHBondContact O-CD2 3.22Å; L111-F141 HydrophobicContact CD1-CB 3.91Å; L111-F141 HydrophobicContact CD1-CD2 4.26Å; A125-F141 HydrophobicContact CB-CB 4.39Å; A125-F141 HydrophobicContact CB-CD1 3.31Å; A125-F141 HydrophobicContact CB-CE1 3.75Å; A125-F141 HydrophobicContact CB-CG 4.03Å; A125-F141 WeakPolarHBondContact CB-O 3.24Å; A125-F141 PolarHBondContact N-O 3.14Å; C132-F141 HydrophobicContact CB-CD1 4.25Å; C132-F141 HydrophobicContact CB-CD2 4.05Å; C132-F141 HydrophobicContact CB-CE1 4.19Å; C132-F141 HydrophobicContact CB-CE2 4Å; C132-F141 HydrophobicContact CB-CG 4.2Å; C132-F141 HydrophobicContact CB-CZ 4.07Å; T137-F141 WeakPolarHBondContact O-CB 3.25Å; T137-F141 PolarHBondContact O-N 3.15Å; F141-V158 HydrophobicContact CE1-CB 4.1Å; F141-V158 HydrophobicContact CE1-CG2 3.94Å; F141-V158 HydrophobicContact CZ-CB 3.78Å; F141-V158 HydrophobicContact CZ-CG1 4.09Å; F141-V158 HydrophobicContact CZ-CG2 3.97Å; F141-Y160 AromaticContact CE2-CE2 3.84Å; F141-Y160 HydrophobicContact CE2-CE2 3.84Å; F141-Y160 HydrophobicContact CZ-CE2 4.36Å |
| 142 | Q | 98.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.009 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 155.4 | -168.3 | -70 | 167 | 88.3 | 0 | 0 | 110.7 | V109 T110 G112 F122 E123 L124 A140 | V109-Q142 CarbonylContact C-O 3.3Å; V109-Q142 VanDerWaalsContact CA-O 3.25Å; V109-Q142 WeakPolarHBondContact CA-O 3.18Å; T110-Q142 HydrophobicContact CG2-CB 4.19Å; T110-Q142 PolarHBondContact N-O 3.24Å; T110-Q142 PolarHBondContact O-N 3.04Å; G112-Q142 PolarHBondContact O-NE2 2.93Å; G112-Q142 VanDerWaalsContact O-NE2 3.09Å; F122-Q142 HydrophobicContact CB-CB 4.04Å; F122-Q142 HydrophobicContact CD1-CB 4.24Å; E123-Q142 CarbonylContact O-C 3.44Å; E123-Q142 WeakPolarHBondContact O-CA 3.43Å; E123-Q142 VanDerWaalsContact O-CB 3.31Å; E123-Q142 WeakPolarHBondContact O-CB 3.27Å; L124-Q142 HydrophobicContact CD2-CG 4.01Å; A140-Q142 PolarHBondContact O-N 3.36Å; A140-Q142 PolarHBondContact O-NE2 2.85Å |
| 143 | V | 98.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.006 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 143.4 | -177.7 | 64.1 | 0 | 0 | 0 | 0 | 110.7 | W71 A107 V108 V109 E123 A125 L130 L151 | W71-V143 HydrophobicContact CH2-CG2 4.24Å; W71-V143 HydrophobicContact CZ3-CG2 4.04Å; A107-V143 HydrophobicContact CB-CG2 4.35Å; V108-V143 CarbonylContact O-C 3.52Å; V108-V143 WeakPolarHBondContact O-CA 3.47Å; V109-V143 HydrophobicContact CG1-CB 4.04Å; V109-V143 HydrophobicContact CG1-CG2 3.86Å; E123-V143 PolarHBondContact N-O 2.97Å; E123-V143 PolarHBondContact O-N 2.67Å; A125-V143 HydrophobicContact CB-CG1 4.45Å; L130-V143 HydrophobicContact CD1-CG1 4.47Å; V143-L151 HydrophobicContact CG1-CD1 4.01Å; V143-L151 HydrophobicContact CG2-CD1 4.27Å; V143-L151 HydrophobicContact CG2-CD2 3.72Å |
| 144 | H | 98.6 | Very high | 96.1 | Very high | 45 Ų | 45 | 58.1 Ų | 58.1 | 21% | 0.208 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 121.4 | 171.1 | -169.7 | -59.5 | 0 | 0 | 0 | 108.4 | L97 A107 V108 F120 G121 F122 | L97-H144 HydrophobicContact CD2-CB 4.49Å; A107-H144 WeakPolarHBondContact CA-O 3.37Å; A107-H144 WeakPolarHBondContact CB-O 3.41Å; V108-H144 PolarHBondContact N-O 3.16Å; V108-H144 PolarHBondContact O-N 3.35Å; F120-H144 PolarHBondContact O-CD2 3.02Å; F120-H144 VanDerWaalsContact O-CD2 3.3Å; F120-H144 PolarHBondContact O-NE2 3.41Å; G121-H144 PolarHBondContact O-CD2 3.11Å; F122-H144 HydrophobicContact CD1-CB 3.72Å; F122-H144 HydrophobicContact CD2-CB 4.11Å; F122-H144 HydrophobicContact CE1-CB 3.68Å; F122-H144 HydrophobicContact CE2-CB 4.08Å; F122-H144 HydrophobicContact CG-CB 3.94Å; F122-H144 HydrophobicContact CZ-CB 3.87Å |
| 145 | R | 97.9 | Very high | 96.1 | Very high | 73 Ų | 73 | 58.2 Ų | 58.2 | 28% | 0.275 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 140.5 | 176 | 74.5 | -175.9 | 75.8 | -159.4 | 2 | 110.5 | E123 A147 D148 A150 L151 | E123-R145 IonicContact OE2-NH2 3.92Å; R145-A147 WeakPolarHBondContact CB-O 3.1Å; R145-D148 PolarHBondContact NH1-O 3.38Å; R145-A150 HydrophobicContact CB-CB 4.38Å; R145-L151 HydrophobicContact CB-CD1 4.09Å; R145-L151 HydrophobicContact CB-CD2 4.37Å; R145-L151 HydrophobicContact CB-CG 3.92Å |
| 146 | L | 97.6 | Very high | 96.2 | Very high | 28 Ų | 28 | 52.7 Ų | 52.7 | 15% | 0.147 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -99.5 | -31.1 | 171.8 | -61 | 177.8 | 0 | 0 | 0 | 111.1 | L97 L100 N101 Y105 A106 V108 | L97-L146 HydrophobicContact CB-CD2 4.04Å; L97-L146 HydrophobicContact CD2-CD2 3.83Å; L100-L146 HydrophobicContact CB-CD1 3.73Å; N101-L146 HydrophobicContact CB-CB 4.26Å; N101-L146 HydrophobicContact CB-CD1 4.46Å; N101-L146 HydrophobicContact CB-CD2 4.37Å; N101-L146 PolarHBondContact OD1-O 2.82Å; Y105-L146 WeakPolarHBondContact O-CB 3.44Å; Y105-L146 WeakPolarHBondContact O-CD1 3.43Å; A106-L146 WeakPolarHBondContact O-CB 3.5Å; A106-L146 PolarHBondContact O-N 3.2Å; V108-L146 HydrophobicContact CG2-CD1 3.99Å; V108-L146 HydrophobicContact CG2-CD2 4.45Å; V108-L146 HydrophobicContact CG2-CG 4.33Å |
| 147 | A | 91.3 | Very high | 96.4 | Very high | 38 Ų | 38 | 50.6 Ų | 50.6 | 31% | 0.314 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -107.8 | 148.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A106 R145 D149 A150 | A106-A147 PolarHBondContact O-N 3.04Å; R145-A147 WeakPolarHBondContact CB-O 3.1Å; A147-D149 PolarHBondContact O-N 2.84Å; A147-A150 HydrophobicContact CB-CB 4.19Å; A147-A150 WeakPolarHBondContact O-CB 3.07Å; A147-A150 PolarHBondContact O-N 3.24Å; A147-A150 VanDerWaalsContact O-N 3.16Å |
| 148 | D | 89.7 | Confident | 96.5 | Very high | 145 Ų | 145 | 49.8 Ų | 49.8 | 78% | 0.775 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -35.2 | -174.5 | -85.7 | -14.8 | 0 | 0 | 0 | 113.3 | R145 | R145-D148 PolarHBondContact NH1-O 3.38Š|
| 149 | D | 92.5 | Very high | 96.6 | Very high | 109 Ų | 109 | 46 Ų | 46 | 58% | 0.583 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 4 | -177 | 61.9 | -11.6 | 0 | 0 | 0 | 114.4 | A147 L151 N152 | A147-D149 PolarHBondContact O-N 2.84Å; D149-L151 PolarHBondContact O-N 3.49Å; D149-N152 WeakPolarHBondContact O-CB 3.33Å; D149-N152 PolarHBondContact O-N 3.28Å |
| 150 | A | 93.8 | Very high | 96.6 | Very high | 14 Ų | 14 | 43 Ų | 43 | 12% | 0.116 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -24.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A106 R145 A147 | A106-A150 HydrophobicContact CB-CB 4.02Å; A106-A150 WeakPolarHBondContact O-CB 3.37Å; R145-A150 HydrophobicContact CB-CB 4.38Å; A147-A150 HydrophobicContact CB-CB 4.19Å; A147-A150 WeakPolarHBondContact O-CB 3.07Å; A147-A150 PolarHBondContact O-N 3.24Å; A147-A150 VanDerWaalsContact O-N 3.16Å |
| 151 | L | 95.8 | Very high | 96.6 | Very high | 9 Ų | 9 | 43.6 Ų | 43.6 | 5% | 0.047 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -8.7 | -179.7 | -49.4 | -174.4 | 0 | 0 | 0 | 112.7 | W71 A107 V143 R145 D149 G153 V154 | W71-L151 HydrophobicContact CH2-CD2 3.4Å; W71-L151 VanDerWaalsContact CH2-CD2 3.4Å; W71-L151 HydrophobicContact CZ2-CD2 3.43Å; W71-L151 VanDerWaalsContact CZ2-CD2 3.43Å; W71-L151 HydrophobicContact CZ3-CD2 4.41Å; A107-L151 HydrophobicContact CB-CD2 4Å; V143-L151 HydrophobicContact CG1-CD1 4.01Å; V143-L151 HydrophobicContact CG2-CD1 4.27Å; V143-L151 HydrophobicContact CG2-CD2 3.72Å; R145-L151 HydrophobicContact CB-CD1 4.09Å; R145-L151 HydrophobicContact CB-CD2 4.37Å; R145-L151 HydrophobicContact CB-CG 3.92Å; D149-L151 PolarHBondContact O-N 3.49Å; L151-G153 PolarHBondContact O-N 2.97Å; L151-G153 VanDerWaalsContact O-N 3.16Å; L151-V154 PolarHBondContact O-N 3.16Å |
| 152 | N | 94.6 | Very high | 96.6 | Very high | 115 Ų | 115 | 50.3 Ų | 50.3 | 62% | 0.615 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 114.5 | -172.9 | -70 | -17.2 | 0 | 0 | 0 | 110.8 | D149 V154 | D149-N152 WeakPolarHBondContact O-CB 3.33Å; D149-N152 PolarHBondContact O-N 3.28Å; N152-V154 PolarHBondContact O-N 3.44Å |
| 153 | G | 95.3 | Very high | 96.5 | Very high | 80 Ų | 80 | 51.7 Ų | 51.7 | 83% | 0.825 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 3.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L151 | L151-G153 PolarHBondContact O-N 2.97Å; L151-G153 VanDerWaalsContact O-N 3.16Å |
| 154 | V | 97.4 | Very high | 96.5 | Very high | 25 Ų | 25 | 52.8 Ų | 52.8 | 15% | 0.152 | 30% | 0.295 | C | S | . | . | trans | -96.3 | 115.1 | 177.3 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | V64 L69 W71 L130 L151 N152 | V64-V154 HydrophobicContact CB-CG1 4.28Å; V64-V154 HydrophobicContact CG1-CG1 3.78Å; V64-V154 HydrophobicContact CG2-CG1 4.3Å; L69-V154 HydrophobicContact CD1-CB 4.43Å; L69-V154 HydrophobicContact CD1-CG1 3.55Å; L69-V154 HydrophobicContact CD1-CG2 3.98Å; W71-V154 HydrophobicContact CH2-CG1 3.85Å; W71-V154 HydrophobicContact CZ2-CB 4.24Å; W71-V154 HydrophobicContact CZ2-CG1 3.67Å; L130-V154 HydrophobicContact CD2-CG1 4.46Å; L151-V154 PolarHBondContact O-N 3.16Å; N152-V154 PolarHBondContact O-N 3.44Å | ||
| 155 | T | 98 | Very high | 96.3 | Very high | 66 Ų | 66 | 54 Ų | 54 | 41% | 0.405 | 30% | 0.303 | S | S | . | . | trans | -143.6 | 159.6 | -176.2 | 63.2 | 0 | 0 | 0 | 0 | 111 | Q65 D129 | Q65-T155 VanDerWaalsContact CG-O 3.29Å; Q65-T155 WeakPolarHBondContact CG-O 3.47Å; Q65-T155 PolarHBondContact NE2-O 3.09Å; D129-T155 HydrophobicContact CB-CG2 3.83Å | ||
| 156 | G | 98.1 | Very high | 96 | Very high | 9 Ų | 9 | 54.3 Ų | 54.3 | 9% | 0.093 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 113 | -148.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | D129 L130 R131 | D129-G156 PolarHBondContact O-N 3.24Å; L130-G156 WeakPolarHBondContact CA-O 3.39Å; R131-G156 PolarHBondContact N-O 2.95Å |
| 157 | L | 98.6 | Very high | 94.9 | Very high | 30 Ų | 30 | 65.2 Ų | 65.2 | 16% | 0.157 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 122.1 | -175.3 | 176.9 | 60.6 | 0 | 0 | 0 | 110.2 | V64 Q65 R131 R133 E159 | V64-L157 WeakPolarHBondContact CA-O 3.26Å; Q65-L157 PolarHBondContact N-O 3.27Å; R131-L157 CarbonylContact O-C 3.53Å; R131-L157 WeakPolarHBondContact O-CA 3.47Å; R133-L157 HydrophobicContact CB-CD1 4.18Å; L157-E159 HydrophobicContact CD1-CG 4.42Å; L157-E159 HydrophobicContact CD2-CG 3.74Å; L157-E159 HydrophobicContact CG-CG 3.65Å |
| 158 | V | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 120.7 | 167.3 | -172.5 | 0 | 0 | 0 | 0 | 108.7 | V62 D63 V64 W71 V109 L130 R131 F141 | V62-V158 HydrophobicContact CB-CG1 3.77Å; V62-V158 HydrophobicContact CG1-CG1 4.35Å; V62-V158 HydrophobicContact CG2-CG1 3.71Å; D63-V158 CarbonylContact O-C 3.6Å; D63-V158 VanDerWaalsContact O-CA 3.27Å; D63-V158 WeakPolarHBondContact O-CA 3.16Å; V64-V158 HydrophobicContact CG2-CG2 4.25Å; W71-V158 HydrophobicContact CZ3-CG2 4.5Å; V109-V158 HydrophobicContact CG1-CG1 4.49Å; V109-V158 HydrophobicContact CG2-CG1 4Å; L130-V158 HydrophobicContact CB-CG2 4.4Å; L130-V158 HydrophobicContact CD2-CG2 3.78Å; R131-V158 PolarHBondContact O-N 2.88Å; F141-V158 HydrophobicContact CE1-CB 4.1Å; F141-V158 HydrophobicContact CE1-CG2 3.94Å; F141-V158 HydrophobicContact CZ-CB 3.78Å; F141-V158 HydrophobicContact CZ-CG1 4.09Å; F141-V158 HydrophobicContact CZ-CG2 3.97Å |
| 159 | E | 98.6 | Very high | 95.4 | Very high | 73 Ų | 73 | 62.5 Ų | 62.5 | 34% | 0.341 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 118.7 | -177.4 | -60.6 | -166.6 | 76.1 | 0 | 0 | 110.1 | V62 D63 L157 | V62-E159 CarbonylContact C-O 3.5Å; V62-E159 WeakPolarHBondContact CA-O 3.35Å; V62-E159 WeakPolarHBondContact CB-O 3.35Å; D63-E159 PolarHBondContact N-O 3.17Å; D63-E159 PolarHBondContact O-N 3.16Å; L157-E159 HydrophobicContact CD1-CG 4.42Å; L157-E159 HydrophobicContact CD2-CG 3.74Å; L157-E159 HydrophobicContact CG-CG 3.65Å |
| 160 | Y | 98.6 | Very high | 95.5 | Very high | 18 Ų | 18 | 59.9 Ų | 59.9 | 7% | 0.071 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 159.7 | 167.8 | -74.5 | -112.8 | 0 | 0 | 0 | 110 | V62 V109 W134 F141 F164 | V62-Y160 HydrophobicContact CG1-CD1 3.86Å; V62-Y160 HydrophobicContact CG1-CD2 3.93Å; V62-Y160 HydrophobicContact CG1-CE1 4.06Å; V62-Y160 HydrophobicContact CG1-CE2 4.09Å; V62-Y160 HydrophobicContact CG1-CG 3.81Å; V109-Y160 HydrophobicContact CG2-CE2 4.01Å; V109-Y160 WeakPolarHBondContact CG2-OH 3.21Å; V109-Y160 PolarHBondContact O-OH 3.41Å; W134-Y160 HydrophobicContact CH2-CD2 4.05Å; W134-Y160 HydrophobicContact CH2-CG 4.07Å; W134-Y160 HydrophobicContact CZ3-CD2 4.18Å; W134-Y160 HydrophobicContact CZ3-CE2 4.39Å; F141-Y160 AromaticContact CE2-CE2 3.84Å; F141-Y160 HydrophobicContact CE2-CE2 3.84Å; F141-Y160 HydrophobicContact CZ-CE2 4.36Å; Y160-F164 AromaticContact CD1-CD1 3.82Å; Y160-F164 HydrophobicContact CD1-CD1 3.82Å; Y160-F164 AromaticContact CD1-CD2 3.93Å; Y160-F164 HydrophobicContact CD1-CD2 3.93Å; Y160-F164 AromaticContact CD1-CE1 3.65Å; Y160-F164 HydrophobicContact CD1-CE1 3.65Å; Y160-F164 AromaticContact CD1-CE2 3.79Å; Y160-F164 HydrophobicContact CD1-CE2 3.79Å; Y160-F164 AromaticContact CD1-CG 3.95Å; Y160-F164 HydrophobicContact CD1-CG 3.95Å; Y160-F164 AromaticContact CD1-CZ 3.65Å; Y160-F164 HydrophobicContact CD1-CZ 3.65Å; Y160-F164 HydrophobicContact CE1-CD1 4.42Å; Y160-F164 AromaticContact CE1-CE1 3.99Å; Y160-F164 HydrophobicContact CE1-CE1 3.99Å; Y160-F164 HydrophobicContact CE1-CZ 4.14Å; Y160-F164 HydrophobicContact CG-CD1 4.43Å; Y160-F164 HydrophobicContact CG-CD2 4.35Å; Y160-F164 HydrophobicContact CG-CG 4.26Å |
| 161 | H | 98.2 | Very high | 95.6 | Very high | 34 Ų | 34 | 62.6 Ų | 62.6 | 16% | 0.157 | 33% | 0.328 | C | S | . | . | trans | -52.1 | 148.9 | 171.1 | -169 | -97.3 | 0 | 0 | 0 | 111.9 | L34 F39 H163 F164 | L34-H161 HydrophobicContact CD2-CB 4.17Å; F39-H161 AromaticContact CD1-CD2 3.58Å; F39-H161 AromaticContact CD1-NE2 3.98Å; F39-H161 AromaticContact CD2-CD2 3.86Å; F39-H161 AromaticContact CD2-CE1 3.71Å; F39-H161 AromaticContact CD2-NE2 3.48Å; F39-H161 WeakPolarHBondContact CD2-NE2 3.45Å; F39-H161 AromaticContact CE1-CD2 3.59Å; F39-H161 AromaticContact CE1-NE2 3.74Å; F39-H161 AromaticContact CE2-CD2 3.87Å; F39-H161 AromaticContact CE2-CE1 3.76Å; F39-H161 AromaticContact CE2-NE2 3.21Å; F39-H161 WeakPolarHBondContact CE2-NE2 3.29Å; F39-H161 AromaticContact CG-CD2 3.71Å; F39-H161 AromaticContact CG-NE2 3.85Å; F39-H161 AromaticContact CZ-CD2 3.73Å; F39-H161 AromaticContact CZ-NE2 3.35Å; F39-H161 WeakPolarHBondContact CZ-NE2 3.49Å; H161-H163 AromaticContact CE1-CD2 3.32Å; H161-H163 PolarHBondContact CE1-CD2 3.43Å; H161-H163 AromaticContact CE1-CG 3.81Å; H161-H163 AromaticContact CE1-NE2 3.72Å; H161-H163 AromaticContact ND1-CD2 3.17Å; H161-H163 PolarHBondContact ND1-CD2 3.5Å; H161-H163 AromaticContact ND1-CG 3.43Å; H161-H163 PolarHBondContact ND1-N 3.4Å; H161-H163 PolarHBondContact O-N 3.39Å; H161-F164 HydrophobicContact CB-CD2 4.46Å; H161-F164 WeakPolarHBondContact O-CB 3.48Å; H161-F164 WeakPolarHBondContact O-CD2 3.38Å; H161-F164 PolarHBondContact O-N 3.23Å | ||
| 162 | E | 97.5 | Very high | 95.6 | Very high | 142 Ų | 142 | 65.9 Ų | 65.9 | 66% | 0.664 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -60.5 | -22.4 | -174.5 | 67.4 | 176.1 | 124.9 | 0 | 0 | 113.9 | F164 N165 | E162-F164 PolarHBondContact O-N 2.92Å; E162-F164 VanDerWaalsContact O-N 3.11Å; E162-N165 VanDerWaalsContact O-CB 3.28Å; E162-N165 WeakPolarHBondContact O-CB 3.45Å; E162-N165 PolarHBondContact O-N 2.85Å; E162-N165 PolarHBondContact O-ND2 3.42Å |
| 163 | H | 97.9 | Very high | 95.7 | Very high | 32 Ų | 32 | 62.7 Ų | 62.7 | 15% | 0.148 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -55.5 | -25.8 | 172.6 | -77.3 | -37.5 | 0 | 0 | 0 | 113.4 | L30 L34 D37 H161 N165 R166 | L30-H163 HydrophobicContact CD1-CB 3.92Å; L30-H163 WeakPolarHBondContact CD1-O 3.45Å; L34-H163 HydrophobicContact CD2-CB 4.11Å; L34-H163 HydrophobicContact CG-CB 4.36Å; D37-H163 IonicContact OD2-CD2 3.69Å; D37-H163 IonicContact OD2-CE1 2.71Å; D37-H163 PolarHBondContact OD2-CE1 2.85Å; D37-H163 IonicContact OD2-NE2 3.64Å; D37-H163 PolarHBondContact OD2-NE2 3.02Å; H161-H163 AromaticContact CE1-CD2 3.32Å; H161-H163 PolarHBondContact CE1-CD2 3.43Å; H161-H163 AromaticContact CE1-CG 3.81Å; H161-H163 AromaticContact CE1-NE2 3.72Å; H161-H163 AromaticContact ND1-CD2 3.17Å; H161-H163 PolarHBondContact ND1-CD2 3.5Å; H161-H163 AromaticContact ND1-CG 3.43Å; H161-H163 PolarHBondContact ND1-N 3.4Å; H161-H163 PolarHBondContact O-N 3.39Å; H163-N165 VanDerWaalsContact C-N 3.26Å; H163-N165 PolarHBondContact O-N 3.28Å; H163-R166 VanDerWaalsContact O-CZ 3.29Å; H163-R166 PolarHBondContact O-NE 2.96Å; H163-R166 PolarHBondContact O-NH2 2.96Å |
| 164 | F | 97.8 | Very high | 95.7 | Very high | 23 Ų | 23 | 61.4 Ų | 61.4 | 10% | 0.101 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -73.6 | -13.9 | 175.2 | -76.7 | -99.2 | 0 | 0 | 0 | 113.7 | L30 L34 S60 A75 W134 Y160 H161 E162 R166 | L30-F164 HydrophobicContact CD1-CD1 4.32Å; L30-F164 HydrophobicContact CD1-CD2 3.95Å; L30-F164 HydrophobicContact CD1-CE1 4.43Å; L30-F164 HydrophobicContact CD1-CE2 4.06Å; L30-F164 HydrophobicContact CD1-CG 4.09Å; L30-F164 HydrophobicContact CD1-CZ 4.3Å; L30-F164 HydrophobicContact CD2-CD1 3.91Å; L30-F164 HydrophobicContact CD2-CE1 3.63Å; L30-F164 HydrophobicContact CD2-CZ 3.98Å; L34-F164 HydrophobicContact CD1-CE2 3.83Å; L34-F164 HydrophobicContact CD1-CZ 4.11Å; L34-F164 HydrophobicContact CD2-CE2 4.17Å; S60-F164 VanDerWaalsContact OG-CE2 3.27Å; S60-F164 WeakPolarHBondContact OG-CE2 3.49Å; S60-F164 WeakPolarHBondContact OG-CZ 3.39Å; A75-F164 HydrophobicContact CB-CE1 3.74Å; A75-F164 HydrophobicContact CB-CZ 4.2Å; W134-F164 HydrophobicContact CH2-CB 3.84Å; W134-F164 HydrophobicContact CH2-CD1 4.3Å; W134-F164 HydrophobicContact CH2-CG 4.39Å; W134-F164 HydrophobicContact CZ2-CB 3.69Å; Y160-F164 AromaticContact CD1-CD1 3.82Å; Y160-F164 HydrophobicContact CD1-CD1 3.82Å; Y160-F164 AromaticContact CD1-CD2 3.93Å; Y160-F164 HydrophobicContact CD1-CD2 3.93Å; Y160-F164 AromaticContact CD1-CE1 3.65Å; Y160-F164 HydrophobicContact CD1-CE1 3.65Å; Y160-F164 AromaticContact CD1-CE2 3.79Å; Y160-F164 HydrophobicContact CD1-CE2 3.79Å; Y160-F164 AromaticContact CD1-CG 3.95Å; Y160-F164 HydrophobicContact CD1-CG 3.95Å; Y160-F164 AromaticContact CD1-CZ 3.65Å; Y160-F164 HydrophobicContact CD1-CZ 3.65Å; Y160-F164 HydrophobicContact CE1-CD1 4.42Å; Y160-F164 AromaticContact CE1-CE1 3.99Å; Y160-F164 HydrophobicContact CE1-CE1 3.99Å; Y160-F164 HydrophobicContact CE1-CZ 4.14Å; Y160-F164 HydrophobicContact CG-CD1 4.43Å; Y160-F164 HydrophobicContact CG-CD2 4.35Å; Y160-F164 HydrophobicContact CG-CG 4.26Å; H161-F164 HydrophobicContact CB-CD2 4.46Å; H161-F164 WeakPolarHBondContact O-CB 3.48Å; H161-F164 WeakPolarHBondContact O-CD2 3.38Å; H161-F164 PolarHBondContact O-N 3.23Å; E162-F164 PolarHBondContact O-N 2.92Å; E162-F164 VanDerWaalsContact O-N 3.11Å; F164-R166 PolarHBondContact O-N 3.41Å |
| 165 | N | 95.4 | Very high | 95.6 | Very high | 70 Ų | 70 | 64.2 Ų | 64.2 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | trans | -80.2 | 54.4 | -179.1 | -61 | -42.7 | 0 | 0 | 0 | 112.2 | R133 E162 H163 | R133-N165 WeakPolarHBondContact CD-OD1 3.4Å; R133-N165 PolarHBondContact NE-OD1 3.06Å; R133-N165 PolarHBondContact NH1-ND2 2.8Å; R133-N165 VanDerWaalsContact NH1-ND2 3.19Å; E162-N165 VanDerWaalsContact O-CB 3.28Å; E162-N165 WeakPolarHBondContact O-CB 3.45Å; E162-N165 PolarHBondContact O-N 2.85Å; E162-N165 PolarHBondContact O-ND2 3.42Å; H163-N165 VanDerWaalsContact C-N 3.26Å; H163-N165 PolarHBondContact O-N 3.28Å | ||
| 166 | R | 90.7 | Very high | 95.4 | Very high | 80 Ų | 80 | 64.1 Ų | 64.1 | 30% | 0.302 | 30% | 0.295 | S | S | . | . | trans | -118.7 | 151.7 | 178.3 | 62.8 | -175.7 | 70.7 | -150.6 | -4.8 | 111.2 | K29 L30 D33 H163 F164 | K29-R166 PolarHBondContact O-NH1 3.49Å; L30-R166 VanDerWaalsContact N-NH1 3.14Å; D33-R166 IonicContact OD2-CZ 2.67Å; D33-R166 VanDerWaalsContact OD2-CZ 3.3Å; D33-R166 IonicContact OD2-NH1 2.76Å; D33-R166 PolarHBondContact OD2-NH1 3Å; D33-R166 IonicContact OD2-NH2 3.2Å; D33-R166 PolarHBondContact OD2-NH2 3.19Å; H163-R166 VanDerWaalsContact O-CZ 3.29Å; H163-R166 PolarHBondContact O-NE 2.96Å; H163-R166 PolarHBondContact O-NH2 2.96Å; F164-R166 PolarHBondContact O-N 3.41Å | ||
| 167 | F | 74.8 | Confident | 95.2 | Very high | 258 Ų | 258 | 69.1 Ų | 69.1 | 100% | 1.132 | 31% | 0.313 | S | S | * | . | trans | -116.6 | 0 | 174.8 | -179.9 | -91.2 | 0 | 0 | 0 | 109.6 |
Retrieved 167 of 167 residues in 177.4 ms
(Link to these results)