| 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 | 38.5 | Very low | 69.7 | Low | 246 Ų | 246 | 128.1 Ų | 128.1 | 100% | 1.212 | 66% | 0.658 | S | S | * | * | 0 | 114.5 | 0 | -76.9 | 167.5 | 145.1 | 0 | 0 | 107.4 | |||||
| 2 | G | 42.6 | Very low | 71.6 | Confident | 75 Ų | 75 | 121 Ų | 121 | 77% | 0.773 | 63% | 0.625 | S | S | * | * | trans | -64.1 | 133.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q4 | G2-Q4 PolarHBondContact O-N 3.17Š| ||
| 3 | K | 49 | Very low | 73.3 | Confident | 207 Ų | 207 | 113.5 Ų | 113.5 | 90% | 0.9 | 59% | 0.587 | S | S | * | * | trans | -57.8 | 107 | 169.6 | -76.5 | 179.2 | 174.7 | 178.9 | 0 | 107.4 | N5 | K3-N5 PolarHBondContact O-N 3.2Š| ||
| 4 | Q | 57.6 | Low | 74.8 | Confident | 122 Ų | 122 | 112.7 Ų | 112.7 | 57% | 0.57 | 58% | 0.579 | S | S | * | * | trans | -54.1 | 123.5 | 165.2 | -81 | 176.9 | -21.5 | 0 | 0 | 106.8 | G2 S6 P39 | G2-Q4 PolarHBondContact O-N 3.17Å; Q4-S6 PolarHBondContact O-N 2.97Å; Q4-S6 PolarHBondContact O-OG 2.95Å; Q4-P39 PolarHBondContact NE2-O 3.37Å | ||
| 5 | N | 61.9 | Low | 76.2 | Confident | 123 Ų | 123 | 108.2 Ų | 108.2 | 66% | 0.658 | 56% | 0.556 | S | S | * | * | trans | -69.3 | 99.2 | -172.7 | -152.5 | 10.6 | 0 | 0 | 0 | 107.8 | K3 K7 | K3-N5 PolarHBondContact O-N 3.2Å; N5-K7 PolarHBondContact O-N 3.14Å | ||
| 6 | S | 72.1 | Confident | 77.4 | Confident | 72 Ų | 72 | 101.4 Ų | 101.4 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | trans | -72.5 | 19.1 | -172.9 | -39.4 | 0 | 0 | 0 | 0 | 114 | Q4 | Q4-S6 PolarHBondContact O-N 2.97Å; Q4-S6 PolarHBondContact O-OG 2.95Å | ||
| 7 | K | 84.5 | Confident | 78.4 | Confident | 154 Ų | 154 | 102.3 Ų | 102.3 | 67% | 0.67 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -125.8 | 134.9 | -179.2 | -68.8 | -171.6 | 176.6 | -173.2 | 0 | 109.5 | N5 | N5-K7 PolarHBondContact O-N 3.14Š|
| 8 | L | 88.6 | Confident | 79.3 | Confident | 15 Ų | 15 | 104.2 Ų | 104.2 | 8% | 0.079 | 52% | 0.523 | C | S | . | . | trans | -63.2 | 137.9 | 172.2 | -65.2 | 163 | 0 | 0 | 0 | 109.8 | V12 L13 L16 L27 Q28 Y31 F82 | L8-V12 HydrophobicContact CD2-CG1 3.91Å; L8-L13 HydrophobicContact CB-CB 4.49Å; L8-L13 HydrophobicContact CB-CD1 4.4Å; L8-L13 HydrophobicContact CD1-CD1 3.85Å; L8-L16 HydrophobicContact CD1-CD1 3.95Å; L8-L16 HydrophobicContact CD2-CD1 4.27Å; L8-L27 HydrophobicContact CD1-CB 4.05Å; L8-Q28 VanDerWaalsContact N-OE1 3.12Å; L8-Y31 HydrophobicContact CD1-CG 4.27Å; L8-Y31 HydrophobicContact CD2-CD1 3.78Å; L8-Y31 HydrophobicContact CD2-CD2 3.58Å; L8-Y31 HydrophobicContact CD2-CE1 3.96Å; L8-Y31 HydrophobicContact CD2-CE2 3.77Å; L8-Y31 HydrophobicContact CD2-CG 3.56Å; L8-Y31 HydrophobicContact CG-CD1 3.65Å; L8-Y31 HydrophobicContact CG-CD2 4.21Å; L8-Y31 HydrophobicContact CG-CE1 4.17Å; L8-Y31 HydrophobicContact CG-CG 3.66Å; L8-F82 HydrophobicContact CD1-CE1 3.96Å; L8-F82 HydrophobicContact CD2-CD1 3.98Å; L8-F82 HydrophobicContact CD2-CE1 3.96Å | ||
| 9 | R | 90.5 | Very high | 80.1 | Confident | 166 Ų | 166 | 102.8 Ų | 102.8 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | trans | -66 | 149.8 | 172.1 | -65.5 | -178.7 | -69 | 180 | -0.4 | 110 | E11 V12 L13 | R9-E11 WeakPolarHBondContact CB-OE2 3.48Å; R9-E11 PolarHBondContact O-N 3.2Å; R9-V12 HydrophobicContact CB-CG2 4.23Å; R9-V12 PolarHBondContact O-N 3.37Å; R9-V12 VanDerWaalsContact O-N 3.09Å; R9-L13 PolarHBondContact O-N 3.06Å | ||
| 10 | P | 90.3 | Very high | 80.9 | Confident | 98 Ų | 98 | 98.2 Ų | 98.2 | 64% | 0.636 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -53.7 | -38.7 | -178.9 | -27.1 | 35.8 | 0 | 0 | 0 | 114.1 | L13 Q14 | P10-L13 PolarHBondContact O-N 3.28Å; P10-Q14 PolarHBondContact O-N 3.44Å |
| 11 | E | 91.5 | Very high | 81.5 | Confident | 131 Ų | 131 | 99.4 Ų | 99.4 | 61% | 0.612 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.1 | -39.7 | -179.6 | -53.9 | 78.9 | -169 | 0 | 0 | 111.6 | R9 Q14 D15 | R9-E11 WeakPolarHBondContact CB-OE2 3.48Å; R9-E11 PolarHBondContact O-N 3.2Å; E11-Q14 PolarHBondContact O-N 3.36Å; E11-D15 PolarHBondContact O-N 2.72Å; E11-D15 VanDerWaalsContact O-N 3.14Å |
| 12 | V | 92.3 | Very high | 84.1 | Confident | 43 Ų | 43 | 88.2 Ų | 88.2 | 26% | 0.261 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.9 | -43 | 176 | -179.6 | 0 | 0 | 0 | 0 | 109.9 | L8 R9 Q14 D15 L16 | L8-V12 HydrophobicContact CD2-CG1 3.91Å; R9-V12 HydrophobicContact CB-CG2 4.23Å; R9-V12 PolarHBondContact O-N 3.37Å; R9-V12 VanDerWaalsContact O-N 3.09Å; V12-Q14 VanDerWaalsContact C-N 3.27Å; V12-Q14 PolarHBondContact O-N 2.98Å; V12-D15 PolarHBondContact O-N 2.93Å; V12-L16 HydrophobicContact CG1-CD1 4.03Å; V12-L16 HydrophobicContact CG1-CG 4.22Å; V12-L16 VanDerWaalsContact O-CG 3.27Å; V12-L16 WeakPolarHBondContact O-CG 3.31Å; V12-L16 PolarHBondContact O-N 2.88Å |
| 13 | L | 93.5 | Very high | 86.6 | Confident | 24 Ų | 24 | 88.4 Ų | 88.4 | 13% | 0.126 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -62.7 | -36.4 | 178.7 | -167.5 | 69.7 | 0 | 0 | 0 | 111.8 | L8 R9 P10 R17 D24 L27 | L8-L13 HydrophobicContact CB-CB 4.49Å; L8-L13 HydrophobicContact CB-CD1 4.4Å; L8-L13 HydrophobicContact CD1-CD1 3.85Å; R9-L13 PolarHBondContact O-N 3.06Å; P10-L13 PolarHBondContact O-N 3.28Å; L13-R17 WeakPolarHBondContact O-CG 3.46Å; L13-R17 PolarHBondContact O-N 2.89Å; L13-D24 HydrophobicContact CD2-CB 4.1Å; L13-D24 WeakPolarHBondContact CD2-OD1 3.42Å; L13-D24 VanDerWaalsContact CG-OD1 3.29Å; L13-D24 WeakPolarHBondContact CG-OD1 3.26Å; L13-L27 HydrophobicContact CD1-CB 3.82Å; L13-L27 HydrophobicContact CD1-CD1 3.8Å; L13-L27 HydrophobicContact CD1-CG 4.48Å |
| 14 | Q | 94.1 | Very high | 88.8 | Confident | 102 Ų | 102 | 81.3 Ų | 81.3 | 48% | 0.477 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.2 | -52.1 | 173.2 | -179.7 | 172.5 | 0.6 | 0 | 0 | 111.9 | P10 E11 V12 L16 R17 E18 | P10-Q14 PolarHBondContact O-N 3.44Å; E11-Q14 PolarHBondContact O-N 3.36Å; V12-Q14 VanDerWaalsContact C-N 3.27Å; V12-Q14 PolarHBondContact O-N 2.98Å; Q14-L16 VanDerWaalsContact C-N 3.31Å; Q14-L16 PolarHBondContact O-N 3.39Å; Q14-R17 PolarHBondContact O-N 3.48Å; Q14-E18 VanDerWaalsContact CG-OE1 3.31Å; Q14-E18 WeakPolarHBondContact CG-OE1 3.28Å; Q14-E18 PolarHBondContact NE2-OE1 3.07Å; Q14-E18 WeakPolarHBondContact O-CG 3.28Å; Q14-E18 PolarHBondContact O-N 2.91Å |
| 15 | D | 95.7 | Very high | 90.5 | Very high | 45 Ų | 45 | 82 Ų | 82 | 24% | 0.241 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -56.3 | -44.8 | 177.1 | 164.6 | 75 | 0 | 0 | 0 | 111.7 | E11 V12 R17 E18 N19 R83 | E11-D15 PolarHBondContact O-N 2.72Å; E11-D15 VanDerWaalsContact O-N 3.14Å; V12-D15 PolarHBondContact O-N 2.93Å; D15-R17 PolarHBondContact O-N 3.09Å; D15-E18 PolarHBondContact O-N 2.93Å; D15-N19 PolarHBondContact O-N 3Å; D15-N19 VanDerWaalsContact O-N 3.15Å; D15-N19 PolarHBondContact O-ND2 2.78Å; D15-N19 PolarHBondContact OD1-ND2 3.09Å; D15-N19 VanDerWaalsContact OD1-ND2 3.09Å; D15-R83 IonicContact OD1-CZ 3.71Å; D15-R83 IonicContact OD1-NE 3.59Å; D15-R83 IonicContact OD1-NH2 2.91Å; D15-R83 PolarHBondContact OD1-NH2 2.84Å; D15-R83 IonicContact OD2-CZ 3.54Å; D15-R83 IonicContact OD2-NE 2.72Å; D15-R83 PolarHBondContact OD2-NE 2.8Å; D15-R83 IonicContact OD2-NH2 3.48Å; D15-R83 PolarHBondContact OD2-NH2 2.83Å |
| 16 | L | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.6 | -36.3 | 179.6 | -66.2 | -177.9 | 0 | 0 | 0 | 112.8 | L8 V12 Q14 E18 N19 T20 L27 F82 R83 I86 | L8-L16 HydrophobicContact CD1-CD1 3.95Å; L8-L16 HydrophobicContact CD2-CD1 4.27Å; V12-L16 HydrophobicContact CG1-CD1 4.03Å; V12-L16 HydrophobicContact CG1-CG 4.22Å; V12-L16 VanDerWaalsContact O-CG 3.27Å; V12-L16 WeakPolarHBondContact O-CG 3.31Å; V12-L16 PolarHBondContact O-N 2.88Å; Q14-L16 VanDerWaalsContact C-N 3.31Å; Q14-L16 PolarHBondContact O-N 3.39Å; L16-E18 VanDerWaalsContact C-N 3.35Å; L16-N19 PolarHBondContact O-N 2.79Å; L16-T20 VanDerWaalsContact O-CB 3.28Å; L16-T20 WeakPolarHBondContact O-CB 3.27Å; L16-T20 WeakPolarHBondContact O-CG2 3.27Å; L16-T20 PolarHBondContact O-N 3.34Å; L16-T20 PolarHBondContact O-OG1 2.87Å; L16-L27 HydrophobicContact CB-CD1 3.8Å; L16-L27 HydrophobicContact CB-CD2 4.05Å; L16-L27 HydrophobicContact CD1-CD2 4.29Å; L16-F82 HydrophobicContact CD1-CD1 4.03Å; L16-F82 HydrophobicContact CD1-CE1 3.63Å; L16-R83 HydrophobicContact CD2-CB 4.04Å; L16-R83 HydrophobicContact CD2-CG 3.75Å; L16-I86 HydrophobicContact CD1-CG2 4.34Å; L16-I86 HydrophobicContact CD2-CG2 3.69Å |
| 17 | R | 94.1 | Very high | 93.3 | Very high | 116 Ų | 116 | 75.3 Ų | 75.3 | 44% | 0.438 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66 | -37.2 | 173.6 | -82.3 | -172.5 | -70.6 | -168.1 | 17.4 | 113 | L13 Q14 D15 N19 D24 L27 | L13-R17 WeakPolarHBondContact O-CG 3.46Å; L13-R17 PolarHBondContact O-N 2.89Å; Q14-R17 PolarHBondContact O-N 3.48Å; D15-R17 PolarHBondContact O-N 3.09Å; R17-N19 PolarHBondContact O-N 3.48Å; R17-D24 WeakPolarHBondContact CD-OD1 3.23Å; R17-D24 VanDerWaalsContact CG-OD1 3.28Å; R17-D24 WeakPolarHBondContact CG-OD1 3.43Å; R17-D24 IonicContact CZ-OD1 3.59Å; R17-D24 IonicContact CZ-OD2 3.64Å; R17-D24 IonicContact NE-OD1 2.89Å; R17-D24 PolarHBondContact NE-OD1 3.2Å; R17-D24 IonicContact NE-OD2 2.66Å; R17-D24 IonicContact NH1-OD1 3.48Å; R17-D24 PolarHBondContact NH1-OD1 2.91Å; R17-D24 IonicContact NH1-OD2 2.79Å; R17-D24 PolarHBondContact NH1-OD2 3.29Å; R17-L27 HydrophobicContact CG-CD1 3.98Å |
| 18 | E | 95 | Very high | 93.7 | Very high | 136 Ų | 136 | 70.1 Ų | 70.1 | 64% | 0.636 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -70.8 | -23.3 | 179.9 | -71.2 | 173.3 | -169.1 | 0 | 0 | 111.8 | Q14 D15 L16 | Q14-E18 VanDerWaalsContact CG-OE1 3.31Å; Q14-E18 WeakPolarHBondContact CG-OE1 3.28Å; Q14-E18 PolarHBondContact NE2-OE1 3.07Å; Q14-E18 WeakPolarHBondContact O-CG 3.28Å; Q14-E18 PolarHBondContact O-N 2.91Å; D15-E18 PolarHBondContact O-N 2.93Å; L16-E18 VanDerWaalsContact C-N 3.35Å |
| 19 | N | 94.6 | Very high | 94 | Very high | 78 Ų | 78 | 74.1 Ų | 74.1 | 42% | 0.417 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -111 | -1 | -175.9 | -66.8 | -78 | 0 | 0 | 0 | 114.6 | D15 L16 R17 I87 | D15-N19 PolarHBondContact O-N 3Å; D15-N19 VanDerWaalsContact O-N 3.15Å; D15-N19 PolarHBondContact O-ND2 2.78Å; D15-N19 PolarHBondContact OD1-ND2 3.09Å; D15-N19 VanDerWaalsContact OD1-ND2 3.09Å; L16-N19 PolarHBondContact O-N 2.79Å; R17-N19 PolarHBondContact O-N 3.48Å; N19-I87 HydrophobicContact CB-CD1 3.97Å; N19-I87 HydrophobicContact CB-CG1 4.16Å |
| 20 | T | 94.8 | Very high | 94.2 | Very high | 11 Ų | 11 | 71.1 Ų | 71.1 | 7% | 0.067 | 35% | 0.347 | C | S | . | . | trans | -138.3 | 160.7 | -178.4 | 73.3 | 0 | 0 | 0 | 0 | 113.3 | L16 F22 I86 I87 S90 | L16-T20 VanDerWaalsContact O-CB 3.28Å; L16-T20 WeakPolarHBondContact O-CB 3.27Å; L16-T20 WeakPolarHBondContact O-CG2 3.27Å; L16-T20 PolarHBondContact O-N 3.34Å; L16-T20 PolarHBondContact O-OG1 2.87Å; T20-F22 VanDerWaalsContact C-N 3.25Å; T20-F22 PolarHBondContact O-N 3.43Å; T20-F22 PolarHBondContact OG1-N 3.39Å; T20-I86 HydrophobicContact CG2-CG2 4.24Å; T20-I87 HydrophobicContact CG2-CG1 3.85Å; T20-S90 WeakPolarHBondContact CA-OG 3.33Å | ||
| 21 | E | 93.5 | Very high | 94.4 | Very high | 123 Ų | 123 | 68.8 Ų | 68.8 | 58% | 0.575 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -92.9 | 25 | 175.1 | -58.9 | -65.4 | 153.7 | 0 | 0 | 111.5 | S90 R94 | E21-S90 PolarHBondContact N-OG 3.15Å; E21-R94 HydrophobicContact CB-CB 3.82Å; E21-R94 HydrophobicContact CB-CG 4.48Å; E21-R94 HydrophobicContact CG-CB 4.23Å; E21-R94 WeakPolarHBondContact O-CD 3.44Å; E21-R94 PolarHBondContact O-NH1 3.24Å |
| 22 | F | 94.4 | Very high | 94.5 | Very high | 12 Ų | 12 | 68.3 Ų | 68.3 | 5% | 0.053 | 32% | 0.321 | C | S | . | . | trans | -102.7 | 141.2 | 178.9 | -68.8 | -70.7 | 0 | 0 | 0 | 111.5 | T20 E26 L27 W30 I86 L89 R94 | T20-F22 VanDerWaalsContact C-N 3.25Å; T20-F22 PolarHBondContact O-N 3.43Å; T20-F22 PolarHBondContact OG1-N 3.39Å; F22-E26 HydrophobicContact CB-CB 4.22Å; F22-E26 HydrophobicContact CD1-CB 4.07Å; F22-L27 HydrophobicContact CB-CD2 3.73Å; F22-L27 HydrophobicContact CB-CG 3.85Å; F22-L27 HydrophobicContact CD2-CD2 4.46Å; F22-L27 HydrophobicContact CG-CD2 4.44Å; F22-W30 AromaticContact CE1-NE1 3.6Å; F22-I86 HydrophobicContact CD2-CD1 3.68Å; F22-I86 HydrophobicContact CD2-CG1 3.78Å; F22-I86 HydrophobicContact CE2-CD1 3.49Å; F22-I86 VanDerWaalsContact CE2-CD1 3.49Å; F22-I86 HydrophobicContact CE2-CG1 3.96Å; F22-I86 HydrophobicContact CG-CD1 4.43Å; F22-I86 HydrophobicContact CZ-CD1 4.12Å; F22-L89 HydrophobicContact CE2-CG 4.43Å; F22-L89 HydrophobicContact CZ-CD2 4.08Å; F22-L89 HydrophobicContact CZ-CG 4.1Å; F22-R94 VanDerWaalsContact CD1-NH1 3.26Å; F22-R94 VanDerWaalsContact CE1-NE 3.35Å | ||
| 23 | T | 94.9 | Very high | 94.4 | Very high | 78 Ų | 78 | 67.6 Ų | 67.6 | 48% | 0.479 | 32% | 0.323 | S | S | . | . | trans | -73.9 | 160.7 | 173.1 | 62.1 | 0 | 0 | 0 | 0 | 111.6 | H25 E26 L27 | T23-H25 PolarHBondContact O-N 3.42Å; T23-E26 PolarHBondContact N-OE2 3.2Å; T23-E26 PolarHBondContact O-N 3.06Å; T23-E26 VanDerWaalsContact OG1-CG 3.24Å; T23-E26 WeakPolarHBondContact OG1-CG 3.29Å; T23-E26 PolarHBondContact OG1-N 2.95Å; T23-E26 PolarHBondContact OG1-OE2 2.93Å; T23-L27 WeakPolarHBondContact O-CG 2.92Å; T23-L27 PolarHBondContact O-N 2.66Å | ||
| 24 | D | 94.5 | Very high | 94.4 | Very high | 59 Ų | 59 | 67 Ų | 67 | 32% | 0.316 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -52.9 | -39.5 | 175.9 | -75.6 | -21.7 | 0 | 0 | 0 | 113 | L13 R17 Q28 | L13-D24 HydrophobicContact CD2-CB 4.1Å; L13-D24 WeakPolarHBondContact CD2-OD1 3.42Å; L13-D24 VanDerWaalsContact CG-OD1 3.29Å; L13-D24 WeakPolarHBondContact CG-OD1 3.26Å; R17-D24 WeakPolarHBondContact CD-OD1 3.23Å; R17-D24 VanDerWaalsContact CG-OD1 3.28Å; R17-D24 WeakPolarHBondContact CG-OD1 3.43Å; R17-D24 IonicContact CZ-OD1 3.59Å; R17-D24 IonicContact CZ-OD2 3.64Å; R17-D24 IonicContact NE-OD1 2.89Å; R17-D24 PolarHBondContact NE-OD1 3.2Å; R17-D24 IonicContact NE-OD2 2.66Å; R17-D24 IonicContact NH1-OD1 3.48Å; R17-D24 PolarHBondContact NH1-OD1 2.91Å; R17-D24 IonicContact NH1-OD2 2.79Å; R17-D24 PolarHBondContact NH1-OD2 3.29Å; D24-Q28 VanDerWaalsContact O-CG 3.23Å; D24-Q28 WeakPolarHBondContact O-CG 3.23Å; D24-Q28 PolarHBondContact O-N 2.86Å; D24-Q28 VanDerWaalsContact O-N 3.15Å |
| 25 | H | 94.2 | Very high | 94.3 | Very high | 136 Ų | 136 | 63.3 Ų | 63.3 | 63% | 0.63 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65.6 | -46.3 | 177.4 | 178.4 | -82.9 | 0 | 0 | 0 | 111.6 | T23 Q28 E29 | T23-H25 PolarHBondContact O-N 3.42Å; H25-Q28 PolarHBondContact O-N 2.82Å; H25-E29 PolarHBondContact O-N 3.15Å; H25-E29 VanDerWaalsContact O-N 3.08Å |
| 26 | E | 95.6 | Very high | 94 | Very high | 54 Ų | 54 | 69.2 Ų | 69.2 | 25% | 0.252 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 177.9 | -69.6 | 170.5 | 129.6 | 0 | 0 | 111.8 | F22 T23 Q28 E29 W30 R94 | F22-E26 HydrophobicContact CB-CB 4.22Å; F22-E26 HydrophobicContact CD1-CB 4.07Å; T23-E26 PolarHBondContact N-OE2 3.2Å; T23-E26 PolarHBondContact O-N 3.06Å; T23-E26 VanDerWaalsContact OG1-CG 3.24Å; T23-E26 WeakPolarHBondContact OG1-CG 3.29Å; T23-E26 PolarHBondContact OG1-N 2.95Å; T23-E26 PolarHBondContact OG1-OE2 2.93Å; E26-Q28 VanDerWaalsContact C-N 3.31Å; E26-Q28 PolarHBondContact O-N 3.44Å; E26-E29 PolarHBondContact O-N 3.41Å; E26-W30 WeakPolarHBondContact O-CB 3.38Å; E26-W30 VanDerWaalsContact O-CD1 3.22Å; E26-W30 PolarHBondContact O-N 3.35Å; E26-R94 IonicContact OE1-CZ 3.2Å; E26-R94 IonicContact OE1-NH1 3.82Å; E26-R94 PolarHBondContact OE1-NH1 3.13Å; E26-R94 IonicContact OE1-NH2 2.94Å; E26-R94 PolarHBondContact OE1-NH2 3.43Å; E26-R94 IonicContact OE2-CZ 3.97Å; E26-R94 IonicContact OE2-NH1 2.76Å; E26-R94 PolarHBondContact OE2-NH1 3.01Å; E26-R94 IonicContact OE2-NH2 3.4Å |
| 27 | L | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 176.9 | -70.5 | 172.5 | 0 | 0 | 0 | 111.7 | L8 L13 L16 R17 F22 T23 Y31 I86 | L8-L27 HydrophobicContact CD1-CB 4.05Å; L13-L27 HydrophobicContact CD1-CB 3.82Å; L13-L27 HydrophobicContact CD1-CD1 3.8Å; L13-L27 HydrophobicContact CD1-CG 4.48Å; L16-L27 HydrophobicContact CB-CD1 3.8Å; L16-L27 HydrophobicContact CB-CD2 4.05Å; L16-L27 HydrophobicContact CD1-CD2 4.29Å; R17-L27 HydrophobicContact CG-CD1 3.98Å; F22-L27 HydrophobicContact CB-CD2 3.73Å; F22-L27 HydrophobicContact CB-CG 3.85Å; F22-L27 HydrophobicContact CD2-CD2 4.46Å; F22-L27 HydrophobicContact CG-CD2 4.44Å; T23-L27 WeakPolarHBondContact O-CG 2.92Å; T23-L27 PolarHBondContact O-N 2.66Å; L27-Y31 VanDerWaalsContact O-CB 3.26Å; L27-Y31 WeakPolarHBondContact O-CB 3.24Å; L27-Y31 PolarHBondContact O-N 2.9Å; L27-I86 HydrophobicContact CD2-CG1 3.74Å |
| 28 | Q | 93.6 | Very high | 93.3 | Very high | 45 Ų | 45 | 69.9 Ų | 69.9 | 21% | 0.21 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.4 | -41 | 177.2 | -66.6 | -73.9 | -10.4 | 0 | 0 | 112.2 | L8 D24 H25 E26 Y31 K32 | L8-Q28 VanDerWaalsContact N-OE1 3.12Å; D24-Q28 VanDerWaalsContact O-CG 3.23Å; D24-Q28 WeakPolarHBondContact O-CG 3.23Å; D24-Q28 PolarHBondContact O-N 2.86Å; D24-Q28 VanDerWaalsContact O-N 3.15Å; H25-Q28 PolarHBondContact O-N 2.82Å; E26-Q28 VanDerWaalsContact C-N 3.31Å; E26-Q28 PolarHBondContact O-N 3.44Å; Q28-Y31 PolarHBondContact O-N 3.48Å; Q28-K32 WeakPolarHBondContact O-CB 3.3Å; Q28-K32 PolarHBondContact O-N 2.97Å |
| 29 | E | 94.6 | Very high | 93.1 | Very high | 100 Ų | 100 | 67.1 Ų | 67.1 | 47% | 0.467 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.6 | -42.9 | 177.3 | -73.1 | -60.2 | 117.2 | 0 | 0 | 111.8 | H25 E26 Y31 K32 G33 | H25-E29 PolarHBondContact O-N 3.15Å; H25-E29 VanDerWaalsContact O-N 3.08Å; E26-E29 PolarHBondContact O-N 3.41Å; E29-Y31 VanDerWaalsContact C-N 3.35Å; E29-Y31 PolarHBondContact O-N 3.45Å; E29-K32 PolarHBondContact O-N 3.41Å; E29-G33 PolarHBondContact O-N 2.76Å |
| 30 | W | 94.6 | Very high | 93 | Very high | 103 Ų | 103 | 68 Ų | 68 | 39% | 0.39 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 172.7 | -84.7 | 115.7 | 0 | 0 | 0 | 111.8 | F22 E26 K32 G33 F34 F82 F85 I86 L89 | F22-W30 AromaticContact CE1-NE1 3.6Å; E26-W30 WeakPolarHBondContact O-CB 3.38Å; E26-W30 VanDerWaalsContact O-CD1 3.22Å; E26-W30 PolarHBondContact O-N 3.35Å; W30-K32 VanDerWaalsContact C-N 3.34Å; W30-K32 PolarHBondContact O-N 2.77Å; W30-G33 PolarHBondContact O-N 3.36Å; W30-F34 VanDerWaalsContact O-CB 3.28Å; W30-F34 WeakPolarHBondContact O-CB 3.41Å; W30-F34 PolarHBondContact O-N 2.98Å; W30-F82 HydrophobicContact CB-CE2 3.96Å; W30-F82 HydrophobicContact CB-CZ 3.95Å; W30-F85 AromaticContact CE3-CE1 3.85Å; W30-F85 HydrophobicContact CE3-CE1 3.85Å; W30-F85 HydrophobicContact CE3-CZ 4.25Å; W30-F85 HydrophobicContact CZ3-CE1 4.1Å; W30-F85 HydrophobicContact CZ3-CZ 4.01Å; W30-I86 HydrophobicContact CB-CD1 3.91Å; W30-I86 HydrophobicContact CD2-CD1 4.24Å; W30-I86 HydrophobicContact CG-CD1 3.71Å; W30-L89 HydrophobicContact CD2-CD2 4.17Å; W30-L89 HydrophobicContact CE3-CD2 4.28Å; W30-L89 HydrophobicContact CH2-CD2 3.7Å; W30-L89 HydrophobicContact CZ2-CD2 3.56Å; W30-L89 HydrophobicContact CZ3-CD2 4.06Å |
| 31 | Y | 94.6 | Very high | 92.9 | Very high | 49 Ų | 49 | 68.4 Ų | 68.4 | 19% | 0.192 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 178.7 | -175 | -122.6 | 0 | 0 | 0 | 112.1 | L8 L27 Q28 E29 F34 L35 F82 | L8-Y31 HydrophobicContact CD1-CG 4.27Å; L8-Y31 HydrophobicContact CD2-CD1 3.78Å; L8-Y31 HydrophobicContact CD2-CD2 3.58Å; L8-Y31 HydrophobicContact CD2-CE1 3.96Å; L8-Y31 HydrophobicContact CD2-CE2 3.77Å; L8-Y31 HydrophobicContact CD2-CG 3.56Å; L8-Y31 HydrophobicContact CG-CD1 3.65Å; L8-Y31 HydrophobicContact CG-CD2 4.21Å; L8-Y31 HydrophobicContact CG-CE1 4.17Å; L8-Y31 HydrophobicContact CG-CG 3.66Å; L27-Y31 VanDerWaalsContact O-CB 3.26Å; L27-Y31 WeakPolarHBondContact O-CB 3.24Å; L27-Y31 PolarHBondContact O-N 2.9Å; Q28-Y31 PolarHBondContact O-N 3.48Å; E29-Y31 VanDerWaalsContact C-N 3.35Å; E29-Y31 PolarHBondContact O-N 3.45Å; Y31-F34 PolarHBondContact O-N 3.36Å; Y31-L35 HydrophobicContact CD1-CD1 4.18Å; Y31-L35 HydrophobicContact CD2-CG 4.43Å; Y31-L35 HydrophobicContact CE1-CD1 3.63Å; Y31-L35 HydrophobicContact CE1-CG 4.44Å; Y31-L35 HydrophobicContact CE2-CD1 4.11Å; Y31-L35 HydrophobicContact CE2-CD2 4.36Å; Y31-L35 HydrophobicContact CE2-CG 4.09Å; Y31-L35 WeakPolarHBondContact O-CG 3.46Å; Y31-L35 PolarHBondContact O-N 2.92Å; Y31-F82 VanDerWaalsContact CA-CE2 3.4Å; Y31-F82 VanDerWaalsContact CA-CZ 3.46Å; Y31-F82 HydrophobicContact CD2-CB 4.12Å; Y31-F82 AromaticContact CD2-CD1 3.46Å; Y31-F82 HydrophobicContact CD2-CD1 3.46Å; Y31-F82 VanDerWaalsContact CD2-CD1 3.46Å; Y31-F82 AromaticContact CD2-CD2 3.94Å; Y31-F82 HydrophobicContact CD2-CD2 3.94Å; Y31-F82 AromaticContact CD2-CE1 3.78Å; Y31-F82 HydrophobicContact CD2-CE1 3.78Å; Y31-F82 HydrophobicContact CD2-CE2 4.23Å; Y31-F82 AromaticContact CD2-CG 3.54Å; Y31-F82 HydrophobicContact CD2-CG 3.54Å; Y31-F82 HydrophobicContact CD2-CZ 4.16Å; Y31-F82 HydrophobicContact CE2-CB 4.23Å; Y31-F82 HydrophobicContact CE2-CD1 4.13Å; Y31-F82 HydrophobicContact CE2-CG 4.13Å; Y31-F82 HydrophobicContact CG-CD1 4.3Å; Y31-F82 HydrophobicContact CG-CE1 4.18Å; Y31-F82 HydrophobicContact CG-CZ 4.38Å; Y31-F82 VanDerWaalsContact N-CZ 3.34Å |
| 32 | K | 92.7 | Very high | 92.9 | Very high | 121 Ų | 121 | 66.4 Ų | 66.4 | 53% | 0.526 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 176.3 | -178 | -176.7 | 172.8 | -166.7 | 0 | 112 | Q28 E29 W30 K36 | Q28-K32 WeakPolarHBondContact O-CB 3.3Å; Q28-K32 PolarHBondContact O-N 2.97Å; E29-K32 PolarHBondContact O-N 3.41Å; W30-K32 VanDerWaalsContact C-N 3.34Å; W30-K32 PolarHBondContact O-N 2.77Å; K32-K36 WeakPolarHBondContact O-CB 3.36Å; K32-K36 PolarHBondContact O-N 3.12Å; K32-K36 VanDerWaalsContact O-N 3.16Å |
| 33 | G | 92 | Very high | 92.9 | Very high | 28 Ų | 28 | 66.1 Ų | 66.1 | 29% | 0.289 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63 | -47 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E29 W30 L35 K36 D37 | E29-G33 PolarHBondContact O-N 2.76Å; W30-G33 PolarHBondContact O-N 3.36Å; G33-L35 PolarHBondContact O-N 3.06Å; G33-K36 VanDerWaalsContact O-CB 3.32Å; G33-K36 WeakPolarHBondContact O-CB 3.19Å; G33-K36 PolarHBondContact O-N 3.04Å; G33-D37 PolarHBondContact O-N 2.82Å |
| 34 | F | 92 | Very high | 92.9 | Very high | 12 Ų | 12 | 65.1 Ų | 65.1 | 5% | 0.053 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.3 | -46 | 179.2 | -172.2 | -90.1 | 0 | 0 | 0 | 112.1 | W30 Y31 K36 D37 C38 G41 L43 F82 F85 | W30-F34 VanDerWaalsContact O-CB 3.28Å; W30-F34 WeakPolarHBondContact O-CB 3.41Å; W30-F34 PolarHBondContact O-N 2.98Å; Y31-F34 PolarHBondContact O-N 3.36Å; F34-K36 VanDerWaalsContact C-N 3.28Å; F34-K36 PolarHBondContact O-N 2.87Å; F34-D37 PolarHBondContact O-N 2.95Å; F34-C38 HydrophobicContact CD1-CB 4.46Å; F34-C38 HydrophobicContact CE1-CB 4.19Å; F34-C38 HydrophobicContact CZ-CB 4.42Å; F34-C38 WeakPolarHBondContact O-CA 3.5Å; F34-C38 WeakPolarHBondContact O-CB 3.4Å; F34-C38 PolarHBondContact O-N 3.42Å; F34-G41 WeakPolarHBondContact CE1-O 3.45Å; F34-L43 HydrophobicContact CE2-CB 4.45Å; F34-L43 HydrophobicContact CZ-CB 4.31Å; F34-F82 HydrophobicContact CB-CD2 3.65Å; F34-F82 HydrophobicContact CB-CE2 4.01Å; F34-F82 HydrophobicContact CD1-CB 4.02Å; F34-F82 AromaticContact CD1-CD2 3.98Å; F34-F82 HydrophobicContact CD1-CD2 3.98Å; F34-F82 HydrophobicContact CD1-CG 4.45Å; F34-F82 HydrophobicContact CD2-CD2 4.07Å; F34-F82 HydrophobicContact CE1-CB 4.07Å; F34-F82 HydrophobicContact CG-CB 4.48Å; F34-F82 AromaticContact CG-CD2 3.64Å; F34-F82 HydrophobicContact CG-CD2 3.64Å; F34-F82 HydrophobicContact CG-CE2 4.43Å; F34-F85 HydrophobicContact CD2-CB 4.37Å; F34-F85 AromaticContact CD2-CD1 3.82Å; F34-F85 HydrophobicContact CD2-CD1 3.82Å; F34-F85 HydrophobicContact CD2-CE1 4.29Å; F34-F85 HydrophobicContact CD2-CG 4.03Å; F34-F85 HydrophobicContact CE2-CB 3.89Å; F34-F85 HydrophobicContact CE2-CD1 4.18Å; F34-F85 HydrophobicContact CE2-CD2 4.46Å; F34-F85 AromaticContact CE2-CG 3.92Å; F34-F85 HydrophobicContact CE2-CG 3.92Å |
| 35 | L | 92.4 | Very high | 92.9 | Very high | 24 Ų | 24 | 64 Ų | 64 | 13% | 0.126 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.8 | -24.6 | 176.1 | -70.8 | -177.7 | 0 | 0 | 0 | 113.7 | Y31 G33 C38 P39 | Y31-L35 HydrophobicContact CD1-CD1 4.18Å; Y31-L35 HydrophobicContact CD2-CG 4.43Å; Y31-L35 HydrophobicContact CE1-CD1 3.63Å; Y31-L35 HydrophobicContact CE1-CG 4.44Å; Y31-L35 HydrophobicContact CE2-CD1 4.11Å; Y31-L35 HydrophobicContact CE2-CD2 4.36Å; Y31-L35 HydrophobicContact CE2-CG 4.09Å; Y31-L35 WeakPolarHBondContact O-CG 3.46Å; Y31-L35 PolarHBondContact O-N 2.92Å; G33-L35 PolarHBondContact O-N 3.06Å; L35-C38 CarbonylContact O-C 3.5Å; L35-P39 WeakPolarHBondContact O-CA 3.46Å |
| 36 | K | 89.9 | Confident | 92.9 | Very high | 169 Ų | 169 | 62.9 Ų | 62.9 | 74% | 0.735 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -70.2 | -41.7 | 174.8 | -177.3 | -169.8 | 172.5 | -163.5 | 0 | 110.7 | K32 G33 F34 | K32-K36 WeakPolarHBondContact O-CB 3.36Å; K32-K36 PolarHBondContact O-N 3.12Å; K32-K36 VanDerWaalsContact O-N 3.16Å; G33-K36 VanDerWaalsContact O-CB 3.32Å; G33-K36 WeakPolarHBondContact O-CB 3.19Å; G33-K36 PolarHBondContact O-N 3.04Å; F34-K36 VanDerWaalsContact C-N 3.28Å; F34-K36 PolarHBondContact O-N 2.87Å |
| 37 | D | 86.2 | Confident | 92.7 | Very high | 122 Ų | 122 | 63.4 Ų | 63.4 | 65% | 0.652 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -87.3 | -30 | -177 | -62.3 | -22.1 | 0 | 0 | 0 | 112.1 | G33 F34 | G33-D37 PolarHBondContact O-N 2.82Å; F34-D37 PolarHBondContact O-N 2.95Å |
| 38 | C | 89.6 | Confident | 92.5 | Very high | 8 Ų | 8 | 63.9 Ų | 63.9 | 5% | 0.054 | 33% | 0.325 | C | S | . | . | trans | -124.6 | 78 | 177.2 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | F34 L35 T40 G41 L43 | F34-C38 HydrophobicContact CD1-CB 4.46Å; F34-C38 HydrophobicContact CE1-CB 4.19Å; F34-C38 HydrophobicContact CZ-CB 4.42Å; F34-C38 WeakPolarHBondContact O-CA 3.5Å; F34-C38 WeakPolarHBondContact O-CB 3.4Å; F34-C38 PolarHBondContact O-N 3.42Å; L35-C38 CarbonylContact O-C 3.5Å; C38-T40 PolarHBondContact O-N 3.48Å; C38-G41 PolarHBondContact O-N 2.86Å; C38-L43 VanDerWaalsContact SG-CD1 3.55Å | ||
| 39 | P | 90.3 | Very high | 92.4 | Very high | 77 Ų | 77 | 63.3 Ų | 63.3 | 50% | 0.5 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -18.5 | -176.2 | -25.3 | 35.5 | 0 | 0 | 0 | 115.2 | Q4 L35 G41 | Q4-P39 PolarHBondContact NE2-O 3.37Å; L35-P39 WeakPolarHBondContact O-CA 3.46Å; P39-G41 VanDerWaalsContact C-N 3.26Å |
| 40 | T | 91.8 | Very high | 92.2 | Very high | 98 Ų | 98 | 64.9 Ų | 64.9 | 60% | 0.601 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -13.8 | 174 | 51.3 | 0 | 0 | 0 | 0 | 113 | C38 H42 | C38-T40 PolarHBondContact O-N 3.48Å; T40-H42 VanDerWaalsContact C-N 3.26Å; T40-H42 PolarHBondContact O-ND1 2.64Å; T40-H42 PolarHBondContact OG1-O 2.81Å |
| 41 | G | 92.5 | Very high | 91.9 | Very high | 18 Ų | 18 | 63.3 Ų | 63.3 | 19% | 0.186 | 33% | 0.326 | C | S | . | . | S | Bend | trans | 78.3 | 6.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | F34 C38 P39 | F34-G41 WeakPolarHBondContact CE1-O 3.45Å; C38-G41 PolarHBondContact O-N 2.86Å; P39-G41 VanDerWaalsContact C-N 3.26Å |
| 42 | H | 93.9 | Very high | 91.4 | Very high | 81 Ų | 81 | 63.3 Ų | 63.3 | 38% | 0.375 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 142.8 | -179.2 | -54.7 | 81.1 | 0 | 0 | 0 | 109.4 | T40 T79 I80 | T40-H42 VanDerWaalsContact C-N 3.26Å; T40-H42 PolarHBondContact O-ND1 2.64Å; T40-H42 PolarHBondContact OG1-O 2.81Å; H42-T79 HydrophobicContact CB-CG2 4.42Å; H42-I80 WeakPolarHBondContact CA-O 3.34Å |
| 43 | L | 94.1 | Very high | 91.2 | Very high | 7 Ų | 7 | 59.9 Ų | 59.9 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 120.5 | 177.3 | -178.6 | 65.2 | 0 | 0 | 0 | 109.3 | F34 C38 E47 F48 I51 F69 I80 | F34-L43 HydrophobicContact CE2-CB 4.45Å; F34-L43 HydrophobicContact CZ-CB 4.31Å; C38-L43 VanDerWaalsContact SG-CD1 3.55Å; L43-E47 HydrophobicContact CD1-CB 3.38Å; L43-E47 HydrophobicContact CG-CB 4.45Å; L43-F48 HydrophobicContact CD2-CB 4.43Å; L43-F48 HydrophobicContact CD2-CD2 3.61Å; L43-F48 HydrophobicContact CD2-CE2 4.42Å; L43-F48 HydrophobicContact CG-CB 4.38Å; L43-F48 HydrophobicContact CG-CD2 4.4Å; L43-I51 HydrophobicContact CD1-CD1 4.2Å; L43-I51 HydrophobicContact CD2-CD1 4.07Å; L43-F69 WeakPolarHBondContact O-CE2 3.32Å; L43-I80 HydrophobicContact CB-CB 4.3Å; L43-I80 PolarHBondContact N-O 3.49Å; L43-I80 PolarHBondContact O-N 2.85Å |
| 44 | T | 95.1 | Very high | 90.9 | Very high | 56 Ų | 56 | 64.9 Ų | 64.9 | 34% | 0.344 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 160.4 | 177.6 | 62.4 | 0 | 0 | 0 | 0 | 111.5 | E46 E47 F48 | T44-E46 PolarHBondContact O-N 3.47Å; T44-E47 WeakPolarHBondContact CB-OE2 3.39Å; T44-E47 WeakPolarHBondContact CG2-OE2 3.48Å; T44-E47 PolarHBondContact N-OE2 2.9Å; T44-E47 PolarHBondContact O-N 3.44Å; T44-E47 VanDerWaalsContact O-N 3.12Å; T44-E47 VanDerWaalsContact OG1-CD 3.22Å; T44-E47 VanDerWaalsContact OG1-CG 3.3Å; T44-E47 WeakPolarHBondContact OG1-CG 3.29Å; T44-E47 PolarHBondContact OG1-N 2.93Å; T44-E47 PolarHBondContact OG1-OE2 2.96Å; T44-F48 WeakPolarHBondContact O-CB 3.39Å; T44-F48 PolarHBondContact O-N 3.03Å |
| 45 | V | 94.7 | Very high | 90.3 | Very high | 37 Ų | 37 | 71.7 Ų | 71.7 | 22% | 0.224 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -52.8 | -41.8 | 174.4 | 177.8 | 0 | 0 | 0 | 0 | 111.7 | F48 K49 E66 F69 | V45-F48 PolarHBondContact O-N 2.89Å; V45-K49 HydrophobicContact CG1-CD 4.2Å; V45-K49 HydrophobicContact CG1-CG 4.45Å; V45-K49 WeakPolarHBondContact O-CG 3.36Å; V45-K49 PolarHBondContact O-N 3.05Å; V45-E66 HydrophobicContact CG1-CG 4.11Å; V45-F69 HydrophobicContact CB-CD2 4.33Å; V45-F69 HydrophobicContact CB-CE2 4.3Å; V45-F69 HydrophobicContact CB-CZ 4.46Å; V45-F69 HydrophobicContact CG2-CD1 3.55Å; V45-F69 HydrophobicContact CG2-CD2 3.91Å; V45-F69 HydrophobicContact CG2-CE1 3.43Å; V45-F69 VanDerWaalsContact CG2-CE1 3.43Å; V45-F69 HydrophobicContact CG2-CE2 3.79Å; V45-F69 HydrophobicContact CG2-CG 3.79Å; V45-F69 HydrophobicContact CG2-CZ 3.54Å; V45-F69 VanDerWaalsContact N-CE2 3.33Å |
| 46 | E | 93.7 | Very high | 89.7 | Confident | 111 Ų | 111 | 73.2 Ų | 73.2 | 52% | 0.519 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -69.8 | -33.9 | -178.2 | -65.3 | -56.6 | 120 | 0 | 0 | 112.7 | T44 K49 K50 | T44-E46 PolarHBondContact O-N 3.47Å; E46-K49 IonicContact OE1-NZ 3.22Å; E46-K49 PolarHBondContact OE1-NZ 2.85Å; E46-K50 WeakPolarHBondContact O-CG 3.4Å; E46-K50 PolarHBondContact O-N 2.97Å |
| 47 | E | 92.4 | Very high | 89.2 | Confident | 65 Ų | 65 | 69.3 Ų | 69.3 | 30% | 0.304 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -71.4 | -40.6 | 171.7 | -69.5 | 160.9 | 148.9 | 0 | 0 | 111.1 | L43 T44 K49 K50 I51 | L43-E47 HydrophobicContact CD1-CB 3.38Å; L43-E47 HydrophobicContact CG-CB 4.45Å; T44-E47 WeakPolarHBondContact CB-OE2 3.39Å; T44-E47 WeakPolarHBondContact CG2-OE2 3.48Å; T44-E47 PolarHBondContact N-OE2 2.9Å; T44-E47 PolarHBondContact O-N 3.44Å; T44-E47 VanDerWaalsContact O-N 3.12Å; T44-E47 VanDerWaalsContact OG1-CD 3.22Å; T44-E47 VanDerWaalsContact OG1-CG 3.3Å; T44-E47 WeakPolarHBondContact OG1-CG 3.29Å; T44-E47 PolarHBondContact OG1-N 2.93Å; T44-E47 PolarHBondContact OG1-OE2 2.96Å; E47-K49 PolarHBondContact O-N 3.17Å; E47-K50 WeakPolarHBondContact O-CB 3.36Å; E47-K50 PolarHBondContact O-N 3.14Å; E47-K50 VanDerWaalsContact O-N 3.15Å; E47-I51 PolarHBondContact O-N 3.41Å |
| 48 | F | 91.8 | Very high | 89 | Confident | 11 Ų | 11 | 72.4 Ų | 72.4 | 5% | 0.048 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 176.2 | -165.2 | -99.3 | 0 | 0 | 0 | 112.2 | L43 T44 V45 K50 I51 Y52 A65 V68 F69 I80 | L43-F48 HydrophobicContact CD2-CB 4.43Å; L43-F48 HydrophobicContact CD2-CD2 3.61Å; L43-F48 HydrophobicContact CD2-CE2 4.42Å; L43-F48 HydrophobicContact CG-CB 4.38Å; L43-F48 HydrophobicContact CG-CD2 4.4Å; T44-F48 WeakPolarHBondContact O-CB 3.39Å; T44-F48 PolarHBondContact O-N 3.03Å; V45-F48 PolarHBondContact O-N 2.89Å; F48-K50 VanDerWaalsContact C-N 3.31Å; F48-K50 PolarHBondContact O-N 3.34Å; F48-I51 WeakPolarHBondContact O-CB 3.38Å; F48-I51 PolarHBondContact O-N 2.89Å; F48-I51 VanDerWaalsContact O-N 3.14Å; F48-Y52 HydrophobicContact CD1-CD2 4.05Å; F48-Y52 HydrophobicContact CD1-CE2 4.08Å; F48-Y52 AromaticContact CE1-CD2 3.72Å; F48-Y52 HydrophobicContact CE1-CD2 3.72Å; F48-Y52 AromaticContact CE1-CE2 3.29Å; F48-Y52 HydrophobicContact CE1-CE2 3.29Å; F48-Y52 HydrophobicContact CE2-CE2 4.41Å; F48-Y52 HydrophobicContact CZ-CD2 4.22Å; F48-Y52 AromaticContact CZ-CE2 3.49Å; F48-Y52 HydrophobicContact CZ-CE2 3.49Å; F48-Y52 VanDerWaalsContact CZ-CE2 3.49Å; F48-Y52 PolarHBondContact O-N 3.04Å; F48-A65 HydrophobicContact CD1-CB 4.04Å; F48-A65 WeakPolarHBondContact CD1-O 3.13Å; F48-A65 HydrophobicContact CE1-CB 4.32Å; F48-A65 WeakPolarHBondContact CE1-O 3.21Å; F48-V68 HydrophobicContact CE1-CB 3.99Å; F48-V68 HydrophobicContact CE1-CG1 3.86Å; F48-V68 HydrophobicContact CZ-CB 4.31Å; F48-V68 HydrophobicContact CZ-CG1 3.65Å; F48-F69 HydrophobicContact CB-CD2 3.74Å; F48-F69 HydrophobicContact CB-CE2 4.27Å; F48-F69 HydrophobicContact CD1-CB 4.08Å; F48-F69 HydrophobicContact CD1-CD2 4.16Å; F48-F69 HydrophobicContact CD2-CD2 4.35Å; F48-F69 HydrophobicContact CE1-CB 4.35Å; F48-F69 AromaticContact CG-CD2 3.85Å; F48-F69 HydrophobicContact CG-CD2 3.85Å; F48-I80 HydrophobicContact CD2-CD1 4.12Å; F48-I80 HydrophobicContact CE2-CD1 4.24Å |
| 49 | K | 92.3 | Very high | 88.5 | Confident | 32 Ų | 32 | 73.2 Ų | 73.2 | 14% | 0.139 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.6 | -40.1 | 173 | -76.3 | 171.4 | 178.9 | 170.8 | 0 | 112.5 | V45 E46 E47 I51 Y52 A53 S62 A65 E66 | V45-K49 HydrophobicContact CG1-CD 4.2Å; V45-K49 HydrophobicContact CG1-CG 4.45Å; V45-K49 WeakPolarHBondContact O-CG 3.36Å; V45-K49 PolarHBondContact O-N 3.05Å; E46-K49 IonicContact OE1-NZ 3.22Å; E46-K49 PolarHBondContact OE1-NZ 2.85Å; E47-K49 PolarHBondContact O-N 3.17Å; K49-I51 VanDerWaalsContact C-N 3.29Å; K49-I51 PolarHBondContact O-N 3.47Å; K49-Y52 PolarHBondContact O-N 2.85Å; K49-A53 WeakPolarHBondContact O-CB 3.39Å; K49-A53 PolarHBondContact O-N 3.38Å; K49-S62 WeakPolarHBondContact CD-OG 3.42Å; K49-S62 VanDerWaalsContact CE-OG 3.29Å; K49-S62 WeakPolarHBondContact CE-OG 3.48Å; K49-A65 HydrophobicContact CG-CB 4Å; K49-E66 WeakPolarHBondContact CE-OE1 3.28Å; K49-E66 IonicContact NZ-OE1 2.71Å; K49-E66 PolarHBondContact NZ-OE1 3.47Å |
| 50 | K | 90.5 | Very high | 88.5 | Confident | 134 Ų | 134 | 73 Ų | 73 | 58% | 0.583 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62.5 | -37.3 | 176.5 | -70.6 | 168.3 | -170.3 | 169.5 | 0 | 111.8 | E46 E47 F48 A53 N54 | E46-K50 WeakPolarHBondContact O-CG 3.4Å; E46-K50 PolarHBondContact O-N 2.97Å; E47-K50 WeakPolarHBondContact O-CB 3.36Å; E47-K50 PolarHBondContact O-N 3.14Å; E47-K50 VanDerWaalsContact O-N 3.15Å; F48-K50 VanDerWaalsContact C-N 3.31Å; F48-K50 PolarHBondContact O-N 3.34Å; K50-A53 PolarHBondContact O-N 2.87Å; K50-N54 PolarHBondContact O-N 3.15Å; K50-N54 PolarHBondContact O-ND2 2.93Å |
| 51 | I | 86.9 | Confident | 88.3 | Confident | 70 Ų | 70 | 68.6 Ų | 68.6 | 36% | 0.359 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.1 | -50.5 | 174.4 | -62 | 170.3 | 0 | 0 | 0 | 109.5 | L43 E47 F48 K49 A53 N54 F55 | L43-I51 HydrophobicContact CD1-CD1 4.2Å; L43-I51 HydrophobicContact CD2-CD1 4.07Å; E47-I51 PolarHBondContact O-N 3.41Å; F48-I51 WeakPolarHBondContact O-CB 3.38Å; F48-I51 PolarHBondContact O-N 2.89Å; F48-I51 VanDerWaalsContact O-N 3.14Å; K49-I51 VanDerWaalsContact C-N 3.29Å; K49-I51 PolarHBondContact O-N 3.47Å; I51-A53 PolarHBondContact O-N 3.03Å; I51-N54 WeakPolarHBondContact O-CB 3.24Å; I51-N54 PolarHBondContact O-N 2.87Å; I51-F55 HydrophobicContact CG2-CD2 4.23Å; I51-F55 HydrophobicContact CG2-CE2 3.79Å; I51-F55 WeakPolarHBondContact O-CD2 3.39Å |
| 52 | Y | 84.5 | Confident | 88.3 | Confident | 48 Ų | 48 | 69.7 Ų | 69.7 | 19% | 0.188 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62 | -39.7 | 178.1 | -92.2 | -100.6 | 0 | 0 | 0 | 113.2 | F48 K49 N54 F55 F56 A61 F64 A65 | F48-Y52 HydrophobicContact CD1-CD2 4.05Å; F48-Y52 HydrophobicContact CD1-CE2 4.08Å; F48-Y52 AromaticContact CE1-CD2 3.72Å; F48-Y52 HydrophobicContact CE1-CD2 3.72Å; F48-Y52 AromaticContact CE1-CE2 3.29Å; F48-Y52 HydrophobicContact CE1-CE2 3.29Å; F48-Y52 HydrophobicContact CE2-CE2 4.41Å; F48-Y52 HydrophobicContact CZ-CD2 4.22Å; F48-Y52 AromaticContact CZ-CE2 3.49Å; F48-Y52 HydrophobicContact CZ-CE2 3.49Å; F48-Y52 VanDerWaalsContact CZ-CE2 3.49Å; F48-Y52 PolarHBondContact O-N 3.04Å; K49-Y52 PolarHBondContact O-N 2.85Å; Y52-N54 PolarHBondContact O-N 3.27Å; Y52-F55 PolarHBondContact O-N 3.08Å; Y52-F55 VanDerWaalsContact O-N 3.08Å; Y52-F56 HydrophobicContact CD1-CD2 4.26Å; Y52-F56 HydrophobicContact CD1-CE2 4.21Å; Y52-F56 HydrophobicContact CE1-CE2 4.49Å; Y52-F56 PolarHBondContact O-N 2.99Å; Y52-A61 HydrophobicContact CD1-CB 4.24Å; Y52-F64 HydrophobicContact CD1-CD1 4.21Å; Y52-F64 AromaticContact CE1-CD1 3.65Å; Y52-F64 HydrophobicContact CE1-CD1 3.65Å; Y52-F64 AromaticContact CE1-CE1 3.81Å; Y52-F64 HydrophobicContact CE1-CE1 3.81Å; Y52-A65 HydrophobicContact CD1-CB 4.3Å; Y52-A65 HydrophobicContact CD2-CB 3.92Å; Y52-A65 HydrophobicContact CG-CB 3.78Å |
| 53 | A | 87.8 | Confident | 88.2 | Confident | 50 Ų | 50 | 70 Ų | 70 | 41% | 0.413 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.7 | -31.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K49 K50 I51 F56 P57 | K49-A53 WeakPolarHBondContact O-CB 3.39Å; K49-A53 PolarHBondContact O-N 3.38Å; K50-A53 PolarHBondContact O-N 2.87Å; I51-A53 PolarHBondContact O-N 3.03Å; A53-F56 CarbonylContact O-C 3.46Å; A53-P57 WeakPolarHBondContact O-CA 3.46Å |
| 54 | N | 85.4 | Confident | 88.1 | Confident | 132 Ų | 132 | 71.1 Ų | 71.1 | 71% | 0.706 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -69.2 | -32.5 | 175.5 | -68.2 | -27.4 | 0 | 0 | 0 | 112.7 | K50 I51 Y52 | K50-N54 PolarHBondContact O-N 3.15Å; K50-N54 PolarHBondContact O-ND2 2.93Å; I51-N54 WeakPolarHBondContact O-CB 3.24Å; I51-N54 PolarHBondContact O-N 2.87Å; Y52-N54 PolarHBondContact O-N 3.27Å |
| 55 | F | 80.9 | Confident | 87.9 | Confident | 155 Ų | 155 | 68.4 Ų | 68.4 | 68% | 0.68 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -83.4 | -30.6 | 178.4 | -70.3 | -72.4 | 0 | 0 | 0 | 113 | I51 Y52 P57 | I51-F55 HydrophobicContact CG2-CD2 4.23Å; I51-F55 HydrophobicContact CG2-CE2 3.79Å; I51-F55 WeakPolarHBondContact O-CD2 3.39Å; Y52-F55 PolarHBondContact O-N 3.08Å; Y52-F55 VanDerWaalsContact O-N 3.08Å; F55-P57 VanDerWaalsContact O-CD 3.28Å; F55-P57 WeakPolarHBondContact O-CD 3.29Å |
| 56 | F | 79.5 | Confident | 87.9 | Confident | 57 Ų | 57 | 70.4 Ų | 70.4 | 25% | 0.25 | 35% | 0.35 | C | S | . | . | trans | -120.8 | 60.3 | -179.3 | -60.1 | -82.9 | 0 | 0 | 0 | 111.2 | Y52 A53 Y58 G59 A61 M131 | Y52-F56 HydrophobicContact CD1-CD2 4.26Å; Y52-F56 HydrophobicContact CD1-CE2 4.21Å; Y52-F56 HydrophobicContact CE1-CE2 4.49Å; Y52-F56 PolarHBondContact O-N 2.99Å; A53-F56 CarbonylContact O-C 3.46Å; F56-Y58 PolarHBondContact O-N 3.41Å; F56-G59 PolarHBondContact O-N 2.89Å; F56-G59 VanDerWaalsContact O-N 3.11Å; F56-A61 HydrophobicContact CB-CB 4.11Å; F56-A61 HydrophobicContact CD2-CB 4.27Å; F56-A61 HydrophobicContact CG-CB 4.48Å; F56-M131 HydrophobicContact CB-CG 4.22Å; F56-M131 HydrophobicContact CD1-CG 3.9Å; F56-M131 HydrophobicContact CD1-SD 4.3Å; F56-M131 HydrophobicContact CD2-CG 4.19Å; F56-M131 HydrophobicContact CD2-SD 3.86Å; F56-M131 HydrophobicContact CE1-CE 4.29Å; F56-M131 HydrophobicContact CE1-CG 4.3Å; F56-M131 HydrophobicContact CE1-SD 4.24Å; F56-M131 HydrophobicContact CE2-CE 4.48Å; F56-M131 HydrophobicContact CE2-SD 3.81Å; F56-M131 HydrophobicContact CG-CG 3.84Å; F56-M131 HydrophobicContact CG-SD 4.11Å; F56-M131 HydrophobicContact CZ-CE 4.13Å; F56-M131 HydrophobicContact CZ-SD 4Å | ||
| 57 | P | 79.8 | Confident | 87.8 | Confident | 86 Ų | 86 | 65.9 Ų | 65.9 | 56% | 0.558 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.1 | -171.7 | 26.5 | -35.8 | 0 | 0 | 0 | 113.9 | A53 F55 | A53-P57 WeakPolarHBondContact O-CA 3.46Å; F55-P57 VanDerWaalsContact O-CD 3.28Å; F55-P57 WeakPolarHBondContact O-CD 3.29Å |
| 58 | Y | 80.7 | Confident | 87.8 | Confident | 187 Ų | 187 | 62.9 Ų | 62.9 | 73% | 0.733 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -2 | -178.6 | -56.1 | -68.4 | 0 | 0 | 0 | 113.4 | F56 S134 | F56-Y58 PolarHBondContact O-N 3.41Å; Y58-S134 VanDerWaalsContact C-OG 3.22Å; Y58-S134 WeakPolarHBondContact O-CB 3.37Å; Y58-S134 PolarHBondContact O-OG 2.79Å |
| 59 | G | 81 | Confident | 87.9 | Confident | 26 Ų | 26 | 62.7 Ų | 62.7 | 27% | 0.268 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -120 | 171.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F56 M131 | F56-G59 PolarHBondContact O-N 2.89Å; F56-G59 VanDerWaalsContact O-N 3.11Å; G59-M131 WeakPolarHBondContact CA-O 3.12Å |
| 60 | D | 88.3 | Confident | 88 | Confident | 73 Ų | 73 | 65.3 Ų | 65.3 | 39% | 0.39 | 32% | 0.323 | S | S | . | . | trans | -98.3 | 91.2 | 168.6 | 178.7 | 9.9 | 0 | 0 | 0 | 109.6 | S62 K130 M131 | D60-S62 VanDerWaalsContact C-N 3.28Å; D60-S62 WeakPolarHBondContact OD1-CB 3.25Å; D60-S62 PolarHBondContact OD1-N 3.49Å; D60-K130 HydrophobicContact CB-CB 4.38Å; D60-K130 PolarHBondContact N-O 3Å; D60-K130 CarbonylContact O-C 3.59Å; D60-M131 WeakPolarHBondContact O-CA 3.19Å; D60-M131 PolarHBondContact O-N 2.94Å | ||
| 61 | A | 89.1 | Confident | 88.1 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | trans | -83.5 | -0.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y52 F56 K63 F64 A65 M131 | Y52-A61 HydrophobicContact CD1-CB 4.24Å; F56-A61 HydrophobicContact CB-CB 4.11Å; F56-A61 HydrophobicContact CD2-CB 4.27Å; F56-A61 HydrophobicContact CG-CB 4.48Å; A61-K63 PolarHBondContact O-N 2.8Å; A61-F64 PolarHBondContact O-N 2.93Å; A61-A65 VanDerWaalsContact O-CB 3.27Å; A61-A65 WeakPolarHBondContact O-CB 3.45Å; A61-A65 PolarHBondContact O-N 3.1Å; A61-M131 HydrophobicContact CB-CG 3.81Å; A61-M131 HydrophobicContact CB-SD 3.96Å | ||
| 62 | S | 92.1 | Very high | 88.4 | Confident | 40 Ų | 40 | 57.2 Ų | 57.2 | 28% | 0.28 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.5 | -51.9 | -169.1 | -175.3 | 0 | 0 | 0 | 0 | 112.2 | K49 D60 F64 A65 E66 | K49-S62 WeakPolarHBondContact CD-OG 3.42Å; K49-S62 VanDerWaalsContact CE-OG 3.29Å; K49-S62 WeakPolarHBondContact CE-OG 3.48Å; D60-S62 VanDerWaalsContact C-N 3.28Å; D60-S62 WeakPolarHBondContact OD1-CB 3.25Å; D60-S62 PolarHBondContact OD1-N 3.49Å; S62-F64 PolarHBondContact O-N 3.16Å; S62-A65 WeakPolarHBondContact O-CB 3.41Å; S62-A65 PolarHBondContact O-N 2.88Å; S62-E66 WeakPolarHBondContact O-CG 3.21Å; S62-E66 PolarHBondContact O-N 3.44Å |
| 63 | K | 92.3 | Very high | 88.9 | Confident | 88 Ų | 88 | 55.9 Ų | 55.9 | 38% | 0.383 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 178.4 | -74.7 | -162.1 | 167.8 | -151.8 | 0 | 112.7 | A61 A65 E66 H67 A127 | A61-K63 PolarHBondContact O-N 2.8Å; K63-A65 VanDerWaalsContact C-N 3.31Å; K63-A65 PolarHBondContact O-N 3.28Å; K63-E66 WeakPolarHBondContact O-CB 3.28Å; K63-E66 PolarHBondContact O-N 3.02Å; K63-H67 PolarHBondContact O-CD2 2.86Å; K63-H67 PolarHBondContact O-N 3.02Å; K63-H67 VanDerWaalsContact O-N 3.13Å; K63-A127 HydrophobicContact CB-CB 3.84Å |
| 64 | F | 90.9 | Very high | 89.1 | Confident | 30 Ų | 30 | 58.5 Ų | 58.5 | 13% | 0.132 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 178.5 | -174.7 | -104.2 | 0 | 0 | 0 | 110.8 | Y52 A61 S62 E66 H67 V68 M107 A127 I128 M131 | Y52-F64 HydrophobicContact CD1-CD1 4.21Å; Y52-F64 AromaticContact CE1-CD1 3.65Å; Y52-F64 HydrophobicContact CE1-CD1 3.65Å; Y52-F64 AromaticContact CE1-CE1 3.81Å; Y52-F64 HydrophobicContact CE1-CE1 3.81Å; A61-F64 PolarHBondContact O-N 2.93Å; S62-F64 PolarHBondContact O-N 3.16Å; F64-E66 VanDerWaalsContact C-N 3.33Å; F64-E66 PolarHBondContact O-N 3.15Å; F64-H67 PolarHBondContact O-N 3.36Å; F64-V68 HydrophobicContact CD1-CG2 4.08Å; F64-V68 HydrophobicContact CE1-CG2 3.68Å; F64-V68 HydrophobicContact CE2-CG2 4.47Å; F64-V68 HydrophobicContact CZ-CG2 3.9Å; F64-V68 WeakPolarHBondContact O-CG2 3.49Å; F64-V68 PolarHBondContact O-N 2.92Å; F64-M107 HydrophobicContact CE2-SD 4.06Å; F64-M107 HydrophobicContact CZ-SD 4.29Å; F64-A127 HydrophobicContact CB-CB 4.27Å; F64-I128 HydrophobicContact CD2-CD1 4.47Å; F64-I128 HydrophobicContact CD2-CG1 3.57Å; F64-I128 HydrophobicContact CE2-CD1 4.04Å; F64-I128 HydrophobicContact CE2-CG1 3.57Å; F64-M131 HydrophobicContact CB-SD 4.06Å; F64-M131 HydrophobicContact CD1-CE 3.82Å; F64-M131 HydrophobicContact CD1-SD 3.52Å; F64-M131 VanDerWaalsContact CD1-SD 3.52Å; F64-M131 HydrophobicContact CE1-CE 4.06Å; F64-M131 HydrophobicContact CE1-SD 4.24Å; F64-M131 HydrophobicContact CG-CE 4.13Å; F64-M131 HydrophobicContact CG-SD 3.94Å |
| 65 | A | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61 | -38.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F48 K49 Y52 A61 S62 K63 V68 F69 | F48-A65 HydrophobicContact CD1-CB 4.04Å; F48-A65 WeakPolarHBondContact CD1-O 3.13Å; F48-A65 HydrophobicContact CE1-CB 4.32Å; F48-A65 WeakPolarHBondContact CE1-O 3.21Å; K49-A65 HydrophobicContact CG-CB 4Å; Y52-A65 HydrophobicContact CD1-CB 4.3Å; Y52-A65 HydrophobicContact CD2-CB 3.92Å; Y52-A65 HydrophobicContact CG-CB 3.78Å; A61-A65 VanDerWaalsContact O-CB 3.27Å; A61-A65 WeakPolarHBondContact O-CB 3.45Å; A61-A65 PolarHBondContact O-N 3.1Å; S62-A65 WeakPolarHBondContact O-CB 3.41Å; S62-A65 PolarHBondContact O-N 2.88Å; K63-A65 VanDerWaalsContact C-N 3.31Å; K63-A65 PolarHBondContact O-N 3.28Å; A65-V68 PolarHBondContact O-N 3.18Å; A65-F69 VanDerWaalsContact O-CB 3.22Å; A65-F69 WeakPolarHBondContact O-CB 3.49Å; A65-F69 PolarHBondContact O-N 3.06Å |
| 66 | E | 94.2 | Very high | 90.2 | Very high | 79 Ų | 79 | 52.1 Ų | 52.1 | 37% | 0.369 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 173.7 | -70.6 | 170.8 | 172.5 | 0 | 0 | 112.3 | V45 K49 S62 K63 F64 F69 R70 | V45-E66 HydrophobicContact CG1-CG 4.11Å; K49-E66 WeakPolarHBondContact CE-OE1 3.28Å; K49-E66 IonicContact NZ-OE1 2.71Å; K49-E66 PolarHBondContact NZ-OE1 3.47Å; S62-E66 WeakPolarHBondContact O-CG 3.21Å; S62-E66 PolarHBondContact O-N 3.44Å; K63-E66 WeakPolarHBondContact O-CB 3.28Å; K63-E66 PolarHBondContact O-N 3.02Å; F64-E66 VanDerWaalsContact C-N 3.33Å; F64-E66 PolarHBondContact O-N 3.15Å; E66-F69 WeakPolarHBondContact O-CB 3.33Å; E66-F69 PolarHBondContact O-N 3.06Å; E66-R70 PolarHBondContact O-N 3.16Å |
| 67 | H | 92.6 | Very high | 91 | Very high | 15 Ų | 15 | 53.5 Ų | 53.5 | 7% | 0.069 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 177.7 | -66.2 | -60.2 | 0 | 0 | 0 | 112.5 | K63 F64 F69 R70 T71 M107 E123 I124 | K63-H67 PolarHBondContact O-CD2 2.86Å; K63-H67 PolarHBondContact O-N 3.02Å; K63-H67 VanDerWaalsContact O-N 3.13Å; F64-H67 PolarHBondContact O-N 3.36Å; H67-F69 VanDerWaalsContact C-N 3.35Å; H67-R70 PolarHBondContact O-N 2.85Å; H67-T71 PolarHBondContact O-N 3.38Å; H67-M107 HydrophobicContact CB-CG 4.38Å; H67-E123 IonicContact CE1-OE1 3.78Å; H67-E123 PolarHBondContact CE1-OE1 3.43Å; H67-E123 VanDerWaalsContact CE1-OE1 3.25Å; H67-E123 IonicContact NE2-OE1 2.68Å; H67-I124 HydrophobicContact CB-CD1 3.69Å; H67-I124 VanDerWaalsContact CD2-CD1 3.43Å; H67-I124 WeakPolarHBondContact CD2-CD1 3.5Å; H67-I124 WeakPolarHBondContact ND1-CD1 3.43Å |
| 68 | V | 92.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.4 | -44 | 174.4 | 176.3 | 0 | 0 | 0 | 0 | 110.1 | F48 F64 A65 R70 T71 F72 W103 M107 | F48-V68 HydrophobicContact CE1-CB 3.99Å; F48-V68 HydrophobicContact CE1-CG1 3.86Å; F48-V68 HydrophobicContact CZ-CB 4.31Å; F48-V68 HydrophobicContact CZ-CG1 3.65Å; F64-V68 HydrophobicContact CD1-CG2 4.08Å; F64-V68 HydrophobicContact CE1-CG2 3.68Å; F64-V68 HydrophobicContact CE2-CG2 4.47Å; F64-V68 HydrophobicContact CZ-CG2 3.9Å; F64-V68 WeakPolarHBondContact O-CG2 3.49Å; F64-V68 PolarHBondContact O-N 2.92Å; A65-V68 PolarHBondContact O-N 3.18Å; V68-R70 VanDerWaalsContact C-N 3.31Å; V68-R70 PolarHBondContact O-N 2.75Å; V68-T71 PolarHBondContact O-N 2.72Å; V68-T71 PolarHBondContact O-OG1 3.12Å; V68-F72 HydrophobicContact CG1-CD2 3.86Å; V68-F72 HydrophobicContact CG1-CE2 3.62Å; V68-F72 HydrophobicContact CG1-CZ 4.41Å; V68-F72 WeakPolarHBondContact O-CD2 3.42Å; V68-F72 PolarHBondContact O-N 3.23Å; V68-W103 HydrophobicContact CG1-CH2 4.41Å; V68-W103 HydrophobicContact CG1-CZ2 4.36Å; V68-M107 HydrophobicContact CG2-CE 3.75Å; V68-M107 HydrophobicContact CG2-SD 4.19Å |
| 69 | F | 94 | Very high | 92.5 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.1 | -47.5 | 178 | -173.8 | -78.7 | 0 | 0 | 0 | 111.4 | L43 V45 F48 A65 E66 H67 T71 F72 D73 G78 I80 | L43-F69 WeakPolarHBondContact O-CE2 3.32Å; V45-F69 HydrophobicContact CB-CD2 4.33Å; V45-F69 HydrophobicContact CB-CE2 4.3Å; V45-F69 HydrophobicContact CB-CZ 4.46Å; V45-F69 HydrophobicContact CG2-CD1 3.55Å; V45-F69 HydrophobicContact CG2-CD2 3.91Å; V45-F69 HydrophobicContact CG2-CE1 3.43Å; V45-F69 VanDerWaalsContact CG2-CE1 3.43Å; V45-F69 HydrophobicContact CG2-CE2 3.79Å; V45-F69 HydrophobicContact CG2-CG 3.79Å; V45-F69 HydrophobicContact CG2-CZ 3.54Å; V45-F69 VanDerWaalsContact N-CE2 3.33Å; F48-F69 HydrophobicContact CB-CD2 3.74Å; F48-F69 HydrophobicContact CB-CE2 4.27Å; F48-F69 HydrophobicContact CD1-CB 4.08Å; F48-F69 HydrophobicContact CD1-CD2 4.16Å; F48-F69 HydrophobicContact CD2-CD2 4.35Å; F48-F69 HydrophobicContact CE1-CB 4.35Å; F48-F69 AromaticContact CG-CD2 3.85Å; F48-F69 HydrophobicContact CG-CD2 3.85Å; A65-F69 VanDerWaalsContact O-CB 3.22Å; A65-F69 WeakPolarHBondContact O-CB 3.49Å; A65-F69 PolarHBondContact O-N 3.06Å; E66-F69 WeakPolarHBondContact O-CB 3.33Å; E66-F69 PolarHBondContact O-N 3.06Å; H67-F69 VanDerWaalsContact C-N 3.35Å; F69-T71 PolarHBondContact O-N 3.33Å; F69-T71 VanDerWaalsContact O-N 3.15Å; F69-F72 WeakPolarHBondContact O-CA 3.45Å; F69-F72 WeakPolarHBondContact O-CB 3.44Å; F69-F72 PolarHBondContact O-N 2.88Å; F69-D73 HydrophobicContact CD1-CB 4.07Å; F69-D73 HydrophobicContact CE1-CB 3.76Å; F69-D73 WeakPolarHBondContact O-CB 3.3Å; F69-D73 PolarHBondContact O-N 2.76Å; F69-G78 WeakPolarHBondContact CZ-O 3.44Å; F69-I80 HydrophobicContact CD1-CD1 4.47Å; F69-I80 HydrophobicContact CD2-CD1 3.31Å; F69-I80 HydrophobicContact CD2-CG1 4.01Å; F69-I80 HydrophobicContact CE1-CG1 4.27Å; F69-I80 HydrophobicContact CE2-CB 4.44Å; F69-I80 HydrophobicContact CE2-CD1 3.41Å; F69-I80 VanDerWaalsContact CE2-CD1 3.41Å; F69-I80 HydrophobicContact CE2-CG1 3.63Å; F69-I80 HydrophobicContact CG-CD1 3.9Å; F69-I80 HydrophobicContact CG-CG1 4.49Å; F69-I80 HydrophobicContact CZ-CD1 4.05Å; F69-I80 HydrophobicContact CZ-CG1 3.78Å |
| 70 | R | 94 | Very high | 93.3 | Very high | 88 Ų | 88 | 42.6 Ų | 42.6 | 33% | 0.332 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -54.8 | -33.8 | 176.9 | -176.6 | -174.4 | 65.7 | 92.1 | 6 | 113.1 | E66 H67 V68 S106 M107 D109 L110 | E66-R70 PolarHBondContact O-N 3.16Å; H67-R70 PolarHBondContact O-N 2.85Å; V68-R70 VanDerWaalsContact C-N 3.31Å; V68-R70 PolarHBondContact O-N 2.75Å; R70-S106 PolarHBondContact NH2-O 3.4Å; R70-M107 PolarHBondContact NH2-O 2.97Å; R70-D109 PolarHBondContact NH1-O 3.32Å; R70-D109 PolarHBondContact NH2-O 3.01Å; R70-D109 VanDerWaalsContact NH2-O 3.08Å; R70-L110 PolarHBondContact NH1-O 3.08Å; R70-L110 VanDerWaalsContact NH1-O 3.1Å |
| 71 | T | 91.4 | Very high | 93.6 | Very high | 16 Ų | 16 | 41.3 Ų | 41.3 | 10% | 0.098 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -82.5 | -16.1 | 177.9 | 62.7 | 0 | 0 | 0 | 0 | 114.2 | H67 V68 F69 W103 M107 | H67-T71 PolarHBondContact O-N 3.38Å; V68-T71 PolarHBondContact O-N 2.72Å; V68-T71 PolarHBondContact O-OG1 3.12Å; F69-T71 PolarHBondContact O-N 3.33Å; F69-T71 VanDerWaalsContact O-N 3.15Å; T71-W103 WeakPolarHBondContact OG1-CZ2 3.34Å; T71-M107 HydrophobicContact CG2-CB 3.72Å; T71-M107 HydrophobicContact CG2-CG 4.08Å |
| 72 | F | 93.6 | Very high | 93.9 | Very high | 17 Ų | 17 | 41.8 Ų | 41.8 | 8% | 0.075 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -88.9 | -41.4 | 174.2 | -84.7 | -130.1 | 0 | 0 | 0 | 110.6 | V68 F69 T74 I80 E84 F85 A88 W103 | V68-F72 HydrophobicContact CG1-CD2 3.86Å; V68-F72 HydrophobicContact CG1-CE2 3.62Å; V68-F72 HydrophobicContact CG1-CZ 4.41Å; V68-F72 WeakPolarHBondContact O-CD2 3.42Å; V68-F72 PolarHBondContact O-N 3.23Å; F69-F72 WeakPolarHBondContact O-CA 3.45Å; F69-F72 WeakPolarHBondContact O-CB 3.44Å; F69-F72 PolarHBondContact O-N 2.88Å; F72-T74 VanDerWaalsContact C-N 3.26Å; F72-T74 PolarHBondContact O-N 3.22Å; F72-I80 HydrophobicContact CB-CD1 3.4Å; F72-I80 HydrophobicContact CB-CG1 3.81Å; F72-I80 HydrophobicContact CB-CG2 4.44Å; F72-I80 HydrophobicContact CD1-CD1 4.13Å; F72-I80 HydrophobicContact CD1-CG2 4.47Å; F72-I80 HydrophobicContact CG-CD1 4.12Å; F72-E84 WeakPolarHBondContact O-CB 3.23Å; F72-F85 HydrophobicContact CE1-CD2 4.3Å; F72-A88 HydrophobicContact CB-CB 4.45Å; F72-A88 HydrophobicContact CD1-CB 3.5Å; F72-A88 HydrophobicContact CD2-CB 3.67Å; F72-A88 HydrophobicContact CE1-CB 3.48Å; F72-A88 VanDerWaalsContact CE1-CB 3.48Å; F72-A88 HydrophobicContact CE2-CB 3.65Å; F72-A88 HydrophobicContact CG-CB 3.59Å; F72-A88 HydrophobicContact CZ-CB 3.55Å; F72-W103 AromaticContact CD2-CZ2 3.99Å; F72-W103 HydrophobicContact CD2-CZ2 3.99Å; F72-W103 HydrophobicContact CE2-CH2 4.31Å; F72-W103 AromaticContact CE2-CZ2 3.55Å; F72-W103 HydrophobicContact CE2-CZ2 3.55Å |
| 73 | D | 95.6 | Very high | 94.1 | Very high | 20 Ų | 20 | 44.1 Ų | 44.1 | 11% | 0.107 | 24% | 0.242 | C | C | . | . | trans | -71.9 | 78.9 | 174.5 | 179.2 | 6.1 | 0 | 0 | 0 | 109.9 | F69 N75 G76 D77 G78 I80 | F69-D73 HydrophobicContact CD1-CB 4.07Å; F69-D73 HydrophobicContact CE1-CB 3.76Å; F69-D73 WeakPolarHBondContact O-CB 3.3Å; F69-D73 PolarHBondContact O-N 2.76Å; D73-N75 VanDerWaalsContact C-N 3.3Å; D73-N75 PolarHBondContact OD1-OD1 3.45Å; D73-G76 WeakPolarHBondContact OD1-CA 3.46Å; D73-G76 PolarHBondContact OD1-N 3.08Å; D73-D77 PolarHBondContact OD1-N 2.8Å; D73-D77 PolarHBondContact OD2-N 3.35Å; D73-G78 VanDerWaalsContact OD2-CA 3.29Å; D73-G78 WeakPolarHBondContact OD2-CA 3.32Å; D73-G78 PolarHBondContact OD2-N 2.94Å; D73-I80 HydrophobicContact CB-CG1 4.31Å | ||
| 74 | T | 92.7 | Very high | 94.3 | Very high | 106 Ų | 106 | 40.3 Ų | 40.3 | 65% | 0.65 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -74.1 | -23.4 | -175.2 | 56.8 | 0 | 0 | 0 | 0 | 112.8 | F72 E84 | F72-T74 VanDerWaalsContact C-N 3.26Å; F72-T74 PolarHBondContact O-N 3.22Å; T74-E84 PolarHBondContact N-OE1 3.17Å; T74-E84 PolarHBondContact OG1-OE1 2.67Å |
| 75 | N | 94.5 | Very high | 94.5 | Very high | 91 Ų | 91 | 40.6 Ų | 40.6 | 49% | 0.487 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -92.1 | -13.9 | 178.7 | 76.5 | 6.8 | 0 | 0 | 0 | 112.9 | D73 D77 E84 | D73-N75 VanDerWaalsContact C-N 3.3Å; D73-N75 PolarHBondContact OD1-OD1 3.45Å; N75-D77 PolarHBondContact ND2-OD2 3.49Å; N75-D77 VanDerWaalsContact OD1-CB 3.27Å; N75-D77 WeakPolarHBondContact OD1-CB 3.32Å; N75-D77 PolarHBondContact OD1-N 3.33Å; N75-D77 PolarHBondContact OD1-OD2 2.98Å; N75-E84 PolarHBondContact N-OE1 2.94Å; N75-E84 VanDerWaalsContact N-OE1 3.12Å |
| 76 | G | 94.1 | Very high | 94.6 | Very high | 61 Ų | 61 | 40.6 Ų | 40.6 | 63% | 0.629 | 23% | 0.226 | S | C | * | . | trans | 73.9 | 25.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D73 G78 | D73-G76 WeakPolarHBondContact OD1-CA 3.46Å; D73-G76 PolarHBondContact OD1-N 3.08Å; G76-G78 VanDerWaalsContact C-N 3.32Å | ||
| 77 | D | 96.4 | Very high | 94.7 | Very high | 86 Ų | 86 | 38.7 Ų | 38.7 | 46% | 0.46 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -86 | -3 | -176.7 | 78 | 20.4 | 0 | 0 | 0 | 114 | D73 N75 T79 | D73-D77 PolarHBondContact OD1-N 2.8Å; D73-D77 PolarHBondContact OD2-N 3.35Å; N75-D77 PolarHBondContact ND2-OD2 3.49Å; N75-D77 VanDerWaalsContact OD1-CB 3.27Å; N75-D77 WeakPolarHBondContact OD1-CB 3.32Å; N75-D77 PolarHBondContact OD1-N 3.33Å; N75-D77 PolarHBondContact OD1-OD2 2.98Å; D77-T79 VanDerWaalsContact C-N 3.31Å; D77-T79 WeakPolarHBondContact OD1-CA 3.04Å; D77-T79 WeakPolarHBondContact OD1-CB 3.29Å; D77-T79 PolarHBondContact OD1-N 3.39Å; D77-T79 PolarHBondContact OD1-OG1 3.49Å |
| 78 | G | 95.7 | Very high | 94.6 | Very high | 38 Ų | 38 | 38.3 Ų | 38.3 | 39% | 0.392 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 83.5 | 6.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F69 D73 G76 | F69-G78 WeakPolarHBondContact CZ-O 3.44Å; D73-G78 VanDerWaalsContact OD2-CA 3.29Å; D73-G78 WeakPolarHBondContact OD2-CA 3.32Å; D73-G78 PolarHBondContact OD2-N 2.94Å; G76-G78 VanDerWaalsContact C-N 3.32Å |
| 79 | T | 96.7 | Very high | 94.6 | Very high | 33 Ų | 33 | 39.9 Ų | 39.9 | 20% | 0.202 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 159.1 | 174.4 | 71.5 | 0 | 0 | 0 | 0 | 110.7 | H42 D77 | H42-T79 HydrophobicContact CB-CG2 4.42Å; D77-T79 VanDerWaalsContact C-N 3.31Å; D77-T79 WeakPolarHBondContact OD1-CA 3.04Å; D77-T79 WeakPolarHBondContact OD1-CB 3.29Å; D77-T79 PolarHBondContact OD1-N 3.39Å; D77-T79 PolarHBondContact OD1-OG1 3.49Å |
| 80 | I | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 116.1 | 170.6 | -66.2 | 164.2 | 0 | 0 | 0 | 107.5 | H42 L43 F48 F69 F72 D73 E84 F85 | H42-I80 WeakPolarHBondContact CA-O 3.34Å; L43-I80 HydrophobicContact CB-CB 4.3Å; L43-I80 PolarHBondContact N-O 3.49Å; L43-I80 PolarHBondContact O-N 2.85Å; F48-I80 HydrophobicContact CD2-CD1 4.12Å; F48-I80 HydrophobicContact CE2-CD1 4.24Å; F69-I80 HydrophobicContact CD1-CD1 4.47Å; F69-I80 HydrophobicContact CD2-CD1 3.31Å; F69-I80 HydrophobicContact CD2-CG1 4.01Å; F69-I80 HydrophobicContact CE1-CG1 4.27Å; F69-I80 HydrophobicContact CE2-CB 4.44Å; F69-I80 HydrophobicContact CE2-CD1 3.41Å; F69-I80 VanDerWaalsContact CE2-CD1 3.41Å; F69-I80 HydrophobicContact CE2-CG1 3.63Å; F69-I80 HydrophobicContact CG-CD1 3.9Å; F69-I80 HydrophobicContact CG-CG1 4.49Å; F69-I80 HydrophobicContact CZ-CD1 4.05Å; F69-I80 HydrophobicContact CZ-CG1 3.78Å; F72-I80 HydrophobicContact CB-CD1 3.4Å; F72-I80 HydrophobicContact CB-CG1 3.81Å; F72-I80 HydrophobicContact CB-CG2 4.44Å; F72-I80 HydrophobicContact CD1-CD1 4.13Å; F72-I80 HydrophobicContact CD1-CG2 4.47Å; F72-I80 HydrophobicContact CG-CD1 4.12Å; D73-I80 HydrophobicContact CB-CG1 4.31Å; I80-E84 WeakPolarHBondContact CA-OE2 3.3Å; I80-E84 HydrophobicContact CG2-CB 3.91Å; I80-F85 HydrophobicContact CG2-CB 3.8Å |
| 81 | D | 96 | Very high | 94.2 | Very high | 46 Ų | 46 | 37.1 Ų | 37.1 | 25% | 0.246 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 174.1 | 171.8 | 81.6 | 20.5 | 0 | 0 | 0 | 111.9 | R83 E84 F85 | D81-R83 VanDerWaalsContact C-N 3.29Å; D81-R83 PolarHBondContact O-N 3.25Å; D81-R83 VanDerWaalsContact OD1-CA 3.3Å; D81-R83 WeakPolarHBondContact OD1-CA 3.46Å; D81-R83 VanDerWaalsContact OD1-CB 3.24Å; D81-R83 WeakPolarHBondContact OD1-CB 3.36Å; D81-R83 PolarHBondContact OD1-N 2.6Å; D81-E84 PolarHBondContact N-OE2 2.99Å; D81-E84 PolarHBondContact O-N 2.83Å; D81-E84 PolarHBondContact OD1-N 2.85Å; D81-F85 WeakPolarHBondContact O-CB 3.43Å; D81-F85 PolarHBondContact O-N 3.15Å |
| 82 | F | 95.6 | Very high | 94 | Very high | 14 Ų | 14 | 38.3 Ų | 38.3 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.3 | -35.8 | 179.8 | 179 | -110.6 | 0 | 0 | 0 | 113.4 | L8 L16 W30 Y31 F34 F85 I86 | L8-F82 HydrophobicContact CD1-CE1 3.96Å; L8-F82 HydrophobicContact CD2-CD1 3.98Å; L8-F82 HydrophobicContact CD2-CE1 3.96Å; L16-F82 HydrophobicContact CD1-CD1 4.03Å; L16-F82 HydrophobicContact CD1-CE1 3.63Å; W30-F82 HydrophobicContact CB-CE2 3.96Å; W30-F82 HydrophobicContact CB-CZ 3.95Å; Y31-F82 VanDerWaalsContact CA-CE2 3.4Å; Y31-F82 VanDerWaalsContact CA-CZ 3.46Å; Y31-F82 HydrophobicContact CD2-CB 4.12Å; Y31-F82 AromaticContact CD2-CD1 3.46Å; Y31-F82 HydrophobicContact CD2-CD1 3.46Å; Y31-F82 VanDerWaalsContact CD2-CD1 3.46Å; Y31-F82 AromaticContact CD2-CD2 3.94Å; Y31-F82 HydrophobicContact CD2-CD2 3.94Å; Y31-F82 AromaticContact CD2-CE1 3.78Å; Y31-F82 HydrophobicContact CD2-CE1 3.78Å; Y31-F82 HydrophobicContact CD2-CE2 4.23Å; Y31-F82 AromaticContact CD2-CG 3.54Å; Y31-F82 HydrophobicContact CD2-CG 3.54Å; Y31-F82 HydrophobicContact CD2-CZ 4.16Å; Y31-F82 HydrophobicContact CE2-CB 4.23Å; Y31-F82 HydrophobicContact CE2-CD1 4.13Å; Y31-F82 HydrophobicContact CE2-CG 4.13Å; Y31-F82 HydrophobicContact CG-CD1 4.3Å; Y31-F82 HydrophobicContact CG-CE1 4.18Å; Y31-F82 HydrophobicContact CG-CZ 4.38Å; Y31-F82 VanDerWaalsContact N-CZ 3.34Å; F34-F82 HydrophobicContact CB-CD2 3.65Å; F34-F82 HydrophobicContact CB-CE2 4.01Å; F34-F82 HydrophobicContact CD1-CB 4.02Å; F34-F82 AromaticContact CD1-CD2 3.98Å; F34-F82 HydrophobicContact CD1-CD2 3.98Å; F34-F82 HydrophobicContact CD1-CG 4.45Å; F34-F82 HydrophobicContact CD2-CD2 4.07Å; F34-F82 HydrophobicContact CE1-CB 4.07Å; F34-F82 HydrophobicContact CG-CB 4.48Å; F34-F82 AromaticContact CG-CD2 3.64Å; F34-F82 HydrophobicContact CG-CD2 3.64Å; F34-F82 HydrophobicContact CG-CE2 4.43Å; F82-F85 HydrophobicContact CD2-CD1 4.4Å; F82-F85 HydrophobicContact CE2-CD1 4.45Å; F82-I86 HydrophobicContact CE1-CG2 4.31Å; F82-I86 HydrophobicContact CE2-CB 4.36Å; F82-I86 HydrophobicContact CZ-CB 4.19Å; F82-I86 HydrophobicContact CZ-CG1 4.25Å; F82-I86 HydrophobicContact CZ-CG2 4.49Å; F82-I86 WeakPolarHBondContact O-CB 3.4Å; F82-I86 VanDerWaalsContact O-CG2 3.28Å; F82-I86 WeakPolarHBondContact O-CG2 3.47Å; F82-I86 PolarHBondContact O-N 2.89Å |
| 83 | R | 96 | Very high | 93.7 | Very high | 90 Ų | 90 | 40.3 Ų | 40.3 | 34% | 0.34 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.7 | -45.8 | -179 | 176.1 | 179.9 | -167 | -76.4 | -4.5 | 110.1 | D15 L16 D81 I86 I87 | D15-R83 IonicContact OD1-CZ 3.71Å; D15-R83 IonicContact OD1-NE 3.59Å; D15-R83 IonicContact OD1-NH2 2.91Å; D15-R83 PolarHBondContact OD1-NH2 2.84Å; D15-R83 IonicContact OD2-CZ 3.54Å; D15-R83 IonicContact OD2-NE 2.72Å; D15-R83 PolarHBondContact OD2-NE 2.8Å; D15-R83 IonicContact OD2-NH2 3.48Å; D15-R83 PolarHBondContact OD2-NH2 2.83Å; L16-R83 HydrophobicContact CD2-CB 4.04Å; L16-R83 HydrophobicContact CD2-CG 3.75Å; D81-R83 VanDerWaalsContact C-N 3.29Å; D81-R83 PolarHBondContact O-N 3.25Å; D81-R83 VanDerWaalsContact OD1-CA 3.3Å; D81-R83 WeakPolarHBondContact OD1-CA 3.46Å; D81-R83 VanDerWaalsContact OD1-CB 3.24Å; D81-R83 WeakPolarHBondContact OD1-CB 3.36Å; D81-R83 PolarHBondContact OD1-N 2.6Å; R83-I86 WeakPolarHBondContact O-CG2 3.19Å; R83-I86 PolarHBondContact O-N 3.11Å; R83-I87 HydrophobicContact CG-CD1 3.76Å; R83-I87 WeakPolarHBondContact O-CB 3.35Å; R83-I87 VanDerWaalsContact O-CG1 3.23Å; R83-I87 WeakPolarHBondContact O-CG1 3.26Å; R83-I87 PolarHBondContact O-N 3.01Å |
| 84 | E | 96.6 | Very high | 93.3 | Very high | 8 Ų | 8 | 44.4 Ų | 44.4 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.1 | -49.3 | 175.8 | -73 | -178.8 | 135.4 | 0 | 0 | 111.8 | F72 T74 N75 I80 D81 I86 I87 A88 | F72-E84 WeakPolarHBondContact O-CB 3.23Å; T74-E84 PolarHBondContact N-OE1 3.17Å; T74-E84 PolarHBondContact OG1-OE1 2.67Å; N75-E84 PolarHBondContact N-OE1 2.94Å; N75-E84 VanDerWaalsContact N-OE1 3.12Å; I80-E84 WeakPolarHBondContact CA-OE2 3.3Å; I80-E84 HydrophobicContact CG2-CB 3.91Å; D81-E84 PolarHBondContact N-OE2 2.99Å; D81-E84 PolarHBondContact O-N 2.83Å; D81-E84 PolarHBondContact OD1-N 2.85Å; E84-I86 PolarHBondContact O-N 3.38Å; E84-I87 PolarHBondContact O-N 2.65Å; E84-A88 WeakPolarHBondContact O-CB 3.47Å; E84-A88 PolarHBondContact O-N 2.79Å |
| 85 | F | 94.6 | Very high | 92.9 | Very high | 36 Ų | 36 | 39.9 Ų | 39.9 | 16% | 0.158 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.2 | -50.6 | 176.6 | 171.7 | -103 | 0 | 0 | 0 | 112.1 | W30 F34 F72 I80 D81 F82 L89 | W30-F85 AromaticContact CE3-CE1 3.85Å; W30-F85 HydrophobicContact CE3-CE1 3.85Å; W30-F85 HydrophobicContact CE3-CZ 4.25Å; W30-F85 HydrophobicContact CZ3-CE1 4.1Å; W30-F85 HydrophobicContact CZ3-CZ 4.01Å; F34-F85 HydrophobicContact CD2-CB 4.37Å; F34-F85 AromaticContact CD2-CD1 3.82Å; F34-F85 HydrophobicContact CD2-CD1 3.82Å; F34-F85 HydrophobicContact CD2-CE1 4.29Å; F34-F85 HydrophobicContact CD2-CG 4.03Å; F34-F85 HydrophobicContact CE2-CB 3.89Å; F34-F85 HydrophobicContact CE2-CD1 4.18Å; F34-F85 HydrophobicContact CE2-CD2 4.46Å; F34-F85 AromaticContact CE2-CG 3.92Å; F34-F85 HydrophobicContact CE2-CG 3.92Å; F72-F85 HydrophobicContact CE1-CD2 4.3Å; I80-F85 HydrophobicContact CG2-CB 3.8Å; D81-F85 WeakPolarHBondContact O-CB 3.43Å; D81-F85 PolarHBondContact O-N 3.15Å; F82-F85 HydrophobicContact CD2-CD1 4.4Å; F82-F85 HydrophobicContact CE2-CD1 4.45Å; F85-L89 HydrophobicContact CE1-CD2 4.08Å; F85-L89 HydrophobicContact CZ-CD2 4.02Å; F85-L89 WeakPolarHBondContact O-CB 3.39Å; F85-L89 PolarHBondContact O-N 2.84Å |
| 86 | I | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -74.7 | -32.1 | -172.6 | -160.4 | 60.4 | 0 | 0 | 0 | 112.5 | L16 T20 F22 L27 W30 F82 R83 E84 L89 S90 | L16-I86 HydrophobicContact CD1-CG2 4.34Å; L16-I86 HydrophobicContact CD2-CG2 3.69Å; T20-I86 HydrophobicContact CG2-CG2 4.24Å; F22-I86 HydrophobicContact CD2-CD1 3.68Å; F22-I86 HydrophobicContact CD2-CG1 3.78Å; F22-I86 HydrophobicContact CE2-CD1 3.49Å; F22-I86 VanDerWaalsContact CE2-CD1 3.49Å; F22-I86 HydrophobicContact CE2-CG1 3.96Å; F22-I86 HydrophobicContact CG-CD1 4.43Å; F22-I86 HydrophobicContact CZ-CD1 4.12Å; L27-I86 HydrophobicContact CD2-CG1 3.74Å; W30-I86 HydrophobicContact CB-CD1 3.91Å; W30-I86 HydrophobicContact CD2-CD1 4.24Å; W30-I86 HydrophobicContact CG-CD1 3.71Å; F82-I86 HydrophobicContact CE1-CG2 4.31Å; F82-I86 HydrophobicContact CE2-CB 4.36Å; F82-I86 HydrophobicContact CZ-CB 4.19Å; F82-I86 HydrophobicContact CZ-CG1 4.25Å; F82-I86 HydrophobicContact CZ-CG2 4.49Å; F82-I86 WeakPolarHBondContact O-CB 3.4Å; F82-I86 VanDerWaalsContact O-CG2 3.28Å; F82-I86 WeakPolarHBondContact O-CG2 3.47Å; F82-I86 PolarHBondContact O-N 2.89Å; R83-I86 WeakPolarHBondContact O-CG2 3.19Å; R83-I86 PolarHBondContact O-N 3.11Å; E84-I86 PolarHBondContact O-N 3.38Å; I86-L89 HydrophobicContact CD1-CD2 4.16Å; I86-S90 VanDerWaalsContact O-CB 3.25Å; I86-S90 WeakPolarHBondContact O-CB 3.46Å; I86-S90 PolarHBondContact O-N 3.15Å |
| 87 | I | 94.3 | Very high | 92.3 | Very high | 38 Ų | 38 | 45 Ų | 45 | 20% | 0.195 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.7 | -50 | 173.3 | -71.2 | 172.3 | 0 | 0 | 0 | 110.2 | N19 T20 R83 E84 L89 S90 V91 | N19-I87 HydrophobicContact CB-CD1 3.97Å; N19-I87 HydrophobicContact CB-CG1 4.16Å; T20-I87 HydrophobicContact CG2-CG1 3.85Å; R83-I87 HydrophobicContact CG-CD1 3.76Å; R83-I87 WeakPolarHBondContact O-CB 3.35Å; R83-I87 VanDerWaalsContact O-CG1 3.23Å; R83-I87 WeakPolarHBondContact O-CG1 3.26Å; R83-I87 PolarHBondContact O-N 3.01Å; E84-I87 PolarHBondContact O-N 2.65Å; I87-L89 VanDerWaalsContact C-N 3.31Å; I87-L89 PolarHBondContact O-N 3.38Å; I87-S90 WeakPolarHBondContact O-CB 3.48Å; I87-S90 PolarHBondContact O-N 2.78Å; I87-S90 VanDerWaalsContact O-N 3.14Å; I87-V91 WeakPolarHBondContact O-CG2 3.45Å; I87-V91 PolarHBondContact O-N 2.71Å |
| 88 | A | 91.3 | Very high | 91.9 | Very high | 7 Ų | 7 | 44.8 Ų | 44.8 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.1 | -40.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F72 E84 S90 V91 T92 | F72-A88 HydrophobicContact CB-CB 4.45Å; F72-A88 HydrophobicContact CD1-CB 3.5Å; F72-A88 HydrophobicContact CD2-CB 3.67Å; F72-A88 HydrophobicContact CE1-CB 3.48Å; F72-A88 VanDerWaalsContact CE1-CB 3.48Å; F72-A88 HydrophobicContact CE2-CB 3.65Å; F72-A88 HydrophobicContact CG-CB 3.59Å; F72-A88 HydrophobicContact CZ-CB 3.55Å; E84-A88 WeakPolarHBondContact O-CB 3.47Å; E84-A88 PolarHBondContact O-N 2.79Å; A88-S90 PolarHBondContact O-N 2.66Å; A88-V91 PolarHBondContact O-N 3.43Å; A88-T92 WeakPolarHBondContact O-CB 3.47Å; A88-T92 WeakPolarHBondContact O-CG2 3.47Å; A88-T92 PolarHBondContact O-N 2.82Å; A88-T92 PolarHBondContact O-OG1 3.25Å |
| 89 | L | 91.6 | Very high | 91.5 | Very high | 36 Ų | 36 | 47 Ų | 47 | 19% | 0.188 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 173.6 | -176.5 | 62.7 | 0 | 0 | 0 | 111.8 | F22 W30 F85 I86 I87 T92 S93 | F22-L89 HydrophobicContact CE2-CG 4.43Å; F22-L89 HydrophobicContact CZ-CD2 4.08Å; F22-L89 HydrophobicContact CZ-CG 4.1Å; W30-L89 HydrophobicContact CD2-CD2 4.17Å; W30-L89 HydrophobicContact CE3-CD2 4.28Å; W30-L89 HydrophobicContact CH2-CD2 3.7Å; W30-L89 HydrophobicContact CZ2-CD2 3.56Å; W30-L89 HydrophobicContact CZ3-CD2 4.06Å; F85-L89 HydrophobicContact CE1-CD2 4.08Å; F85-L89 HydrophobicContact CZ-CD2 4.02Å; F85-L89 WeakPolarHBondContact O-CB 3.39Å; F85-L89 PolarHBondContact O-N 2.84Å; I86-L89 HydrophobicContact CD1-CD2 4.16Å; I87-L89 VanDerWaalsContact C-N 3.31Å; I87-L89 PolarHBondContact O-N 3.38Å; L89-T92 WeakPolarHBondContact CA-OG1 3.45Å; L89-T92 PolarHBondContact O-N 3.33Å; L89-T92 PolarHBondContact O-OG1 3.14Å; L89-S93 VanDerWaalsContact O-CB 3.23Å; L89-S93 WeakPolarHBondContact O-CB 3.23Å; L89-S93 PolarHBondContact O-N 3.08Å; L89-S93 PolarHBondContact O-OG 2.83Å |
| 90 | S | 92.4 | Very high | 91.2 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 3% | 0.028 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.9 | -48.3 | 177 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | T20 E21 I86 I87 A88 R94 G95 | T20-S90 WeakPolarHBondContact CA-OG 3.33Å; E21-S90 PolarHBondContact N-OG 3.15Å; I86-S90 VanDerWaalsContact O-CB 3.25Å; I86-S90 WeakPolarHBondContact O-CB 3.46Å; I86-S90 PolarHBondContact O-N 3.15Å; I87-S90 WeakPolarHBondContact O-CB 3.48Å; I87-S90 PolarHBondContact O-N 2.78Å; I87-S90 VanDerWaalsContact O-N 3.14Å; A88-S90 PolarHBondContact O-N 2.66Å; S90-R94 CarbonylContact O-C 3.47Å; S90-R94 WeakPolarHBondContact O-CA 3.22Å; S90-R94 PolarHBondContact O-N 2.99Å; S90-G95 PolarHBondContact O-N 3.24Å |
| 91 | V | 89 | Confident | 90.9 | Very high | 32 Ų | 32 | 49.4 Ų | 49.4 | 19% | 0.194 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.9 | -48.8 | 179.1 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | I87 A88 G95 Q99 K100 W103 | I87-V91 WeakPolarHBondContact O-CG2 3.45Å; I87-V91 PolarHBondContact O-N 2.71Å; A88-V91 PolarHBondContact O-N 3.43Å; V91-G95 VanDerWaalsContact O-CA 3.29Å; V91-G95 WeakPolarHBondContact O-CA 3.49Å; V91-G95 PolarHBondContact O-N 3.18Å; V91-G95 VanDerWaalsContact O-N 3.14Å; V91-Q99 HydrophobicContact CG1-CB 4.28Å; V91-K100 WeakPolarHBondContact O-CG 3.36Å; V91-W103 HydrophobicContact CG1-CB 3.84Å; V91-W103 HydrophobicContact CG1-CG 4.23Å |
| 92 | T | 86 | Confident | 90.7 | Very high | 42 Ų | 42 | 51.6 Ų | 51.6 | 26% | 0.258 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -72.5 | -35.4 | -174.8 | 53 | 0 | 0 | 0 | 0 | 113 | A88 L89 K100 W103 | A88-T92 WeakPolarHBondContact O-CB 3.47Å; A88-T92 WeakPolarHBondContact O-CG2 3.47Å; A88-T92 PolarHBondContact O-N 2.82Å; A88-T92 PolarHBondContact O-OG1 3.25Å; L89-T92 WeakPolarHBondContact CA-OG1 3.45Å; L89-T92 PolarHBondContact O-N 3.33Å; L89-T92 PolarHBondContact O-OG1 3.14Å; T92-K100 WeakPolarHBondContact O-CE 3.49Å; T92-K100 PolarHBondContact O-NZ 3.48Å; T92-W103 HydrophobicContact CG2-CD2 3.74Å; T92-W103 HydrophobicContact CG2-CE3 3.64Å; T92-W103 HydrophobicContact CG2-CG 4.49Å; T92-W103 HydrophobicContact CG2-CH2 3.79Å; T92-W103 HydrophobicContact CG2-CZ2 3.95Å; T92-W103 HydrophobicContact CG2-CZ3 3.64Å |
| 93 | S | 86.6 | Confident | 90.5 | Very high | 59 Ų | 59 | 53.4 Ų | 53.4 | 41% | 0.413 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -88.7 | -52.2 | -179.4 | 67.7 | 0 | 0 | 0 | 0 | 113.2 | L89 K100 | L89-S93 VanDerWaalsContact O-CB 3.23Å; L89-S93 WeakPolarHBondContact O-CB 3.23Å; L89-S93 PolarHBondContact O-N 3.08Å; L89-S93 PolarHBondContact O-OG 2.83Å; S93-K100 PolarHBondContact O-NZ 3.42Å |
| 94 | R | 88.8 | Confident | 90.3 | Very high | 106 Ų | 106 | 50.1 Ų | 50.1 | 40% | 0.4 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -108.4 | -12.1 | -170 | -64.1 | -179.5 | -177.3 | -163.8 | -1.4 | 114.6 | E21 F22 E26 S90 | E21-R94 HydrophobicContact CB-CB 3.82Å; E21-R94 HydrophobicContact CB-CG 4.48Å; E21-R94 HydrophobicContact CG-CB 4.23Å; E21-R94 WeakPolarHBondContact O-CD 3.44Å; E21-R94 PolarHBondContact O-NH1 3.24Å; F22-R94 VanDerWaalsContact CD1-NH1 3.26Å; F22-R94 VanDerWaalsContact CE1-NE 3.35Å; E26-R94 IonicContact OE1-CZ 3.2Å; E26-R94 IonicContact OE1-NH1 3.82Å; E26-R94 PolarHBondContact OE1-NH1 3.13Å; E26-R94 IonicContact OE1-NH2 2.94Å; E26-R94 PolarHBondContact OE1-NH2 3.43Å; E26-R94 IonicContact OE2-CZ 3.97Å; E26-R94 IonicContact OE2-NH1 2.76Å; E26-R94 PolarHBondContact OE2-NH1 3.01Å; E26-R94 IonicContact OE2-NH2 3.4Å; S90-R94 CarbonylContact O-C 3.47Å; S90-R94 WeakPolarHBondContact O-CA 3.22Å; S90-R94 PolarHBondContact O-N 2.99Å |
| 95 | G | 84.4 | Confident | 90.2 | Very high | 11 Ų | 11 | 50.3 Ų | 50.3 | 11% | 0.113 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -61.1 | 156.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S90 V91 K100 | S90-G95 PolarHBondContact O-N 3.24Å; V91-G95 VanDerWaalsContact O-CA 3.29Å; V91-G95 WeakPolarHBondContact O-CA 3.49Å; V91-G95 PolarHBondContact O-N 3.18Å; V91-G95 VanDerWaalsContact O-N 3.14Å; G95-K100 WeakPolarHBondContact O-CE 3.37Å |
| 96 | K | 88.7 | Confident | 90.1 | Very high | 162 Ų | 162 | 50.8 Ų | 50.8 | 70% | 0.704 | 26% | 0.255 | S | S | * | . | trans | -64.7 | 156.1 | 170 | -63.9 | 176.4 | -176.9 | 172 | 0 | 109.8 | E98 Q99 K100 | K96-E98 PolarHBondContact O-N 2.66Å; K96-E98 VanDerWaalsContact O-N 3.11Å; K96-Q99 WeakPolarHBondContact O-CB 3.44Å; K96-Q99 PolarHBondContact O-N 3.18Å; K96-K100 PolarHBondContact O-N 3.47Å | ||
| 97 | L | 86 | Confident | 90 | Very high | 98 Ų | 98 | 51.4 Ų | 51.4 | 51% | 0.513 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -48.7 | -44.3 | 178.6 | 177.3 | 61.9 | 0 | 0 | 0 | 112.4 | Q99 K100 L101 K174 | L97-Q99 PolarHBondContact O-N 3.43Å; L97-K100 PolarHBondContact O-N 3.14Å; L97-L101 HydrophobicContact CD1-CD1 4.18Å; L97-L101 HydrophobicContact CD1-CG 4.16Å; L97-L101 HydrophobicContact CG-CD1 4Å; L97-L101 HydrophobicContact CG-CG 4.39Å; L97-L101 VanDerWaalsContact O-CG 3.31Å; L97-L101 WeakPolarHBondContact O-CG 3.33Å; L97-L101 PolarHBondContact O-N 3.39Å; L97-K174 HydrophobicContact CD2-CG 4.37Å |
| 98 | E | 88.3 | Confident | 90 | Very high | 81 Ų | 81 | 49.9 Ų | 49.9 | 38% | 0.379 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65 | -37.3 | 179.4 | -171.3 | 174.8 | 141.1 | 0 | 0 | 113.5 | K96 K100 L101 K102 I170 K174 | K96-E98 PolarHBondContact O-N 2.66Å; K96-E98 VanDerWaalsContact O-N 3.11Å; E98-K100 VanDerWaalsContact C-N 3.35Å; E98-L101 PolarHBondContact O-N 2.89Å; E98-K102 HydrophobicContact CG-CD 4.39Å; E98-K102 WeakPolarHBondContact O-CB 3.48Å; E98-K102 WeakPolarHBondContact O-CG 3.33Å; E98-K102 PolarHBondContact O-N 2.87Å; E98-K102 VanDerWaalsContact OE1-CE 3.32Å; E98-K102 WeakPolarHBondContact OE1-CE 3.04Å; E98-K102 IonicContact OE1-NZ 3.48Å; E98-K102 PolarHBondContact OE1-NZ 3.29Å; E98-I170 HydrophobicContact CG-CD1 4.28Å; E98-K174 IonicContact OE2-NZ 3.8Å; E98-K174 PolarHBondContact OE2-NZ 3.3Å |
| 99 | Q | 88.5 | Confident | 90.2 | Very high | 83 Ų | 83 | 50.1 Ų | 50.1 | 39% | 0.388 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.8 | -41.6 | 174.9 | -68.3 | 168.9 | -55.9 | 0 | 0 | 110.4 | V91 K96 L97 L101 K102 W103 | V91-Q99 HydrophobicContact CG1-CB 4.28Å; K96-Q99 WeakPolarHBondContact O-CB 3.44Å; K96-Q99 PolarHBondContact O-N 3.18Å; L97-Q99 PolarHBondContact O-N 3.43Å; Q99-L101 PolarHBondContact O-N 3.15Å; Q99-K102 PolarHBondContact O-N 3.31Å; Q99-W103 WeakPolarHBondContact O-CB 3.41Å; Q99-W103 PolarHBondContact O-N 3.47Å |
| 100 | K | 88.6 | Confident | 90.4 | Very high | 73 Ų | 73 | 50.2 Ų | 50.2 | 32% | 0.317 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 175.1 | -64.6 | -173.7 | -176 | -159.5 | 0 | 112.2 | V91 T92 S93 G95 K96 L97 E98 W103 A104 | V91-K100 WeakPolarHBondContact O-CG 3.36Å; T92-K100 WeakPolarHBondContact O-CE 3.49Å; T92-K100 PolarHBondContact O-NZ 3.48Å; S93-K100 PolarHBondContact O-NZ 3.42Å; G95-K100 WeakPolarHBondContact O-CE 3.37Å; K96-K100 PolarHBondContact O-N 3.47Å; L97-K100 PolarHBondContact O-N 3.14Å; E98-K100 VanDerWaalsContact C-N 3.35Å; K100-W103 PolarHBondContact O-N 3.26Å; K100-A104 WeakPolarHBondContact O-CB 3.29Å; K100-A104 PolarHBondContact O-N 2.94Å |
| 101 | L | 91 | Very high | 90.5 | Very high | 12 Ų | 12 | 55.1 Ų | 55.1 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.7 | -38.5 | 177.4 | -68.6 | 174 | 0 | 0 | 0 | 112.3 | L97 E98 Q99 A104 F105 F169 I170 A173 K174 | L97-L101 HydrophobicContact CD1-CD1 4.18Å; L97-L101 HydrophobicContact CD1-CG 4.16Å; L97-L101 HydrophobicContact CG-CD1 4Å; L97-L101 HydrophobicContact CG-CG 4.39Å; L97-L101 VanDerWaalsContact O-CG 3.31Å; L97-L101 WeakPolarHBondContact O-CG 3.33Å; L97-L101 PolarHBondContact O-N 3.39Å; E98-L101 PolarHBondContact O-N 2.89Å; Q99-L101 PolarHBondContact O-N 3.15Å; L101-A104 PolarHBondContact O-N 2.75Å; L101-F105 WeakPolarHBondContact O-CB 3.46Å; L101-F105 PolarHBondContact O-N 3.23Å; L101-F169 HydrophobicContact CD2-CE1 4.38Å; L101-F169 WeakPolarHBondContact O-CE1 3.07Å; L101-I170 HydrophobicContact CB-CG1 4.11Å; L101-I170 HydrophobicContact CD1-CG2 4.3Å; L101-A173 HydrophobicContact CD1-CB 4.06Å; L101-A173 HydrophobicContact CD2-CB 3.55Å; L101-A173 HydrophobicContact CG-CB 4.45Å; L101-K174 HydrophobicContact CD1-CG 4.13Å |
| 102 | K | 92.6 | Very high | 90.8 | Very high | 92 Ų | 92 | 56.3 Ų | 56.3 | 40% | 0.4 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 173.3 | -76 | 175 | -177.6 | 170.3 | 0 | 111.8 | E98 Q99 F105 S106 L166 I170 | E98-K102 HydrophobicContact CG-CD 4.39Å; E98-K102 WeakPolarHBondContact O-CB 3.48Å; E98-K102 WeakPolarHBondContact O-CG 3.33Å; E98-K102 PolarHBondContact O-N 2.87Å; E98-K102 VanDerWaalsContact OE1-CE 3.32Å; E98-K102 WeakPolarHBondContact OE1-CE 3.04Å; E98-K102 IonicContact OE1-NZ 3.48Å; E98-K102 PolarHBondContact OE1-NZ 3.29Å; Q99-K102 PolarHBondContact O-N 3.31Å; K102-F105 WeakPolarHBondContact O-CB 3.16Å; K102-F105 PolarHBondContact O-N 3.24Å; K102-S106 PolarHBondContact O-N 2.86Å; K102-S106 VanDerWaalsContact O-N 3.08Å; K102-L166 HydrophobicContact CG-CD1 4.1Å; K102-L166 HydrophobicContact CG-CD2 4.25Å; K102-I170 HydrophobicContact CG-CD1 4.06Å |
| 103 | W | 91 | Very high | 91.3 | Very high | 51 Ų | 51 | 58.3 Ų | 58.3 | 19% | 0.193 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 175 | -179.9 | 80.9 | 0 | 0 | 0 | 111.8 | V68 T71 F72 V91 T92 Q99 K100 F105 S106 M107 | V68-W103 HydrophobicContact CG1-CH2 4.41Å; V68-W103 HydrophobicContact CG1-CZ2 4.36Å; T71-W103 WeakPolarHBondContact OG1-CZ2 3.34Å; F72-W103 AromaticContact CD2-CZ2 3.99Å; F72-W103 HydrophobicContact CD2-CZ2 3.99Å; F72-W103 HydrophobicContact CE2-CH2 4.31Å; F72-W103 AromaticContact CE2-CZ2 3.55Å; F72-W103 HydrophobicContact CE2-CZ2 3.55Å; V91-W103 HydrophobicContact CG1-CB 3.84Å; V91-W103 HydrophobicContact CG1-CG 4.23Å; T92-W103 HydrophobicContact CG2-CD2 3.74Å; T92-W103 HydrophobicContact CG2-CE3 3.64Å; T92-W103 HydrophobicContact CG2-CG 4.49Å; T92-W103 HydrophobicContact CG2-CH2 3.79Å; T92-W103 HydrophobicContact CG2-CZ2 3.95Å; T92-W103 HydrophobicContact CG2-CZ3 3.64Å; Q99-W103 WeakPolarHBondContact O-CB 3.41Å; Q99-W103 PolarHBondContact O-N 3.47Å; K100-W103 PolarHBondContact O-N 3.26Å; W103-F105 VanDerWaalsContact C-N 3.3Å; W103-F105 PolarHBondContact O-N 3.43Å; W103-S106 PolarHBondContact O-N 2.94Å; W103-S106 VanDerWaalsContact O-N 3.15Å; W103-S106 PolarHBondContact O-OG 3.11Å; W103-M107 HydrophobicContact CE3-CE 4.23Å; W103-M107 HydrophobicContact CH2-CE 3.02Å; W103-M107 HydrophobicContact CZ2-CE 3.69Å; W103-M107 HydrophobicContact CZ3-CE 3.33Å; W103-M107 PolarHBondContact O-N 2.9Å; W103-M107 VanDerWaalsContact O-N 3.15Å |
| 104 | A | 91.5 | Very high | 91.8 | Very high | 21 Ų | 21 | 57.1 Ų | 57.1 | 17% | 0.174 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.4 | -43.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | K100 L101 S106 M107 Y108 F169 | K100-A104 WeakPolarHBondContact O-CB 3.29Å; K100-A104 PolarHBondContact O-N 2.94Å; L101-A104 PolarHBondContact O-N 2.75Å; A104-S106 VanDerWaalsContact C-N 3.33Å; A104-S106 PolarHBondContact O-N 2.93Å; A104-M107 WeakPolarHBondContact O-CA 3.3Å; A104-M107 VanDerWaalsContact O-CB 3.23Å; A104-M107 WeakPolarHBondContact O-CB 3.45Å; A104-M107 PolarHBondContact O-N 3.25Å; A104-Y108 VanDerWaalsContact O-CD2 3.3Å; A104-Y108 WeakPolarHBondContact O-CD2 3.44Å; A104-Y108 PolarHBondContact O-N 3.14Å; A104-F169 HydrophobicContact CB-CE1 4.22Å; A104-F169 HydrophobicContact CB-CZ 4.29Å |
| 105 | F | 93.6 | Very high | 92.2 | Very high | 13 Ų | 13 | 56.5 Ų | 56.5 | 6% | 0.057 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55 | -48.1 | 174.7 | -175.8 | -85.4 | 0 | 0 | 0 | 111.7 | L101 K102 W103 M107 Y108 D109 G114 I116 L164 L166 F169 | L101-F105 WeakPolarHBondContact O-CB 3.46Å; L101-F105 PolarHBondContact O-N 3.23Å; K102-F105 WeakPolarHBondContact O-CB 3.16Å; K102-F105 PolarHBondContact O-N 3.24Å; W103-F105 VanDerWaalsContact C-N 3.3Å; W103-F105 PolarHBondContact O-N 3.43Å; F105-M107 PolarHBondContact O-N 3.04Å; F105-M107 VanDerWaalsContact O-N 3.17Å; F105-Y108 PolarHBondContact O-N 3.46Å; F105-D109 HydrophobicContact CD1-CB 4.2Å; F105-D109 HydrophobicContact CE1-CB 3.9Å; F105-D109 WeakPolarHBondContact O-CB 3.31Å; F105-D109 PolarHBondContact O-N 3.17Å; F105-G114 WeakPolarHBondContact CZ-O 3.19Å; F105-I116 HydrophobicContact CD2-CD1 3.37Å; F105-I116 HydrophobicContact CD2-CG1 3.96Å; F105-I116 HydrophobicContact CE1-CG1 4.49Å; F105-I116 HydrophobicContact CE2-CD1 3.45Å; F105-I116 VanDerWaalsContact CE2-CD1 3.45Å; F105-I116 HydrophobicContact CE2-CG1 3.61Å; F105-I116 HydrophobicContact CG-CD1 4.11Å; F105-I116 HydrophobicContact CZ-CD1 4.22Å; F105-I116 HydrophobicContact CZ-CG1 3.9Å; F105-L164 WeakPolarHBondContact CE2-O 3.38Å; F105-L166 HydrophobicContact CB-CD1 3.65Å; F105-L166 HydrophobicContact CD1-CD1 4.01Å; F105-L166 HydrophobicContact CD2-CB 4.33Å; F105-L166 HydrophobicContact CD2-CD1 3.83Å; F105-L166 HydrophobicContact CE1-CB 4.43Å; F105-L166 HydrophobicContact CE2-CB 4.17Å; F105-L166 HydrophobicContact CG-CD1 3.55Å; F105-L166 HydrophobicContact CZ-CB 4.23Å; F105-F169 HydrophobicContact CB-CD1 4.03Å; F105-F169 HydrophobicContact CB-CE1 4.21Å; F105-F169 HydrophobicContact CD2-CB 3.58Å; F105-F169 HydrophobicContact CD2-CD1 4.03Å; F105-F169 HydrophobicContact CD2-CD2 4.17Å; F105-F169 AromaticContact CD2-CG 3.67Å; F105-F169 HydrophobicContact CD2-CG 3.67Å; F105-F169 HydrophobicContact CE2-CB 4.02Å; F105-F169 HydrophobicContact CE2-CG 4.48Å |
| 106 | S | 92.4 | Very high | 92.9 | Very high | 46 Ų | 46 | 56 Ų | 56 | 32% | 0.322 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62 | -22.7 | 176.7 | 62.8 | 0 | 0 | 0 | 0 | 114.2 | R70 K102 W103 A104 D109 | R70-S106 PolarHBondContact NH2-O 3.4Å; K102-S106 PolarHBondContact O-N 2.86Å; K102-S106 VanDerWaalsContact O-N 3.08Å; W103-S106 PolarHBondContact O-N 2.94Å; W103-S106 VanDerWaalsContact O-N 3.15Å; W103-S106 PolarHBondContact O-OG 3.11Å; A104-S106 VanDerWaalsContact C-N 3.33Å; A104-S106 PolarHBondContact O-N 2.93Å; S106-D109 VanDerWaalsContact O-O 3.11Å |
| 107 | M | 92.6 | Very high | 93.3 | Very high | 13 Ų | 13 | 50.4 Ų | 50.4 | 6% | 0.064 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -72.6 | -39.1 | 172.1 | -169.6 | -171.9 | -62.2 | 0 | 0 | 112.5 | F64 H67 V68 R70 T71 W103 A104 F105 | F64-M107 HydrophobicContact CE2-SD 4.06Å; F64-M107 HydrophobicContact CZ-SD 4.29Å; H67-M107 HydrophobicContact CB-CG 4.38Å; V68-M107 HydrophobicContact CG2-CE 3.75Å; V68-M107 HydrophobicContact CG2-SD 4.19Å; R70-M107 PolarHBondContact NH2-O 2.97Å; T71-M107 HydrophobicContact CG2-CB 3.72Å; T71-M107 HydrophobicContact CG2-CG 4.08Å; W103-M107 HydrophobicContact CE3-CE 4.23Å; W103-M107 HydrophobicContact CH2-CE 3.02Å; W103-M107 HydrophobicContact CZ2-CE 3.69Å; W103-M107 HydrophobicContact CZ3-CE 3.33Å; W103-M107 PolarHBondContact O-N 2.9Å; W103-M107 VanDerWaalsContact O-N 3.15Å; A104-M107 WeakPolarHBondContact O-CA 3.3Å; A104-M107 VanDerWaalsContact O-CB 3.23Å; A104-M107 WeakPolarHBondContact O-CB 3.45Å; A104-M107 PolarHBondContact O-N 3.25Å; F105-M107 PolarHBondContact O-N 3.04Å; F105-M107 VanDerWaalsContact O-N 3.17Å |
| 108 | Y | 94.4 | Very high | 93.8 | Very high | 6 Ų | 6 | 50.6 Ų | 50.6 | 2% | 0.024 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -79.6 | -33.1 | 178.8 | -78.3 | -86.2 | 0 | 0 | 0 | 112.8 | A104 F105 L110 I116 E120 M121 I124 F169 L183 | A104-Y108 VanDerWaalsContact O-CD2 3.3Å; A104-Y108 WeakPolarHBondContact O-CD2 3.44Å; A104-Y108 PolarHBondContact O-N 3.14Å; F105-Y108 PolarHBondContact O-N 3.46Å; Y108-L110 PolarHBondContact O-N 3.14Å; Y108-L110 VanDerWaalsContact O-N 3.14Å; Y108-I116 VanDerWaalsContact CB-CD1 3.47Å; Y108-I116 HydrophobicContact CG-CD1 4.31Å; Y108-E120 VanDerWaalsContact O-CB 3.32Å; Y108-E120 WeakPolarHBondContact O-CB 3.33Å; Y108-M121 HydrophobicContact CD1-CE 3.95Å; Y108-M121 HydrophobicContact CD1-SD 3.57Å; Y108-M121 VanDerWaalsContact CD1-SD 3.57Å; Y108-M121 HydrophobicContact CE1-CE 4.16Å; Y108-M121 HydrophobicContact CE1-SD 3.32Å; Y108-M121 WeakPolarHBondContact CE1-SD 3.3Å; Y108-I124 HydrophobicContact CD1-CB 3.68Å; Y108-I124 HydrophobicContact CD1-CG1 3.76Å; Y108-I124 HydrophobicContact CD1-CG2 3.86Å; Y108-I124 HydrophobicContact CE1-CB 3.54Å; Y108-I124 HydrophobicContact CE1-CG1 4.15Å; Y108-I124 HydrophobicContact CE1-CG2 3.37Å; Y108-I124 HydrophobicContact CE2-CG2 4.3Å; Y108-I124 HydrophobicContact CG-CG1 4.29Å; Y108-F169 HydrophobicContact CD2-CE2 4.33Å; Y108-F169 HydrophobicContact CD2-CZ 4.26Å; Y108-L183 HydrophobicContact CE2-CD2 3.8Å |
| 109 | D | 96.2 | Very high | 94.3 | Very high | 11 Ų | 11 | 49.1 Ų | 49.1 | 6% | 0.059 | 28% | 0.275 | C | S | . | . | trans | -76.3 | 94.5 | 173.5 | -177.4 | 1.5 | 0 | 0 | 0 | 108.7 | R70 F105 S106 G112 N113 G114 I116 | R70-D109 PolarHBondContact NH1-O 3.32Å; R70-D109 PolarHBondContact NH2-O 3.01Å; R70-D109 VanDerWaalsContact NH2-O 3.08Å; F105-D109 HydrophobicContact CD1-CB 4.2Å; F105-D109 HydrophobicContact CE1-CB 3.9Å; F105-D109 WeakPolarHBondContact O-CB 3.31Å; F105-D109 PolarHBondContact O-N 3.17Å; S106-D109 VanDerWaalsContact O-O 3.11Å; D109-G112 WeakPolarHBondContact OD1-CA 3.08Å; D109-G112 PolarHBondContact OD1-N 2.88Å; D109-N113 PolarHBondContact OD1-N 2.92Å; D109-N113 VanDerWaalsContact OD1-N 3.15Å; D109-G114 VanDerWaalsContact OD2-CA 3.29Å; D109-G114 WeakPolarHBondContact OD2-CA 2.99Å; D109-G114 PolarHBondContact OD2-N 2.97Å; D109-I116 HydrophobicContact CB-CG1 4.3Å | ||
| 110 | L | 95.2 | Very high | 94.7 | Very high | 39 Ų | 39 | 45.9 Ų | 45.9 | 20% | 0.204 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -77.5 | -37.7 | -171.2 | -62.7 | -175.1 | 0 | 0 | 0 | 111.3 | R70 Y108 E120 E123 I124 | R70-L110 PolarHBondContact NH1-O 3.08Å; R70-L110 VanDerWaalsContact NH1-O 3.1Å; Y108-L110 PolarHBondContact O-N 3.14Å; Y108-L110 VanDerWaalsContact O-N 3.14Å; L110-E120 WeakPolarHBondContact CA-OE1 3.38Å; L110-E120 HydrophobicContact CB-CG 3.92Å; L110-E120 WeakPolarHBondContact CB-OE1 3.13Å; L110-E120 HydrophobicContact CD1-CB 4.14Å; L110-E120 HydrophobicContact CD1-CG 3.98Å; L110-E120 HydrophobicContact CG-CB 4Å; L110-E120 HydrophobicContact CG-CG 3.86Å; L110-E120 PolarHBondContact N-OE1 2.99Å; L110-E123 HydrophobicContact CD1-CB 4.19Å; L110-E123 HydrophobicContact CD1-CG 4.16Å; L110-E123 WeakPolarHBondContact CD1-OE2 3.47Å; L110-I124 HydrophobicContact CD2-CD1 3.89Å; L110-I124 HydrophobicContact CD2-CG1 4.43Å |
| 111 | D | 95.2 | Very high | 95 | Very high | 107 Ų | 107 | 42.4 Ų | 42.4 | 57% | 0.572 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -90.7 | -10 | 179.7 | 75.1 | 6.2 | 0 | 0 | 0 | 113.9 | N113 E120 | D111-N113 VanDerWaalsContact C-N 3.34Å; D111-N113 WeakPolarHBondContact OD1-CB 3.4Å; D111-N113 PolarHBondContact OD1-N 2.84Å; D111-N113 PolarHBondContact OD1-ND2 3.4Å; D111-N113 PolarHBondContact OD2-ND2 2.86Å; D111-E120 PolarHBondContact N-OE1 2.88Å; D111-E120 VanDerWaalsContact N-OE1 3.16Å |
| 112 | G | 94.8 | Very high | 95.2 | Very high | 56 Ų | 56 | 43.9 Ų | 43.9 | 58% | 0.577 | 25% | 0.253 | S | S | * | . | trans | 75.1 | 21.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D109 G114 | D109-G112 WeakPolarHBondContact OD1-CA 3.08Å; D109-G112 PolarHBondContact OD1-N 2.88Å; G112-G114 PolarHBondContact O-N 2.85Å | ||
| 113 | N | 96.7 | Very high | 95.4 | Very high | 85 Ų | 85 | 43.5 Ų | 43.5 | 46% | 0.455 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -78.9 | -3.7 | -176.6 | 75 | 35.5 | 0 | 0 | 0 | 113.7 | D109 D111 Y115 | D109-N113 PolarHBondContact OD1-N 2.92Å; D109-N113 VanDerWaalsContact OD1-N 3.15Å; D111-N113 VanDerWaalsContact C-N 3.34Å; D111-N113 WeakPolarHBondContact OD1-CB 3.4Å; D111-N113 PolarHBondContact OD1-N 2.84Å; D111-N113 PolarHBondContact OD1-ND2 3.4Å; D111-N113 PolarHBondContact OD2-ND2 2.86Å; N113-Y115 WeakPolarHBondContact OD1-CA 3.49Å; N113-Y115 VanDerWaalsContact OD1-CB 3.3Å; N113-Y115 WeakPolarHBondContact OD1-CB 3.44Å; N113-Y115 PolarHBondContact OD1-N 3.06Å; N113-Y115 PolarHBondContact OD1-O 2.89Å; N113-Y115 VanDerWaalsContact OD1-O 3.11Å |
| 114 | G | 97 | Very high | 95.4 | Very high | 34 Ų | 34 | 41 Ų | 41 | 35% | 0.351 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 88.4 | 7.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | F105 D109 G112 | F105-G114 WeakPolarHBondContact CZ-O 3.19Å; D109-G114 VanDerWaalsContact OD2-CA 3.29Å; D109-G114 WeakPolarHBondContact OD2-CA 2.99Å; D109-G114 PolarHBondContact OD2-N 2.97Å; G112-G114 PolarHBondContact O-N 2.85Å |
| 115 | Y | 98.2 | Very high | 95.5 | Very high | 93 Ų | 93 | 40.1 Ų | 40.1 | 37% | 0.365 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 141 | 176.8 | -61.9 | -88.6 | 0 | 0 | 0 | 111 | N113 K163 L164 | N113-Y115 WeakPolarHBondContact OD1-CA 3.49Å; N113-Y115 VanDerWaalsContact OD1-CB 3.3Å; N113-Y115 WeakPolarHBondContact OD1-CB 3.44Å; N113-Y115 PolarHBondContact OD1-N 3.06Å; N113-Y115 PolarHBondContact OD1-O 2.89Å; N113-Y115 VanDerWaalsContact OD1-O 3.11Å; Y115-K163 HydrophobicContact CD1-CD 3.62Å; Y115-K163 HydrophobicContact CD1-CG 3.98Å; Y115-K163 HydrophobicContact CD2-CD 4.35Å; Y115-K163 HydrophobicContact CE1-CD 4.25Å; Y115-K163 HydrophobicContact CG-CD 3.68Å; Y115-K163 HydrophobicContact CG-CG 4.36Å; Y115-L164 WeakPolarHBondContact CA-O 3.42Å |
| 116 | I | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 113.5 | 172.1 | -55.4 | 159.8 | 0 | 0 | 0 | 108.8 | F105 Y108 D109 E120 M121 K163 L164 F169 | F105-I116 HydrophobicContact CD2-CD1 3.37Å; F105-I116 HydrophobicContact CD2-CG1 3.96Å; F105-I116 HydrophobicContact CE1-CG1 4.49Å; F105-I116 HydrophobicContact CE2-CD1 3.45Å; F105-I116 VanDerWaalsContact CE2-CD1 3.45Å; F105-I116 HydrophobicContact CE2-CG1 3.61Å; F105-I116 HydrophobicContact CG-CD1 4.11Å; F105-I116 HydrophobicContact CZ-CD1 4.22Å; F105-I116 HydrophobicContact CZ-CG1 3.9Å; Y108-I116 VanDerWaalsContact CB-CD1 3.47Å; Y108-I116 HydrophobicContact CG-CD1 4.31Å; D109-I116 HydrophobicContact CB-CG1 4.3Å; I116-E120 HydrophobicContact CG2-CB 4.27Å; I116-M121 HydrophobicContact CG2-CB 4.1Å; I116-M121 HydrophobicContact CG2-CE 4.04Å; I116-K163 CarbonylContact O-C 3.36Å; I116-K163 VanDerWaalsContact O-CA 3.3Å; I116-K163 WeakPolarHBondContact O-CA 3Å; I116-L164 HydrophobicContact CB-CB 4.28Å; I116-L164 PolarHBondContact N-O 2.7Å; I116-L164 PolarHBondContact O-N 2.69Å; I116-F169 HydrophobicContact CD1-CD2 3.63Å; I116-F169 HydrophobicContact CD1-CE2 3.9Å; I116-F169 HydrophobicContact CD1-CG 4.33Å |
| 117 | S | 97.9 | Very high | 95.4 | Very high | 44 Ų | 44 | 40.8 Ų | 40.8 | 31% | 0.308 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 162.7 | 171.3 | 71.1 | 0 | 0 | 0 | 0 | 112 | G119 E120 M121 | S117-G119 PolarHBondContact O-N 3.3Å; S117-E120 VanDerWaalsContact CB-OE2 3.26Å; S117-E120 WeakPolarHBondContact CB-OE2 3.45Å; S117-E120 PolarHBondContact N-OE2 2.76Å; S117-E120 PolarHBondContact O-N 3.2Å; S117-E120 VanDerWaalsContact OG-CG 3.23Å; S117-E120 WeakPolarHBondContact OG-CG 3.46Å; S117-E120 PolarHBondContact OG-N 3.29Å; S117-E120 PolarHBondContact OG-OE2 3.01Å; S117-M121 PolarHBondContact O-N 3.31Å |
| 118 | R | 96.7 | Very high | 95.1 | Very high | 103 Ų | 103 | 40.5 Ų | 40.5 | 39% | 0.389 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.1 | -36.2 | 173.6 | -77.8 | 177.9 | 164.3 | -96.4 | 1.6 | 113.1 | L122 D150 F153 | R118-L122 VanDerWaalsContact O-CB 3.31Å; R118-L122 WeakPolarHBondContact O-CB 3.49Å; R118-L122 PolarHBondContact O-N 3.03Å; R118-D150 IonicContact CZ-OD1 2.67Å; R118-D150 IonicContact NH1-OD1 2.68Å; R118-D150 PolarHBondContact NH1-OD1 3.05Å; R118-F153 HydrophobicContact CB-CE2 4.3Å; R118-F153 HydrophobicContact CB-CZ 4.22Å; R118-F153 HydrophobicContact CG-CD1 3.78Å; R118-F153 HydrophobicContact CG-CD2 3.86Å; R118-F153 HydrophobicContact CG-CE1 3.59Å; R118-F153 HydrophobicContact CG-CE2 3.68Å; R118-F153 HydrophobicContact CG-CG 3.91Å; R118-F153 HydrophobicContact CG-CZ 3.55Å |
| 119 | G | 97.6 | Very high | 94.8 | Very high | 49 Ų | 49 | 41.4 Ų | 41.4 | 51% | 0.505 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.5 | -45.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | S117 L122 E123 | S117-G119 PolarHBondContact O-N 3.3Å; G119-L122 PolarHBondContact O-N 3.31Å; G119-E123 PolarHBondContact O-N 2.85Å |
| 120 | E | 97.6 | Very high | 94.4 | Very high | 15 Ų | 15 | 45.6 Ų | 45.6 | 7% | 0.07 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 178.9 | -67.6 | 169 | 119.5 | 0 | 0 | 112.4 | Y108 L110 D111 I116 S117 L122 E123 I124 | Y108-E120 VanDerWaalsContact O-CB 3.32Å; Y108-E120 WeakPolarHBondContact O-CB 3.33Å; L110-E120 WeakPolarHBondContact CA-OE1 3.38Å; L110-E120 HydrophobicContact CB-CG 3.92Å; L110-E120 WeakPolarHBondContact CB-OE1 3.13Å; L110-E120 HydrophobicContact CD1-CB 4.14Å; L110-E120 HydrophobicContact CD1-CG 3.98Å; L110-E120 HydrophobicContact CG-CB 4Å; L110-E120 HydrophobicContact CG-CG 3.86Å; L110-E120 PolarHBondContact N-OE1 2.99Å; D111-E120 PolarHBondContact N-OE1 2.88Å; D111-E120 VanDerWaalsContact N-OE1 3.16Å; I116-E120 HydrophobicContact CG2-CB 4.27Å; S117-E120 VanDerWaalsContact CB-OE2 3.26Å; S117-E120 WeakPolarHBondContact CB-OE2 3.45Å; S117-E120 PolarHBondContact N-OE2 2.76Å; S117-E120 PolarHBondContact O-N 3.2Å; S117-E120 VanDerWaalsContact OG-CG 3.23Å; S117-E120 WeakPolarHBondContact OG-CG 3.46Å; S117-E120 PolarHBondContact OG-N 3.29Å; S117-E120 PolarHBondContact OG-OE2 3.01Å; E120-L122 VanDerWaalsContact C-N 3.32Å; E120-L122 PolarHBondContact O-N 3.43Å; E120-E123 PolarHBondContact O-N 3.27Å; E120-I124 PolarHBondContact O-N 3.18Å |
| 121 | M | 95.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.9 | -48 | 172.7 | -179.5 | 66.6 | 65 | 0 | 0 | 111.4 | Y108 I116 S117 E123 I124 V125 T149 I152 F153 L164 | Y108-M121 HydrophobicContact CD1-CE 3.95Å; Y108-M121 HydrophobicContact CD1-SD 3.57Å; Y108-M121 VanDerWaalsContact CD1-SD 3.57Å; Y108-M121 HydrophobicContact CE1-CE 4.16Å; Y108-M121 HydrophobicContact CE1-SD 3.32Å; Y108-M121 WeakPolarHBondContact CE1-SD 3.3Å; I116-M121 HydrophobicContact CG2-CB 4.1Å; I116-M121 HydrophobicContact CG2-CE 4.04Å; S117-M121 PolarHBondContact O-N 3.31Å; M121-E123 VanDerWaalsContact C-N 3.3Å; M121-E123 PolarHBondContact O-N 3.35Å; M121-I124 PolarHBondContact O-N 3.06Å; M121-V125 HydrophobicContact CG-CG2 4.3Å; M121-V125 WeakPolarHBondContact O-CB 3.32Å; M121-V125 WeakPolarHBondContact O-CG2 3.3Å; M121-V125 PolarHBondContact O-N 3.47Å; M121-V125 HydrophobicContact SD-CG2 4.13Å; M121-T149 HydrophobicContact CB-CG2 4.06Å; M121-T149 HydrophobicContact CG-CG2 3.75Å; M121-I152 HydrophobicContact CE-CG2 3.71Å; M121-I152 HydrophobicContact SD-CD1 3.82Å; M121-I152 HydrophobicContact SD-CG2 4.11Å; M121-F153 HydrophobicContact CB-CE2 3.69Å; M121-F153 HydrophobicContact CB-CZ 4.5Å; M121-F153 HydrophobicContact CE-CE2 4.47Å; M121-F153 HydrophobicContact CG-CD2 4.42Å; M121-F153 HydrophobicContact CG-CE2 3.91Å; M121-L164 HydrophobicContact CE-CD1 3.91Å |
| 122 | L | 95.6 | Very high | 93.3 | Very high | 44 Ų | 44 | 39.2 Ų | 39.2 | 23% | 0.23 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.9 | -41 | -179.7 | -179 | 61.3 | 0 | 0 | 0 | 111.6 | R118 G119 E120 V125 Q126 P145 E146 T149 | R118-L122 VanDerWaalsContact O-CB 3.31Å; R118-L122 WeakPolarHBondContact O-CB 3.49Å; R118-L122 PolarHBondContact O-N 3.03Å; G119-L122 PolarHBondContact O-N 3.31Å; E120-L122 VanDerWaalsContact C-N 3.32Å; E120-L122 PolarHBondContact O-N 3.43Å; L122-V125 PolarHBondContact O-N 3.47Å; L122-Q126 HydrophobicContact CD1-CG 4.11Å; L122-Q126 HydrophobicContact CG-CG 4.29Å; L122-Q126 WeakPolarHBondContact O-CB 3.23Å; L122-Q126 WeakPolarHBondContact O-CG 3.32Å; L122-Q126 PolarHBondContact O-N 3.3Å; L122-P145 HydrophobicContact CD1-CB 3.69Å; L122-E146 HydrophobicContact CD1-CG 4.05Å; L122-T149 HydrophobicContact CB-CG2 4.35Å |
| 123 | E | 95.7 | Very high | 92.3 | Very high | 83 Ų | 83 | 40.6 Ų | 40.6 | 39% | 0.388 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.9 | -48.7 | 179.5 | -177.2 | 166.8 | 162.9 | 0 | 0 | 112.1 | H67 L110 G119 E120 M121 Q126 A127 | H67-E123 IonicContact CE1-OE1 3.78Å; H67-E123 PolarHBondContact CE1-OE1 3.43Å; H67-E123 VanDerWaalsContact CE1-OE1 3.25Å; H67-E123 IonicContact NE2-OE1 2.68Å; L110-E123 HydrophobicContact CD1-CB 4.19Å; L110-E123 HydrophobicContact CD1-CG 4.16Å; L110-E123 WeakPolarHBondContact CD1-OE2 3.47Å; G119-E123 PolarHBondContact O-N 2.85Å; E120-E123 PolarHBondContact O-N 3.27Å; M121-E123 VanDerWaalsContact C-N 3.3Å; M121-E123 PolarHBondContact O-N 3.35Å; E123-Q126 PolarHBondContact O-N 3.23Å; E123-A127 PolarHBondContact O-N 3.19Å |
| 124 | I | 92.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.9 | -45.4 | 176.6 | -60.7 | -55.6 | 0 | 0 | 0 | 111 | H67 Y108 L110 E120 M121 Q126 A127 I128 | H67-I124 HydrophobicContact CB-CD1 3.69Å; H67-I124 VanDerWaalsContact CD2-CD1 3.43Å; H67-I124 WeakPolarHBondContact CD2-CD1 3.5Å; H67-I124 WeakPolarHBondContact ND1-CD1 3.43Å; Y108-I124 HydrophobicContact CD1-CB 3.68Å; Y108-I124 HydrophobicContact CD1-CG1 3.76Å; Y108-I124 HydrophobicContact CD1-CG2 3.86Å; Y108-I124 HydrophobicContact CE1-CB 3.54Å; Y108-I124 HydrophobicContact CE1-CG1 4.15Å; Y108-I124 HydrophobicContact CE1-CG2 3.37Å; Y108-I124 HydrophobicContact CE2-CG2 4.3Å; Y108-I124 HydrophobicContact CG-CG1 4.29Å; L110-I124 HydrophobicContact CD2-CD1 3.89Å; L110-I124 HydrophobicContact CD2-CG1 4.43Å; E120-I124 PolarHBondContact O-N 3.18Å; M121-I124 PolarHBondContact O-N 3.06Å; I124-Q126 VanDerWaalsContact C-N 3.3Å; I124-Q126 PolarHBondContact O-N 3.4Å; I124-A127 WeakPolarHBondContact O-CB 3.46Å; I124-A127 PolarHBondContact O-N 3.2Å; I124-A127 VanDerWaalsContact O-N 3.16Å; I124-I128 HydrophobicContact CG2-CD1 3.85Å; I124-I128 HydrophobicContact CG2-CG1 4.4Å; I124-I128 WeakPolarHBondContact O-CG1 3.47Å; I124-I128 PolarHBondContact O-N 3.48Å |
| 125 | V | 91.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.5 | -40.5 | 178.9 | 176 | 0 | 0 | 0 | 0 | 110.7 | M121 L122 I128 Y129 P145 R148 I152 | M121-V125 HydrophobicContact CG-CG2 4.3Å; M121-V125 WeakPolarHBondContact O-CB 3.32Å; M121-V125 WeakPolarHBondContact O-CG2 3.3Å; M121-V125 PolarHBondContact O-N 3.47Å; M121-V125 HydrophobicContact SD-CG2 4.13Å; L122-V125 PolarHBondContact O-N 3.47Å; V125-I128 PolarHBondContact O-N 3.01Å; V125-Y129 HydrophobicContact CG1-CD2 3.8Å; V125-Y129 HydrophobicContact CG1-CE2 3.59Å; V125-Y129 WeakPolarHBondContact O-CD2 3.37Å; V125-Y129 PolarHBondContact O-N 2.86Å; V125-P145 HydrophobicContact CB-CB 4.47Å; V125-P145 HydrophobicContact CG1-CB 3.84Å; V125-R148 HydrophobicContact CG1-CB 4.17Å; V125-R148 HydrophobicContact CG1-CG 4.18Å; V125-I152 HydrophobicContact CG2-CD1 4.41Å |
| 126 | Q | 92.7 | Very high | 88.6 | Confident | 74 Ų | 74 | 38.5 Ų | 38.5 | 35% | 0.346 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62 | -42.7 | 174.6 | -77.6 | 176.9 | -8 | 0 | 0 | 112.3 | L122 E123 I124 I128 Y129 K130 P145 | L122-Q126 HydrophobicContact CD1-CG 4.11Å; L122-Q126 HydrophobicContact CG-CG 4.29Å; L122-Q126 WeakPolarHBondContact O-CB 3.23Å; L122-Q126 WeakPolarHBondContact O-CG 3.32Å; L122-Q126 PolarHBondContact O-N 3.3Å; E123-Q126 PolarHBondContact O-N 3.23Å; I124-Q126 VanDerWaalsContact C-N 3.3Å; I124-Q126 PolarHBondContact O-N 3.4Å; Q126-I128 VanDerWaalsContact C-N 3.33Å; Q126-Y129 PolarHBondContact O-N 3.21Å; Q126-K130 WeakPolarHBondContact O-CG 3.46Å; Q126-K130 PolarHBondContact O-N 3.37Å; Q126-P145 HydrophobicContact CB-CB 4.45Å; Q126-P145 HydrophobicContact CB-CG 4.47Å; Q126-P145 HydrophobicContact CG-CB 3.53Å; Q126-P145 HydrophobicContact CG-CG 3.75Å |
| 127 | A | 91.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K63 F64 E123 I124 K130 M131 | K63-A127 HydrophobicContact CB-CB 3.84Å; F64-A127 HydrophobicContact CB-CB 4.27Å; E123-A127 PolarHBondContact O-N 3.19Å; I124-A127 WeakPolarHBondContact O-CB 3.46Å; I124-A127 PolarHBondContact O-N 3.2Å; I124-A127 VanDerWaalsContact O-N 3.16Å; A127-K130 PolarHBondContact O-N 3.3Å; A127-M131 PolarHBondContact O-N 2.83Å; A127-M131 VanDerWaalsContact O-N 3.09Å |
| 128 | I | 87.8 | Confident | 86.4 | Confident | 6 Ų | 6 | 48.2 Ų | 48.2 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 175.6 | -68 | 169 | 0 | 0 | 0 | 110.9 | F64 I124 V125 Q126 K130 M131 V132 C185 | F64-I128 HydrophobicContact CD2-CD1 4.47Å; F64-I128 HydrophobicContact CD2-CG1 3.57Å; F64-I128 HydrophobicContact CE2-CD1 4.04Å; F64-I128 HydrophobicContact CE2-CG1 3.57Å; I124-I128 HydrophobicContact CG2-CD1 3.85Å; I124-I128 HydrophobicContact CG2-CG1 4.4Å; I124-I128 WeakPolarHBondContact O-CG1 3.47Å; I124-I128 PolarHBondContact O-N 3.48Å; V125-I128 PolarHBondContact O-N 3.01Å; Q126-I128 VanDerWaalsContact C-N 3.33Å; I128-K130 VanDerWaalsContact C-N 3.33Å; I128-K130 PolarHBondContact O-N 2.94Å; I128-M131 WeakPolarHBondContact O-CB 3.45Å; I128-M131 PolarHBondContact O-N 2.84Å; I128-M131 VanDerWaalsContact O-N 3.11Å; I128-V132 WeakPolarHBondContact O-CG2 3.44Å; I128-V132 PolarHBondContact O-N 3.41Å; I128-C185 HydrophobicContact CG2-CB 3.4Å; I128-C185 VanDerWaalsContact CG2-CB 3.4Å; I128-C185 WeakPolarHBondContact CG2-SG 3.19Å |
| 129 | Y | 88.1 | Confident | 85.6 | Confident | 25 Ų | 25 | 46.3 Ų | 46.3 | 10% | 0.098 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.4 | -41.5 | -179.9 | -86.8 | -128.7 | 0 | 0 | 0 | 111.2 | V125 Q126 M131 V132 S133 M138 E142 P145 R148 | V125-Y129 HydrophobicContact CG1-CD2 3.8Å; V125-Y129 HydrophobicContact CG1-CE2 3.59Å; V125-Y129 WeakPolarHBondContact O-CD2 3.37Å; V125-Y129 PolarHBondContact O-N 2.86Å; Q126-Y129 PolarHBondContact O-N 3.21Å; Y129-M131 VanDerWaalsContact C-N 3.28Å; Y129-M131 PolarHBondContact O-N 3.3Å; Y129-V132 PolarHBondContact O-N 3Å; Y129-S133 WeakPolarHBondContact O-CA 3.27Å; Y129-S133 WeakPolarHBondContact O-CB 3.33Å; Y129-S133 PolarHBondContact O-N 3.5Å; Y129-S133 PolarHBondContact O-OG 3.26Å; Y129-M138 HydrophobicContact CE1-CG 3.95Å; Y129-M138 HydrophobicContact CE2-CE 4.41Å; Y129-E142 WeakPolarHBondContact CE1-O 3.05Å; Y129-E142 PolarHBondContact OH-O 3.4Å; Y129-P145 HydrophobicContact CD1-CG 3.76Å; Y129-P145 HydrophobicContact CD2-CG 4.42Å; Y129-P145 HydrophobicContact CE1-CG 4.31Å; Y129-P145 HydrophobicContact CG-CG 3.82Å; Y129-R148 WeakPolarHBondContact OH-CD 3.4Å; Y129-R148 PolarHBondContact OH-NH1 3.08Å |
| 130 | K | 87.6 | Confident | 84.8 | Confident | 99 Ų | 99 | 52 Ų | 52 | 43% | 0.43 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.6 | -34.8 | 174.1 | -74.5 | -174.1 | 175.9 | -167.6 | 0 | 113.3 | D60 Q126 A127 I128 | D60-K130 HydrophobicContact CB-CB 4.38Å; D60-K130 PolarHBondContact N-O 3Å; D60-K130 CarbonylContact O-C 3.59Å; Q126-K130 WeakPolarHBondContact O-CG 3.46Å; Q126-K130 PolarHBondContact O-N 3.37Å; A127-K130 PolarHBondContact O-N 3.3Å; I128-K130 VanDerWaalsContact C-N 3.33Å; I128-K130 PolarHBondContact O-N 2.94Å |
| 131 | M | 84.7 | Confident | 84.1 | Confident | 10 Ų | 10 | 55.3 Ų | 55.3 | 5% | 0.049 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.9 | -36.7 | 177.9 | -177.8 | 176.3 | 70.8 | 0 | 0 | 112.3 | F56 G59 D60 A61 F64 A127 I128 Y129 | F56-M131 HydrophobicContact CB-CG 4.22Å; F56-M131 HydrophobicContact CD1-CG 3.9Å; F56-M131 HydrophobicContact CD1-SD 4.3Å; F56-M131 HydrophobicContact CD2-CG 4.19Å; F56-M131 HydrophobicContact CD2-SD 3.86Å; F56-M131 HydrophobicContact CE1-CE 4.29Å; F56-M131 HydrophobicContact CE1-CG 4.3Å; F56-M131 HydrophobicContact CE1-SD 4.24Å; F56-M131 HydrophobicContact CE2-CE 4.48Å; F56-M131 HydrophobicContact CE2-SD 3.81Å; F56-M131 HydrophobicContact CG-CG 3.84Å; F56-M131 HydrophobicContact CG-SD 4.11Å; F56-M131 HydrophobicContact CZ-CE 4.13Å; F56-M131 HydrophobicContact CZ-SD 4Å; G59-M131 WeakPolarHBondContact CA-O 3.12Å; D60-M131 WeakPolarHBondContact O-CA 3.19Å; D60-M131 PolarHBondContact O-N 2.94Å; A61-M131 HydrophobicContact CB-CG 3.81Å; A61-M131 HydrophobicContact CB-SD 3.96Å; F64-M131 HydrophobicContact CB-SD 4.06Å; F64-M131 HydrophobicContact CD1-CE 3.82Å; F64-M131 HydrophobicContact CD1-SD 3.52Å; F64-M131 VanDerWaalsContact CD1-SD 3.52Å; F64-M131 HydrophobicContact CE1-CE 4.06Å; F64-M131 HydrophobicContact CE1-SD 4.24Å; F64-M131 HydrophobicContact CG-CE 4.13Å; F64-M131 HydrophobicContact CG-SD 3.94Å; A127-M131 PolarHBondContact O-N 2.83Å; A127-M131 VanDerWaalsContact O-N 3.09Å; I128-M131 WeakPolarHBondContact O-CB 3.45Å; I128-M131 PolarHBondContact O-N 2.84Å; I128-M131 VanDerWaalsContact O-N 3.11Å; Y129-M131 VanDerWaalsContact C-N 3.28Å; Y129-M131 PolarHBondContact O-N 3.3Å |
| 132 | V | 81.6 | Confident | 83.5 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -111.2 | -4.8 | -172 | -51.9 | 0 | 0 | 0 | 0 | 115 | I128 Y129 S134 V135 M136 M138 C185 | I128-V132 WeakPolarHBondContact O-CG2 3.44Å; I128-V132 PolarHBondContact O-N 3.41Å; Y129-V132 PolarHBondContact O-N 3Å; V132-S134 PolarHBondContact O-N 2.86Å; V132-V135 HydrophobicContact CB-CG2 4.09Å; V132-V135 WeakPolarHBondContact O-CG2 3.43Å; V132-V135 PolarHBondContact O-N 3.01Å; V132-M136 HydrophobicContact CB-CB 4.41Å; V132-M136 HydrophobicContact CB-CG 4.14Å; V132-M136 HydrophobicContact CB-SD 3.84Å; V132-M136 HydrophobicContact CG1-SD 4.17Å; V132-M136 HydrophobicContact CG2-CB 4.28Å; V132-M136 HydrophobicContact CG2-CG 4.41Å; V132-M136 HydrophobicContact CG2-SD 3.95Å; V132-M136 PolarHBondContact O-N 2.98Å; V132-M138 HydrophobicContact CG2-CE 3.55Å; V132-C185 HydrophobicContact CG1-CB 4.45Å |
| 133 | S | 74.2 | Confident | 83 | Confident | 86 Ų | 86 | 57 Ų | 57 | 60% | 0.601 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -25.6 | -171.9 | 53.8 | 0 | 0 | 0 | 0 | 114.3 | Y129 | Y129-S133 WeakPolarHBondContact O-CA 3.27Å; Y129-S133 WeakPolarHBondContact O-CB 3.33Å; Y129-S133 PolarHBondContact O-N 3.5Å; Y129-S133 PolarHBondContact O-OG 3.26Å |
| 134 | S | 70.4 | Confident | 82.7 | Confident | 66 Ų | 66 | 55.4 Ų | 55.4 | 46% | 0.462 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -16.1 | 177.5 | 52.9 | 0 | 0 | 0 | 0 | 113.7 | Y58 V132 | Y58-S134 VanDerWaalsContact C-OG 3.22Å; Y58-S134 WeakPolarHBondContact O-CB 3.37Å; Y58-S134 PolarHBondContact O-OG 2.79Å; V132-S134 PolarHBondContact O-N 2.86Å |
| 135 | V | 70.1 | Confident | 82.7 | Confident | 80 Ų | 80 | 56.3 Ų | 56.3 | 49% | 0.485 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | -15.8 | -169.8 | -70.2 | 0 | 0 | 0 | 0 | 113.9 | V132 | V132-V135 HydrophobicContact CB-CG2 4.09Å; V132-V135 WeakPolarHBondContact O-CG2 3.43Å; V132-V135 PolarHBondContact O-N 3.01Å |
| 136 | M | 72.6 | Confident | 82.8 | Confident | 21 Ų | 21 | 60.3 Ų | 60.3 | 10% | 0.103 | 32% | 0.319 | C | S | . | . | trans | -125.9 | 131.4 | -176.6 | -64.9 | -176.3 | 82.2 | 0 | 0 | 112.1 | V132 M138 D186 P187 A190 | V132-M136 HydrophobicContact CB-CB 4.41Å; V132-M136 HydrophobicContact CB-CG 4.14Å; V132-M136 HydrophobicContact CB-SD 3.84Å; V132-M136 HydrophobicContact CG1-SD 4.17Å; V132-M136 HydrophobicContact CG2-CB 4.28Å; V132-M136 HydrophobicContact CG2-CG 4.41Å; V132-M136 HydrophobicContact CG2-SD 3.95Å; V132-M136 PolarHBondContact O-N 2.98Å; M136-M138 HydrophobicContact CB-CE 4.05Å; M136-M138 HydrophobicContact SD-CE 4.43Å; M136-D186 WeakPolarHBondContact CE-O 3.32Å; M136-P187 HydrophobicContact SD-CB 4.2Å; M136-A190 HydrophobicContact CE-CB 4.14Å; M136-A190 HydrophobicContact CG-CB 4.37Å | ||
| 137 | K | 75.7 | Confident | 82.8 | Confident | 202 Ų | 202 | 60.8 Ų | 60.8 | 88% | 0.878 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -86.4 | 124.6 | 163.9 | -69.4 | -175.5 | 179.3 | 176.8 | 0 | 108.6 | ||
| 138 | M | 75.2 | Confident | 82.7 | Confident | 46 Ų | 46 | 61.1 Ų | 61.1 | 23% | 0.227 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -89.1 | 147.5 | 176.5 | -63.8 | -62.4 | 171.3 | 0 | 0 | 110.8 | Y129 V132 M136 | Y129-M138 HydrophobicContact CE1-CG 3.95Å; Y129-M138 HydrophobicContact CE2-CE 4.41Å; V132-M138 HydrophobicContact CG2-CE 3.55Å; M136-M138 HydrophobicContact CB-CE 4.05Å; M136-M138 HydrophobicContact SD-CE 4.43Å |
| 139 | P | 79.2 | Confident | 83 | Confident | 63 Ų | 63 | 61.1 Ų | 61.1 | 41% | 0.409 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 155 | 168 | -24.4 | 34.2 | 0 | 0 | 0 | 112.4 | D141 E142 S143 | P139-D141 VanDerWaalsContact C-N 3.3Å; P139-D141 VanDerWaalsContact CB-OD1 3.32Å; P139-D141 WeakPolarHBondContact CB-OD1 3.22Å; P139-D141 PolarHBondContact O-N 3.02Å; P139-E142 HydrophobicContact CB-CB 4.42Å; P139-E142 CarbonylContact O-C 3.45Å; P139-E142 VanDerWaalsContact O-C 3.25Å; P139-E142 PolarHBondContact O-N 2.75Å; P139-S143 WeakPolarHBondContact O-CA 3.29Å; P139-S143 PolarHBondContact O-N 2.91Å |
| 140 | E | 82 | Confident | 83.2 | Confident | 169 Ų | 169 | 63.3 Ų | 63.3 | 79% | 0.79 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -62.8 | -35.3 | -177 | -171.6 | -179.4 | 177.8 | 0 | 0 | 113.2 | E142 S143 K147 | E140-E142 PolarHBondContact O-N 3.32Å; E140-S143 WeakPolarHBondContact O-CB 3.38Å; E140-S143 PolarHBondContact O-N 2.97Å; E140-S143 PolarHBondContact O-OG 3.4Å; E140-K147 PolarHBondContact O-NZ 2.94Å |
| 141 | D | 81.7 | Confident | 83.4 | Confident | 85 Ų | 85 | 60.7 Ų | 60.7 | 46% | 0.455 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -79.1 | -4.1 | 177.3 | 67.6 | -40.5 | 0 | 0 | 0 | 113.3 | P139 K147 K151 | P139-D141 VanDerWaalsContact C-N 3.3Å; P139-D141 VanDerWaalsContact CB-OD1 3.32Å; P139-D141 WeakPolarHBondContact CB-OD1 3.22Å; P139-D141 PolarHBondContact O-N 3.02Å; D141-K147 WeakPolarHBondContact O-CB 3.13Å; D141-K151 IonicContact OD2-NZ 3.25Å; D141-K151 PolarHBondContact OD2-NZ 3.26Å |
| 142 | E | 83.1 | Confident | 83.7 | Confident | 24 Ų | 24 | 60.2 Ų | 60.2 | 11% | 0.112 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -127.6 | 17.7 | 175.2 | -65.4 | 166.8 | -153.9 | 0 | 0 | 110.6 | Y129 P139 E140 T144 R148 K151 L182 | Y129-E142 WeakPolarHBondContact CE1-O 3.05Å; Y129-E142 PolarHBondContact OH-O 3.4Å; P139-E142 HydrophobicContact CB-CB 4.42Å; P139-E142 CarbonylContact O-C 3.45Å; P139-E142 VanDerWaalsContact O-C 3.25Å; P139-E142 PolarHBondContact O-N 2.75Å; E140-E142 PolarHBondContact O-N 3.32Å; E142-T144 PolarHBondContact O-N 2.82Å; E142-T144 VanDerWaalsContact O-N 3.08Å; E142-R148 HydrophobicContact CB-CB 4.47Å; E142-K151 HydrophobicContact CG-CD 4.03Å; E142-K151 IonicContact OE1-NZ 3.73Å; E142-K151 PolarHBondContact OE1-NZ 2.96Å; E142-L182 HydrophobicContact CG-CD2 4.17Å; E142-L182 WeakPolarHBondContact OE1-CD2 3.11Å; E142-L182 WeakPolarHBondContact OE2-CD2 3.14Å |
| 143 | S | 84.1 | Confident | 84.3 | Confident | 56 Ų | 56 | 60.2 Ų | 60.2 | 39% | 0.392 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -67.7 | -16.1 | -170.1 | 72.8 | 0 | 0 | 0 | 0 | 113.3 | P139 E140 K147 | P139-S143 WeakPolarHBondContact O-CA 3.29Å; P139-S143 PolarHBondContact O-N 2.91Å; E140-S143 WeakPolarHBondContact O-CB 3.38Å; E140-S143 PolarHBondContact O-N 2.97Å; E140-S143 PolarHBondContact O-OG 3.4Å; S143-K147 PolarHBondContact OG-NZ 3.4Å; S143-K147 VanDerWaalsContact OG-NZ 3.09Å |
| 144 | T | 90.4 | Very high | 85.2 | Confident | 48 Ų | 48 | 65.9 Ų | 65.9 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -130 | 154.8 | 174.9 | 83.5 | 0 | 0 | 0 | 0 | 110.5 | E142 E146 K147 R148 | E142-T144 PolarHBondContact O-N 2.82Å; E142-T144 VanDerWaalsContact O-N 3.08Å; T144-E146 WeakPolarHBondContact CB-OE2 3.35Å; T144-E146 PolarHBondContact O-N 3.16Å; T144-E146 PolarHBondContact OG1-N 3.39Å; T144-E146 PolarHBondContact OG1-OE2 3.39Å; T144-K147 PolarHBondContact O-N 2.9Å; T144-K147 PolarHBondContact OG1-N 3.33Å; T144-R148 PolarHBondContact O-N 3.09Å; T144-R148 VanDerWaalsContact O-N 3.14Å |
| 145 | P | 91.7 | Very high | 86.1 | Confident | 20 Ų | 20 | 66.1 Ų | 66.1 | 13% | 0.13 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -53.9 | -36.8 | 174.3 | -29.1 | 38.1 | 0 | 0 | 0 | 113.7 | L122 V125 Q126 Y129 R148 T149 | L122-P145 HydrophobicContact CD1-CB 3.69Å; V125-P145 HydrophobicContact CB-CB 4.47Å; V125-P145 HydrophobicContact CG1-CB 3.84Å; Q126-P145 HydrophobicContact CB-CB 4.45Å; Q126-P145 HydrophobicContact CB-CG 4.47Å; Q126-P145 HydrophobicContact CG-CB 3.53Å; Q126-P145 HydrophobicContact CG-CG 3.75Å; Y129-P145 HydrophobicContact CD1-CG 3.76Å; Y129-P145 HydrophobicContact CD2-CG 4.42Å; Y129-P145 HydrophobicContact CE1-CG 4.31Å; Y129-P145 HydrophobicContact CG-CG 3.82Å; P145-R148 PolarHBondContact O-N 2.97Å; P145-T149 WeakPolarHBondContact O-CB 3.29Å; P145-T149 PolarHBondContact O-N 3.02Å; P145-T149 PolarHBondContact O-OG1 3.31Å |
| 146 | E | 94.7 | Very high | 87.2 | Confident | 84 Ų | 84 | 62.4 Ų | 62.4 | 39% | 0.393 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.8 | -48.3 | 179.8 | -58.1 | 72.5 | -158.2 | 0 | 0 | 111 | L122 T144 R148 T149 D150 | L122-E146 HydrophobicContact CD1-CG 4.05Å; T144-E146 WeakPolarHBondContact CB-OE2 3.35Å; T144-E146 PolarHBondContact O-N 3.16Å; T144-E146 PolarHBondContact OG1-N 3.39Å; T144-E146 PolarHBondContact OG1-OE2 3.39Å; E146-R148 VanDerWaalsContact C-N 3.31Å; E146-R148 PolarHBondContact O-N 3.28Å; E146-T149 WeakPolarHBondContact O-CB 3.43Å; E146-T149 PolarHBondContact O-N 3.41Å; E146-D150 PolarHBondContact O-N 3.05Å |
| 147 | K | 92.5 | Very high | 88.3 | Confident | 85 Ų | 85 | 62.1 Ų | 62.1 | 37% | 0.37 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | 177.6 | -71 | -177.5 | 175.2 | 176.4 | 0 | 111.8 | E140 D141 S143 T144 D150 K151 | E140-K147 PolarHBondContact O-NZ 2.94Å; D141-K147 WeakPolarHBondContact O-CB 3.13Å; S143-K147 PolarHBondContact OG-NZ 3.4Å; S143-K147 VanDerWaalsContact OG-NZ 3.09Å; T144-K147 PolarHBondContact O-N 2.9Å; T144-K147 PolarHBondContact OG1-N 3.33Å; K147-D150 PolarHBondContact O-N 3.11Å; K147-K151 WeakPolarHBondContact O-CB 3.38Å; K147-K151 PolarHBondContact O-N 2.97Å |
| 148 | R | 90.3 | Very high | 89.2 | Confident | 7 Ų | 7 | 56.5 Ų | 56.5 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.1 | -43 | 176.5 | -178.8 | 160.7 | 177.7 | 165.3 | -0.9 | 111.8 | V125 Y129 E142 T144 P145 E146 K151 I152 R181 L182 C185 | V125-R148 HydrophobicContact CG1-CB 4.17Å; V125-R148 HydrophobicContact CG1-CG 4.18Å; Y129-R148 WeakPolarHBondContact OH-CD 3.4Å; Y129-R148 PolarHBondContact OH-NH1 3.08Å; E142-R148 HydrophobicContact CB-CB 4.47Å; T144-R148 PolarHBondContact O-N 3.09Å; T144-R148 VanDerWaalsContact O-N 3.14Å; P145-R148 PolarHBondContact O-N 2.97Å; E146-R148 VanDerWaalsContact C-N 3.31Å; E146-R148 PolarHBondContact O-N 3.28Å; R148-K151 PolarHBondContact O-N 3.17Å; R148-I152 HydrophobicContact CG-CD1 3.97Å; R148-I152 VanDerWaalsContact O-CG1 3.27Å; R148-I152 WeakPolarHBondContact O-CG1 3.31Å; R148-I152 PolarHBondContact O-N 3.15Å; R148-R181 PolarHBondContact NH2-O 3.41Å; R148-R181 VanDerWaalsContact NH2-O 3.15Å; R148-L182 HydrophobicContact CG-CD2 4.08Å; R148-L182 VanDerWaalsContact CZ-O 3.28Å; R148-L182 PolarHBondContact NE-O 3.04Å; R148-L182 VanDerWaalsContact NE-O 3.08Å; R148-L182 VanDerWaalsContact NH2-CA 3.32Å; R148-L182 PolarHBondContact NH2-O 3.09Å; R148-C185 PolarHBondContact NH1-SG 3.45Å; R148-C185 VanDerWaalsContact NH1-SG 3.39Å; R148-C185 PolarHBondContact NH2-SG 2.57Å |
| 149 | T | 93.1 | Very high | 90.2 | Very high | 6 Ų | 6 | 58.6 Ų | 58.6 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.7 | -46.9 | 175.2 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | M121 L122 P145 E146 K151 I152 F153 | M121-T149 HydrophobicContact CB-CG2 4.06Å; M121-T149 HydrophobicContact CG-CG2 3.75Å; L122-T149 HydrophobicContact CB-CG2 4.35Å; P145-T149 WeakPolarHBondContact O-CB 3.29Å; P145-T149 PolarHBondContact O-N 3.02Å; P145-T149 PolarHBondContact O-OG1 3.31Å; E146-T149 WeakPolarHBondContact O-CB 3.43Å; E146-T149 PolarHBondContact O-N 3.41Å; T149-K151 VanDerWaalsContact C-N 3.31Å; T149-K151 PolarHBondContact O-N 3.19Å; T149-I152 PolarHBondContact O-N 3.14Å; T149-F153 HydrophobicContact CG2-CD2 4.08Å; T149-F153 HydrophobicContact CG2-CE2 4.26Å; T149-F153 WeakPolarHBondContact O-CD2 3.32Å; T149-F153 PolarHBondContact O-N 3.17Å |
| 150 | D | 93.4 | Very high | 90.9 | Very high | 70 Ų | 70 | 62 Ų | 62 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.2 | -40.9 | 176.9 | -78.3 | -26.1 | 0 | 0 | 0 | 112.6 | R118 E146 K147 R154 | R118-D150 IonicContact CZ-OD1 2.67Å; R118-D150 IonicContact NH1-OD1 2.68Å; R118-D150 PolarHBondContact NH1-OD1 3.05Å; E146-D150 PolarHBondContact O-N 3.05Å; K147-D150 PolarHBondContact O-N 3.11Å; D150-R154 VanDerWaalsContact O-CB 3.29Å; D150-R154 WeakPolarHBondContact O-CB 3.21Å; D150-R154 PolarHBondContact O-N 2.85Å |
| 151 | K | 90.8 | Very high | 91.7 | Very high | 45 Ų | 45 | 57.4 Ų | 57.4 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 177.1 | -172.4 | 174 | -179.2 | 176.1 | 0 | 111.4 | D141 E142 K147 R148 T149 R154 Q155 L182 | D141-K151 IonicContact OD2-NZ 3.25Å; D141-K151 PolarHBondContact OD2-NZ 3.26Å; E142-K151 HydrophobicContact CG-CD 4.03Å; E142-K151 IonicContact OE1-NZ 3.73Å; E142-K151 PolarHBondContact OE1-NZ 2.96Å; K147-K151 WeakPolarHBondContact O-CB 3.38Å; K147-K151 PolarHBondContact O-N 2.97Å; R148-K151 PolarHBondContact O-N 3.17Å; T149-K151 VanDerWaalsContact C-N 3.31Å; T149-K151 PolarHBondContact O-N 3.19Å; K151-R154 PolarHBondContact O-N 3.01Å; K151-Q155 WeakPolarHBondContact O-CG 3.46Å; K151-Q155 PolarHBondContact O-N 2.92Å; K151-Q155 VanDerWaalsContact O-N 3.17Å; K151-L182 HydrophobicContact CD-CD1 4.33Å; K151-L182 HydrophobicContact CG-CD1 4.38Å |
| 152 | I | 91.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.6 | -52.2 | 176.9 | -70.4 | 167.1 | 0 | 0 | 0 | 110.4 | M121 V125 R148 T149 R154 Q155 M156 L164 L182 | M121-I152 HydrophobicContact CE-CG2 3.71Å; M121-I152 HydrophobicContact SD-CD1 3.82Å; M121-I152 HydrophobicContact SD-CG2 4.11Å; V125-I152 HydrophobicContact CG2-CD1 4.41Å; R148-I152 HydrophobicContact CG-CD1 3.97Å; R148-I152 VanDerWaalsContact O-CG1 3.27Å; R148-I152 WeakPolarHBondContact O-CG1 3.31Å; R148-I152 PolarHBondContact O-N 3.15Å; T149-I152 PolarHBondContact O-N 3.14Å; I152-R154 PolarHBondContact O-N 3.38Å; I152-Q155 PolarHBondContact O-N 3.13Å; I152-Q155 VanDerWaalsContact O-N 3.14Å; I152-M156 HydrophobicContact CG2-CG 4.45Å; I152-M156 HydrophobicContact CG2-SD 3.62Å; I152-M156 WeakPolarHBondContact O-CB 3.33Å; I152-M156 WeakPolarHBondContact O-CG 3.21Å; I152-M156 PolarHBondContact O-N 3.08Å; I152-L164 HydrophobicContact CG2-CD1 4.27Å; I152-L182 HydrophobicContact CD1-CB 4.25Å; I152-L182 HydrophobicContact CG1-CB 4.11Å; I152-L182 HydrophobicContact CG1-CD1 3.97Å |
| 153 | F | 94.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.009 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 179.9 | -90.5 | -96.1 | 0 | 0 | 0 | 112.4 | R118 M121 T149 Q155 M156 D157 G162 L164 | R118-F153 HydrophobicContact CB-CE2 4.3Å; R118-F153 HydrophobicContact CB-CZ 4.22Å; R118-F153 HydrophobicContact CG-CD1 3.78Å; R118-F153 HydrophobicContact CG-CD2 3.86Å; R118-F153 HydrophobicContact CG-CE1 3.59Å; R118-F153 HydrophobicContact CG-CE2 3.68Å; R118-F153 HydrophobicContact CG-CG 3.91Å; R118-F153 HydrophobicContact CG-CZ 3.55Å; M121-F153 HydrophobicContact CB-CE2 3.69Å; M121-F153 HydrophobicContact CB-CZ 4.5Å; M121-F153 HydrophobicContact CE-CE2 4.47Å; M121-F153 HydrophobicContact CG-CD2 4.42Å; M121-F153 HydrophobicContact CG-CE2 3.91Å; T149-F153 HydrophobicContact CG2-CD2 4.08Å; T149-F153 HydrophobicContact CG2-CE2 4.26Å; T149-F153 WeakPolarHBondContact O-CD2 3.32Å; T149-F153 PolarHBondContact O-N 3.17Å; F153-Q155 PolarHBondContact O-N 3.34Å; F153-Q155 VanDerWaalsContact O-N 3.15Å; F153-M156 PolarHBondContact O-N 3.08Å; F153-D157 HydrophobicContact CD1-CB 4.05Å; F153-D157 WeakPolarHBondContact O-CB 3.1Å; F153-D157 PolarHBondContact O-N 3.33Å; F153-G162 WeakPolarHBondContact CE1-O 3.33Å; F153-L164 HydrophobicContact CD1-CD2 4.31Å; F153-L164 HydrophobicContact CD1-CG 4.35Å; F153-L164 HydrophobicContact CE1-CD2 4.28Å; F153-L164 HydrophobicContact CE1-CG 3.9Å; F153-L164 HydrophobicContact CE2-CD1 4.41Å; F153-L164 HydrophobicContact CZ-CD1 4.32Å; F153-L164 HydrophobicContact CZ-CG 4Å |
| 154 | R | 92.4 | Very high | 93.7 | Very high | 205 Ų | 205 | 54.4 Ų | 54.4 | 77% | 0.774 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -58.2 | -30.7 | 177.4 | -172.5 | -176.3 | -60.4 | 165.7 | 3.8 | 112.8 | D150 K151 I152 | D150-R154 VanDerWaalsContact O-CB 3.29Å; D150-R154 WeakPolarHBondContact O-CB 3.21Å; D150-R154 PolarHBondContact O-N 2.85Å; K151-R154 PolarHBondContact O-N 3.01Å; I152-R154 PolarHBondContact O-N 3.38Å |
| 155 | Q | 89.9 | Confident | 94 | Very high | 71 Ų | 71 | 53.2 Ų | 53.2 | 33% | 0.332 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -90.7 | -28.3 | -178.3 | -66.9 | 178 | -29.2 | 0 | 0 | 113.5 | K151 I152 F153 I179 | K151-Q155 WeakPolarHBondContact O-CG 3.46Å; K151-Q155 PolarHBondContact O-N 2.92Å; K151-Q155 VanDerWaalsContact O-N 3.17Å; I152-Q155 PolarHBondContact O-N 3.13Å; I152-Q155 VanDerWaalsContact O-N 3.14Å; F153-Q155 PolarHBondContact O-N 3.34Å; F153-Q155 VanDerWaalsContact O-N 3.15Å; Q155-I179 HydrophobicContact CB-CD1 3.91Å; Q155-I179 VanDerWaalsContact OE1-CG1 3.27Å |
| 156 | M | 92.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -110.2 | -31.7 | -168.9 | -61 | -177.2 | 82.4 | 0 | 0 | 114.4 | I152 F153 T158 L164 E168 F169 I179 | I152-M156 HydrophobicContact CG2-CG 4.45Å; I152-M156 HydrophobicContact CG2-SD 3.62Å; I152-M156 WeakPolarHBondContact O-CB 3.33Å; I152-M156 WeakPolarHBondContact O-CG 3.21Å; I152-M156 PolarHBondContact O-N 3.08Å; F153-M156 PolarHBondContact O-N 3.08Å; M156-T158 PolarHBondContact O-N 3.42Å; M156-L164 HydrophobicContact CB-CD1 4.06Å; M156-L164 HydrophobicContact CB-CD2 3.64Å; M156-L164 HydrophobicContact SD-CD1 4.22Å; M156-E168 WeakPolarHBondContact O-CB 3.27Å; M156-F169 HydrophobicContact CE-CB 4.3Å; M156-F169 HydrophobicContact CE-CD2 3.88Å; M156-F169 HydrophobicContact CE-CG 4.15Å; M156-F169 WeakPolarHBondContact CE-O 3.32Å; M156-I179 HydrophobicContact CE-CG2 3.9Å; M156-I179 HydrophobicContact CG-CD1 3.77Å; M156-I179 HydrophobicContact CG-CG2 4.4Å; M156-I179 HydrophobicContact SD-CD1 4.35Å; M156-I179 HydrophobicContact SD-CG2 3.59Å; M156-I179 VanDerWaalsContact SD-CG2 3.59Å |
| 157 | D | 95.7 | Very high | 94.3 | Very high | 14 Ų | 14 | 58.9 Ų | 58.9 | 8% | 0.075 | 30% | 0.295 | C | S | . | . | trans | -77.6 | 86 | 180 | -177.2 | -3.2 | 0 | 0 | 0 | 108.9 | F153 N159 N160 D161 G162 L164 | F153-D157 HydrophobicContact CD1-CB 4.05Å; F153-D157 WeakPolarHBondContact O-CB 3.1Å; F153-D157 PolarHBondContact O-N 3.33Å; D157-N159 PolarHBondContact OD1-OD1 3.37Å; D157-N160 WeakPolarHBondContact OD1-CA 3.4Å; D157-N160 PolarHBondContact OD1-N 3.29Å; D157-D161 PolarHBondContact OD1-N 2.94Å; D157-G162 VanDerWaalsContact OD2-CA 3.32Å; D157-G162 WeakPolarHBondContact OD2-CA 3.36Å; D157-G162 PolarHBondContact OD2-N 3.08Å; D157-L164 HydrophobicContact CB-CD2 3.71Å | ||
| 158 | T | 94 | Very high | 94.5 | Very high | 85 Ų | 85 | 55.4 Ų | 55.4 | 52% | 0.521 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -78.6 | -27.9 | -171.2 | 57.3 | 0 | 0 | 0 | 0 | 112.5 | M156 E168 | M156-T158 PolarHBondContact O-N 3.42Å; T158-E168 PolarHBondContact N-OE1 3.21Å; T158-E168 PolarHBondContact OG1-OE1 2.89Å |
| 159 | N | 95.9 | Very high | 94.7 | Very high | 89 Ų | 89 | 55 Ų | 55 | 48% | 0.476 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -93 | -9.6 | 179.8 | 69.2 | 29.3 | 0 | 0 | 0 | 112.7 | D157 D161 E168 | D157-N159 PolarHBondContact OD1-OD1 3.37Å; N159-D161 VanDerWaalsContact C-N 3.31Å; N159-D161 PolarHBondContact O-N 2.97Å; N159-D161 WeakPolarHBondContact OD1-CB 3.28Å; N159-D161 PolarHBondContact OD1-N 3Å; N159-D161 PolarHBondContact OD1-OD1 3.39Å; N159-E168 PolarHBondContact N-OE1 2.96Å; N159-E168 PolarHBondContact ND2-OE1 3.43Å |
| 160 | N | 95.5 | Very high | 94.7 | Very high | 135 Ų | 135 | 55.7 Ų | 55.7 | 72% | 0.722 | 28% | 0.281 | S | S | * | . | trans | 59.2 | 35.2 | -178.8 | -58.8 | -88.2 | 0 | 0 | 0 | 113.5 | D157 G162 | D157-N160 WeakPolarHBondContact OD1-CA 3.4Å; D157-N160 PolarHBondContact OD1-N 3.29Å; N160-G162 VanDerWaalsContact C-N 3.27Å | ||
| 161 | D | 97.3 | Very high | 94.6 | Very high | 73 Ų | 73 | 58.8 Ų | 58.8 | 39% | 0.39 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -84.2 | -2.7 | 176 | 76 | 1.1 | 0 | 0 | 0 | 113 | D157 N159 K163 | D157-D161 PolarHBondContact OD1-N 2.94Å; N159-D161 VanDerWaalsContact C-N 3.31Å; N159-D161 PolarHBondContact O-N 2.97Å; N159-D161 WeakPolarHBondContact OD1-CB 3.28Å; N159-D161 PolarHBondContact OD1-N 3Å; N159-D161 PolarHBondContact OD1-OD1 3.39Å; D161-K163 VanDerWaalsContact CG-CG 3.47Å; D161-K163 WeakPolarHBondContact OD1-CG 3.49Å; D161-K163 PolarHBondContact OD1-N 3.27Å; D161-K163 WeakPolarHBondContact OD2-CE 3.36Å |
| 162 | G | 96.3 | Very high | 94.6 | Very high | 32 Ų | 32 | 56.9 Ų | 56.9 | 33% | 0.33 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 84.1 | 9.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | F153 D157 N160 | F153-G162 WeakPolarHBondContact CE1-O 3.33Å; D157-G162 VanDerWaalsContact OD2-CA 3.32Å; D157-G162 WeakPolarHBondContact OD2-CA 3.36Å; D157-G162 PolarHBondContact OD2-N 3.08Å; N160-G162 VanDerWaalsContact C-N 3.27Å |
| 163 | K | 97.7 | Very high | 94.5 | Very high | 69 Ų | 69 | 57.1 Ų | 57.1 | 30% | 0.3 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 164 | 176.9 | 55 | -178.6 | -175.3 | 166 | 0 | 109.6 | Y115 I116 D161 | Y115-K163 HydrophobicContact CD1-CD 3.62Å; Y115-K163 HydrophobicContact CD1-CG 3.98Å; Y115-K163 HydrophobicContact CD2-CD 4.35Å; Y115-K163 HydrophobicContact CE1-CD 4.25Å; Y115-K163 HydrophobicContact CG-CD 3.68Å; Y115-K163 HydrophobicContact CG-CG 4.36Å; I116-K163 CarbonylContact O-C 3.36Å; I116-K163 VanDerWaalsContact O-CA 3.3Å; I116-K163 WeakPolarHBondContact O-CA 3Å; D161-K163 VanDerWaalsContact CG-CG 3.47Å; D161-K163 WeakPolarHBondContact OD1-CG 3.49Å; D161-K163 PolarHBondContact OD1-N 3.27Å; D161-K163 WeakPolarHBondContact OD2-CE 3.36Å |
| 164 | L | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 120.4 | 177.4 | -59.8 | 178.7 | 0 | 0 | 0 | 109.9 | F105 Y115 I116 M121 I152 F153 M156 D157 | F105-L164 WeakPolarHBondContact CE2-O 3.38Å; Y115-L164 WeakPolarHBondContact CA-O 3.42Å; I116-L164 HydrophobicContact CB-CB 4.28Å; I116-L164 PolarHBondContact N-O 2.7Å; I116-L164 PolarHBondContact O-N 2.69Å; M121-L164 HydrophobicContact CE-CD1 3.91Å; I152-L164 HydrophobicContact CG2-CD1 4.27Å; F153-L164 HydrophobicContact CD1-CD2 4.31Å; F153-L164 HydrophobicContact CD1-CG 4.35Å; F153-L164 HydrophobicContact CE1-CD2 4.28Å; F153-L164 HydrophobicContact CE1-CG 3.9Å; F153-L164 HydrophobicContact CE2-CD1 4.41Å; F153-L164 HydrophobicContact CZ-CD1 4.32Å; F153-L164 HydrophobicContact CZ-CG 4Å; M156-L164 HydrophobicContact CB-CD1 4.06Å; M156-L164 HydrophobicContact CB-CD2 3.64Å; M156-L164 HydrophobicContact SD-CD1 4.22Å; D157-L164 HydrophobicContact CB-CD2 3.71Å |
| 165 | S | 97.8 | Very high | 93.8 | Very high | 24 Ų | 24 | 56.5 Ų | 56.5 | 17% | 0.168 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 160.5 | 165.8 | 63 | 0 | 0 | 0 | 0 | 111.4 | E167 E168 F169 | S165-E167 PolarHBondContact O-N 2.9Å; S165-E168 WeakPolarHBondContact CB-OE2 3.48Å; S165-E168 PolarHBondContact N-OE2 3.38Å; S165-E168 VanDerWaalsContact N-OE2 3.08Å; S165-E168 PolarHBondContact O-N 2.85Å; S165-E168 WeakPolarHBondContact OG-CB 3.23Å; S165-E168 WeakPolarHBondContact OG-CG 3.11Å; S165-E168 PolarHBondContact OG-N 2.74Å; S165-E168 PolarHBondContact OG-OE2 3.23Å; S165-F169 WeakPolarHBondContact O-CB 3.35Å; S165-F169 PolarHBondContact O-N 3.14Å |
| 166 | L | 96.4 | Very high | 93.1 | Very high | 60 Ų | 60 | 55.5 Ų | 55.5 | 31% | 0.314 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.5 | -36.7 | 173.6 | 178.7 | 62.7 | 0 | 0 | 0 | 112.3 | K102 F105 F169 I170 | K102-L166 HydrophobicContact CG-CD1 4.1Å; K102-L166 HydrophobicContact CG-CD2 4.25Å; F105-L166 HydrophobicContact CB-CD1 3.65Å; F105-L166 HydrophobicContact CD1-CD1 4.01Å; F105-L166 HydrophobicContact CD2-CB 4.33Å; F105-L166 HydrophobicContact CD2-CD1 3.83Å; F105-L166 HydrophobicContact CE1-CB 4.43Å; F105-L166 HydrophobicContact CE2-CB 4.17Å; F105-L166 HydrophobicContact CG-CD1 3.55Å; F105-L166 HydrophobicContact CZ-CB 4.23Å; L166-F169 PolarHBondContact O-N 3.15Å; L166-I170 HydrophobicContact CD1-CD1 3.76Å; L166-I170 HydrophobicContact CD1-CG1 4.05Å; L166-I170 HydrophobicContact CD2-CD1 4.47Å; L166-I170 HydrophobicContact CG-CD1 3.83Å; L166-I170 HydrophobicContact CG-CG1 4.45Å; L166-I170 WeakPolarHBondContact O-CB 3.31Å; L166-I170 VanDerWaalsContact O-CG1 3.3Å; L166-I170 WeakPolarHBondContact O-CG1 3.38Å; L166-I170 PolarHBondContact O-N 2.56Å |
| 167 | E | 96.3 | Very high | 92.3 | Very high | 163 Ų | 163 | 59.8 Ų | 59.8 | 76% | 0.762 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -66.1 | -46.5 | 178.7 | -65.5 | -173.6 | 175.8 | 0 | 0 | 111.8 | S165 F169 I170 K171 | S165-E167 PolarHBondContact O-N 2.9Å; E167-F169 VanDerWaalsContact C-N 3.32Å; E167-I170 PolarHBondContact O-N 2.68Å; E167-K171 WeakPolarHBondContact O-CB 3.29Å; E167-K171 PolarHBondContact O-N 3.42Å |
| 168 | E | 96.1 | Very high | 91.1 | Very high | 11 Ų | 11 | 61.1 Ų | 61.1 | 5% | 0.051 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 174.3 | -77.2 | 169.1 | 133.5 | 0 | 0 | 111.6 | M156 T158 N159 S165 K171 G172 | M156-E168 WeakPolarHBondContact O-CB 3.27Å; T158-E168 PolarHBondContact N-OE1 3.21Å; T158-E168 PolarHBondContact OG1-OE1 2.89Å; N159-E168 PolarHBondContact N-OE1 2.96Å; N159-E168 PolarHBondContact ND2-OE1 3.43Å; S165-E168 WeakPolarHBondContact CB-OE2 3.48Å; S165-E168 PolarHBondContact N-OE2 3.38Å; S165-E168 VanDerWaalsContact N-OE2 3.08Å; S165-E168 PolarHBondContact O-N 2.85Å; S165-E168 WeakPolarHBondContact OG-CB 3.23Å; S165-E168 WeakPolarHBondContact OG-CG 3.11Å; S165-E168 PolarHBondContact OG-N 2.74Å; S165-E168 PolarHBondContact OG-OE2 3.23Å; E168-K171 PolarHBondContact O-N 3.46Å; E168-G172 PolarHBondContact O-N 3.48Å |
| 169 | F | 94.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.7 | -51.7 | 177.8 | -171.3 | -94.8 | 0 | 0 | 0 | 112 | L101 A104 F105 Y108 I116 M156 S165 L166 E167 A173 L183 | L101-F169 HydrophobicContact CD2-CE1 4.38Å; L101-F169 WeakPolarHBondContact O-CE1 3.07Å; A104-F169 HydrophobicContact CB-CE1 4.22Å; A104-F169 HydrophobicContact CB-CZ 4.29Å; F105-F169 HydrophobicContact CB-CD1 4.03Å; F105-F169 HydrophobicContact CB-CE1 4.21Å; F105-F169 HydrophobicContact CD2-CB 3.58Å; F105-F169 HydrophobicContact CD2-CD1 4.03Å; F105-F169 HydrophobicContact CD2-CD2 4.17Å; F105-F169 AromaticContact CD2-CG 3.67Å; F105-F169 HydrophobicContact CD2-CG 3.67Å; F105-F169 HydrophobicContact CE2-CB 4.02Å; F105-F169 HydrophobicContact CE2-CG 4.48Å; Y108-F169 HydrophobicContact CD2-CE2 4.33Å; Y108-F169 HydrophobicContact CD2-CZ 4.26Å; I116-F169 HydrophobicContact CD1-CD2 3.63Å; I116-F169 HydrophobicContact CD1-CE2 3.9Å; I116-F169 HydrophobicContact CD1-CG 4.33Å; M156-F169 HydrophobicContact CE-CB 4.3Å; M156-F169 HydrophobicContact CE-CD2 3.88Å; M156-F169 HydrophobicContact CE-CG 4.15Å; M156-F169 WeakPolarHBondContact CE-O 3.32Å; S165-F169 WeakPolarHBondContact O-CB 3.35Å; S165-F169 PolarHBondContact O-N 3.14Å; L166-F169 PolarHBondContact O-N 3.15Å; E167-F169 VanDerWaalsContact C-N 3.32Å; F169-A173 VanDerWaalsContact O-CB 3.29Å; F169-A173 WeakPolarHBondContact O-CB 3.08Å; F169-A173 PolarHBondContact O-N 3.3Å; F169-L183 HydrophobicContact CE1-CD1 4.15Å; F169-L183 HydrophobicContact CE2-CD1 3.9Å; F169-L183 HydrophobicContact CE2-CD2 3.64Å; F169-L183 HydrophobicContact CE2-CG 4.44Å; F169-L183 HydrophobicContact CZ-CD1 3.52Å; F169-L183 HydrophobicContact CZ-CD2 3.77Å; F169-L183 HydrophobicContact CZ-CG 4.26Å |
| 170 | I | 92.7 | Very high | 88.8 | Confident | 19 Ų | 19 | 54.3 Ų | 54.3 | 10% | 0.097 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 179.4 | -70.3 | 171.8 | 0 | 0 | 0 | 110.8 | E98 L101 K102 L166 E167 K174 | E98-I170 HydrophobicContact CG-CD1 4.28Å; L101-I170 HydrophobicContact CB-CG1 4.11Å; L101-I170 HydrophobicContact CD1-CG2 4.3Å; K102-I170 HydrophobicContact CG-CD1 4.06Å; L166-I170 HydrophobicContact CD1-CD1 3.76Å; L166-I170 HydrophobicContact CD1-CG1 4.05Å; L166-I170 HydrophobicContact CD2-CD1 4.47Å; L166-I170 HydrophobicContact CG-CD1 3.83Å; L166-I170 HydrophobicContact CG-CG1 4.45Å; L166-I170 WeakPolarHBondContact O-CB 3.31Å; L166-I170 VanDerWaalsContact O-CG1 3.3Å; L166-I170 WeakPolarHBondContact O-CG1 3.38Å; L166-I170 PolarHBondContact O-N 2.56Å; E167-I170 PolarHBondContact O-N 2.68Å; I170-K174 HydrophobicContact CG2-CD 3.78Å; I170-K174 HydrophobicContact CG2-CG 4.37Å; I170-K174 WeakPolarHBondContact O-CB 3.41Å; I170-K174 VanDerWaalsContact O-CG 3.29Å; I170-K174 WeakPolarHBondContact O-CG 3.19Å; I170-K174 PolarHBondContact O-N 3.26Å |
| 171 | K | 92.8 | Very high | 87.6 | Confident | 136 Ų | 136 | 55.3 Ų | 55.3 | 59% | 0.591 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63.4 | -49.6 | -179.3 | -176.8 | -178.9 | 176.2 | -173.3 | 0 | 110.7 | E167 E168 K174 S175 | E167-K171 WeakPolarHBondContact O-CB 3.29Å; E167-K171 PolarHBondContact O-N 3.42Å; E168-K171 PolarHBondContact O-N 3.46Å; K171-K174 PolarHBondContact O-N 3.46Å; K171-S175 WeakPolarHBondContact O-CB 3.14Å; K171-S175 PolarHBondContact O-N 3.18Å; K171-S175 PolarHBondContact O-OG 3.39Å |
| 172 | G | 90.9 | Very high | 85.7 | Confident | 5 Ų | 5 | 52 Ų | 52 | 5% | 0.052 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.5 | -50.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E168 K174 S175 D176 I179 | E168-G172 PolarHBondContact O-N 3.48Å; G172-K174 VanDerWaalsContact C-N 3.29Å; G172-K174 PolarHBondContact O-N 3.25Å; G172-S175 WeakPolarHBondContact CA-OG 3.16Å; G172-S175 PolarHBondContact O-N 3.42Å; G172-S175 PolarHBondContact O-OG 3.11Å; G172-D176 PolarHBondContact O-N 3.03Å; G172-I179 WeakPolarHBondContact O-CD1 3.4Å |
| 173 | A | 88.6 | Confident | 84.2 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.033 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.6 | -33.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L101 F169 I179 V180 L183 | L101-A173 HydrophobicContact CD1-CB 4.06Å; L101-A173 HydrophobicContact CD2-CB 3.55Å; L101-A173 HydrophobicContact CG-CB 4.45Å; F169-A173 VanDerWaalsContact O-CB 3.29Å; F169-A173 WeakPolarHBondContact O-CB 3.08Å; F169-A173 PolarHBondContact O-N 3.3Å; A173-I179 HydrophobicContact CB-CG2 4.35Å; A173-V180 HydrophobicContact CB-CG2 4.39Å; A173-V180 WeakPolarHBondContact O-CG2 3.37Å; A173-L183 HydrophobicContact CB-CD1 4.05Å |
| 174 | K | 87.5 | Confident | 82.6 | Confident | 109 Ų | 109 | 53.8 Ų | 53.8 | 47% | 0.474 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -77.9 | -31.8 | 175.9 | -75.2 | 177.6 | 178.6 | 173.8 | 0 | 113.1 | L97 E98 L101 I170 K171 G172 | L97-K174 HydrophobicContact CD2-CG 4.37Å; E98-K174 IonicContact OE2-NZ 3.8Å; E98-K174 PolarHBondContact OE2-NZ 3.3Å; L101-K174 HydrophobicContact CD1-CG 4.13Å; I170-K174 HydrophobicContact CG2-CD 3.78Å; I170-K174 HydrophobicContact CG2-CG 4.37Å; I170-K174 WeakPolarHBondContact O-CB 3.41Å; I170-K174 VanDerWaalsContact O-CG 3.29Å; I170-K174 WeakPolarHBondContact O-CG 3.19Å; I170-K174 PolarHBondContact O-N 3.26Å; K171-K174 PolarHBondContact O-N 3.46Å; G172-K174 VanDerWaalsContact C-N 3.29Å; G172-K174 PolarHBondContact O-N 3.25Å |
| 175 | S | 84.1 | Confident | 80.4 | Confident | 86 Ų | 86 | 54.9 Ų | 54.9 | 60% | 0.601 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -79.4 | -28 | -175.2 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | K171 G172 | K171-S175 WeakPolarHBondContact O-CB 3.14Å; K171-S175 PolarHBondContact O-N 3.18Å; K171-S175 PolarHBondContact O-OG 3.39Å; G172-S175 WeakPolarHBondContact CA-OG 3.16Å; G172-S175 PolarHBondContact O-N 3.42Å; G172-S175 PolarHBondContact O-OG 3.11Å |
| 176 | D | 75.8 | Confident | 78 | Confident | 50 Ų | 50 | 56.7 Ų | 56.7 | 27% | 0.267 | 29% | 0.289 | S | S | . | . | trans | -134.3 | 109.2 | -174.5 | -165.3 | -24.7 | 0 | 0 | 0 | 110.9 | G172 S178 I179 V180 | G172-D176 PolarHBondContact O-N 3.03Å; D176-S178 PolarHBondContact O-N 3.33Å; D176-S178 VanDerWaalsContact O-N 3.13Å; D176-S178 WeakPolarHBondContact OD1-CA 3.33Å; D176-S178 WeakPolarHBondContact OD1-CB 3.31Å; D176-S178 PolarHBondContact OD1-N 2.8Å; D176-S178 PolarHBondContact OD1-OG 3.02Å; D176-S178 PolarHBondContact OD2-OG 2.64Å; D176-I179 HydrophobicContact CB-CB 4.26Å; D176-I179 HydrophobicContact CB-CD1 3.77Å; D176-I179 HydrophobicContact CB-CG1 3.86Å; D176-I179 WeakPolarHBondContact O-CB 3.4Å; D176-I179 PolarHBondContact O-N 2.76Å; D176-V180 PolarHBondContact O-N 3.34Å | ||
| 177 | P | 75.9 | Confident | 75.1 | Confident | 91 Ų | 91 | 57.2 Ų | 57.2 | 59% | 0.591 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -56.4 | -25.3 | 172.9 | -25.3 | 34.8 | 0 | 0 | 0 | 113.3 | V180 R181 | P177-V180 PolarHBondContact O-N 2.7Å; P177-R181 WeakPolarHBondContact O-CG 3.36Å; P177-R181 PolarHBondContact O-N 3.31Å; P177-R181 VanDerWaalsContact O-N 3.08Å |
| 178 | S | 70.9 | Confident | 72 | Confident | 42 Ų | 42 | 53 Ų | 53 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.6 | -36.9 | 173.1 | 78.7 | 0 | 0 | 0 | 0 | 111.4 | D176 V180 R181 L182 | D176-S178 PolarHBondContact O-N 3.33Å; D176-S178 VanDerWaalsContact O-N 3.13Å; D176-S178 WeakPolarHBondContact OD1-CA 3.33Å; D176-S178 WeakPolarHBondContact OD1-CB 3.31Å; D176-S178 PolarHBondContact OD1-N 2.8Å; D176-S178 PolarHBondContact OD1-OG 3.02Å; D176-S178 PolarHBondContact OD2-OG 2.64Å; S178-V180 VanDerWaalsContact C-N 3.3Å; S178-V180 PolarHBondContact O-N 3.06Å; S178-R181 CarbonylContact O-C 3.53Å; S178-R181 WeakPolarHBondContact O-CA 3.36Å; S178-R181 WeakPolarHBondContact O-CB 3.44Å; S178-R181 PolarHBondContact O-N 2.96Å; S178-R181 VanDerWaalsContact O-N 3.08Å; S178-L182 VanDerWaalsContact O-CG 3.31Å; S178-L182 WeakPolarHBondContact O-CG 3.15Å; S178-L182 PolarHBondContact O-N 2.64Å |
| 179 | I | 68.8 | Low | 69.1 | Low | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 173 | -68.4 | 172.2 | 0 | 0 | 0 | 110.4 | Q155 M156 G172 A173 D176 R181 L182 L183 | Q155-I179 HydrophobicContact CB-CD1 3.91Å; Q155-I179 VanDerWaalsContact OE1-CG1 3.27Å; M156-I179 HydrophobicContact CE-CG2 3.9Å; M156-I179 HydrophobicContact CG-CD1 3.77Å; M156-I179 HydrophobicContact CG-CG2 4.4Å; M156-I179 HydrophobicContact SD-CD1 4.35Å; M156-I179 HydrophobicContact SD-CG2 3.59Å; M156-I179 VanDerWaalsContact SD-CG2 3.59Å; G172-I179 WeakPolarHBondContact O-CD1 3.4Å; A173-I179 HydrophobicContact CB-CG2 4.35Å; D176-I179 HydrophobicContact CB-CB 4.26Å; D176-I179 HydrophobicContact CB-CD1 3.77Å; D176-I179 HydrophobicContact CB-CG1 3.86Å; D176-I179 WeakPolarHBondContact O-CB 3.4Å; D176-I179 PolarHBondContact O-N 2.76Å; I179-R181 VanDerWaalsContact C-N 3.27Å; I179-R181 PolarHBondContact O-N 2.78Å; I179-L182 CarbonylContact O-C 3.51Å; I179-L182 WeakPolarHBondContact O-CA 3.42Å; I179-L182 WeakPolarHBondContact O-CB 3.42Å; I179-L182 PolarHBondContact O-N 2.71Å; I179-L183 HydrophobicContact CG2-CD1 3.98Å; I179-L183 HydrophobicContact CG2-CG 4.32Å; I179-L183 VanDerWaalsContact O-CG 3.31Å; I179-L183 WeakPolarHBondContact O-CG 3.42Å; I179-L183 PolarHBondContact O-N 2.68Å |
| 180 | V | 72.3 | Confident | 66.2 | Low | 30 Ų | 30 | 56.8 Ų | 56.8 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 174.5 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | A173 D176 P177 S178 L182 L183 Q184 | A173-V180 HydrophobicContact CB-CG2 4.39Å; A173-V180 WeakPolarHBondContact O-CG2 3.37Å; D176-V180 PolarHBondContact O-N 3.34Å; P177-V180 PolarHBondContact O-N 2.7Å; S178-V180 VanDerWaalsContact C-N 3.3Å; S178-V180 PolarHBondContact O-N 3.06Å; V180-L182 VanDerWaalsContact C-N 3.32Å; V180-L183 PolarHBondContact O-N 3.35Å; V180-Q184 HydrophobicContact CG1-CG 4.16Å; V180-Q184 VanDerWaalsContact O-CB 3.23Å; V180-Q184 WeakPolarHBondContact O-CB 3.22Å; V180-Q184 WeakPolarHBondContact O-CG 3.42Å; V180-Q184 PolarHBondContact O-N 2.76Å |
| 181 | R | 69.5 | Low | 63.2 | Low | 156 Ų | 156 | 60.6 Ų | 60.6 | 59% | 0.589 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -68.3 | -29.4 | 172.2 | -64.5 | 172.1 | -179 | -172.7 | -1.6 | 112.9 | R148 P177 S178 I179 L183 Q184 | R148-R181 PolarHBondContact NH2-O 3.41Å; R148-R181 VanDerWaalsContact NH2-O 3.15Å; P177-R181 WeakPolarHBondContact O-CG 3.36Å; P177-R181 PolarHBondContact O-N 3.31Å; P177-R181 VanDerWaalsContact O-N 3.08Å; S178-R181 CarbonylContact O-C 3.53Å; S178-R181 WeakPolarHBondContact O-CA 3.36Å; S178-R181 WeakPolarHBondContact O-CB 3.44Å; S178-R181 PolarHBondContact O-N 2.96Å; S178-R181 VanDerWaalsContact O-N 3.08Å; I179-R181 VanDerWaalsContact C-N 3.27Å; I179-R181 PolarHBondContact O-N 2.78Å; R181-L183 VanDerWaalsContact C-N 3.3Å; R181-Q184 CarbonylContact C-O 3.52Å; R181-Q184 CarbonylContact O-C 3.25Å |
| 182 | L | 58.9 | Low | 60.1 | Low | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.016 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -71.2 | -28.4 | 173 | -68.5 | 178.2 | 0 | 0 | 0 | 111.7 | E142 R148 K151 I152 S178 I179 V180 | E142-L182 HydrophobicContact CG-CD2 4.17Å; E142-L182 WeakPolarHBondContact OE1-CD2 3.11Å; E142-L182 WeakPolarHBondContact OE2-CD2 3.14Å; R148-L182 HydrophobicContact CG-CD2 4.08Å; R148-L182 VanDerWaalsContact CZ-O 3.28Å; R148-L182 PolarHBondContact NE-O 3.04Å; R148-L182 VanDerWaalsContact NE-O 3.08Å; R148-L182 VanDerWaalsContact NH2-CA 3.32Å; R148-L182 PolarHBondContact NH2-O 3.09Å; K151-L182 HydrophobicContact CD-CD1 4.33Å; K151-L182 HydrophobicContact CG-CD1 4.38Å; I152-L182 HydrophobicContact CD1-CB 4.25Å; I152-L182 HydrophobicContact CG1-CB 4.11Å; I152-L182 HydrophobicContact CG1-CD1 3.97Å; S178-L182 VanDerWaalsContact O-CG 3.31Å; S178-L182 WeakPolarHBondContact O-CG 3.15Å; S178-L182 PolarHBondContact O-N 2.64Å; I179-L182 CarbonylContact O-C 3.51Å; I179-L182 WeakPolarHBondContact O-CA 3.42Å; I179-L182 WeakPolarHBondContact O-CB 3.42Å; I179-L182 PolarHBondContact O-N 2.71Å; V180-L182 VanDerWaalsContact C-N 3.32Å |
| 183 | L | 64.5 | Low | 57.3 | Low | 21 Ų | 21 | 73.5 Ų | 73.5 | 11% | 0.11 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -87.8 | -35.8 | 176.1 | -65.3 | 171.1 | 0 | 0 | 0 | 112.4 | Y108 F169 A173 I179 V180 R181 | Y108-L183 HydrophobicContact CE2-CD2 3.8Å; F169-L183 HydrophobicContact CE1-CD1 4.15Å; F169-L183 HydrophobicContact CE2-CD1 3.9Å; F169-L183 HydrophobicContact CE2-CD2 3.64Å; F169-L183 HydrophobicContact CE2-CG 4.44Å; F169-L183 HydrophobicContact CZ-CD1 3.52Å; F169-L183 HydrophobicContact CZ-CD2 3.77Å; F169-L183 HydrophobicContact CZ-CG 4.26Å; A173-L183 HydrophobicContact CB-CD1 4.05Å; I179-L183 HydrophobicContact CG2-CD1 3.98Å; I179-L183 HydrophobicContact CG2-CG 4.32Å; I179-L183 VanDerWaalsContact O-CG 3.31Å; I179-L183 WeakPolarHBondContact O-CG 3.42Å; I179-L183 PolarHBondContact O-N 2.68Å; V180-L183 PolarHBondContact O-N 3.35Å; R181-L183 VanDerWaalsContact C-N 3.3Å |
| 184 | Q | 63.7 | Low | 55.7 | Low | 117 Ų | 117 | 77 Ų | 77 | 55% | 0.547 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -100.5 | 98.2 | 176.5 | -61.3 | 177.9 | -7.3 | 0 | 0 | 107.8 | V180 R181 D186 | V180-Q184 HydrophobicContact CG1-CG 4.16Å; V180-Q184 VanDerWaalsContact O-CB 3.23Å; V180-Q184 WeakPolarHBondContact O-CB 3.22Å; V180-Q184 WeakPolarHBondContact O-CG 3.42Å; V180-Q184 PolarHBondContact O-N 2.76Å; R181-Q184 CarbonylContact C-O 3.52Å; R181-Q184 CarbonylContact O-C 3.25Å; Q184-D186 PolarHBondContact O-N 3.08Å |
| 185 | C | 50.1 | Low | 54 | Low | 23 Ų | 23 | 75.3 Ų | 75.3 | 16% | 0.155 | 42% | 0.417 | C | S | . | . | trans | -66.1 | 81.5 | 165.1 | -95.1 | 0 | 0 | 0 | 0 | 109.4 | I128 V132 R148 P187 | I128-C185 HydrophobicContact CG2-CB 3.4Å; I128-C185 VanDerWaalsContact CG2-CB 3.4Å; I128-C185 WeakPolarHBondContact CG2-SG 3.19Å; V132-C185 HydrophobicContact CG1-CB 4.45Å; R148-C185 PolarHBondContact NH1-SG 3.45Å; R148-C185 VanDerWaalsContact NH1-SG 3.39Å; R148-C185 PolarHBondContact NH2-SG 2.57Å; C185-P187 WeakPolarHBondContact O-CD 3.4Å | ||
| 186 | D | 47.1 | Very low | 52.3 | Low | 62 Ų | 62 | 74.7 Ų | 74.7 | 33% | 0.332 | 41% | 0.406 | S | S | . | . | trans | -80.9 | 108 | 178 | -178.1 | 4.8 | 0 | 0 | 0 | 108.8 | M136 Q184 S188 S189 | M136-D186 WeakPolarHBondContact CE-O 3.32Å; Q184-D186 PolarHBondContact O-N 3.08Å; D186-S188 PolarHBondContact O-N 2.96Å; D186-S188 VanDerWaalsContact O-N 3.09Å; D186-S188 WeakPolarHBondContact OD1-CB 3.37Å; D186-S188 PolarHBondContact OD1-N 2.9Å; D186-S188 PolarHBondContact OD1-OG 3.04Å; D186-S189 PolarHBondContact O-N 2.89Å; D186-S189 PolarHBondContact O-OG 3.22Å | ||
| 187 | P | 35.8 | Very low | 51 | Low | 71 Ų | 71 | 76.2 Ų | 76.2 | 46% | 0.461 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -58.6 | -21.4 | 175.8 | 24.5 | -32.3 | 0 | 0 | 0 | 112.8 | M136 C185 S189 A190 | M136-P187 HydrophobicContact SD-CB 4.2Å; C185-P187 WeakPolarHBondContact O-CD 3.4Å; P187-S189 PolarHBondContact O-N 3.09Å; P187-A190 PolarHBondContact O-N 3.38Å |
| 188 | S | 32.8 | Very low | 49.4 | Very low | 74 Ų | 74 | 75.3 Ų | 75.3 | 52% | 0.517 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -68 | -18.9 | 176.8 | -31.9 | 0 | 0 | 0 | 0 | 113.7 | D186 S191 | D186-S188 PolarHBondContact O-N 2.96Å; D186-S188 VanDerWaalsContact O-N 3.09Å; D186-S188 WeakPolarHBondContact OD1-CB 3.37Å; D186-S188 PolarHBondContact OD1-N 2.9Å; D186-S188 PolarHBondContact OD1-OG 3.04Å; S188-S191 PolarHBondContact O-OG 3.33Å |
| 189 | S | 34.7 | Very low | 48 | Very low | 45 Ų | 45 | 77.5 Ų | 77.5 | 32% | 0.315 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -79.7 | -18.9 | 179.3 | 63 | 0 | 0 | 0 | 0 | 113.2 | D186 P187 S191 | D186-S189 PolarHBondContact O-N 2.89Å; D186-S189 PolarHBondContact O-OG 3.22Å; P187-S189 PolarHBondContact O-N 3.09Å; S189-S191 VanDerWaalsContact C-N 3.26Å; S189-S191 PolarHBondContact O-N 2.81Å |
| 190 | A | 32.3 | Very low | 46.5 | Very low | 46 Ų | 46 | 82.9 Ų | 82.9 | 38% | 0.38 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -76.1 | -9.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | M136 P187 | M136-A190 HydrophobicContact CE-CB 4.14Å; M136-A190 HydrophobicContact CG-CB 4.37Å; P187-A190 PolarHBondContact O-N 3.38Å |
| 191 | S | 29.1 | Very low | 44.5 | Very low | 100 Ų | 100 | 86.9 Ų | 86.9 | 70% | 0.699 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -96.4 | 8.9 | 179.5 | 42.7 | 0 | 0 | 0 | 0 | 114.3 | S188 S189 | S188-S191 PolarHBondContact O-OG 3.33Å; S189-S191 VanDerWaalsContact C-N 3.26Å; S189-S191 PolarHBondContact O-N 2.81Å |
| 192 | Q | 28.3 | Very low | 42.4 | Very low | 156 Ų | 156 | 81.2 Ų | 81.2 | 73% | 0.729 | 45% | 0.449 | S | S | * | . | trans | -109.6 | 10.3 | 175.9 | -66.9 | -167.4 | 10.2 | 0 | 0 | 115 | ||||
| 193 | F | 31.6 | Very low | 40.9 | Very low | 256 Ų | 256 | 88.3 Ų | 88.3 | 100% | 1.123 | 49% | 0.488 | S | S | * | . | trans | -136.6 | 0 | 170.2 | -68.6 | -74.4 | 0 | 0 | 0 | 112.2 |
Retrieved 193 of 193 residues in 86.3 ms
(Link to these results)