| 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 | 54.5 | Low | 89.3 | Confident | 159 Ų | 159 | 65.1 Ų | 65.1 | 78% | 0.783 | 33% | 0.333 | S | S | * | . | 0 | 134.6 | 0 | -150 | 169.4 | -67 | 0 | 0 | 105.5 | L3 I6 | M1-L3 PolarHBondContact O-N 3.24Å; M1-I6 HydrophobicContact CB-CD1 4.08Å; M1-I6 HydrophobicContact CB-CG1 4.28Å; M1-I6 HydrophobicContact CG-CD1 3.96Å; M1-I6 HydrophobicContact CG-CG1 4.4Å; M1-I6 HydrophobicContact SD-CD1 3.37Å; M1-I6 WeakPolarHBondContact SD-CD1 3.29Å; M1-I6 HydrophobicContact SD-CG1 4.4Å | |||
| 2 | E | 84.9 | Confident | 89.7 | Confident | 146 Ų | 146 | 61.7 Ų | 61.7 | 68% | 0.682 | 32% | 0.319 | S | S | * | . | trans | -64 | 136.2 | -179.1 | -70.6 | -176.8 | 172.3 | 0 | 0 | 109.8 | I4 T5 I6 | E2-I4 PolarHBondContact O-N 3.26Å; E2-T5 WeakPolarHBondContact O-CB 3.46Å; E2-T5 PolarHBondContact O-N 3.15Å; E2-I6 PolarHBondContact O-N 2.73Å | ||
| 3 | L | 90.9 | Very high | 89.9 | Confident | 36 Ų | 36 | 67.5 Ų | 67.5 | 19% | 0.188 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -54.1 | -38.6 | -176.6 | -179.7 | 62.3 | 0 | 0 | 0 | 111.7 | M1 T5 I6 L7 L25 F36 E39 L40 V43 | M1-L3 PolarHBondContact O-N 3.24Å; L3-T5 PolarHBondContact O-N 2.93Å; L3-I6 PolarHBondContact O-N 2.81Å; L3-L7 HydrophobicContact CG-CD1 4.06Å; L3-L7 HydrophobicContact CG-CG 4.47Å; L3-L7 WeakPolarHBondContact O-CG 3.39Å; L3-L7 PolarHBondContact O-N 3.34Å; L3-L25 HydrophobicContact CD1-CD2 4.03Å; L3-F36 HydrophobicContact CD1-CE2 4.29Å; L3-E39 HydrophobicContact CD2-CB 3.86Å; L3-L40 HydrophobicContact CD1-CD2 4.41Å; L3-L40 HydrophobicContact CD2-CD2 4.19Å; L3-V43 HydrophobicContact CD2-CG2 4.17Å |
| 4 | I | 94.2 | Very high | 90.3 | Very high | 48 Ų | 48 | 67.9 Ų | 67.9 | 25% | 0.246 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.8 | -47 | 176.9 | -63.4 | 173.3 | 0 | 0 | 0 | 111.3 | E2 I6 L7 E8 V43 N49 A53 | E2-I4 PolarHBondContact O-N 3.26Å; I4-I6 VanDerWaalsContact C-N 3.27Å; I4-I6 PolarHBondContact O-N 3.05Å; I4-L7 PolarHBondContact O-N 3.33Å; I4-E8 WeakPolarHBondContact O-CG 3.38Å; I4-E8 PolarHBondContact O-N 3.06Å; I4-V43 HydrophobicContact CG1-CG1 4.35Å; I4-V43 HydrophobicContact CG1-CG2 4.12Å; I4-N49 WeakPolarHBondContact CD1-OD1 3.44Å; I4-A53 HydrophobicContact CG2-CB 3.85Å |
| 5 | T | 93.3 | Very high | 90.5 | Very high | 52 Ų | 52 | 75.7 Ų | 75.7 | 32% | 0.319 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.1 | -32.7 | 179.3 | -49.3 | 0 | 0 | 0 | 0 | 112.3 | E2 L3 K9 | E2-T5 WeakPolarHBondContact O-CB 3.46Å; E2-T5 PolarHBondContact O-N 3.15Å; L3-T5 PolarHBondContact O-N 2.93Å; T5-K9 WeakPolarHBondContact O-CG 3.42Å; T5-K9 PolarHBondContact O-N 2.96Å |
| 6 | I | 94.7 | Very high | 90.7 | Very high | 8 Ų | 8 | 78.3 Ų | 78.3 | 4% | 0.041 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -70.3 | -44.4 | 175.2 | -61.8 | -64.1 | 0 | 0 | 0 | 110.5 | M1 E2 L3 I4 E8 K9 T10 A21 F24 L25 | M1-I6 HydrophobicContact CB-CD1 4.08Å; M1-I6 HydrophobicContact CB-CG1 4.28Å; M1-I6 HydrophobicContact CG-CD1 3.96Å; M1-I6 HydrophobicContact CG-CG1 4.4Å; M1-I6 HydrophobicContact SD-CD1 3.37Å; M1-I6 WeakPolarHBondContact SD-CD1 3.29Å; M1-I6 HydrophobicContact SD-CG1 4.4Å; E2-I6 PolarHBondContact O-N 2.73Å; L3-I6 PolarHBondContact O-N 2.81Å; I4-I6 VanDerWaalsContact C-N 3.27Å; I4-I6 PolarHBondContact O-N 3.05Å; I6-E8 VanDerWaalsContact C-N 3.31Å; I6-E8 PolarHBondContact O-N 2.75Å; I6-K9 WeakPolarHBondContact O-CB 3.42Å; I6-K9 PolarHBondContact O-N 2.69Å; I6-T10 PolarHBondContact O-N 2.64Å; I6-A21 HydrophobicContact CG2-CB 4.1Å; I6-F24 HydrophobicContact CB-CD1 4.29Å; I6-F24 HydrophobicContact CD1-CD1 4.39Å; I6-F24 HydrophobicContact CD1-CG 4.26Å; I6-F24 HydrophobicContact CG1-CD1 3.9Å; I6-F24 HydrophobicContact CG1-CE1 4.02Å; I6-F24 HydrophobicContact CG1-CG 4.28Å; I6-F24 HydrophobicContact CG1-CZ 4.5Å; I6-F24 HydrophobicContact CG2-CB 4.26Å; I6-F24 HydrophobicContact CG2-CD1 3.77Å; I6-F24 HydrophobicContact CG2-CG 4.25Å; I6-L25 HydrophobicContact CG2-CD1 4.41Å; I6-L25 HydrophobicContact CG2-CD2 4.02Å; I6-L25 HydrophobicContact CG2-CG 3.96Å |
| 7 | L | 95 | Very high | 90.9 | Very high | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.2 | -39 | 177.2 | -69.4 | 169.2 | 0 | 0 | 0 | 111.8 | L3 I4 K9 T10 L25 L40 V43 A53 A56 A57 Q60 | L3-L7 HydrophobicContact CG-CD1 4.06Å; L3-L7 HydrophobicContact CG-CG 4.47Å; L3-L7 WeakPolarHBondContact O-CG 3.39Å; L3-L7 PolarHBondContact O-N 3.34Å; I4-L7 PolarHBondContact O-N 3.33Å; L7-K9 PolarHBondContact O-N 3.33Å; L7-T10 PolarHBondContact O-N 2.88Å; L7-T10 VanDerWaalsContact O-N 3.16Å; L7-T10 PolarHBondContact O-OG1 3.29Å; L7-L25 HydrophobicContact CD2-CD1 4.28Å; L7-L25 HydrophobicContact CD2-CD2 4.1Å; L7-L40 HydrophobicContact CD1-CD2 4.17Å; L7-L40 HydrophobicContact CD2-CD2 4.02Å; L7-V43 HydrophobicContact CD1-CB 4.45Å; L7-V43 HydrophobicContact CD1-CG1 3.85Å; L7-V43 HydrophobicContact CD1-CG2 4.5Å; L7-A53 HydrophobicContact CB-CB 4.46Å; L7-A56 HydrophobicContact CB-CB 3.99Å; L7-A56 HydrophobicContact CD2-CB 3.97Å; L7-A57 HydrophobicContact CD1-CB 3.95Å; L7-Q60 HydrophobicContact CD2-CG 4.24Å |
| 8 | E | 93.9 | Very high | 90.9 | Very high | 71 Ų | 71 | 76.9 Ų | 76.9 | 33% | 0.332 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.4 | -24.8 | 174.9 | -71 | 176.7 | 163.5 | 0 | 0 | 113.2 | I4 I6 T10 V11 T50 V52 A53 | I4-E8 WeakPolarHBondContact O-CG 3.38Å; I4-E8 PolarHBondContact O-N 3.06Å; I6-E8 VanDerWaalsContact C-N 3.31Å; I6-E8 PolarHBondContact O-N 2.75Å; E8-T10 VanDerWaalsContact C-N 3.33Å; E8-V11 VanDerWaalsContact O-CG2 3.28Å; E8-V11 WeakPolarHBondContact O-CG2 3.31Å; E8-T50 WeakPolarHBondContact OE1-CB 2.76Å; E8-T50 WeakPolarHBondContact OE1-CG2 3.49Å; E8-T50 PolarHBondContact OE1-OG1 3.41Å; E8-V52 HydrophobicContact CG-CG1 4.41Å; E8-A53 HydrophobicContact CG-CB 4.21Å |
| 9 | K | 94.4 | Very high | 91.1 | Very high | 71 Ų | 71 | 76.3 Ų | 76.3 | 31% | 0.309 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -80.2 | -12 | 176.1 | -72.5 | 179 | 176.6 | -163.7 | 0 | 113.7 | T5 I6 L7 V11 S12 A21 | T5-K9 WeakPolarHBondContact O-CG 3.42Å; T5-K9 PolarHBondContact O-N 2.96Å; I6-K9 WeakPolarHBondContact O-CB 3.42Å; I6-K9 PolarHBondContact O-N 2.69Å; L7-K9 PolarHBondContact O-N 3.33Å; K9-V11 PolarHBondContact O-N 3.11Å; K9-S12 WeakPolarHBondContact O-CB 3.5Å; K9-S12 PolarHBondContact O-N 2.63Å; K9-S12 VanDerWaalsContact O-N 3.11Å; K9-A21 HydrophobicContact CB-CB 3.88Å |
| 10 | T | 93.9 | Very high | 91.2 | Very high | 30 Ų | 30 | 75.6 Ų | 75.6 | 18% | 0.184 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -6 | 176.8 | 69.8 | 0 | 0 | 0 | 0 | 113.4 | I6 L7 E8 L18 A21 L25 | I6-T10 PolarHBondContact O-N 2.64Å; L7-T10 PolarHBondContact O-N 2.88Å; L7-T10 VanDerWaalsContact O-N 3.16Å; L7-T10 PolarHBondContact O-OG1 3.29Å; E8-T10 VanDerWaalsContact C-N 3.33Å; T10-L18 WeakPolarHBondContact O-CD1 3.29Å; T10-A21 HydrophobicContact CG2-CB 4.08Å; T10-L25 HydrophobicContact CG2-CD1 3.62Å |
| 11 | V | 93.1 | Very high | 91.3 | Very high | 95 Ų | 95 | 72.1 Ų | 72.1 | 58% | 0.576 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | 11.1 | 172.6 | -58.3 | 0 | 0 | 0 | 0 | 112.3 | E8 K9 V52 | E8-V11 VanDerWaalsContact O-CG2 3.28Å; E8-V11 WeakPolarHBondContact O-CG2 3.31Å; K9-V11 PolarHBondContact O-N 3.11Å; V11-V52 HydrophobicContact CB-CG1 4.43Å; V11-V52 HydrophobicContact CG1-CG1 4.03Å; V11-V52 HydrophobicContact CG2-CG1 3.48Å; V11-V52 VanDerWaalsContact CG2-CG1 3.48Å |
| 12 | S | 93.6 | Very high | 93.1 | Very high | 24 Ų | 24 | 69.4 Ų | 69.4 | 17% | 0.168 | 36% | 0.363 | C | S | . | . | trans | -65.5 | 134 | 177.1 | -173.4 | 0 | 0 | 0 | 0 | 110.2 | K9 D14 E17 | K9-S12 WeakPolarHBondContact O-CB 3.5Å; K9-S12 PolarHBondContact O-N 2.63Å; K9-S12 VanDerWaalsContact O-N 3.11Å; S12-D14 PolarHBondContact O-N 3.32Å; S12-D14 PolarHBondContact OG-N 3.29Å; S12-E17 PolarHBondContact OG-OE2 3.37Å | ||
| 13 | P | 92.6 | Very high | 93.5 | Very high | 138 Ų | 138 | 68.9 Ų | 68.9 | 90% | 0.896 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -72.7 | -9.8 | 172.3 | 31.6 | -35.4 | 0 | 0 | 0 | 112.5 | ||
| 14 | D | 95.1 | Very high | 93.7 | Very high | 73 Ų | 73 | 71.4 Ų | 71.4 | 39% | 0.39 | 37% | 0.368 | S | S | . | . | trans | -81.4 | 116.5 | 172.4 | -172.5 | -25.2 | 0 | 0 | 0 | 110.4 | S12 N16 E17 L18 | S12-D14 PolarHBondContact O-N 3.32Å; S12-D14 PolarHBondContact OG-N 3.29Å; D14-N16 VanDerWaalsContact C-N 3.26Å; D14-N16 PolarHBondContact O-N 3.01Å; D14-N16 WeakPolarHBondContact OD1-CB 3.45Å; D14-N16 PolarHBondContact OD1-N 3Å; D14-E17 HydrophobicContact CB-CB 4.2Å; D14-E17 HydrophobicContact CB-CG 4.06Å; D14-E17 PolarHBondContact O-N 2.95Å; D14-E17 VanDerWaalsContact O-N 3.16Å; D14-L18 PolarHBondContact O-N 3.43Å | ||
| 15 | R | 93.1 | Very high | 93.7 | Very high | 184 Ų | 184 | 69.1 Ų | 69.1 | 69% | 0.694 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -54.6 | -38.4 | 178.7 | -177 | 174.3 | 175.9 | 160.1 | 3.4 | 113 | E19 | R15-E19 HydrophobicContact CG-CG 4.36Å; R15-E19 WeakPolarHBondContact CG-OE1 3.16Å; R15-E19 IonicContact CZ-OE1 2.71Å; R15-E19 IonicContact NE-OE1 3.9Å; R15-E19 PolarHBondContact NE-OE1 3.5Å; R15-E19 IonicContact NH2-OE1 2.68Å; R15-E19 PolarHBondContact NH2-OE1 3.05Å; R15-E19 WeakPolarHBondContact O-CB 3.27Å; R15-E19 WeakPolarHBondContact O-CG 3.27Å; R15-E19 PolarHBondContact O-N 3.06Å |
| 16 | N | 94.4 | Very high | 93.7 | Very high | 118 Ų | 118 | 72.6 Ų | 72.6 | 63% | 0.631 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -70.5 | -38.1 | -178.6 | -64.4 | -54.6 | 0 | 0 | 0 | 111.7 | D14 A20 | D14-N16 VanDerWaalsContact C-N 3.26Å; D14-N16 PolarHBondContact O-N 3.01Å; D14-N16 WeakPolarHBondContact OD1-CB 3.45Å; D14-N16 PolarHBondContact OD1-N 3Å; N16-A20 VanDerWaalsContact O-CB 3.25Å; N16-A20 WeakPolarHBondContact O-CB 3.44Å; N16-A20 PolarHBondContact O-N 3.36Å |
| 17 | E | 92.9 | Very high | 93.6 | Very high | 83 Ų | 83 | 76.8 Ų | 76.8 | 39% | 0.388 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69.4 | -40.2 | 176.8 | -67 | -164.9 | 144.3 | 0 | 0 | 111.6 | S12 D14 A20 A21 | S12-E17 PolarHBondContact OG-OE2 3.37Å; D14-E17 HydrophobicContact CB-CB 4.2Å; D14-E17 HydrophobicContact CB-CG 4.06Å; D14-E17 PolarHBondContact O-N 2.95Å; D14-E17 VanDerWaalsContact O-N 3.16Å; E17-A20 PolarHBondContact O-N 3.31Å; E17-A21 WeakPolarHBondContact O-CB 3.25Å; E17-A21 PolarHBondContact O-N 3.27Å |
| 18 | L | 92.4 | Very high | 93.5 | Very high | 49 Ų | 49 | 77.9 Ų | 77.9 | 26% | 0.257 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.1 | -51.6 | 174.9 | 179.6 | 63.1 | 0 | 0 | 0 | 111.4 | T10 D14 A20 A21 Q22 | T10-L18 WeakPolarHBondContact O-CD1 3.29Å; D14-L18 PolarHBondContact O-N 3.43Å; L18-A20 VanDerWaalsContact C-N 3.3Å; L18-A20 PolarHBondContact O-N 2.85Å; L18-A21 PolarHBondContact O-N 3.33Å; L18-Q22 HydrophobicContact CD1-CG 4.39Å; L18-Q22 WeakPolarHBondContact O-CG 3.42Å; L18-Q22 PolarHBondContact O-N 2.87Å |
| 19 | E | 93.1 | Very high | 93.4 | Very high | 64 Ų | 64 | 75.7 Ų | 75.7 | 30% | 0.299 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.9 | -38 | 179 | -75.8 | -178.5 | -166.7 | 0 | 0 | 111.6 | R15 K23 | R15-E19 HydrophobicContact CG-CG 4.36Å; R15-E19 WeakPolarHBondContact CG-OE1 3.16Å; R15-E19 IonicContact CZ-OE1 2.71Å; R15-E19 IonicContact NE-OE1 3.9Å; R15-E19 PolarHBondContact NE-OE1 3.5Å; R15-E19 IonicContact NH2-OE1 2.68Å; R15-E19 PolarHBondContact NH2-OE1 3.05Å; R15-E19 WeakPolarHBondContact O-CB 3.27Å; R15-E19 WeakPolarHBondContact O-CG 3.27Å; R15-E19 PolarHBondContact O-N 3.06Å; E19-K23 WeakPolarHBondContact O-CB 3.34Å; E19-K23 WeakPolarHBondContact O-CG 3.42Å; E19-K23 PolarHBondContact O-N 2.86Å |
| 20 | A | 93.8 | Very high | 93.2 | Very high | 63 Ų | 63 | 78 Ų | 78 | 52% | 0.521 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N16 E17 L18 F24 | N16-A20 VanDerWaalsContact O-CB 3.25Å; N16-A20 WeakPolarHBondContact O-CB 3.44Å; N16-A20 PolarHBondContact O-N 3.36Å; E17-A20 PolarHBondContact O-N 3.31Å; L18-A20 VanDerWaalsContact C-N 3.3Å; L18-A20 PolarHBondContact O-N 2.85Å; A20-F24 PolarHBondContact O-N 3.3Å; A20-F24 VanDerWaalsContact O-N 3.16Å |
| 21 | A | 92.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 83.3 Ų | 83.3 | 2% | 0.017 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I6 K9 T10 E17 L18 F24 L25 | I6-A21 HydrophobicContact CG2-CB 4.1Å; K9-A21 HydrophobicContact CB-CB 3.88Å; T10-A21 HydrophobicContact CG2-CB 4.08Å; E17-A21 WeakPolarHBondContact O-CB 3.25Å; E17-A21 PolarHBondContact O-N 3.27Å; L18-A21 PolarHBondContact O-N 3.33Å; A21-F24 PolarHBondContact O-N 3.18Å; A21-L25 WeakPolarHBondContact O-CG 3.48Å; A21-L25 PolarHBondContact O-N 3.17Å; A21-L25 VanDerWaalsContact O-N 3.1Å |
| 22 | Q | 92.3 | Very high | 93.2 | Very high | 102 Ų | 102 | 82.6 Ų | 82.6 | 48% | 0.477 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.9 | -48.5 | 177 | -74.6 | 176.9 | -16.2 | 0 | 0 | 111.9 | L18 F24 L25 E26 | L18-Q22 HydrophobicContact CD1-CG 4.39Å; L18-Q22 WeakPolarHBondContact O-CG 3.42Å; L18-Q22 PolarHBondContact O-N 2.87Å; Q22-F24 VanDerWaalsContact C-N 3.28Å; Q22-F24 PolarHBondContact O-N 3.19Å; Q22-L25 PolarHBondContact O-N 3.18Å; Q22-L25 VanDerWaalsContact O-N 3.15Å; Q22-E26 WeakPolarHBondContact O-CB 3.35Å; Q22-E26 PolarHBondContact O-N 3.3Å |
| 23 | K | 93.4 | Very high | 93.2 | Very high | 135 Ų | 135 | 82.5 Ų | 82.5 | 59% | 0.587 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -59.7 | -37.6 | 177.2 | -77.3 | 176.7 | -179.9 | 170.3 | 0 | 112.8 | E19 Q27 | E19-K23 WeakPolarHBondContact O-CB 3.34Å; E19-K23 WeakPolarHBondContact O-CG 3.42Å; E19-K23 PolarHBondContact O-N 2.86Å; K23-Q27 VanDerWaalsContact O-CB 3.25Å; K23-Q27 WeakPolarHBondContact O-CB 3.19Å; K23-Q27 PolarHBondContact O-N 3.12Å |
| 24 | F | 94.9 | Very high | 93.3 | Very high | 89 Ų | 89 | 78 Ų | 78 | 39% | 0.39 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 176.3 | -178.5 | -82.9 | 0 | 0 | 0 | 111.6 | I6 A20 A21 Q22 Q27 A28 | I6-F24 HydrophobicContact CB-CD1 4.29Å; I6-F24 HydrophobicContact CD1-CD1 4.39Å; I6-F24 HydrophobicContact CD1-CG 4.26Å; I6-F24 HydrophobicContact CG1-CD1 3.9Å; I6-F24 HydrophobicContact CG1-CE1 4.02Å; I6-F24 HydrophobicContact CG1-CG 4.28Å; I6-F24 HydrophobicContact CG1-CZ 4.5Å; I6-F24 HydrophobicContact CG2-CB 4.26Å; I6-F24 HydrophobicContact CG2-CD1 3.77Å; I6-F24 HydrophobicContact CG2-CG 4.25Å; A20-F24 PolarHBondContact O-N 3.3Å; A20-F24 VanDerWaalsContact O-N 3.16Å; A21-F24 PolarHBondContact O-N 3.18Å; Q22-F24 VanDerWaalsContact C-N 3.28Å; Q22-F24 PolarHBondContact O-N 3.19Å; F24-Q27 PolarHBondContact O-N 3.18Å; F24-A28 WeakPolarHBondContact O-CB 3.33Å; F24-A28 PolarHBondContact O-N 3.18Å |
| 25 | L | 94.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 78 Ų | 78 | 1% | 0.005 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.9 | -41.7 | -179.8 | -65.4 | 169.6 | 0 | 0 | 0 | 111.5 | L3 I6 L7 T10 A21 Q22 A28 A29 F36 Q60 | L3-L25 HydrophobicContact CD1-CD2 4.03Å; I6-L25 HydrophobicContact CG2-CD1 4.41Å; I6-L25 HydrophobicContact CG2-CD2 4.02Å; I6-L25 HydrophobicContact CG2-CG 3.96Å; L7-L25 HydrophobicContact CD2-CD1 4.28Å; L7-L25 HydrophobicContact CD2-CD2 4.1Å; T10-L25 HydrophobicContact CG2-CD1 3.62Å; A21-L25 WeakPolarHBondContact O-CG 3.48Å; A21-L25 PolarHBondContact O-N 3.17Å; A21-L25 VanDerWaalsContact O-N 3.1Å; Q22-L25 PolarHBondContact O-N 3.18Å; Q22-L25 VanDerWaalsContact O-N 3.15Å; L25-A28 PolarHBondContact O-N 3.49Å; L25-A29 PolarHBondContact O-N 3.37Å; L25-F36 HydrophobicContact CB-CZ 4.2Å; L25-F36 HydrophobicContact CD2-CE2 3.94Å; L25-F36 HydrophobicContact CD2-CZ 3.93Å; L25-Q60 HydrophobicContact CD1-CG 4.08Å |
| 26 | E | 92.8 | Very high | 93.4 | Very high | 124 Ų | 124 | 69.9 Ų | 69.9 | 58% | 0.579 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -61.8 | -47.1 | 175.8 | -173.1 | 178.4 | -170.2 | 0 | 0 | 111.4 | Q22 A28 A29 I30 | Q22-E26 WeakPolarHBondContact O-CB 3.35Å; Q22-E26 PolarHBondContact O-N 3.3Å; E26-A28 VanDerWaalsContact C-N 3.34Å; E26-A28 PolarHBondContact O-N 2.88Å; E26-A29 PolarHBondContact O-N 3.31Å; E26-I30 HydrophobicContact CG-CD1 4.16Å; E26-I30 WeakPolarHBondContact O-CG1 3.48Å; E26-I30 PolarHBondContact O-N 3.32Å |
| 27 | Q | 93.1 | Very high | 93.5 | Very high | 97 Ų | 97 | 64.4 Ų | 64.4 | 45% | 0.453 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62 | -41.3 | 176.7 | -175.8 | 62.2 | 32 | 0 | 0 | 111.8 | K23 F24 A29 I30 E31 | K23-Q27 VanDerWaalsContact O-CB 3.25Å; K23-Q27 WeakPolarHBondContact O-CB 3.19Å; K23-Q27 PolarHBondContact O-N 3.12Å; F24-Q27 PolarHBondContact O-N 3.18Å; Q27-A29 VanDerWaalsContact C-N 3.35Å; Q27-A29 PolarHBondContact O-N 3.32Å; Q27-I30 PolarHBondContact O-N 3.05Å; Q27-E31 WeakPolarHBondContact CG-OE1 3.33Å; Q27-E31 PolarHBondContact NE2-OE1 3.28Å; Q27-E31 WeakPolarHBondContact O-CB 3.3Å; Q27-E31 WeakPolarHBondContact O-CG 3.27Å; Q27-E31 PolarHBondContact O-N 3.4Å |
| 28 | A | 92.4 | Very high | 93.7 | Very high | 22 Ų | 22 | 60.9 Ų | 60.9 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F24 L25 E26 E31 N32 F36 | F24-A28 WeakPolarHBondContact O-CB 3.33Å; F24-A28 PolarHBondContact O-N 3.18Å; L25-A28 PolarHBondContact O-N 3.49Å; E26-A28 VanDerWaalsContact C-N 3.34Å; E26-A28 PolarHBondContact O-N 2.88Å; A28-E31 PolarHBondContact O-N 2.89Å; A28-N32 PolarHBondContact O-N 3.35Å; A28-F36 HydrophobicContact CB-CD2 3.72Å; A28-F36 HydrophobicContact CB-CE2 3.84Å; A28-F36 HydrophobicContact CB-CG 4.37Å |
| 29 | A | 92 | Very high | 93.9 | Very high | 25 Ų | 25 | 62.4 Ų | 62.4 | 21% | 0.207 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L25 E26 Q27 L33 F36 | L25-A29 PolarHBondContact O-N 3.37Å; E26-A29 PolarHBondContact O-N 3.31Å; Q27-A29 VanDerWaalsContact C-N 3.35Å; Q27-A29 PolarHBondContact O-N 3.32Å; A29-L33 HydrophobicContact CB-CD1 4.19Å; A29-L33 WeakPolarHBondContact O-CA 3.42Å; A29-L33 WeakPolarHBondContact O-CB 3.44Å; A29-L33 PolarHBondContact O-N 3.08Å; A29-F36 HydrophobicContact CB-CD1 3.76Å; A29-F36 HydrophobicContact CB-CE1 3.78Å |
| 30 | I | 91.7 | Very high | 94.1 | Very high | 121 Ų | 121 | 59.4 Ų | 59.4 | 62% | 0.621 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -68.3 | -40.4 | 177.1 | -66.8 | 165.8 | 0 | 0 | 0 | 111.4 | E26 Q27 | E26-I30 HydrophobicContact CG-CD1 4.16Å; E26-I30 WeakPolarHBondContact O-CG1 3.48Å; E26-I30 PolarHBondContact O-N 3.32Å; Q27-I30 PolarHBondContact O-N 3.05Å |
| 31 | E | 93.4 | Very high | 94.3 | Very high | 140 Ų | 140 | 56.4 Ų | 56.4 | 65% | 0.654 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -67.8 | -47.8 | -177 | -78.2 | 177 | -168.5 | 0 | 0 | 113.1 | Q27 A28 | Q27-E31 WeakPolarHBondContact CG-OE1 3.33Å; Q27-E31 PolarHBondContact NE2-OE1 3.28Å; Q27-E31 WeakPolarHBondContact O-CB 3.3Å; Q27-E31 WeakPolarHBondContact O-CG 3.27Å; Q27-E31 PolarHBondContact O-N 3.4Å; A28-E31 PolarHBondContact O-N 2.89Å |
| 32 | N | 92.8 | Very high | 94.5 | Very high | 80 Ų | 80 | 59.3 Ų | 59.3 | 43% | 0.428 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -157.7 | 80.8 | 179.3 | -170.3 | -31.2 | 0 | 0 | 0 | 111 | A28 P34 T35 F36 | A28-N32 PolarHBondContact O-N 3.35Å; N32-P34 WeakPolarHBondContact OD1-CD 3.35Å; N32-T35 VanDerWaalsContact CG-OG1 3.27Å; N32-T35 PolarHBondContact ND2-OG1 3.14Å; N32-T35 VanDerWaalsContact ND2-OG1 3.15Å; N32-T35 PolarHBondContact O-N 3.25Å; N32-T35 WeakPolarHBondContact OD1-CB 3.4Å; N32-T35 PolarHBondContact OD1-N 2.99Å; N32-T35 PolarHBondContact OD1-OG1 3.01Å; N32-F36 VanDerWaalsContact O-CB 3.3Å; N32-F36 WeakPolarHBondContact O-CB 3.27Å; N32-F36 PolarHBondContact O-N 3.27Å |
| 33 | L | 93.3 | Very high | 94.7 | Very high | 23 Ų | 23 | 55 Ų | 55 | 12% | 0.12 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -51.8 | -46.7 | 179.2 | -174.9 | 66 | 0 | 0 | 0 | 113.6 | A29 T35 F36 L37 R79 I83 | A29-L33 HydrophobicContact CB-CD1 4.19Å; A29-L33 WeakPolarHBondContact O-CA 3.42Å; A29-L33 WeakPolarHBondContact O-CB 3.44Å; A29-L33 PolarHBondContact O-N 3.08Å; L33-T35 PolarHBondContact O-N 2.86Å; L33-F36 HydrophobicContact CD1-CD1 4.5Å; L33-F36 PolarHBondContact O-N 2.98Å; L33-L37 HydrophobicContact CD1-CD1 3.98Å; L33-L37 HydrophobicContact CD1-CD2 4.37Å; L33-L37 HydrophobicContact CD1-CG 3.95Å; L33-L37 HydrophobicContact CG-CD1 3.95Å; L33-L37 HydrophobicContact CG-CG 4.29Å; L33-L37 WeakPolarHBondContact O-CG 3.46Å; L33-L37 PolarHBondContact O-N 3.22Å; L33-R79 HydrophobicContact CD2-CG 3.85Å; L33-I83 HydrophobicContact CD2-CD1 4.19Å; L33-I83 HydrophobicContact CG-CD1 4.31Å |
| 34 | P | 94.8 | Very high | 94.8 | Very high | 42 Ų | 42 | 48.6 Ų | 48.6 | 27% | 0.273 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.8 | -48.1 | 179.3 | -25.9 | 33.9 | 0 | 0 | 0 | 113.4 | N32 V38 I83 A87 | N32-P34 WeakPolarHBondContact OD1-CD 3.35Å; P34-V38 WeakPolarHBondContact O-CG2 3.36Å; P34-V38 PolarHBondContact O-N 3.37Å; P34-V38 VanDerWaalsContact O-N 3.12Å; P34-I83 HydrophobicContact CB-CG2 3.84Å; P34-I83 HydrophobicContact CG-CG1 4.27Å; P34-I83 HydrophobicContact CG-CG2 3.88Å; P34-A87 HydrophobicContact CB-CB 4.29Å |
| 35 | T | 94.7 | Very high | 94.9 | Very high | 73 Ų | 73 | 45.1 Ų | 45.1 | 45% | 0.448 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -69.9 | -38.7 | -178.6 | -56.9 | 0 | 0 | 0 | 0 | 110.9 | N32 L33 V38 E39 | N32-T35 VanDerWaalsContact CG-OG1 3.27Å; N32-T35 PolarHBondContact ND2-OG1 3.14Å; N32-T35 VanDerWaalsContact ND2-OG1 3.15Å; N32-T35 PolarHBondContact O-N 3.25Å; N32-T35 WeakPolarHBondContact OD1-CB 3.4Å; N32-T35 PolarHBondContact OD1-N 2.99Å; N32-T35 PolarHBondContact OD1-OG1 3.01Å; L33-T35 PolarHBondContact O-N 2.86Å; T35-V38 PolarHBondContact O-N 2.88Å; T35-E39 WeakPolarHBondContact O-CG 3.44Å; T35-E39 PolarHBondContact O-N 3.39Å |
| 36 | F | 95.4 | Very high | 95 | Very high | 15 Ų | 15 | 48.8 Ų | 48.8 | 7% | 0.066 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.1 | -48.5 | 176.3 | 178.9 | -118.7 | 0 | 0 | 0 | 111.9 | L3 L25 A28 A29 N32 L33 V38 E39 L40 | L3-F36 HydrophobicContact CD1-CE2 4.29Å; L25-F36 HydrophobicContact CB-CZ 4.2Å; L25-F36 HydrophobicContact CD2-CE2 3.94Å; L25-F36 HydrophobicContact CD2-CZ 3.93Å; A28-F36 HydrophobicContact CB-CD2 3.72Å; A28-F36 HydrophobicContact CB-CE2 3.84Å; A28-F36 HydrophobicContact CB-CG 4.37Å; A29-F36 HydrophobicContact CB-CD1 3.76Å; A29-F36 HydrophobicContact CB-CE1 3.78Å; N32-F36 VanDerWaalsContact O-CB 3.3Å; N32-F36 WeakPolarHBondContact O-CB 3.27Å; N32-F36 PolarHBondContact O-N 3.27Å; L33-F36 HydrophobicContact CD1-CD1 4.5Å; L33-F36 PolarHBondContact O-N 2.98Å; F36-V38 PolarHBondContact O-N 2.76Å; F36-E39 PolarHBondContact O-N 3.4Å; F36-L40 HydrophobicContact CD1-CD1 3.82Å; F36-L40 HydrophobicContact CD2-CD1 4.32Å; F36-L40 HydrophobicContact CD2-CG 4.36Å; F36-L40 HydrophobicContact CE1-CD1 3.42Å; F36-L40 VanDerWaalsContact CE1-CD1 3.42Å; F36-L40 HydrophobicContact CE1-CG 4.4Å; F36-L40 HydrophobicContact CE2-CD1 3.96Å; F36-L40 HydrophobicContact CE2-CD2 4.22Å; F36-L40 HydrophobicContact CE2-CG 4.08Å; F36-L40 HydrophobicContact CG-CD1 4.27Å; F36-L40 HydrophobicContact CZ-CD1 3.51Å; F36-L40 HydrophobicContact CZ-CD2 4.27Å; F36-L40 HydrophobicContact CZ-CG 4.12Å; F36-L40 WeakPolarHBondContact O-CG 3.47Å; F36-L40 PolarHBondContact O-N 3.08Å |
| 37 | L | 96.9 | Very high | 95 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.3 | -37.3 | 178.3 | -67.2 | 177 | 0 | 0 | 0 | 112.6 | L33 L40 S41 V61 W80 I83 I91 | L33-L37 HydrophobicContact CD1-CD1 3.98Å; L33-L37 HydrophobicContact CD1-CD2 4.37Å; L33-L37 HydrophobicContact CD1-CG 3.95Å; L33-L37 HydrophobicContact CG-CD1 3.95Å; L33-L37 HydrophobicContact CG-CG 4.29Å; L33-L37 WeakPolarHBondContact O-CG 3.46Å; L33-L37 PolarHBondContact O-N 3.22Å; L37-L40 HydrophobicContact CD2-CD1 4.34Å; L37-L40 PolarHBondContact O-N 2.85Å; L37-S41 WeakPolarHBondContact O-CB 3.21Å; L37-S41 PolarHBondContact O-N 2.91Å; L37-S41 PolarHBondContact O-OG 3.01Å; L37-V61 HydrophobicContact CD2-CG2 4.34Å; L37-W80 HydrophobicContact CD1-CE3 4.03Å; L37-W80 HydrophobicContact CD1-CZ3 3.9Å; L37-I83 HydrophobicContact CD1-CD1 3.95Å; L37-I91 HydrophobicContact CB-CD1 3.54Å; L37-I91 HydrophobicContact CB-CG1 4.33Å |
| 38 | V | 97.1 | Very high | 95.1 | Very high | 9 Ų | 9 | 45.6 Ų | 45.6 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60 | -49.7 | 173.4 | 168.6 | 0 | 0 | 0 | 0 | 110.6 | P34 T35 F36 L40 S41 K42 A87 E90 I91 | P34-V38 WeakPolarHBondContact O-CG2 3.36Å; P34-V38 PolarHBondContact O-N 3.37Å; P34-V38 VanDerWaalsContact O-N 3.12Å; T35-V38 PolarHBondContact O-N 2.88Å; F36-V38 PolarHBondContact O-N 2.76Å; V38-L40 PolarHBondContact O-N 3.33Å; V38-S41 PolarHBondContact O-N 3.04Å; V38-S41 PolarHBondContact O-OG 3.3Å; V38-K42 HydrophobicContact CG1-CD 4.36Å; V38-K42 WeakPolarHBondContact O-CG 3.44Å; V38-K42 PolarHBondContact O-N 3.35Å; V38-A87 HydrophobicContact CG2-CB 4.41Å; V38-E90 HydrophobicContact CG1-CG 4.25Å; V38-E90 WeakPolarHBondContact CG1-OE1 3.5Å; V38-I91 HydrophobicContact CB-CG1 4.4Å; V38-I91 HydrophobicContact CG2-CD1 3.98Å; V38-I91 HydrophobicContact CG2-CG1 3.7Å |
| 39 | E | 96.8 | Very high | 95.2 | Very high | 81 Ų | 81 | 46 Ų | 46 | 38% | 0.379 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.4 | -38.8 | -179.5 | -68.3 | -57.1 | 124.3 | 0 | 0 | 112.5 | L3 T35 F36 K42 V43 | L3-E39 HydrophobicContact CD2-CB 3.86Å; T35-E39 WeakPolarHBondContact O-CG 3.44Å; T35-E39 PolarHBondContact O-N 3.39Å; F36-E39 PolarHBondContact O-N 3.4Å; E39-K42 PolarHBondContact O-N 3.08Å; E39-K42 IonicContact OE1-NZ 2.85Å; E39-K42 PolarHBondContact OE1-NZ 3.39Å; E39-V43 WeakPolarHBondContact O-CG2 3.5Å; E39-V43 PolarHBondContact O-N 3.06Å; E39-V43 VanDerWaalsContact O-N 3.08Å |
| 40 | L | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 172.2 | -70 | 172.5 | 0 | 0 | 0 | 111.8 | L3 L7 F36 L37 V38 K42 V43 L44 A57 Q60 V61 | L3-L40 HydrophobicContact CD1-CD2 4.41Å; L3-L40 HydrophobicContact CD2-CD2 4.19Å; L7-L40 HydrophobicContact CD1-CD2 4.17Å; L7-L40 HydrophobicContact CD2-CD2 4.02Å; F36-L40 HydrophobicContact CD1-CD1 3.82Å; F36-L40 HydrophobicContact CD2-CD1 4.32Å; F36-L40 HydrophobicContact CD2-CG 4.36Å; F36-L40 HydrophobicContact CE1-CD1 3.42Å; F36-L40 VanDerWaalsContact CE1-CD1 3.42Å; F36-L40 HydrophobicContact CE1-CG 4.4Å; F36-L40 HydrophobicContact CE2-CD1 3.96Å; F36-L40 HydrophobicContact CE2-CD2 4.22Å; F36-L40 HydrophobicContact CE2-CG 4.08Å; F36-L40 HydrophobicContact CG-CD1 4.27Å; F36-L40 HydrophobicContact CZ-CD1 3.51Å; F36-L40 HydrophobicContact CZ-CD2 4.27Å; F36-L40 HydrophobicContact CZ-CG 4.12Å; F36-L40 WeakPolarHBondContact O-CG 3.47Å; F36-L40 PolarHBondContact O-N 3.08Å; L37-L40 HydrophobicContact CD2-CD1 4.34Å; L37-L40 PolarHBondContact O-N 2.85Å; V38-L40 PolarHBondContact O-N 3.33Å; L40-K42 VanDerWaalsContact C-N 3.3Å; L40-K42 PolarHBondContact O-N 3.05Å; L40-V43 PolarHBondContact O-N 2.98Å; L40-V43 VanDerWaalsContact O-N 3.13Å; L40-L44 PolarHBondContact O-N 3.05Å; L40-A57 HydrophobicContact CB-CB 4.48Å; L40-A57 HydrophobicContact CD2-CB 4.19Å; L40-Q60 HydrophobicContact CD1-CB 3.63Å; L40-Q60 HydrophobicContact CD2-CB 4.21Å; L40-V61 HydrophobicContact CB-CG2 3.69Å; L40-V61 HydrophobicContact CD1-CG2 4.14Å |
| 41 | S | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.8 | -34.5 | 179.4 | 73.3 | 0 | 0 | 0 | 0 | 112.6 | L37 V38 L44 A45 Y94 | L37-S41 WeakPolarHBondContact O-CB 3.21Å; L37-S41 PolarHBondContact O-N 2.91Å; L37-S41 PolarHBondContact O-OG 3.01Å; V38-S41 PolarHBondContact O-N 3.04Å; V38-S41 PolarHBondContact O-OG 3.3Å; S41-L44 PolarHBondContact O-N 2.95Å; S41-A45 VanDerWaalsContact O-CB 3.29Å; S41-A45 WeakPolarHBondContact O-CB 3.43Å; S41-A45 PolarHBondContact O-N 3.4Å; S41-Y94 WeakPolarHBondContact OG-CD2 3.49Å |
| 42 | K | 97.1 | Very high | 95.4 | Very high | 63 Ų | 63 | 42.8 Ų | 42.8 | 27% | 0.274 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66 | -41.2 | 172 | -71.2 | 172.2 | -171.7 | 164.6 | 0 | 112.2 | V38 E39 L40 L44 A45 N46 E90 Y94 | V38-K42 HydrophobicContact CG1-CD 4.36Å; V38-K42 WeakPolarHBondContact O-CG 3.44Å; V38-K42 PolarHBondContact O-N 3.35Å; E39-K42 PolarHBondContact O-N 3.08Å; E39-K42 IonicContact OE1-NZ 2.85Å; E39-K42 PolarHBondContact OE1-NZ 3.39Å; L40-K42 VanDerWaalsContact C-N 3.3Å; L40-K42 PolarHBondContact O-N 3.05Å; K42-L44 VanDerWaalsContact C-N 3.33Å; K42-A45 PolarHBondContact O-N 3.46Å; K42-N46 WeakPolarHBondContact O-CB 3.45Å; K42-N46 PolarHBondContact O-N 3.1Å; K42-N46 VanDerWaalsContact O-N 3.16Å; K42-E90 WeakPolarHBondContact CE-OE1 3.34Å; K42-E90 IonicContact NZ-OE1 2.82Å; K42-Y94 HydrophobicContact CD-CE2 4.2Å; K42-Y94 HydrophobicContact CG-CD2 3.94Å; K42-Y94 HydrophobicContact CG-CE1 4.17Å; K42-Y94 HydrophobicContact CG-CE2 3.42Å; K42-Y94 VanDerWaalsContact CG-CE2 3.42Å; K42-Y94 HydrophobicContact CG-CG 4.5Å |
| 43 | V | 96.9 | Very high | 95.5 | Very high | 12 Ų | 12 | 39 Ų | 39 | 7% | 0.073 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.1 | -45.2 | 176.2 | 172.5 | 0 | 0 | 0 | 0 | 110.2 | L3 I4 L7 E39 L40 N49 A53 A57 | L3-V43 HydrophobicContact CD2-CG2 4.17Å; I4-V43 HydrophobicContact CG1-CG1 4.35Å; I4-V43 HydrophobicContact CG1-CG2 4.12Å; L7-V43 HydrophobicContact CD1-CB 4.45Å; L7-V43 HydrophobicContact CD1-CG1 3.85Å; L7-V43 HydrophobicContact CD1-CG2 4.5Å; E39-V43 WeakPolarHBondContact O-CG2 3.5Å; E39-V43 PolarHBondContact O-N 3.06Å; E39-V43 VanDerWaalsContact O-N 3.08Å; L40-V43 PolarHBondContact O-N 2.98Å; L40-V43 VanDerWaalsContact O-N 3.13Å; V43-N49 WeakPolarHBondContact CA-ND2 3.47Å; V43-N49 PolarHBondContact O-ND2 3.34Å; V43-A53 HydrophobicContact CG1-CB 4.26Å; V43-A57 HydrophobicContact CB-CB 4.05Å; V43-A57 HydrophobicContact CG1-CB 3.88Å |
| 44 | L | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.1 | -43.9 | 177.3 | 174.3 | 61 | 0 | 0 | 0 | 112.4 | L40 S41 K42 N46 R54 A57 T98 | L40-L44 PolarHBondContact O-N 3.05Å; S41-L44 PolarHBondContact O-N 2.95Å; K42-L44 VanDerWaalsContact C-N 3.33Å; L44-N46 PolarHBondContact O-N 3.39Å; L44-R54 HydrophobicContact CD1-CB 4.46Å; L44-R54 WeakPolarHBondContact CD1-O 3.33Å; L44-R54 PolarHBondContact O-NE 3.43Å; L44-R54 PolarHBondContact O-NH2 3Å; L44-A57 HydrophobicContact CB-CB 4.26Å; L44-T98 HydrophobicContact CD1-CG2 4.03Å; L44-T98 HydrophobicContact CG-CG2 3.93Å |
| 45 | A | 96.9 | Very high | 95.6 | Very high | 17 Ų | 17 | 38.3 Ų | 38.3 | 14% | 0.14 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -74.7 | -21.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S41 K42 P47 Y94 T98 | S41-A45 VanDerWaalsContact O-CB 3.29Å; S41-A45 WeakPolarHBondContact O-CB 3.43Å; S41-A45 PolarHBondContact O-N 3.4Å; K42-A45 PolarHBondContact O-N 3.46Å; A45-P47 WeakPolarHBondContact O-CD 3.47Å; A45-Y94 HydrophobicContact CB-CD1 3.86Å; A45-Y94 HydrophobicContact CB-CG 4.32Å; A45-T98 WeakPolarHBondContact CA-OG1 3.39Å; A45-T98 WeakPolarHBondContact CB-OG1 3.41Å |
| 46 | N | 96.1 | Very high | 95.6 | Very high | 78 Ų | 78 | 35.2 Ų | 35.2 | 42% | 0.417 | 21% | 0.208 | S | C | . | . | trans | -83.8 | 112.4 | -177.5 | -177.8 | -0.5 | 0 | 0 | 0 | 111.9 | K42 L44 G48 N49 | K42-N46 WeakPolarHBondContact O-CB 3.45Å; K42-N46 PolarHBondContact O-N 3.1Å; K42-N46 VanDerWaalsContact O-N 3.16Å; L44-N46 PolarHBondContact O-N 3.39Å; N46-G48 PolarHBondContact O-N 3.17Å; N46-G48 VanDerWaalsContact O-N 3.17Å; N46-G48 PolarHBondContact OD1-N 2.93Å; N46-N49 PolarHBondContact O-N 3.25Å | ||
| 47 | P | 93.4 | Very high | 95.7 | Very high | 85 Ų | 85 | 34.5 Ų | 34.5 | 55% | 0.552 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -13.1 | -179.3 | -17 | 33.3 | 0 | 0 | 0 | 113.9 | A45 N49 | A45-P47 WeakPolarHBondContact O-CD 3.47Å; P47-N49 VanDerWaalsContact C-N 3.29Å |
| 48 | G | 93.5 | Very high | 95.7 | Very high | 68 Ų | 68 | 34.4 Ų | 34.4 | 70% | 0.701 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -12.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N46 | N46-G48 PolarHBondContact O-N 3.17Å; N46-G48 VanDerWaalsContact O-N 3.17Å; N46-G48 PolarHBondContact OD1-N 2.93Å |
| 49 | N | 94.7 | Very high | 95.6 | Very high | 30 Ų | 30 | 37.6 Ų | 37.6 | 16% | 0.16 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -78.2 | 158.8 | 176.3 | -69.5 | -23.2 | 0 | 0 | 0 | 111.6 | I4 V43 N46 P47 R54 | I4-N49 WeakPolarHBondContact CD1-OD1 3.44Å; V43-N49 WeakPolarHBondContact CA-ND2 3.47Å; V43-N49 PolarHBondContact O-ND2 3.34Å; N46-N49 PolarHBondContact O-N 3.25Å; P47-N49 VanDerWaalsContact C-N 3.29Å; N49-R54 HydrophobicContact CB-CG 3.91Å |
| 50 | T | 93.8 | Very high | 95.5 | Very high | 64 Ų | 64 | 35.7 Ų | 35.7 | 39% | 0.393 | 21% | 0.212 | S | C | . | . | trans | -63.3 | 147.9 | 175.2 | 62.8 | 0 | 0 | 0 | 0 | 110.7 | E8 V52 A53 R54 | E8-T50 WeakPolarHBondContact OE1-CB 2.76Å; E8-T50 WeakPolarHBondContact OE1-CG2 3.49Å; E8-T50 PolarHBondContact OE1-OG1 3.41Å; T50-V52 PolarHBondContact O-N 2.92Å; T50-A53 PolarHBondContact O-N 2.99Å; T50-A53 VanDerWaalsContact OG1-CB 3.31Å; T50-A53 WeakPolarHBondContact OG1-CB 3.49Å; T50-A53 PolarHBondContact OG1-N 3.42Å; T50-R54 WeakPolarHBondContact O-CG 3.48Å; T50-R54 PolarHBondContact O-N 2.95Å; T50-R54 VanDerWaalsContact O-N 3.08Å | ||
| 51 | Q | 93.5 | Very high | 95.5 | Very high | 97 Ų | 97 | 35.7 Ų | 35.7 | 45% | 0.453 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -55.4 | -42.5 | 177.7 | -176 | -179.1 | 47.9 | 0 | 0 | 111.4 | A53 R54 V55 Y104 | Q51-A53 PolarHBondContact O-N 3.27Å; Q51-R54 PolarHBondContact O-N 3.19Å; Q51-V55 HydrophobicContact CG-CG2 4.34Å; Q51-V55 VanDerWaalsContact O-CG2 3.31Å; Q51-V55 WeakPolarHBondContact O-CG2 3.43Å; Q51-V55 PolarHBondContact O-N 3.15Å; Q51-Y104 HydrophobicContact CG-CD2 4.39Å |
| 52 | V | 93.9 | Very high | 95.4 | Very high | 59 Ų | 59 | 38 Ų | 38 | 36% | 0.358 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.9 | -49.9 | 177.8 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | E8 V11 T50 R54 V55 A56 | E8-V52 HydrophobicContact CG-CG1 4.41Å; V11-V52 HydrophobicContact CB-CG1 4.43Å; V11-V52 HydrophobicContact CG1-CG1 4.03Å; V11-V52 HydrophobicContact CG2-CG1 3.48Å; V11-V52 VanDerWaalsContact CG2-CG1 3.48Å; T50-V52 PolarHBondContact O-N 2.92Å; V52-R54 VanDerWaalsContact C-N 3.34Å; V52-R54 PolarHBondContact O-N 3.18Å; V52-V55 PolarHBondContact O-N 3.21Å; V52-A56 VanDerWaalsContact O-CB 3.24Å; V52-A56 WeakPolarHBondContact O-CB 2.93Å; V52-A56 PolarHBondContact O-N 3.12Å |
| 53 | A | 95.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.4 | -39.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I4 L7 E8 V43 T50 Q51 A57 | I4-A53 HydrophobicContact CG2-CB 3.85Å; L7-A53 HydrophobicContact CB-CB 4.46Å; E8-A53 HydrophobicContact CG-CB 4.21Å; V43-A53 HydrophobicContact CG1-CB 4.26Å; T50-A53 PolarHBondContact O-N 2.99Å; T50-A53 VanDerWaalsContact OG1-CB 3.31Å; T50-A53 WeakPolarHBondContact OG1-CB 3.49Å; T50-A53 PolarHBondContact OG1-N 3.42Å; Q51-A53 PolarHBondContact O-N 3.27Å; A53-A57 VanDerWaalsContact O-CB 3.26Å; A53-A57 WeakPolarHBondContact O-CB 3.3Å; A53-A57 PolarHBondContact O-N 2.79Å |
| 54 | R | 96.4 | Very high | 95.2 | Very high | 16 Ų | 16 | 38.6 Ų | 38.6 | 6% | 0.06 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.1 | -48.8 | 177.5 | -66 | -178.7 | 70.8 | -167.3 | 1.3 | 111.8 | L44 N49 T50 Q51 V52 A57 G58 T101 | L44-R54 HydrophobicContact CD1-CB 4.46Å; L44-R54 WeakPolarHBondContact CD1-O 3.33Å; L44-R54 PolarHBondContact O-NE 3.43Å; L44-R54 PolarHBondContact O-NH2 3Å; N49-R54 HydrophobicContact CB-CG 3.91Å; T50-R54 WeakPolarHBondContact O-CG 3.48Å; T50-R54 PolarHBondContact O-N 2.95Å; T50-R54 VanDerWaalsContact O-N 3.08Å; Q51-R54 PolarHBondContact O-N 3.19Å; V52-R54 VanDerWaalsContact C-N 3.34Å; V52-R54 PolarHBondContact O-N 3.18Å; R54-A57 PolarHBondContact O-N 3.45Å; R54-G58 PolarHBondContact O-N 3.38Å; R54-T101 PolarHBondContact NH1-O 3.44Å; R54-T101 PolarHBondContact NH2-OG1 3.15Å |
| 55 | V | 95.1 | Very high | 95 | Very high | 35 Ų | 35 | 38.7 Ų | 38.7 | 21% | 0.212 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.2 | -45.6 | 178.8 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | Q51 V52 A57 G58 L59 Y104 | Q51-V55 HydrophobicContact CG-CG2 4.34Å; Q51-V55 VanDerWaalsContact O-CG2 3.31Å; Q51-V55 WeakPolarHBondContact O-CG2 3.43Å; Q51-V55 PolarHBondContact O-N 3.15Å; V52-V55 PolarHBondContact O-N 3.21Å; V55-A57 VanDerWaalsContact C-N 3.32Å; V55-A57 PolarHBondContact O-N 3.14Å; V55-G58 PolarHBondContact O-N 3.34Å; V55-L59 WeakPolarHBondContact O-CB 3.3Å; V55-L59 PolarHBondContact O-N 3.2Å; V55-Y104 HydrophobicContact CG1-CE1 4.28Å; V55-Y104 HydrophobicContact CG2-CD1 3.59Å; V55-Y104 HydrophobicContact CG2-CD2 4.36Å; V55-Y104 HydrophobicContact CG2-CE1 4.01Å; V55-Y104 HydrophobicContact CG2-CG 3.78Å |
| 56 | A | 94.9 | Very high | 94.8 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.6 | -40.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L7 V52 L59 Q60 | L7-A56 HydrophobicContact CB-CB 3.99Å; L7-A56 HydrophobicContact CD2-CB 3.97Å; V52-A56 VanDerWaalsContact O-CB 3.24Å; V52-A56 WeakPolarHBondContact O-CB 2.93Å; V52-A56 PolarHBondContact O-N 3.12Å; A56-L59 PolarHBondContact O-N 2.81Å; A56-Q60 WeakPolarHBondContact O-CG 3.1Å; A56-Q60 PolarHBondContact O-N 2.96Å |
| 57 | A | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.7 | -47.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L7 L40 V43 L44 A53 R54 V55 L59 Q60 V61 | L7-A57 HydrophobicContact CD1-CB 3.95Å; L40-A57 HydrophobicContact CB-CB 4.48Å; L40-A57 HydrophobicContact CD2-CB 4.19Å; V43-A57 HydrophobicContact CB-CB 4.05Å; V43-A57 HydrophobicContact CG1-CB 3.88Å; L44-A57 HydrophobicContact CB-CB 4.26Å; A53-A57 VanDerWaalsContact O-CB 3.26Å; A53-A57 WeakPolarHBondContact O-CB 3.3Å; A53-A57 PolarHBondContact O-N 2.79Å; R54-A57 PolarHBondContact O-N 3.45Å; V55-A57 VanDerWaalsContact C-N 3.32Å; V55-A57 PolarHBondContact O-N 3.14Å; A57-L59 VanDerWaalsContact C-N 3.31Å; A57-L59 PolarHBondContact O-N 3.11Å; A57-Q60 PolarHBondContact O-N 3.33Å; A57-V61 WeakPolarHBondContact O-CG2 3.46Å; A57-V61 PolarHBondContact O-N 3.33Å |
| 58 | G | 96.2 | Very high | 94.2 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.4 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R54 V55 Q60 V61 K62 C112 | R54-G58 PolarHBondContact O-N 3.38Å; V55-G58 PolarHBondContact O-N 3.34Å; G58-Q60 PolarHBondContact O-N 3.28Å; G58-V61 PolarHBondContact O-N 2.81Å; G58-K62 WeakPolarHBondContact O-CB 3.32Å; G58-K62 PolarHBondContact O-N 3.5Å; G58-C112 PolarHBondContact O-SG 3.33Å |
| 59 | L | 94.7 | Very high | 93.5 | Very high | 75 Ų | 75 | 44 Ų | 44 | 39% | 0.393 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.5 | -41.7 | 175.9 | -175.1 | 60.9 | 0 | 0 | 0 | 112.3 | V55 A56 A57 K62 N63 | V55-L59 WeakPolarHBondContact O-CB 3.3Å; V55-L59 PolarHBondContact O-N 3.2Å; A56-L59 PolarHBondContact O-N 2.81Å; A57-L59 VanDerWaalsContact C-N 3.31Å; A57-L59 PolarHBondContact O-N 3.11Å; L59-K62 PolarHBondContact O-N 2.91Å; L59-N63 WeakPolarHBondContact O-CB 3.16Å; L59-N63 PolarHBondContact O-N 3.04Å; L59-N63 PolarHBondContact O-OD1 2.96Å |
| 60 | Q | 96.2 | Very high | 92.8 | Very high | 41 Ų | 41 | 47 Ų | 47 | 19% | 0.192 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.5 | -39.5 | 176.3 | -67.3 | -58.5 | -46.2 | 0 | 0 | 112.4 | L7 L25 L40 A56 A57 G58 S64 | L7-Q60 HydrophobicContact CD2-CG 4.24Å; L25-Q60 HydrophobicContact CD1-CG 4.08Å; L40-Q60 HydrophobicContact CD1-CB 3.63Å; L40-Q60 HydrophobicContact CD2-CB 4.21Å; A56-Q60 WeakPolarHBondContact O-CG 3.1Å; A56-Q60 PolarHBondContact O-N 2.96Å; A57-Q60 PolarHBondContact O-N 3.33Å; G58-Q60 PolarHBondContact O-N 3.28Å; Q60-S64 PolarHBondContact O-N 3.43Å; Q60-S64 PolarHBondContact O-OG 2.97Å |
| 61 | V | 96.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.9 | -50 | 174 | 173.2 | 0 | 0 | 0 | 0 | 110 | L37 L40 A57 G58 N63 S64 L65 C112 | L37-V61 HydrophobicContact CD2-CG2 4.34Å; L40-V61 HydrophobicContact CB-CG2 3.69Å; L40-V61 HydrophobicContact CD1-CG2 4.14Å; A57-V61 WeakPolarHBondContact O-CG2 3.46Å; A57-V61 PolarHBondContact O-N 3.33Å; G58-V61 PolarHBondContact O-N 2.81Å; V61-N63 PolarHBondContact O-N 3.2Å; V61-S64 WeakPolarHBondContact O-CB 3.31Å; V61-S64 PolarHBondContact O-N 3.17Å; V61-S64 VanDerWaalsContact O-N 3.13Å; V61-L65 HydrophobicContact CG1-CD1 3.86Å; V61-L65 WeakPolarHBondContact O-CD1 3.37Å; V61-L65 WeakPolarHBondContact O-CG 3.26Å; V61-C112 HydrophobicContact CG1-CB 4.08Å |
| 62 | K | 95.9 | Very high | 91.8 | Very high | 48 Ų | 48 | 46.3 Ų | 46.3 | 21% | 0.209 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57 | -50.9 | 178.1 | -175.2 | -172 | 76 | 171.6 | 0 | 112.3 | G58 L59 S64 L65 T66 Q111 | G58-K62 WeakPolarHBondContact O-CB 3.32Å; G58-K62 PolarHBondContact O-N 3.5Å; L59-K62 PolarHBondContact O-N 2.91Å; K62-S64 PolarHBondContact O-N 3.42Å; K62-S64 VanDerWaalsContact O-N 3.09Å; K62-L65 PolarHBondContact O-N 3.26Å; K62-T66 HydrophobicContact CG-CG2 3.8Å; K62-T66 PolarHBondContact O-N 3.23Å; K62-Q111 HydrophobicContact CD-CB 3.77Å; K62-Q111 HydrophobicContact CD-CG 4.38Å; K62-Q111 HydrophobicContact CG-CB 4.37Å |
| 63 | N | 94.4 | Very high | 91.5 | Very high | 75 Ų | 75 | 45.8 Ų | 45.8 | 40% | 0.401 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.5 | -12.7 | -178.1 | -68.6 | -3.8 | 0 | 0 | 0 | 113 | L59 V61 Y76 | L59-N63 WeakPolarHBondContact O-CB 3.16Å; L59-N63 PolarHBondContact O-N 3.04Å; L59-N63 PolarHBondContact O-OD1 2.96Å; V61-N63 PolarHBondContact O-N 3.2Å; N63-Y76 WeakPolarHBondContact O-CE2 3.44Å |
| 64 | S | 94.8 | Very high | 91.1 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -13 | 172.5 | -58.9 | 0 | 0 | 0 | 0 | 113.4 | Q60 V61 K62 R79 | Q60-S64 PolarHBondContact O-N 3.43Å; Q60-S64 PolarHBondContact O-OG 2.97Å; V61-S64 WeakPolarHBondContact O-CB 3.31Å; V61-S64 PolarHBondContact O-N 3.17Å; V61-S64 VanDerWaalsContact O-N 3.13Å; K62-S64 PolarHBondContact O-N 3.42Å; K62-S64 VanDerWaalsContact O-N 3.09Å; S64-R79 PolarHBondContact O-NH2 3.3Å |
| 65 | L | 93.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | -32.1 | -171.4 | -66.5 | 163.9 | 0 | 0 | 0 | 113.5 | V61 K62 W80 I116 | V61-L65 HydrophobicContact CG1-CD1 3.86Å; V61-L65 WeakPolarHBondContact O-CD1 3.37Å; V61-L65 WeakPolarHBondContact O-CG 3.26Å; K62-L65 PolarHBondContact O-N 3.26Å; L65-W80 HydrophobicContact CD2-CB 3.97Å; L65-W80 HydrophobicContact CD2-CD2 3.58Å; L65-W80 HydrophobicContact CD2-CE3 3.56Å; L65-W80 HydrophobicContact CD2-CG 3.76Å; L65-W80 HydrophobicContact CD2-CZ3 4.26Å; L65-I116 HydrophobicContact CD1-CD1 4.37Å; L65-I116 HydrophobicContact CD1-CG1 3.5Å; L65-I116 VanDerWaalsContact CD1-CG1 3.5Å; L65-I116 HydrophobicContact CD2-CG1 4.08Å; L65-I116 HydrophobicContact CG-CG1 4.45Å |
| 66 | T | 92.6 | Very high | 90.8 | Very high | 30 Ų | 30 | 55.7 Ų | 55.7 | 18% | 0.184 | 29% | 0.289 | C | S | . | . | trans | -137.9 | 158.5 | -175.6 | -166.9 | 0 | 0 | 0 | 0 | 112.1 | K62 | K62-T66 HydrophobicContact CG-CG2 3.8Å; K62-T66 PolarHBondContact O-N 3.23Å | ||
| 67 | S | 91.1 | Very high | 90.7 | Very high | 43 Ų | 43 | 57 Ų | 57 | 30% | 0.301 | 29% | 0.294 | S | S | . | . | trans | -143.8 | 157.7 | 175.4 | -175.3 | 0 | 0 | 0 | 0 | 109.1 | D69 | S67-D69 PolarHBondContact OG-N 2.98Å; S67-D69 VanDerWaalsContact OG-N 3.15Å | ||
| 68 | K | 84.5 | Confident | 90.5 | Very high | 215 Ų | 215 | 62.6 Ų | 62.6 | 94% | 0.935 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -70.1 | -23.9 | 167 | -68.2 | -171.2 | 175.1 | -170 | 0 | 111.8 | P70 | K68-P70 WeakPolarHBondContact O-CD 3.31Š|
| 69 | D | 80.1 | Confident | 90.5 | Very high | 71 Ų | 71 | 67.2 Ų | 67.2 | 38% | 0.38 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -80.3 | 118.1 | 173.2 | -179.1 | -45.8 | 0 | 0 | 0 | 109.3 | S67 D71 V72 K73 | S67-D69 PolarHBondContact OG-N 2.98Å; S67-D69 VanDerWaalsContact OG-N 3.15Å; D69-D71 VanDerWaalsContact C-N 3.33Å; D69-D71 PolarHBondContact O-N 2.94Å; D69-D71 WeakPolarHBondContact OD1-CB 3.36Å; D69-D71 PolarHBondContact OD1-N 3.43Å; D69-V72 HydrophobicContact CB-CB 4.01Å; D69-V72 HydrophobicContact CB-CG2 3.95Å; D69-V72 PolarHBondContact O-N 2.86Å; D69-V72 PolarHBondContact OD1-N 3.42Å; D69-V72 VanDerWaalsContact OD1-N 3.07Å; D69-K73 WeakPolarHBondContact O-CB 3.25Å; D69-K73 PolarHBondContact O-N 3.16Å |
| 70 | P | 79.2 | Confident | 90.6 | Very high | 92 Ų | 92 | 63.8 Ų | 63.8 | 60% | 0.597 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.5 | -35.5 | -177.8 | -25.2 | 35.4 | 0 | 0 | 0 | 114.5 | K68 K73 T74 | K68-P70 WeakPolarHBondContact O-CD 3.31Å; P70-K73 WeakPolarHBondContact O-CB 3.45Å; P70-K73 PolarHBondContact O-N 3.18Å; P70-T74 PolarHBondContact O-N 3.39Å; P70-T74 PolarHBondContact O-OG1 3.06Å |
| 71 | D | 79 | Confident | 90.6 | Very high | 110 Ų | 110 | 63.3 Ų | 63.3 | 59% | 0.588 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -71.8 | -44.6 | -178.8 | -66.1 | -40 | 0 | 0 | 0 | 110.1 | D69 K73 T74 Q75 | D69-D71 VanDerWaalsContact C-N 3.33Å; D69-D71 PolarHBondContact O-N 2.94Å; D69-D71 WeakPolarHBondContact OD1-CB 3.36Å; D69-D71 PolarHBondContact OD1-N 3.43Å; D71-K73 VanDerWaalsContact C-N 3.33Å; D71-K73 PolarHBondContact O-N 2.89Å; D71-T74 PolarHBondContact O-N 3.32Å; D71-Q75 PolarHBondContact O-N 2.88Å |
| 72 | V | 86.6 | Confident | 90.5 | Very high | 38 Ų | 38 | 67.4 Ų | 67.4 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 174.3 | -179.6 | 0 | 0 | 0 | 0 | 110.9 | D69 T74 Q75 Y76 | D69-V72 HydrophobicContact CB-CB 4.01Å; D69-V72 HydrophobicContact CB-CG2 3.95Å; D69-V72 PolarHBondContact O-N 2.86Å; D69-V72 PolarHBondContact OD1-N 3.42Å; D69-V72 VanDerWaalsContact OD1-N 3.07Å; V72-T74 PolarHBondContact O-N 3.46Å; V72-Q75 PolarHBondContact O-N 3.03Å; V72-Y76 HydrophobicContact CG1-CD1 4.16Å; V72-Y76 HydrophobicContact CG1-CD2 4.15Å; V72-Y76 HydrophobicContact CG1-CE1 3.74Å; V72-Y76 HydrophobicContact CG1-CE2 3.71Å; V72-Y76 HydrophobicContact CG1-CG 4.36Å; V72-Y76 VanDerWaalsContact CG1-CZ 3.5Å; V72-Y76 WeakPolarHBondContact O-CB 3.26Å; V72-Y76 PolarHBondContact O-N 3.04Å |
| 73 | K | 88.1 | Confident | 90.5 | Very high | 48 Ų | 48 | 65.8 Ų | 65.8 | 21% | 0.209 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.4 | -50.1 | 174.4 | -179.9 | -178.6 | 177.1 | -176.2 | 0 | 110 | D69 P70 D71 Q75 Y76 Q77 D160 | D69-K73 WeakPolarHBondContact O-CB 3.25Å; D69-K73 PolarHBondContact O-N 3.16Å; P70-K73 WeakPolarHBondContact O-CB 3.45Å; P70-K73 PolarHBondContact O-N 3.18Å; D71-K73 VanDerWaalsContact C-N 3.33Å; D71-K73 PolarHBondContact O-N 2.89Å; K73-Q75 PolarHBondContact O-N 3.38Å; K73-Y76 PolarHBondContact O-N 3.46Å; K73-Q77 VanDerWaalsContact O-CG 3.29Å; K73-Q77 WeakPolarHBondContact O-CG 3.41Å; K73-Q77 PolarHBondContact O-N 2.82Å; K73-D160 PolarHBondContact NZ-O 3.03Å; K73-D160 VanDerWaalsContact NZ-O 3.09Å |
| 74 | T | 87.3 | Confident | 90.5 | Very high | 73 Ų | 73 | 66.6 Ų | 66.6 | 45% | 0.448 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 178.2 | -58.1 | 0 | 0 | 0 | 0 | 111.5 | P70 D71 V72 Y76 Q77 Q78 | P70-T74 PolarHBondContact O-N 3.39Å; P70-T74 PolarHBondContact O-OG1 3.06Å; D71-T74 PolarHBondContact O-N 3.32Å; V72-T74 PolarHBondContact O-N 3.46Å; T74-Y76 VanDerWaalsContact C-N 3.32Å; T74-Y76 PolarHBondContact O-N 3.13Å; T74-Q77 PolarHBondContact O-N 2.82Å; T74-Q78 WeakPolarHBondContact O-CG 3.48Å; T74-Q78 PolarHBondContact O-N 3.38Å |
| 75 | Q | 90.3 | Very high | 90.5 | Very high | 128 Ų | 128 | 68.3 Ų | 68.3 | 60% | 0.598 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.1 | -43.1 | 176.4 | -170.1 | -173.1 | 29.7 | 0 | 0 | 112 | D71 V72 K73 Q78 R79 | D71-Q75 PolarHBondContact O-N 2.88Å; V72-Q75 PolarHBondContact O-N 3.03Å; K73-Q75 PolarHBondContact O-N 3.38Å; Q75-Q78 PolarHBondContact O-N 2.99Å; Q75-R79 VanDerWaalsContact O-CB 3.3Å; Q75-R79 WeakPolarHBondContact O-CB 3.27Å; Q75-R79 PolarHBondContact O-N 2.89Å |
| 76 | Y | 94.3 | Very high | 90.6 | Very high | 58 Ų | 58 | 73 Ų | 73 | 23% | 0.227 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.9 | -39.9 | 179.5 | -73.9 | 2.1 | 0 | 0 | 0 | 112.3 | N63 V72 K73 T74 R79 W80 | N63-Y76 WeakPolarHBondContact O-CE2 3.44Å; V72-Y76 HydrophobicContact CG1-CD1 4.16Å; V72-Y76 HydrophobicContact CG1-CD2 4.15Å; V72-Y76 HydrophobicContact CG1-CE1 3.74Å; V72-Y76 HydrophobicContact CG1-CE2 3.71Å; V72-Y76 HydrophobicContact CG1-CG 4.36Å; V72-Y76 VanDerWaalsContact CG1-CZ 3.5Å; V72-Y76 WeakPolarHBondContact O-CB 3.26Å; V72-Y76 PolarHBondContact O-N 3.04Å; K73-Y76 PolarHBondContact O-N 3.46Å; T74-Y76 VanDerWaalsContact C-N 3.32Å; T74-Y76 PolarHBondContact O-N 3.13Å; Y76-R79 VanDerWaalsContact CE1-NH2 3.35Å; Y76-R79 PolarHBondContact O-N 3.36Å; Y76-W80 WeakPolarHBondContact O-CB 3.19Å; Y76-W80 PolarHBondContact O-N 3.35Å |
| 77 | Q | 92.7 | Very high | 90.6 | Very high | 33 Ų | 33 | 72.3 Ų | 72.3 | 15% | 0.154 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 174.6 | -69.2 | 174.6 | -14.6 | 0 | 0 | 111.5 | K73 T74 R79 W80 L81 A119 | K73-Q77 VanDerWaalsContact O-CG 3.29Å; K73-Q77 WeakPolarHBondContact O-CG 3.41Å; K73-Q77 PolarHBondContact O-N 2.82Å; T74-Q77 PolarHBondContact O-N 2.82Å; Q77-R79 PolarHBondContact O-N 3.16Å; Q77-W80 WeakPolarHBondContact O-CB 3.23Å; Q77-W80 PolarHBondContact O-N 3.4Å; Q77-L81 WeakPolarHBondContact O-CG 3.13Å; Q77-L81 PolarHBondContact O-N 3.35Å; Q77-A119 HydrophobicContact CB-CB 3.96Å; Q77-A119 HydrophobicContact CG-CB 3.95Å |
| 78 | Q | 93.1 | Very high | 90.9 | Very high | 118 Ų | 118 | 71.3 Ų | 71.3 | 55% | 0.551 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.7 | -41.6 | 176.1 | -67 | -60.2 | -25.9 | 0 | 0 | 111.8 | T74 Q75 W80 L81 A82 | T74-Q78 WeakPolarHBondContact O-CG 3.48Å; T74-Q78 PolarHBondContact O-N 3.38Å; Q75-Q78 PolarHBondContact O-N 2.99Å; Q78-W80 VanDerWaalsContact C-N 3.32Å; Q78-W80 PolarHBondContact O-N 3.12Å; Q78-L81 PolarHBondContact O-N 2.98Å; Q78-A82 WeakPolarHBondContact O-CB 3.38Å; Q78-A82 PolarHBondContact O-N 3.38Å |
| 79 | R | 95.7 | Very high | 91.5 | Very high | 100 Ų | 100 | 67.6 Ų | 67.6 | 38% | 0.377 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 175 | -175.1 | 177.4 | 66.6 | -171.2 | -2.3 | 111.7 | L33 S64 Q75 Y76 Q77 | L33-R79 HydrophobicContact CD2-CG 3.85Å; S64-R79 PolarHBondContact O-NH2 3.3Å; Q75-R79 VanDerWaalsContact O-CB 3.3Å; Q75-R79 WeakPolarHBondContact O-CB 3.27Å; Q75-R79 PolarHBondContact O-N 2.89Å; Y76-R79 VanDerWaalsContact CE1-NH2 3.35Å; Y76-R79 PolarHBondContact O-N 3.36Å; Q77-R79 PolarHBondContact O-N 3.16Å |
| 80 | W | 97 | Very high | 92.3 | Very high | 3 Ų | 3 | 67.6 Ų | 67.6 | 1% | 0.011 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.2 | -51.5 | 173.5 | 168.3 | -99.5 | 0 | 0 | 0 | 111.2 | L37 L65 Y76 Q77 Q78 A82 I83 R88 I91 K92 I116 A119 E120 | L37-W80 HydrophobicContact CD1-CE3 4.03Å; L37-W80 HydrophobicContact CD1-CZ3 3.9Å; L65-W80 HydrophobicContact CD2-CB 3.97Å; L65-W80 HydrophobicContact CD2-CD2 3.58Å; L65-W80 HydrophobicContact CD2-CE3 3.56Å; L65-W80 HydrophobicContact CD2-CG 3.76Å; L65-W80 HydrophobicContact CD2-CZ3 4.26Å; Y76-W80 WeakPolarHBondContact O-CB 3.19Å; Y76-W80 PolarHBondContact O-N 3.35Å; Q77-W80 WeakPolarHBondContact O-CB 3.23Å; Q77-W80 PolarHBondContact O-N 3.4Å; Q78-W80 VanDerWaalsContact C-N 3.32Å; Q78-W80 PolarHBondContact O-N 3.12Å; W80-A82 PolarHBondContact O-N 3.22Å; W80-A82 VanDerWaalsContact O-N 3.15Å; W80-I83 HydrophobicContact CE3-CD1 3.9Å; W80-I83 HydrophobicContact CZ3-CD1 4.4Å; W80-I83 VanDerWaalsContact O-CB 3.26Å; W80-I83 WeakPolarHBondContact O-CB 3.25Å; W80-I83 WeakPolarHBondContact O-CG1 3.31Å; W80-I83 PolarHBondContact O-N 3.08Å; W80-R88 HydrophobicContact CD2-CG 4.33Å; W80-R88 HydrophobicContact CE3-CG 4.48Å; W80-R88 HydrophobicContact CH2-CB 4.1Å; W80-R88 HydrophobicContact CH2-CG 3.87Å; W80-R88 HydrophobicContact CZ2-CB 3.81Å; W80-R88 HydrophobicContact CZ2-CG 3.64Å; W80-R88 HydrophobicContact CZ3-CG 4.27Å; W80-R88 VanDerWaalsContact O-CD 3.32Å; W80-R88 WeakPolarHBondContact O-CD 3.1Å; W80-I91 HydrophobicContact CH2-CB 3.99Å; W80-I91 HydrophobicContact CH2-CD1 3.85Å; W80-I91 HydrophobicContact CH2-CG2 3.82Å; W80-I91 HydrophobicContact CZ3-CD1 3.72Å; W80-I91 HydrophobicContact CZ3-CG2 4.27Å; W80-K92 HydrophobicContact CZ2-CG 4.5Å; W80-I116 HydrophobicContact CH2-CD1 4.02Å; W80-I116 HydrophobicContact CH2-CG1 4.23Å; W80-I116 HydrophobicContact CZ2-CB 4.46Å; W80-I116 HydrophobicContact CZ2-CD1 4.07Å; W80-I116 HydrophobicContact CZ2-CG1 3.99Å; W80-I116 HydrophobicContact CZ2-CG2 3.67Å; W80-A119 HydrophobicContact CG-CB 4.5Å; W80-E120 PolarHBondContact NE1-OE1 2.97Å |
| 81 | L | 95.6 | Very high | 93.1 | Very high | 30 Ų | 30 | 63.2 Ų | 63.2 | 16% | 0.157 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.6 | -28.9 | -178.7 | -69.9 | 174.5 | 0 | 0 | 0 | 113.1 | Q77 Q78 I83 R88 A119 E120 V123 | Q77-L81 WeakPolarHBondContact O-CG 3.13Å; Q77-L81 PolarHBondContact O-N 3.35Å; Q78-L81 PolarHBondContact O-N 2.98Å; L81-I83 VanDerWaalsContact C-N 3.29Å; L81-I83 PolarHBondContact O-N 3.45Å; L81-R88 PolarHBondContact O-NH2 2.99Å; L81-A119 HydrophobicContact CG-CB 4.5Å; L81-E120 HydrophobicContact CD2-CG 4.05Å; L81-V123 HydrophobicContact CD1-CG2 4.28Å; L81-V123 HydrophobicContact CD2-CG2 3.85Å |
| 82 | A | 95.7 | Very high | 94 | Very high | 88 Ų | 88 | 58.8 Ų | 58.8 | 73% | 0.727 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -13.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q78 W80 | Q78-A82 WeakPolarHBondContact O-CB 3.38Å; Q78-A82 PolarHBondContact O-N 3.38Å; W80-A82 PolarHBondContact O-N 3.22Å; W80-A82 VanDerWaalsContact O-N 3.15Å |
| 83 | I | 95.7 | Very high | 94.5 | Very high | 13 Ų | 13 | 60.8 Ų | 60.8 | 7% | 0.067 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -69.2 | 145.5 | 176.1 | -62 | 176.5 | 0 | 0 | 0 | 110.5 | L33 P34 L37 W80 L81 A85 A87 R88 | L33-I83 HydrophobicContact CD2-CD1 4.19Å; L33-I83 HydrophobicContact CG-CD1 4.31Å; P34-I83 HydrophobicContact CB-CG2 3.84Å; P34-I83 HydrophobicContact CG-CG1 4.27Å; P34-I83 HydrophobicContact CG-CG2 3.88Å; L37-I83 HydrophobicContact CD1-CD1 3.95Å; W80-I83 HydrophobicContact CE3-CD1 3.9Å; W80-I83 HydrophobicContact CZ3-CD1 4.4Å; W80-I83 VanDerWaalsContact O-CB 3.26Å; W80-I83 WeakPolarHBondContact O-CB 3.25Å; W80-I83 WeakPolarHBondContact O-CG1 3.31Å; W80-I83 PolarHBondContact O-N 3.08Å; L81-I83 VanDerWaalsContact C-N 3.29Å; L81-I83 PolarHBondContact O-N 3.45Å; I83-A85 PolarHBondContact O-N 2.75Å; I83-A87 HydrophobicContact CG2-CB 3.98Å; I83-R88 HydrophobicContact CB-CG 3.89Å; I83-R88 HydrophobicContact CG2-CG 3.85Å; I83-R88 PolarHBondContact O-NE 3.44Å |
| 84 | D | 95.1 | Very high | 94.9 | Very high | 93 Ų | 93 | 61.7 Ų | 61.7 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | trans | -48.7 | 131.4 | 174.4 | 179.7 | 72.9 | 0 | 0 | 0 | 112 | N86 A87 R88 | D84-N86 PolarHBondContact O-N 3.27Å; D84-N86 VanDerWaalsContact O-N 3.15Å; D84-N86 WeakPolarHBondContact OD2-CA 3.35Å; D84-N86 WeakPolarHBondContact OD2-CB 3.5Å; D84-N86 PolarHBondContact OD2-N 2.9Å; D84-N86 PolarHBondContact OD2-ND2 3.48Å; D84-A87 HydrophobicContact CB-CB 4.45Å; D84-A87 PolarHBondContact O-N 3.4Å; D84-A87 VanDerWaalsContact O-N 3.12Å; D84-A87 PolarHBondContact OD2-N 2.88Å; D84-R88 PolarHBondContact O-N 2.54Å | ||
| 85 | A | 93.8 | Very high | 95.4 | Very high | 49 Ų | 49 | 58.2 Ų | 58.2 | 41% | 0.405 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.9 | -26.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I83 R89 | I83-A85 PolarHBondContact O-N 2.75Å; A85-R89 VanDerWaalsContact O-CB 3.3Å; A85-R89 WeakPolarHBondContact O-CB 3.35Å; A85-R89 PolarHBondContact O-N 2.9Å |
| 86 | N | 94.6 | Very high | 95.7 | Very high | 99 Ų | 99 | 53.4 Ų | 53.4 | 53% | 0.529 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -74.3 | -42 | 176.7 | -52.6 | -66.6 | 0 | 0 | 0 | 111.2 | D84 R89 E90 | D84-N86 PolarHBondContact O-N 3.27Å; D84-N86 VanDerWaalsContact O-N 3.15Å; D84-N86 WeakPolarHBondContact OD2-CA 3.35Å; D84-N86 WeakPolarHBondContact OD2-CB 3.5Å; D84-N86 PolarHBondContact OD2-N 2.9Å; D84-N86 PolarHBondContact OD2-ND2 3.48Å; N86-R89 PolarHBondContact O-N 3.13Å; N86-E90 PolarHBondContact O-N 2.9Å |
| 87 | A | 94.4 | Very high | 95.7 | Very high | 17 Ų | 17 | 56.7 Ų | 56.7 | 14% | 0.14 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -45 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | P34 V38 I83 D84 R89 E90 I91 | P34-A87 HydrophobicContact CB-CB 4.29Å; V38-A87 HydrophobicContact CG2-CB 4.41Å; I83-A87 HydrophobicContact CG2-CB 3.98Å; D84-A87 HydrophobicContact CB-CB 4.45Å; D84-A87 PolarHBondContact O-N 3.4Å; D84-A87 VanDerWaalsContact O-N 3.12Å; D84-A87 PolarHBondContact OD2-N 2.88Å; A87-R89 VanDerWaalsContact C-N 3.35Å; A87-R89 PolarHBondContact O-N 3.38Å; A87-E90 PolarHBondContact O-N 2.9Å; A87-I91 WeakPolarHBondContact O-CD1 3.24Å; A87-I91 WeakPolarHBondContact O-CG1 3.48Å; A87-I91 PolarHBondContact O-N 3.22Å |
| 88 | R | 96.9 | Very high | 95.9 | Very high | 21 Ų | 21 | 55.1 Ų | 55.1 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 173.7 | -69.1 | -165.5 | -78.5 | 138.3 | -12.2 | 112.3 | W80 L81 I83 D84 E90 I91 K92 E120 Q125 | W80-R88 HydrophobicContact CD2-CG 4.33Å; W80-R88 HydrophobicContact CE3-CG 4.48Å; W80-R88 HydrophobicContact CH2-CB 4.1Å; W80-R88 HydrophobicContact CH2-CG 3.87Å; W80-R88 HydrophobicContact CZ2-CB 3.81Å; W80-R88 HydrophobicContact CZ2-CG 3.64Å; W80-R88 HydrophobicContact CZ3-CG 4.27Å; W80-R88 VanDerWaalsContact O-CD 3.32Å; W80-R88 WeakPolarHBondContact O-CD 3.1Å; L81-R88 PolarHBondContact O-NH2 2.99Å; I83-R88 HydrophobicContact CB-CG 3.89Å; I83-R88 HydrophobicContact CG2-CG 3.85Å; I83-R88 PolarHBondContact O-NE 3.44Å; D84-R88 PolarHBondContact O-N 2.54Å; R88-E90 VanDerWaalsContact C-N 3.33Å; R88-E90 PolarHBondContact O-N 3.01Å; R88-I91 PolarHBondContact O-N 3.35Å; R88-K92 WeakPolarHBondContact O-CB 3.15Å; R88-K92 VanDerWaalsContact O-CG 3.27Å; R88-K92 WeakPolarHBondContact O-CG 3.31Å; R88-K92 PolarHBondContact O-N 2.95Å; R88-E120 IonicContact CZ-OE1 3.27Å; R88-E120 IonicContact NH1-OE1 3.84Å; R88-E120 PolarHBondContact NH1-OE1 3.43Å; R88-E120 IonicContact NH1-OE2 3.69Å; R88-Q125 VanDerWaalsContact CZ-OE1 3.24Å |
| 89 | R | 96.4 | Very high | 96.1 | Very high | 137 Ų | 137 | 49.5 Ų | 49.5 | 52% | 0.517 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 177 | -172.8 | -177.7 | -65.5 | 135.9 | 1.3 | 112.2 | A85 N86 A87 K92 N93 | A85-R89 VanDerWaalsContact O-CB 3.3Å; A85-R89 WeakPolarHBondContact O-CB 3.35Å; A85-R89 PolarHBondContact O-N 2.9Å; N86-R89 PolarHBondContact O-N 3.13Å; A87-R89 VanDerWaalsContact C-N 3.35Å; A87-R89 PolarHBondContact O-N 3.38Å; R89-K92 PolarHBondContact O-N 2.9Å; R89-N93 WeakPolarHBondContact O-CB 3.39Å; R89-N93 PolarHBondContact O-N 3.36Å; R89-N93 PolarHBondContact O-ND2 3.48Å |
| 90 | E | 96.6 | Very high | 96 | Very high | 72 Ų | 72 | 45.6 Ų | 45.6 | 34% | 0.336 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.2 | -47.3 | 176.7 | -175 | 173.3 | 176.9 | 0 | 0 | 111.4 | V38 K42 N86 A87 R88 N93 Y94 | V38-E90 HydrophobicContact CG1-CG 4.25Å; V38-E90 WeakPolarHBondContact CG1-OE1 3.5Å; K42-E90 WeakPolarHBondContact CE-OE1 3.34Å; K42-E90 IonicContact NZ-OE1 2.82Å; N86-E90 PolarHBondContact O-N 2.9Å; A87-E90 PolarHBondContact O-N 2.9Å; R88-E90 VanDerWaalsContact C-N 3.33Å; R88-E90 PolarHBondContact O-N 3.01Å; E90-N93 PolarHBondContact O-N 3.17Å; E90-Y94 HydrophobicContact CG-CD2 3.86Å; E90-Y94 HydrophobicContact CG-CE2 3.43Å; E90-Y94 VanDerWaalsContact CG-CE2 3.43Å; E90-Y94 WeakPolarHBondContact O-CD2 3.48Å; E90-Y94 PolarHBondContact O-N 3.28Å |
| 91 | I | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.7 | -48.7 | 176.9 | -63.8 | 159.4 | 0 | 0 | 0 | 110.9 | L37 V38 W80 A87 R88 N93 Y94 V95 I116 | L37-I91 HydrophobicContact CB-CD1 3.54Å; L37-I91 HydrophobicContact CB-CG1 4.33Å; V38-I91 HydrophobicContact CB-CG1 4.4Å; V38-I91 HydrophobicContact CG2-CD1 3.98Å; V38-I91 HydrophobicContact CG2-CG1 3.7Å; W80-I91 HydrophobicContact CH2-CB 3.99Å; W80-I91 HydrophobicContact CH2-CD1 3.85Å; W80-I91 HydrophobicContact CH2-CG2 3.82Å; W80-I91 HydrophobicContact CZ3-CD1 3.72Å; W80-I91 HydrophobicContact CZ3-CG2 4.27Å; A87-I91 WeakPolarHBondContact O-CD1 3.24Å; A87-I91 WeakPolarHBondContact O-CG1 3.48Å; A87-I91 PolarHBondContact O-N 3.22Å; R88-I91 PolarHBondContact O-N 3.35Å; I91-N93 VanDerWaalsContact C-N 3.29Å; I91-N93 PolarHBondContact O-N 3.19Å; I91-Y94 PolarHBondContact O-N 3.37Å; I91-V95 HydrophobicContact CG2-CG2 4.17Å; I91-V95 WeakPolarHBondContact O-CB 3.39Å; I91-V95 WeakPolarHBondContact O-CG2 3.31Å; I91-V95 PolarHBondContact O-N 3.2Å; I91-I116 HydrophobicContact CG2-CD1 4.08Å |
| 92 | K | 97.5 | Very high | 95.7 | Very high | 17 Ų | 17 | 46.9 Ų | 46.9 | 7% | 0.074 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.5 | -43.9 | 177.5 | -74.7 | -171.6 | -64.6 | 178.6 | 0 | 111.7 | W80 R88 R89 L96 I116 E120 Q125 W126 | W80-K92 HydrophobicContact CZ2-CG 4.5Å; R88-K92 WeakPolarHBondContact O-CB 3.15Å; R88-K92 VanDerWaalsContact O-CG 3.27Å; R88-K92 WeakPolarHBondContact O-CG 3.31Å; R88-K92 PolarHBondContact O-N 2.95Å; R89-K92 PolarHBondContact O-N 2.9Å; K92-L96 WeakPolarHBondContact O-CB 3.47Å; K92-L96 PolarHBondContact O-N 3.29Å; K92-I116 HydrophobicContact CD-CG2 4.12Å; K92-I116 HydrophobicContact CG-CD1 4.37Å; K92-I116 HydrophobicContact CG-CG2 4.02Å; K92-E120 WeakPolarHBondContact CD-OE2 3.32Å; K92-E120 WeakPolarHBondContact CE-OE2 3.3Å; K92-E120 IonicContact NZ-OE1 3.25Å; K92-E120 IonicContact NZ-OE2 2.66Å; K92-E120 PolarHBondContact NZ-OE2 2.75Å; K92-Q125 PolarHBondContact NZ-O 3.48Å; K92-W126 HydrophobicContact CB-CH2 4.39Å; K92-W126 HydrophobicContact CB-CZ2 3.83Å; K92-W126 HydrophobicContact CD-CB 4.41Å; K92-W126 HydrophobicContact CD-CD2 3.49Å; K92-W126 VanDerWaalsContact CD-CD2 3.49Å; K92-W126 HydrophobicContact CD-CE3 3.91Å; K92-W126 HydrophobicContact CD-CG 3.73Å; K92-W126 HydrophobicContact CD-CH2 4.48Å; K92-W126 HydrophobicContact CD-CZ2 4.12Å; K92-W126 HydrophobicContact CD-CZ3 4.41Å; K92-W126 HydrophobicContact CG-CD2 4.19Å; K92-W126 HydrophobicContact CG-CE3 4.37Å; K92-W126 HydrophobicContact CG-CH2 4.14Å; K92-W126 HydrophobicContact CG-CZ2 3.93Å; K92-W126 HydrophobicContact CG-CZ3 4.38Å |
| 93 | N | 96.5 | Very high | 95.1 | Very high | 80 Ų | 80 | 48 Ų | 48 | 43% | 0.428 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 177.7 | -71.9 | -20.6 | 0 | 0 | 0 | 112 | R89 E90 I91 L96 Q97 | R89-N93 WeakPolarHBondContact O-CB 3.39Å; R89-N93 PolarHBondContact O-N 3.36Å; R89-N93 PolarHBondContact O-ND2 3.48Å; E90-N93 PolarHBondContact O-N 3.17Å; I91-N93 VanDerWaalsContact C-N 3.29Å; I91-N93 PolarHBondContact O-N 3.19Å; N93-L96 PolarHBondContact O-N 3.48Å; N93-Q97 VanDerWaalsContact O-CB 3.28Å; N93-Q97 WeakPolarHBondContact O-CB 3.32Å; N93-Q97 WeakPolarHBondContact O-CG 3.31Å; N93-Q97 PolarHBondContact O-N 3.18Å |
| 94 | Y | 97.4 | Very high | 94.4 | Very high | 67 Ų | 67 | 51.9 Ų | 51.9 | 26% | 0.263 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 179.4 | -76.8 | -53.8 | 0 | 0 | 0 | 112.3 | S41 K42 A45 E90 I91 L96 Q97 T98 | S41-Y94 WeakPolarHBondContact OG-CD2 3.49Å; K42-Y94 HydrophobicContact CD-CE2 4.2Å; K42-Y94 HydrophobicContact CG-CD2 3.94Å; K42-Y94 HydrophobicContact CG-CE1 4.17Å; K42-Y94 HydrophobicContact CG-CE2 3.42Å; K42-Y94 VanDerWaalsContact CG-CE2 3.42Å; K42-Y94 HydrophobicContact CG-CG 4.5Å; A45-Y94 HydrophobicContact CB-CD1 3.86Å; A45-Y94 HydrophobicContact CB-CG 4.32Å; E90-Y94 HydrophobicContact CG-CD2 3.86Å; E90-Y94 HydrophobicContact CG-CE2 3.43Å; E90-Y94 VanDerWaalsContact CG-CE2 3.43Å; E90-Y94 WeakPolarHBondContact O-CD2 3.48Å; E90-Y94 PolarHBondContact O-N 3.28Å; I91-Y94 PolarHBondContact O-N 3.37Å; Y94-L96 VanDerWaalsContact C-N 3.34Å; Y94-L96 PolarHBondContact O-N 3.33Å; Y94-Q97 PolarHBondContact O-N 3.04Å; Y94-T98 PolarHBondContact O-N 3.04Å; Y94-T98 PolarHBondContact O-OG1 3.23Å |
| 95 | V | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 178.5 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | I91 T98 C112 V113 I116 | I91-V95 HydrophobicContact CG2-CG2 4.17Å; I91-V95 WeakPolarHBondContact O-CB 3.39Å; I91-V95 WeakPolarHBondContact O-CG2 3.31Å; I91-V95 PolarHBondContact O-N 3.2Å; V95-T98 VanDerWaalsContact O-CB 3.3Å; V95-T98 WeakPolarHBondContact O-CB 3.48Å; V95-T98 PolarHBondContact O-N 3.17Å; V95-T98 VanDerWaalsContact O-N 3.17Å; V95-C112 HydrophobicContact CG1-CB 3.61Å; V95-C112 HydrophobicContact CG2-CB 4.13Å; V95-V113 HydrophobicContact CG1-CB 4.45Å; V95-V113 HydrophobicContact CG1-CG2 3.54Å; V95-I116 HydrophobicContact CG2-CD1 4.47Å |
| 96 | L | 96.1 | Very high | 93.3 | Very high | 26 Ų | 26 | 52.3 Ų | 52.3 | 14% | 0.136 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.1 | -36.7 | -179.8 | -161.1 | 64.3 | 0 | 0 | 0 | 112.8 | K92 N93 Y94 T98 L99 W126 L129 Q132 L133 | K92-L96 WeakPolarHBondContact O-CB 3.47Å; K92-L96 PolarHBondContact O-N 3.29Å; N93-L96 PolarHBondContact O-N 3.48Å; Y94-L96 VanDerWaalsContact C-N 3.34Å; Y94-L96 PolarHBondContact O-N 3.33Å; L96-T98 PolarHBondContact O-N 3.25Å; L96-L99 HydrophobicContact CD1-CD1 3.85Å; L96-L99 PolarHBondContact O-N 2.98Å; L96-W126 HydrophobicContact CD2-CZ2 4.45Å; L96-L129 HydrophobicContact CD1-CD1 4.07Å; L96-Q132 HydrophobicContact CD1-CG 4.49Å; L96-Q132 HydrophobicContact CD2-CB 4.06Å; L96-Q132 HydrophobicContact CD2-CG 3.69Å; L96-Q132 HydrophobicContact CG-CG 4.12Å; L96-L133 HydrophobicContact CD1-CD2 4.03Å |
| 97 | Q | 95.4 | Very high | 93.2 | Very high | 127 Ų | 127 | 47.8 Ų | 47.8 | 59% | 0.593 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -68.2 | -18.9 | 173.7 | -75.1 | 171.5 | 12.2 | 0 | 0 | 113.3 | N93 Y94 L99 T101 | N93-Q97 VanDerWaalsContact O-CB 3.28Å; N93-Q97 WeakPolarHBondContact O-CB 3.32Å; N93-Q97 WeakPolarHBondContact O-CG 3.31Å; N93-Q97 PolarHBondContact O-N 3.18Å; Y94-Q97 PolarHBondContact O-N 3.04Å; Q97-L99 VanDerWaalsContact C-N 3.32Å; Q97-T101 WeakPolarHBondContact O-CG2 3.4Å |
| 98 | T | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73.6 | -27.1 | 179.3 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | L44 A45 Y94 V95 L96 G100 T101 E102 A109 | L44-T98 HydrophobicContact CD1-CG2 4.03Å; L44-T98 HydrophobicContact CG-CG2 3.93Å; A45-T98 WeakPolarHBondContact CA-OG1 3.39Å; A45-T98 WeakPolarHBondContact CB-OG1 3.41Å; Y94-T98 PolarHBondContact O-N 3.04Å; Y94-T98 PolarHBondContact O-OG1 3.23Å; V95-T98 VanDerWaalsContact O-CB 3.3Å; V95-T98 WeakPolarHBondContact O-CB 3.48Å; V95-T98 PolarHBondContact O-N 3.17Å; V95-T98 VanDerWaalsContact O-N 3.17Å; L96-T98 PolarHBondContact O-N 3.25Å; T98-G100 PolarHBondContact O-N 3.15Å; T98-T101 WeakPolarHBondContact O-CB 3.47Å; T98-T101 PolarHBondContact O-N 3.48Å; T98-T101 PolarHBondContact O-OG1 3.18Å; T98-E102 HydrophobicContact CG2-CG 3.87Å; T98-A109 HydrophobicContact CG2-CB 3.7Å |
| 99 | L | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 129.9 | 177.5 | -62.8 | 177.3 | 0 | 0 | 0 | 110.5 | L96 Q97 T101 A109 L133 M146 | L96-L99 HydrophobicContact CD1-CD1 3.85Å; L96-L99 PolarHBondContact O-N 2.98Å; Q97-L99 VanDerWaalsContact C-N 3.32Å; L99-T101 VanDerWaalsContact C-N 3.28Å; L99-T101 PolarHBondContact O-N 2.9Å; L99-A109 HydrophobicContact CD2-CB 4.05Å; L99-L133 HydrophobicContact CD1-CD2 3.84Å; L99-M146 HydrophobicContact CB-SD 4.06Å; L99-M146 WeakPolarHBondContact O-CE 3.45Å |
| 100 | G | 94.7 | Very high | 93.3 | Very high | 19 Ų | 19 | 39.9 Ų | 39.9 | 20% | 0.196 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | -2.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | T98 S149 | T98-G100 PolarHBondContact O-N 3.15Å; G100-S149 PolarHBondContact N-OG 3.39Å |
| 101 | T | 95 | Very high | 93.2 | Very high | 49 Ų | 49 | 38.7 Ų | 38.7 | 30% | 0.301 | 20% | 0.196 | S | C | . | . | trans | -99.5 | -8 | 177.1 | 74.4 | 0 | 0 | 0 | 0 | 113.5 | R54 Q97 T98 L99 | R54-T101 PolarHBondContact NH1-O 3.44Å; R54-T101 PolarHBondContact NH2-OG1 3.15Å; Q97-T101 WeakPolarHBondContact O-CG2 3.4Å; T98-T101 WeakPolarHBondContact O-CB 3.47Å; T98-T101 PolarHBondContact O-N 3.48Å; T98-T101 PolarHBondContact O-OG1 3.18Å; L99-T101 VanDerWaalsContact C-N 3.28Å; L99-T101 PolarHBondContact O-N 2.9Å | ||
| 102 | E | 91.7 | Very high | 93.2 | Very high | 11 Ų | 11 | 38.7 Ų | 38.7 | 5% | 0.051 | 20% | 0.196 | C | C | . | . | trans | -88.1 | 140.4 | 179.6 | -68.3 | 177.9 | 87.9 | 0 | 0 | 110.8 | T98 S107 S108 A109 | T98-E102 HydrophobicContact CG2-CG 3.87Å; E102-S107 PolarHBondContact OE2-OG 3.09Å; E102-S107 VanDerWaalsContact OE2-OG 3.09Å; E102-S108 WeakPolarHBondContact OE1-CB 3.5Å; E102-S108 PolarHBondContact OE1-N 3.35Å; E102-S108 PolarHBondContact OE1-OG 3.27Å; E102-S108 PolarHBondContact OE2-N 3.2Å; E102-A109 WeakPolarHBondContact OE2-CB 3.46Å; E102-A109 PolarHBondContact OE2-N 2.98Å | ||
| 103 | T | 81.1 | Confident | 93.2 | Very high | 110 Ų | 110 | 37.9 Ų | 37.9 | 68% | 0.675 | 19% | 0.193 | S | C | * | . | trans | -102.2 | -8.5 | 170.5 | 57.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 104 | Y | 82.6 | Confident | 93.2 | Very high | 96 Ų | 96 | 34.1 Ų | 34.1 | 38% | 0.376 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -82.7 | 147 | 175.9 | -175.2 | -108.5 | 0 | 0 | 0 | 110.3 | Q51 V55 P106 | Q51-Y104 HydrophobicContact CG-CD2 4.39Å; V55-Y104 HydrophobicContact CG1-CE1 4.28Å; V55-Y104 HydrophobicContact CG2-CD1 3.59Å; V55-Y104 HydrophobicContact CG2-CD2 4.36Å; V55-Y104 HydrophobicContact CG2-CE1 4.01Å; V55-Y104 HydrophobicContact CG2-CG 3.78Å; Y104-P106 WeakPolarHBondContact CD1-O 3.4Å; Y104-P106 WeakPolarHBondContact CE1-O 3.33Å |
| 105 | R | 79.8 | Confident | 93.1 | Very high | 95 Ų | 95 | 31 Ų | 31 | 36% | 0.358 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -130.6 | 137.9 | 173.3 | -62.8 | -175.1 | -174.3 | -162.1 | -6.6 | 109.3 | E144 E148 N189 | R105-E144 IonicContact NH2-OE1 2.76Å; R105-E144 PolarHBondContact NH2-OE1 3.22Å; R105-E148 IonicContact CZ-OE1 2.65Å; R105-E148 IonicContact CZ-OE2 2.62Å; R105-E148 IonicContact NE-OE1 3.72Å; R105-E148 PolarHBondContact NE-OE1 3Å; R105-E148 IonicContact NE-OE2 2.84Å; R105-E148 PolarHBondContact NE-OE2 3.07Å; R105-E148 IonicContact NH1-OE1 2.73Å; R105-E148 PolarHBondContact NH1-OE1 2.89Å; R105-E148 IonicContact NH1-OE2 3.12Å; R105-E148 IonicContact NH2-OE1 3.37Å; R105-E148 PolarHBondContact NH2-OE1 3.06Å; R105-E148 IonicContact NH2-OE2 3.3Å; R105-E148 PolarHBondContact NH2-OE2 2.97Å; R105-N189 PolarHBondContact NH1-ND2 3.5Å; R105-N189 VanDerWaalsContact NH1-ND2 3.15Å; R105-N189 PolarHBondContact NH1-OD1 3.33Å |
| 106 | P | 84.9 | Confident | 93.2 | Very high | 55 Ų | 55 | 31 Ų | 31 | 36% | 0.357 | 16% | 0.161 | S | C | . | . | S | Bend | cis | -68.1 | 160.2 | -6.1 | 30 | -35.4 | 0 | 0 | 0 | 112.8 | Y104 | Y104-P106 WeakPolarHBondContact CD1-O 3.4Å; Y104-P106 WeakPolarHBondContact CE1-O 3.33Å |
| 107 | S | 93.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 3% | 0.028 | 16% | 0.155 | C | C | . | . | trans | -63.4 | 130 | -178.7 | 168.3 | 0 | 0 | 0 | 0 | 112.2 | E102 S110 E152 | E102-S107 PolarHBondContact OE2-OG 3.09Å; E102-S107 VanDerWaalsContact OE2-OG 3.09Å; S107-S110 WeakPolarHBondContact CB-OG 3.5Å; S107-S110 PolarHBondContact OG-N 3.02Å; S107-S110 PolarHBondContact OG-OG 3.39Å; S107-E152 WeakPolarHBondContact CB-OE2 3.36Å; S107-E152 PolarHBondContact N-OE2 3.48Å | ||
| 108 | S | 94.7 | Very high | 93.1 | Very high | 10 Ų | 10 | 24.1 Ų | 24.1 | 7% | 0.07 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -76.5 | -34 | 177.4 | -52.7 | 0 | 0 | 0 | 0 | 111 | E102 S110 C112 | E102-S108 WeakPolarHBondContact OE1-CB 3.5Å; E102-S108 PolarHBondContact OE1-N 3.35Å; E102-S108 PolarHBondContact OE1-OG 3.27Å; E102-S108 PolarHBondContact OE2-N 3.2Å; S108-S110 VanDerWaalsContact C-N 3.3Å; S108-S110 PolarHBondContact O-N 2.85Å; S108-C112 PolarHBondContact O-N 3.05Å; S108-C112 PolarHBondContact O-SG 2.93Å |
| 109 | A | 96.7 | Very high | 93 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.1 | -36.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T98 L99 E102 Q111 C112 V113 | T98-A109 HydrophobicContact CG2-CB 3.7Å; L99-A109 HydrophobicContact CD2-CB 4.05Å; E102-A109 WeakPolarHBondContact OE2-CB 3.46Å; E102-A109 PolarHBondContact OE2-N 2.98Å; A109-Q111 VanDerWaalsContact C-N 3.34Å; A109-Q111 PolarHBondContact O-N 3.37Å; A109-C112 CarbonylContact O-C 3.5Å; A109-C112 WeakPolarHBondContact O-CA 3.3Å; A109-C112 WeakPolarHBondContact O-CB 3.27Å; A109-C112 PolarHBondContact O-N 3.01Å; A109-V113 WeakPolarHBondContact O-CG2 3.44Å; A109-V113 PolarHBondContact O-N 3.48Å |
| 110 | S | 97 | Very high | 93 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.7 | -40.5 | -177.2 | -58.6 | 0 | 0 | 0 | 0 | 112.5 | S107 S108 V113 A114 S149 | S107-S110 WeakPolarHBondContact CB-OG 3.5Å; S107-S110 PolarHBondContact OG-N 3.02Å; S107-S110 PolarHBondContact OG-OG 3.39Å; S108-S110 VanDerWaalsContact C-N 3.3Å; S108-S110 PolarHBondContact O-N 2.85Å; S110-V113 PolarHBondContact O-N 3.38Å; S110-A114 PolarHBondContact O-N 2.97Å; S110-S149 PolarHBondContact OG-O 2.92Å |
| 111 | Q | 95.4 | Very high | 93 | Very high | 47 Ų | 47 | 24.8 Ų | 24.8 | 22% | 0.22 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69.1 | -34.6 | 174.1 | -64.7 | 174.7 | 42.5 | 0 | 0 | 112.3 | K62 A109 G115 Y156 | K62-Q111 HydrophobicContact CD-CB 3.77Å; K62-Q111 HydrophobicContact CD-CG 4.38Å; K62-Q111 HydrophobicContact CG-CB 4.37Å; A109-Q111 VanDerWaalsContact C-N 3.34Å; A109-Q111 PolarHBondContact O-N 3.37Å; Q111-G115 PolarHBondContact O-N 3.01Å; Q111-Y156 HydrophobicContact CG-CD2 4.05Å; Q111-Y156 HydrophobicContact CG-CE2 3.61Å |
| 112 | C | 97.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.7 | -41.5 | 175.1 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | G58 V61 V95 S108 A109 G115 I116 | G58-C112 PolarHBondContact O-SG 3.33Å; V61-C112 HydrophobicContact CG1-CB 4.08Å; V95-C112 HydrophobicContact CG1-CB 3.61Å; V95-C112 HydrophobicContact CG2-CB 4.13Å; S108-C112 PolarHBondContact O-N 3.05Å; S108-C112 PolarHBondContact O-SG 2.93Å; A109-C112 CarbonylContact O-C 3.5Å; A109-C112 WeakPolarHBondContact O-CA 3.3Å; A109-C112 WeakPolarHBondContact O-CB 3.27Å; A109-C112 PolarHBondContact O-N 3.01Å; C112-G115 PolarHBondContact O-N 3.45Å; C112-I116 WeakPolarHBondContact O-CG1 3.37Å; C112-I116 PolarHBondContact O-N 3.22Å; C112-I116 VanDerWaalsContact O-N 3.08Å |
| 113 | V | 97.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.3 | -51.5 | 174.2 | 172.7 | 0 | 0 | 0 | 0 | 109.5 | V95 A109 S110 I116 A117 W126 L129 A153 I157 | V95-V113 HydrophobicContact CG1-CB 4.45Å; V95-V113 HydrophobicContact CG1-CG2 3.54Å; A109-V113 WeakPolarHBondContact O-CG2 3.44Å; A109-V113 PolarHBondContact O-N 3.48Å; S110-V113 PolarHBondContact O-N 3.38Å; V113-I116 PolarHBondContact O-N 2.93Å; V113-A117 VanDerWaalsContact O-CB 3.23Å; V113-A117 WeakPolarHBondContact O-CB 3.22Å; V113-A117 PolarHBondContact O-N 3.17Å; V113-W126 HydrophobicContact CG1-CH2 4.17Å; V113-W126 HydrophobicContact CG1-CZ3 4.35Å; V113-L129 HydrophobicContact CG1-CD1 3.66Å; V113-L129 HydrophobicContact CG1-CD2 4.43Å; V113-A153 HydrophobicContact CB-CB 4.26Å; V113-A153 HydrophobicContact CG1-CB 4.23Å; V113-I157 HydrophobicContact CG1-CD1 4.11Å |
| 114 | A | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.9 | -48.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S110 I116 A117 C118 Y156 I157 | S110-A114 PolarHBondContact O-N 2.97Å; A114-I116 VanDerWaalsContact C-N 3.3Å; A114-I116 PolarHBondContact O-N 3.47Å; A114-A117 WeakPolarHBondContact O-CB 3.43Å; A114-A117 PolarHBondContact O-N 2.98Å; A114-C118 PolarHBondContact O-N 3.44Å; A114-C118 PolarHBondContact O-SG 3.04Å; A114-Y156 VanDerWaalsContact CB-CB 3.43Å; A114-I157 HydrophobicContact CB-CG1 4.2Å |
| 115 | G | 95.7 | Very high | 94 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.8 | -38.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q111 C112 | Q111-G115 PolarHBondContact O-N 3.01Å; C112-G115 PolarHBondContact O-N 3.45Å |
| 116 | I | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -72.6 | -41.7 | 174.1 | -62.3 | 171 | 0 | 0 | 0 | 110.6 | L65 W80 I91 K92 V95 C112 V113 A114 C118 A119 E120 W126 | L65-I116 HydrophobicContact CD1-CD1 4.37Å; L65-I116 HydrophobicContact CD1-CG1 3.5Å; L65-I116 VanDerWaalsContact CD1-CG1 3.5Å; L65-I116 HydrophobicContact CD2-CG1 4.08Å; L65-I116 HydrophobicContact CG-CG1 4.45Å; W80-I116 HydrophobicContact CH2-CD1 4.02Å; W80-I116 HydrophobicContact CH2-CG1 4.23Å; W80-I116 HydrophobicContact CZ2-CB 4.46Å; W80-I116 HydrophobicContact CZ2-CD1 4.07Å; W80-I116 HydrophobicContact CZ2-CG1 3.99Å; W80-I116 HydrophobicContact CZ2-CG2 3.67Å; I91-I116 HydrophobicContact CG2-CD1 4.08Å; K92-I116 HydrophobicContact CD-CG2 4.12Å; K92-I116 HydrophobicContact CG-CD1 4.37Å; K92-I116 HydrophobicContact CG-CG2 4.02Å; V95-I116 HydrophobicContact CG2-CD1 4.47Å; C112-I116 WeakPolarHBondContact O-CG1 3.37Å; C112-I116 PolarHBondContact O-N 3.22Å; C112-I116 VanDerWaalsContact O-N 3.08Å; V113-I116 PolarHBondContact O-N 2.93Å; A114-I116 VanDerWaalsContact C-N 3.3Å; A114-I116 PolarHBondContact O-N 3.47Å; I116-C118 VanDerWaalsContact C-N 3.33Å; I116-C118 PolarHBondContact O-N 3.32Å; I116-A119 PolarHBondContact O-N 3.39Å; I116-A119 VanDerWaalsContact O-N 3.1Å; I116-E120 HydrophobicContact CG2-CG 4.21Å; I116-E120 PolarHBondContact O-N 3.36Å; I116-W126 HydrophobicContact CB-CE3 4.27Å; I116-W126 HydrophobicContact CB-CZ3 3.69Å; I116-W126 HydrophobicContact CG2-CE3 3.62Å; I116-W126 HydrophobicContact CG2-CH2 4.37Å; I116-W126 HydrophobicContact CG2-CZ3 3.49Å; I116-W126 VanDerWaalsContact CG2-CZ3 3.49Å |
| 117 | A | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.6 | -41.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V113 A114 A119 E120 I121 L129 I157 I161 | V113-A117 VanDerWaalsContact O-CB 3.23Å; V113-A117 WeakPolarHBondContact O-CB 3.22Å; V113-A117 PolarHBondContact O-N 3.17Å; A114-A117 WeakPolarHBondContact O-CB 3.43Å; A114-A117 PolarHBondContact O-N 2.98Å; A117-A119 PolarHBondContact O-N 2.96Å; A117-E120 PolarHBondContact O-N 2.95Å; A117-I121 HydrophobicContact CB-CD1 3.92Å; A117-I121 HydrophobicContact CB-CG1 4.26Å; A117-I121 WeakPolarHBondContact O-CB 3.4Å; A117-I121 WeakPolarHBondContact O-CG1 3.18Å; A117-I121 PolarHBondContact O-N 3.33Å; A117-L129 HydrophobicContact CB-CD2 3.61Å; A117-I157 HydrophobicContact CB-CD1 4.16Å; A117-I157 HydrophobicContact CB-CG1 3.9Å; A117-I161 HydrophobicContact CB-CD1 4.11Å |
| 118 | C | 93.8 | Very high | 95.2 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 5% | 0.054 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.1 | -32.6 | 174.6 | -62.9 | 0 | 0 | 0 | 0 | 113.1 | A114 I116 P122 D160 I161 | A114-C118 PolarHBondContact O-N 3.44Å; A114-C118 PolarHBondContact O-SG 3.04Å; I116-C118 VanDerWaalsContact C-N 3.33Å; I116-C118 PolarHBondContact O-N 3.32Å; C118-P122 WeakPolarHBondContact O-CD 3.41Å; C118-D160 WeakPolarHBondContact SG-CB 3.33Å; C118-I161 HydrophobicContact CB-CG1 4.16Å; C118-I161 WeakPolarHBondContact SG-CG1 3.38Å |
| 119 | A | 94.8 | Very high | 95.3 | Very high | 5 Ų | 5 | 30 Ų | 30 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -83.2 | -37.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q77 W80 L81 I116 A117 V123 | Q77-A119 HydrophobicContact CB-CB 3.96Å; Q77-A119 HydrophobicContact CG-CB 3.95Å; W80-A119 HydrophobicContact CG-CB 4.5Å; L81-A119 HydrophobicContact CG-CB 4.5Å; I116-A119 PolarHBondContact O-N 3.39Å; I116-A119 VanDerWaalsContact O-N 3.1Å; A117-A119 PolarHBondContact O-N 2.96Å; A119-V123 WeakPolarHBondContact O-CG2 3.46Å |
| 120 | E | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -99.7 | -25.9 | -167.6 | -68.6 | -160 | -172.3 | 0 | 0 | 115.7 | W80 L81 R88 K92 I116 A117 V123 T124 Q125 W126 | W80-E120 PolarHBondContact NE1-OE1 2.97Å; L81-E120 HydrophobicContact CD2-CG 4.05Å; R88-E120 IonicContact CZ-OE1 3.27Å; R88-E120 IonicContact NH1-OE1 3.84Å; R88-E120 PolarHBondContact NH1-OE1 3.43Å; R88-E120 IonicContact NH1-OE2 3.69Å; K92-E120 WeakPolarHBondContact CD-OE2 3.32Å; K92-E120 WeakPolarHBondContact CE-OE2 3.3Å; K92-E120 IonicContact NZ-OE1 3.25Å; K92-E120 IonicContact NZ-OE2 2.66Å; K92-E120 PolarHBondContact NZ-OE2 2.75Å; I116-E120 HydrophobicContact CG2-CG 4.21Å; I116-E120 PolarHBondContact O-N 3.36Å; A117-E120 PolarHBondContact O-N 2.95Å; E120-V123 CarbonylContact O-C 3.53Å; E120-V123 PolarHBondContact O-N 3.16Å; E120-T124 PolarHBondContact O-N 3.45Å; E120-Q125 HydrophobicContact CB-CB 4.04Å; E120-Q125 HydrophobicContact CG-CB 4.13Å; E120-Q125 PolarHBondContact O-N 3.03Å; E120-Q125 VanDerWaalsContact OE2-O 3.11Å; E120-W126 HydrophobicContact CB-CB 4.05Å |
| 121 | I | 94 | Very high | 95.2 | Very high | 29 Ų | 29 | 34 Ų | 34 | 15% | 0.149 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -49.4 | 177.2 | -72.7 | -178.6 | 0 | 0 | 0 | 111.2 | A117 V123 T124 L129 I157 I161 Q165 L166 | A117-I121 HydrophobicContact CB-CD1 3.92Å; A117-I121 HydrophobicContact CB-CG1 4.26Å; A117-I121 WeakPolarHBondContact O-CB 3.4Å; A117-I121 WeakPolarHBondContact O-CG1 3.18Å; A117-I121 PolarHBondContact O-N 3.33Å; I121-V123 PolarHBondContact O-N 3.09Å; I121-T124 PolarHBondContact O-N 3.18Å; I121-L129 HydrophobicContact CD1-CD2 4.14Å; I121-I157 HydrophobicContact CD1-CG2 4.27Å; I121-I161 HydrophobicContact CB-CD1 4.18Å; I121-I161 HydrophobicContact CD1-CD1 3.7Å; I121-I161 HydrophobicContact CG1-CD1 4.34Å; I121-Q165 HydrophobicContact CG2-CB 4.48Å; I121-L166 HydrophobicContact CD1-CD2 4.08Å; I121-L166 HydrophobicContact CG2-CD2 4.24Å |
| 122 | P | 91.1 | Very high | 95.3 | Very high | 58 Ų | 58 | 35.8 Ų | 35.8 | 38% | 0.377 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -22.1 | -178.3 | -24.8 | 35.4 | 0 | 0 | 0 | 114.2 | C118 Q165 | C118-P122 WeakPolarHBondContact O-CD 3.41Å; P122-Q165 HydrophobicContact CB-CG 4.43Å; P122-Q165 HydrophobicContact CG-CG 4.34Å |
| 123 | V | 93.4 | Very high | 95.3 | Very high | 60 Ų | 60 | 35.9 Ų | 35.9 | 36% | 0.364 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | 10.7 | 178.3 | -63.1 | 0 | 0 | 0 | 0 | 113.3 | L81 A119 E120 I121 Q125 | L81-V123 HydrophobicContact CD1-CG2 4.28Å; L81-V123 HydrophobicContact CD2-CG2 3.85Å; A119-V123 WeakPolarHBondContact O-CG2 3.46Å; E120-V123 CarbonylContact O-C 3.53Å; E120-V123 PolarHBondContact O-N 3.16Å; I121-V123 PolarHBondContact O-N 3.09Å; V123-Q125 VanDerWaalsContact C-N 3.32Å; V123-Q125 HydrophobicContact CB-CG 4.45Å; V123-Q125 HydrophobicContact CG2-CB 4.18Å; V123-Q125 HydrophobicContact CG2-CG 3.79Å; V123-Q125 PolarHBondContact O-N 3.12Å |
| 124 | T | 92.9 | Very high | 95.2 | Very high | 124 Ų | 124 | 37 Ų | 37 | 76% | 0.761 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 31.9 | 176.9 | 66.3 | 0 | 0 | 0 | 0 | 115.5 | E120 I121 | E120-T124 PolarHBondContact O-N 3.45Å; I121-T124 PolarHBondContact O-N 3.18Å |
| 125 | Q | 94.1 | Very high | 95.2 | Very high | 76 Ų | 76 | 39 Ų | 39 | 36% | 0.355 | 23% | 0.225 | S | C | . | . | trans | -93.6 | -3.1 | -175 | -70.7 | -174.9 | 30.8 | 0 | 0 | 115.2 | R88 K92 E120 V123 | R88-Q125 VanDerWaalsContact CZ-OE1 3.24Å; K92-Q125 PolarHBondContact NZ-O 3.48Å; E120-Q125 HydrophobicContact CB-CB 4.04Å; E120-Q125 HydrophobicContact CG-CB 4.13Å; E120-Q125 PolarHBondContact O-N 3.03Å; E120-Q125 VanDerWaalsContact OE2-O 3.11Å; V123-Q125 VanDerWaalsContact C-N 3.32Å; V123-Q125 HydrophobicContact CB-CG 4.45Å; V123-Q125 HydrophobicContact CG2-CB 4.18Å; V123-Q125 HydrophobicContact CG2-CG 3.79Å; V123-Q125 PolarHBondContact O-N 3.12Å | ||
| 126 | W | 95.7 | Very high | 95.3 | Very high | 15 Ų | 15 | 39.7 Ų | 39.7 | 6% | 0.057 | 23% | 0.228 | C | C | . | . | trans | -131.5 | 62 | 175.6 | -158.7 | -1.4 | 0 | 0 | 0 | 113.8 | K92 L96 V113 I116 E120 E128 L129 | K92-W126 HydrophobicContact CB-CH2 4.39Å; K92-W126 HydrophobicContact CB-CZ2 3.83Å; K92-W126 HydrophobicContact CD-CB 4.41Å; K92-W126 HydrophobicContact CD-CD2 3.49Å; K92-W126 VanDerWaalsContact CD-CD2 3.49Å; K92-W126 HydrophobicContact CD-CE3 3.91Å; K92-W126 HydrophobicContact CD-CG 3.73Å; K92-W126 HydrophobicContact CD-CH2 4.48Å; K92-W126 HydrophobicContact CD-CZ2 4.12Å; K92-W126 HydrophobicContact CD-CZ3 4.41Å; K92-W126 HydrophobicContact CG-CD2 4.19Å; K92-W126 HydrophobicContact CG-CE3 4.37Å; K92-W126 HydrophobicContact CG-CH2 4.14Å; K92-W126 HydrophobicContact CG-CZ2 3.93Å; K92-W126 HydrophobicContact CG-CZ3 4.38Å; L96-W126 HydrophobicContact CD2-CZ2 4.45Å; V113-W126 HydrophobicContact CG1-CH2 4.17Å; V113-W126 HydrophobicContact CG1-CZ3 4.35Å; I116-W126 HydrophobicContact CB-CE3 4.27Å; I116-W126 HydrophobicContact CB-CZ3 3.69Å; I116-W126 HydrophobicContact CG2-CE3 3.62Å; I116-W126 HydrophobicContact CG2-CH2 4.37Å; I116-W126 HydrophobicContact CG2-CZ3 3.49Å; I116-W126 VanDerWaalsContact CG2-CZ3 3.49Å; E120-W126 HydrophobicContact CB-CB 4.05Å; W126-E128 PolarHBondContact O-N 3.31Å; W126-L129 HydrophobicContact CB-CB 4.46Å; W126-L129 HydrophobicContact CD2-CB 3.79Å; W126-L129 HydrophobicContact CD2-CD1 4.29Å; W126-L129 HydrophobicContact CD2-CD2 4.07Å; W126-L129 HydrophobicContact CD2-CG 4.27Å; W126-L129 HydrophobicContact CE3-CB 4.33Å; W126-L129 HydrophobicContact CE3-CD1 4.35Å; W126-L129 HydrophobicContact CE3-CD2 3.73Å; W126-L129 HydrophobicContact CE3-CG 4.36Å; W126-L129 HydrophobicContact CG-CB 3.82Å; W126-L129 HydrophobicContact CH2-CD1 3.9Å; W126-L129 HydrophobicContact CZ2-CD1 3.83Å; W126-L129 HydrophobicContact CZ3-CD1 4.13Å; W126-L129 HydrophobicContact CZ3-CD2 3.98Å; W126-L129 WeakPolarHBondContact O-CB 3.23Å; W126-L129 PolarHBondContact O-N 2.97Å | ||
| 127 | P | 93.6 | Very high | 95.3 | Very high | 89 Ų | 89 | 39.8 Ų | 39.8 | 58% | 0.578 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -21.2 | -176 | 28 | -35.9 | 0 | 0 | 0 | 114 | L129 P131 | P127-L129 VanDerWaalsContact C-N 3.31Å; P127-P131 WeakPolarHBondContact O-CD 3.09Å |
| 128 | E | 93.9 | Very high | 95.3 | Very high | 116 Ų | 116 | 42.5 Ų | 42.5 | 54% | 0.542 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -13.7 | -179.3 | -52.3 | 85.2 | 174.6 | 0 | 0 | 113.6 | W126 Q132 | W126-E128 PolarHBondContact O-N 3.31Å; E128-Q132 WeakPolarHBondContact O-CB 3.39Å; E128-Q132 PolarHBondContact O-N 3.33Å |
| 129 | L | 96.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.3 | -65.2 | -171.2 | 177.7 | 59.9 | 0 | 0 | 0 | 112.3 | L96 V113 A117 I121 W126 P127 Q132 L133 I157 | L96-L129 HydrophobicContact CD1-CD1 4.07Å; V113-L129 HydrophobicContact CG1-CD1 3.66Å; V113-L129 HydrophobicContact CG1-CD2 4.43Å; A117-L129 HydrophobicContact CB-CD2 3.61Å; I121-L129 HydrophobicContact CD1-CD2 4.14Å; W126-L129 HydrophobicContact CB-CB 4.46Å; W126-L129 HydrophobicContact CD2-CB 3.79Å; W126-L129 HydrophobicContact CD2-CD1 4.29Å; W126-L129 HydrophobicContact CD2-CD2 4.07Å; W126-L129 HydrophobicContact CD2-CG 4.27Å; W126-L129 HydrophobicContact CE3-CB 4.33Å; W126-L129 HydrophobicContact CE3-CD1 4.35Å; W126-L129 HydrophobicContact CE3-CD2 3.73Å; W126-L129 HydrophobicContact CE3-CG 4.36Å; W126-L129 HydrophobicContact CG-CB 3.82Å; W126-L129 HydrophobicContact CH2-CD1 3.9Å; W126-L129 HydrophobicContact CZ2-CD1 3.83Å; W126-L129 HydrophobicContact CZ3-CD1 4.13Å; W126-L129 HydrophobicContact CZ3-CD2 3.98Å; W126-L129 WeakPolarHBondContact O-CB 3.23Å; W126-L129 PolarHBondContact O-N 2.97Å; P127-L129 VanDerWaalsContact C-N 3.31Å; L129-Q132 PolarHBondContact O-N 3.14Å; L129-Q132 VanDerWaalsContact O-N 3.08Å; L129-L133 HydrophobicContact CD1-CD1 3.82Å; L129-L133 HydrophobicContact CD1-CD2 4.16Å; L129-L133 HydrophobicContact CD1-CG 3.91Å; L129-L133 HydrophobicContact CG-CD1 4.01Å; L129-L133 HydrophobicContact CG-CG 4.4Å; L129-L133 WeakPolarHBondContact O-CG 3.36Å; L129-L133 PolarHBondContact O-N 3.39Å; L129-I157 HydrophobicContact CD2-CD1 4.02Å |
| 130 | I | 96 | Very high | 95.2 | Very high | 17 Ų | 17 | 51.3 Ų | 51.3 | 9% | 0.087 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.5 | -46.7 | -174.4 | -54.4 | -59.2 | 0 | 0 | 0 | 111.5 | Q132 L133 V134 T169 Q172 I173 | I130-Q132 VanDerWaalsContact C-N 3.28Å; I130-Q132 PolarHBondContact O-N 3.31Å; I130-L133 PolarHBondContact O-N 2.93Å; I130-V134 HydrophobicContact CG2-CG2 4.24Å; I130-V134 VanDerWaalsContact O-CG2 3.28Å; I130-V134 WeakPolarHBondContact O-CG2 3.25Å; I130-V134 PolarHBondContact O-N 3.03Å; I130-T169 HydrophobicContact CG1-CG2 4.41Å; I130-Q172 HydrophobicContact CG2-CB 3.79Å; I130-I173 HydrophobicContact CD1-CD1 4.35Å; I130-I173 HydrophobicContact CD1-CG1 4.37Å; I130-I173 HydrophobicContact CG2-CG1 4.15Å |
| 131 | P | 96.4 | Very high | 95.1 | Very high | 68 Ų | 68 | 55.8 Ų | 55.8 | 44% | 0.442 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.1 | -39 | 175.8 | -26.4 | 35.9 | 0 | 0 | 0 | 113.6 | P127 A135 | P127-P131 WeakPolarHBondContact O-CD 3.09Å; P131-A135 WeakPolarHBondContact O-CB 3.4Å; P131-A135 PolarHBondContact O-N 3.07Å |
| 132 | Q | 96.7 | Very high | 95.2 | Very high | 84 Ų | 84 | 55.5 Ų | 55.5 | 39% | 0.393 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.4 | -41.5 | 178.4 | -173.1 | 62.3 | 58.2 | 0 | 0 | 112.1 | L96 E128 L129 I130 V134 A135 N136 | L96-Q132 HydrophobicContact CD1-CG 4.49Å; L96-Q132 HydrophobicContact CD2-CB 4.06Å; L96-Q132 HydrophobicContact CD2-CG 3.69Å; L96-Q132 HydrophobicContact CG-CG 4.12Å; E128-Q132 WeakPolarHBondContact O-CB 3.39Å; E128-Q132 PolarHBondContact O-N 3.33Å; L129-Q132 PolarHBondContact O-N 3.14Å; L129-Q132 VanDerWaalsContact O-N 3.08Å; I130-Q132 VanDerWaalsContact C-N 3.28Å; I130-Q132 PolarHBondContact O-N 3.31Å; Q132-V134 VanDerWaalsContact C-N 3.32Å; Q132-V134 PolarHBondContact O-N 3.5Å; Q132-A135 PolarHBondContact O-N 3Å; Q132-N136 PolarHBondContact NE2-OD1 3.48Å; Q132-N136 VanDerWaalsContact O-CG 3.23Å; Q132-N136 PolarHBondContact O-N 3.37Å; Q132-N136 PolarHBondContact O-OD1 2.94Å |
| 133 | L | 97.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 176.1 | -60 | 179.1 | 0 | 0 | 0 | 110.7 | L96 L99 L129 I130 A135 N136 V137 T150 I154 I157 | L96-L133 HydrophobicContact CD1-CD2 4.03Å; L99-L133 HydrophobicContact CD1-CD2 3.84Å; L129-L133 HydrophobicContact CD1-CD1 3.82Å; L129-L133 HydrophobicContact CD1-CD2 4.16Å; L129-L133 HydrophobicContact CD1-CG 3.91Å; L129-L133 HydrophobicContact CG-CD1 4.01Å; L129-L133 HydrophobicContact CG-CG 4.4Å; L129-L133 WeakPolarHBondContact O-CG 3.36Å; L129-L133 PolarHBondContact O-N 3.39Å; I130-L133 PolarHBondContact O-N 2.93Å; L133-A135 PolarHBondContact O-N 3.26Å; L133-N136 PolarHBondContact O-N 3.27Å; L133-V137 PolarHBondContact O-N 2.7Å; L133-T150 HydrophobicContact CB-CG2 3.77Å; L133-T150 HydrophobicContact CD2-CG2 3.76Å; L133-T150 HydrophobicContact CG-CG2 4.33Å; L133-T150 VanDerWaalsContact O-CG2 3.31Å; L133-T150 WeakPolarHBondContact O-CG2 3.5Å; L133-I154 HydrophobicContact CB-CD1 4.23Å; L133-I154 HydrophobicContact CB-CG1 4.22Å; L133-I154 HydrophobicContact CD1-CG1 3.93Å; L133-I157 HydrophobicContact CD1-CD1 3.75Å |
| 134 | V | 96.7 | Very high | 95.6 | Very high | 24 Ų | 24 | 57.3 Ų | 57.3 | 15% | 0.145 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 175 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | I130 Q132 N136 V137 T138 Q172 A176 | I130-V134 HydrophobicContact CG2-CG2 4.24Å; I130-V134 VanDerWaalsContact O-CG2 3.28Å; I130-V134 WeakPolarHBondContact O-CG2 3.25Å; I130-V134 PolarHBondContact O-N 3.03Å; Q132-V134 VanDerWaalsContact C-N 3.32Å; Q132-V134 PolarHBondContact O-N 3.5Å; V134-N136 VanDerWaalsContact C-N 3.34Å; V134-N136 PolarHBondContact O-N 3.06Å; V134-V137 PolarHBondContact O-N 2.82Å; V134-T138 HydrophobicContact CG1-CG2 4Å; V134-T138 WeakPolarHBondContact O-CB 3.33Å; V134-T138 VanDerWaalsContact O-CG2 3.32Å; V134-T138 WeakPolarHBondContact O-CG2 3.49Å; V134-T138 PolarHBondContact O-N 3.4Å; V134-T138 PolarHBondContact O-OG1 3.05Å; V134-Q172 HydrophobicContact CG2-CB 4.04Å; V134-Q172 VanDerWaalsContact CG2-O 3.31Å; V134-Q172 WeakPolarHBondContact CG2-O 3.35Å; V134-A176 HydrophobicContact CG2-CB 4.14Å |
| 135 | A | 97 | Very high | 95.6 | Very high | 42 Ų | 42 | 54.9 Ų | 54.9 | 35% | 0.347 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P131 Q132 L133 V137 T138 D139 | P131-A135 WeakPolarHBondContact O-CB 3.4Å; P131-A135 PolarHBondContact O-N 3.07Å; Q132-A135 PolarHBondContact O-N 3Å; L133-A135 PolarHBondContact O-N 3.26Å; A135-V137 VanDerWaalsContact C-N 3.28Å; A135-V137 PolarHBondContact O-N 3.3Å; A135-T138 PolarHBondContact O-N 3.1Å; A135-D139 VanDerWaalsContact O-CB 3.23Å; A135-D139 WeakPolarHBondContact O-CB 3.31Å; A135-D139 PolarHBondContact O-N 3.45Å |
| 136 | N | 97.1 | Very high | 95.7 | Very high | 16 Ų | 16 | 53.3 Ų | 53.3 | 9% | 0.086 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.5 | -36.3 | 179.2 | -73 | -0.1 | 0 | 0 | 0 | 112.8 | Q132 L133 V134 S142 M146 T150 | Q132-N136 PolarHBondContact NE2-OD1 3.48Å; Q132-N136 VanDerWaalsContact O-CG 3.23Å; Q132-N136 PolarHBondContact O-N 3.37Å; Q132-N136 PolarHBondContact O-OD1 2.94Å; L133-N136 PolarHBondContact O-N 3.27Å; V134-N136 VanDerWaalsContact C-N 3.34Å; V134-N136 PolarHBondContact O-N 3.06Å; N136-S142 WeakPolarHBondContact O-CB 3.42Å; N136-S142 PolarHBondContact O-OG 2.78Å; N136-M146 HydrophobicContact CB-CG 4.12Å; N136-M146 HydrophobicContact CB-SD 3.97Å; N136-M146 PolarHBondContact ND2-SD 3.46Å; N136-T150 HydrophobicContact CB-CG2 3.86Å; N136-T150 WeakPolarHBondContact CB-OG1 3.44Å; N136-T150 PolarHBondContact ND2-OG1 3.02Å |
| 137 | V | 97.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -83.2 | -40.2 | 179.7 | -178.5 | 0 | 0 | 0 | 0 | 112.3 | L133 V134 A135 T150 L151 A176 | L133-V137 PolarHBondContact O-N 2.7Å; V134-V137 PolarHBondContact O-N 2.82Å; A135-V137 VanDerWaalsContact C-N 3.28Å; A135-V137 PolarHBondContact O-N 3.3Å; V137-T150 HydrophobicContact CG2-CG2 3.63Å; V137-L151 HydrophobicContact CG1-CD1 4.46Å; V137-L151 HydrophobicContact CG1-CD2 4.24Å; V137-L151 HydrophobicContact CG1-CG 4.43Å; V137-L151 HydrophobicContact CG2-CD2 4.05Å; V137-L151 HydrophobicContact CG2-CG 3.93Å; V137-A176 HydrophobicContact CB-CB 4.13Å; V137-A176 HydrophobicContact CG1-CB 4.42Å; V137-A176 VanDerWaalsContact CG1-O 3.3Å; V137-A176 WeakPolarHBondContact CG1-O 3.41Å; V137-A176 HydrophobicContact CG2-CB 4.3Å |
| 138 | T | 95.7 | Very high | 95.9 | Very high | 56 Ų | 56 | 50 Ų | 50 | 34% | 0.344 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -83.5 | -19.9 | -172.8 | 58.8 | 0 | 0 | 0 | 0 | 113.9 | V134 A135 P140 T175 Q179 | V134-T138 HydrophobicContact CG1-CG2 4Å; V134-T138 WeakPolarHBondContact O-CB 3.33Å; V134-T138 VanDerWaalsContact O-CG2 3.32Å; V134-T138 WeakPolarHBondContact O-CG2 3.49Å; V134-T138 PolarHBondContact O-N 3.4Å; V134-T138 PolarHBondContact O-OG1 3.05Å; A135-T138 PolarHBondContact O-N 3.1Å; T138-P140 WeakPolarHBondContact O-CD 3.46Å; T138-T175 HydrophobicContact CG2-CG2 4.45Å; T138-Q179 HydrophobicContact CG2-CB 4.37Å; T138-Q179 HydrophobicContact CG2-CG 4.24Å |
| 139 | D | 95.5 | Very high | 96.1 | Very high | 71 Ų | 71 | 44.9 Ų | 44.9 | 38% | 0.38 | 26% | 0.262 | S | S | . | . | trans | -65 | 118.4 | 175 | -174.3 | -17.5 | 0 | 0 | 0 | 110.4 | A135 S141 S142 | A135-D139 VanDerWaalsContact O-CB 3.23Å; A135-D139 WeakPolarHBondContact O-CB 3.31Å; A135-D139 PolarHBondContact O-N 3.45Å; D139-S141 PolarHBondContact O-N 3.08Å; D139-S141 VanDerWaalsContact O-N 3.15Å; D139-S141 WeakPolarHBondContact OD1-CB 3.36Å; D139-S141 PolarHBondContact OD1-N 3.35Å; D139-S141 PolarHBondContact OD1-OG 2.92Å; D139-S141 PolarHBondContact OD2-OG 3.42Å; D139-S141 VanDerWaalsContact OD2-OG 3.13Å; D139-S142 VanDerWaalsContact O-CB 3.32Å; D139-S142 WeakPolarHBondContact O-CB 3.41Å; D139-S142 PolarHBondContact O-N 3.31Å; D139-S142 VanDerWaalsContact O-N 3.08Å; D139-S142 PolarHBondContact O-OG 3.37Å | ||
| 140 | P | 91.9 | Very high | 96.2 | Very high | 128 Ų | 128 | 44.8 Ų | 44.8 | 83% | 0.831 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -14.2 | -180 | 26.8 | -33.7 | 0 | 0 | 0 | 113.4 | T138 | T138-P140 WeakPolarHBondContact O-CD 3.46Š|
| 141 | S | 94.5 | Very high | 96.3 | Very high | 94 Ų | 94 | 44 Ų | 44 | 66% | 0.657 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -8.2 | 175 | 74 | 0 | 0 | 0 | 0 | 114 | D139 | D139-S141 PolarHBondContact O-N 3.08Å; D139-S141 VanDerWaalsContact O-N 3.15Å; D139-S141 WeakPolarHBondContact OD1-CB 3.36Å; D139-S141 PolarHBondContact OD1-N 3.35Å; D139-S141 PolarHBondContact OD1-OG 2.92Å; D139-S141 PolarHBondContact OD2-OG 3.42Å; D139-S141 VanDerWaalsContact OD2-OG 3.13Å |
| 142 | S | 96.4 | Very high | 96.3 | Very high | 23 Ų | 23 | 42.5 Ų | 42.5 | 16% | 0.161 | 25% | 0.245 | C | C | . | . | trans | -62.9 | 137.9 | 176.9 | -73.8 | 0 | 0 | 0 | 0 | 112.4 | N136 D139 | N136-S142 WeakPolarHBondContact O-CB 3.42Å; N136-S142 PolarHBondContact O-OG 2.78Å; D139-S142 VanDerWaalsContact O-CB 3.32Å; D139-S142 WeakPolarHBondContact O-CB 3.41Å; D139-S142 PolarHBondContact O-N 3.31Å; D139-S142 VanDerWaalsContact O-N 3.08Å; D139-S142 PolarHBondContact O-OG 3.37Å | ||
| 143 | T | 96.1 | Very high | 96.4 | Very high | 82 Ų | 82 | 38.5 Ų | 38.5 | 50% | 0.503 | 23% | 0.226 | S | C | . | . | trans | -71.7 | 162.3 | 176.3 | 64 | 0 | 0 | 0 | 0 | 111.5 | H145 M146 K147 | T143-H145 VanDerWaalsContact C-N 3.32Å; T143-H145 PolarHBondContact O-N 3.44Å; T143-M146 PolarHBondContact O-N 3.44Å; T143-M146 WeakPolarHBondContact OG1-CB 3.41Å; T143-M146 PolarHBondContact OG1-N 2.95Å; T143-K147 PolarHBondContact O-N 2.97Å; T143-K147 VanDerWaalsContact O-N 3.08Å | ||
| 144 | E | 95.4 | Very high | 96.4 | Very high | 74 Ų | 74 | 38.6 Ų | 38.6 | 35% | 0.346 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -51.4 | -51.5 | 172.1 | 176.3 | 178.3 | -179 | 0 | 0 | 111.4 | R105 M146 K147 E148 S187 N189 V190 | R105-E144 IonicContact NH2-OE1 2.76Å; R105-E144 PolarHBondContact NH2-OE1 3.22Å; E144-M146 VanDerWaalsContact C-N 3.32Å; E144-M146 PolarHBondContact O-N 3.03Å; E144-K147 PolarHBondContact O-N 3.25Å; E144-E148 WeakPolarHBondContact O-CB 3.47Å; E144-E148 PolarHBondContact O-N 3.36Å; E144-S187 WeakPolarHBondContact CG-OG 3.39Å; E144-S187 PolarHBondContact OE1-OG 2.94Å; E144-N189 PolarHBondContact OE1-ND2 2.87Å; E144-V190 HydrophobicContact CG-CG2 4.02Å |
| 145 | H | 94.5 | Very high | 96.4 | Very high | 72 Ų | 72 | 37.8 Ų | 37.8 | 33% | 0.333 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.5 | -36.6 | -179 | -66.1 | -54.9 | 0 | 0 | 0 | 113 | T143 E148 S149 | T143-H145 VanDerWaalsContact C-N 3.32Å; T143-H145 PolarHBondContact O-N 3.44Å; H145-E148 IonicContact ND1-OE2 3.08Å; H145-S149 WeakPolarHBondContact O-CB 3.29Å; H145-S149 PolarHBondContact O-N 3.35Å; H145-S149 PolarHBondContact O-OG 3.04Å |
| 146 | M | 96.3 | Very high | 96.3 | Very high | 44 Ų | 44 | 38.6 Ų | 38.6 | 22% | 0.217 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.7 | -49.5 | 176.1 | 176.6 | 59.8 | 78 | 0 | 0 | 110.7 | L99 N136 T143 E144 S149 T150 | L99-M146 HydrophobicContact CB-SD 4.06Å; L99-M146 WeakPolarHBondContact O-CE 3.45Å; N136-M146 HydrophobicContact CB-CG 4.12Å; N136-M146 HydrophobicContact CB-SD 3.97Å; N136-M146 PolarHBondContact ND2-SD 3.46Å; T143-M146 PolarHBondContact O-N 3.44Å; T143-M146 WeakPolarHBondContact OG1-CB 3.41Å; T143-M146 PolarHBondContact OG1-N 2.95Å; E144-M146 VanDerWaalsContact C-N 3.32Å; E144-M146 PolarHBondContact O-N 3.03Å; M146-S149 PolarHBondContact O-OG 3.34Å; M146-T150 VanDerWaalsContact O-CB 3.23Å; M146-T150 WeakPolarHBondContact O-CB 3.3Å; M146-T150 PolarHBondContact O-N 3.16Å; M146-T150 VanDerWaalsContact O-N 3.11Å; M146-T150 PolarHBondContact O-OG1 2.96Å |
| 147 | K | 97.2 | Very high | 96.3 | Very high | 22 Ų | 22 | 37.9 Ų | 37.9 | 10% | 0.096 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.6 | -49.5 | 179.4 | -67.6 | -179 | 174.3 | 176.7 | 0 | 111.6 | T143 E144 T150 L151 E185 V190 | T143-K147 PolarHBondContact O-N 2.97Å; T143-K147 VanDerWaalsContact O-N 3.08Å; E144-K147 PolarHBondContact O-N 3.25Å; K147-T150 PolarHBondContact O-N 3.43Å; K147-L151 WeakPolarHBondContact O-CB 3.23Å; K147-L151 WeakPolarHBondContact O-CD1 3.49Å; K147-L151 VanDerWaalsContact O-CG 3.29Å; K147-L151 WeakPolarHBondContact O-CG 3.23Å; K147-L151 PolarHBondContact O-N 3.18Å; K147-E185 IonicContact NZ-OE1 2.87Å; K147-E185 IonicContact NZ-OE2 3.88Å; K147-E185 PolarHBondContact NZ-OE2 2.97Å; K147-V190 HydrophobicContact CB-CG1 3.87Å; K147-V190 HydrophobicContact CB-CG2 3.81Å; K147-V190 HydrophobicContact CD-CG1 4.16Å; K147-V190 HydrophobicContact CD-CG2 4.49Å |
| 148 | E | 96.3 | Very high | 96.1 | Very high | 13 Ų | 13 | 38 Ų | 38 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.4 | -56 | -178.6 | 179.4 | -178.8 | -147.8 | 0 | 0 | 111.8 | R105 E144 H145 T150 L151 E152 N189 V190 A193 | R105-E148 IonicContact CZ-OE1 2.65Å; R105-E148 IonicContact CZ-OE2 2.62Å; R105-E148 IonicContact NE-OE1 3.72Å; R105-E148 PolarHBondContact NE-OE1 3Å; R105-E148 IonicContact NE-OE2 2.84Å; R105-E148 PolarHBondContact NE-OE2 3.07Å; R105-E148 IonicContact NH1-OE1 2.73Å; R105-E148 PolarHBondContact NH1-OE1 2.89Å; R105-E148 IonicContact NH1-OE2 3.12Å; R105-E148 IonicContact NH2-OE1 3.37Å; R105-E148 PolarHBondContact NH2-OE1 3.06Å; R105-E148 IonicContact NH2-OE2 3.3Å; R105-E148 PolarHBondContact NH2-OE2 2.97Å; E144-E148 WeakPolarHBondContact O-CB 3.47Å; E144-E148 PolarHBondContact O-N 3.36Å; H145-E148 IonicContact ND1-OE2 3.08Å; E148-T150 VanDerWaalsContact C-N 3.27Å; E148-T150 PolarHBondContact O-N 3.11Å; E148-L151 PolarHBondContact O-N 3.34Å; E148-L151 VanDerWaalsContact O-N 3.13Å; E148-E152 WeakPolarHBondContact O-CG 3.47Å; E148-E152 PolarHBondContact O-N 3.45Å; E148-N189 WeakPolarHBondContact OE1-CB 3.48Å; E148-V190 HydrophobicContact CB-CG2 4.27Å; E148-A193 HydrophobicContact CG-CB 4.4Å |
| 149 | S | 97 | Very high | 95.9 | Very high | 7 Ų | 7 | 41 Ų | 41 | 5% | 0.049 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.7 | -35.2 | 179.6 | 57.2 | 0 | 0 | 0 | 0 | 112.5 | G100 S110 H145 M146 E152 A153 | G100-S149 PolarHBondContact N-OG 3.39Å; S110-S149 PolarHBondContact OG-O 2.92Å; H145-S149 WeakPolarHBondContact O-CB 3.29Å; H145-S149 PolarHBondContact O-N 3.35Å; H145-S149 PolarHBondContact O-OG 3.04Å; M146-S149 PolarHBondContact O-OG 3.34Å; S149-E152 PolarHBondContact O-N 3.07Å; S149-A153 PolarHBondContact O-N 3.1Å |
| 150 | T | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.5 | -42.6 | 175.5 | -60.1 | 0 | 0 | 0 | 0 | 111.7 | L133 N136 V137 M146 K147 E148 A153 I154 | L133-T150 HydrophobicContact CB-CG2 3.77Å; L133-T150 HydrophobicContact CD2-CG2 3.76Å; L133-T150 HydrophobicContact CG-CG2 4.33Å; L133-T150 VanDerWaalsContact O-CG2 3.31Å; L133-T150 WeakPolarHBondContact O-CG2 3.5Å; N136-T150 HydrophobicContact CB-CG2 3.86Å; N136-T150 WeakPolarHBondContact CB-OG1 3.44Å; N136-T150 PolarHBondContact ND2-OG1 3.02Å; V137-T150 HydrophobicContact CG2-CG2 3.63Å; M146-T150 VanDerWaalsContact O-CB 3.23Å; M146-T150 WeakPolarHBondContact O-CB 3.3Å; M146-T150 PolarHBondContact O-N 3.16Å; M146-T150 VanDerWaalsContact O-N 3.11Å; M146-T150 PolarHBondContact O-OG1 2.96Å; K147-T150 PolarHBondContact O-N 3.43Å; E148-T150 VanDerWaalsContact C-N 3.27Å; E148-T150 PolarHBondContact O-N 3.11Å; T150-A153 WeakPolarHBondContact O-CB 3.17Å; T150-A153 PolarHBondContact O-N 2.94Å; T150-I154 HydrophobicContact CG2-CD1 4.4Å; T150-I154 WeakPolarHBondContact O-CG1 3.42Å; T150-I154 PolarHBondContact O-N 3.44Å |
| 151 | L | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.3 | -36.1 | 177.3 | -71.6 | 160 | 0 | 0 | 0 | 112 | V137 K147 E148 A153 I154 G155 V190 A193 A194 | V137-L151 HydrophobicContact CG1-CD1 4.46Å; V137-L151 HydrophobicContact CG1-CD2 4.24Å; V137-L151 HydrophobicContact CG1-CG 4.43Å; V137-L151 HydrophobicContact CG2-CD2 4.05Å; V137-L151 HydrophobicContact CG2-CG 3.93Å; K147-L151 WeakPolarHBondContact O-CB 3.23Å; K147-L151 WeakPolarHBondContact O-CD1 3.49Å; K147-L151 VanDerWaalsContact O-CG 3.29Å; K147-L151 WeakPolarHBondContact O-CG 3.23Å; K147-L151 PolarHBondContact O-N 3.18Å; E148-L151 PolarHBondContact O-N 3.34Å; E148-L151 VanDerWaalsContact O-N 3.13Å; L151-A153 VanDerWaalsContact C-N 3.31Å; L151-A153 PolarHBondContact O-N 3.34Å; L151-I154 HydrophobicContact CD2-CD1 4.4Å; L151-I154 PolarHBondContact O-N 3.5Å; L151-G155 PolarHBondContact O-N 3.45Å; L151-V190 HydrophobicContact CD1-CG1 3.67Å; L151-A193 HydrophobicContact CB-CB 3.81Å; L151-A193 HydrophobicContact CD1-CB 4.49Å; L151-A194 HydrophobicContact CD1-CB 3.79Å; L151-A194 HydrophobicContact CD2-CB 3.89Å; L151-A194 HydrophobicContact CG-CB 4.37Å |
| 152 | E | 97.1 | Very high | 95.1 | Very high | 37 Ų | 37 | 34 Ų | 34 | 17% | 0.173 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.4 | -42.7 | 169 | -71.9 | 177.5 | -177.9 | 0 | 0 | 111.2 | S107 E148 S149 G155 Y156 A193 | S107-E152 WeakPolarHBondContact CB-OE2 3.36Å; S107-E152 PolarHBondContact N-OE2 3.48Å; E148-E152 WeakPolarHBondContact O-CG 3.47Å; E148-E152 PolarHBondContact O-N 3.45Å; S149-E152 PolarHBondContact O-N 3.07Å; E152-G155 PolarHBondContact O-N 3.4Å; E152-Y156 HydrophobicContact CB-CE2 4.39Å; E152-Y156 WeakPolarHBondContact O-CD2 3.49Å; E152-Y156 PolarHBondContact O-N 3.26Å; E152-A193 HydrophobicContact CG-CB 4.36Å |
| 153 | A | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.1 | -42.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V113 S149 T150 L151 G155 Y156 I157 | V113-A153 HydrophobicContact CB-CB 4.26Å; V113-A153 HydrophobicContact CG1-CB 4.23Å; S149-A153 PolarHBondContact O-N 3.1Å; T150-A153 WeakPolarHBondContact O-CB 3.17Å; T150-A153 PolarHBondContact O-N 2.94Å; L151-A153 VanDerWaalsContact C-N 3.31Å; L151-A153 PolarHBondContact O-N 3.34Å; A153-G155 VanDerWaalsContact C-N 3.35Å; A153-Y156 PolarHBondContact O-N 3.11Å; A153-I157 WeakPolarHBondContact O-CB 3.46Å; A153-I157 WeakPolarHBondContact O-CD1 3.49Å; A153-I157 WeakPolarHBondContact O-CG1 3.46Å; A153-I157 PolarHBondContact O-N 3.49Å |
| 154 | I | 97.9 | Very high | 94.1 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.3 | -47.6 | 172.6 | -67.2 | 169.4 | 0 | 0 | 0 | 109.9 | L133 T150 L151 Y156 I157 C158 I173 A176 I177 A197 | L133-I154 HydrophobicContact CB-CD1 4.23Å; L133-I154 HydrophobicContact CB-CG1 4.22Å; L133-I154 HydrophobicContact CD1-CG1 3.93Å; T150-I154 HydrophobicContact CG2-CD1 4.4Å; T150-I154 WeakPolarHBondContact O-CG1 3.42Å; T150-I154 PolarHBondContact O-N 3.44Å; L151-I154 HydrophobicContact CD2-CD1 4.4Å; L151-I154 PolarHBondContact O-N 3.5Å; I154-Y156 PolarHBondContact O-N 3.14Å; I154-I157 WeakPolarHBondContact O-CB 3.4Å; I154-I157 PolarHBondContact O-N 2.96Å; I154-C158 PolarHBondContact O-N 3.49Å; I154-C158 PolarHBondContact O-SG 3.24Å; I154-I173 HydrophobicContact CG2-CG2 3.82Å; I154-A176 HydrophobicContact CD1-CB 3.89Å; I154-I177 HydrophobicContact CG2-CD1 3.9Å; I154-I177 HydrophobicContact CG2-CG1 4.02Å; I154-A197 HydrophobicContact CG2-CB 4.3Å |
| 155 | G | 96.5 | Very high | 93.8 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 6% | 0.062 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.7 | -42.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L151 E152 A153 Q159 N200 | L151-G155 PolarHBondContact O-N 3.45Å; E152-G155 PolarHBondContact O-N 3.4Å; A153-G155 VanDerWaalsContact C-N 3.35Å; G155-Q159 WeakPolarHBondContact O-CB 3.14Å; G155-Q159 PolarHBondContact O-N 2.94Å; G155-Q159 VanDerWaalsContact O-N 3.1Å; G155-N200 PolarHBondContact O-ND2 3.25Å |
| 156 | Y | 96.1 | Very high | 93.6 | Very high | 59 Ų | 59 | 32.7 Ų | 32.7 | 23% | 0.231 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.8 | -39.1 | 174.8 | -69.1 | -52.7 | 0 | 0 | 0 | 112.6 | Q111 A114 E152 A153 I154 Q159 D160 | Q111-Y156 HydrophobicContact CG-CD2 4.05Å; Q111-Y156 HydrophobicContact CG-CE2 3.61Å; A114-Y156 VanDerWaalsContact CB-CB 3.43Å; E152-Y156 HydrophobicContact CB-CE2 4.39Å; E152-Y156 WeakPolarHBondContact O-CD2 3.49Å; E152-Y156 PolarHBondContact O-N 3.26Å; A153-Y156 PolarHBondContact O-N 3.11Å; I154-Y156 PolarHBondContact O-N 3.14Å; Y156-Q159 PolarHBondContact O-N 3.22Å; Y156-D160 WeakPolarHBondContact O-CB 3.44Å; Y156-D160 PolarHBondContact O-N 3.15Å |
| 157 | I | 96.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59 | -48.6 | 174.2 | -72.7 | 165.7 | 0 | 0 | 0 | 110.3 | V113 A114 A117 I121 L129 L133 A153 I154 Q159 D160 I161 L166 | V113-I157 HydrophobicContact CG1-CD1 4.11Å; A114-I157 HydrophobicContact CB-CG1 4.2Å; A117-I157 HydrophobicContact CB-CD1 4.16Å; A117-I157 HydrophobicContact CB-CG1 3.9Å; I121-I157 HydrophobicContact CD1-CG2 4.27Å; L129-I157 HydrophobicContact CD2-CD1 4.02Å; L133-I157 HydrophobicContact CD1-CD1 3.75Å; A153-I157 WeakPolarHBondContact O-CB 3.46Å; A153-I157 WeakPolarHBondContact O-CD1 3.49Å; A153-I157 WeakPolarHBondContact O-CG1 3.46Å; A153-I157 PolarHBondContact O-N 3.49Å; I154-I157 WeakPolarHBondContact O-CB 3.4Å; I154-I157 PolarHBondContact O-N 2.96Å; I157-Q159 PolarHBondContact O-N 3.01Å; I157-D160 PolarHBondContact O-N 3.04Å; I157-I161 HydrophobicContact CG2-CD1 3.81Å; I157-I161 HydrophobicContact CG2-CG1 4.42Å; I157-I161 VanDerWaalsContact O-CB 3.31Å; I157-I161 WeakPolarHBondContact O-CB 3.25Å; I157-I161 WeakPolarHBondContact O-CG1 3.44Å; I157-I161 PolarHBondContact O-N 3.48Å; I157-I161 VanDerWaalsContact O-N 3.16Å; I157-L166 HydrophobicContact CG2-CD1 4.09Å; I157-L166 HydrophobicContact CG2-CD2 4.05Å |
| 158 | C | 94.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 3% | 0.027 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.3 | -27.8 | 179.1 | -59.3 | 0 | 0 | 0 | 0 | 112.8 | I154 N200 F204 | I154-C158 PolarHBondContact O-N 3.49Å; I154-C158 PolarHBondContact O-SG 3.24Å; C158-N200 HydrophobicContact CB-CB 3.72Å; C158-F204 HydrophobicContact CB-CE1 4.01Å; C158-F204 HydrophobicContact CB-CZ 4.15Å |
| 159 | Q | 91.2 | Very high | 92.5 | Very high | 119 Ų | 119 | 44.7 Ų | 44.7 | 56% | 0.556 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -83 | -39.7 | -179.7 | -177.5 | -179.4 | -22.9 | 0 | 0 | 112.9 | G155 Y156 I157 N200 | G155-Q159 WeakPolarHBondContact O-CB 3.14Å; G155-Q159 PolarHBondContact O-N 2.94Å; G155-Q159 VanDerWaalsContact O-N 3.1Å; Y156-Q159 PolarHBondContact O-N 3.22Å; I157-Q159 PolarHBondContact O-N 3.01Å; Q159-N200 HydrophobicContact CB-CB 4.41Å |
| 160 | D | 89.9 | Confident | 92.2 | Very high | 55 Ų | 55 | 44.5 Ų | 44.5 | 29% | 0.294 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -98.4 | -12.3 | -168.2 | -68.8 | -27.4 | 0 | 0 | 0 | 114.1 | K73 C118 Y156 I157 | K73-D160 PolarHBondContact NZ-O 3.03Å; K73-D160 VanDerWaalsContact NZ-O 3.09Å; C118-D160 WeakPolarHBondContact SG-CB 3.33Å; Y156-D160 WeakPolarHBondContact O-CB 3.44Å; Y156-D160 PolarHBondContact O-N 3.15Å; I157-D160 PolarHBondContact O-N 3.04Å |
| 161 | I | 89.8 | Confident | 91.9 | Very high | 11 Ų | 11 | 48.1 Ų | 48.1 | 6% | 0.056 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -104.7 | 139.8 | 178 | -56.8 | -169.5 | 0 | 0 | 0 | 109.6 | A117 C118 I121 I157 Q165 L166 | A117-I161 HydrophobicContact CB-CD1 4.11Å; C118-I161 HydrophobicContact CB-CG1 4.16Å; C118-I161 WeakPolarHBondContact SG-CG1 3.38Å; I121-I161 HydrophobicContact CB-CD1 4.18Å; I121-I161 HydrophobicContact CD1-CD1 3.7Å; I121-I161 HydrophobicContact CG1-CD1 4.34Å; I157-I161 HydrophobicContact CG2-CD1 3.81Å; I157-I161 HydrophobicContact CG2-CG1 4.42Å; I157-I161 VanDerWaalsContact O-CB 3.31Å; I157-I161 WeakPolarHBondContact O-CB 3.25Å; I157-I161 WeakPolarHBondContact O-CG1 3.44Å; I157-I161 PolarHBondContact O-N 3.48Å; I157-I161 VanDerWaalsContact O-N 3.16Å; I161-Q165 HydrophobicContact CG2-CB 3.93Å; I161-L166 HydrophobicContact CB-CD1 4.17Å; I161-L166 HydrophobicContact CB-CG 4.42Å; I161-L166 HydrophobicContact CG2-CD1 4.37Å; I161-L166 HydrophobicContact CG2-CD2 4.37Å; I161-L166 HydrophobicContact CG2-CG 4.07Å |
| 162 | D | 84.7 | Confident | 91.7 | Very high | 79 Ų | 79 | 52.3 Ų | 52.3 | 42% | 0.422 | 26% | 0.257 | S | S | . | . | trans | -49.8 | 124 | 169.8 | -173.3 | -32 | 0 | 0 | 0 | 111.7 | E164 Q165 | D162-E164 PolarHBondContact O-N 3.11Å; D162-E164 VanDerWaalsContact O-N 3.12Å; D162-E164 WeakPolarHBondContact OD1-CB 3.43Å; D162-E164 PolarHBondContact OD1-N 3.26Å; D162-Q165 HydrophobicContact CB-CG 4.11Å; D162-Q165 WeakPolarHBondContact O-CB 3.39Å; D162-Q165 PolarHBondContact O-N 2.85Å | ||
| 163 | P | 86.4 | Confident | 91.6 | Very high | 34 Ų | 34 | 50.7 Ų | 50.7 | 22% | 0.221 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -48.6 | -36.4 | 178.5 | -29.7 | 36.3 | 0 | 0 | 0 | 114.3 | Q165 L166 Q167 E203 F204 | P163-Q165 VanDerWaalsContact C-N 3.26Å; P163-Q165 PolarHBondContact O-N 3.48Å; P163-L166 PolarHBondContact O-N 3.02Å; P163-L166 VanDerWaalsContact O-N 3.12Å; P163-Q167 PolarHBondContact O-N 3.42Å; P163-E203 HydrophobicContact CB-CB 4.13Å; P163-E203 HydrophobicContact CG-CB 3.91Å; P163-E203 WeakPolarHBondContact CG-OE2 3.28Å; P163-F204 HydrophobicContact CB-CB 3.86Å; P163-F204 HydrophobicContact CB-CD1 3.99Å; P163-F204 HydrophobicContact CB-CG 4.43Å; P163-F204 WeakPolarHBondContact O-CB 3.37Å |
| 164 | E | 85.2 | Confident | 91.5 | Very high | 106 Ų | 106 | 51 Ų | 51 | 50% | 0.495 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.3 | -36.2 | -178.6 | -63.8 | -161.2 | 152.8 | 0 | 0 | 112.3 | D162 L166 Q167 | D162-E164 PolarHBondContact O-N 3.11Å; D162-E164 VanDerWaalsContact O-N 3.12Å; D162-E164 WeakPolarHBondContact OD1-CB 3.43Å; D162-E164 PolarHBondContact OD1-N 3.26Å; E164-L166 PolarHBondContact O-N 2.95Å; E164-Q167 PolarHBondContact O-N 3.04Å |
| 165 | Q | 88.9 | Confident | 91.3 | Very high | 85 Ų | 85 | 54.5 Ų | 54.5 | 40% | 0.397 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -71.9 | -17.9 | -178.6 | -58.3 | -63.3 | -41.8 | 0 | 0 | 112.7 | I121 P122 I161 D162 P163 | I121-Q165 HydrophobicContact CG2-CB 4.48Å; P122-Q165 HydrophobicContact CB-CG 4.43Å; P122-Q165 HydrophobicContact CG-CG 4.34Å; I161-Q165 HydrophobicContact CG2-CB 3.93Å; D162-Q165 HydrophobicContact CB-CG 4.11Å; D162-Q165 WeakPolarHBondContact O-CB 3.39Å; D162-Q165 PolarHBondContact O-N 2.85Å; P163-Q165 VanDerWaalsContact C-N 3.26Å; P163-Q165 PolarHBondContact O-N 3.48Å |
| 166 | L | 91.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -99.9 | -12.3 | -177.7 | -65.2 | 179.2 | 0 | 0 | 0 | 113.5 | I121 I157 I161 P163 E164 E168 T169 A170 I173 F204 | I121-L166 HydrophobicContact CD1-CD2 4.08Å; I121-L166 HydrophobicContact CG2-CD2 4.24Å; I157-L166 HydrophobicContact CG2-CD1 4.09Å; I157-L166 HydrophobicContact CG2-CD2 4.05Å; I161-L166 HydrophobicContact CB-CD1 4.17Å; I161-L166 HydrophobicContact CB-CG 4.42Å; I161-L166 HydrophobicContact CG2-CD1 4.37Å; I161-L166 HydrophobicContact CG2-CD2 4.37Å; I161-L166 HydrophobicContact CG2-CG 4.07Å; P163-L166 PolarHBondContact O-N 3.02Å; P163-L166 VanDerWaalsContact O-N 3.12Å; E164-L166 PolarHBondContact O-N 2.95Å; L166-E168 VanDerWaalsContact C-N 3.31Å; L166-E168 PolarHBondContact O-N 3.02Å; L166-T169 CarbonylContact O-C 3.47Å; L166-T169 PolarHBondContact O-N 2.9Å; L166-T169 PolarHBondContact O-OG1 2.79Å; L166-A170 PolarHBondContact O-N 3.08Å; L166-A170 VanDerWaalsContact O-N 3.08Å; L166-I173 HydrophobicContact CB-CD1 4.5Å; L166-I173 HydrophobicContact CD2-CD1 4.33Å; L166-F204 HydrophobicContact CB-CD1 4.13Å; L166-F204 HydrophobicContact CB-CD2 4.12Å; L166-F204 HydrophobicContact CB-CE1 4.12Å; L166-F204 HydrophobicContact CB-CE2 4.13Å; L166-F204 HydrophobicContact CB-CG 4.1Å; L166-F204 HydrophobicContact CB-CZ 4.12Å; L166-F204 HydrophobicContact CD1-CD1 4.25Å; L166-F204 HydrophobicContact CD1-CE1 3.63Å; L166-F204 HydrophobicContact CD1-CZ 3.88Å |
| 167 | Q | 87.9 | Confident | 91.4 | Very high | 108 Ų | 108 | 51.4 Ų | 51.4 | 51% | 0.505 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -55.9 | -40.1 | -172.5 | -163.4 | -178.6 | 15.5 | 0 | 0 | 113.4 | P163 E164 T169 A170 | P163-Q167 PolarHBondContact O-N 3.42Å; E164-Q167 PolarHBondContact O-N 3.04Å; Q167-T169 PolarHBondContact O-N 3Å; Q167-A170 WeakPolarHBondContact O-CB 3.49Å; Q167-A170 PolarHBondContact O-N 3.07Å |
| 168 | E | 87.9 | Confident | 91.4 | Very high | 187 Ų | 187 | 51.8 Ų | 51.8 | 87% | 0.874 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -64.5 | -28.9 | 178.1 | -64.7 | -165.5 | 161.9 | 0 | 0 | 113.1 | L166 | L166-E168 VanDerWaalsContact C-N 3.31Å; L166-E168 PolarHBondContact O-N 3.02Å |
| 169 | T | 89.9 | Confident | 91.4 | Very high | 36 Ų | 36 | 54.1 Ų | 54.1 | 22% | 0.221 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -100.6 | 0.4 | -177.6 | 64.2 | 0 | 0 | 0 | 0 | 113.6 | I130 L166 Q167 N171 Q172 I173 | I130-T169 HydrophobicContact CG1-CG2 4.41Å; L166-T169 CarbonylContact O-C 3.47Å; L166-T169 PolarHBondContact O-N 2.9Å; L166-T169 PolarHBondContact O-OG1 2.79Å; Q167-T169 PolarHBondContact O-N 3Å; T169-N171 VanDerWaalsContact C-N 3.28Å; T169-N171 PolarHBondContact O-N 3.34Å; T169-N171 VanDerWaalsContact O-N 3.15Å; T169-Q172 WeakPolarHBondContact O-CB 3.23Å; T169-Q172 PolarHBondContact O-N 2.94Å; T169-I173 PolarHBondContact O-N 3.17Å; T169-I173 VanDerWaalsContact O-N 3.12Å; T169-I173 WeakPolarHBondContact OG1-CD1 3.12Å |
| 170 | A | 91.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 2% | 0.017 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -51 | -43.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L166 Q167 Q172 I173 L174 F204 | L166-A170 PolarHBondContact O-N 3.08Å; L166-A170 VanDerWaalsContact O-N 3.08Å; Q167-A170 WeakPolarHBondContact O-CB 3.49Å; Q167-A170 PolarHBondContact O-N 3.07Å; A170-Q172 VanDerWaalsContact C-N 3.31Å; A170-Q172 PolarHBondContact O-N 3.43Å; A170-I173 PolarHBondContact O-N 3.08Å; A170-L174 WeakPolarHBondContact O-CB 3.48Å; A170-L174 WeakPolarHBondContact O-CG 3.36Å; A170-L174 PolarHBondContact O-N 2.97Å; A170-F204 HydrophobicContact CB-CD2 3.95Å; A170-F204 HydrophobicContact CB-CE2 4.32Å |
| 171 | N | 91.6 | Very high | 92 | Very high | 77 Ų | 77 | 46.1 Ų | 46.1 | 41% | 0.412 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.3 | -41 | 178 | -67.2 | -47.9 | 0 | 0 | 0 | 113 | T169 T175 N208 | T169-N171 VanDerWaalsContact C-N 3.28Å; T169-N171 PolarHBondContact O-N 3.34Å; T169-N171 VanDerWaalsContact O-N 3.15Å; N171-T175 WeakPolarHBondContact O-CB 3.15Å; N171-T175 PolarHBondContact O-N 2.87Å; N171-T175 PolarHBondContact O-OG1 3.15Å; N171-N208 PolarHBondContact OD1-ND2 3.45Å |
| 172 | Q | 93.2 | Very high | 92.3 | Very high | 87 Ų | 87 | 49.9 Ų | 49.9 | 41% | 0.407 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -71.2 | -46 | -178.9 | -66.6 | -175.8 | 10.4 | 0 | 0 | 110.2 | I130 V134 T169 A170 T175 A176 | I130-Q172 HydrophobicContact CG2-CB 3.79Å; V134-Q172 HydrophobicContact CG2-CB 4.04Å; V134-Q172 VanDerWaalsContact CG2-O 3.31Å; V134-Q172 WeakPolarHBondContact CG2-O 3.35Å; T169-Q172 WeakPolarHBondContact O-CB 3.23Å; T169-Q172 PolarHBondContact O-N 2.94Å; A170-Q172 VanDerWaalsContact C-N 3.31Å; A170-Q172 PolarHBondContact O-N 3.43Å; Q172-T175 WeakPolarHBondContact O-CB 3.31Å; Q172-T175 PolarHBondContact O-N 2.88Å; Q172-A176 PolarHBondContact O-N 2.9Å |
| 173 | I | 95.3 | Very high | 92.7 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.7 | -51.5 | 177.2 | -67.7 | 172.3 | 0 | 0 | 0 | 110.3 | I130 I154 L166 T169 A170 T175 A176 I177 F204 | I130-I173 HydrophobicContact CD1-CD1 4.35Å; I130-I173 HydrophobicContact CD1-CG1 4.37Å; I130-I173 HydrophobicContact CG2-CG1 4.15Å; I154-I173 HydrophobicContact CG2-CG2 3.82Å; L166-I173 HydrophobicContact CB-CD1 4.5Å; L166-I173 HydrophobicContact CD2-CD1 4.33Å; T169-I173 PolarHBondContact O-N 3.17Å; T169-I173 VanDerWaalsContact O-N 3.12Å; T169-I173 WeakPolarHBondContact OG1-CD1 3.12Å; A170-I173 PolarHBondContact O-N 3.08Å; I173-T175 VanDerWaalsContact C-N 3.28Å; I173-T175 PolarHBondContact O-N 3.32Å; I173-A176 PolarHBondContact O-N 2.75Å; I173-A176 VanDerWaalsContact O-N 3.14Å; I173-I177 HydrophobicContact CG2-CD1 3.57Å; I173-I177 HydrophobicContact CG2-CG1 4.35Å; I173-I177 WeakPolarHBondContact O-CG1 3.48Å; I173-I177 PolarHBondContact O-N 3.23Å; I173-F204 HydrophobicContact CD1-CE2 4.28Å; I173-F204 HydrophobicContact CD1-CZ 4.4Å; I173-F204 HydrophobicContact CG2-CE2 4.5Å |
| 174 | L | 94.8 | Very high | 93.1 | Very high | 6 Ų | 6 | 58.5 Ų | 58.5 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.1 | -36.9 | 177.1 | -77.1 | 178.3 | 0 | 0 | 0 | 112.6 | A170 A176 I177 I178 L198 T205 N208 I218 | A170-L174 WeakPolarHBondContact O-CB 3.48Å; A170-L174 WeakPolarHBondContact O-CG 3.36Å; A170-L174 PolarHBondContact O-N 2.97Å; L174-A176 VanDerWaalsContact C-N 3.32Å; L174-A176 PolarHBondContact O-N 2.96Å; L174-I177 PolarHBondContact O-N 3.3Å; L174-I178 HydrophobicContact CB-CD1 4.19Å; L174-I178 VanDerWaalsContact O-CB 3.27Å; L174-I178 WeakPolarHBondContact O-CB 3.42Å; L174-I178 WeakPolarHBondContact O-CD1 3.24Å; L174-I178 WeakPolarHBondContact O-CG1 3.49Å; L174-I178 PolarHBondContact O-N 2.67Å; L174-L198 HydrophobicContact CD2-CD1 3.75Å; L174-T205 HydrophobicContact CD1-CG2 3.73Å; L174-T205 HydrophobicContact CD2-CG2 3.86Å; L174-T205 HydrophobicContact CG-CG2 3.89Å; L174-N208 HydrophobicContact CD1-CB 3.76Å; L174-I218 HydrophobicContact CD1-CD1 4.13Å |
| 175 | T | 94.1 | Very high | 93.7 | Very high | 79 Ų | 79 | 54.4 Ų | 54.4 | 49% | 0.485 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 176.5 | -62.6 | 0 | 0 | 0 | 0 | 111.4 | T138 N171 Q172 I173 Q179 | T138-T175 HydrophobicContact CG2-CG2 4.45Å; N171-T175 WeakPolarHBondContact O-CB 3.15Å; N171-T175 PolarHBondContact O-N 2.87Å; N171-T175 PolarHBondContact O-OG1 3.15Å; Q172-T175 WeakPolarHBondContact O-CB 3.31Å; Q172-T175 PolarHBondContact O-N 2.88Å; I173-T175 VanDerWaalsContact C-N 3.28Å; I173-T175 PolarHBondContact O-N 3.32Å; T175-Q179 WeakPolarHBondContact O-CB 3.48Å; T175-Q179 PolarHBondContact O-N 3.27Å; T175-Q179 VanDerWaalsContact O-N 3.13Å |
| 176 | A | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.2 | -48.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V134 V137 I154 Q172 I173 L174 Q179 G180 | V134-A176 HydrophobicContact CG2-CB 4.14Å; V137-A176 HydrophobicContact CB-CB 4.13Å; V137-A176 HydrophobicContact CG1-CB 4.42Å; V137-A176 VanDerWaalsContact CG1-O 3.3Å; V137-A176 WeakPolarHBondContact CG1-O 3.41Å; V137-A176 HydrophobicContact CG2-CB 4.3Å; I154-A176 HydrophobicContact CD1-CB 3.89Å; Q172-A176 PolarHBondContact O-N 2.9Å; I173-A176 PolarHBondContact O-N 2.75Å; I173-A176 VanDerWaalsContact O-N 3.14Å; L174-A176 VanDerWaalsContact C-N 3.32Å; L174-A176 PolarHBondContact O-N 2.96Å; A176-Q179 WeakPolarHBondContact O-CB 3.45Å; A176-Q179 PolarHBondContact O-N 2.85Å; A176-G180 PolarHBondContact O-N 3.02Å; A176-G180 VanDerWaalsContact O-N 3.1Å |
| 177 | I | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.9 | -54.3 | -179.7 | -70 | 173.2 | 0 | 0 | 0 | 110.6 | I154 I173 L174 Q179 G180 M181 A194 A197 L198 | I154-I177 HydrophobicContact CG2-CD1 3.9Å; I154-I177 HydrophobicContact CG2-CG1 4.02Å; I173-I177 HydrophobicContact CG2-CD1 3.57Å; I173-I177 HydrophobicContact CG2-CG1 4.35Å; I173-I177 WeakPolarHBondContact O-CG1 3.48Å; I173-I177 PolarHBondContact O-N 3.23Å; L174-I177 PolarHBondContact O-N 3.3Å; I177-Q179 VanDerWaalsContact C-N 3.26Å; I177-Q179 PolarHBondContact O-N 2.82Å; I177-G180 PolarHBondContact O-N 3.25Å; I177-M181 HydrophobicContact CG2-SD 3.92Å; I177-M181 WeakPolarHBondContact O-CG 3.42Å; I177-M181 PolarHBondContact O-N 3.49Å; I177-A194 WeakPolarHBondContact CG2-O 3.27Å; I177-A197 HydrophobicContact CD1-CB 4.1Å; I177-A197 HydrophobicContact CG1-CB 4.07Å; I177-L198 HydrophobicContact CG2-CB 3.62Å; I177-L198 HydrophobicContact CG2-CD1 3.95Å; I177-L198 HydrophobicContact CG2-CG 4.32Å |
| 178 | I | 96.1 | Very high | 94.7 | Very high | 10 Ų | 10 | 53.8 Ų | 53.8 | 5% | 0.051 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.1 | -34.7 | -177 | -61.2 | 166.7 | 0 | 0 | 0 | 110.7 | L174 G180 M181 R182 F217 I218 V221 | L174-I178 HydrophobicContact CB-CD1 4.19Å; L174-I178 VanDerWaalsContact O-CB 3.27Å; L174-I178 WeakPolarHBondContact O-CB 3.42Å; L174-I178 WeakPolarHBondContact O-CD1 3.24Å; L174-I178 WeakPolarHBondContact O-CG1 3.49Å; L174-I178 PolarHBondContact O-N 2.67Å; I178-G180 VanDerWaalsContact C-N 3.33Å; I178-G180 PolarHBondContact O-N 3.04Å; I178-M181 PolarHBondContact O-N 2.87Å; I178-R182 WeakPolarHBondContact O-CG 3.43Å; I178-R182 PolarHBondContact O-N 3.39Å; I178-F217 HydrophobicContact CB-CE1 4.15Å; I178-F217 HydrophobicContact CD1-CD1 3.96Å; I178-F217 HydrophobicContact CD1-CE1 4.09Å; I178-F217 HydrophobicContact CG2-CD1 3.96Å; I178-F217 HydrophobicContact CG2-CE1 3.29Å; I178-F217 HydrophobicContact CG2-CE2 4.46Å; I178-F217 HydrophobicContact CG2-CZ 3.58Å; I178-I218 HydrophobicContact CD1-CG1 3.75Å; I178-V221 HydrophobicContact CG2-CB 4.14Å; I178-V221 HydrophobicContact CG2-CG1 4.11Å; I178-V221 HydrophobicContact CG2-CG2 3.74Å |
| 179 | Q | 94.9 | Very high | 95.1 | Very high | 52 Ų | 52 | 46.5 Ų | 46.5 | 24% | 0.243 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.9 | -40.4 | 173.5 | -179.7 | 63.4 | 38.2 | 0 | 0 | 112.3 | T138 T175 A176 I177 R182 | T138-Q179 HydrophobicContact CG2-CB 4.37Å; T138-Q179 HydrophobicContact CG2-CG 4.24Å; T175-Q179 WeakPolarHBondContact O-CB 3.48Å; T175-Q179 PolarHBondContact O-N 3.27Å; T175-Q179 VanDerWaalsContact O-N 3.13Å; A176-Q179 WeakPolarHBondContact O-CB 3.45Å; A176-Q179 PolarHBondContact O-N 2.85Å; I177-Q179 VanDerWaalsContact C-N 3.26Å; I177-Q179 PolarHBondContact O-N 2.82Å; Q179-R182 VanDerWaalsContact OE1-NH1 3.16Å |
| 180 | G | 96.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.5 | -27.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | A176 I177 I178 K191 | A176-G180 PolarHBondContact O-N 3.02Å; A176-G180 VanDerWaalsContact O-N 3.1Å; I177-G180 PolarHBondContact O-N 3.25Å; I178-G180 VanDerWaalsContact C-N 3.33Å; I178-G180 PolarHBondContact O-N 3.04Å; G180-K191 WeakPolarHBondContact O-CG 3.34Å |
| 181 | M | 97.8 | Very high | 95.7 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.025 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -82.6 | -14.4 | 180 | -68.3 | 179 | 67.1 | 0 | 0 | 114.4 | I177 I178 A194 T195 L198 V221 V222 A225 | I177-M181 HydrophobicContact CG2-SD 3.92Å; I177-M181 WeakPolarHBondContact O-CG 3.42Å; I177-M181 PolarHBondContact O-N 3.49Å; I178-M181 PolarHBondContact O-N 2.87Å; M181-A194 HydrophobicContact CB-CB 4.49Å; M181-A194 HydrophobicContact CG-CB 3.53Å; M181-T195 HydrophobicContact CE-CG2 3.94Å; M181-L198 HydrophobicContact CE-CD2 3.79Å; M181-L198 HydrophobicContact SD-CB 3.88Å; M181-L198 HydrophobicContact SD-CD2 3.65Å; M181-L198 HydrophobicContact SD-CG 4.32Å; M181-V221 HydrophobicContact CB-CG1 3.48Å; M181-V221 VanDerWaalsContact CB-CG1 3.48Å; M181-V221 HydrophobicContact CE-CG1 4.36Å; M181-V222 HydrophobicContact CE-CG2 4.07Å; M181-A225 HydrophobicContact CE-CB 4.31Å |
| 182 | R | 94.8 | Very high | 96 | Very high | 90 Ų | 90 | 43.6 Ų | 43.6 | 34% | 0.34 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -54.8 | 145.7 | -173.5 | -64.9 | -168.1 | -177.8 | 177.2 | 5.4 | 112.4 | I178 Q179 E184 E185 K191 | I178-R182 WeakPolarHBondContact O-CG 3.43Å; I178-R182 PolarHBondContact O-N 3.39Å; Q179-R182 VanDerWaalsContact OE1-NH1 3.16Å; R182-E184 WeakPolarHBondContact CB-OE2 3.34Å; R182-E184 PolarHBondContact O-N 2.96Å; R182-E184 VanDerWaalsContact O-N 3.13Å; R182-E185 WeakPolarHBondContact O-CB 3.43Å; R182-E185 PolarHBondContact O-N 3.3Å; R182-K191 WeakPolarHBondContact O-CE 3.11Å |
| 183 | K | 94.4 | Very high | 96.2 | Very high | 151 Ų | 151 | 40 Ų | 40 | 66% | 0.657 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | -35.4 | 177 | -175 | 174.8 | -179.5 | 172.9 | 0 | 112.6 | E185 K191 | K183-E185 VanDerWaalsContact C-N 3.29Å; K183-E185 PolarHBondContact O-N 3.31Å; K183-K191 PolarHBondContact O-NZ 2.93Å |
| 184 | E | 94.9 | Very high | 96.4 | Very high | 143 Ų | 143 | 39.8 Ų | 39.8 | 67% | 0.668 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -15.4 | -179.6 | -59.7 | 72.5 | -151.7 | 0 | 0 | 114.2 | R182 P186 | R182-E184 WeakPolarHBondContact CB-OE2 3.34Å; R182-E184 PolarHBondContact O-N 2.96Å; R182-E184 VanDerWaalsContact O-N 3.13Å; E184-P186 VanDerWaalsContact O-CD 3.26Å; E184-P186 WeakPolarHBondContact O-CD 3.26Å |
| 185 | E | 96.6 | Very high | 96.6 | Very high | 20 Ų | 20 | 39.5 Ų | 39.5 | 9% | 0.093 | 20% | 0.201 | C | C | . | . | trans | -64.5 | 121.3 | 178.2 | 174.5 | 53.1 | -128.8 | 0 | 0 | 110.2 | K147 R182 K183 S187 V190 K191 | K147-E185 IonicContact NZ-OE1 2.87Å; K147-E185 IonicContact NZ-OE2 3.88Å; K147-E185 PolarHBondContact NZ-OE2 2.97Å; R182-E185 WeakPolarHBondContact O-CB 3.43Å; R182-E185 PolarHBondContact O-N 3.3Å; K183-E185 VanDerWaalsContact C-N 3.29Å; K183-E185 PolarHBondContact O-N 3.31Å; E185-S187 PolarHBondContact OE1-N 3.5Å; E185-V190 HydrophobicContact CG-CB 4.01Å; E185-V190 HydrophobicContact CG-CG1 3.73Å; E185-K191 HydrophobicContact CB-CG 4.23Å; E185-K191 HydrophobicContact CG-CG 4.23Å; E185-K191 WeakPolarHBondContact O-CE 3.49Å; E185-K191 PolarHBondContact O-NZ 3.07Å | ||
| 186 | P | 95.3 | Very high | 96.8 | Very high | 115 Ų | 115 | 38.8 Ų | 38.8 | 75% | 0.747 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -67.8 | -34.8 | -174.1 | -25.5 | 35.9 | 0 | 0 | 0 | 114.9 | E184 | E184-P186 VanDerWaalsContact O-CD 3.26Å; E184-P186 WeakPolarHBondContact O-CD 3.26Å |
| 187 | S | 96.8 | Very high | 96.8 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 9% | 0.091 | 20% | 0.195 | C | C | . | . | trans | -89.4 | 124.2 | -176.2 | 174.6 | 0 | 0 | 0 | 0 | 112.2 | E144 E185 N189 V190 K191 | E144-S187 WeakPolarHBondContact CG-OG 3.39Å; E144-S187 PolarHBondContact OE1-OG 2.94Å; E185-S187 PolarHBondContact OE1-N 3.5Å; S187-N189 PolarHBondContact O-N 3.06Å; S187-N189 PolarHBondContact OG-N 3.36Å; S187-N189 VanDerWaalsContact OG-N 3.09Å; S187-V190 PolarHBondContact O-N 2.95Å; S187-V190 PolarHBondContact OG-N 3.4Å; S187-K191 PolarHBondContact O-N 3.43Å; S187-K191 VanDerWaalsContact O-N 3.11Å | ||
| 188 | N | 97.2 | Very high | 96.8 | Very high | 52 Ų | 52 | 38.9 Ų | 38.9 | 28% | 0.278 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.5 | -24.7 | 171.1 | -65.5 | -26.3 | 0 | 0 | 0 | 112.5 | L192 D230 | N188-L192 WeakPolarHBondContact O-CB 3.49Å; N188-L192 PolarHBondContact O-N 2.93Å; N188-D230 HydrophobicContact CB-CB 3.95Å; N188-D230 VanDerWaalsContact CB-OD2 3.3Å; N188-D230 WeakPolarHBondContact CB-OD2 3.44Å; N188-D230 PolarHBondContact ND2-OD2 3.49Å |
| 189 | N | 95.8 | Very high | 96.9 | Very high | 35 Ų | 35 | 40 Ų | 40 | 19% | 0.187 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -72.4 | -39 | 176.9 | -56.6 | -49.6 | 0 | 0 | 0 | 111.1 | R105 E144 E148 S187 L192 A193 R232 | R105-N189 PolarHBondContact NH1-ND2 3.5Å; R105-N189 VanDerWaalsContact NH1-ND2 3.15Å; R105-N189 PolarHBondContact NH1-OD1 3.33Å; E144-N189 PolarHBondContact OE1-ND2 2.87Å; E148-N189 WeakPolarHBondContact OE1-CB 3.48Å; S187-N189 PolarHBondContact O-N 3.06Å; S187-N189 PolarHBondContact OG-N 3.36Å; S187-N189 VanDerWaalsContact OG-N 3.09Å; N189-L192 PolarHBondContact O-N 3.39Å; N189-A193 WeakPolarHBondContact O-CB 3.44Å; N189-A193 PolarHBondContact O-N 3.13Å; N189-R232 PolarHBondContact OD1-NH1 2.93Å; N189-R232 PolarHBondContact OD1-NH2 3.45Å; N189-R232 VanDerWaalsContact OD1-NH2 3.11Å |
| 190 | V | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.6 | -46.1 | 171.9 | 174.5 | 0 | 0 | 0 | 0 | 110.3 | E144 K147 E148 L151 E185 S187 L192 A193 A194 | E144-V190 HydrophobicContact CG-CG2 4.02Å; K147-V190 HydrophobicContact CB-CG1 3.87Å; K147-V190 HydrophobicContact CB-CG2 3.81Å; K147-V190 HydrophobicContact CD-CG1 4.16Å; K147-V190 HydrophobicContact CD-CG2 4.49Å; E148-V190 HydrophobicContact CB-CG2 4.27Å; L151-V190 HydrophobicContact CD1-CG1 3.67Å; E185-V190 HydrophobicContact CG-CB 4.01Å; E185-V190 HydrophobicContact CG-CG1 3.73Å; S187-V190 PolarHBondContact O-N 2.95Å; S187-V190 PolarHBondContact OG-N 3.4Å; V190-L192 PolarHBondContact O-N 2.98Å; V190-A193 PolarHBondContact O-N 3.18Å; V190-A194 WeakPolarHBondContact O-CB 3.19Å; V190-A194 PolarHBondContact O-N 3.08Å |
| 191 | K | 98.4 | Very high | 96.9 | Very high | 22 Ų | 22 | 39.3 Ų | 39.3 | 10% | 0.096 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.9 | -47.6 | 174.3 | -75.5 | 170.8 | 165.6 | 155.3 | 0 | 111.9 | G180 R182 K183 E185 S187 A194 T195 V233 | G180-K191 WeakPolarHBondContact O-CG 3.34Å; R182-K191 WeakPolarHBondContact O-CE 3.11Å; K183-K191 PolarHBondContact O-NZ 2.93Å; E185-K191 HydrophobicContact CB-CG 4.23Å; E185-K191 HydrophobicContact CG-CG 4.23Å; E185-K191 WeakPolarHBondContact O-CE 3.49Å; E185-K191 PolarHBondContact O-NZ 3.07Å; S187-K191 PolarHBondContact O-N 3.43Å; S187-K191 VanDerWaalsContact O-N 3.11Å; K191-A194 PolarHBondContact O-N 3.29Å; K191-T195 WeakPolarHBondContact O-CB 3.41Å; K191-T195 PolarHBondContact O-N 3.36Å; K191-T195 PolarHBondContact O-OG1 2.9Å; K191-V233 HydrophobicContact CB-CG1 4.2Å; K191-V233 HydrophobicContact CB-CG2 3.96Å |
| 192 | L | 97.9 | Very high | 96.7 | Very high | 32 Ų | 32 | 39 Ų | 39 | 17% | 0.168 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.5 | -49.2 | 179.3 | 179.6 | 60.6 | 0 | 0 | 0 | 111.9 | N188 N189 V190 A194 T195 N196 R232 V233 A236 | N188-L192 WeakPolarHBondContact O-CB 3.49Å; N188-L192 PolarHBondContact O-N 2.93Å; N189-L192 PolarHBondContact O-N 3.39Å; V190-L192 PolarHBondContact O-N 2.98Å; L192-A194 VanDerWaalsContact C-N 3.29Å; L192-A194 PolarHBondContact O-N 3.03Å; L192-T195 PolarHBondContact O-N 3.15Å; L192-N196 WeakPolarHBondContact O-CB 3.31Å; L192-N196 PolarHBondContact O-N 3.34Å; L192-R232 HydrophobicContact CD1-CB 3.87Å; L192-R232 WeakPolarHBondContact CD1-O 3.49Å; L192-R232 HydrophobicContact CD2-CB 3.83Å; L192-R232 HydrophobicContact CG-CB 4.45Å; L192-V233 HydrophobicContact CB-CG2 4.08Å; L192-A236 HydrophobicContact CD1-CB 4.05Å |
| 193 | A | 97.6 | Very high | 96.5 | Very high | 10 Ų | 10 | 39.7 Ų | 39.7 | 8% | 0.083 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.2 | -40.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E148 L151 E152 N189 V190 A197 | E148-A193 HydrophobicContact CG-CB 4.4Å; L151-A193 HydrophobicContact CB-CB 3.81Å; L151-A193 HydrophobicContact CD1-CB 4.49Å; E152-A193 HydrophobicContact CG-CB 4.36Å; N189-A193 WeakPolarHBondContact O-CB 3.44Å; N189-A193 PolarHBondContact O-N 3.13Å; V190-A193 PolarHBondContact O-N 3.18Å; A193-A197 WeakPolarHBondContact O-CB 3.47Å; A193-A197 PolarHBondContact O-N 3.48Å |
| 194 | A | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.3 | -46.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L151 I177 M181 V190 K191 L192 N196 A197 L198 | L151-A194 HydrophobicContact CD1-CB 3.79Å; L151-A194 HydrophobicContact CD2-CB 3.89Å; L151-A194 HydrophobicContact CG-CB 4.37Å; I177-A194 WeakPolarHBondContact CG2-O 3.27Å; M181-A194 HydrophobicContact CB-CB 4.49Å; M181-A194 HydrophobicContact CG-CB 3.53Å; V190-A194 WeakPolarHBondContact O-CB 3.19Å; V190-A194 PolarHBondContact O-N 3.08Å; K191-A194 PolarHBondContact O-N 3.29Å; L192-A194 VanDerWaalsContact C-N 3.29Å; L192-A194 PolarHBondContact O-N 3.03Å; A194-N196 VanDerWaalsContact C-N 3.33Å; A194-N196 PolarHBondContact O-N 2.9Å; A194-A197 PolarHBondContact O-N 3.24Å; A194-L198 PolarHBondContact O-N 2.95Å |
| 195 | T | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.8 | -38.3 | 179.3 | -54.5 | 0 | 0 | 0 | 0 | 111.9 | M181 K191 L192 L198 L199 A236 A237 N240 | M181-T195 HydrophobicContact CE-CG2 3.94Å; K191-T195 WeakPolarHBondContact O-CB 3.41Å; K191-T195 PolarHBondContact O-N 3.36Å; K191-T195 PolarHBondContact O-OG1 2.9Å; L192-T195 PolarHBondContact O-N 3.15Å; T195-L198 WeakPolarHBondContact O-CB 3.48Å; T195-L198 PolarHBondContact O-N 3.06Å; T195-L199 PolarHBondContact O-N 3.09Å; T195-A236 VanDerWaalsContact CG2-C 3.41Å; T195-A236 HydrophobicContact CG2-CB 3.57Å; T195-A237 HydrophobicContact CG2-CB 4.13Å; T195-N240 WeakPolarHBondContact CG2-ND2 3.39Å; T195-N240 PolarHBondContact O-ND2 3.26Å |
| 196 | N | 98 | Very high | 95.9 | Very high | 64 Ų | 64 | 33.1 Ų | 33.1 | 34% | 0.342 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -67.2 | -40.4 | 173.3 | -70.1 | -13.6 | 0 | 0 | 0 | 111.7 | L192 A194 L198 L199 N200 A236 | L192-N196 WeakPolarHBondContact O-CB 3.31Å; L192-N196 PolarHBondContact O-N 3.34Å; A194-N196 VanDerWaalsContact C-N 3.33Å; A194-N196 PolarHBondContact O-N 2.9Å; N196-L198 VanDerWaalsContact C-N 3.28Å; N196-L198 PolarHBondContact O-N 2.96Å; N196-L199 WeakPolarHBondContact O-CB 3.26Å; N196-L199 PolarHBondContact O-N 3.12Å; N196-N200 PolarHBondContact O-N 2.78Å; N196-A236 VanDerWaalsContact OD1-CB 3.3Å; N196-A236 WeakPolarHBondContact OD1-CB 3.34Å |
| 197 | A | 97.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.8 | -34.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I154 I177 A193 A194 N200 S201 | I154-A197 HydrophobicContact CG2-CB 4.3Å; I177-A197 HydrophobicContact CD1-CB 4.1Å; I177-A197 HydrophobicContact CG1-CB 4.07Å; A193-A197 WeakPolarHBondContact O-CB 3.47Å; A193-A197 PolarHBondContact O-N 3.48Å; A194-A197 PolarHBondContact O-N 3.24Å; A197-N200 PolarHBondContact O-N 3.39Å; A197-S201 WeakPolarHBondContact O-CB 3.43Å; A197-S201 PolarHBondContact O-N 2.87Å; A197-S201 VanDerWaalsContact O-N 3.15Å; A197-S201 PolarHBondContact O-OG 2.72Å |
| 198 | L | 98.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60 | -48.5 | 173.3 | -174.4 | 64.4 | 0 | 0 | 0 | 110.6 | L174 I177 M181 A194 T195 N196 N200 S201 L202 V222 N240 | L174-L198 HydrophobicContact CD2-CD1 3.75Å; I177-L198 HydrophobicContact CG2-CB 3.62Å; I177-L198 HydrophobicContact CG2-CD1 3.95Å; I177-L198 HydrophobicContact CG2-CG 4.32Å; M181-L198 HydrophobicContact CE-CD2 3.79Å; M181-L198 HydrophobicContact SD-CB 3.88Å; M181-L198 HydrophobicContact SD-CD2 3.65Å; M181-L198 HydrophobicContact SD-CG 4.32Å; A194-L198 PolarHBondContact O-N 2.95Å; T195-L198 WeakPolarHBondContact O-CB 3.48Å; T195-L198 PolarHBondContact O-N 3.06Å; N196-L198 VanDerWaalsContact C-N 3.28Å; N196-L198 PolarHBondContact O-N 2.96Å; L198-N200 PolarHBondContact O-N 3.28Å; L198-S201 WeakPolarHBondContact CA-OG 3.49Å; L198-S201 WeakPolarHBondContact O-CA 3.35Å; L198-S201 PolarHBondContact O-N 3.45Å; L198-S201 PolarHBondContact O-OG 3.48Å; L198-L202 HydrophobicContact CD1-CD2 4.32Å; L198-L202 HydrophobicContact CG-CD2 4.35Å; L198-L202 WeakPolarHBondContact O-CG 3.45Å; L198-L202 PolarHBondContact O-N 2.82Å; L198-V222 HydrophobicContact CD2-CG2 3.41Å; L198-V222 VanDerWaalsContact CD2-CG2 3.41Å; L198-N240 WeakPolarHBondContact CB-OD1 3.42Å; L198-N240 WeakPolarHBondContact CD2-OD1 3.5Å; L198-N240 WeakPolarHBondContact CG-OD1 3.42Å |
| 199 | L | 97.3 | Very high | 95.6 | Very high | 33 Ų | 33 | 26.8 Ų | 26.8 | 17% | 0.173 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.1 | -42.6 | -177.7 | -174 | 66.8 | 0 | 0 | 0 | 111.9 | T195 N196 S201 Q239 N240 K243 | T195-L199 PolarHBondContact O-N 3.09Å; N196-L199 WeakPolarHBondContact O-CB 3.26Å; N196-L199 PolarHBondContact O-N 3.12Å; L199-S201 VanDerWaalsContact C-N 3.31Å; L199-S201 PolarHBondContact O-N 3.32Å; L199-Q239 HydrophobicContact CD1-CB 4.33Å; L199-Q239 HydrophobicContact CD2-CB 4.23Å; L199-N240 VanDerWaalsContact CA-OD1 3.3Å; L199-N240 WeakPolarHBondContact CA-OD1 3.46Å; L199-N240 PolarHBondContact N-OD1 3.12Å; L199-K243 HydrophobicContact CD1-CB 3.8Å; L199-K243 HydrophobicContact CD1-CD 3.75Å; L199-K243 HydrophobicContact CD1-CG 4.39Å; L199-K243 HydrophobicContact CG-CD 4.35Å; L199-K243 WeakPolarHBondContact O-CD 3.4Å; L199-K243 PolarHBondContact O-NZ 3.05Å |
| 200 | N | 94.8 | Very high | 95.6 | Very high | 38 Ų | 38 | 29 Ų | 29 | 20% | 0.203 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -73.4 | -21.7 | 177.4 | -65 | -11.2 | 0 | 0 | 0 | 112.9 | G155 C158 Q159 N196 A197 L198 | G155-N200 PolarHBondContact O-ND2 3.25Å; C158-N200 HydrophobicContact CB-CB 3.72Å; Q159-N200 HydrophobicContact CB-CB 4.41Å; N196-N200 PolarHBondContact O-N 2.78Å; A197-N200 PolarHBondContact O-N 3.39Å; L198-N200 PolarHBondContact O-N 3.28Å |
| 201 | S | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -89.1 | -14.3 | -177.9 | 71.6 | 0 | 0 | 0 | 0 | 114.7 | A197 L198 L199 E203 F204 T205 | A197-S201 WeakPolarHBondContact O-CB 3.43Å; A197-S201 PolarHBondContact O-N 2.87Å; A197-S201 VanDerWaalsContact O-N 3.15Å; A197-S201 PolarHBondContact O-OG 2.72Å; L198-S201 WeakPolarHBondContact CA-OG 3.49Å; L198-S201 WeakPolarHBondContact O-CA 3.35Å; L198-S201 PolarHBondContact O-N 3.45Å; L198-S201 PolarHBondContact O-OG 3.48Å; L199-S201 VanDerWaalsContact C-N 3.31Å; L199-S201 PolarHBondContact O-N 3.32Å; S201-E203 PolarHBondContact O-N 3.22Å; S201-E203 VanDerWaalsContact O-N 3.11Å; S201-F204 VanDerWaalsContact CB-CZ 3.49Å; S201-F204 PolarHBondContact O-N 3.3Å; S201-T205 WeakPolarHBondContact O-CG2 3.48Å |
| 202 | L | 94.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -60.1 | -28.9 | -168.6 | -73.3 | 171.2 | 0 | 0 | 0 | 113.7 | L198 F204 T205 F209 K243 I244 L247 Y248 | L198-L202 HydrophobicContact CD1-CD2 4.32Å; L198-L202 HydrophobicContact CG-CD2 4.35Å; L198-L202 WeakPolarHBondContact O-CG 3.45Å; L198-L202 PolarHBondContact O-N 2.82Å; L202-F204 PolarHBondContact O-N 2.93Å; L202-T205 WeakPolarHBondContact CA-OG1 3.19Å; L202-T205 PolarHBondContact O-N 3.14Å; L202-T205 PolarHBondContact O-OG1 3.09Å; L202-F209 HydrophobicContact CD2-CE2 4.02Å; L202-F209 HydrophobicContact CD2-CZ 4.32Å; L202-K243 HydrophobicContact CB-CD 4.43Å; L202-K243 HydrophobicContact CD1-CB 3.88Å; L202-K243 HydrophobicContact CD1-CD 4.09Å; L202-K243 HydrophobicContact CD1-CG 3.89Å; L202-I244 HydrophobicContact CD1-CD1 4.48Å; L202-I244 HydrophobicContact CD1-CG1 3.75Å; L202-I244 HydrophobicContact CD2-CD1 4.25Å; L202-I244 HydrophobicContact CD2-CG1 3.82Å; L202-I244 HydrophobicContact CG-CG1 4.45Å; L202-L247 HydrophobicContact CB-CD1 3.82Å; L202-Y248 HydrophobicContact CD2-CE2 4.49Å; L202-Y248 PolarHBondContact O-OH 3Å |
| 203 | E | 89.9 | Confident | 95.3 | Very high | 103 Ų | 103 | 42.4 Ų | 42.4 | 48% | 0.481 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -63.5 | -33.7 | -176.4 | -73.1 | 165 | -147.6 | 0 | 0 | 113.8 | P163 S201 K243 L247 | P163-E203 HydrophobicContact CB-CB 4.13Å; P163-E203 HydrophobicContact CG-CB 3.91Å; P163-E203 WeakPolarHBondContact CG-OE2 3.28Å; S201-E203 PolarHBondContact O-N 3.22Å; S201-E203 VanDerWaalsContact O-N 3.11Å; E203-K243 WeakPolarHBondContact OE1-CE 3.24Å; E203-K243 IonicContact OE1-NZ 2.83Å; E203-K243 PolarHBondContact OE1-NZ 3.33Å; E203-L247 HydrophobicContact CG-CD1 4.41Å |
| 204 | F | 90.4 | Very high | 95.2 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.035 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -103.1 | 12.8 | 179.9 | 54.5 | -98.2 | 0 | 0 | 0 | 113.9 | C158 P163 L166 A170 I173 S201 L202 | C158-F204 HydrophobicContact CB-CE1 4.01Å; C158-F204 HydrophobicContact CB-CZ 4.15Å; P163-F204 HydrophobicContact CB-CB 3.86Å; P163-F204 HydrophobicContact CB-CD1 3.99Å; P163-F204 HydrophobicContact CB-CG 4.43Å; P163-F204 WeakPolarHBondContact O-CB 3.37Å; L166-F204 HydrophobicContact CB-CD1 4.13Å; L166-F204 HydrophobicContact CB-CD2 4.12Å; L166-F204 HydrophobicContact CB-CE1 4.12Å; L166-F204 HydrophobicContact CB-CE2 4.13Å; L166-F204 HydrophobicContact CB-CG 4.1Å; L166-F204 HydrophobicContact CB-CZ 4.12Å; L166-F204 HydrophobicContact CD1-CD1 4.25Å; L166-F204 HydrophobicContact CD1-CE1 3.63Å; L166-F204 HydrophobicContact CD1-CZ 3.88Å; A170-F204 HydrophobicContact CB-CD2 3.95Å; A170-F204 HydrophobicContact CB-CE2 4.32Å; I173-F204 HydrophobicContact CD1-CE2 4.28Å; I173-F204 HydrophobicContact CD1-CZ 4.4Å; I173-F204 HydrophobicContact CG2-CE2 4.5Å; S201-F204 VanDerWaalsContact CB-CZ 3.49Å; S201-F204 PolarHBondContact O-N 3.3Å; L202-F204 PolarHBondContact O-N 2.93Å |
| 205 | T | 92.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -99.9 | 14 | -176 | 61.6 | 0 | 0 | 0 | 0 | 114 | L174 S201 L202 A207 N208 F209 Y248 | L174-T205 HydrophobicContact CD1-CG2 3.73Å; L174-T205 HydrophobicContact CD2-CG2 3.86Å; L174-T205 HydrophobicContact CG-CG2 3.89Å; S201-T205 WeakPolarHBondContact O-CG2 3.48Å; L202-T205 WeakPolarHBondContact CA-OG1 3.19Å; L202-T205 PolarHBondContact O-N 3.14Å; L202-T205 PolarHBondContact O-OG1 3.09Å; T205-A207 VanDerWaalsContact C-N 3.34Å; T205-A207 PolarHBondContact O-N 3.02Å; T205-N208 WeakPolarHBondContact O-CA 3.39Å; T205-N208 VanDerWaalsContact O-CB 3.28Å; T205-N208 WeakPolarHBondContact O-CB 3.4Å; T205-N208 PolarHBondContact O-N 3.45Å; T205-F209 PolarHBondContact O-N 3.29Å; T205-Y248 PolarHBondContact OG1-OH 2.73Å | ||
| 206 | R | 91.1 | Very high | 95 | Very high | 168 Ų | 168 | 50.6 Ų | 50.6 | 63% | 0.634 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -52.5 | -48.3 | -179.9 | -171.1 | 173.7 | -171.4 | 165.5 | 5.6 | 112.9 | N208 F209 D210 Y248 | R206-N208 PolarHBondContact O-N 3.39Å; R206-N208 VanDerWaalsContact O-N 3.12Å; R206-F209 PolarHBondContact O-N 2.87Å; R206-D210 PolarHBondContact O-N 3.16Å; R206-Y248 HydrophobicContact CB-CE1 4.39Å; R206-Y248 HydrophobicContact CG-CE1 4.49Å; R206-Y248 PolarHBondContact N-OH 3.2Å |
| 207 | A | 92.6 | Very high | 94.9 | Very high | 43 Ų | 43 | 51.4 Ų | 51.4 | 36% | 0.355 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62 | -23.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T205 | T205-A207 VanDerWaalsContact C-N 3.34Å; T205-A207 PolarHBondContact O-N 3.02Å |
| 208 | N | 94.3 | Very high | 94.8 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.027 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -81.3 | -42.5 | 174 | -60.6 | 92.6 | 0 | 0 | 0 | 111.3 | N171 L174 T205 R206 D210 K211 E214 I218 | N171-N208 PolarHBondContact OD1-ND2 3.45Å; L174-N208 HydrophobicContact CD1-CB 3.76Å; T205-N208 WeakPolarHBondContact O-CA 3.39Å; T205-N208 VanDerWaalsContact O-CB 3.28Å; T205-N208 WeakPolarHBondContact O-CB 3.4Å; T205-N208 PolarHBondContact O-N 3.45Å; R206-N208 PolarHBondContact O-N 3.39Å; R206-N208 VanDerWaalsContact O-N 3.12Å; N208-D210 VanDerWaalsContact C-N 3.29Å; N208-D210 PolarHBondContact O-N 3.45Å; N208-K211 PolarHBondContact O-N 2.83Å; N208-K211 VanDerWaalsContact O-N 3.15Å; N208-E214 WeakPolarHBondContact CA-OE2 3.45Å; N208-E214 WeakPolarHBondContact CB-OE2 3.42Å; N208-E214 PolarHBondContact ND2-OE2 2.95Å; N208-I218 HydrophobicContact CB-CD1 4.41Å |
| 209 | F | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.4 | -29.6 | 176.6 | -91.4 | -97.1 | 0 | 0 | 0 | 113.2 | L202 T205 R206 K211 R215 I218 M219 I244 Y248 Y251 M252 | L202-F209 HydrophobicContact CD2-CE2 4.02Å; L202-F209 HydrophobicContact CD2-CZ 4.32Å; T205-F209 PolarHBondContact O-N 3.29Å; R206-F209 PolarHBondContact O-N 2.87Å; F209-K211 PolarHBondContact O-N 2.98Å; F209-R215 HydrophobicContact CD1-CG 3.78Å; F209-R215 HydrophobicContact CE1-CG 4.18Å; F209-R215 WeakPolarHBondContact O-CD 3.43Å; F209-R215 PolarHBondContact O-NH1 3.44Å; F209-I218 HydrophobicContact CD2-CD1 4.18Å; F209-I218 HydrophobicContact CE2-CD1 3.83Å; F209-I218 HydrophobicContact CE2-CG2 4.13Å; F209-I218 HydrophobicContact CZ-CD1 4.42Å; F209-I218 HydrophobicContact CZ-CG2 3.83Å; F209-M219 HydrophobicContact CE1-SD 4.22Å; F209-I244 HydrophobicContact CE1-CG2 3.95Å; F209-I244 HydrophobicContact CZ-CD1 4.08Å; F209-I244 HydrophobicContact CZ-CG1 3.98Å; F209-I244 HydrophobicContact CZ-CG2 4.24Å; F209-Y248 HydrophobicContact CB-CD1 3.79Å; F209-Y248 HydrophobicContact CB-CE1 3.71Å; F209-Y248 HydrophobicContact CB-CG 4.28Å; F209-Y248 HydrophobicContact CD1-CD1 4.04Å; F209-Y248 AromaticContact CD1-CD2 3.69Å; F209-Y248 HydrophobicContact CD1-CD2 3.69Å; F209-Y248 HydrophobicContact CD1-CE1 4.45Å; F209-Y248 HydrophobicContact CD1-CE2 4.15Å; F209-Y248 AromaticContact CD1-CG 3.62Å; F209-Y248 HydrophobicContact CD1-CG 3.62Å; F209-Y248 HydrophobicContact CD2-CD2 4Å; F209-Y248 HydrophobicContact CD2-CE1 4.14Å; F209-Y248 AromaticContact CD2-CE2 3.59Å; F209-Y248 HydrophobicContact CD2-CE2 3.59Å; F209-Y248 HydrophobicContact CD2-CG 4.45Å; F209-Y248 AromaticContact CD2-CZ 3.66Å; F209-Y248 AromaticContact CE1-CD2 3.69Å; F209-Y248 HydrophobicContact CE1-CD2 3.69Å; F209-Y248 HydrophobicContact CE1-CE2 4.22Å; F209-Y248 HydrophobicContact CE1-CG 4.03Å; F209-Y248 AromaticContact CE2-CD2 3.99Å; F209-Y248 HydrophobicContact CE2-CD2 3.99Å; F209-Y248 AromaticContact CE2-CE2 3.65Å; F209-Y248 HydrophobicContact CE2-CE2 3.65Å; F209-Y248 AromaticContact CG-CD1 3.87Å; F209-Y248 HydrophobicContact CG-CD1 3.87Å; F209-Y248 AromaticContact CG-CD2 3.86Å; F209-Y248 HydrophobicContact CG-CD2 3.86Å; F209-Y248 AromaticContact CG-CE1 3.86Å; F209-Y248 HydrophobicContact CG-CE1 3.86Å; F209-Y248 AromaticContact CG-CE2 3.85Å; F209-Y248 HydrophobicContact CG-CE2 3.85Å; F209-Y248 AromaticContact CG-CG 3.86Å; F209-Y248 HydrophobicContact CG-CG 3.86Å; F209-Y248 AromaticContact CG-CZ 3.84Å; F209-Y248 AromaticContact CZ-CD2 3.84Å; F209-Y248 HydrophobicContact CZ-CD2 3.84Å; F209-Y248 AromaticContact CZ-CE2 3.98Å; F209-Y248 HydrophobicContact CZ-CE2 3.98Å; F209-Y251 HydrophobicContact CB-CD2 4.29Å; F209-Y251 HydrophobicContact CB-CE2 4.25Å; F209-M252 HydrophobicContact CE1-CE 4.46Å |
| 210 | D | 95.1 | Very high | 94.8 | Very high | 82 Ų | 82 | 54.1 Ų | 54.1 | 44% | 0.439 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -25.4 | 173.4 | -65.7 | -17.2 | 0 | 0 | 0 | 112.3 | R206 N208 Y251 | R206-D210 PolarHBondContact O-N 3.16Å; N208-D210 VanDerWaalsContact C-N 3.29Å; N208-D210 PolarHBondContact O-N 3.45Å; D210-Y251 PolarHBondContact OD1-OH 3.45Å |
| 211 | K | 96.4 | Very high | 94.9 | Very high | 87 Ų | 87 | 52.7 Ų | 52.7 | 38% | 0.378 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -94.2 | 111 | 177.6 | -61.5 | 172.4 | -165 | 155.4 | 0 | 110.6 | N208 F209 T213 E214 R215 | N208-K211 PolarHBondContact O-N 2.83Å; N208-K211 VanDerWaalsContact O-N 3.15Å; F209-K211 PolarHBondContact O-N 2.98Å; K211-T213 PolarHBondContact O-N 3.22Å; K211-E214 HydrophobicContact CB-CB 4.31Å; K211-E214 HydrophobicContact CB-CG 4.41Å; K211-E214 VanDerWaalsContact CD-CD 3.46Å; K211-E214 HydrophobicContact CD-CG 4.33Å; K211-E214 VanDerWaalsContact CD-OE1 3.23Å; K211-E214 WeakPolarHBondContact CD-OE1 3.39Å; K211-E214 IonicContact NZ-OE1 2.76Å; K211-E214 PolarHBondContact NZ-OE1 2.85Å; K211-E214 IonicContact NZ-OE2 2.75Å; K211-E214 PolarHBondContact NZ-OE2 2.51Å; K211-E214 PolarHBondContact O-N 3.36Å; K211-R215 WeakPolarHBondContact O-CB 3.37Å; K211-R215 PolarHBondContact O-N 3.28Å |
| 212 | E | 95.8 | Very high | 95 | Very high | 134 Ų | 134 | 52.8 Ų | 52.8 | 63% | 0.626 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -50.4 | -39.5 | -177.1 | -177 | 178.8 | 179.1 | 0 | 0 | 114.4 | H216 | E212-H216 VanDerWaalsContact O-CB 3.22Å; E212-H216 WeakPolarHBondContact O-CB 3.29Å; E212-H216 PolarHBondContact O-N 3.24Å |
| 213 | T | 95.3 | Very high | 95.2 | Very high | 113 Ų | 113 | 53.6 Ų | 53.6 | 69% | 0.693 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -66.8 | -41.3 | 179.9 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | K211 F217 | K211-T213 PolarHBondContact O-N 3.22Å; T213-F217 PolarHBondContact O-N 3.05Å |
| 214 | E | 94.9 | Very high | 95.6 | Very high | 57 Ų | 57 | 52.1 Ų | 52.1 | 27% | 0.266 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -74.9 | -44.7 | 179.1 | -67.4 | 175.8 | -161.6 | 0 | 0 | 109.8 | N208 K211 H216 F217 I218 | N208-E214 WeakPolarHBondContact CA-OE2 3.45Å; N208-E214 WeakPolarHBondContact CB-OE2 3.42Å; N208-E214 PolarHBondContact ND2-OE2 2.95Å; K211-E214 HydrophobicContact CB-CB 4.31Å; K211-E214 HydrophobicContact CB-CG 4.41Å; K211-E214 VanDerWaalsContact CD-CD 3.46Å; K211-E214 HydrophobicContact CD-CG 4.33Å; K211-E214 VanDerWaalsContact CD-OE1 3.23Å; K211-E214 WeakPolarHBondContact CD-OE1 3.39Å; K211-E214 IonicContact NZ-OE1 2.76Å; K211-E214 PolarHBondContact NZ-OE1 2.85Å; K211-E214 IonicContact NZ-OE2 2.75Å; K211-E214 PolarHBondContact NZ-OE2 2.51Å; K211-E214 PolarHBondContact O-N 3.36Å; E214-H216 PolarHBondContact O-N 2.86Å; E214-F217 WeakPolarHBondContact O-CB 3.3Å; E214-F217 PolarHBondContact O-N 3.42Å; E214-F217 VanDerWaalsContact O-N 3.13Å; E214-I218 WeakPolarHBondContact O-CG1 3.5Å; E214-I218 PolarHBondContact O-N 3.25Å |
| 215 | R | 97 | Very high | 95.9 | Very high | 24 Ų | 24 | 52 Ų | 52 | 9% | 0.091 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -53.4 | -50.1 | 172.2 | -176.6 | -179.8 | 57.9 | -148.7 | -1.2 | 112.4 | F209 K211 F217 I218 M219 Y251 Y255 | F209-R215 HydrophobicContact CD1-CG 3.78Å; F209-R215 HydrophobicContact CE1-CG 4.18Å; F209-R215 WeakPolarHBondContact O-CD 3.43Å; F209-R215 PolarHBondContact O-NH1 3.44Å; K211-R215 WeakPolarHBondContact O-CB 3.37Å; K211-R215 PolarHBondContact O-N 3.28Å; R215-F217 VanDerWaalsContact C-N 3.26Å; R215-F217 PolarHBondContact O-N 3.02Å; R215-I218 PolarHBondContact O-N 2.74Å; R215-M219 HydrophobicContact CG-CG 4.35Å; R215-M219 WeakPolarHBondContact O-CB 3.22Å; R215-M219 VanDerWaalsContact O-CG 3.32Å; R215-M219 WeakPolarHBondContact O-CG 3.35Å; R215-M219 PolarHBondContact O-N 3.03Å; R215-Y251 VanDerWaalsContact NH1-CG 3.33Å; R215-Y255 HydrophobicContact CG-CE2 4.11Å; R215-Y255 PolarHBondContact NE-OH 3.02Å |
| 216 | H | 96.4 | Very high | 96.2 | Very high | 101 Ų | 101 | 52.4 Ų | 52.4 | 47% | 0.468 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.4 | -39.2 | 179.3 | -174.5 | 79.3 | 0 | 0 | 0 | 111.8 | E212 E214 Q220 Y255 | E212-H216 VanDerWaalsContact O-CB 3.22Å; E212-H216 WeakPolarHBondContact O-CB 3.29Å; E212-H216 PolarHBondContact O-N 3.24Å; E214-H216 PolarHBondContact O-N 2.86Å; H216-Q220 VanDerWaalsContact O-CB 3.26Å; H216-Q220 WeakPolarHBondContact O-CB 3.48Å; H216-Q220 PolarHBondContact O-N 2.94Å; H216-Y255 WeakPolarHBondContact CA-OH 3.43Å; H216-Y255 PolarHBondContact N-OH 3.35Å; H216-Y255 AromaticContact ND1-CE1 3.87Å |
| 217 | F | 95.3 | Very high | 96.5 | Very high | 82 Ų | 82 | 49.9 Ų | 49.9 | 36% | 0.36 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.1 | -44.2 | 177.6 | -173.7 | -125.7 | 0 | 0 | 0 | 112.5 | I178 T213 E214 R215 Q220 V221 | I178-F217 HydrophobicContact CB-CE1 4.15Å; I178-F217 HydrophobicContact CD1-CD1 3.96Å; I178-F217 HydrophobicContact CD1-CE1 4.09Å; I178-F217 HydrophobicContact CG2-CD1 3.96Å; I178-F217 HydrophobicContact CG2-CE1 3.29Å; I178-F217 HydrophobicContact CG2-CE2 4.46Å; I178-F217 HydrophobicContact CG2-CZ 3.58Å; T213-F217 PolarHBondContact O-N 3.05Å; E214-F217 WeakPolarHBondContact O-CB 3.3Å; E214-F217 PolarHBondContact O-N 3.42Å; E214-F217 VanDerWaalsContact O-N 3.13Å; R215-F217 VanDerWaalsContact C-N 3.26Å; R215-F217 PolarHBondContact O-N 3.02Å; F217-Q220 PolarHBondContact O-N 3.3Å; F217-V221 HydrophobicContact CD2-CG2 4.42Å; F217-V221 HydrophobicContact CE2-CG2 4.13Å; F217-V221 HydrophobicContact CZ-CG2 4.44Å; F217-V221 WeakPolarHBondContact O-CG2 3.47Å; F217-V221 PolarHBondContact O-N 3.3Å; F217-V221 VanDerWaalsContact O-N 3.12Å |
| 218 | I | 96.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.4 | -53.7 | 174.5 | -65.8 | 164.2 | 0 | 0 | 0 | 109.8 | L174 I178 N208 F209 E214 R215 Q220 V221 V222 | L174-I218 HydrophobicContact CD1-CD1 4.13Å; I178-I218 HydrophobicContact CD1-CG1 3.75Å; N208-I218 HydrophobicContact CB-CD1 4.41Å; F209-I218 HydrophobicContact CD2-CD1 4.18Å; F209-I218 HydrophobicContact CE2-CD1 3.83Å; F209-I218 HydrophobicContact CE2-CG2 4.13Å; F209-I218 HydrophobicContact CZ-CD1 4.42Å; F209-I218 HydrophobicContact CZ-CG2 3.83Å; E214-I218 WeakPolarHBondContact O-CG1 3.5Å; E214-I218 PolarHBondContact O-N 3.25Å; R215-I218 PolarHBondContact O-N 2.74Å; I218-Q220 VanDerWaalsContact C-N 3.31Å; I218-Q220 PolarHBondContact O-N 3.25Å; I218-V221 PolarHBondContact O-N 3.04Å; I218-V221 VanDerWaalsContact O-N 3.17Å; I218-V222 HydrophobicContact CG2-CG2 4.23Å; I218-V222 WeakPolarHBondContact O-CG2 2.95Å; I218-V222 PolarHBondContact O-N 3.03Å |
| 219 | M | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.9 | -40.9 | -177.9 | -69.3 | -53.6 | -66.1 | 0 | 0 | 112.3 | F209 R215 C223 L241 I244 M252 Y255 L260 | F209-M219 HydrophobicContact CE1-SD 4.22Å; R215-M219 HydrophobicContact CG-CG 4.35Å; R215-M219 WeakPolarHBondContact O-CB 3.22Å; R215-M219 VanDerWaalsContact O-CG 3.32Å; R215-M219 WeakPolarHBondContact O-CG 3.35Å; R215-M219 PolarHBondContact O-N 3.03Å; M219-C223 VanDerWaalsContact O-CB 3.27Å; M219-C223 WeakPolarHBondContact O-CB 3.25Å; M219-C223 PolarHBondContact O-N 3.06Å; M219-C223 PolarHBondContact O-SG 2.89Å; M219-L241 HydrophobicContact CE-CD2 4.05Å; M219-I244 HydrophobicContact CE-CG2 4.36Å; M219-I244 HydrophobicContact SD-CD1 4.08Å; M219-I244 HydrophobicContact SD-CG2 3.84Å; M219-M252 HydrophobicContact CE-CE 4.45Å; M219-M252 HydrophobicContact CE-SD 3.97Å; M219-M252 HydrophobicContact SD-CE 4.3Å; M219-Y255 HydrophobicContact CB-CD1 3.83Å; M219-Y255 HydrophobicContact CB-CE1 3.64Å; M219-Y255 HydrophobicContact CB-CG 4.4Å; M219-Y255 HydrophobicContact CE-CD2 4.44Å; M219-Y255 HydrophobicContact CE-CG 4.18Å; M219-Y255 HydrophobicContact CG-CD1 4.06Å; M219-Y255 HydrophobicContact CG-CD2 4.11Å; M219-Y255 HydrophobicContact CG-CE1 3.85Å; M219-Y255 HydrophobicContact CG-CE2 3.92Å; M219-Y255 HydrophobicContact CG-CG 4.19Å; M219-L260 HydrophobicContact CE-CD1 4.21Å; M219-L260 HydrophobicContact CE-CD2 3.86Å; M219-L260 HydrophobicContact CE-CG 4.49Å |
| 220 | Q | 97.2 | Very high | 96.9 | Very high | 88 Ų | 88 | 55 Ų | 55 | 41% | 0.411 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.7 | -50.5 | 176 | -177.2 | -175.6 | -12.9 | 0 | 0 | 111.2 | H216 F217 I218 V222 C223 E224 | H216-Q220 VanDerWaalsContact O-CB 3.26Å; H216-Q220 WeakPolarHBondContact O-CB 3.48Å; H216-Q220 PolarHBondContact O-N 2.94Å; F217-Q220 PolarHBondContact O-N 3.3Å; I218-Q220 VanDerWaalsContact C-N 3.31Å; I218-Q220 PolarHBondContact O-N 3.25Å; Q220-V222 PolarHBondContact O-N 3.44Å; Q220-C223 PolarHBondContact O-N 3.34Å; Q220-E224 HydrophobicContact CG-CG 4.5Å; Q220-E224 WeakPolarHBondContact CG-OE1 3.48Å; Q220-E224 PolarHBondContact NE2-OE1 2.97Å; Q220-E224 WeakPolarHBondContact O-CB 3.49Å; Q220-E224 VanDerWaalsContact O-CG 3.31Å; Q220-E224 WeakPolarHBondContact O-CG 3.33Å; Q220-E224 PolarHBondContact O-N 3.34Å |
| 221 | V | 97.8 | Very high | 97 | Very high | 8 Ų | 8 | 52.9 Ų | 52.9 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.1 | -39.1 | -176.7 | 174.2 | 0 | 0 | 0 | 0 | 111.6 | I178 M181 F217 I218 E224 A225 | I178-V221 HydrophobicContact CG2-CB 4.14Å; I178-V221 HydrophobicContact CG2-CG1 4.11Å; I178-V221 HydrophobicContact CG2-CG2 3.74Å; M181-V221 HydrophobicContact CB-CG1 3.48Å; M181-V221 VanDerWaalsContact CB-CG1 3.48Å; M181-V221 HydrophobicContact CE-CG1 4.36Å; F217-V221 HydrophobicContact CD2-CG2 4.42Å; F217-V221 HydrophobicContact CE2-CG2 4.13Å; F217-V221 HydrophobicContact CZ-CG2 4.44Å; F217-V221 WeakPolarHBondContact O-CG2 3.47Å; F217-V221 PolarHBondContact O-N 3.3Å; F217-V221 VanDerWaalsContact O-N 3.12Å; I218-V221 PolarHBondContact O-N 3.04Å; I218-V221 VanDerWaalsContact O-N 3.17Å; V221-E224 PolarHBondContact O-N 3.18Å; V221-A225 WeakPolarHBondContact O-CB 3.39Å; V221-A225 PolarHBondContact O-N 2.91Å |
| 222 | V | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.9 | -48.5 | 174.8 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | M181 L198 I218 Q220 E224 A225 T226 N240 L241 I244 | M181-V222 HydrophobicContact CE-CG2 4.07Å; L198-V222 HydrophobicContact CD2-CG2 3.41Å; L198-V222 VanDerWaalsContact CD2-CG2 3.41Å; I218-V222 HydrophobicContact CG2-CG2 4.23Å; I218-V222 WeakPolarHBondContact O-CG2 2.95Å; I218-V222 PolarHBondContact O-N 3.03Å; Q220-V222 PolarHBondContact O-N 3.44Å; V222-E224 VanDerWaalsContact C-N 3.33Å; V222-E224 PolarHBondContact O-N 2.71Å; V222-A225 WeakPolarHBondContact O-CB 3.5Å; V222-A225 PolarHBondContact O-N 3.49Å; V222-A225 VanDerWaalsContact O-N 3.09Å; V222-T226 WeakPolarHBondContact O-CG2 3.47Å; V222-T226 PolarHBondContact O-N 3.07Å; V222-T226 VanDerWaalsContact O-N 3.14Å; V222-N240 HydrophobicContact CG1-CB 4.06Å; V222-L241 HydrophobicContact CB-CD2 4.43Å; V222-L241 HydrophobicContact CG1-CD2 3.52Å; V222-L241 HydrophobicContact CG1-CG 3.82Å; V222-I244 HydrophobicContact CG2-CD1 4.33Å |
| 223 | C | 98 | Very high | 97.2 | Very high | 18 Ų | 18 | 47.6 Ų | 47.6 | 12% | 0.122 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.7 | -41.9 | 178.2 | -69.4 | 0 | 0 | 0 | 0 | 111.5 | M219 Q220 A225 T226 I263 | M219-C223 VanDerWaalsContact O-CB 3.27Å; M219-C223 WeakPolarHBondContact O-CB 3.25Å; M219-C223 PolarHBondContact O-N 3.06Å; M219-C223 PolarHBondContact O-SG 2.89Å; Q220-C223 PolarHBondContact O-N 3.34Å; C223-A225 VanDerWaalsContact C-N 3.32Å; C223-A225 PolarHBondContact O-N 3.39Å; C223-T226 PolarHBondContact O-N 3.41Å; C223-T226 PolarHBondContact O-OG1 2.88Å; C223-I263 HydrophobicContact CB-CD1 3.8Å |
| 224 | E | 97.3 | Very high | 97.4 | Very high | 71 Ų | 71 | 44.8 Ų | 44.8 | 33% | 0.332 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.7 | -37.2 | 174.6 | -74.8 | 178.5 | -164.1 | 0 | 0 | 112.5 | Q220 V221 V222 T226 Q227 | Q220-E224 HydrophobicContact CG-CG 4.5Å; Q220-E224 WeakPolarHBondContact CG-OE1 3.48Å; Q220-E224 PolarHBondContact NE2-OE1 2.97Å; Q220-E224 WeakPolarHBondContact O-CB 3.49Å; Q220-E224 VanDerWaalsContact O-CG 3.31Å; Q220-E224 WeakPolarHBondContact O-CG 3.33Å; Q220-E224 PolarHBondContact O-N 3.34Å; V221-E224 PolarHBondContact O-N 3.18Å; V222-E224 VanDerWaalsContact C-N 3.33Å; V222-E224 PolarHBondContact O-N 2.71Å; E224-T226 VanDerWaalsContact C-N 3.31Å; E224-T226 PolarHBondContact O-N 3.35Å; E224-Q227 WeakPolarHBondContact O-CB 3.24Å; E224-Q227 PolarHBondContact O-N 3.46Å; E224-Q227 VanDerWaalsContact O-N 3.09Å |
| 225 | A | 98.1 | Very high | 97.5 | Very high | 7 Ų | 7 | 43 Ų | 43 | 6% | 0.058 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.9 | -29.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | M181 V221 V222 C223 Q227 C228 V233 A237 | M181-A225 HydrophobicContact CE-CB 4.31Å; V221-A225 WeakPolarHBondContact O-CB 3.39Å; V221-A225 PolarHBondContact O-N 2.91Å; V222-A225 WeakPolarHBondContact O-CB 3.5Å; V222-A225 PolarHBondContact O-N 3.49Å; V222-A225 VanDerWaalsContact O-N 3.09Å; C223-A225 VanDerWaalsContact C-N 3.32Å; C223-A225 PolarHBondContact O-N 3.39Å; A225-Q227 PolarHBondContact O-N 2.66Å; A225-Q227 VanDerWaalsContact O-N 3.16Å; A225-C228 WeakPolarHBondContact O-CB 3.42Å; A225-C228 PolarHBondContact O-N 3.08Å; A225-V233 HydrophobicContact CB-CG1 4.34Å; A225-A237 HydrophobicContact CB-CB 3.72Å |
| 226 | T | 98.1 | Very high | 97.6 | Very high | 8 Ų | 8 | 42 Ų | 42 | 5% | 0.049 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -19 | 171.8 | 72.5 | 0 | 0 | 0 | 0 | 113.2 | V222 C223 E224 R234 A237 L238 L241 I263 | V222-T226 WeakPolarHBondContact O-CG2 3.47Å; V222-T226 PolarHBondContact O-N 3.07Å; V222-T226 VanDerWaalsContact O-N 3.14Å; C223-T226 PolarHBondContact O-N 3.41Å; C223-T226 PolarHBondContact O-OG1 2.88Å; E224-T226 VanDerWaalsContact C-N 3.31Å; E224-T226 PolarHBondContact O-N 3.35Å; T226-R234 VanDerWaalsContact O-CD 3.27Å; T226-R234 WeakPolarHBondContact O-CD 3.44Å; T226-R234 VanDerWaalsContact O-CG 3.23Å; T226-R234 WeakPolarHBondContact O-CG 3.24Å; T226-A237 HydrophobicContact CG2-CB 3.8Å; T226-L238 HydrophobicContact CG2-CD2 4.03Å; T226-L238 HydrophobicContact CG2-CG 4.3Å; T226-L241 HydrophobicContact CG2-CD1 3.83Å; T226-I263 HydrophobicContact CG2-CG2 3.97Å |
| 227 | Q | 97.3 | Very high | 97.7 | Very high | 114 Ų | 114 | 37.1 Ų | 37.1 | 53% | 0.533 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 8 | 178.7 | -53 | -58.7 | -55.1 | 0 | 0 | 112.3 | E224 A225 | E224-Q227 WeakPolarHBondContact O-CB 3.24Å; E224-Q227 PolarHBondContact O-N 3.46Å; E224-Q227 VanDerWaalsContact O-N 3.09Å; A225-Q227 PolarHBondContact O-N 2.66Å; A225-Q227 VanDerWaalsContact O-N 3.16Å |
| 228 | C | 97.3 | Very high | 97.9 | Very high | 11 Ų | 11 | 33.6 Ų | 33.6 | 7% | 0.074 | 17% | 0.171 | C | C | . | . | trans | -63.2 | 139.2 | 176.6 | -170.7 | 0 | 0 | 0 | 0 | 110.8 | A225 D230 V233 R234 | A225-C228 WeakPolarHBondContact O-CB 3.42Å; A225-C228 PolarHBondContact O-N 3.08Å; C228-D230 PolarHBondContact O-N 3.28Å; C228-V233 HydrophobicContact CB-CB 3.94Å; C228-V233 HydrophobicContact CB-CG1 3.73Å; C228-R234 HydrophobicContact CB-CG 4.29Å; C228-R234 WeakPolarHBondContact O-CD 3.11Å; C228-R234 WeakPolarHBondContact O-CG 3.46Å; C228-R234 PolarHBondContact O-NE 3.02Å | ||
| 229 | P | 96.1 | Very high | 97.9 | Very high | 117 Ų | 117 | 36.5 Ų | 36.5 | 76% | 0.76 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -67 | -21.1 | 175.6 | 26.7 | -35.7 | 0 | 0 | 0 | 113.6 | T231 | P229-T231 PolarHBondContact O-N 2.97Š|
| 230 | D | 97.9 | Very high | 98 | Very high | 28 Ų | 28 | 36.5 Ų | 36.5 | 15% | 0.15 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -79.8 | 117.9 | 175.5 | -166.8 | -52.2 | 0 | 0 | 0 | 110.1 | N188 C228 R232 V233 R234 | N188-D230 HydrophobicContact CB-CB 3.95Å; N188-D230 VanDerWaalsContact CB-OD2 3.3Å; N188-D230 WeakPolarHBondContact CB-OD2 3.44Å; N188-D230 PolarHBondContact ND2-OD2 3.49Å; C228-D230 PolarHBondContact O-N 3.28Å; D230-R232 VanDerWaalsContact C-N 3.26Å; D230-R232 PolarHBondContact O-N 3.24Å; D230-R232 WeakPolarHBondContact OD1-CB 3.48Å; D230-R232 IonicContact OD1-CZ 3.36Å; D230-R232 PolarHBondContact OD1-N 2.98Å; D230-R232 IonicContact OD1-NE 3.91Å; D230-R232 PolarHBondContact OD1-NE 3.08Å; D230-R232 VanDerWaalsContact OD1-NE 3.12Å; D230-R232 IonicContact OD1-NH2 3.85Å; D230-R232 IonicContact OD2-CZ 3.57Å; D230-R232 IonicContact OD2-NE 2.93Å; D230-R232 IonicContact OD2-NH2 2.77Å; D230-R232 PolarHBondContact OD2-NH2 3.31Å; D230-V233 HydrophobicContact CB-CB 4.41Å; D230-V233 HydrophobicContact CB-CG2 4.05Å; D230-V233 PolarHBondContact O-N 3.21Å; D230-R234 PolarHBondContact O-N 2.67Å; D230-R234 VanDerWaalsContact O-N 3.16Å |
| 231 | T | 97.9 | Very high | 98 | Very high | 38 Ų | 38 | 32.4 Ų | 32.4 | 23% | 0.233 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.3 | -38.2 | -179.4 | -58.6 | 0 | 0 | 0 | 0 | 112.7 | P229 V233 R234 V235 I272 V275 | P229-T231 PolarHBondContact O-N 2.97Å; T231-V233 VanDerWaalsContact C-N 3.31Å; T231-V233 PolarHBondContact O-N 3.26Å; T231-R234 WeakPolarHBondContact O-CB 3.41Å; T231-R234 PolarHBondContact O-N 3.48Å; T231-R234 VanDerWaalsContact O-N 3.13Å; T231-R234 PolarHBondContact OG1-NH2 3.33Å; T231-V235 HydrophobicContact CG2-CG2 4.21Å; T231-V235 WeakPolarHBondContact O-CG2 3.45Å; T231-V235 PolarHBondContact O-N 3.18Å; T231-I272 HydrophobicContact CG2-CD1 4.41Å; T231-I272 HydrophobicContact CG2-CG2 3.88Å; T231-V275 HydrophobicContact CG2-CG2 4.04Å |
| 232 | R | 98.1 | Very high | 98.1 | Very high | 108 Ų | 108 | 32.7 Ų | 32.7 | 41% | 0.408 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63.4 | -40.5 | -178.1 | -57.6 | 171.1 | -65.4 | 160.8 | 3.2 | 111.1 | N189 L192 D230 A236 | N189-R232 PolarHBondContact OD1-NH1 2.93Å; N189-R232 PolarHBondContact OD1-NH2 3.45Å; N189-R232 VanDerWaalsContact OD1-NH2 3.11Å; L192-R232 HydrophobicContact CD1-CB 3.87Å; L192-R232 WeakPolarHBondContact CD1-O 3.49Å; L192-R232 HydrophobicContact CD2-CB 3.83Å; L192-R232 HydrophobicContact CG-CB 4.45Å; D230-R232 VanDerWaalsContact C-N 3.26Å; D230-R232 PolarHBondContact O-N 3.24Å; D230-R232 WeakPolarHBondContact OD1-CB 3.48Å; D230-R232 IonicContact OD1-CZ 3.36Å; D230-R232 PolarHBondContact OD1-N 2.98Å; D230-R232 IonicContact OD1-NE 3.91Å; D230-R232 PolarHBondContact OD1-NE 3.08Å; D230-R232 VanDerWaalsContact OD1-NE 3.12Å; D230-R232 IonicContact OD1-NH2 3.85Å; D230-R232 IonicContact OD2-CZ 3.57Å; D230-R232 IonicContact OD2-NE 2.93Å; D230-R232 IonicContact OD2-NH2 2.77Å; D230-R232 PolarHBondContact OD2-NH2 3.31Å; R232-A236 WeakPolarHBondContact O-CB 3.34Å; R232-A236 PolarHBondContact O-N 2.96Å |
| 233 | V | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.4 | -39.4 | 176.9 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | K191 L192 A225 C228 D230 T231 A237 | K191-V233 HydrophobicContact CB-CG1 4.2Å; K191-V233 HydrophobicContact CB-CG2 3.96Å; L192-V233 HydrophobicContact CB-CG2 4.08Å; A225-V233 HydrophobicContact CB-CG1 4.34Å; C228-V233 HydrophobicContact CB-CB 3.94Å; C228-V233 HydrophobicContact CB-CG1 3.73Å; D230-V233 HydrophobicContact CB-CB 4.41Å; D230-V233 HydrophobicContact CB-CG2 4.05Å; D230-V233 PolarHBondContact O-N 3.21Å; T231-V233 VanDerWaalsContact C-N 3.31Å; T231-V233 PolarHBondContact O-N 3.26Å; V233-A237 VanDerWaalsContact O-CB 3.25Å; V233-A237 WeakPolarHBondContact O-CB 3.41Å; V233-A237 PolarHBondContact O-N 2.89Å |
| 234 | R | 98.3 | Very high | 98.1 | Very high | 55 Ų | 55 | 34.1 Ų | 34.1 | 21% | 0.208 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.5 | -48.5 | 176.6 | -67.1 | -169.5 | -77.4 | 163.2 | 3.4 | 112.1 | T226 C228 D230 T231 A237 L238 | T226-R234 VanDerWaalsContact O-CD 3.27Å; T226-R234 WeakPolarHBondContact O-CD 3.44Å; T226-R234 VanDerWaalsContact O-CG 3.23Å; T226-R234 WeakPolarHBondContact O-CG 3.24Å; C228-R234 HydrophobicContact CB-CG 4.29Å; C228-R234 WeakPolarHBondContact O-CD 3.11Å; C228-R234 WeakPolarHBondContact O-CG 3.46Å; C228-R234 PolarHBondContact O-NE 3.02Å; D230-R234 PolarHBondContact O-N 2.67Å; D230-R234 VanDerWaalsContact O-N 3.16Å; T231-R234 WeakPolarHBondContact O-CB 3.41Å; T231-R234 PolarHBondContact O-N 3.48Å; T231-R234 VanDerWaalsContact O-N 3.13Å; T231-R234 PolarHBondContact OG1-NH2 3.33Å; R234-A237 PolarHBondContact O-N 3.09Å; R234-L238 WeakPolarHBondContact O-CG 3.28Å; R234-L238 PolarHBondContact O-N 2.86Å |
| 235 | V | 98.5 | Very high | 98.1 | Very high | 19 Ų | 19 | 30.8 Ų | 30.8 | 12% | 0.115 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.9 | -50.4 | 178.5 | 173 | 0 | 0 | 0 | 0 | 110.1 | T231 A237 L238 Q239 E274 V275 Q278 | T231-V235 HydrophobicContact CG2-CG2 4.21Å; T231-V235 WeakPolarHBondContact O-CG2 3.45Å; T231-V235 PolarHBondContact O-N 3.18Å; V235-A237 VanDerWaalsContact C-N 3.3Å; V235-A237 PolarHBondContact O-N 3.4Å; V235-L238 PolarHBondContact O-N 3.43Å; V235-Q239 WeakPolarHBondContact O-CG 3.31Å; V235-Q239 PolarHBondContact O-N 2.98Å; V235-E274 HydrophobicContact CG2-CB 3.77Å; V235-V275 HydrophobicContact CG2-CG2 3.99Å; V235-Q278 HydrophobicContact CG1-CG 3.99Å |
| 236 | A | 98.4 | Very high | 98 | Very high | 2 Ų | 2 | 32 Ų | 32 | 2% | 0.017 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.6 | -37.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L192 T195 N196 R232 Q239 N240 | L192-A236 HydrophobicContact CD1-CB 4.05Å; T195-A236 VanDerWaalsContact CG2-C 3.41Å; T195-A236 HydrophobicContact CG2-CB 3.57Å; N196-A236 VanDerWaalsContact OD1-CB 3.3Å; N196-A236 WeakPolarHBondContact OD1-CB 3.34Å; R232-A236 WeakPolarHBondContact O-CB 3.34Å; R232-A236 PolarHBondContact O-N 2.96Å; A236-Q239 PolarHBondContact O-N 3.24Å; A236-N240 PolarHBondContact O-N 3.01Å; A236-N240 VanDerWaalsContact O-N 3.07Å; A236-N240 PolarHBondContact O-ND2 2.88Å |
| 237 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70 | -37.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | T195 A225 T226 V233 R234 V235 N240 L241 | T195-A237 HydrophobicContact CG2-CB 4.13Å; A225-A237 HydrophobicContact CB-CB 3.72Å; T226-A237 HydrophobicContact CG2-CB 3.8Å; V233-A237 VanDerWaalsContact O-CB 3.25Å; V233-A237 WeakPolarHBondContact O-CB 3.41Å; V233-A237 PolarHBondContact O-N 2.89Å; R234-A237 PolarHBondContact O-N 3.09Å; V235-A237 VanDerWaalsContact C-N 3.3Å; V235-A237 PolarHBondContact O-N 3.4Å; A237-N240 WeakPolarHBondContact O-CB 3.29Å; A237-N240 PolarHBondContact O-N 2.66Å; A237-L241 PolarHBondContact O-N 3.41Å; A237-L241 VanDerWaalsContact O-N 3.1Å |
| 238 | L | 98.7 | Very high | 97.8 | Very high | 7 Ų | 7 | 30.6 Ų | 30.6 | 4% | 0.037 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67 | -41 | 173.7 | -68.3 | 166.1 | 0 | 0 | 0 | 111.2 | T226 R234 V235 N240 L241 V242 I263 A267 V275 Q278 | T226-L238 HydrophobicContact CG2-CD2 4.03Å; T226-L238 HydrophobicContact CG2-CG 4.3Å; R234-L238 WeakPolarHBondContact O-CG 3.28Å; R234-L238 PolarHBondContact O-N 2.86Å; V235-L238 PolarHBondContact O-N 3.43Å; L238-N240 VanDerWaalsContact C-N 3.26Å; L238-N240 PolarHBondContact O-N 2.73Å; L238-L241 HydrophobicContact CD2-CD1 4.37Å; L238-L241 WeakPolarHBondContact O-CA 3.16Å; L238-L241 WeakPolarHBondContact O-CB 3.48Å; L238-L241 PolarHBondContact O-N 3.23Å; L238-V242 WeakPolarHBondContact O-CG2 3.3Å; L238-V242 PolarHBondContact O-N 2.92Å; L238-I263 HydrophobicContact CD2-CG2 3.89Å; L238-A267 HydrophobicContact CD1-CB 3.88Å; L238-A267 HydrophobicContact CD2-CB 4.16Å; L238-V275 HydrophobicContact CD1-CG1 3.9Å; L238-Q278 HydrophobicContact CB-CB 3.54Å; L238-Q278 HydrophobicContact CB-CG 4.19Å; L238-Q278 HydrophobicContact CD1-CB 3.94Å; L238-Q278 HydrophobicContact CG-CB 4.35Å |
| 239 | Q | 98.6 | Very high | 97.8 | Very high | 65 Ų | 65 | 30.4 Ų | 30.4 | 30% | 0.304 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -57.1 | -39.6 | 172 | -73.1 | 173.3 | -32.8 | 0 | 0 | 112.1 | L199 V235 A236 L241 V242 K243 Q278 | L199-Q239 HydrophobicContact CD1-CB 4.33Å; L199-Q239 HydrophobicContact CD2-CB 4.23Å; V235-Q239 WeakPolarHBondContact O-CG 3.31Å; V235-Q239 PolarHBondContact O-N 2.98Å; A236-Q239 PolarHBondContact O-N 3.24Å; Q239-L241 VanDerWaalsContact C-N 3.34Å; Q239-V242 PolarHBondContact O-N 3.3Å; Q239-K243 PolarHBondContact O-N 3.43Å; Q239-Q278 HydrophobicContact CG-CG 4.24Å |
| 240 | N | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.7 | -40.3 | 172.4 | -83.6 | -93.2 | 0 | 0 | 0 | 111.8 | T195 L198 L199 V222 A236 A237 L238 V242 K243 I244 | T195-N240 WeakPolarHBondContact CG2-ND2 3.39Å; T195-N240 PolarHBondContact O-ND2 3.26Å; L198-N240 WeakPolarHBondContact CB-OD1 3.42Å; L198-N240 WeakPolarHBondContact CD2-OD1 3.5Å; L198-N240 WeakPolarHBondContact CG-OD1 3.42Å; L199-N240 VanDerWaalsContact CA-OD1 3.3Å; L199-N240 WeakPolarHBondContact CA-OD1 3.46Å; L199-N240 PolarHBondContact N-OD1 3.12Å; V222-N240 HydrophobicContact CG1-CB 4.06Å; A236-N240 PolarHBondContact O-N 3.01Å; A236-N240 VanDerWaalsContact O-N 3.07Å; A236-N240 PolarHBondContact O-ND2 2.88Å; A237-N240 WeakPolarHBondContact O-CB 3.29Å; A237-N240 PolarHBondContact O-N 2.66Å; L238-N240 VanDerWaalsContact C-N 3.26Å; L238-N240 PolarHBondContact O-N 2.73Å; N240-V242 VanDerWaalsContact C-N 3.34Å; N240-K243 PolarHBondContact O-N 2.99Å; N240-I244 VanDerWaalsContact O-CB 3.25Å; N240-I244 WeakPolarHBondContact O-CB 3.49Å; N240-I244 WeakPolarHBondContact O-CD1 3.33Å; N240-I244 WeakPolarHBondContact O-CG1 3.41Å; N240-I244 PolarHBondContact O-N 3.49Å |
| 241 | L | 98.7 | Very high | 97.8 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.016 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.1 | -37.6 | 175.5 | -68.1 | -177 | 0 | 0 | 0 | 112.5 | M219 V222 T226 A237 L238 Q239 M245 L260 I263 F282 | M219-L241 HydrophobicContact CE-CD2 4.05Å; V222-L241 HydrophobicContact CB-CD2 4.43Å; V222-L241 HydrophobicContact CG1-CD2 3.52Å; V222-L241 HydrophobicContact CG1-CG 3.82Å; T226-L241 HydrophobicContact CG2-CD1 3.83Å; A237-L241 PolarHBondContact O-N 3.41Å; A237-L241 VanDerWaalsContact O-N 3.1Å; L238-L241 HydrophobicContact CD2-CD1 4.37Å; L238-L241 WeakPolarHBondContact O-CA 3.16Å; L238-L241 WeakPolarHBondContact O-CB 3.48Å; L238-L241 PolarHBondContact O-N 3.23Å; Q239-L241 VanDerWaalsContact C-N 3.34Å; L241-M245 WeakPolarHBondContact O-CB 3.37Å; L241-M245 PolarHBondContact O-N 3.27Å; L241-L260 HydrophobicContact CD1-CD2 4.01Å; L241-L260 HydrophobicContact CD2-CD2 3.68Å; L241-L260 HydrophobicContact CG-CD2 4.43Å; L241-I263 HydrophobicContact CD1-CG2 4.12Å; L241-F282 HydrophobicContact CB-CD2 4.19Å; L241-F282 HydrophobicContact CB-CE2 4.15Å |
| 242 | V | 98.5 | Very high | 97.8 | Very high | 14 Ų | 14 | 28.5 Ų | 28.5 | 9% | 0.085 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.6 | -56.9 | 173 | -180 | 0 | 0 | 0 | 0 | 109.6 | L238 Q239 N240 I244 M245 S246 E281 F282 N285 | L238-V242 WeakPolarHBondContact O-CG2 3.3Å; L238-V242 PolarHBondContact O-N 2.92Å; Q239-V242 PolarHBondContact O-N 3.3Å; N240-V242 VanDerWaalsContact C-N 3.34Å; V242-I244 VanDerWaalsContact C-N 3.31Å; V242-I244 PolarHBondContact O-N 2.96Å; V242-M245 WeakPolarHBondContact O-CA 3.5Å; V242-M245 VanDerWaalsContact O-CB 3.28Å; V242-M245 WeakPolarHBondContact O-CB 3.31Å; V242-M245 PolarHBondContact O-N 2.92Å; V242-S246 PolarHBondContact O-N 2.7Å; V242-S246 PolarHBondContact O-OG 3.01Å; V242-S246 VanDerWaalsContact O-OG 3.11Å; V242-E281 HydrophobicContact CG1-CG 4.09Å; V242-E281 HydrophobicContact CG2-CB 4.4Å; V242-E281 HydrophobicContact CG2-CG 4.18Å; V242-F282 HydrophobicContact CG2-CB 4.04Å; V242-F282 HydrophobicContact CG2-CD2 4.42Å; V242-N285 HydrophobicContact CG1-CB 4.07Å |
| 243 | K | 97.9 | Very high | 97.8 | Very high | 48 Ų | 48 | 28.8 Ų | 28.8 | 21% | 0.209 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.8 | -33.5 | -178.2 | -170.2 | 167.3 | -175.1 | 178.2 | 0 | 113.3 | L199 L202 E203 Q239 N240 M245 L247 | L199-K243 HydrophobicContact CD1-CB 3.8Å; L199-K243 HydrophobicContact CD1-CD 3.75Å; L199-K243 HydrophobicContact CD1-CG 4.39Å; L199-K243 HydrophobicContact CG-CD 4.35Å; L199-K243 WeakPolarHBondContact O-CD 3.4Å; L199-K243 PolarHBondContact O-NZ 3.05Å; L202-K243 HydrophobicContact CB-CD 4.43Å; L202-K243 HydrophobicContact CD1-CB 3.88Å; L202-K243 HydrophobicContact CD1-CD 4.09Å; L202-K243 HydrophobicContact CD1-CG 3.89Å; E203-K243 WeakPolarHBondContact OE1-CE 3.24Å; E203-K243 IonicContact OE1-NZ 2.83Å; E203-K243 PolarHBondContact OE1-NZ 3.33Å; Q239-K243 PolarHBondContact O-N 3.43Å; N240-K243 PolarHBondContact O-N 2.99Å; K243-M245 VanDerWaalsContact C-N 3.32Å; K243-L247 HydrophobicContact CG-CD1 3.96Å; K243-L247 HydrophobicContact CG-CG 4.4Å; K243-L247 WeakPolarHBondContact O-CB 3.47Å; K243-L247 WeakPolarHBondContact O-CG 3.38Å; K243-L247 PolarHBondContact O-N 3.17Å; K243-L247 VanDerWaalsContact O-N 3.07Å |
| 244 | I | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.5 | -37.7 | 172.6 | -73.1 | 166.4 | 0 | 0 | 0 | 110.7 | L202 F209 M219 V222 N240 V242 Y248 M252 | L202-I244 HydrophobicContact CD1-CD1 4.48Å; L202-I244 HydrophobicContact CD1-CG1 3.75Å; L202-I244 HydrophobicContact CD2-CD1 4.25Å; L202-I244 HydrophobicContact CD2-CG1 3.82Å; L202-I244 HydrophobicContact CG-CG1 4.45Å; F209-I244 HydrophobicContact CE1-CG2 3.95Å; F209-I244 HydrophobicContact CZ-CD1 4.08Å; F209-I244 HydrophobicContact CZ-CG1 3.98Å; F209-I244 HydrophobicContact CZ-CG2 4.24Å; M219-I244 HydrophobicContact CE-CG2 4.36Å; M219-I244 HydrophobicContact SD-CD1 4.08Å; M219-I244 HydrophobicContact SD-CG2 3.84Å; V222-I244 HydrophobicContact CG2-CD1 4.33Å; N240-I244 VanDerWaalsContact O-CB 3.25Å; N240-I244 WeakPolarHBondContact O-CB 3.49Å; N240-I244 WeakPolarHBondContact O-CD1 3.33Å; N240-I244 WeakPolarHBondContact O-CG1 3.41Å; N240-I244 PolarHBondContact O-N 3.49Å; V242-I244 VanDerWaalsContact C-N 3.31Å; V242-I244 PolarHBondContact O-N 2.96Å; I244-Y248 HydrophobicContact CG2-CD2 4.27Å; I244-Y248 WeakPolarHBondContact O-CA 3.48Å; I244-Y248 VanDerWaalsContact O-CB 3.27Å; I244-Y248 WeakPolarHBondContact O-CB 3.41Å; I244-Y248 PolarHBondContact O-N 3.15Å; I244-M252 HydrophobicContact CG2-CE 3.59Å; I244-M252 HydrophobicContact CG2-SD 3.8Å |
| 245 | M | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.1 | -45.5 | 177.4 | -176.8 | 55.6 | 66.3 | 0 | 0 | 111.1 | L241 V242 K243 Y249 M252 M256 L260 F282 V286 | L241-M245 WeakPolarHBondContact O-CB 3.37Å; L241-M245 PolarHBondContact O-N 3.27Å; V242-M245 WeakPolarHBondContact O-CA 3.5Å; V242-M245 VanDerWaalsContact O-CB 3.28Å; V242-M245 WeakPolarHBondContact O-CB 3.31Å; V242-M245 PolarHBondContact O-N 2.92Å; K243-M245 VanDerWaalsContact C-N 3.32Å; M245-Y249 VanDerWaalsContact O-CA 3.29Å; M245-Y249 WeakPolarHBondContact O-CA 3.39Å; M245-Y249 WeakPolarHBondContact O-CB 3.48Å; M245-Y249 PolarHBondContact O-N 3.45Å; M245-Y249 HydrophobicContact SD-CD2 3.66Å; M245-Y249 HydrophobicContact SD-CE2 4.26Å; M245-Y249 HydrophobicContact SD-CG 4.46Å; M245-M252 HydrophobicContact CE-CB 3.88Å; M245-M252 HydrophobicContact CE-CG 3.72Å; M245-M252 HydrophobicContact SD-CB 4.16Å; M245-M252 HydrophobicContact SD-CG 3.83Å; M245-M256 HydrophobicContact CE-CE 3.36Å; M245-L260 HydrophobicContact CE-CD1 4.29Å; M245-F282 HydrophobicContact CB-CE2 4.1Å; M245-F282 HydrophobicContact CE-CE1 4.18Å; M245-F282 HydrophobicContact CE-CE2 3.91Å; M245-F282 HydrophobicContact CE-CZ 3.36Å; M245-V286 HydrophobicContact CE-CG2 4.22Å; M245-V286 HydrophobicContact CG-CG2 3.67Å; M245-V286 HydrophobicContact SD-CG2 4.1Å |
| 246 | S | 95.2 | Very high | 97.7 | Very high | 32 Ų | 32 | 30.4 Ų | 30.4 | 22% | 0.224 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.1 | -53.3 | 179 | -21.9 | 0 | 0 | 0 | 0 | 111.5 | V242 Y248 N285 E289 | V242-S246 PolarHBondContact O-N 2.7Å; V242-S246 PolarHBondContact O-OG 3.01Å; V242-S246 VanDerWaalsContact O-OG 3.11Å; S246-Y248 PolarHBondContact O-N 3.24Å; S246-N285 PolarHBondContact OG-ND2 3.21Å; S246-N285 PolarHBondContact OG-OD1 3.06Å; S246-E289 VanDerWaalsContact CA-OE1 3.24Å; S246-E289 WeakPolarHBondContact CA-OE1 3.27Å; S246-E289 VanDerWaalsContact CB-OE1 3.28Å; S246-E289 WeakPolarHBondContact CB-OE1 3.49Å |
| 247 | L | 94.6 | Very high | 97.5 | Very high | 80 Ų | 80 | 33.2 Ų | 33.2 | 42% | 0.419 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -73.4 | -27 | -174.6 | -65.2 | 177 | 0 | 0 | 0 | 114.3 | L202 E203 K243 | L202-L247 HydrophobicContact CB-CD1 3.82Å; E203-L247 HydrophobicContact CG-CD1 4.41Å; K243-L247 HydrophobicContact CG-CD1 3.96Å; K243-L247 HydrophobicContact CG-CG 4.4Å; K243-L247 WeakPolarHBondContact O-CB 3.47Å; K243-L247 WeakPolarHBondContact O-CG 3.38Å; K243-L247 PolarHBondContact O-N 3.17Å; K243-L247 VanDerWaalsContact O-N 3.07Å |
| 248 | Y | 97.2 | Very high | 97.4 | Very high | 13 Ų | 13 | 38.4 Ų | 38.4 | 5% | 0.051 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -132.8 | 26.3 | -166.2 | -57.1 | -62 | 0 | 0 | 0 | 113.7 | L202 T205 R206 F209 I244 S246 Q250 Y251 | L202-Y248 HydrophobicContact CD2-CE2 4.49Å; L202-Y248 PolarHBondContact O-OH 3Å; T205-Y248 PolarHBondContact OG1-OH 2.73Å; R206-Y248 HydrophobicContact CB-CE1 4.39Å; R206-Y248 HydrophobicContact CG-CE1 4.49Å; R206-Y248 PolarHBondContact N-OH 3.2Å; F209-Y248 HydrophobicContact CB-CD1 3.79Å; F209-Y248 HydrophobicContact CB-CE1 3.71Å; F209-Y248 HydrophobicContact CB-CG 4.28Å; F209-Y248 HydrophobicContact CD1-CD1 4.04Å; F209-Y248 AromaticContact CD1-CD2 3.69Å; F209-Y248 HydrophobicContact CD1-CD2 3.69Å; F209-Y248 HydrophobicContact CD1-CE1 4.45Å; F209-Y248 HydrophobicContact CD1-CE2 4.15Å; F209-Y248 AromaticContact CD1-CG 3.62Å; F209-Y248 HydrophobicContact CD1-CG 3.62Å; F209-Y248 HydrophobicContact CD2-CD2 4Å; F209-Y248 HydrophobicContact CD2-CE1 4.14Å; F209-Y248 AromaticContact CD2-CE2 3.59Å; F209-Y248 HydrophobicContact CD2-CE2 3.59Å; F209-Y248 HydrophobicContact CD2-CG 4.45Å; F209-Y248 AromaticContact CD2-CZ 3.66Å; F209-Y248 AromaticContact CE1-CD2 3.69Å; F209-Y248 HydrophobicContact CE1-CD2 3.69Å; F209-Y248 HydrophobicContact CE1-CE2 4.22Å; F209-Y248 HydrophobicContact CE1-CG 4.03Å; F209-Y248 AromaticContact CE2-CD2 3.99Å; F209-Y248 HydrophobicContact CE2-CD2 3.99Å; F209-Y248 AromaticContact CE2-CE2 3.65Å; F209-Y248 HydrophobicContact CE2-CE2 3.65Å; F209-Y248 AromaticContact CG-CD1 3.87Å; F209-Y248 HydrophobicContact CG-CD1 3.87Å; F209-Y248 AromaticContact CG-CD2 3.86Å; F209-Y248 HydrophobicContact CG-CD2 3.86Å; F209-Y248 AromaticContact CG-CE1 3.86Å; F209-Y248 HydrophobicContact CG-CE1 3.86Å; F209-Y248 AromaticContact CG-CE2 3.85Å; F209-Y248 HydrophobicContact CG-CE2 3.85Å; F209-Y248 AromaticContact CG-CG 3.86Å; F209-Y248 HydrophobicContact CG-CG 3.86Å; F209-Y248 AromaticContact CG-CZ 3.84Å; F209-Y248 AromaticContact CZ-CD2 3.84Å; F209-Y248 HydrophobicContact CZ-CD2 3.84Å; F209-Y248 AromaticContact CZ-CE2 3.98Å; F209-Y248 HydrophobicContact CZ-CE2 3.98Å; I244-Y248 HydrophobicContact CG2-CD2 4.27Å; I244-Y248 WeakPolarHBondContact O-CA 3.48Å; I244-Y248 VanDerWaalsContact O-CB 3.27Å; I244-Y248 WeakPolarHBondContact O-CB 3.41Å; I244-Y248 PolarHBondContact O-N 3.15Å; S246-Y248 PolarHBondContact O-N 3.24Å; Y248-Q250 PolarHBondContact O-N 3.39Å; Y248-Q250 VanDerWaalsContact O-N 3.08Å; Y248-Y251 HydrophobicContact CD1-CD2 4.14Å; Y248-Y251 HydrophobicContact CD1-CE2 4.28Å; Y248-Y251 PolarHBondContact O-N 3.16Å |
| 249 | Y | 97.9 | Very high | 97.3 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -43 | -47.5 | -179 | -177.5 | -84.8 | 0 | 0 | 0 | 113.1 | M245 Y251 M252 E289 E290 L293 K312 Y314 | M245-Y249 VanDerWaalsContact O-CA 3.29Å; M245-Y249 WeakPolarHBondContact O-CA 3.39Å; M245-Y249 WeakPolarHBondContact O-CB 3.48Å; M245-Y249 PolarHBondContact O-N 3.45Å; M245-Y249 HydrophobicContact SD-CD2 3.66Å; M245-Y249 HydrophobicContact SD-CE2 4.26Å; M245-Y249 HydrophobicContact SD-CG 4.46Å; Y249-Y251 PolarHBondContact O-N 3.15Å; Y249-M252 WeakPolarHBondContact O-CB 3.39Å; Y249-M252 PolarHBondContact O-N 3.34Å; Y249-E289 HydrophobicContact CD2-CB 4.12Å; Y249-E289 HydrophobicContact CE2-CB 4.47Å; Y249-E290 HydrophobicContact CE2-CG 3.93Å; Y249-E290 WeakPolarHBondContact OH-CG 3.24Å; Y249-E290 PolarHBondContact OH-OE1 3.13Å; Y249-L293 HydrophobicContact CD1-CD1 3.85Å; Y249-L293 HydrophobicContact CE1-CD1 3.7Å; Y249-L293 HydrophobicContact CG-CD1 4.38Å; Y249-K312 HydrophobicContact CE1-CB 4.33Å; Y249-K312 HydrophobicContact CE1-CG 3.99Å; Y249-K312 PolarHBondContact OH-N 2.92Å; Y249-Y314 HydrophobicContact CE1-CE2 4.24Å; Y249-Y314 AromaticContact CE2-CD2 3.69Å; Y249-Y314 HydrophobicContact CE2-CD2 3.69Å; Y249-Y314 AromaticContact CE2-CE2 3.87Å; Y249-Y314 HydrophobicContact CE2-CE2 3.87Å; Y249-Y314 AromaticContact CZ-CD2 3.72Å; Y249-Y314 AromaticContact CZ-CE2 3.68Å; Y249-Y314 WeakPolarHBondContact OH-CD2 3.26Å |
| 250 | Q | 96.4 | Very high | 97.3 | Very high | 71 Ų | 71 | 36.3 Ų | 36.3 | 33% | 0.332 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -58.8 | -22.3 | -178 | -64.8 | -58.5 | -41.5 | 0 | 0 | 114.3 | Y248 T310 | Y248-Q250 PolarHBondContact O-N 3.39Å; Y248-Q250 VanDerWaalsContact O-N 3.08Å; Q250-T310 PolarHBondContact NE2-O 3.45Å |
| 251 | Y | 97.6 | Very high | 97.3 | Very high | 70 Ų | 70 | 39 Ų | 39 | 28% | 0.275 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -93.6 | -9.2 | 178.8 | -60.2 | -45.7 | 0 | 0 | 0 | 114 | F209 D210 R215 Y248 Y249 E253 | F209-Y251 HydrophobicContact CB-CD2 4.29Å; F209-Y251 HydrophobicContact CB-CE2 4.25Å; D210-Y251 PolarHBondContact OD1-OH 3.45Å; R215-Y251 VanDerWaalsContact NH1-CG 3.33Å; Y248-Y251 HydrophobicContact CD1-CD2 4.14Å; Y248-Y251 HydrophobicContact CD1-CE2 4.28Å; Y248-Y251 PolarHBondContact O-N 3.16Å; Y249-Y251 PolarHBondContact O-N 3.15Å; Y251-E253 VanDerWaalsContact C-N 3.33Å; Y251-E253 PolarHBondContact O-N 2.91Å |
| 252 | M | 97.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -13.9 | -169 | -66.3 | -57.6 | 111.2 | 0 | 0 | 114.3 | F209 M219 I244 M245 Y249 T254 Y255 M256 L260 | F209-M252 HydrophobicContact CE1-CE 4.46Å; M219-M252 HydrophobicContact CE-CE 4.45Å; M219-M252 HydrophobicContact CE-SD 3.97Å; M219-M252 HydrophobicContact SD-CE 4.3Å; I244-M252 HydrophobicContact CG2-CE 3.59Å; I244-M252 HydrophobicContact CG2-SD 3.8Å; M245-M252 HydrophobicContact CE-CB 3.88Å; M245-M252 HydrophobicContact CE-CG 3.72Å; M245-M252 HydrophobicContact SD-CB 4.16Å; M245-M252 HydrophobicContact SD-CG 3.83Å; Y249-M252 WeakPolarHBondContact O-CB 3.39Å; Y249-M252 PolarHBondContact O-N 3.34Å; M252-T254 PolarHBondContact O-N 2.89Å; M252-T254 VanDerWaalsContact O-N 3.09Å; M252-Y255 HydrophobicContact CE-CD2 4.39Å; M252-Y255 PolarHBondContact O-N 3.49Å; M252-Y255 HydrophobicContact SD-CD2 4.5Å; M252-M256 WeakPolarHBondContact O-CB 3.45Å; M252-M256 PolarHBondContact O-N 3.08Å; M252-L260 HydrophobicContact SD-CD1 3.89Å |
| 253 | E | 97.1 | Very high | 97.3 | Very high | 115 Ų | 115 | 41.9 Ų | 41.9 | 54% | 0.537 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -54.5 | -35.7 | 179 | -168 | 177.9 | 161.4 | 0 | 0 | 112.8 | Y251 Y255 K312 Y314 | Y251-E253 VanDerWaalsContact C-N 3.33Å; Y251-E253 PolarHBondContact O-N 2.91Å; E253-Y255 VanDerWaalsContact C-N 3.3Å; E253-Y255 PolarHBondContact O-N 3.01Å; E253-K312 WeakPolarHBondContact OE2-CE 3.23Å; E253-K312 IonicContact OE2-NZ 3.78Å; E253-K312 PolarHBondContact OE2-NZ 3.44Å; E253-Y314 WeakPolarHBondContact CA-OH 3.39Å; E253-Y314 WeakPolarHBondContact CB-OH 3.26Å; E253-Y314 PolarHBondContact N-OH 2.77Å |
| 254 | T | 97.7 | Very high | 97.3 | Very high | 78 Ų | 78 | 39.6 Ų | 39.6 | 48% | 0.479 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.7 | -28.9 | 179.3 | -57.2 | 0 | 0 | 0 | 0 | 112.7 | M252 P258 | M252-T254 PolarHBondContact O-N 2.89Å; M252-T254 VanDerWaalsContact O-N 3.09Å; T254-P258 WeakPolarHBondContact O-CG 3.29Å |
| 255 | Y | 98.1 | Very high | 97.3 | Very high | 18 Ų | 18 | 40.3 Ų | 40.3 | 7% | 0.071 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -108.7 | -23.1 | -170.1 | -53.3 | -80 | 0 | 0 | 0 | 113 | R215 H216 M219 M252 E253 A259 L260 | R215-Y255 HydrophobicContact CG-CE2 4.11Å; R215-Y255 PolarHBondContact NE-OH 3.02Å; H216-Y255 WeakPolarHBondContact CA-OH 3.43Å; H216-Y255 PolarHBondContact N-OH 3.35Å; H216-Y255 AromaticContact ND1-CE1 3.87Å; M219-Y255 HydrophobicContact CB-CD1 3.83Å; M219-Y255 HydrophobicContact CB-CE1 3.64Å; M219-Y255 HydrophobicContact CB-CG 4.4Å; M219-Y255 HydrophobicContact CE-CD2 4.44Å; M219-Y255 HydrophobicContact CE-CG 4.18Å; M219-Y255 HydrophobicContact CG-CD1 4.06Å; M219-Y255 HydrophobicContact CG-CD2 4.11Å; M219-Y255 HydrophobicContact CG-CE1 3.85Å; M219-Y255 HydrophobicContact CG-CE2 3.92Å; M219-Y255 HydrophobicContact CG-CG 4.19Å; M252-Y255 HydrophobicContact CE-CD2 4.39Å; M252-Y255 PolarHBondContact O-N 3.49Å; M252-Y255 HydrophobicContact SD-CD2 4.5Å; E253-Y255 VanDerWaalsContact C-N 3.3Å; E253-Y255 PolarHBondContact O-N 3.01Å; Y255-A259 PolarHBondContact O-N 3.18Å; Y255-L260 PolarHBondContact O-N 3.42Å |
| 256 | M | 97.4 | Very high | 97.3 | Very high | 13 Ų | 13 | 46.2 Ų | 46.2 | 6% | 0.064 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -57.3 | -61.8 | -173.9 | -178.4 | 56.6 | 77.9 | 0 | 0 | 112.4 | M245 M252 L260 F261 F282 W283 Y314 | M245-M256 HydrophobicContact CE-CE 3.36Å; M252-M256 WeakPolarHBondContact O-CB 3.45Å; M252-M256 PolarHBondContact O-N 3.08Å; M256-L260 PolarHBondContact O-N 2.97Å; M256-L260 HydrophobicContact SD-CB 4.16Å; M256-F261 VanDerWaalsContact O-CB 3.27Å; M256-F261 WeakPolarHBondContact O-CB 3.31Å; M256-F261 PolarHBondContact O-N 3.33Å; M256-F261 HydrophobicContact SD-CB 4.36Å; M256-F282 HydrophobicContact CE-CE1 4.16Å; M256-F282 HydrophobicContact CE-CZ 4.11Å; M256-W283 HydrophobicContact SD-CH2 4.16Å; M256-Y314 HydrophobicContact CB-CD1 4.36Å; M256-Y314 HydrophobicContact CB-CE1 3.98Å; M256-Y314 HydrophobicContact CE-CD1 4.29Å; M256-Y314 HydrophobicContact CE-CD2 3.78Å; M256-Y314 HydrophobicContact CE-CE2 4.19Å; M256-Y314 HydrophobicContact CE-CG 3.83Å; M256-Y314 HydrophobicContact CG-CD1 3.69Å; M256-Y314 HydrophobicContact CG-CE1 3.82Å; M256-Y314 HydrophobicContact CG-CG 4.19Å |
| 257 | G | 94.9 | Very high | 97.5 | Very high | 60 Ų | 60 | 45 Ų | 45 | 62% | 0.619 | 26% | 0.255 | S | S | * | . | I | π-helix | trans | -65.5 | -47.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | A259 | G257-A259 PolarHBondContact O-N 2.95Å |
| 258 | P | 96.3 | Very high | 97.7 | Very high | 109 Ų | 109 | 41.2 Ų | 41.2 | 71% | 0.708 | 24% | 0.236 | S | C | * | . | I | π-helix | trans | -70.1 | -27.6 | -175.7 | -25.7 | 36.9 | 0 | 0 | 0 | 115.8 | T254 | T254-P258 WeakPolarHBondContact O-CG 3.29Å |
| 259 | A | 96.8 | Very high | 97.7 | Very high | 27 Ų | 27 | 46.5 Ų | 46.5 | 22% | 0.223 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -141.8 | -58.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114 | Y255 G257 F261 A262 I263 | Y255-A259 PolarHBondContact O-N 3.18Å; G257-A259 PolarHBondContact O-N 2.95Å; A259-F261 VanDerWaalsContact C-N 3.35Å; A259-F261 PolarHBondContact O-N 3.48Å; A259-A262 PolarHBondContact O-N 3.4Å; A259-A262 VanDerWaalsContact O-N 3.1Å; A259-I263 HydrophobicContact CB-CD1 4.35Å; A259-I263 WeakPolarHBondContact O-CG1 3.42Å; A259-I263 PolarHBondContact O-N 3.25Å; A259-I263 VanDerWaalsContact O-N 3.08Å |
| 260 | L | 98.2 | Very high | 97.7 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -60.7 | -44 | -165.9 | -56.4 | 178.4 | 0 | 0 | 0 | 112 | M219 L241 M245 M252 Y255 M256 A262 I263 T264 F282 | M219-L260 HydrophobicContact CE-CD1 4.21Å; M219-L260 HydrophobicContact CE-CD2 3.86Å; M219-L260 HydrophobicContact CE-CG 4.49Å; L241-L260 HydrophobicContact CD1-CD2 4.01Å; L241-L260 HydrophobicContact CD2-CD2 3.68Å; L241-L260 HydrophobicContact CG-CD2 4.43Å; M245-L260 HydrophobicContact CE-CD1 4.29Å; M252-L260 HydrophobicContact SD-CD1 3.89Å; Y255-L260 PolarHBondContact O-N 3.42Å; M256-L260 PolarHBondContact O-N 2.97Å; M256-L260 HydrophobicContact SD-CB 4.16Å; L260-A262 VanDerWaalsContact C-N 3.32Å; L260-A262 PolarHBondContact O-N 3.05Å; L260-I263 PolarHBondContact O-N 2.98Å; L260-T264 WeakPolarHBondContact O-CG2 3.49Å; L260-T264 PolarHBondContact O-N 2.86Å; L260-T264 PolarHBondContact O-OG1 2.95Å; L260-F282 HydrophobicContact CB-CZ 4.28Å; L260-F282 HydrophobicContact CD1-CZ 4.41Å |
| 261 | F | 98.4 | Very high | 97.7 | Very high | 56 Ų | 56 | 50.8 Ų | 50.8 | 25% | 0.246 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55.6 | -45.7 | 177.5 | 177.3 | -95.6 | 0 | 0 | 0 | 112.2 | M256 A259 T264 I265 W283 A318 Y321 | M256-F261 VanDerWaalsContact O-CB 3.27Å; M256-F261 WeakPolarHBondContact O-CB 3.31Å; M256-F261 PolarHBondContact O-N 3.33Å; M256-F261 HydrophobicContact SD-CB 4.36Å; A259-F261 VanDerWaalsContact C-N 3.35Å; A259-F261 PolarHBondContact O-N 3.48Å; F261-T264 PolarHBondContact O-OG1 3.08Å; F261-I265 HydrophobicContact CD1-CG1 4.44Å; F261-I265 HydrophobicContact CD2-CG1 4.15Å; F261-I265 HydrophobicContact CE1-CG1 4.15Å; F261-I265 HydrophobicContact CE2-CD1 4.1Å; F261-I265 HydrophobicContact CE2-CG1 3.82Å; F261-I265 HydrophobicContact CG-CG1 4.43Å; F261-I265 HydrophobicContact CZ-CD1 4.23Å; F261-I265 HydrophobicContact CZ-CG1 3.81Å; F261-I265 VanDerWaalsContact O-CB 3.23Å; F261-I265 WeakPolarHBondContact O-CB 3.35Å; F261-I265 WeakPolarHBondContact O-CG1 3.48Å; F261-I265 PolarHBondContact O-N 3.47Å; F261-I265 VanDerWaalsContact O-N 3.12Å; F261-W283 AromaticContact CD2-CH2 3.98Å; F261-W283 HydrophobicContact CD2-CH2 3.98Å; F261-W283 AromaticContact CD2-CZ2 3.69Å; F261-W283 HydrophobicContact CD2-CZ2 3.69Å; F261-W283 HydrophobicContact CE2-CZ2 4.24Å; F261-A318 HydrophobicContact CD2-CB 4.32Å; F261-A318 HydrophobicContact CE2-CB 3.88Å; F261-Y321 AromaticContact CE2-CD2 3.98Å; F261-Y321 HydrophobicContact CE2-CD2 3.98Å; F261-Y321 HydrophobicContact CE2-CG 4.44Å; F261-Y321 HydrophobicContact CZ-CD1 4.4Å; F261-Y321 AromaticContact CZ-CD2 3.46Å; F261-Y321 HydrophobicContact CZ-CD2 3.46Å; F261-Y321 VanDerWaalsContact CZ-CD2 3.46Å; F261-Y321 AromaticContact CZ-CE2 3.94Å; F261-Y321 HydrophobicContact CZ-CE2 3.94Å; F261-Y321 AromaticContact CZ-CG 3.7Å; F261-Y321 HydrophobicContact CZ-CG 3.7Å |
| 262 | A | 98.4 | Very high | 97.7 | Very high | 58 Ų | 58 | 50.3 Ų | 50.3 | 48% | 0.479 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.3 | -44.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A259 L260 E266 | A259-A262 PolarHBondContact O-N 3.4Å; A259-A262 VanDerWaalsContact O-N 3.1Å; L260-A262 VanDerWaalsContact C-N 3.32Å; L260-A262 PolarHBondContact O-N 3.05Å; A262-E266 WeakPolarHBondContact O-CB 3.37Å; A262-E266 PolarHBondContact O-N 2.97Å |
| 263 | I | 98.6 | Very high | 97.7 | Very high | 20 Ų | 20 | 54.5 Ų | 54.5 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.3 | -48.7 | -179.1 | -68.7 | 168.6 | 0 | 0 | 0 | 110.8 | C223 T226 L238 L241 A259 L260 E266 A267 | C223-I263 HydrophobicContact CB-CD1 3.8Å; T226-I263 HydrophobicContact CG2-CG2 3.97Å; L238-I263 HydrophobicContact CD2-CG2 3.89Å; L241-I263 HydrophobicContact CD1-CG2 4.12Å; A259-I263 HydrophobicContact CB-CD1 4.35Å; A259-I263 WeakPolarHBondContact O-CG1 3.42Å; A259-I263 PolarHBondContact O-N 3.25Å; A259-I263 VanDerWaalsContact O-N 3.08Å; L260-I263 PolarHBondContact O-N 2.98Å; I263-E266 PolarHBondContact O-N 2.91Å; I263-A267 WeakPolarHBondContact O-CB 3.46Å; I263-A267 PolarHBondContact O-N 3.46Å |
| 264 | T | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74.6 | -36.9 | -173.9 | 59.4 | 0 | 0 | 0 | 0 | 111.6 | L260 F261 E266 A267 M268 F282 W283 | L260-T264 WeakPolarHBondContact O-CG2 3.49Å; L260-T264 PolarHBondContact O-N 2.86Å; L260-T264 PolarHBondContact O-OG1 2.95Å; F261-T264 PolarHBondContact O-OG1 3.08Å; T264-E266 VanDerWaalsContact C-N 3.33Å; T264-E266 PolarHBondContact O-N 3.49Å; T264-A267 WeakPolarHBondContact O-CB 3.41Å; T264-A267 PolarHBondContact O-N 3.3Å; T264-M268 VanDerWaalsContact O-CG 3.32Å; T264-M268 WeakPolarHBondContact O-CG 3.48Å; T264-M268 PolarHBondContact O-N 3.28Å; T264-F282 HydrophobicContact CG2-CB 4.09Å; T264-F282 HydrophobicContact CG2-CD1 3.57Å; T264-F282 HydrophobicContact CG2-CD2 3.85Å; T264-F282 HydrophobicContact CG2-CE1 3.84Å; T264-F282 HydrophobicContact CG2-CE2 4.1Å; T264-F282 HydrophobicContact CG2-CG 3.55Å; T264-F282 HydrophobicContact CG2-CZ 4.08Å; T264-W283 PolarHBondContact OG1-NE1 3.12Å |
| 265 | I | 98.4 | Very high | 97.7 | Very high | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.077 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.9 | -37.8 | 172.8 | -68.5 | -70.1 | 0 | 0 | 0 | 111.9 | F261 M268 K269 L322 I325 | F261-I265 HydrophobicContact CD1-CG1 4.44Å; F261-I265 HydrophobicContact CD2-CG1 4.15Å; F261-I265 HydrophobicContact CE1-CG1 4.15Å; F261-I265 HydrophobicContact CE2-CD1 4.1Å; F261-I265 HydrophobicContact CE2-CG1 3.82Å; F261-I265 HydrophobicContact CG-CG1 4.43Å; F261-I265 HydrophobicContact CZ-CD1 4.23Å; F261-I265 HydrophobicContact CZ-CG1 3.81Å; F261-I265 VanDerWaalsContact O-CB 3.23Å; F261-I265 WeakPolarHBondContact O-CB 3.35Å; F261-I265 WeakPolarHBondContact O-CG1 3.48Å; F261-I265 PolarHBondContact O-N 3.47Å; F261-I265 VanDerWaalsContact O-N 3.12Å; I265-M268 HydrophobicContact CD1-SD 4.18Å; I265-K269 HydrophobicContact CG2-CD 4.48Å; I265-K269 WeakPolarHBondContact O-CG 3.46Å; I265-K269 PolarHBondContact O-N 2.65Å; I265-L322 HydrophobicContact CD1-CD2 3.57Å; I265-I325 HydrophobicContact CD1-CD1 3.89Å; I265-I325 HydrophobicContact CG2-CD1 3.91Å |
| 266 | E | 98.3 | Very high | 97.7 | Very high | 125 Ų | 125 | 50.2 Ų | 50.2 | 58% | 0.584 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -68.3 | -40.5 | 174 | -175.2 | 168.6 | -172.1 | 0 | 0 | 111.4 | A262 I263 T264 K269 S270 | A262-E266 WeakPolarHBondContact O-CB 3.37Å; A262-E266 PolarHBondContact O-N 2.97Å; I263-E266 PolarHBondContact O-N 2.91Å; T264-E266 VanDerWaalsContact C-N 3.33Å; T264-E266 PolarHBondContact O-N 3.49Å; E266-K269 PolarHBondContact O-N 3.34Å; E266-S270 PolarHBondContact O-N 3.43Å |
| 267 | A | 98.5 | Very high | 97.8 | Very high | 6 Ų | 6 | 51 Ų | 51 | 5% | 0.05 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59 | -48 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L238 I263 T264 K269 S270 V275 A276 | L238-A267 HydrophobicContact CD1-CB 3.88Å; L238-A267 HydrophobicContact CD2-CB 4.16Å; I263-A267 WeakPolarHBondContact O-CB 3.46Å; I263-A267 PolarHBondContact O-N 3.46Å; T264-A267 WeakPolarHBondContact O-CB 3.41Å; T264-A267 PolarHBondContact O-N 3.3Å; A267-K269 PolarHBondContact O-N 2.95Å; A267-K269 VanDerWaalsContact O-N 3.13Å; A267-S270 WeakPolarHBondContact O-CB 3.31Å; A267-S270 PolarHBondContact O-N 3.49Å; A267-V275 HydrophobicContact CB-CG1 3.94Å; A267-A276 VanDerWaalsContact O-CA 3.27Å; A267-A276 WeakPolarHBondContact O-CA 3.4Å |
| 268 | M | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.5 | -29.1 | 177.1 | -67.7 | 173 | 80 | 0 | 0 | 113.5 | T264 I265 S270 G279 I280 W283 L322 I325 L326 | T264-M268 VanDerWaalsContact O-CG 3.32Å; T264-M268 WeakPolarHBondContact O-CG 3.48Å; T264-M268 PolarHBondContact O-N 3.28Å; I265-M268 HydrophobicContact CD1-SD 4.18Å; M268-S270 VanDerWaalsContact C-N 3.32Å; M268-G279 WeakPolarHBondContact CG-O 3.44Å; M268-I280 HydrophobicContact CE-CG1 4.15Å; M268-I280 HydrophobicContact CG-CG1 4.11Å; M268-W283 VanDerWaalsContact SD-CD1 3.5Å; M268-W283 HydrophobicContact SD-CG 4.48Å; M268-L322 HydrophobicContact CE-CD2 3.89Å; M268-L322 HydrophobicContact SD-CD2 3.62Å; M268-I325 HydrophobicContact CB-CG2 3.85Å; M268-I325 HydrophobicContact CE-CB 4.39Å; M268-I325 HydrophobicContact CE-CG2 4.13Å; M268-L326 HydrophobicContact CE-CD2 3.56Å; M268-L326 HydrophobicContact CE-CG 3.96Å |
| 269 | K | 98.1 | Very high | 98.1 | Very high | 124 Ų | 124 | 44.5 Ų | 44.5 | 54% | 0.539 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -0.8 | 179.6 | -68.6 | 173.2 | -175.1 | 171.2 | 0 | 113.2 | I265 E266 A267 I325 | I265-K269 HydrophobicContact CG2-CD 4.48Å; I265-K269 WeakPolarHBondContact O-CG 3.46Å; I265-K269 PolarHBondContact O-N 2.65Å; E266-K269 PolarHBondContact O-N 3.34Å; A267-K269 PolarHBondContact O-N 2.95Å; A267-K269 VanDerWaalsContact O-N 3.13Å; K269-I325 HydrophobicContact CD-CD1 4.41Å; K269-I325 HydrophobicContact CG-CD1 4.22Å; K269-I325 HydrophobicContact CG-CG1 4.29Å; K269-I325 HydrophobicContact CG-CG2 4.19Å |
| 270 | S | 97.9 | Very high | 98.1 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 15% | 0.154 | 22% | 0.224 | C | C | . | . | trans | -63.5 | 145.1 | -178.5 | -159.4 | 0 | 0 | 0 | 0 | 111.5 | E266 A267 M268 I272 | E266-S270 PolarHBondContact O-N 3.43Å; A267-S270 WeakPolarHBondContact O-CB 3.31Å; A267-S270 PolarHBondContact O-N 3.49Å; M268-S270 VanDerWaalsContact C-N 3.32Å; S270-I272 PolarHBondContact O-N 3.02Å; S270-I272 PolarHBondContact OG-N 3.48Å | ||
| 271 | D | 96.3 | Very high | 98.2 | Very high | 147 Ų | 147 | 46.6 Ų | 46.6 | 79% | 0.786 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -81.4 | 0.2 | 167.9 | -61.6 | -45.8 | 0 | 0 | 0 | 112.1 | ||
| 272 | I | 97.6 | Very high | 98.2 | Very high | 60 Ų | 60 | 44 Ų | 44 | 31% | 0.308 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -99.9 | 111.1 | 175.3 | -57.2 | 171 | 0 | 0 | 0 | 107.8 | T231 S270 E274 V275 A276 | T231-I272 HydrophobicContact CG2-CD1 4.41Å; T231-I272 HydrophobicContact CG2-CG2 3.88Å; S270-I272 PolarHBondContact O-N 3.02Å; S270-I272 PolarHBondContact OG-N 3.48Å; I272-E274 VanDerWaalsContact C-N 3.32Å; I272-E274 HydrophobicContact CG2-CB 4.47Å; I272-E274 PolarHBondContact O-N 3.39Å; I272-V275 HydrophobicContact CB-CB 4.27Å; I272-V275 HydrophobicContact CB-CG2 4.12Å; I272-V275 HydrophobicContact CG2-CB 4.46Å; I272-V275 HydrophobicContact CG2-CG2 3.97Å; I272-V275 WeakPolarHBondContact O-CB 3.39Å; I272-V275 PolarHBondContact O-N 3.28Å; I272-A276 PolarHBondContact O-N 3.22Å |
| 273 | D | 96.9 | Very high | 98.2 | Very high | 89 Ų | 89 | 41.3 Ų | 41.3 | 48% | 0.476 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -55.8 | -43.8 | -173.4 | -65.5 | -15 | 0 | 0 | 0 | 112.9 | V275 A276 L277 P344 | D273-V275 PolarHBondContact O-N 3.28Å; D273-A276 PolarHBondContact O-N 3.25Å; D273-L277 WeakPolarHBondContact O-CB 3.39Å; D273-L277 VanDerWaalsContact O-CG 3.26Å; D273-L277 WeakPolarHBondContact O-CG 3.49Å; D273-L277 PolarHBondContact O-N 3.27Å; D273-P344 HydrophobicContact CB-CG 3.72Å |
| 274 | E | 97.4 | Very high | 98.2 | Very high | 114 Ų | 114 | 40.7 Ų | 40.7 | 53% | 0.533 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -57.4 | -32.6 | 176.8 | -62.4 | 178.1 | 168.2 | 0 | 0 | 112.9 | V235 I272 Q278 | V235-E274 HydrophobicContact CG2-CB 3.77Å; I272-E274 VanDerWaalsContact C-N 3.32Å; I272-E274 HydrophobicContact CG2-CB 4.47Å; I272-E274 PolarHBondContact O-N 3.39Å; E274-Q278 WeakPolarHBondContact O-CG 3.24Å |
| 275 | V | 98.4 | Very high | 98.2 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 4% | 0.036 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -82 | -42 | 178.4 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | T231 V235 L238 A267 I272 D273 L277 Q278 G279 | T231-V275 HydrophobicContact CG2-CG2 4.04Å; V235-V275 HydrophobicContact CG2-CG2 3.99Å; L238-V275 HydrophobicContact CD1-CG1 3.9Å; A267-V275 HydrophobicContact CB-CG1 3.94Å; I272-V275 HydrophobicContact CB-CB 4.27Å; I272-V275 HydrophobicContact CB-CG2 4.12Å; I272-V275 HydrophobicContact CG2-CB 4.46Å; I272-V275 HydrophobicContact CG2-CG2 3.97Å; I272-V275 WeakPolarHBondContact O-CB 3.39Å; I272-V275 PolarHBondContact O-N 3.28Å; D273-V275 PolarHBondContact O-N 3.28Å; V275-L277 VanDerWaalsContact C-N 3.31Å; V275-L277 PolarHBondContact O-N 3.4Å; V275-Q278 PolarHBondContact O-N 2.89Å; V275-G279 PolarHBondContact O-N 3.05Å; V275-G279 VanDerWaalsContact O-N 3.13Å |
| 276 | A | 98.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.9 | -43.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A267 I272 D273 Q278 G279 I280 P344 | A267-A276 VanDerWaalsContact O-CA 3.27Å; A267-A276 WeakPolarHBondContact O-CA 3.4Å; I272-A276 PolarHBondContact O-N 3.22Å; D273-A276 PolarHBondContact O-N 3.25Å; A276-Q278 PolarHBondContact O-N 3.25Å; A276-G279 PolarHBondContact O-N 2.73Å; A276-G279 VanDerWaalsContact O-N 3.15Å; A276-I280 WeakPolarHBondContact O-CG1 3.26Å; A276-I280 PolarHBondContact O-N 2.98Å; A276-P344 HydrophobicContact CB-CB 4.38Å; A276-P344 HydrophobicContact CB-CG 4.22Å |
| 277 | L | 98.4 | Very high | 98.2 | Very high | 28 Ų | 28 | 35 Ų | 35 | 15% | 0.147 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -55.2 | -48.6 | 175.6 | -77 | 166.2 | 0 | 0 | 0 | 111.6 | D273 V275 G279 I280 E281 P344 A347 | D273-L277 WeakPolarHBondContact O-CB 3.39Å; D273-L277 VanDerWaalsContact O-CG 3.26Å; D273-L277 WeakPolarHBondContact O-CG 3.49Å; D273-L277 PolarHBondContact O-N 3.27Å; V275-L277 VanDerWaalsContact C-N 3.31Å; V275-L277 PolarHBondContact O-N 3.4Å; L277-G279 VanDerWaalsContact C-N 3.31Å; L277-G279 PolarHBondContact O-N 3.1Å; L277-I280 PolarHBondContact O-N 3.04Å; L277-E281 VanDerWaalsContact O-CB 3.26Å; L277-E281 WeakPolarHBondContact O-CB 3.24Å; L277-E281 PolarHBondContact O-N 2.99Å; L277-P344 HydrophobicContact CD2-CG 4.5Å; L277-P344 HydrophobicContact CG-CG 4.18Å; L277-A347 HydrophobicContact CD2-CB 3.7Å |
| 278 | Q | 98.6 | Very high | 98.2 | Very high | 34 Ų | 34 | 37.7 Ų | 37.7 | 16% | 0.159 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68 | -30.5 | 179.7 | -61.2 | -53.8 | -46.7 | 0 | 0 | 113.4 | V235 L238 Q239 E274 V275 A276 F282 | V235-Q278 HydrophobicContact CG1-CG 3.99Å; L238-Q278 HydrophobicContact CB-CB 3.54Å; L238-Q278 HydrophobicContact CB-CG 4.19Å; L238-Q278 HydrophobicContact CD1-CB 3.94Å; L238-Q278 HydrophobicContact CG-CB 4.35Å; Q239-Q278 HydrophobicContact CG-CG 4.24Å; E274-Q278 WeakPolarHBondContact O-CG 3.24Å; V275-Q278 PolarHBondContact O-N 2.89Å; A276-Q278 PolarHBondContact O-N 3.25Å; Q278-F282 PolarHBondContact O-N 3.25Å; Q278-F282 VanDerWaalsContact O-N 3.12Å |
| 279 | G | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.3 | -41.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M268 V275 A276 L277 | M268-G279 WeakPolarHBondContact CG-O 3.44Å; V275-G279 PolarHBondContact O-N 3.05Å; V275-G279 VanDerWaalsContact O-N 3.13Å; A276-G279 PolarHBondContact O-N 2.73Å; A276-G279 VanDerWaalsContact O-N 3.15Å; L277-G279 VanDerWaalsContact C-N 3.31Å; L277-G279 PolarHBondContact O-N 3.1Å |
| 280 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71 | -42.5 | 177.7 | -63.9 | 166.2 | 0 | 0 | 0 | 110.5 | M268 A276 L277 F282 W283 S284 L326 T329 P344 A347 A348 C351 | M268-I280 HydrophobicContact CE-CG1 4.15Å; M268-I280 HydrophobicContact CG-CG1 4.11Å; A276-I280 WeakPolarHBondContact O-CG1 3.26Å; A276-I280 PolarHBondContact O-N 2.98Å; L277-I280 PolarHBondContact O-N 3.04Å; I280-F282 VanDerWaalsContact C-N 3.31Å; I280-F282 PolarHBondContact O-N 3.15Å; I280-W283 PolarHBondContact O-N 3.43Å; I280-W283 VanDerWaalsContact O-N 3.16Å; I280-S284 PolarHBondContact O-N 3.15Å; I280-S284 PolarHBondContact O-OG 3.5Å; I280-L326 HydrophobicContact CG1-CD2 4.35Å; I280-L326 HydrophobicContact CG2-CD2 4.33Å; I280-T329 HydrophobicContact CD1-CG2 4.27Å; I280-P344 HydrophobicContact CD1-CB 4.33Å; I280-A347 HydrophobicContact CB-CB 4.49Å; I280-A347 HydrophobicContact CD1-CB 4.32Å; I280-A347 HydrophobicContact CG2-CB 3.95Å; I280-A347 WeakPolarHBondContact CG2-O 3.3Å; I280-A348 HydrophobicContact CD1-CB 4.37Å; I280-C351 HydrophobicContact CG2-CB 3.54Å |
| 281 | E | 98.6 | Very high | 98 | Very high | 72 Ų | 72 | 35.4 Ų | 35.4 | 34% | 0.336 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -57 | -44.4 | 177 | -173.4 | 61.1 | -153.9 | 0 | 0 | 111.4 | V242 L277 W283 S284 N285 | V242-E281 HydrophobicContact CG1-CG 4.09Å; V242-E281 HydrophobicContact CG2-CB 4.4Å; V242-E281 HydrophobicContact CG2-CG 4.18Å; L277-E281 VanDerWaalsContact O-CB 3.26Å; L277-E281 WeakPolarHBondContact O-CB 3.24Å; L277-E281 PolarHBondContact O-N 2.99Å; E281-W283 VanDerWaalsContact C-N 3.29Å; E281-W283 PolarHBondContact O-N 3.15Å; E281-S284 WeakPolarHBondContact O-CB 3.46Å; E281-S284 PolarHBondContact O-N 2.91Å; E281-S284 VanDerWaalsContact O-N 3.16Å; E281-N285 WeakPolarHBondContact O-CB 3.1Å; E281-N285 PolarHBondContact O-N 3.12Å |
| 282 | F | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.009 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54.5 | -45 | 176.5 | -179 | -85.9 | 0 | 0 | 0 | 112.6 | L241 V242 M245 M256 L260 T264 Q278 I280 V286 | L241-F282 HydrophobicContact CB-CD2 4.19Å; L241-F282 HydrophobicContact CB-CE2 4.15Å; V242-F282 HydrophobicContact CG2-CB 4.04Å; V242-F282 HydrophobicContact CG2-CD2 4.42Å; M245-F282 HydrophobicContact CB-CE2 4.1Å; M245-F282 HydrophobicContact CE-CE1 4.18Å; M245-F282 HydrophobicContact CE-CE2 3.91Å; M245-F282 HydrophobicContact CE-CZ 3.36Å; M256-F282 HydrophobicContact CE-CE1 4.16Å; M256-F282 HydrophobicContact CE-CZ 4.11Å; L260-F282 HydrophobicContact CB-CZ 4.28Å; L260-F282 HydrophobicContact CD1-CZ 4.41Å; T264-F282 HydrophobicContact CG2-CB 4.09Å; T264-F282 HydrophobicContact CG2-CD1 3.57Å; T264-F282 HydrophobicContact CG2-CD2 3.85Å; T264-F282 HydrophobicContact CG2-CE1 3.84Å; T264-F282 HydrophobicContact CG2-CE2 4.1Å; T264-F282 HydrophobicContact CG2-CG 3.55Å; T264-F282 HydrophobicContact CG2-CZ 4.08Å; Q278-F282 PolarHBondContact O-N 3.25Å; Q278-F282 VanDerWaalsContact O-N 3.12Å; I280-F282 VanDerWaalsContact C-N 3.31Å; I280-F282 PolarHBondContact O-N 3.15Å; F282-V286 HydrophobicContact CD1-CG2 4.23Å; F282-V286 HydrophobicContact CE1-CG2 3.97Å; F282-V286 VanDerWaalsContact O-CG2 3.29Å; F282-V286 WeakPolarHBondContact O-CG2 3.42Å; F282-V286 PolarHBondContact O-N 3.01Å |
| 283 | W | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -78.4 | -27.4 | -179.4 | -74.4 | 105.6 | 0 | 0 | 0 | 113.1 | M256 F261 T264 M268 I280 E281 V286 C287 A318 L322 | M256-W283 HydrophobicContact SD-CH2 4.16Å; F261-W283 AromaticContact CD2-CH2 3.98Å; F261-W283 HydrophobicContact CD2-CH2 3.98Å; F261-W283 AromaticContact CD2-CZ2 3.69Å; F261-W283 HydrophobicContact CD2-CZ2 3.69Å; F261-W283 HydrophobicContact CE2-CZ2 4.24Å; T264-W283 PolarHBondContact OG1-NE1 3.12Å; M268-W283 VanDerWaalsContact SD-CD1 3.5Å; M268-W283 HydrophobicContact SD-CG 4.48Å; I280-W283 PolarHBondContact O-N 3.43Å; I280-W283 VanDerWaalsContact O-N 3.16Å; E281-W283 VanDerWaalsContact C-N 3.29Å; E281-W283 PolarHBondContact O-N 3.15Å; W283-V286 HydrophobicContact CE3-CB 4.21Å; W283-V286 HydrophobicContact CE3-CG1 4.19Å; W283-V286 HydrophobicContact CE3-CG2 4.36Å; W283-V286 HydrophobicContact CZ3-CG1 4.23Å; W283-V286 PolarHBondContact O-N 3.32Å; W283-C287 PolarHBondContact O-N 3.21Å; W283-C287 PolarHBondContact O-SG 3.36Å; W283-A318 HydrophobicContact CE3-CB 4.18Å; W283-A318 HydrophobicContact CH2-CB 3.31Å; W283-A318 HydrophobicContact CZ2-CB 3.93Å; W283-A318 HydrophobicContact CZ3-CB 3.46Å; W283-A318 VanDerWaalsContact CZ3-CB 3.46Å; W283-L322 HydrophobicContact CB-CD1 4.32Å; W283-L322 HydrophobicContact CB-CD2 4.33Å; W283-L322 HydrophobicContact CD2-CD1 3.74Å; W283-L322 HydrophobicContact CD2-CD2 3.71Å; W283-L322 HydrophobicContact CD2-CG 4.34Å; W283-L322 HydrophobicContact CE3-CD1 3.71Å; W283-L322 HydrophobicContact CE3-CD2 4.49Å; W283-L322 HydrophobicContact CG-CD1 4.01Å; W283-L322 HydrophobicContact CG-CD2 3.58Å; W283-L322 HydrophobicContact CG-CG 4.47Å; W283-L322 HydrophobicContact CZ2-CD2 4.48Å; W283-L322 HydrophobicContact CZ3-CD1 4.31Å |
| 284 | S | 98.6 | Very high | 97.6 | Very high | 7 Ų | 7 | 29.4 Ų | 29.4 | 5% | 0.049 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.3 | -50.7 | 170.4 | -55 | 0 | 0 | 0 | 0 | 110 | I280 E281 V286 C287 D288 C351 | I280-S284 PolarHBondContact O-N 3.15Å; I280-S284 PolarHBondContact O-OG 3.5Å; E281-S284 WeakPolarHBondContact O-CB 3.46Å; E281-S284 PolarHBondContact O-N 2.91Å; E281-S284 VanDerWaalsContact O-N 3.16Å; S284-V286 VanDerWaalsContact C-N 3.31Å; S284-V286 PolarHBondContact O-N 2.96Å; S284-C287 WeakPolarHBondContact O-CA 3.44Å; S284-C287 VanDerWaalsContact O-CB 3.3Å; S284-C287 WeakPolarHBondContact O-CB 3.5Å; S284-C287 PolarHBondContact O-N 3Å; S284-D288 PolarHBondContact O-N 2.99Å; S284-D288 VanDerWaalsContact O-N 3.1Å; S284-C351 VanDerWaalsContact OG-CB 3.31Å; S284-C351 WeakPolarHBondContact OG-CB 3.32Å; S284-C351 PolarHBondContact OG-SG 2.61Å |
| 285 | N | 98.3 | Very high | 97.3 | Very high | 22 Ų | 22 | 28.4 Ų | 28.4 | 12% | 0.118 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.6 | -36.4 | 175.1 | -173 | 115.5 | 0 | 0 | 0 | 112.6 | V242 S246 E281 C287 D288 E289 | V242-N285 HydrophobicContact CG1-CB 4.07Å; S246-N285 PolarHBondContact OG-ND2 3.21Å; S246-N285 PolarHBondContact OG-OD1 3.06Å; E281-N285 WeakPolarHBondContact O-CB 3.1Å; E281-N285 PolarHBondContact O-N 3.12Å; N285-C287 VanDerWaalsContact C-N 3.25Å; N285-C287 PolarHBondContact O-N 2.9Å; N285-D288 PolarHBondContact O-N 3.27Å; N285-E289 WeakPolarHBondContact ND2-CG 3.45Å; N285-E289 VanDerWaalsContact O-CG 3.3Å; N285-E289 WeakPolarHBondContact O-CG 3.37Å; N285-E289 PolarHBondContact O-N 3.16Å; N285-E289 VanDerWaalsContact O-N 3.08Å |
| 286 | V | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.4 | -36.4 | 174.3 | 168.8 | 0 | 0 | 0 | 0 | 111 | M245 F282 W283 S284 E290 A315 | M245-V286 HydrophobicContact CE-CG2 4.22Å; M245-V286 HydrophobicContact CG-CG2 3.67Å; M245-V286 HydrophobicContact SD-CG2 4.1Å; F282-V286 HydrophobicContact CD1-CG2 4.23Å; F282-V286 HydrophobicContact CE1-CG2 3.97Å; F282-V286 VanDerWaalsContact O-CG2 3.29Å; F282-V286 WeakPolarHBondContact O-CG2 3.42Å; F282-V286 PolarHBondContact O-N 3.01Å; W283-V286 HydrophobicContact CE3-CB 4.21Å; W283-V286 HydrophobicContact CE3-CG1 4.19Å; W283-V286 HydrophobicContact CE3-CG2 4.36Å; W283-V286 HydrophobicContact CZ3-CG1 4.23Å; W283-V286 PolarHBondContact O-N 3.32Å; S284-V286 VanDerWaalsContact C-N 3.31Å; S284-V286 PolarHBondContact O-N 2.96Å; V286-E290 HydrophobicContact CG1-CG 4.43Å; V286-E290 WeakPolarHBondContact O-CB 3.33Å; V286-E290 VanDerWaalsContact O-CG 3.25Å; V286-E290 WeakPolarHBondContact O-CG 3.37Å; V286-E290 PolarHBondContact O-N 2.71Å; V286-E290 VanDerWaalsContact O-N 3.1Å; V286-A315 HydrophobicContact CG1-CB 4.25Å |
| 287 | C | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.9 | -44.9 | 176.7 | -62.4 | 0 | 0 | 0 | 0 | 111.1 | W283 S284 N285 E290 M291 L354 L355 C358 | W283-C287 PolarHBondContact O-N 3.21Å; W283-C287 PolarHBondContact O-SG 3.36Å; S284-C287 WeakPolarHBondContact O-CA 3.44Å; S284-C287 VanDerWaalsContact O-CB 3.3Å; S284-C287 WeakPolarHBondContact O-CB 3.5Å; S284-C287 PolarHBondContact O-N 3Å; N285-C287 VanDerWaalsContact C-N 3.25Å; N285-C287 PolarHBondContact O-N 2.9Å; C287-E290 PolarHBondContact O-N 3.16Å; C287-M291 VanDerWaalsContact O-CG 3.31Å; C287-M291 WeakPolarHBondContact O-CG 3.25Å; C287-M291 PolarHBondContact O-N 2.71Å; C287-L354 HydrophobicContact CB-CB 3.77Å; C287-L355 VanDerWaalsContact SG-CD2 3.53Å; C287-C358 HydrophobicContact CB-CB 3.92Å |
| 288 | D | 97.8 | Very high | 96 | Very high | 62 Ų | 62 | 33.9 Ų | 33.9 | 33% | 0.332 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58 | -52.4 | 178.2 | -63.9 | -33.9 | 0 | 0 | 0 | 111.5 | S284 N285 E290 M291 D292 L354 | S284-D288 PolarHBondContact O-N 2.99Å; S284-D288 VanDerWaalsContact O-N 3.1Å; N285-D288 PolarHBondContact O-N 3.27Å; D288-E290 VanDerWaalsContact C-N 3.29Å; D288-E290 PolarHBondContact O-N 3.3Å; D288-M291 PolarHBondContact O-N 3.49Å; D288-M291 VanDerWaalsContact O-N 3.12Å; D288-M291 WeakPolarHBondContact OD1-CE 3.36Å; D288-D292 PolarHBondContact O-N 3.28Å; D288-L354 WeakPolarHBondContact OD1-CD2 3.35Å |
| 289 | E | 97.1 | Very high | 95.3 | Very high | 46 Ų | 46 | 37 Ų | 37 | 22% | 0.215 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.8 | -40.5 | 177 | -66.9 | -68.5 | 153.5 | 0 | 0 | 112.3 | S246 Y249 N285 L293 | S246-E289 VanDerWaalsContact CA-OE1 3.24Å; S246-E289 WeakPolarHBondContact CA-OE1 3.27Å; S246-E289 VanDerWaalsContact CB-OE1 3.28Å; S246-E289 WeakPolarHBondContact CB-OE1 3.49Å; Y249-E289 HydrophobicContact CD2-CB 4.12Å; Y249-E289 HydrophobicContact CE2-CB 4.47Å; N285-E289 WeakPolarHBondContact ND2-CG 3.45Å; N285-E289 VanDerWaalsContact O-CG 3.3Å; N285-E289 WeakPolarHBondContact O-CG 3.37Å; N285-E289 PolarHBondContact O-N 3.16Å; N285-E289 VanDerWaalsContact O-N 3.08Å; E289-L293 WeakPolarHBondContact O-CB 3.33Å; E289-L293 WeakPolarHBondContact O-CD1 3.43Å; E289-L293 WeakPolarHBondContact O-CG 3.48Å; E289-L293 PolarHBondContact O-N 2.94Å |
| 290 | E | 98.3 | Very high | 94.7 | Very high | 7 Ų | 7 | 37.2 Ų | 37.2 | 3% | 0.033 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -74.2 | -27.3 | -179.5 | -71.4 | -174 | 174 | 0 | 0 | 113.2 | Y249 V286 C287 D288 A294 S311 F313 Y314 A315 | Y249-E290 HydrophobicContact CE2-CG 3.93Å; Y249-E290 WeakPolarHBondContact OH-CG 3.24Å; Y249-E290 PolarHBondContact OH-OE1 3.13Å; V286-E290 HydrophobicContact CG1-CG 4.43Å; V286-E290 WeakPolarHBondContact O-CB 3.33Å; V286-E290 VanDerWaalsContact O-CG 3.25Å; V286-E290 WeakPolarHBondContact O-CG 3.37Å; V286-E290 PolarHBondContact O-N 2.71Å; V286-E290 VanDerWaalsContact O-N 3.1Å; C287-E290 PolarHBondContact O-N 3.16Å; D288-E290 VanDerWaalsContact C-N 3.29Å; D288-E290 PolarHBondContact O-N 3.3Å; E290-A294 WeakPolarHBondContact O-CB 3.36Å; E290-A294 PolarHBondContact O-N 3.3Å; E290-A294 VanDerWaalsContact O-N 3.11Å; E290-S311 WeakPolarHBondContact CG-OG 3.33Å; E290-F313 WeakPolarHBondContact OE1-CA 3.41Å; E290-F313 PolarHBondContact OE1-N 2.76Å; E290-F313 WeakPolarHBondContact OE2-CA 3.27Å; E290-Y314 WeakPolarHBondContact OE1-CB 3.36Å; E290-Y314 PolarHBondContact OE1-N 3.37Å; E290-Y314 PolarHBondContact OE2-N 3.43Å; E290-A315 VanDerWaalsContact OE2-CB 3.31Å; E290-A315 WeakPolarHBondContact OE2-CB 3.26Å; E290-A315 PolarHBondContact OE2-N 2.84Å |
| 291 | M | 96.3 | Very high | 94.3 | Very high | 45 Ų | 45 | 41.5 Ų | 41.5 | 22% | 0.222 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.8 | -45.9 | 170.9 | -72.6 | -174.3 | -62.3 | 0 | 0 | 111 | C287 D288 L293 A294 I295 L354 T357 C358 | C287-M291 VanDerWaalsContact O-CG 3.31Å; C287-M291 WeakPolarHBondContact O-CG 3.25Å; C287-M291 PolarHBondContact O-N 2.71Å; D288-M291 PolarHBondContact O-N 3.49Å; D288-M291 VanDerWaalsContact O-N 3.12Å; D288-M291 WeakPolarHBondContact OD1-CE 3.36Å; M291-L293 VanDerWaalsContact C-N 3.34Å; M291-L293 PolarHBondContact O-N 3.08Å; M291-A294 WeakPolarHBondContact O-CA 3.21Å; M291-A294 WeakPolarHBondContact O-CB 3.37Å; M291-A294 PolarHBondContact O-N 2.97Å; M291-I295 WeakPolarHBondContact O-CG1 3.38Å; M291-I295 PolarHBondContact O-N 3.41Å; M291-L354 HydrophobicContact CE-CD2 3.81Å; M291-T357 PolarHBondContact SD-OG1 2.93Å; M291-C358 HydrophobicContact CG-CB 3.88Å; M291-C358 HydrophobicContact SD-CB 4.24Å |
| 292 | D | 92.6 | Very high | 93.5 | Very high | 99 Ų | 99 | 43.8 Ų | 43.8 | 53% | 0.529 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.2 | -43.2 | 176.4 | -72.2 | -18.6 | 0 | 0 | 0 | 111.5 | D288 A294 I295 E296 | D288-D292 PolarHBondContact O-N 3.28Å; D292-A294 PolarHBondContact O-N 2.94Å; D292-I295 WeakPolarHBondContact O-CB 3.35Å; D292-I295 PolarHBondContact O-N 3.18Å; D292-I295 VanDerWaalsContact O-N 3.14Å; D292-E296 PolarHBondContact O-N 3.44Å |
| 293 | L | 94.7 | Very high | 92.7 | Very high | 15 Ų | 15 | 49.3 Ų | 49.3 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.3 | -28.3 | 174.1 | -70.5 | 170.3 | 0 | 0 | 0 | 112.9 | Y249 E289 M291 A297 H309 | Y249-L293 HydrophobicContact CD1-CD1 3.85Å; Y249-L293 HydrophobicContact CE1-CD1 3.7Å; Y249-L293 HydrophobicContact CG-CD1 4.38Å; E289-L293 WeakPolarHBondContact O-CB 3.33Å; E289-L293 WeakPolarHBondContact O-CD1 3.43Å; E289-L293 WeakPolarHBondContact O-CG 3.48Å; E289-L293 PolarHBondContact O-N 2.94Å; M291-L293 VanDerWaalsContact C-N 3.34Å; M291-L293 PolarHBondContact O-N 3.08Å; L293-A297 VanDerWaalsContact O-CB 3.31Å; L293-A297 WeakPolarHBondContact O-CB 3.45Å; L293-A297 PolarHBondContact O-N 3.25Å; L293-H309 HydrophobicContact CD2-CB 3.39Å |
| 294 | A | 94.4 | Very high | 92.1 | Very high | 56 Ų | 56 | 52.7 Ų | 52.7 | 46% | 0.463 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -73.1 | -37.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E290 M291 D292 A297 S298 | E290-A294 WeakPolarHBondContact O-CB 3.36Å; E290-A294 PolarHBondContact O-N 3.3Å; E290-A294 VanDerWaalsContact O-N 3.11Å; M291-A294 WeakPolarHBondContact O-CA 3.21Å; M291-A294 WeakPolarHBondContact O-CB 3.37Å; M291-A294 PolarHBondContact O-N 2.97Å; D292-A294 PolarHBondContact O-N 2.94Å; A294-A297 PolarHBondContact O-N 3.01Å; A294-S298 WeakPolarHBondContact O-CB 3.47Å; A294-S298 PolarHBondContact O-N 3.09Å |
| 295 | I | 90.1 | Very high | 91.6 | Very high | 94 Ų | 94 | 57.9 Ų | 57.9 | 48% | 0.482 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.8 | -50.9 | 172.3 | -64.1 | 168.1 | 0 | 0 | 0 | 109.7 | M291 D292 A297 S298 E299 | M291-I295 WeakPolarHBondContact O-CG1 3.38Å; M291-I295 PolarHBondContact O-N 3.41Å; D292-I295 WeakPolarHBondContact O-CB 3.35Å; D292-I295 PolarHBondContact O-N 3.18Å; D292-I295 VanDerWaalsContact O-N 3.14Å; I295-A297 VanDerWaalsContact C-N 3.29Å; I295-A297 PolarHBondContact O-N 3.32Å; I295-S298 WeakPolarHBondContact O-CA 3.47Å; I295-S298 VanDerWaalsContact O-CB 3.32Å; I295-S298 WeakPolarHBondContact O-CB 3.42Å; I295-S298 PolarHBondContact O-N 2.96Å; I295-E299 HydrophobicContact CG2-CG 4.47Å; I295-E299 WeakPolarHBondContact O-CG 3.45Å; I295-E299 PolarHBondContact O-N 2.85Å |
| 296 | E | 88.6 | Confident | 91.2 | Very high | 48 Ų | 48 | 62 Ų | 62 | 22% | 0.224 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -55.7 | -44.1 | 177.1 | -171.1 | -166.6 | 149 | 0 | 0 | 111.4 | D292 S298 E299 A300 P307 E308 H309 | D292-E296 PolarHBondContact O-N 3.44Å; E296-S298 VanDerWaalsContact C-N 3.33Å; E296-S298 PolarHBondContact O-N 3.18Å; E296-E299 PolarHBondContact O-N 2.88Å; E296-A300 VanDerWaalsContact O-CB 3.31Å; E296-A300 WeakPolarHBondContact O-CB 3.41Å; E296-A300 PolarHBondContact O-N 3.18Å; E296-P307 HydrophobicContact CG-CB 4.32Å; E296-E308 WeakPolarHBondContact OE1-CA 3.49Å; E296-E308 WeakPolarHBondContact OE1-CB 3.24Å; E296-E308 PolarHBondContact OE1-N 2.86Å; E296-H309 PolarHBondContact OE1-N 3.09Å; E296-H309 IonicContact OE1-ND1 2.7Å; E296-H309 IonicContact OE2-CG 3.59Å; E296-H309 IonicContact OE2-ND1 3.41Å; E296-H309 PolarHBondContact OE2-ND1 2.95Å |
| 297 | A | 91.4 | Very high | 90.9 | Very high | 41 Ų | 41 | 63.9 Ų | 63.9 | 34% | 0.339 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.7 | -37.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L293 A294 I295 S301 P307 | L293-A297 VanDerWaalsContact O-CB 3.31Å; L293-A297 WeakPolarHBondContact O-CB 3.45Å; L293-A297 PolarHBondContact O-N 3.25Å; A294-A297 PolarHBondContact O-N 3.01Å; I295-A297 VanDerWaalsContact C-N 3.29Å; I295-A297 PolarHBondContact O-N 3.32Å; A297-S301 VanDerWaalsContact O-CB 3.25Å; A297-S301 WeakPolarHBondContact O-CB 3.49Å; A297-S301 PolarHBondContact O-N 3.49Å; A297-S301 VanDerWaalsContact O-N 3.09Å; A297-P307 HydrophobicContact CB-CG 4.4Å |
| 298 | S | 88.6 | Confident | 90.4 | Very high | 60 Ų | 60 | 70.3 Ų | 70.3 | 42% | 0.42 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65 | -47.8 | 176 | -168.3 | 0 | 0 | 0 | 0 | 111.2 | A294 I295 E296 S301 E302 | A294-S298 WeakPolarHBondContact O-CB 3.47Å; A294-S298 PolarHBondContact O-N 3.09Å; I295-S298 WeakPolarHBondContact O-CA 3.47Å; I295-S298 VanDerWaalsContact O-CB 3.32Å; I295-S298 WeakPolarHBondContact O-CB 3.42Å; I295-S298 PolarHBondContact O-N 2.96Å; E296-S298 VanDerWaalsContact C-N 3.33Å; E296-S298 PolarHBondContact O-N 3.18Å; S298-S301 WeakPolarHBondContact O-CB 3.38Å; S298-S301 PolarHBondContact O-N 2.87Å; S298-E302 WeakPolarHBondContact O-CG 3.44Å; S298-E302 PolarHBondContact O-N 2.99Å |
| 299 | E | 84.2 | Confident | 90.1 | Very high | 101 Ų | 101 | 71.1 Ų | 71.1 | 47% | 0.472 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 178.8 | -68.8 | 178.7 | 175.7 | 0 | 0 | 112.4 | I295 E296 S301 E302 Q303 | I295-E299 HydrophobicContact CG2-CG 4.47Å; I295-E299 WeakPolarHBondContact O-CG 3.45Å; I295-E299 PolarHBondContact O-N 2.85Å; E296-E299 PolarHBondContact O-N 2.88Å; E299-S301 VanDerWaalsContact C-N 3.31Å; E299-S301 PolarHBondContact O-N 3.45Å; E299-E302 PolarHBondContact O-N 2.82Å; E299-Q303 WeakPolarHBondContact O-CG 3.34Å; E299-Q303 PolarHBondContact O-N 3.01Å |
| 300 | A | 86.2 | Confident | 90 | Very high | 3 Ų | 3 | 72.7 Ų | 72.7 | 3% | 0.025 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E296 E302 Q303 G304 R305 P307 | E296-A300 VanDerWaalsContact O-CB 3.31Å; E296-A300 WeakPolarHBondContact O-CB 3.41Å; E296-A300 PolarHBondContact O-N 3.18Å; A300-E302 PolarHBondContact O-N 3.03Å; A300-Q303 CarbonylContact O-C 3.15Å; A300-Q303 PolarHBondContact O-N 3.14Å; A300-G304 PolarHBondContact O-N 3.42Å; A300-R305 CarbonylContact C-O 3.55Å; A300-R305 HydrophobicContact CB-CG 4.12Å; A300-R305 WeakPolarHBondContact CB-O 3.39Å; A300-R305 PolarHBondContact O-N 2.88Å; A300-P307 HydrophobicContact CB-CB 3.89Å |
| 301 | S | 89.4 | Confident | 90 | Very high | 90 Ų | 90 | 72.9 Ų | 72.9 | 63% | 0.629 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -60.8 | -43.8 | 176.3 | -177.4 | 0 | 0 | 0 | 0 | 112.2 | A297 S298 E299 Q303 G304 | A297-S301 VanDerWaalsContact O-CB 3.25Å; A297-S301 WeakPolarHBondContact O-CB 3.49Å; A297-S301 PolarHBondContact O-N 3.49Å; A297-S301 VanDerWaalsContact O-N 3.09Å; S298-S301 WeakPolarHBondContact O-CB 3.38Å; S298-S301 PolarHBondContact O-N 2.87Å; E299-S301 VanDerWaalsContact C-N 3.31Å; E299-S301 PolarHBondContact O-N 3.45Å; S301-Q303 VanDerWaalsContact C-N 3.29Å; S301-Q303 PolarHBondContact O-N 3.11Å; S301-G304 PolarHBondContact O-N 3.17Å |
| 302 | E | 83.2 | Confident | 90 | Very high | 120 Ų | 120 | 74.7 Ų | 74.7 | 56% | 0.561 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.9 | -32.8 | 176.1 | -72.2 | -178.6 | 176.7 | 0 | 0 | 112.9 | S298 E299 A300 G304 K854 | S298-E302 WeakPolarHBondContact O-CG 3.44Å; S298-E302 PolarHBondContact O-N 2.99Å; E299-E302 PolarHBondContact O-N 2.82Å; A300-E302 PolarHBondContact O-N 3.03Å; E302-G304 VanDerWaalsContact C-N 3.27Å; E302-K854 VanDerWaalsContact CD-CE 3.48Å; E302-K854 WeakPolarHBondContact OE1-CE 3.05Å; E302-K854 IonicContact OE1-NZ 3.66Å; E302-K854 PolarHBondContact OE1-NZ 3.22Å; E302-K854 WeakPolarHBondContact OE2-CE 3.23Å; E302-K854 IonicContact OE2-NZ 3.82Å; E302-K854 PolarHBondContact OE2-NZ 3.03Å |
| 303 | Q | 80.3 | Confident | 90.3 | Very high | 119 Ų | 119 | 76 Ų | 76 | 56% | 0.556 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -79.3 | -9 | 173.6 | -65.9 | 174.9 | 17.6 | 0 | 0 | 113.1 | E299 A300 S301 R305 | E299-Q303 WeakPolarHBondContact O-CG 3.34Å; E299-Q303 PolarHBondContact O-N 3.01Å; A300-Q303 CarbonylContact O-C 3.15Å; A300-Q303 PolarHBondContact O-N 3.14Å; S301-Q303 VanDerWaalsContact C-N 3.29Å; S301-Q303 PolarHBondContact O-N 3.11Å; Q303-R305 VanDerWaalsContact C-N 3.33Å; Q303-R305 HydrophobicContact CB-CG 4.13Å |
| 304 | G | 87.7 | Confident | 90.5 | Very high | 72 Ų | 72 | 76.5 Ų | 76.5 | 74% | 0.742 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 24.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | A300 S301 E302 | A300-G304 PolarHBondContact O-N 3.42Å; S301-G304 PolarHBondContact O-N 3.17Å; E302-G304 VanDerWaalsContact C-N 3.27Å |
| 305 | R | 87.8 | Confident | 90.7 | Very high | 116 Ų | 116 | 73.9 Ų | 73.9 | 44% | 0.438 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -116.7 | 155.3 | 175.3 | 67.1 | 174.6 | 178.1 | 132.8 | -5.7 | 110.9 | A300 Q303 E308 | A300-R305 CarbonylContact C-O 3.55Å; A300-R305 HydrophobicContact CB-CG 4.12Å; A300-R305 WeakPolarHBondContact CB-O 3.39Å; A300-R305 PolarHBondContact O-N 2.88Å; Q303-R305 VanDerWaalsContact C-N 3.33Å; Q303-R305 HydrophobicContact CB-CG 4.13Å; R305-E308 IonicContact NH1-OE1 3.92Å; R305-E308 PolarHBondContact NH1-OE1 3.12Å |
| 306 | P | 90 | Very high | 91 | Very high | 109 Ų | 109 | 74.5 Ų | 74.5 | 71% | 0.708 | 40% | 0.4 | S | S | * | . | trans | -68.4 | 149.4 | 167.3 | 30.1 | -34 | 0 | 0 | 0 | 110.2 | ||||
| 307 | P | 91.3 | Very high | 91.4 | Very high | 39 Ų | 39 | 74.9 Ų | 74.9 | 25% | 0.253 | 42% | 0.418 | S | S | . | . | trans | -67.9 | 157.1 | 172 | 31.6 | -35.7 | 0 | 0 | 0 | 110.6 | E296 A297 A300 H309 | E296-P307 HydrophobicContact CG-CB 4.32Å; A297-P307 HydrophobicContact CB-CG 4.4Å; A300-P307 HydrophobicContact CB-CB 3.89Å; P307-H309 WeakPolarHBondContact CB-O 3.4Å | ||
| 308 | E | 89.4 | Confident | 91.8 | Very high | 135 Ų | 135 | 73.1 Ų | 73.1 | 63% | 0.631 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -78.5 | -37.2 | -179.7 | -64.1 | -178.3 | -164.3 | 0 | 0 | 110.4 | E296 R305 | E296-E308 WeakPolarHBondContact OE1-CA 3.49Å; E296-E308 WeakPolarHBondContact OE1-CB 3.24Å; E296-E308 PolarHBondContact OE1-N 2.86Å; R305-E308 IonicContact NH1-OE1 3.92Å; R305-E308 PolarHBondContact NH1-OE1 3.12Å |
| 309 | H | 91.6 | Very high | 92.2 | Very high | 78 Ų | 78 | 70.4 Ų | 70.4 | 36% | 0.361 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -114.6 | 155.8 | 174.4 | -51.5 | 98.1 | 0 | 0 | 0 | 110.9 | L293 E296 P307 | L293-H309 HydrophobicContact CD2-CB 3.39Å; E296-H309 PolarHBondContact OE1-N 3.09Å; E296-H309 IonicContact OE1-ND1 2.7Å; E296-H309 IonicContact OE2-CG 3.59Å; E296-H309 IonicContact OE2-ND1 3.41Å; E296-H309 PolarHBondContact OE2-ND1 2.95Å; P307-H309 WeakPolarHBondContact CB-O 3.4Å |
| 310 | T | 94.7 | Very high | 92.8 | Very high | 79 Ų | 79 | 70.6 Ų | 70.6 | 49% | 0.485 | 39% | 0.385 | S | S | . | . | trans | -138.2 | 131.5 | -179.8 | -52.2 | 0 | 0 | 0 | 0 | 110.5 | Q250 | Q250-T310 PolarHBondContact NE2-O 3.45Š| ||
| 311 | S | 96.9 | Very high | 93.4 | Very high | 12 Ų | 12 | 76.1 Ų | 76.1 | 8% | 0.084 | 41% | 0.406 | C | S | . | . | trans | -63.7 | 147.6 | 173.4 | 176.9 | 0 | 0 | 0 | 0 | 111.9 | E290 F313 | E290-S311 WeakPolarHBondContact CG-OG 3.33Å; S311-F313 PolarHBondContact OG-N 3.1Å; S311-F313 VanDerWaalsContact OG-N 3.11Å | ||
| 312 | K | 97.9 | Very high | 93.8 | Very high | 82 Ų | 82 | 71.9 Ų | 71.9 | 36% | 0.357 | 38% | 0.376 | S | S | . | . | trans | -104.4 | -2.3 | 174.4 | -57.7 | -66.5 | 176.8 | 159.6 | 0 | 112.3 | Y249 E253 Y314 | Y249-K312 HydrophobicContact CE1-CB 4.33Å; Y249-K312 HydrophobicContact CE1-CG 3.99Å; Y249-K312 PolarHBondContact OH-N 2.92Å; E253-K312 WeakPolarHBondContact OE2-CE 3.23Å; E253-K312 IonicContact OE2-NZ 3.78Å; E253-K312 PolarHBondContact OE2-NZ 3.44Å; K312-Y314 VanDerWaalsContact C-N 3.31Å; K312-Y314 HydrophobicContact CB-CD1 4.12Å; K312-Y314 HydrophobicContact CB-CD2 4.21Å; K312-Y314 HydrophobicContact CB-CE1 3.63Å; K312-Y314 HydrophobicContact CB-CE2 3.74Å; K312-Y314 HydrophobicContact CB-CG 4.38Å; K312-Y314 VanDerWaalsContact CB-CZ 3.41Å; K312-Y314 HydrophobicContact CG-CE1 4.42Å; K312-Y314 HydrophobicContact CG-CE2 4.17Å; K312-Y314 WeakPolarHBondContact CG-OH 3.16Å; K312-Y314 PolarHBondContact O-N 3.15Å | ||
| 313 | F | 97.8 | Very high | 94.6 | Very high | 127 Ų | 127 | 66.2 Ų | 66.2 | 56% | 0.557 | 35% | 0.349 | S | S | * | . | trans | 55.6 | 42.7 | 176.9 | -52.3 | -81.9 | 0 | 0 | 0 | 112.9 | E290 S311 A315 K316 G317 | E290-F313 WeakPolarHBondContact OE1-CA 3.41Å; E290-F313 PolarHBondContact OE1-N 2.76Å; E290-F313 WeakPolarHBondContact OE2-CA 3.27Å; S311-F313 PolarHBondContact OG-N 3.1Å; S311-F313 VanDerWaalsContact OG-N 3.11Å; F313-A315 VanDerWaalsContact C-N 3.33Å; F313-K316 HydrophobicContact CB-CB 4.2Å; F313-K316 PolarHBondContact O-N 3.27Å; F313-G317 PolarHBondContact O-N 3.22Å | ||
| 314 | Y | 98.6 | Very high | 95.4 | Very high | 26 Ų | 26 | 64 Ų | 64 | 10% | 0.102 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61 | -40.7 | 175.3 | -61.7 | -47.7 | 0 | 0 | 0 | 111.7 | Y249 E253 M256 E290 K312 K316 G317 A318 | Y249-Y314 HydrophobicContact CE1-CE2 4.24Å; Y249-Y314 AromaticContact CE2-CD2 3.69Å; Y249-Y314 HydrophobicContact CE2-CD2 3.69Å; Y249-Y314 AromaticContact CE2-CE2 3.87Å; Y249-Y314 HydrophobicContact CE2-CE2 3.87Å; Y249-Y314 AromaticContact CZ-CD2 3.72Å; Y249-Y314 AromaticContact CZ-CE2 3.68Å; Y249-Y314 WeakPolarHBondContact OH-CD2 3.26Å; E253-Y314 WeakPolarHBondContact CA-OH 3.39Å; E253-Y314 WeakPolarHBondContact CB-OH 3.26Å; E253-Y314 PolarHBondContact N-OH 2.77Å; M256-Y314 HydrophobicContact CB-CD1 4.36Å; M256-Y314 HydrophobicContact CB-CE1 3.98Å; M256-Y314 HydrophobicContact CE-CD1 4.29Å; M256-Y314 HydrophobicContact CE-CD2 3.78Å; M256-Y314 HydrophobicContact CE-CE2 4.19Å; M256-Y314 HydrophobicContact CE-CG 3.83Å; M256-Y314 HydrophobicContact CG-CD1 3.69Å; M256-Y314 HydrophobicContact CG-CE1 3.82Å; M256-Y314 HydrophobicContact CG-CG 4.19Å; E290-Y314 WeakPolarHBondContact OE1-CB 3.36Å; E290-Y314 PolarHBondContact OE1-N 3.37Å; E290-Y314 PolarHBondContact OE2-N 3.43Å; K312-Y314 VanDerWaalsContact C-N 3.31Å; K312-Y314 HydrophobicContact CB-CD1 4.12Å; K312-Y314 HydrophobicContact CB-CD2 4.21Å; K312-Y314 HydrophobicContact CB-CE1 3.63Å; K312-Y314 HydrophobicContact CB-CE2 3.74Å; K312-Y314 HydrophobicContact CB-CG 4.38Å; K312-Y314 VanDerWaalsContact CB-CZ 3.41Å; K312-Y314 HydrophobicContact CG-CE1 4.42Å; K312-Y314 HydrophobicContact CG-CE2 4.17Å; K312-Y314 WeakPolarHBondContact CG-OH 3.16Å; K312-Y314 PolarHBondContact O-N 3.15Å; Y314-K316 VanDerWaalsContact C-N 3.35Å; Y314-K316 PolarHBondContact O-N 2.77Å; Y314-G317 PolarHBondContact O-N 2.94Å; Y314-A318 WeakPolarHBondContact O-CB 3.49Å; Y314-A318 PolarHBondContact O-N 3Å |
| 315 | A | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58 | -50.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V286 E290 F313 G317 A318 L319 L355 | V286-A315 HydrophobicContact CG1-CB 4.25Å; E290-A315 VanDerWaalsContact OE2-CB 3.31Å; E290-A315 WeakPolarHBondContact OE2-CB 3.26Å; E290-A315 PolarHBondContact OE2-N 2.84Å; F313-A315 VanDerWaalsContact C-N 3.33Å; A315-G317 PolarHBondContact O-N 3.36Å; A315-A318 PolarHBondContact O-N 2.93Å; A315-A318 VanDerWaalsContact O-N 3.15Å; A315-L319 PolarHBondContact O-N 2.85Å; A315-L355 HydrophobicContact CB-CD2 4.12Å |
| 316 | K | 97.7 | Very high | 96.5 | Very high | 107 Ų | 107 | 55.9 Ų | 55.9 | 47% | 0.465 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.9 | -42.8 | 176.3 | -178 | 168.6 | 178.5 | 144.4 | 0 | 112.8 | F313 Y314 A318 L319 D362 | F313-K316 HydrophobicContact CB-CB 4.2Å; F313-K316 PolarHBondContact O-N 3.27Å; Y314-K316 VanDerWaalsContact C-N 3.35Å; Y314-K316 PolarHBondContact O-N 2.77Å; K316-A318 VanDerWaalsContact C-N 3.32Å; K316-A318 PolarHBondContact O-N 3.44Å; K316-L319 WeakPolarHBondContact O-CB 3.4Å; K316-D362 WeakPolarHBondContact CE-OD2 3.36Å; K316-D362 IonicContact NZ-OD2 3.92Å; K316-D362 PolarHBondContact NZ-OD2 2.91Å |
| 317 | G | 97.6 | Very high | 96.8 | Very high | 57 Ų | 57 | 50.9 Ų | 50.9 | 59% | 0.588 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -66.8 | -30.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F313 Y314 A315 | F313-G317 PolarHBondContact O-N 3.22Å; Y314-G317 PolarHBondContact O-N 2.94Å; A315-G317 PolarHBondContact O-N 3.36Å |
| 318 | A | 98.1 | Very high | 97.2 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -91.4 | -15 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | F261 W283 Y314 A315 K316 Q320 Y321 L322 | F261-A318 HydrophobicContact CD2-CB 4.32Å; F261-A318 HydrophobicContact CE2-CB 3.88Å; W283-A318 HydrophobicContact CE3-CB 4.18Å; W283-A318 HydrophobicContact CH2-CB 3.31Å; W283-A318 HydrophobicContact CZ2-CB 3.93Å; W283-A318 HydrophobicContact CZ3-CB 3.46Å; W283-A318 VanDerWaalsContact CZ3-CB 3.46Å; Y314-A318 WeakPolarHBondContact O-CB 3.49Å; Y314-A318 PolarHBondContact O-N 3Å; A315-A318 PolarHBondContact O-N 2.93Å; A315-A318 VanDerWaalsContact O-N 3.15Å; K316-A318 VanDerWaalsContact C-N 3.32Å; K316-A318 PolarHBondContact O-N 3.44Å; A318-Q320 VanDerWaalsContact C-N 3.3Å; A318-Q320 PolarHBondContact O-N 3.38Å; A318-Q320 VanDerWaalsContact O-N 3.1Å; A318-Y321 WeakPolarHBondContact O-CA 3.27Å; A318-Y321 WeakPolarHBondContact O-CB 3.24Å; A318-Y321 PolarHBondContact O-N 3.07Å; A318-L322 HydrophobicContact CB-CD1 3.73Å; A318-L322 HydrophobicContact CB-CG 4Å; A318-L322 WeakPolarHBondContact O-CG 3.42Å; A318-L322 PolarHBondContact O-N 3.13Å; A318-L322 VanDerWaalsContact O-N 3.12Å |
| 319 | L | 97.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -46.2 | -46.6 | -170.7 | -165.7 | 63.7 | 0 | 0 | 0 | 114.4 | A315 K316 Y321 L322 V323 L355 C359 D362 V363 | A315-L319 PolarHBondContact O-N 2.85Å; K316-L319 WeakPolarHBondContact O-CB 3.4Å; L319-Y321 PolarHBondContact O-N 3.06Å; L319-Y321 VanDerWaalsContact O-N 3.12Å; L319-L322 PolarHBondContact O-N 3.06Å; L319-V323 HydrophobicContact CD1-CG2 3.96Å; L319-V323 HydrophobicContact CG-CG2 4.29Å; L319-V323 WeakPolarHBondContact O-CG2 3.32Å; L319-V323 PolarHBondContact O-N 3.36Å; L319-V323 VanDerWaalsContact O-N 3.09Å; L319-L355 HydrophobicContact CD1-CB 4.15Å; L319-L355 HydrophobicContact CD1-CD1 4.29Å; L319-L355 HydrophobicContact CD1-CD2 3.89Å; L319-L355 HydrophobicContact CD1-CG 4.35Å; L319-C359 HydrophobicContact CD1-CB 4.49Å; L319-C359 HydrophobicContact CD2-CB 4.08Å; L319-D362 HydrophobicContact CD2-CB 3.84Å; L319-D362 WeakPolarHBondContact CD2-O 3.34Å; L319-V363 HydrophobicContact CD1-CG2 4.16Å |
| 320 | Q | 97.6 | Very high | 97.9 | Very high | 106 Ų | 106 | 43.4 Ų | 43.4 | 50% | 0.495 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.4 | -20.4 | -179.8 | 69.4 | 179.8 | 12.3 | 0 | 0 | 114.3 | A318 P324 | A318-Q320 VanDerWaalsContact C-N 3.3Å; A318-Q320 PolarHBondContact O-N 3.38Å; A318-Q320 VanDerWaalsContact O-N 3.1Å; Q320-P324 WeakPolarHBondContact O-CD 3.36Å |
| 321 | Y | 98.4 | Very high | 98 | Very high | 119 Ų | 119 | 40.1 Ų | 40.1 | 47% | 0.467 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -98.7 | -33.9 | 177.9 | -56.3 | -77.4 | 0 | 0 | 0 | 112.2 | F261 A318 L319 I325 | F261-Y321 AromaticContact CE2-CD2 3.98Å; F261-Y321 HydrophobicContact CE2-CD2 3.98Å; F261-Y321 HydrophobicContact CE2-CG 4.44Å; F261-Y321 HydrophobicContact CZ-CD1 4.4Å; F261-Y321 AromaticContact CZ-CD2 3.46Å; F261-Y321 HydrophobicContact CZ-CD2 3.46Å; F261-Y321 VanDerWaalsContact CZ-CD2 3.46Å; F261-Y321 AromaticContact CZ-CE2 3.94Å; F261-Y321 HydrophobicContact CZ-CE2 3.94Å; F261-Y321 AromaticContact CZ-CG 3.7Å; F261-Y321 HydrophobicContact CZ-CG 3.7Å; A318-Y321 WeakPolarHBondContact O-CA 3.27Å; A318-Y321 WeakPolarHBondContact O-CB 3.24Å; A318-Y321 PolarHBondContact O-N 3.07Å; L319-Y321 PolarHBondContact O-N 3.06Å; L319-Y321 VanDerWaalsContact O-N 3.12Å; Y321-I325 VanDerWaalsContact O-CD1 3.22Å; Y321-I325 WeakPolarHBondContact O-CD1 3.36Å; Y321-I325 WeakPolarHBondContact O-CG1 3.47Å |
| 322 | L | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.9 | -51.5 | -178.7 | -62.4 | 174.3 | 0 | 0 | 0 | 111.4 | I265 M268 W283 A318 L319 I325 L326 L355 | I265-L322 HydrophobicContact CD1-CD2 3.57Å; M268-L322 HydrophobicContact CE-CD2 3.89Å; M268-L322 HydrophobicContact SD-CD2 3.62Å; W283-L322 HydrophobicContact CB-CD1 4.32Å; W283-L322 HydrophobicContact CB-CD2 4.33Å; W283-L322 HydrophobicContact CD2-CD1 3.74Å; W283-L322 HydrophobicContact CD2-CD2 3.71Å; W283-L322 HydrophobicContact CD2-CG 4.34Å; W283-L322 HydrophobicContact CE3-CD1 3.71Å; W283-L322 HydrophobicContact CE3-CD2 4.49Å; W283-L322 HydrophobicContact CG-CD1 4.01Å; W283-L322 HydrophobicContact CG-CD2 3.58Å; W283-L322 HydrophobicContact CG-CG 4.47Å; W283-L322 HydrophobicContact CZ2-CD2 4.48Å; W283-L322 HydrophobicContact CZ3-CD1 4.31Å; A318-L322 HydrophobicContact CB-CD1 3.73Å; A318-L322 HydrophobicContact CB-CG 4Å; A318-L322 WeakPolarHBondContact O-CG 3.42Å; A318-L322 PolarHBondContact O-N 3.13Å; A318-L322 VanDerWaalsContact O-N 3.12Å; L319-L322 PolarHBondContact O-N 3.06Å; L322-I325 WeakPolarHBondContact O-CA 3.22Å; L322-I325 WeakPolarHBondContact O-CB 3.38Å; L322-I325 PolarHBondContact O-N 3.2Å; L322-L326 HydrophobicContact CB-CD1 4.31Å; L322-L326 WeakPolarHBondContact O-CG 3.3Å; L322-L326 PolarHBondContact O-N 3.47Å; L322-L355 HydrophobicContact CB-CD1 4.08Å; L322-L355 HydrophobicContact CD1-CD1 4.16Å; L322-L355 HydrophobicContact CD1-CD2 3.93Å |
| 323 | V | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -54.5 | -46.4 | -173.3 | 169.7 | 0 | 0 | 0 | 0 | 113.1 | L319 I325 L326 T327 L352 V363 H366 V367 | L319-V323 HydrophobicContact CD1-CG2 3.96Å; L319-V323 HydrophobicContact CG-CG2 4.29Å; L319-V323 WeakPolarHBondContact O-CG2 3.32Å; L319-V323 PolarHBondContact O-N 3.36Å; L319-V323 VanDerWaalsContact O-N 3.09Å; V323-I325 VanDerWaalsContact C-N 3.29Å; V323-I325 PolarHBondContact O-N 3.24Å; V323-L326 PolarHBondContact O-N 3.2Å; V323-T327 HydrophobicContact CG1-CG2 4.24Å; V323-T327 WeakPolarHBondContact O-CB 3.2Å; V323-T327 WeakPolarHBondContact O-CG2 3.4Å; V323-T327 PolarHBondContact O-N 3.36Å; V323-T327 PolarHBondContact O-OG1 2.95Å; V323-L352 HydrophobicContact CG2-CD1 4.26Å; V323-V363 HydrophobicContact CG2-CG2 4.26Å; V323-H366 HydrophobicContact CB-CB 4Å; V323-H366 HydrophobicContact CG1-CB 3.85Å; V323-H366 HydrophobicContact CG2-CB 4.03Å; V323-V367 HydrophobicContact CG1-CB 4.4Å; V323-V367 HydrophobicContact CG1-CG2 3.54Å; V323-V367 HydrophobicContact CG2-CG2 4.24Å |
| 324 | P | 98.4 | Very high | 97.1 | Very high | 73 Ų | 73 | 38.8 Ų | 38.8 | 47% | 0.474 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.3 | -32.9 | 176.5 | -23.9 | 35.2 | 0 | 0 | 0 | 114 | Q320 T327 Q328 | Q320-P324 WeakPolarHBondContact O-CD 3.36Å; P324-T327 PolarHBondContact O-OG1 2.81Å; P324-Q328 WeakPolarHBondContact O-CB 3.18Å; P324-Q328 PolarHBondContact O-N 3.02Å |
| 325 | I | 98.6 | Very high | 96 | Very high | 17 Ų | 17 | 43.1 Ų | 43.1 | 9% | 0.087 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -73.1 | -45.9 | 178 | -58.8 | 165.3 | 0 | 0 | 0 | 109.8 | I265 M268 K269 Y321 L322 V323 Q328 T329 | I265-I325 HydrophobicContact CD1-CD1 3.89Å; I265-I325 HydrophobicContact CG2-CD1 3.91Å; M268-I325 HydrophobicContact CB-CG2 3.85Å; M268-I325 HydrophobicContact CE-CB 4.39Å; M268-I325 HydrophobicContact CE-CG2 4.13Å; K269-I325 HydrophobicContact CD-CD1 4.41Å; K269-I325 HydrophobicContact CG-CD1 4.22Å; K269-I325 HydrophobicContact CG-CG1 4.29Å; K269-I325 HydrophobicContact CG-CG2 4.19Å; Y321-I325 VanDerWaalsContact O-CD1 3.22Å; Y321-I325 WeakPolarHBondContact O-CD1 3.36Å; Y321-I325 WeakPolarHBondContact O-CG1 3.47Å; L322-I325 WeakPolarHBondContact O-CA 3.22Å; L322-I325 WeakPolarHBondContact O-CB 3.38Å; L322-I325 PolarHBondContact O-N 3.2Å; V323-I325 VanDerWaalsContact C-N 3.29Å; V323-I325 PolarHBondContact O-N 3.24Å; I325-Q328 PolarHBondContact O-N 3.02Å; I325-T329 WeakPolarHBondContact O-CB 3.45Å; I325-T329 PolarHBondContact O-N 2.88Å; I325-T329 PolarHBondContact O-OG1 3.3Å |
| 326 | L | 98.7 | Very high | 95 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.2 | -50.7 | -179.1 | -65.9 | 174 | 0 | 0 | 0 | 111.2 | M268 I280 L322 V323 Q328 T329 L330 A348 C351 L352 L355 | M268-L326 HydrophobicContact CE-CD2 3.56Å; M268-L326 HydrophobicContact CE-CG 3.96Å; I280-L326 HydrophobicContact CG1-CD2 4.35Å; I280-L326 HydrophobicContact CG2-CD2 4.33Å; L322-L326 HydrophobicContact CB-CD1 4.31Å; L322-L326 WeakPolarHBondContact O-CG 3.3Å; L322-L326 PolarHBondContact O-N 3.47Å; V323-L326 PolarHBondContact O-N 3.2Å; L326-Q328 VanDerWaalsContact C-N 3.28Å; L326-Q328 PolarHBondContact O-N 3.19Å; L326-T329 CarbonylContact O-C 3.57Å; L326-T329 WeakPolarHBondContact O-CA 3.47Å; L326-T329 WeakPolarHBondContact O-CB 3.39Å; L326-T329 PolarHBondContact O-N 3.19Å; L326-L330 WeakPolarHBondContact O-CG 3.47Å; L326-L330 PolarHBondContact O-N 2.63Å; L326-A348 HydrophobicContact CB-CB 4.44Å; L326-A348 HydrophobicContact CD2-CB 3.91Å; L326-C351 HydrophobicContact CD1-CB 4.31Å; L326-C351 HydrophobicContact CD2-CB 3.99Å; L326-L352 HydrophobicContact CD1-CB 4.49Å; L326-L352 HydrophobicContact CD1-CD1 4.46Å; L326-L355 HydrophobicContact CD1-CD1 3.4Å |
| 327 | T | 98.1 | Very high | 93.7 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.031 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61 | -34.3 | 177.9 | 50 | 0 | 0 | 0 | 0 | 113.4 | V323 P324 F370 A389 | V323-T327 HydrophobicContact CG1-CG2 4.24Å; V323-T327 WeakPolarHBondContact O-CB 3.2Å; V323-T327 WeakPolarHBondContact O-CG2 3.4Å; V323-T327 PolarHBondContact O-N 3.36Å; V323-T327 PolarHBondContact O-OG1 2.95Å; P324-T327 PolarHBondContact O-OG1 2.81Å; T327-F370 HydrophobicContact CG2-CB 4.41Å; T327-F370 HydrophobicContact CG2-CD1 4.03Å; T327-F370 HydrophobicContact CG2-CE1 4.48Å; T327-F370 HydrophobicContact CG2-CG 4.13Å; T327-F370 WeakPolarHBondContact O-CZ 3.11Å; T327-A389 HydrophobicContact CG2-CB 4.26Å |
| 328 | Q | 97.9 | Very high | 92.6 | Very high | 86 Ų | 86 | 48.6 Ų | 48.6 | 40% | 0.402 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -72.6 | -32.4 | 172.2 | -174 | 58.8 | 66 | 0 | 0 | 112.7 | P324 I325 L326 A331 Y382 | P324-Q328 WeakPolarHBondContact O-CB 3.18Å; P324-Q328 PolarHBondContact O-N 3.02Å; I325-Q328 PolarHBondContact O-N 3.02Å; L326-Q328 VanDerWaalsContact C-N 3.28Å; L326-Q328 PolarHBondContact O-N 3.19Å; Q328-A331 PolarHBondContact O-N 3.14Å; Q328-Y382 PolarHBondContact NE2-OH 3.01Å |
| 329 | T | 98.1 | Very high | 91.4 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -71.7 | -33.8 | 176.9 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | I280 I325 L326 A331 K332 P344 A348 | I280-T329 HydrophobicContact CD1-CG2 4.27Å; I325-T329 WeakPolarHBondContact O-CB 3.45Å; I325-T329 PolarHBondContact O-N 2.88Å; I325-T329 PolarHBondContact O-OG1 3.3Å; L326-T329 CarbonylContact O-C 3.57Å; L326-T329 WeakPolarHBondContact O-CA 3.47Å; L326-T329 WeakPolarHBondContact O-CB 3.39Å; L326-T329 PolarHBondContact O-N 3.19Å; T329-A331 PolarHBondContact O-N 3.16Å; T329-A331 VanDerWaalsContact O-N 3.16Å; T329-K332 HydrophobicContact CG2-CD 4.49Å; T329-K332 VanDerWaalsContact O-CB 3.31Å; T329-K332 WeakPolarHBondContact O-CB 3.4Å; T329-K332 PolarHBondContact O-N 3.41Å; T329-P344 HydrophobicContact CG2-CB 3.81Å; T329-P344 VanDerWaalsContact CG2-O 3.29Å; T329-P344 WeakPolarHBondContact CG2-O 3.32Å; T329-A348 HydrophobicContact CG2-CB 3.85Å |
| 330 | L | 97.8 | Very high | 90.5 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.2 | -28 | 170.1 | -71.4 | 178.7 | 0 | 0 | 0 | 112.5 | L326 K332 Q333 C345 A348 L352 A385 M388 A389 | L326-L330 WeakPolarHBondContact O-CG 3.47Å; L326-L330 PolarHBondContact O-N 2.63Å; L330-K332 PolarHBondContact O-N 3.45Å; L330-Q333 PolarHBondContact O-NE2 3Å; L330-Q333 PolarHBondContact O-OE1 3.31Å; L330-C345 WeakPolarHBondContact CD2-O 3.42Å; L330-C345 PolarHBondContact O-SG 3.22Å; L330-A348 HydrophobicContact CD2-CB 4.19Å; L330-A348 HydrophobicContact CG-CB 4.39Å; L330-L352 HydrophobicContact CD1-CD2 4.21Å; L330-A385 HydrophobicContact CB-CB 3.69Å; L330-M388 HydrophobicContact CD1-CB 4.35Å; L330-M388 HydrophobicContact CD1-CG 4.11Å; L330-M388 HydrophobicContact CD2-CG 3.74Å; L330-A389 HydrophobicContact CD1-CB 3.96Å |
| 331 | A | 96.8 | Very high | 90.1 | Very high | 10 Ų | 10 | 58.9 Ų | 58.9 | 8% | 0.083 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 10.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q328 T329 Q333 Y382 A385 | Q328-A331 PolarHBondContact O-N 3.14Å; T329-A331 PolarHBondContact O-N 3.16Å; T329-A331 VanDerWaalsContact O-N 3.16Å; A331-Q333 PolarHBondContact O-OE1 3.14Å; A331-Y382 HydrophobicContact CB-CD1 4.3Å; A331-Y382 HydrophobicContact CB-CE1 4.11Å; A331-Y382 HydrophobicContact CB-CE2 4.43Å; A331-A385 HydrophobicContact CB-CB 4.23Å |
| 332 | K | 95.1 | Very high | 89.8 | Confident | 92 Ų | 92 | 59.8 Ų | 59.8 | 40% | 0.4 | 30% | 0.304 | S | S | . | . | trans | -103.5 | 36.1 | 177.3 | -60.1 | -177.2 | 176.3 | -177.5 | 0 | 112.1 | T329 L330 | T329-K332 HydrophobicContact CG2-CD 4.49Å; T329-K332 VanDerWaalsContact O-CB 3.31Å; T329-K332 WeakPolarHBondContact O-CB 3.4Å; T329-K332 PolarHBondContact O-N 3.41Å; L330-K332 PolarHBondContact O-N 3.45Å | ||
| 333 | Q | 92.8 | Very high | 89.6 | Confident | 15 Ų | 15 | 61.2 Ų | 61.2 | 7% | 0.07 | 31% | 0.311 | C | S | . | . | trans | -62.9 | 141.6 | 178.5 | -54 | 89.9 | -21.7 | 0 | 0 | 111.9 | L330 A331 W380 R381 D384 | L330-Q333 PolarHBondContact O-NE2 3Å; L330-Q333 PolarHBondContact O-OE1 3.31Å; A331-Q333 PolarHBondContact O-OE1 3.14Å; Q333-W380 HydrophobicContact CB-CH2 3.82Å; Q333-W380 HydrophobicContact CB-CZ3 3.94Å; Q333-W380 HydrophobicContact CG-CZ3 4.22Å; Q333-R381 PolarHBondContact NE2-O 3.33Å; Q333-R381 PolarHBondContact O-NH2 3.05Å; Q333-R381 VanDerWaalsContact OE1-CB 3.29Å; Q333-D384 PolarHBondContact NE2-OD2 3.18Å | ||
| 334 | D | 85.6 | Confident | 89.5 | Confident | 86 Ų | 86 | 61.4 Ų | 61.4 | 46% | 0.46 | 31% | 0.313 | S | S | . | . | trans | -81 | 138.1 | 166.8 | -158.6 | -31.9 | 0 | 0 | 0 | 110.2 | N336 | D334-N336 VanDerWaalsContact C-N 3.33Å; D334-N336 PolarHBondContact OD1-N 3.38Å | ||
| 335 | E | 75.5 | Confident | 89.4 | Confident | 117 Ų | 117 | 58.8 Ų | 58.8 | 55% | 0.547 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -23 | 175.5 | -76.4 | 172.3 | -157.4 | 0 | 0 | 112.2 | W380 R381 | E335-W380 HydrophobicContact CG-CH2 4.12Å; E335-W380 HydrophobicContact CG-CZ2 3.5Å; E335-W380 VanDerWaalsContact CG-CZ2 3.5Å; E335-R381 IonicContact OE1-CZ 3.94Å; E335-R381 VanDerWaalsContact OE1-CZ 3.28Å; E335-R381 IonicContact OE1-NH1 3.35Å; E335-R381 PolarHBondContact OE1-NH1 2.81Å; E335-R381 IonicContact OE1-NH2 2.74Å; E335-R381 PolarHBondContact OE1-NH2 3.3Å |
| 336 | N | 77.8 | Confident | 89.2 | Confident | 143 Ų | 143 | 60.2 Ų | 60.2 | 77% | 0.765 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | 38.1 | 176 | -53.7 | -61.4 | 0 | 0 | 0 | 111.2 | D334 D338 | D334-N336 VanDerWaalsContact C-N 3.33Å; D334-N336 PolarHBondContact OD1-N 3.38Å; N336-D338 PolarHBondContact O-N 3.32Å |
| 337 | D | 70.8 | Confident | 89.2 | Confident | 54 Ų | 54 | 60.4 Ų | 60.4 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | trans | -49.6 | 120.5 | -178.8 | -162.1 | 25.9 | 0 | 0 | 0 | 110.8 | K346 | D337-K346 VanDerWaalsContact OD1-CE 3.22Å; D337-K346 WeakPolarHBondContact OD1-CE 3.3Å; D337-K346 IonicContact OD1-NZ 3.87Å; D337-K346 PolarHBondContact OD1-NZ 2.98Å | ||
| 338 | D | 74.6 | Confident | 89.2 | Confident | 83 Ų | 83 | 60.1 Ų | 60.1 | 44% | 0.444 | 30% | 0.301 | S | S | . | . | trans | -92 | 128.7 | 166 | -164.1 | -22.8 | 0 | 0 | 0 | 106.8 | N336 D340 D341 K346 | N336-D338 PolarHBondContact O-N 3.32Å; D338-D340 PolarHBondContact O-N 2.96Å; D338-D340 VanDerWaalsContact O-N 3.16Å; D338-D340 PolarHBondContact OD1-N 3.15Å; D338-D341 HydrophobicContact CB-CB 4.25Å; D338-D341 PolarHBondContact O-N 2.99Å; D338-D341 VanDerWaalsContact O-N 3.09Å; D338-K346 PolarHBondContact O-NZ 3.36Å | ||
| 339 | D | 72.3 | Confident | 89.2 | Confident | 81 Ų | 81 | 56.3 Ų | 56.3 | 43% | 0.433 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -33.2 | -176.4 | -65 | -34 | 0 | 0 | 0 | 110.7 | D341 K346 N522 | D339-D341 PolarHBondContact O-N 3.03Å; D339-K346 PolarHBondContact O-NZ 3.28Å; D339-N522 PolarHBondContact OD1-OD1 3.42Å; D339-N522 PolarHBondContact OD2-ND2 3.27Å; D339-N522 PolarHBondContact OD2-OD1 3.05Å |
| 340 | D | 78.5 | Confident | 89.2 | Confident | 151 Ų | 151 | 59 Ų | 59 | 81% | 0.807 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -13.4 | -178.1 | -69 | -26.6 | 0 | 0 | 0 | 114.1 | D338 | D338-D340 PolarHBondContact O-N 2.96Å; D338-D340 VanDerWaalsContact O-N 3.16Å; D338-D340 PolarHBondContact OD1-N 3.15Å |
| 341 | D | 88.4 | Confident | 89.2 | Confident | 96 Ų | 96 | 58.9 Ų | 58.9 | 51% | 0.513 | 30% | 0.3 | S | S | . | . | trans | -82.3 | 124.9 | -177.3 | -83.8 | -11.1 | 0 | 0 | 0 | 112 | D338 D339 K346 | D338-D341 HydrophobicContact CB-CB 4.25Å; D338-D341 PolarHBondContact O-N 2.99Å; D338-D341 VanDerWaalsContact O-N 3.09Å; D339-D341 PolarHBondContact O-N 3.03Å; D341-K346 VanDerWaalsContact O-CD 3.25Å; D341-K346 WeakPolarHBondContact O-CD 3.33Å; D341-K346 WeakPolarHBondContact O-CE 3.44Å; D341-K346 PolarHBondContact O-NZ 3.48Å | ||
| 342 | W | 92.9 | Very high | 89.3 | Confident | 138 Ų | 138 | 58.4 Ų | 58.4 | 52% | 0.523 | 30% | 0.297 | S | S | . | . | trans | -93.2 | 115.2 | 173.4 | -172.8 | -114.8 | 0 | 0 | 0 | 111.8 | K346 A347 V350 | W342-K346 HydrophobicContact CE3-CB 3.94Å; W342-K346 HydrophobicContact CZ3-CB 3.8Å; W342-A347 HydrophobicContact CH2-CB 4.26Å; W342-A347 VanDerWaalsContact CZ2-CA 3.48Å; W342-A347 HydrophobicContact CZ2-CB 3.57Å; W342-V350 HydrophobicContact CH2-CB 4.23Å; W342-V350 HydrophobicContact CH2-CG2 3.79Å; W342-V350 HydrophobicContact CZ3-CG2 4.37Å | ||
| 343 | N | 94.4 | Very high | 89.5 | Confident | 30 Ų | 30 | 56 Ų | 56 | 16% | 0.16 | 29% | 0.288 | C | S | . | . | trans | -132.3 | 166.5 | -173.8 | 67.7 | 50.3 | 0 | 0 | 0 | 112.4 | C345 K346 A347 | N343-C345 PolarHBondContact O-N 3.15Å; N343-C345 VanDerWaalsContact O-N 3.15Å; N343-C345 WeakPolarHBondContact OD1-CA 3.4Å; N343-C345 VanDerWaalsContact OD1-CB 3.29Å; N343-C345 WeakPolarHBondContact OD1-CB 3.38Å; N343-C345 PolarHBondContact OD1-N 3.27Å; N343-K346 PolarHBondContact O-N 3.19Å; N343-K346 PolarHBondContact OD1-N 2.93Å; N343-A347 PolarHBondContact O-N 3.38Å | ||
| 344 | P | 96.9 | Very high | 89.7 | Confident | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.032 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.5 | -29.5 | -177.4 | -27.2 | 34.4 | 0 | 0 | 0 | 114.9 | D273 A276 L277 I280 T329 A348 | D273-P344 HydrophobicContact CB-CG 3.72Å; A276-P344 HydrophobicContact CB-CB 4.38Å; A276-P344 HydrophobicContact CB-CG 4.22Å; L277-P344 HydrophobicContact CD2-CG 4.5Å; L277-P344 HydrophobicContact CG-CG 4.18Å; I280-P344 HydrophobicContact CD1-CB 4.33Å; T329-P344 HydrophobicContact CG2-CB 3.81Å; T329-P344 VanDerWaalsContact CG2-O 3.29Å; T329-P344 WeakPolarHBondContact CG2-O 3.32Å; P344-A348 VanDerWaalsContact O-CB 3.23Å; P344-A348 WeakPolarHBondContact O-CB 3.37Å; P344-A348 PolarHBondContact O-N 3.49Å |
| 345 | C | 96.3 | Very high | 90.3 | Very high | 17 Ų | 17 | 52.7 Ų | 52.7 | 12% | 0.115 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.2 | -50.4 | 177.4 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | L330 N343 A348 G349 | L330-C345 WeakPolarHBondContact CD2-O 3.42Å; L330-C345 PolarHBondContact O-SG 3.22Å; N343-C345 PolarHBondContact O-N 3.15Å; N343-C345 VanDerWaalsContact O-N 3.15Å; N343-C345 WeakPolarHBondContact OD1-CA 3.4Å; N343-C345 VanDerWaalsContact OD1-CB 3.29Å; N343-C345 WeakPolarHBondContact OD1-CB 3.38Å; N343-C345 PolarHBondContact OD1-N 3.27Å; C345-A348 PolarHBondContact O-N 2.94Å; C345-G349 PolarHBondContact O-N 3.21Å; C345-G349 VanDerWaalsContact O-N 3.17Å |
| 346 | K | 95 | Very high | 91.4 | Very high | 47 Ų | 47 | 47.1 Ų | 47.1 | 20% | 0.204 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.2 | -45 | 176.4 | -66.7 | -179.4 | -176.8 | 173.9 | 0 | 111.2 | D337 D338 D339 D341 W342 N343 A348 G349 V350 | D337-K346 VanDerWaalsContact OD1-CE 3.22Å; D337-K346 WeakPolarHBondContact OD1-CE 3.3Å; D337-K346 IonicContact OD1-NZ 3.87Å; D337-K346 PolarHBondContact OD1-NZ 2.98Å; D338-K346 PolarHBondContact O-NZ 3.36Å; D339-K346 PolarHBondContact O-NZ 3.28Å; D341-K346 VanDerWaalsContact O-CD 3.25Å; D341-K346 WeakPolarHBondContact O-CD 3.33Å; D341-K346 WeakPolarHBondContact O-CE 3.44Å; D341-K346 PolarHBondContact O-NZ 3.48Å; W342-K346 HydrophobicContact CE3-CB 3.94Å; W342-K346 HydrophobicContact CZ3-CB 3.8Å; N343-K346 PolarHBondContact O-N 3.19Å; N343-K346 PolarHBondContact OD1-N 2.93Å; K346-A348 VanDerWaalsContact C-N 3.32Å; K346-A348 PolarHBondContact O-N 3.25Å; K346-G349 PolarHBondContact O-N 3.07Å; K346-G349 VanDerWaalsContact O-N 3.17Å; K346-V350 PolarHBondContact O-N 2.91Å; K346-V350 VanDerWaalsContact O-N 3.16Å |
| 347 | A | 97.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 3% | 0.033 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.9 | -39.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L277 I280 W342 N343 G349 V350 C351 | L277-A347 HydrophobicContact CD2-CB 3.7Å; I280-A347 HydrophobicContact CB-CB 4.49Å; I280-A347 HydrophobicContact CD1-CB 4.32Å; I280-A347 HydrophobicContact CG2-CB 3.95Å; I280-A347 WeakPolarHBondContact CG2-O 3.3Å; W342-A347 HydrophobicContact CH2-CB 4.26Å; W342-A347 VanDerWaalsContact CZ2-CA 3.48Å; W342-A347 HydrophobicContact CZ2-CB 3.57Å; N343-A347 PolarHBondContact O-N 3.38Å; A347-G349 VanDerWaalsContact C-N 3.33Å; A347-G349 PolarHBondContact O-N 3.14Å; A347-V350 PolarHBondContact O-N 3.1Å; A347-C351 VanDerWaalsContact O-CB 3.31Å; A347-C351 WeakPolarHBondContact O-CB 3.21Å; A347-C351 PolarHBondContact O-N 2.99Å |
| 348 | A | 98.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.7 | -33.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I280 L326 T329 L330 P344 C345 K346 L352 | I280-A348 HydrophobicContact CD1-CB 4.37Å; L326-A348 HydrophobicContact CB-CB 4.44Å; L326-A348 HydrophobicContact CD2-CB 3.91Å; T329-A348 HydrophobicContact CG2-CB 3.85Å; L330-A348 HydrophobicContact CD2-CB 4.19Å; L330-A348 HydrophobicContact CG-CB 4.39Å; P344-A348 VanDerWaalsContact O-CB 3.23Å; P344-A348 WeakPolarHBondContact O-CB 3.37Å; P344-A348 PolarHBondContact O-N 3.49Å; C345-A348 PolarHBondContact O-N 2.94Å; K346-A348 VanDerWaalsContact C-N 3.32Å; K346-A348 PolarHBondContact O-N 3.25Å; A348-L352 WeakPolarHBondContact O-CB 3.47Å; A348-L352 PolarHBondContact O-N 2.94Å |
| 349 | G | 97.6 | Very high | 94.7 | Very high | 6 Ų | 6 | 37.4 Ų | 37.4 | 6% | 0.062 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.6 | -50.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | C345 K346 A347 C351 L352 M353 | C345-G349 PolarHBondContact O-N 3.21Å; C345-G349 VanDerWaalsContact O-N 3.17Å; K346-G349 PolarHBondContact O-N 3.07Å; K346-G349 VanDerWaalsContact O-N 3.17Å; A347-G349 VanDerWaalsContact C-N 3.33Å; A347-G349 PolarHBondContact O-N 3.14Å; G349-C351 PolarHBondContact O-N 3.07Å; G349-L352 PolarHBondContact O-N 2.97Å; G349-M353 WeakPolarHBondContact O-CG 3.39Å; G349-M353 PolarHBondContact O-N 3.2Å |
| 350 | V | 98 | Very high | 95.9 | Very high | 61 Ų | 61 | 39 Ų | 39 | 37% | 0.37 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.5 | -47 | 176.7 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | W342 K346 A347 L352 M353 L354 | W342-V350 HydrophobicContact CH2-CB 4.23Å; W342-V350 HydrophobicContact CH2-CG2 3.79Å; W342-V350 HydrophobicContact CZ3-CG2 4.37Å; K346-V350 PolarHBondContact O-N 2.91Å; K346-V350 VanDerWaalsContact O-N 3.16Å; A347-V350 PolarHBondContact O-N 3.1Å; V350-L352 VanDerWaalsContact C-N 3.26Å; V350-L352 PolarHBondContact O-N 3.31Å; V350-M353 WeakPolarHBondContact O-CB 3.46Å; V350-M353 PolarHBondContact O-N 3.5Å; V350-M353 VanDerWaalsContact O-N 3.1Å; V350-L354 HydrophobicContact CG1-CD1 4.06Å; V350-L354 HydrophobicContact CG1-CG 4.38Å; V350-L354 WeakPolarHBondContact O-CG 3.46Å; V350-L354 PolarHBondContact O-N 3.42Å |
| 351 | C | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60 | -36.5 | 177.3 | -171.9 | 0 | 0 | 0 | 0 | 112.3 | I280 S284 L326 A347 G349 L354 L355 | I280-C351 HydrophobicContact CG2-CB 3.54Å; S284-C351 VanDerWaalsContact OG-CB 3.31Å; S284-C351 WeakPolarHBondContact OG-CB 3.32Å; S284-C351 PolarHBondContact OG-SG 2.61Å; L326-C351 HydrophobicContact CD1-CB 4.31Å; L326-C351 HydrophobicContact CD2-CB 3.99Å; A347-C351 VanDerWaalsContact O-CB 3.31Å; A347-C351 WeakPolarHBondContact O-CB 3.21Å; A347-C351 PolarHBondContact O-N 2.99Å; G349-C351 PolarHBondContact O-N 3.07Å; C351-L354 PolarHBondContact O-N 3.45Å; C351-L355 WeakPolarHBondContact O-CB 3.48Å; C351-L355 VanDerWaalsContact O-CG 3.31Å; C351-L355 WeakPolarHBondContact O-CG 3.39Å; C351-L355 PolarHBondContact O-N 3.44Å |
| 352 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.8 | -36.8 | 176.4 | -172.3 | 62.1 | 0 | 0 | 0 | 112.4 | V323 L326 L330 A348 G349 V350 L355 A356 V363 V367 A389 I393 | V323-L352 HydrophobicContact CG2-CD1 4.26Å; L326-L352 HydrophobicContact CD1-CB 4.49Å; L326-L352 HydrophobicContact CD1-CD1 4.46Å; L330-L352 HydrophobicContact CD1-CD2 4.21Å; A348-L352 WeakPolarHBondContact O-CB 3.47Å; A348-L352 PolarHBondContact O-N 2.94Å; G349-L352 PolarHBondContact O-N 2.97Å; V350-L352 VanDerWaalsContact C-N 3.26Å; V350-L352 PolarHBondContact O-N 3.31Å; L352-L355 PolarHBondContact O-N 2.91Å; L352-A356 PolarHBondContact O-N 3.29Å; L352-V363 HydrophobicContact CD1-CG2 4.37Å; L352-V367 HydrophobicContact CD1-CG2 3.91Å; L352-A389 HydrophobicContact CD2-CB 3.9Å; L352-I393 HydrophobicContact CG-CG2 4.34Å |
| 353 | M | 98.4 | Very high | 97.4 | Very high | 43 Ų | 43 | 26.2 Ų | 26.2 | 21% | 0.212 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.5 | -47.1 | 172.4 | -70.2 | 170.7 | 48.7 | 0 | 0 | 111.7 | G349 V350 L355 A356 T357 S392 W430 | G349-M353 WeakPolarHBondContact O-CG 3.39Å; G349-M353 PolarHBondContact O-N 3.2Å; V350-M353 WeakPolarHBondContact O-CB 3.46Å; V350-M353 PolarHBondContact O-N 3.5Å; V350-M353 VanDerWaalsContact O-N 3.1Å; M353-L355 VanDerWaalsContact C-N 3.31Å; M353-L355 PolarHBondContact O-N 3.47Å; M353-A356 WeakPolarHBondContact O-CA 3.42Å; M353-A356 WeakPolarHBondContact O-CB 3.44Å; M353-A356 PolarHBondContact O-N 2.9Å; M353-T357 PolarHBondContact O-N 3.42Å; M353-T357 PolarHBondContact O-OG1 2.98Å; M353-S392 WeakPolarHBondContact CA-O 3.26Å; M353-S392 WeakPolarHBondContact CG-O 3.38Å; M353-W430 HydrophobicContact SD-CH2 4.17Å; M353-W430 HydrophobicContact SD-CZ2 4.17Å |
| 354 | L | 98.4 | Very high | 97.5 | Very high | 30 Ų | 30 | 25 Ų | 25 | 16% | 0.157 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.9 | -38.5 | 177.2 | -67.3 | 173.1 | 0 | 0 | 0 | 112 | C287 D288 M291 V350 C351 A356 T357 C358 | C287-L354 HydrophobicContact CB-CB 3.77Å; D288-L354 WeakPolarHBondContact OD1-CD2 3.35Å; M291-L354 HydrophobicContact CE-CD2 3.81Å; V350-L354 HydrophobicContact CG1-CD1 4.06Å; V350-L354 HydrophobicContact CG1-CG 4.38Å; V350-L354 WeakPolarHBondContact O-CG 3.46Å; V350-L354 PolarHBondContact O-N 3.42Å; C351-L354 PolarHBondContact O-N 3.45Å; L354-A356 VanDerWaalsContact C-N 3.28Å; L354-A356 PolarHBondContact O-N 3.2Å; L354-T357 PolarHBondContact O-N 3.04Å; L354-T357 PolarHBondContact O-OG1 2.96Å; L354-T357 VanDerWaalsContact O-OG1 3.1Å; L354-C358 WeakPolarHBondContact O-CB 3.41Å; L354-C358 PolarHBondContact O-N 3.49Å |
| 355 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.2 | -34.4 | 172.4 | -76.2 | 168.3 | 0 | 0 | 0 | 112.1 | C287 A315 L319 L322 L326 C351 L352 M353 C359 | C287-L355 VanDerWaalsContact SG-CD2 3.53Å; A315-L355 HydrophobicContact CB-CD2 4.12Å; L319-L355 HydrophobicContact CD1-CB 4.15Å; L319-L355 HydrophobicContact CD1-CD1 4.29Å; L319-L355 HydrophobicContact CD1-CD2 3.89Å; L319-L355 HydrophobicContact CD1-CG 4.35Å; L322-L355 HydrophobicContact CB-CD1 4.08Å; L322-L355 HydrophobicContact CD1-CD1 4.16Å; L322-L355 HydrophobicContact CD1-CD2 3.93Å; L326-L355 HydrophobicContact CD1-CD1 3.4Å; C351-L355 WeakPolarHBondContact O-CB 3.48Å; C351-L355 VanDerWaalsContact O-CG 3.31Å; C351-L355 WeakPolarHBondContact O-CG 3.39Å; C351-L355 PolarHBondContact O-N 3.44Å; L352-L355 PolarHBondContact O-N 2.91Å; M353-L355 VanDerWaalsContact C-N 3.31Å; M353-L355 PolarHBondContact O-N 3.47Å; L355-C359 WeakPolarHBondContact O-CB 3.44Å; L355-C359 PolarHBondContact O-N 2.89Å |
| 356 | A | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.2 | -42.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | L352 M353 L354 E360 V363 I393 E395 G396 | L352-A356 PolarHBondContact O-N 3.29Å; M353-A356 WeakPolarHBondContact O-CA 3.42Å; M353-A356 WeakPolarHBondContact O-CB 3.44Å; M353-A356 PolarHBondContact O-N 2.9Å; L354-A356 VanDerWaalsContact C-N 3.28Å; L354-A356 PolarHBondContact O-N 3.2Å; A356-E360 WeakPolarHBondContact O-CA 3.25Å; A356-E360 PolarHBondContact O-N 2.94Å; A356-V363 HydrophobicContact CB-CG1 3.94Å; A356-I393 HydrophobicContact CB-CB 4.31Å; A356-I393 HydrophobicContact CB-CG2 4.2Å; A356-E395 WeakPolarHBondContact CB-O 3.35Å; A356-G396 WeakPolarHBondContact O-CA 3.25Å |
| 357 | T | 97.3 | Very high | 97.7 | Very high | 41 Ų | 41 | 29 Ų | 29 | 25% | 0.252 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -72.7 | -33.5 | 176 | 54 | 0 | 0 | 0 | 0 | 112.8 | M291 M353 L354 E395 | M291-T357 PolarHBondContact SD-OG1 2.93Å; M353-T357 PolarHBondContact O-N 3.42Å; M353-T357 PolarHBondContact O-OG1 2.98Å; L354-T357 PolarHBondContact O-N 3.04Å; L354-T357 PolarHBondContact O-OG1 2.96Å; L354-T357 VanDerWaalsContact O-OG1 3.1Å; T357-E395 HydrophobicContact CG2-CB 4.32Å; T357-E395 HydrophobicContact CG2-CG 3.99Å |
| 358 | C | 97.7 | Very high | 97.6 | Very high | 28 Ų | 28 | 30.2 Ų | 30.2 | 19% | 0.189 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -77.9 | -39.1 | 179.1 | -178.7 | 0 | 0 | 0 | 0 | 113.4 | C287 M291 L354 | C287-C358 HydrophobicContact CB-CB 3.92Å; M291-C358 HydrophobicContact CG-CB 3.88Å; M291-C358 HydrophobicContact SD-CB 4.24Å; L354-C358 WeakPolarHBondContact O-CB 3.41Å; L354-C358 PolarHBondContact O-N 3.49Å |
| 359 | C | 97.6 | Very high | 97.6 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 5% | 0.054 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -107.8 | -4.7 | -175.2 | -59.6 | 0 | 0 | 0 | 0 | 114.2 | L319 L355 D361 D362 | L319-C359 HydrophobicContact CD1-CB 4.49Å; L319-C359 HydrophobicContact CD2-CB 4.08Å; L355-C359 WeakPolarHBondContact O-CB 3.44Å; L355-C359 PolarHBondContact O-N 2.89Å; C359-D361 PolarHBondContact O-N 3.29Å; C359-D362 HydrophobicContact CB-CB 4.39Å; C359-D362 WeakPolarHBondContact O-CB 3.44Å; C359-D362 PolarHBondContact O-N 2.86Å |
| 360 | E | 97 | Very high | 97.6 | Very high | 113 Ų | 113 | 34.9 Ų | 34.9 | 53% | 0.528 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | 50.2 | -129.2 | 176.1 | -55.4 | 173 | -166.1 | 0 | 0 | 112.1 | A356 D362 V363 | A356-E360 WeakPolarHBondContact O-CA 3.25Å; A356-E360 PolarHBondContact O-N 2.94Å; E360-D362 PolarHBondContact O-N 3.39Å; E360-V363 VanDerWaalsContact O-CG1 3.32Å; E360-V363 WeakPolarHBondContact O-CG1 3.49Å; E360-V363 PolarHBondContact O-N 3.4Å |
| 361 | D | 96.6 | Very high | 97.6 | Very high | 52 Ų | 52 | 32.7 Ų | 32.7 | 28% | 0.278 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -54.9 | -25.8 | -176 | -72 | -35.3 | 0 | 0 | 0 | 114.8 | C359 V363 V364 P365 P397 D398 | C359-D361 PolarHBondContact O-N 3.29Å; D361-V363 PolarHBondContact O-N 3.35Å; D361-V364 PolarHBondContact O-N 2.92Å; D361-P365 WeakPolarHBondContact O-CD 3.4Å; D361-P397 WeakPolarHBondContact OD1-CB 3.44Å; D361-D398 PolarHBondContact OD1-N 3.34Å |
| 362 | D | 97.4 | Very high | 97.4 | Very high | 65 Ų | 65 | 40.1 Ų | 40.1 | 35% | 0.348 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -64.6 | -24.9 | -177.2 | -70.2 | -52.5 | 0 | 0 | 0 | 112.1 | K316 L319 C359 E360 P365 H366 | K316-D362 WeakPolarHBondContact CE-OD2 3.36Å; K316-D362 IonicContact NZ-OD2 3.92Å; K316-D362 PolarHBondContact NZ-OD2 2.91Å; L319-D362 HydrophobicContact CD2-CB 3.84Å; L319-D362 WeakPolarHBondContact CD2-O 3.34Å; C359-D362 HydrophobicContact CB-CB 4.39Å; C359-D362 WeakPolarHBondContact O-CB 3.44Å; C359-D362 PolarHBondContact O-N 2.86Å; E360-D362 PolarHBondContact O-N 3.39Å; D362-P365 WeakPolarHBondContact O-CD 3.17Å; D362-P365 WeakPolarHBondContact O-CG 3.27Å; D362-H366 PolarHBondContact O-CD2 3.47Å |
| 363 | V | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -72.8 | -34.9 | -179.7 | 80 | 0 | 0 | 0 | 0 | 112.8 | L319 V323 L352 A356 E360 D361 H366 V367 I393 P397 | L319-V363 HydrophobicContact CD1-CG2 4.16Å; V323-V363 HydrophobicContact CG2-CG2 4.26Å; L352-V363 HydrophobicContact CD1-CG2 4.37Å; A356-V363 HydrophobicContact CB-CG1 3.94Å; E360-V363 VanDerWaalsContact O-CG1 3.32Å; E360-V363 WeakPolarHBondContact O-CG1 3.49Å; E360-V363 PolarHBondContact O-N 3.4Å; D361-V363 PolarHBondContact O-N 3.35Å; V363-H366 WeakPolarHBondContact O-CB 3.43Å; V363-H366 PolarHBondContact O-N 3.5Å; V363-V367 HydrophobicContact CG2-CG2 3.85Å; V363-V367 PolarHBondContact O-N 2.83Å; V363-I393 HydrophobicContact CG1-CB 4.23Å; V363-I393 HydrophobicContact CG1-CG2 4Å; V363-I393 HydrophobicContact CG2-CG2 4.26Å; V363-P397 HydrophobicContact CG1-CG 4.11Å |
| 364 | V | 96.6 | Very high | 97.3 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -54.7 | -50.5 | -172 | -179.8 | 0 | 0 | 0 | 0 | 113.2 | D361 H366 V367 L368 P397 L402 L405 | D361-V364 PolarHBondContact O-N 2.92Å; V364-H366 PolarHBondContact O-N 3.15Å; V364-V367 PolarHBondContact O-N 2.94Å; V364-L368 HydrophobicContact CG1-CD1 3.52Å; V364-L368 HydrophobicContact CG1-CG 3.87Å; V364-L368 WeakPolarHBondContact O-CB 3.37Å; V364-L368 WeakPolarHBondContact O-CG 3.35Å; V364-L368 PolarHBondContact O-N 2.9Å; V364-L368 VanDerWaalsContact O-N 3.07Å; V364-P397 HydrophobicContact CG2-CB 3.83Å; V364-P397 HydrophobicContact CG2-CG 3.69Å; V364-L402 HydrophobicContact CG2-CD2 4.2Å; V364-L405 HydrophobicContact CG1-CD1 4.04Å |
| 365 | P | 97.1 | Very high | 97.2 | Very high | 78 Ų | 78 | 46.1 Ų | 46.1 | 51% | 0.506 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.2 | -21.1 | -179.7 | 26.3 | -36.6 | 0 | 0 | 0 | 113.9 | D361 D362 P369 | D361-P365 WeakPolarHBondContact O-CD 3.4Å; D362-P365 WeakPolarHBondContact O-CD 3.17Å; D362-P365 WeakPolarHBondContact O-CG 3.27Å; P365-P369 VanDerWaalsContact O-CD 3.23Å; P365-P369 WeakPolarHBondContact O-CD 3.12Å; P365-P369 WeakPolarHBondContact O-CG 3.16Å |
| 366 | H | 97.7 | Very high | 97 | Very high | 75 Ų | 75 | 53.2 Ų | 53.2 | 35% | 0.347 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -84.1 | -33.8 | 178.7 | -63.9 | -62.6 | 0 | 0 | 0 | 112.6 | V323 D362 V363 V364 | V323-H366 HydrophobicContact CB-CB 4Å; V323-H366 HydrophobicContact CG1-CB 3.85Å; V323-H366 HydrophobicContact CG2-CB 4.03Å; D362-H366 PolarHBondContact O-CD2 3.47Å; V363-H366 WeakPolarHBondContact O-CB 3.43Å; V363-H366 PolarHBondContact O-N 3.5Å; V364-H366 PolarHBondContact O-N 3.15Å |
| 367 | V | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -88.9 | -39.9 | -175.7 | -179.2 | 0 | 0 | 0 | 0 | 112.4 | V323 L352 V363 V364 P369 F370 I371 A389 I393 | V323-V367 HydrophobicContact CG1-CB 4.4Å; V323-V367 HydrophobicContact CG1-CG2 3.54Å; V323-V367 HydrophobicContact CG2-CG2 4.24Å; L352-V367 HydrophobicContact CD1-CG2 3.91Å; V363-V367 HydrophobicContact CG2-CG2 3.85Å; V363-V367 PolarHBondContact O-N 2.83Å; V364-V367 PolarHBondContact O-N 2.94Å; V367-P369 VanDerWaalsContact C-N 3.35Å; V367-F370 PolarHBondContact O-N 3.4Å; V367-F370 VanDerWaalsContact O-N 3.1Å; V367-I371 HydrophobicContact CG1-CD1 3.68Å; V367-I371 HydrophobicContact CG1-CG1 4.11Å; V367-I371 PolarHBondContact O-N 3.39Å; V367-A389 HydrophobicContact CG1-CB 3.91Å; V367-I393 HydrophobicContact CB-CD1 4.13Å; V367-I393 HydrophobicContact CB-CG2 4.37Å; V367-I393 HydrophobicContact CG1-CD1 4.05Å; V367-I393 HydrophobicContact CG1-CG2 4.26Å; V367-I393 HydrophobicContact CG2-CG2 4.01Å |
| 368 | L | 95.6 | Very high | 97 | Very high | 29 Ų | 29 | 59.1 Ų | 59.1 | 15% | 0.152 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54 | -37.5 | -176.4 | -77.4 | -178.1 | 0 | 0 | 0 | 115.5 | V364 F370 I371 K372 L405 | V364-L368 HydrophobicContact CG1-CD1 3.52Å; V364-L368 HydrophobicContact CG1-CG 3.87Å; V364-L368 WeakPolarHBondContact O-CB 3.37Å; V364-L368 WeakPolarHBondContact O-CG 3.35Å; V364-L368 PolarHBondContact O-N 2.9Å; V364-L368 VanDerWaalsContact O-N 3.07Å; L368-F370 PolarHBondContact O-N 3.32Å; L368-I371 HydrophobicContact CD2-CD1 4.39Å; L368-I371 PolarHBondContact O-N 3.19Å; L368-K372 WeakPolarHBondContact O-CG 3.41Å; L368-K372 PolarHBondContact O-N 3.04Å; L368-L405 HydrophobicContact CD1-CD1 3.86Å; L368-L405 HydrophobicContact CD1-CD2 4.19Å; L368-L405 HydrophobicContact CD2-CD1 4.37Å |
| 369 | P | 97.5 | Very high | 97 | Very high | 77 Ų | 77 | 60.8 Ų | 60.8 | 50% | 0.5 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.9 | -44.6 | 176.6 | -26.1 | 36.2 | 0 | 0 | 0 | 113 | P365 V367 I371 K372 E373 | P365-P369 VanDerWaalsContact O-CD 3.23Å; P365-P369 WeakPolarHBondContact O-CD 3.12Å; P365-P369 WeakPolarHBondContact O-CG 3.16Å; V367-P369 VanDerWaalsContact C-N 3.35Å; P369-I371 PolarHBondContact O-N 3.2Å; P369-K372 PolarHBondContact O-N 3.19Å; P369-E373 WeakPolarHBondContact O-CB 3.28Å; P369-E373 PolarHBondContact O-N 3.33Å; P369-E373 VanDerWaalsContact O-N 3.09Å |
| 370 | F | 98.3 | Very high | 97 | Very high | 27 Ų | 27 | 62.4 Ų | 62.4 | 12% | 0.118 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.2 | -45 | 179 | 178.7 | -91.6 | 0 | 0 | 0 | 111.2 | T327 V367 L368 E373 N374 Y382 A385 | T327-F370 HydrophobicContact CG2-CB 4.41Å; T327-F370 HydrophobicContact CG2-CD1 4.03Å; T327-F370 HydrophobicContact CG2-CE1 4.48Å; T327-F370 HydrophobicContact CG2-CG 4.13Å; T327-F370 WeakPolarHBondContact O-CZ 3.11Å; V367-F370 PolarHBondContact O-N 3.4Å; V367-F370 VanDerWaalsContact O-N 3.1Å; L368-F370 PolarHBondContact O-N 3.32Å; F370-E373 PolarHBondContact O-N 3.17Å; F370-N374 WeakPolarHBondContact O-CB 3.43Å; F370-N374 PolarHBondContact O-N 3.03Å; F370-N374 PolarHBondContact O-ND2 3.26Å; F370-N374 VanDerWaalsContact O-ND2 3.16Å; F370-Y382 HydrophobicContact CE2-CD1 4.33Å; F370-Y382 HydrophobicContact CE2-CE1 4.43Å; F370-Y382 HydrophobicContact CZ-CD1 4.14Å; F370-A385 HydrophobicContact CE1-CB 4.06Å; F370-A385 HydrophobicContact CZ-CB 4.12Å |
| 371 | I | 97 | Very high | 97 | Very high | 15 Ų | 15 | 60.2 Ų | 60.2 | 8% | 0.077 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60 | -50.3 | 178.3 | -60.5 | 170.5 | 0 | 0 | 0 | 110.3 | V367 L368 P369 E373 N374 I375 A389 F390 I393 | V367-I371 HydrophobicContact CG1-CD1 3.68Å; V367-I371 HydrophobicContact CG1-CG1 4.11Å; V367-I371 PolarHBondContact O-N 3.39Å; L368-I371 HydrophobicContact CD2-CD1 4.39Å; L368-I371 PolarHBondContact O-N 3.19Å; P369-I371 PolarHBondContact O-N 3.2Å; I371-E373 VanDerWaalsContact C-N 3.26Å; I371-E373 PolarHBondContact O-N 2.98Å; I371-N374 PolarHBondContact O-N 3.42Å; I371-I375 HydrophobicContact CG2-CB 4.47Å; I371-I375 VanDerWaalsContact O-CB 3.23Å; I371-I375 WeakPolarHBondContact O-CB 3.41Å; I371-I375 WeakPolarHBondContact O-CG2 3.28Å; I371-I375 PolarHBondContact O-N 3.43Å; I371-A389 HydrophobicContact CG1-CB 4.31Å; I371-F390 HydrophobicContact CD1-CB 3.79Å; I371-F390 HydrophobicContact CD1-CD2 3.97Å; I371-F390 HydrophobicContact CD1-CG 4.38Å; I371-I393 HydrophobicContact CD1-CD1 4.46Å |
| 372 | K | 95.1 | Very high | 97 | Very high | 156 Ų | 156 | 60.6 Ų | 60.6 | 68% | 0.678 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.6 | -33.7 | -177.7 | -74.2 | 179.3 | -179.4 | 177.4 | 0 | 112.9 | L368 P369 | L368-K372 WeakPolarHBondContact O-CG 3.41Å; L368-K372 PolarHBondContact O-N 3.04Å; P369-K372 PolarHBondContact O-N 3.19Å |
| 373 | E | 97.1 | Very high | 97.1 | Very high | 155 Ų | 155 | 59 Ų | 59 | 72% | 0.724 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -72.3 | -38.9 | 177.3 | -175.3 | 172.5 | -177.8 | 0 | 0 | 112.1 | P369 F370 I371 | P369-E373 WeakPolarHBondContact O-CB 3.28Å; P369-E373 PolarHBondContact O-N 3.33Å; P369-E373 VanDerWaalsContact O-N 3.09Å; F370-E373 PolarHBondContact O-N 3.17Å; I371-E373 VanDerWaalsContact C-N 3.26Å; I371-E373 PolarHBondContact O-N 2.98Å |
| 374 | N | 97.6 | Very high | 97.1 | Very high | 12 Ų | 12 | 59.2 Ų | 59.2 | 6% | 0.064 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -110.8 | -11.5 | -163.8 | -71.7 | -63.1 | 0 | 0 | 0 | 115.9 | F370 I371 K376 N377 Y382 S386 | F370-N374 WeakPolarHBondContact O-CB 3.43Å; F370-N374 PolarHBondContact O-N 3.03Å; F370-N374 PolarHBondContact O-ND2 3.26Å; F370-N374 VanDerWaalsContact O-ND2 3.16Å; I371-N374 PolarHBondContact O-N 3.42Å; N374-K376 PolarHBondContact O-N 3.39Å; N374-N377 HydrophobicContact CB-CB 4.5Å; N374-N377 WeakPolarHBondContact O-CB 3.44Å; N374-N377 PolarHBondContact O-N 3.16Å; N374-N377 PolarHBondContact OD1-ND2 3.11Å; N374-Y382 HydrophobicContact CB-CD1 4.46Å; N374-Y382 WeakPolarHBondContact OD1-CD1 3.42Å; N374-S386 WeakPolarHBondContact CB-OG 3.33Å |
| 375 | I | 96 | Very high | 97.2 | Very high | 32 Ų | 32 | 59 Ų | 59 | 16% | 0.164 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22 | -177.5 | -165.3 | 63.4 | 0 | 0 | 0 | 114 | I371 S386 I387 T412 L416 | I371-I375 HydrophobicContact CG2-CB 4.47Å; I371-I375 VanDerWaalsContact O-CB 3.23Å; I371-I375 WeakPolarHBondContact O-CB 3.41Å; I371-I375 WeakPolarHBondContact O-CG2 3.28Å; I371-I375 PolarHBondContact O-N 3.43Å; I375-S386 PolarHBondContact N-OG 3.02Å; I375-I387 HydrophobicContact CD1-CD1 4.4Å; I375-I387 HydrophobicContact CD1-CG1 3.52Å; I375-T412 HydrophobicContact CG1-CG2 3.93Å; I375-L416 HydrophobicContact CD1-CD1 3.74Å; I375-L416 HydrophobicContact CG1-CD1 4.19Å |
| 376 | K | 95.6 | Very high | 97.2 | Very high | 149 Ų | 149 | 55.3 Ų | 55.3 | 65% | 0.648 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | 18.6 | 174.3 | -63 | -167.7 | 177.3 | -163.3 | 0 | 113.4 | N374 | N374-K376 PolarHBondContact O-N 3.39Š|
| 377 | N | 97.7 | Very high | 97.2 | Very high | 41 Ų | 41 | 51.7 Ų | 51.7 | 22% | 0.219 | 25% | 0.252 | C | S | . | . | trans | -61.6 | 138.5 | -179.6 | -164.7 | -47.8 | 0 | 0 | 0 | 110.2 | N374 D379 R383 | N374-N377 HydrophobicContact CB-CB 4.5Å; N374-N377 WeakPolarHBondContact O-CB 3.44Å; N374-N377 PolarHBondContact O-N 3.16Å; N374-N377 PolarHBondContact OD1-ND2 3.11Å; N377-D379 PolarHBondContact O-N 3.29Å; N377-D379 WeakPolarHBondContact OD1-CB 3.49Å; N377-D379 PolarHBondContact OD1-N 3.19Å; N377-R383 HydrophobicContact CB-CG 4.3Å; N377-R383 WeakPolarHBondContact O-CD 3.37Å; N377-R383 WeakPolarHBondContact O-CG 3.38Å; N377-R383 PolarHBondContact O-NH1 3.09Å | ||
| 378 | P | 96.8 | Very high | 97.3 | Very high | 125 Ų | 125 | 54 Ų | 54 | 81% | 0.812 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -61.5 | -29.3 | 173.7 | -25.5 | 35.3 | 0 | 0 | 0 | 113.8 | W380 R383 | P378-W380 PolarHBondContact O-N 3.36Å; P378-R383 PolarHBondContact O-NH1 3.47Å |
| 379 | D | 97.4 | Very high | 97.4 | Very high | 62 Ų | 62 | 52.6 Ų | 52.6 | 33% | 0.332 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -75.7 | 122.1 | 173.6 | -169.3 | -13.1 | 0 | 0 | 0 | 110.2 | N377 R381 Y382 R383 | N377-D379 PolarHBondContact O-N 3.29Å; N377-D379 WeakPolarHBondContact OD1-CB 3.49Å; N377-D379 PolarHBondContact OD1-N 3.19Å; D379-R381 PolarHBondContact O-N 2.67Å; D379-R381 PolarHBondContact OD1-N 2.93Å; D379-Y382 HydrophobicContact CB-CD2 4.08Å; D379-Y382 PolarHBondContact O-N 2.96Å; D379-R383 PolarHBondContact O-N 3.06Å |
| 380 | W | 97.1 | Very high | 97.4 | Very high | 43 Ų | 43 | 49.5 Ų | 49.5 | 16% | 0.163 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.4 | -29.5 | -178.1 | 70.4 | -95.1 | 0 | 0 | 0 | 111.8 | Q333 E335 P378 Y382 R383 D384 V423 V424 | Q333-W380 HydrophobicContact CB-CH2 3.82Å; Q333-W380 HydrophobicContact CB-CZ3 3.94Å; Q333-W380 HydrophobicContact CG-CZ3 4.22Å; E335-W380 HydrophobicContact CG-CH2 4.12Å; E335-W380 HydrophobicContact CG-CZ2 3.5Å; E335-W380 VanDerWaalsContact CG-CZ2 3.5Å; P378-W380 PolarHBondContact O-N 3.36Å; W380-Y382 VanDerWaalsContact C-N 3.31Å; W380-Y382 PolarHBondContact O-N 3.4Å; W380-R383 PolarHBondContact O-N 3.48Å; W380-D384 HydrophobicContact CE3-CB 4.38Å; W380-D384 VanDerWaalsContact O-CB 3.24Å; W380-D384 WeakPolarHBondContact O-CB 3.34Å; W380-D384 PolarHBondContact O-N 3.09Å; W380-V423 HydrophobicContact CE3-CB 3.93Å; W380-V423 HydrophobicContact CE3-CG1 4.13Å; W380-V423 HydrophobicContact CE3-CG2 4.29Å; W380-V423 HydrophobicContact CH2-CB 4.46Å; W380-V423 HydrophobicContact CH2-CG1 4.44Å; W380-V423 HydrophobicContact CH2-CG2 4.06Å; W380-V423 HydrophobicContact CZ3-CB 3.64Å; W380-V423 HydrophobicContact CZ3-CG1 3.53Å; W380-V423 HydrophobicContact CZ3-CG2 3.73Å; W380-V424 HydrophobicContact CB-CG2 4.1Å |
| 381 | R | 97.3 | Very high | 97.4 | Very high | 67 Ų | 67 | 48.2 Ų | 48.2 | 25% | 0.253 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61 | -40.7 | 178.5 | -71.8 | -176.3 | 163.5 | 78.8 | 1.9 | 112.1 | Q333 E335 D379 A385 | Q333-R381 PolarHBondContact NE2-O 3.33Å; Q333-R381 PolarHBondContact O-NH2 3.05Å; Q333-R381 VanDerWaalsContact OE1-CB 3.29Å; E335-R381 IonicContact OE1-CZ 3.94Å; E335-R381 VanDerWaalsContact OE1-CZ 3.28Å; E335-R381 IonicContact OE1-NH1 3.35Å; E335-R381 PolarHBondContact OE1-NH1 2.81Å; E335-R381 IonicContact OE1-NH2 2.74Å; E335-R381 PolarHBondContact OE1-NH2 3.3Å; D379-R381 PolarHBondContact O-N 2.67Å; D379-R381 PolarHBondContact OD1-N 2.93Å; R381-A385 WeakPolarHBondContact O-CB 3.11Å; R381-A385 PolarHBondContact O-N 3.47Å |
| 382 | Y | 98.2 | Very high | 97.4 | Very high | 60 Ų | 60 | 47.5 Ų | 47.5 | 24% | 0.235 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -78 | -33.8 | 178 | -78.3 | -85.2 | 0 | 0 | 0 | 112.8 | Q328 A331 F370 N374 D379 W380 S386 | Q328-Y382 PolarHBondContact NE2-OH 3.01Å; A331-Y382 HydrophobicContact CB-CD1 4.3Å; A331-Y382 HydrophobicContact CB-CE1 4.11Å; A331-Y382 HydrophobicContact CB-CE2 4.43Å; F370-Y382 HydrophobicContact CE2-CD1 4.33Å; F370-Y382 HydrophobicContact CE2-CE1 4.43Å; F370-Y382 HydrophobicContact CZ-CD1 4.14Å; N374-Y382 HydrophobicContact CB-CD1 4.46Å; N374-Y382 WeakPolarHBondContact OD1-CD1 3.42Å; D379-Y382 HydrophobicContact CB-CD2 4.08Å; D379-Y382 PolarHBondContact O-N 2.96Å; W380-Y382 VanDerWaalsContact C-N 3.31Å; W380-Y382 PolarHBondContact O-N 3.4Å; Y382-S386 WeakPolarHBondContact O-CB 3.43Å; Y382-S386 PolarHBondContact O-N 2.71Å; Y382-S386 PolarHBondContact O-OG 3.16Å |
| 383 | R | 97.9 | Very high | 97.5 | Very high | 30 Ų | 30 | 40.1 Ų | 40.1 | 11% | 0.113 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.7 | -51.7 | 171.3 | -67 | -159.4 | -60.6 | -75 | 0.6 | 110.5 | N377 P378 D379 W380 S386 I387 D419 V424 | N377-R383 HydrophobicContact CB-CG 4.3Å; N377-R383 WeakPolarHBondContact O-CD 3.37Å; N377-R383 WeakPolarHBondContact O-CG 3.38Å; N377-R383 PolarHBondContact O-NH1 3.09Å; P378-R383 PolarHBondContact O-NH1 3.47Å; D379-R383 PolarHBondContact O-N 3.06Å; W380-R383 PolarHBondContact O-N 3.48Å; R383-S386 WeakPolarHBondContact O-CB 3.44Å; R383-S386 PolarHBondContact O-N 3.11Å; R383-S386 VanDerWaalsContact O-N 3.15Å; R383-I387 WeakPolarHBondContact O-CD1 3.17Å; R383-I387 VanDerWaalsContact O-CG1 3.28Å; R383-I387 WeakPolarHBondContact O-CG1 3.19Å; R383-I387 PolarHBondContact O-N 3.07Å; R383-I387 VanDerWaalsContact O-N 3.14Å; R383-D419 IonicContact CZ-OD1 3.34Å; R383-D419 IonicContact CZ-OD2 3.59Å; R383-D419 IonicContact NE-OD2 3.45Å; R383-D419 PolarHBondContact NE-OD2 3.05Å; R383-D419 IonicContact NH2-OD1 2.68Å; R383-D419 PolarHBondContact NH2-OD1 2.94Å; R383-D419 IonicContact NH2-OD2 2.87Å; R383-D419 PolarHBondContact NH2-OD2 3.39Å; R383-V424 HydrophobicContact CB-CG2 4.21Å |
| 384 | D | 97.8 | Very high | 97.5 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 3% | 0.032 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.1 | -50.8 | 178.5 | -178.7 | 73.6 | 0 | 0 | 0 | 111.8 | Q333 W380 S386 I387 M388 V423 V424 T427 | Q333-D384 PolarHBondContact NE2-OD2 3.18Å; W380-D384 HydrophobicContact CE3-CB 4.38Å; W380-D384 VanDerWaalsContact O-CB 3.24Å; W380-D384 WeakPolarHBondContact O-CB 3.34Å; W380-D384 PolarHBondContact O-N 3.09Å; D384-S386 PolarHBondContact O-N 2.73Å; D384-S386 VanDerWaalsContact O-N 3.16Å; D384-I387 PolarHBondContact O-N 3.08Å; D384-M388 PolarHBondContact O-N 3.48Å; D384-V423 HydrophobicContact CB-CG1 4.37Å; D384-V424 HydrophobicContact CB-CG2 4Å; D384-T427 WeakPolarHBondContact OD1-CB 3.47Å; D384-T427 PolarHBondContact OD1-OG1 2.75Å |
| 385 | A | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.3 | -33.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L330 A331 F370 R381 A389 | L330-A385 HydrophobicContact CB-CB 3.69Å; A331-A385 HydrophobicContact CB-CB 4.23Å; F370-A385 HydrophobicContact CE1-CB 4.06Å; F370-A385 HydrophobicContact CZ-CB 4.12Å; R381-A385 WeakPolarHBondContact O-CB 3.11Å; R381-A385 PolarHBondContact O-N 3.47Å; A385-A389 WeakPolarHBondContact O-CB 3.31Å; A385-A389 PolarHBondContact O-N 3.36Å |
| 386 | S | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.6 | -37.7 | 175.6 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | N374 I375 Y382 R383 D384 F390 | N374-S386 WeakPolarHBondContact CB-OG 3.33Å; I375-S386 PolarHBondContact N-OG 3.02Å; Y382-S386 WeakPolarHBondContact O-CB 3.43Å; Y382-S386 PolarHBondContact O-N 2.71Å; Y382-S386 PolarHBondContact O-OG 3.16Å; R383-S386 WeakPolarHBondContact O-CB 3.44Å; R383-S386 PolarHBondContact O-N 3.11Å; R383-S386 VanDerWaalsContact O-N 3.15Å; D384-S386 PolarHBondContact O-N 2.73Å; D384-S386 VanDerWaalsContact O-N 3.16Å; S386-F390 WeakPolarHBondContact O-CB 3.31Å; S386-F390 PolarHBondContact O-N 3.07Å |
| 387 | I | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -74.6 | -44.5 | -179.8 | -58.9 | 155.7 | 0 | 0 | 0 | 109.1 | I375 R383 D384 A389 F390 G391 L413 L416 V424 T427 T431 | I375-I387 HydrophobicContact CD1-CD1 4.4Å; I375-I387 HydrophobicContact CD1-CG1 3.52Å; R383-I387 WeakPolarHBondContact O-CD1 3.17Å; R383-I387 VanDerWaalsContact O-CG1 3.28Å; R383-I387 WeakPolarHBondContact O-CG1 3.19Å; R383-I387 PolarHBondContact O-N 3.07Å; R383-I387 VanDerWaalsContact O-N 3.14Å; D384-I387 PolarHBondContact O-N 3.08Å; I387-A389 VanDerWaalsContact C-N 3.35Å; I387-A389 PolarHBondContact O-N 3.44Å; I387-F390 WeakPolarHBondContact O-CB 3.4Å; I387-F390 PolarHBondContact O-N 3.44Å; I387-F390 VanDerWaalsContact O-N 3.09Å; I387-G391 PolarHBondContact O-N 2.93Å; I387-L413 HydrophobicContact CG2-CD2 4.33Å; I387-L416 HydrophobicContact CD1-CB 4.42Å; I387-L416 HydrophobicContact CD1-CD1 3.67Å; I387-L416 HydrophobicContact CD1-CD2 4.25Å; I387-L416 HydrophobicContact CD1-CG 4.34Å; I387-L416 HydrophobicContact CG1-CD1 3.89Å; I387-V424 HydrophobicContact CD1-CG1 3.59Å; I387-T427 HydrophobicContact CB-CG2 4.08Å; I387-T427 HydrophobicContact CG2-CG2 3.92Å; I387-T431 HydrophobicContact CG2-CG2 4.32Å; I387-T431 WeakPolarHBondContact CG2-OG1 3.47Å; I387-T431 PolarHBondContact O-OG1 2.99Å |
| 388 | M | 98 | Very high | 97 | Very high | 48 Ų | 48 | 30.8 Ų | 30.8 | 24% | 0.236 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.9 | -48.8 | 173.7 | -177.5 | 54.1 | 76.8 | 0 | 0 | 111 | L330 D384 F390 G391 S392 T427 W430 | L330-M388 HydrophobicContact CD1-CB 4.35Å; L330-M388 HydrophobicContact CD1-CG 4.11Å; L330-M388 HydrophobicContact CD2-CG 3.74Å; D384-M388 PolarHBondContact O-N 3.48Å; M388-F390 VanDerWaalsContact C-N 3.27Å; M388-F390 PolarHBondContact O-N 3.42Å; M388-G391 PolarHBondContact O-N 2.93Å; M388-S392 VanDerWaalsContact O-CB 3.32Å; M388-S392 WeakPolarHBondContact O-CB 3.4Å; M388-S392 PolarHBondContact O-N 3.42Å; M388-S392 PolarHBondContact O-OG 3.12Å; M388-T427 HydrophobicContact CB-CG2 3.78Å; M388-T427 HydrophobicContact CE-CG2 3.8Å; M388-T427 HydrophobicContact SD-CG2 4.43Å; M388-W430 HydrophobicContact SD-CE3 4.23Å; M388-W430 HydrophobicContact SD-CH2 4.18Å; M388-W430 HydrophobicContact SD-CZ3 3.72Å |
| 389 | A | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.7 | -33.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | T327 L330 L352 V367 I371 A385 I387 | T327-A389 HydrophobicContact CG2-CB 4.26Å; L330-A389 HydrophobicContact CD1-CB 3.96Å; L352-A389 HydrophobicContact CD2-CB 3.9Å; V367-A389 HydrophobicContact CG1-CB 3.91Å; I371-A389 HydrophobicContact CG1-CB 4.31Å; A385-A389 WeakPolarHBondContact O-CB 3.31Å; A385-A389 PolarHBondContact O-N 3.36Å; I387-A389 VanDerWaalsContact C-N 3.35Å; I387-A389 PolarHBondContact O-N 3.44Å |
| 390 | F | 98.1 | Very high | 96.3 | Very high | 12 Ų | 12 | 32.3 Ų | 32.3 | 5% | 0.053 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.9 | -49.2 | 175.6 | -175.2 | -115 | 0 | 0 | 0 | 111.8 | I371 S386 I387 M388 S392 I393 L394 V406 A409 L413 T431 I435 | I371-F390 HydrophobicContact CD1-CB 3.79Å; I371-F390 HydrophobicContact CD1-CD2 3.97Å; I371-F390 HydrophobicContact CD1-CG 4.38Å; S386-F390 WeakPolarHBondContact O-CB 3.31Å; S386-F390 PolarHBondContact O-N 3.07Å; I387-F390 WeakPolarHBondContact O-CB 3.4Å; I387-F390 PolarHBondContact O-N 3.44Å; I387-F390 VanDerWaalsContact O-N 3.09Å; M388-F390 VanDerWaalsContact C-N 3.27Å; M388-F390 PolarHBondContact O-N 3.42Å; F390-S392 VanDerWaalsContact C-N 3.29Å; F390-S392 PolarHBondContact O-N 3.34Å; F390-I393 VanDerWaalsContact O-CG1 3.3Å; F390-I393 WeakPolarHBondContact O-CG1 3.41Å; F390-I393 PolarHBondContact O-N 3.06Å; F390-L394 HydrophobicContact CE1-CD2 4.22Å; F390-L394 HydrophobicContact CE2-CD2 4.48Å; F390-L394 HydrophobicContact CZ-CD2 4.13Å; F390-L394 WeakPolarHBondContact O-CG 3.42Å; F390-V406 HydrophobicContact CZ-CB 4.47Å; F390-V406 HydrophobicContact CZ-CG2 3.84Å; F390-A409 HydrophobicContact CE1-CB 3.95Å; F390-A409 HydrophobicContact CZ-CB 3.78Å; F390-L413 HydrophobicContact CD1-CD1 4.49Å; F390-L413 HydrophobicContact CE1-CD1 4.07Å; F390-T431 HydrophobicContact CD1-CG2 3.82Å; F390-T431 HydrophobicContact CE1-CG2 4.46Å; F390-I435 HydrophobicContact CE1-CD1 4.3Å |
| 391 | G | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.6 | -35.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I387 M388 I393 L394 | I387-G391 PolarHBondContact O-N 2.93Å; M388-G391 PolarHBondContact O-N 2.93Å; G391-I393 PolarHBondContact O-N 2.87Å; G391-L394 PolarHBondContact O-N 3.35Å |
| 392 | S | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.1 | -24.5 | -180 | -60.8 | 0 | 0 | 0 | 0 | 114 | M353 M388 F390 | M353-S392 WeakPolarHBondContact CA-O 3.26Å; M353-S392 WeakPolarHBondContact CG-O 3.38Å; M388-S392 VanDerWaalsContact O-CB 3.32Å; M388-S392 WeakPolarHBondContact O-CB 3.4Å; M388-S392 PolarHBondContact O-N 3.42Å; M388-S392 PolarHBondContact O-OG 3.12Å; F390-S392 VanDerWaalsContact C-N 3.29Å; F390-S392 PolarHBondContact O-N 3.34Å |
| 393 | I | 97.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 11.5 | -177.6 | 66.9 | 167.7 | 0 | 0 | 0 | 113.6 | L352 A356 V363 V367 I371 F390 G391 | L352-I393 HydrophobicContact CG-CG2 4.34Å; A356-I393 HydrophobicContact CB-CB 4.31Å; A356-I393 HydrophobicContact CB-CG2 4.2Å; V363-I393 HydrophobicContact CG1-CB 4.23Å; V363-I393 HydrophobicContact CG1-CG2 4Å; V363-I393 HydrophobicContact CG2-CG2 4.26Å; V367-I393 HydrophobicContact CB-CD1 4.13Å; V367-I393 HydrophobicContact CB-CG2 4.37Å; V367-I393 HydrophobicContact CG1-CD1 4.05Å; V367-I393 HydrophobicContact CG1-CG2 4.26Å; V367-I393 HydrophobicContact CG2-CG2 4.01Å; I371-I393 HydrophobicContact CD1-CD1 4.46Å; F390-I393 VanDerWaalsContact O-CG1 3.3Å; F390-I393 WeakPolarHBondContact O-CG1 3.41Å; F390-I393 PolarHBondContact O-N 3.06Å; G391-I393 PolarHBondContact O-N 2.87Å |
| 394 | L | 96.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -75.3 | -17.8 | 178.8 | -66.7 | 178.5 | 0 | 0 | 0 | 112.9 | F390 G391 L402 V406 T431 R434 I435 L438 | F390-L394 HydrophobicContact CE1-CD2 4.22Å; F390-L394 HydrophobicContact CE2-CD2 4.48Å; F390-L394 HydrophobicContact CZ-CD2 4.13Å; F390-L394 WeakPolarHBondContact O-CG 3.42Å; G391-L394 PolarHBondContact O-N 3.35Å; L394-L402 WeakPolarHBondContact O-CD1 3.29Å; L394-V406 HydrophobicContact CD2-CG2 3.67Å; L394-T431 HydrophobicContact CD1-CG2 4.47Å; L394-R434 HydrophobicContact CD1-CB 3.8Å; L394-I435 HydrophobicContact CD1-CG1 3.61Å; L394-L438 HydrophobicContact CB-CD1 3.87Å |
| 395 | E | 95 | Very high | 94.9 | Very high | 81 Ų | 81 | 35.1 Ų | 35.1 | 38% | 0.379 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -112.2 | 136.6 | 179.5 | -163.8 | 176.2 | 178.7 | 0 | 0 | 109.7 | A356 T357 P397 R434 L438 | A356-E395 WeakPolarHBondContact CB-O 3.35Å; T357-E395 HydrophobicContact CG2-CB 4.32Å; T357-E395 HydrophobicContact CG2-CG 3.99Å; E395-P397 WeakPolarHBondContact O-CD 3.27Å; E395-R434 IonicContact OE2-CZ 3.25Å; E395-R434 IonicContact OE2-NH1 3.16Å; E395-R434 PolarHBondContact OE2-NH1 2.88Å; E395-L438 HydrophobicContact CB-CD1 3.73Å; E395-L438 HydrophobicContact CG-CD1 4.29Å; E395-L438 HydrophobicContact CG-CD2 4.3Å |
| 396 | G | 94.1 | Very high | 94.7 | Very high | 31 Ų | 31 | 35.1 Ų | 35.1 | 32% | 0.32 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 108.2 | -66.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A356 | A356-G396 WeakPolarHBondContact O-CA 3.25Š|
| 397 | P | 95.4 | Very high | 94.5 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.032 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -60.2 | 159.1 | 179.8 | -21.2 | 30.5 | 0 | 0 | 0 | 113.9 | D361 V363 V364 E395 L399 L402 | D361-P397 WeakPolarHBondContact OD1-CB 3.44Å; V363-P397 HydrophobicContact CG1-CG 4.11Å; V364-P397 HydrophobicContact CG2-CB 3.83Å; V364-P397 HydrophobicContact CG2-CG 3.69Å; E395-P397 WeakPolarHBondContact O-CD 3.27Å; P397-L399 PolarHBondContact O-N 2.93Å; P397-L402 HydrophobicContact CB-CD1 3.77Å; P397-L402 HydrophobicContact CB-CD2 4.16Å; P397-L402 HydrophobicContact CB-CG 3.85Å; P397-L402 HydrophobicContact CG-CD1 4.11Å; P397-L402 HydrophobicContact CG-CD2 4.38Å; P397-L402 HydrophobicContact CG-CG 4.45Å |
| 398 | D | 93.3 | Very high | 94.2 | Very high | 74 Ų | 74 | 44.2 Ų | 44.2 | 40% | 0.396 | 23% | 0.231 | S | C | . | . | trans | -61.3 | 129.1 | 179.9 | -179.5 | -84.7 | 0 | 0 | 0 | 111.1 | D361 N400 Q401 L402 | D361-D398 PolarHBondContact OD1-N 3.34Å; D398-N400 PolarHBondContact O-N 3.39Å; D398-N400 VanDerWaalsContact OD1-CA 3.32Å; D398-N400 WeakPolarHBondContact OD1-CA 3.33Å; D398-N400 WeakPolarHBondContact OD1-CB 3.36Å; D398-N400 PolarHBondContact OD1-N 3.04Å; D398-N400 PolarHBondContact OD1-ND2 3.15Å; D398-Q401 HydrophobicContact CB-CB 4.38Å; D398-Q401 WeakPolarHBondContact O-CB 3.47Å; D398-Q401 PolarHBondContact O-N 3.01Å; D398-Q401 PolarHBondContact OD1-N 3.13Å; D398-L402 PolarHBondContact O-N 2.94Å | ||
| 399 | L | 88.9 | Confident | 94.1 | Very high | 94 Ų | 94 | 43 Ų | 43 | 49% | 0.492 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.6 | -32.7 | -176.1 | -64.8 | 177.1 | 0 | 0 | 0 | 112.5 | P397 Q401 L402 K403 Q439 | P397-L399 PolarHBondContact O-N 2.93Å; L399-Q401 VanDerWaalsContact C-N 3.32Å; L399-Q401 PolarHBondContact O-N 3.38Å; L399-L402 PolarHBondContact O-N 3.13Å; L399-K403 VanDerWaalsContact O-CB 3.24Å; L399-K403 WeakPolarHBondContact O-CB 3.48Å; L399-K403 PolarHBondContact O-N 2.96Å; L399-Q439 HydrophobicContact CD2-CG 4.24Å; L399-Q439 PolarHBondContact O-NE2 3.42Å |
| 400 | N | 89.6 | Confident | 93.9 | Very high | 126 Ų | 126 | 43 Ų | 43 | 67% | 0.674 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -70.4 | -30.6 | 177.9 | -51.7 | -73.8 | 0 | 0 | 0 | 112 | D398 P404 | D398-N400 PolarHBondContact O-N 3.39Å; D398-N400 VanDerWaalsContact OD1-CA 3.32Å; D398-N400 WeakPolarHBondContact OD1-CA 3.33Å; D398-N400 WeakPolarHBondContact OD1-CB 3.36Å; D398-N400 PolarHBondContact OD1-N 3.04Å; D398-N400 PolarHBondContact OD1-ND2 3.15Å; N400-P404 WeakPolarHBondContact O-CD 3.5Å |
| 401 | Q | 89.6 | Confident | 93.8 | Very high | 83 Ų | 83 | 45.6 Ų | 45.6 | 39% | 0.388 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -73.6 | -40.5 | 174.7 | 177.7 | 165.1 | -53.7 | 0 | 0 | 111.6 | D398 L399 P404 | D398-Q401 HydrophobicContact CB-CB 4.38Å; D398-Q401 WeakPolarHBondContact O-CB 3.47Å; D398-Q401 PolarHBondContact O-N 3.01Å; D398-Q401 PolarHBondContact OD1-N 3.13Å; L399-Q401 VanDerWaalsContact C-N 3.32Å; L399-Q401 PolarHBondContact O-N 3.38Å; Q401-P404 WeakPolarHBondContact O-CD 3.44Å; Q401-P404 WeakPolarHBondContact O-CG 3.44Å |
| 402 | L | 91.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -74.8 | -38.8 | -179.1 | -74.6 | 178.3 | 0 | 0 | 0 | 113.5 | V364 L394 P397 D398 L399 L405 V406 | V364-L402 HydrophobicContact CG2-CD2 4.2Å; L394-L402 WeakPolarHBondContact O-CD1 3.29Å; P397-L402 HydrophobicContact CB-CD1 3.77Å; P397-L402 HydrophobicContact CB-CD2 4.16Å; P397-L402 HydrophobicContact CB-CG 3.85Å; P397-L402 HydrophobicContact CG-CD1 4.11Å; P397-L402 HydrophobicContact CG-CD2 4.38Å; P397-L402 HydrophobicContact CG-CG 4.45Å; D398-L402 PolarHBondContact O-N 2.94Å; L399-L402 PolarHBondContact O-N 3.13Å; L402-L405 HydrophobicContact CD2-CD1 4.47Å; L402-L405 WeakPolarHBondContact O-CA 3.47Å; L402-L405 VanDerWaalsContact O-CB 3.28Å; L402-L405 WeakPolarHBondContact O-CB 3.49Å; L402-L405 PolarHBondContact O-N 2.89Å; L402-V406 PolarHBondContact O-N 3.38Å |
| 403 | K | 90.8 | Very high | 93.7 | Very high | 80 Ų | 80 | 47.5 Ų | 47.5 | 35% | 0.348 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -47.1 | -50.7 | -177.1 | -178.8 | 174.6 | 177.7 | -179.5 | 0 | 115.1 | L399 L405 V406 I407 Q439 E441 | L399-K403 VanDerWaalsContact O-CB 3.24Å; L399-K403 WeakPolarHBondContact O-CB 3.48Å; L399-K403 PolarHBondContact O-N 2.96Å; K403-L405 PolarHBondContact O-N 3.42Å; K403-V406 PolarHBondContact O-N 3.45Å; K403-I407 HydrophobicContact CG-CD1 3.91Å; K403-I407 WeakPolarHBondContact O-CG1 3.41Å; K403-I407 PolarHBondContact O-N 3.43Å; K403-Q439 VanDerWaalsContact CA-OE1 3.31Å; K403-E441 WeakPolarHBondContact CE-OE2 3.41Å; K403-E441 IonicContact NZ-OE2 3.47Å; K403-E441 PolarHBondContact NZ-OE2 3.01Å |
| 404 | P | 93.4 | Very high | 93.7 | Very high | 61 Ų | 61 | 48.7 Ų | 48.7 | 40% | 0.396 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.1 | -28 | 178.6 | 25.9 | -35.6 | 0 | 0 | 0 | 113.2 | N400 Q401 Q408 | N400-P404 WeakPolarHBondContact O-CD 3.5Å; Q401-P404 WeakPolarHBondContact O-CD 3.44Å; Q401-P404 WeakPolarHBondContact O-CG 3.44Å; P404-Q408 WeakPolarHBondContact O-CG 3.32Å; P404-Q408 PolarHBondContact O-N 3.09Å; P404-Q408 PolarHBondContact O-NE2 3.49Å |
| 405 | L | 93.2 | Very high | 93.7 | Very high | 40 Ų | 40 | 54.7 Ų | 54.7 | 21% | 0.209 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -73.2 | -45.5 | 176.7 | -58.5 | 171.3 | 0 | 0 | 0 | 110.4 | V364 L368 L402 K403 Q408 A409 | V364-L405 HydrophobicContact CG1-CD1 4.04Å; L368-L405 HydrophobicContact CD1-CD1 3.86Å; L368-L405 HydrophobicContact CD1-CD2 4.19Å; L368-L405 HydrophobicContact CD2-CD1 4.37Å; L402-L405 HydrophobicContact CD2-CD1 4.47Å; L402-L405 WeakPolarHBondContact O-CA 3.47Å; L402-L405 VanDerWaalsContact O-CB 3.28Å; L402-L405 WeakPolarHBondContact O-CB 3.49Å; L402-L405 PolarHBondContact O-N 2.89Å; K403-L405 PolarHBondContact O-N 3.42Å; L405-Q408 PolarHBondContact O-N 3.12Å; L405-A409 WeakPolarHBondContact O-CB 3.46Å; L405-A409 PolarHBondContact O-N 3.47Å |
| 406 | V | 94.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.4 | -48.3 | 177 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | F390 L394 L402 K403 Q408 A409 M410 I435 A442 | F390-V406 HydrophobicContact CZ-CB 4.47Å; F390-V406 HydrophobicContact CZ-CG2 3.84Å; L394-V406 HydrophobicContact CD2-CG2 3.67Å; L402-V406 PolarHBondContact O-N 3.38Å; K403-V406 PolarHBondContact O-N 3.45Å; V406-Q408 VanDerWaalsContact C-N 3.25Å; V406-Q408 PolarHBondContact O-N 2.82Å; V406-A409 WeakPolarHBondContact O-CA 3.48Å; V406-A409 WeakPolarHBondContact O-CB 3.27Å; V406-A409 PolarHBondContact O-N 2.99Å; V406-M410 HydrophobicContact CG1-SD 4.47Å; V406-M410 WeakPolarHBondContact O-CG 3.43Å; V406-M410 PolarHBondContact O-N 2.87Å; V406-I435 HydrophobicContact CG1-CB 4.5Å; V406-I435 HydrophobicContact CG1-CD1 3.91Å; V406-I435 HydrophobicContact CG1-CG1 3.92Å; V406-I435 HydrophobicContact CG1-CG2 3.75Å; V406-A442 HydrophobicContact CB-CB 4.41Å; V406-A442 HydrophobicContact CG1-CB 3.62Å |
| 407 | I | 93.6 | Very high | 93.9 | Very high | 48 Ų | 48 | 50.6 Ų | 50.6 | 25% | 0.246 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.9 | -40.8 | 176.4 | -71.1 | 173.4 | 0 | 0 | 0 | 111.6 | K403 A409 A442 Y448 | K403-I407 HydrophobicContact CG-CD1 3.91Å; K403-I407 WeakPolarHBondContact O-CG1 3.41Å; K403-I407 PolarHBondContact O-N 3.43Å; I407-A409 VanDerWaalsContact C-N 3.33Å; I407-A442 HydrophobicContact CG1-CB 4.09Å; I407-Y448 HydrophobicContact CG2-CE2 4.24Å |
| 408 | Q | 93 | Very high | 94 | Very high | 142 Ų | 142 | 55.8 Ų | 55.8 | 66% | 0.664 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -70.1 | -29.2 | 176.9 | -74.2 | 172.4 | 43.8 | 0 | 0 | 113.1 | P404 L405 V406 | P404-Q408 WeakPolarHBondContact O-CG 3.32Å; P404-Q408 PolarHBondContact O-N 3.09Å; P404-Q408 PolarHBondContact O-NE2 3.49Å; L405-Q408 PolarHBondContact O-N 3.12Å; V406-Q408 VanDerWaalsContact C-N 3.25Å; V406-Q408 PolarHBondContact O-N 2.82Å |
| 409 | A | 94.7 | Very high | 94.2 | Very high | 22 Ų | 22 | 53 Ų | 53 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -79.4 | -28.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F390 L405 V406 I407 P411 T412 L413 | F390-A409 HydrophobicContact CE1-CB 3.95Å; F390-A409 HydrophobicContact CZ-CB 3.78Å; L405-A409 WeakPolarHBondContact O-CB 3.46Å; L405-A409 PolarHBondContact O-N 3.47Å; V406-A409 WeakPolarHBondContact O-CA 3.48Å; V406-A409 WeakPolarHBondContact O-CB 3.27Å; V406-A409 PolarHBondContact O-N 2.99Å; I407-A409 VanDerWaalsContact C-N 3.33Å; A409-P411 VanDerWaalsContact C-CD 3.48Å; A409-T412 WeakPolarHBondContact O-CA 3.26Å; A409-T412 WeakPolarHBondContact O-CB 3.34Å; A409-T412 PolarHBondContact O-N 3.45Å; A409-L413 HydrophobicContact CB-CD1 4.31Å; A409-L413 PolarHBondContact O-N 2.76Å |
| 410 | M | 95.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -46.2 | -47.7 | -175.8 | -73.1 | -57.9 | -73 | 0 | 0 | 114.9 | V406 T412 L413 I414 I435 Y448 L452 | V406-M410 HydrophobicContact CG1-SD 4.47Å; V406-M410 WeakPolarHBondContact O-CG 3.43Å; V406-M410 PolarHBondContact O-N 2.87Å; M410-T412 VanDerWaalsContact C-N 3.27Å; M410-T412 PolarHBondContact O-N 3.18Å; M410-L413 PolarHBondContact O-N 2.94Å; M410-I414 VanDerWaalsContact O-CG1 3.31Å; M410-I414 WeakPolarHBondContact O-CG1 3.38Å; M410-I414 PolarHBondContact O-N 3.43Å; M410-I435 HydrophobicContact SD-CD1 4.23Å; M410-I435 HydrophobicContact SD-CG2 4.32Å; M410-Y448 HydrophobicContact CB-CD1 4.08Å; M410-Y448 HydrophobicContact CB-CD2 3.91Å; M410-Y448 HydrophobicContact CB-CE1 4.17Å; M410-Y448 HydrophobicContact CB-CE2 4Å; M410-Y448 HydrophobicContact CB-CG 3.97Å; M410-Y448 HydrophobicContact CE-CG 4.48Å; M410-Y448 HydrophobicContact CG-CD2 4Å; M410-Y448 HydrophobicContact CG-CE2 4.3Å; M410-Y448 HydrophobicContact CG-CG 4.35Å; M410-L452 HydrophobicContact CE-CD2 4.16Å |
| 411 | P | 95.7 | Very high | 94.9 | Very high | 66 Ų | 66 | 49 Ų | 49 | 43% | 0.429 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60 | -36.3 | 178.3 | -22.6 | 33.4 | 0 | 0 | 0 | 113.5 | A409 E415 Y448 | A409-P411 VanDerWaalsContact C-CD 3.48Å; P411-E415 PolarHBondContact O-N 3.44Å; P411-Y448 HydrophobicContact CG-CE1 3.93Å |
| 412 | T | 96.6 | Very high | 95.2 | Very high | 34 Ų | 34 | 47 Ų | 47 | 21% | 0.209 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -75.3 | -40 | -179.8 | -53.2 | 0 | 0 | 0 | 0 | 110.5 | I375 A409 M410 I414 E415 L416 | I375-T412 HydrophobicContact CG1-CG2 3.93Å; A409-T412 WeakPolarHBondContact O-CA 3.26Å; A409-T412 WeakPolarHBondContact O-CB 3.34Å; A409-T412 PolarHBondContact O-N 3.45Å; M410-T412 VanDerWaalsContact C-N 3.27Å; M410-T412 PolarHBondContact O-N 3.18Å; T412-I414 VanDerWaalsContact C-N 3.35Å; T412-I414 PolarHBondContact O-N 2.93Å; T412-E415 WeakPolarHBondContact O-CB 3.36Å; T412-E415 PolarHBondContact O-N 3.44Å; T412-L416 HydrophobicContact CG2-CD1 3.84Å; T412-L416 HydrophobicContact CG2-CG 4.35Å; T412-L416 WeakPolarHBondContact O-CB 3.14Å; T412-L416 VanDerWaalsContact O-CG 3.25Å; T412-L416 WeakPolarHBondContact O-CG 3.34Å; T412-L416 PolarHBondContact O-N 2.92Å |
| 413 | L | 96.9 | Very high | 95.3 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 175.7 | -66.7 | 172.9 | 0 | 0 | 0 | 111.8 | I387 F390 A409 M410 E415 L416 M417 T428 T431 I435 | I387-L413 HydrophobicContact CG2-CD2 4.33Å; F390-L413 HydrophobicContact CD1-CD1 4.49Å; F390-L413 HydrophobicContact CE1-CD1 4.07Å; A409-L413 HydrophobicContact CB-CD1 4.31Å; A409-L413 PolarHBondContact O-N 2.76Å; M410-L413 PolarHBondContact O-N 2.94Å; L413-E415 VanDerWaalsContact C-N 3.28Å; L413-E415 PolarHBondContact O-N 2.91Å; L413-L416 PolarHBondContact O-N 3.46Å; L413-L416 VanDerWaalsContact O-N 3.13Å; L413-M417 WeakPolarHBondContact O-CG 3.28Å; L413-M417 PolarHBondContact O-N 3.05Å; L413-T428 HydrophobicContact CB-CG2 4.42Å; L413-T428 HydrophobicContact CD2-CG2 4.25Å; L413-T428 WeakPolarHBondContact O-CG2 3.5Å; L413-T431 HydrophobicContact CD1-CG2 4.48Å; L413-T431 HydrophobicContact CD2-CG2 4.24Å; L413-I435 HydrophobicContact CD1-CD1 3.35Å |
| 414 | I | 95.9 | Very high | 95.7 | Very high | 27 Ų | 27 | 44 Ų | 44 | 14% | 0.138 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.3 | -37 | 174.9 | -68.5 | 167.1 | 0 | 0 | 0 | 111.4 | M410 T412 Y448 P451 L452 | M410-I414 VanDerWaalsContact O-CG1 3.31Å; M410-I414 WeakPolarHBondContact O-CG1 3.38Å; M410-I414 PolarHBondContact O-N 3.43Å; T412-I414 VanDerWaalsContact C-N 3.35Å; T412-I414 PolarHBondContact O-N 2.93Å; I414-Y448 HydrophobicContact CD1-CD1 4.23Å; I414-P451 HydrophobicContact CD1-CB 4.33Å; I414-P451 HydrophobicContact CD1-CG 4.12Å; I414-P451 HydrophobicContact CG2-CB 4.4Å; I414-L452 HydrophobicContact CG1-CD1 4.47Å |
| 415 | E | 96.3 | Very high | 95.9 | Very high | 126 Ų | 126 | 42.8 Ų | 42.8 | 59% | 0.589 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -66 | -43.9 | 173.2 | -175.4 | -178.9 | 173.7 | 0 | 0 | 111.4 | P411 T412 L413 M417 K418 | P411-E415 PolarHBondContact O-N 3.44Å; T412-E415 WeakPolarHBondContact O-CB 3.36Å; T412-E415 PolarHBondContact O-N 3.44Å; L413-E415 VanDerWaalsContact C-N 3.28Å; L413-E415 PolarHBondContact O-N 2.91Å; E415-M417 VanDerWaalsContact C-N 3.32Å; E415-M417 PolarHBondContact O-N 3.15Å; E415-K418 PolarHBondContact O-N 3.11Å |
| 416 | L | 97.5 | Very high | 96 | Very high | 11 Ų | 11 | 41.8 Ų | 41.8 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.5 | -22.7 | -177 | -70.1 | 164.8 | 0 | 0 | 0 | 113.8 | I375 I387 T412 L413 K418 D419 V424 T428 | I375-L416 HydrophobicContact CD1-CD1 3.74Å; I375-L416 HydrophobicContact CG1-CD1 4.19Å; I387-L416 HydrophobicContact CD1-CB 4.42Å; I387-L416 HydrophobicContact CD1-CD1 3.67Å; I387-L416 HydrophobicContact CD1-CD2 4.25Å; I387-L416 HydrophobicContact CD1-CG 4.34Å; I387-L416 HydrophobicContact CG1-CD1 3.89Å; T412-L416 HydrophobicContact CG2-CD1 3.84Å; T412-L416 HydrophobicContact CG2-CG 4.35Å; T412-L416 WeakPolarHBondContact O-CB 3.14Å; T412-L416 VanDerWaalsContact O-CG 3.25Å; T412-L416 WeakPolarHBondContact O-CG 3.34Å; T412-L416 PolarHBondContact O-N 2.92Å; L413-L416 PolarHBondContact O-N 3.46Å; L413-L416 VanDerWaalsContact O-N 3.13Å; L416-K418 PolarHBondContact O-N 2.95Å; L416-D419 VanDerWaalsContact O-CB 3.27Å; L416-D419 WeakPolarHBondContact O-CB 3.41Å; L416-D419 PolarHBondContact O-N 3.32Å; L416-V424 HydrophobicContact CB-CG1 4.48Å; L416-V424 HydrophobicContact CD2-CG1 3.95Å; L416-T428 HydrophobicContact CB-CG2 3.93Å |
| 417 | M | 97.3 | Very high | 96.1 | Very high | 15 Ų | 15 | 42.2 Ų | 42.2 | 7% | 0.074 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -17.1 | 166.9 | -73.1 | -61.9 | -67.4 | 0 | 0 | 112.7 | L413 E415 R425 T428 A429 V432 C455 L456 V470 | L413-M417 WeakPolarHBondContact O-CG 3.28Å; L413-M417 PolarHBondContact O-N 3.05Å; E415-M417 VanDerWaalsContact C-N 3.32Å; E415-M417 PolarHBondContact O-N 3.15Å; M417-R425 VanDerWaalsContact O-CD 3.28Å; M417-R425 WeakPolarHBondContact O-CD 3.36Å; M417-T428 HydrophobicContact CG-CG2 3.78Å; M417-T428 HydrophobicContact SD-CG2 3.6Å; M417-T428 VanDerWaalsContact SD-CG2 3.6Å; M417-A429 HydrophobicContact CE-CB 4.09Å; M417-A429 HydrophobicContact SD-CB 4.16Å; M417-V432 HydrophobicContact SD-CG2 4.41Å; M417-C455 HydrophobicContact CB-CB 4.16Å; M417-C455 HydrophobicContact CG-CB 4.38Å; M417-L456 HydrophobicContact CE-CD2 4.26Å; M417-V470 HydrophobicContact CE-CG2 3.99Å |
| 418 | K | 96.6 | Very high | 96.3 | Very high | 115 Ų | 115 | 39.9 Ų | 39.9 | 50% | 0.5 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 14.8 | 177.9 | -55.2 | -174 | 178.5 | -160.6 | 0 | 112.5 | E415 L416 E458 | E415-K418 PolarHBondContact O-N 3.11Å; L416-K418 PolarHBondContact O-N 2.95Å; K418-E458 VanDerWaalsContact CE-OE2 3.27Å; K418-E458 WeakPolarHBondContact CE-OE2 2.97Å; K418-E458 IonicContact NZ-OE1 2.89Å; K418-E458 IonicContact NZ-OE2 2.71Å; K418-E458 PolarHBondContact NZ-OE2 2.97Å |
| 419 | D | 98.1 | Very high | 96.6 | Very high | 14 Ų | 14 | 33.1 Ų | 33.1 | 8% | 0.075 | 18% | 0.182 | C | C | . | . | trans | -58.6 | 143.6 | 177 | -167.2 | -75.3 | 0 | 0 | 0 | 110.3 | R383 L416 S421 V424 R425 | R383-D419 IonicContact CZ-OD1 3.34Å; R383-D419 IonicContact CZ-OD2 3.59Å; R383-D419 IonicContact NE-OD2 3.45Å; R383-D419 PolarHBondContact NE-OD2 3.05Å; R383-D419 IonicContact NH2-OD1 2.68Å; R383-D419 PolarHBondContact NH2-OD1 2.94Å; R383-D419 IonicContact NH2-OD2 2.87Å; R383-D419 PolarHBondContact NH2-OD2 3.39Å; L416-D419 VanDerWaalsContact O-CB 3.27Å; L416-D419 WeakPolarHBondContact O-CB 3.41Å; L416-D419 PolarHBondContact O-N 3.32Å; D419-S421 PolarHBondContact O-N 2.9Å; D419-S421 WeakPolarHBondContact OD1-CB 3.35Å; D419-S421 PolarHBondContact OD1-N 3.1Å; D419-V424 HydrophobicContact CB-CB 3.91Å; D419-V424 HydrophobicContact CB-CG1 3.51Å; D419-V424 VanDerWaalsContact CG-CG1 3.48Å; D419-R425 HydrophobicContact CB-CG 4.28Å; D419-R425 VanDerWaalsContact O-CD 3.27Å; D419-R425 WeakPolarHBondContact O-CD 3.4Å; D419-R425 VanDerWaalsContact O-CG 3.31Å; D419-R425 WeakPolarHBondContact O-CG 3.44Å; D419-R425 PolarHBondContact O-NH1 2.92Å | ||
| 420 | P | 96.6 | Very high | 96.7 | Very high | 115 Ų | 115 | 34.3 Ų | 34.3 | 75% | 0.747 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -61.1 | -29.1 | 176.4 | 24 | -36.3 | 0 | 0 | 0 | 113.9 | R425 | P420-R425 PolarHBondContact O-NH1 3.34Å; P420-R425 VanDerWaalsContact O-NH1 3.16Å |
| 421 | S | 96.4 | Very high | 96.9 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 15% | 0.147 | 18% | 0.182 | C | C | . | . | trans | -78.4 | 126.9 | 178.3 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | D419 V423 V424 R425 | D419-S421 PolarHBondContact O-N 2.9Å; D419-S421 WeakPolarHBondContact OD1-CB 3.35Å; D419-S421 PolarHBondContact OD1-N 3.1Å; S421-V423 VanDerWaalsContact C-N 3.26Å; S421-V423 PolarHBondContact O-N 3.01Å; S421-V423 PolarHBondContact OG-N 3.42Å; S421-V424 PolarHBondContact O-N 3.12Å; S421-R425 WeakPolarHBondContact O-CG 3.32Å; S421-R425 PolarHBondContact O-N 3.24Å; S421-R425 VanDerWaalsContact O-N 3.17Å | ||
| 422 | V | 94.9 | Very high | 97 | Very high | 43 Ų | 43 | 31.2 Ų | 31.2 | 26% | 0.261 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.3 | -41.2 | 174.5 | -172.5 | 0 | 0 | 0 | 0 | 110.6 | V424 R425 D426 E463 R465 V466 | V422-V424 VanDerWaalsContact C-N 3.34Å; V422-V424 PolarHBondContact O-N 3.27Å; V422-R425 PolarHBondContact O-N 2.85Å; V422-D426 WeakPolarHBondContact O-CB 3.29Å; V422-D426 PolarHBondContact O-N 3.29Å; V422-E463 HydrophobicContact CG1-CB 4.12Å; V422-E463 HydrophobicContact CG1-CG 4.17Å; V422-E463 HydrophobicContact CG2-CG 4.4Å; V422-E463 WeakPolarHBondContact CG2-OE1 3.42Å; V422-R465 HydrophobicContact CG1-CG 3.98Å; V422-V466 HydrophobicContact CG1-CG2 3.72Å |
| 423 | V | 95.3 | Very high | 97 | Very high | 17 Ų | 17 | 29.6 Ų | 29.6 | 10% | 0.103 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.1 | -44.5 | -178.8 | -175.6 | 0 | 0 | 0 | 0 | 111.2 | W380 D384 S421 R425 D426 T427 | W380-V423 HydrophobicContact CE3-CB 3.93Å; W380-V423 HydrophobicContact CE3-CG1 4.13Å; W380-V423 HydrophobicContact CE3-CG2 4.29Å; W380-V423 HydrophobicContact CH2-CB 4.46Å; W380-V423 HydrophobicContact CH2-CG1 4.44Å; W380-V423 HydrophobicContact CH2-CG2 4.06Å; W380-V423 HydrophobicContact CZ3-CB 3.64Å; W380-V423 HydrophobicContact CZ3-CG1 3.53Å; W380-V423 HydrophobicContact CZ3-CG2 3.73Å; D384-V423 HydrophobicContact CB-CG1 4.37Å; S421-V423 VanDerWaalsContact C-N 3.26Å; S421-V423 PolarHBondContact O-N 3.01Å; S421-V423 PolarHBondContact OG-N 3.42Å; V423-R425 PolarHBondContact O-N 3.48Å; V423-D426 WeakPolarHBondContact O-CB 3.48Å; V423-D426 PolarHBondContact O-N 2.93Å; V423-T427 PolarHBondContact O-N 3.02Å; V423-T427 VanDerWaalsContact O-N 3.08Å; V423-T427 PolarHBondContact O-OG1 3.07Å |
| 424 | V | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64 | -44 | 177.8 | 175.2 | 0 | 0 | 0 | 0 | 111 | W380 R383 D384 I387 L416 D419 S421 V422 D426 T428 | W380-V424 HydrophobicContact CB-CG2 4.1Å; R383-V424 HydrophobicContact CB-CG2 4.21Å; D384-V424 HydrophobicContact CB-CG2 4Å; I387-V424 HydrophobicContact CD1-CG1 3.59Å; L416-V424 HydrophobicContact CB-CG1 4.48Å; L416-V424 HydrophobicContact CD2-CG1 3.95Å; D419-V424 HydrophobicContact CB-CB 3.91Å; D419-V424 HydrophobicContact CB-CG1 3.51Å; D419-V424 VanDerWaalsContact CG-CG1 3.48Å; S421-V424 PolarHBondContact O-N 3.12Å; V422-V424 VanDerWaalsContact C-N 3.34Å; V422-V424 PolarHBondContact O-N 3.27Å; V424-D426 VanDerWaalsContact C-N 3.3Å; V424-D426 PolarHBondContact O-N 3.48Å; V424-T428 VanDerWaalsContact O-CB 3.3Å; V424-T428 WeakPolarHBondContact O-CB 3.37Å; V424-T428 PolarHBondContact O-N 3.34Å; V424-T428 PolarHBondContact O-OG1 3.44Å |
| 425 | R | 97.7 | Very high | 97 | Very high | 36 Ų | 36 | 29.7 Ų | 29.7 | 14% | 0.136 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.5 | -38.6 | 178.2 | -67.4 | -168.1 | -57.8 | -98.8 | 7.2 | 112 | M417 D419 P420 S421 V422 V423 T428 A429 E463 V466 | M417-R425 VanDerWaalsContact O-CD 3.28Å; M417-R425 WeakPolarHBondContact O-CD 3.36Å; D419-R425 HydrophobicContact CB-CG 4.28Å; D419-R425 VanDerWaalsContact O-CD 3.27Å; D419-R425 WeakPolarHBondContact O-CD 3.4Å; D419-R425 VanDerWaalsContact O-CG 3.31Å; D419-R425 WeakPolarHBondContact O-CG 3.44Å; D419-R425 PolarHBondContact O-NH1 2.92Å; P420-R425 PolarHBondContact O-NH1 3.34Å; P420-R425 VanDerWaalsContact O-NH1 3.16Å; S421-R425 WeakPolarHBondContact O-CG 3.32Å; S421-R425 PolarHBondContact O-N 3.24Å; S421-R425 VanDerWaalsContact O-N 3.17Å; V422-R425 PolarHBondContact O-N 2.85Å; V423-R425 PolarHBondContact O-N 3.48Å; R425-T428 PolarHBondContact O-N 3.35Å; R425-A429 WeakPolarHBondContact O-CB 3.39Å; R425-A429 PolarHBondContact O-N 3.05Å; R425-E463 IonicContact CZ-OE2 3.28Å; R425-E463 IonicContact NH2-OE1 2.67Å; R425-E463 PolarHBondContact NH2-OE1 2.93Å; R425-E463 IonicContact NH2-OE2 2.82Å; R425-E463 PolarHBondContact NH2-OE2 3.04Å; R425-V466 HydrophobicContact CB-CG1 4.09Å; R425-V466 HydrophobicContact CB-CG2 4.08Å |
| 426 | D | 95.5 | Very high | 97 | Very high | 19 Ų | 19 | 23.8 Ų | 23.8 | 10% | 0.102 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.3 | -56.6 | 178.6 | -178.3 | 35.9 | 0 | 0 | 0 | 112 | V422 V423 V424 T428 A429 W430 R465 V466 N469 | V422-D426 WeakPolarHBondContact O-CB 3.29Å; V422-D426 PolarHBondContact O-N 3.29Å; V423-D426 WeakPolarHBondContact O-CB 3.48Å; V423-D426 PolarHBondContact O-N 2.93Å; V424-D426 VanDerWaalsContact C-N 3.3Å; V424-D426 PolarHBondContact O-N 3.48Å; D426-T428 PolarHBondContact O-N 2.99Å; D426-A429 WeakPolarHBondContact O-CB 3.37Å; D426-A429 PolarHBondContact O-N 3.39Å; D426-W430 PolarHBondContact O-N 3.46Å; D426-R465 HydrophobicContact CB-CG 4.12Å; D426-R465 VanDerWaalsContact CG-NE 3.25Å; D426-R465 IonicContact OD2-CZ 3.55Å; D426-R465 IonicContact OD2-NE 2.94Å; D426-R465 PolarHBondContact OD2-NE 3.31Å; D426-R465 IonicContact OD2-NH2 3.69Å; D426-R465 PolarHBondContact OD2-NH2 3.4Å; D426-V466 HydrophobicContact CB-CG2 4.02Å; D426-N469 PolarHBondContact OD1-ND2 2.88Å |
| 427 | T | 97 | Very high | 96.9 | Very high | 8 Ų | 8 | 28.1 Ų | 28.1 | 5% | 0.049 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.1 | -32.7 | 176.5 | -54.6 | 0 | 0 | 0 | 0 | 112.1 | D384 I387 M388 V423 T431 | D384-T427 WeakPolarHBondContact OD1-CB 3.47Å; D384-T427 PolarHBondContact OD1-OG1 2.75Å; I387-T427 HydrophobicContact CB-CG2 4.08Å; I387-T427 HydrophobicContact CG2-CG2 3.92Å; M388-T427 HydrophobicContact CB-CG2 3.78Å; M388-T427 HydrophobicContact CE-CG2 3.8Å; M388-T427 HydrophobicContact SD-CG2 4.43Å; V423-T427 PolarHBondContact O-N 3.02Å; V423-T427 VanDerWaalsContact O-N 3.08Å; V423-T427 PolarHBondContact O-OG1 3.07Å; T427-T431 WeakPolarHBondContact O-CB 3.18Å; T427-T431 PolarHBondContact O-N 2.95Å; T427-T431 PolarHBondContact O-OG1 3.41Å |
| 428 | T | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.3 | -42.9 | 174 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | L413 L416 M417 V424 R425 D426 T431 V432 | L413-T428 HydrophobicContact CB-CG2 4.42Å; L413-T428 HydrophobicContact CD2-CG2 4.25Å; L413-T428 WeakPolarHBondContact O-CG2 3.5Å; L416-T428 HydrophobicContact CB-CG2 3.93Å; M417-T428 HydrophobicContact CG-CG2 3.78Å; M417-T428 HydrophobicContact SD-CG2 3.6Å; M417-T428 VanDerWaalsContact SD-CG2 3.6Å; V424-T428 VanDerWaalsContact O-CB 3.3Å; V424-T428 WeakPolarHBondContact O-CB 3.37Å; V424-T428 PolarHBondContact O-N 3.34Å; V424-T428 PolarHBondContact O-OG1 3.44Å; R425-T428 PolarHBondContact O-N 3.35Å; D426-T428 PolarHBondContact O-N 2.99Å; T428-T431 PolarHBondContact O-N 3.33Å; T428-V432 HydrophobicContact CG2-CG2 4.48Å; T428-V432 WeakPolarHBondContact O-CB 3.42Å; T428-V432 WeakPolarHBondContact O-CG2 3.28Å; T428-V432 PolarHBondContact O-N 3.34Å |
| 429 | A | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.9 | -44.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | M417 R425 D426 V432 G433 N469 V470 | M417-A429 HydrophobicContact CE-CB 4.09Å; M417-A429 HydrophobicContact SD-CB 4.16Å; R425-A429 WeakPolarHBondContact O-CB 3.39Å; R425-A429 PolarHBondContact O-N 3.05Å; D426-A429 WeakPolarHBondContact O-CB 3.37Å; D426-A429 PolarHBondContact O-N 3.39Å; A429-V432 PolarHBondContact O-N 2.95Å; A429-G433 PolarHBondContact O-N 3.29Å; A429-N469 HydrophobicContact CB-CB 3.81Å; A429-V470 HydrophobicContact CB-CG2 3.78Å |
| 430 | W | 97.6 | Very high | 96.2 | Very high | 47 Ų | 47 | 25.5 Ų | 25.5 | 18% | 0.178 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.2 | -45.6 | 172.8 | 177.5 | 81.6 | 0 | 0 | 0 | 112.1 | M353 M388 D426 V432 G433 R434 W472 | M353-W430 HydrophobicContact SD-CH2 4.17Å; M353-W430 HydrophobicContact SD-CZ2 4.17Å; M388-W430 HydrophobicContact SD-CE3 4.23Å; M388-W430 HydrophobicContact SD-CH2 4.18Å; M388-W430 HydrophobicContact SD-CZ3 3.72Å; D426-W430 PolarHBondContact O-N 3.46Å; W430-V432 VanDerWaalsContact C-N 3.29Å; W430-V432 PolarHBondContact O-N 2.95Å; W430-G433 PolarHBondContact O-N 2.95Å; W430-R434 HydrophobicContact CD2-CG 4.25Å; W430-R434 HydrophobicContact CH2-CG 4.23Å; W430-R434 HydrophobicContact CZ2-CG 3.91Å; W430-R434 PolarHBondContact O-N 2.97Å; W430-W472 WeakPolarHBondContact O-CZ3 3.44Å |
| 431 | T | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.1 | -35.9 | 178.3 | -60 | 0 | 0 | 0 | 0 | 112.1 | I387 F390 L394 L413 T427 T428 R434 I435 | I387-T431 HydrophobicContact CG2-CG2 4.32Å; I387-T431 WeakPolarHBondContact CG2-OG1 3.47Å; I387-T431 PolarHBondContact O-OG1 2.99Å; F390-T431 HydrophobicContact CD1-CG2 3.82Å; F390-T431 HydrophobicContact CE1-CG2 4.46Å; L394-T431 HydrophobicContact CD1-CG2 4.47Å; L413-T431 HydrophobicContact CD1-CG2 4.48Å; L413-T431 HydrophobicContact CD2-CG2 4.24Å; T427-T431 WeakPolarHBondContact O-CB 3.18Å; T427-T431 PolarHBondContact O-N 2.95Å; T427-T431 PolarHBondContact O-OG1 3.41Å; T428-T431 PolarHBondContact O-N 3.33Å; T431-R434 PolarHBondContact O-N 2.95Å; T431-I435 HydrophobicContact CG2-CD1 4.36Å; T431-I435 VanDerWaalsContact O-CG1 3.3Å; T431-I435 WeakPolarHBondContact O-CG1 3.48Å; T431-I435 PolarHBondContact O-N 3.18Å |
| 432 | V | 98.1 | Very high | 95.7 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.018 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.7 | -44.8 | 173.6 | 164.3 | 0 | 0 | 0 | 0 | 111.1 | M417 T428 A429 W430 R434 I435 C436 L452 L456 A473 | M417-V432 HydrophobicContact SD-CG2 4.41Å; T428-V432 HydrophobicContact CG2-CG2 4.48Å; T428-V432 WeakPolarHBondContact O-CB 3.42Å; T428-V432 WeakPolarHBondContact O-CG2 3.28Å; T428-V432 PolarHBondContact O-N 3.34Å; A429-V432 PolarHBondContact O-N 2.95Å; W430-V432 VanDerWaalsContact C-N 3.29Å; W430-V432 PolarHBondContact O-N 2.95Å; V432-R434 VanDerWaalsContact C-N 3.32Å; V432-R434 PolarHBondContact O-N 3.42Å; V432-I435 WeakPolarHBondContact O-CB 3.21Å; V432-I435 PolarHBondContact O-N 3.4Å; V432-I435 VanDerWaalsContact O-N 3.13Å; V432-C436 PolarHBondContact O-N 3.49Å; V432-C436 PolarHBondContact O-SG 3.18Å; V432-L452 HydrophobicContact CG1-CD1 3.72Å; V432-L452 HydrophobicContact CG1-CD2 4.44Å; V432-L452 HydrophobicContact CG1-CG 4.47Å; V432-L452 HydrophobicContact CG2-CD1 4.26Å; V432-L456 HydrophobicContact CG1-CD2 4.16Å; V432-A473 HydrophobicContact CG1-CB 4.34Å |
| 433 | G | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.7 | -41.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A429 W430 I435 C436 E437 W472 | A429-G433 PolarHBondContact O-N 3.29Å; W430-G433 PolarHBondContact O-N 2.95Å; G433-I435 VanDerWaalsContact C-N 3.31Å; G433-I435 PolarHBondContact O-N 2.97Å; G433-C436 WeakPolarHBondContact O-CA 3.28Å; G433-C436 WeakPolarHBondContact O-CB 3.46Å; G433-C436 PolarHBondContact O-N 3.2Å; G433-E437 PolarHBondContact O-N 3.44Å; G433-W472 VanDerWaalsContact C-CH2 3.41Å |
| 434 | R | 96.6 | Very high | 95.4 | Very high | 31 Ų | 31 | 23.7 Ų | 23.7 | 12% | 0.117 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.8 | -39.4 | 172.5 | -77.6 | -74.6 | -171.8 | 150.4 | -16 | 112.6 | L394 E395 W430 T431 V432 E437 L438 W472 | L394-R434 HydrophobicContact CD1-CB 3.8Å; E395-R434 IonicContact OE2-CZ 3.25Å; E395-R434 IonicContact OE2-NH1 3.16Å; E395-R434 PolarHBondContact OE2-NH1 2.88Å; W430-R434 HydrophobicContact CD2-CG 4.25Å; W430-R434 HydrophobicContact CH2-CG 4.23Å; W430-R434 HydrophobicContact CZ2-CG 3.91Å; W430-R434 PolarHBondContact O-N 2.97Å; T431-R434 PolarHBondContact O-N 2.95Å; V432-R434 VanDerWaalsContact C-N 3.32Å; V432-R434 PolarHBondContact O-N 3.42Å; R434-E437 PolarHBondContact O-N 3.06Å; R434-L438 WeakPolarHBondContact O-CB 3.49Å; R434-L438 WeakPolarHBondContact O-CG 3.3Å; R434-L438 PolarHBondContact O-N 3.45Å; R434-W472 HydrophobicContact CB-CH2 4.42Å; R434-W472 HydrophobicContact CG-CH2 3.88Å; R434-W472 HydrophobicContact CG-CZ3 4.27Å; R434-W472 VanDerWaalsContact N-CH2 3.33Å; R434-W472 VanDerWaalsContact N-CZ3 3.31Å |
| 435 | I | 97.1 | Very high | 95.1 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.015 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.8 | -41.6 | 174.5 | -69 | 164.3 | 0 | 0 | 0 | 110.7 | F390 L394 V406 M410 L413 T431 V432 G433 E437 Q439 A442 A443 | F390-I435 HydrophobicContact CE1-CD1 4.3Å; L394-I435 HydrophobicContact CD1-CG1 3.61Å; V406-I435 HydrophobicContact CG1-CB 4.5Å; V406-I435 HydrophobicContact CG1-CD1 3.91Å; V406-I435 HydrophobicContact CG1-CG1 3.92Å; V406-I435 HydrophobicContact CG1-CG2 3.75Å; M410-I435 HydrophobicContact SD-CD1 4.23Å; M410-I435 HydrophobicContact SD-CG2 4.32Å; L413-I435 HydrophobicContact CD1-CD1 3.35Å; T431-I435 HydrophobicContact CG2-CD1 4.36Å; T431-I435 VanDerWaalsContact O-CG1 3.3Å; T431-I435 WeakPolarHBondContact O-CG1 3.48Å; T431-I435 PolarHBondContact O-N 3.18Å; V432-I435 WeakPolarHBondContact O-CB 3.21Å; V432-I435 PolarHBondContact O-N 3.4Å; V432-I435 VanDerWaalsContact O-N 3.13Å; G433-I435 VanDerWaalsContact C-N 3.31Å; G433-I435 PolarHBondContact O-N 2.97Å; I435-E437 VanDerWaalsContact C-N 3.31Å; I435-E437 PolarHBondContact O-N 3.48Å; I435-Q439 HydrophobicContact CG2-CB 4.48Å; I435-Q439 CarbonylContact O-C 3.55Å; I435-Q439 VanDerWaalsContact O-CA 3.26Å; I435-Q439 WeakPolarHBondContact O-CA 3.37Å; I435-Q439 PolarHBondContact O-N 3.42Å; I435-A442 HydrophobicContact CG2-CB 4.26Å; I435-A443 HydrophobicContact CG2-CB 4.39Å |
| 436 | C | 95.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62 | -39.7 | 176.8 | -65.3 | 0 | 0 | 0 | 0 | 112 | V432 G433 P440 L477 A480 | V432-C436 PolarHBondContact O-N 3.49Å; V432-C436 PolarHBondContact O-SG 3.18Å; G433-C436 WeakPolarHBondContact O-CA 3.28Å; G433-C436 WeakPolarHBondContact O-CB 3.46Å; G433-C436 PolarHBondContact O-N 3.2Å; C436-P440 WeakPolarHBondContact O-CB 3.4Å; C436-L477 HydrophobicContact CB-CB 4.21Å; C436-A480 WeakPolarHBondContact O-CB 3.43Å |
| 437 | E | 94.8 | Very high | 94.5 | Very high | 102 Ų | 102 | 38.1 Ų | 38.1 | 48% | 0.477 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -71.4 | -51.2 | 179.1 | -179.1 | -179.9 | -152.4 | 0 | 0 | 112.4 | G433 R434 I435 W472 | G433-E437 PolarHBondContact O-N 3.44Å; R434-E437 PolarHBondContact O-N 3.06Å; I435-E437 VanDerWaalsContact C-N 3.31Å; I435-E437 PolarHBondContact O-N 3.48Å; E437-W472 WeakPolarHBondContact OE2-CZ2 3.29Å |
| 438 | L | 93.8 | Very high | 94.4 | Very high | 40 Ų | 40 | 39.7 Ų | 39.7 | 21% | 0.209 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -97.3 | -30.3 | -167.8 | -59.1 | 170.4 | 0 | 0 | 0 | 113.5 | L394 E395 R434 P440 | L394-L438 HydrophobicContact CB-CD1 3.87Å; E395-L438 HydrophobicContact CB-CD1 3.73Å; E395-L438 HydrophobicContact CG-CD1 4.29Å; E395-L438 HydrophobicContact CG-CD2 4.3Å; R434-L438 WeakPolarHBondContact O-CB 3.49Å; R434-L438 WeakPolarHBondContact O-CG 3.3Å; R434-L438 PolarHBondContact O-N 3.45Å; L438-P440 VanDerWaalsContact C-CD 3.42Å |
| 439 | Q | 91.9 | Very high | 94.2 | Very high | 12 Ų | 12 | 40.7 Ų | 40.7 | 6% | 0.056 | 20% | 0.197 | C | C | . | . | trans | -132.7 | 54.5 | -177.1 | -59.3 | -139.3 | -29.7 | 0 | 0 | 112.6 | L399 K403 I435 E441 A442 | L399-Q439 HydrophobicContact CD2-CG 4.24Å; L399-Q439 PolarHBondContact O-NE2 3.42Å; K403-Q439 VanDerWaalsContact CA-OE1 3.31Å; I435-Q439 HydrophobicContact CG2-CB 4.48Å; I435-Q439 CarbonylContact O-C 3.55Å; I435-Q439 VanDerWaalsContact O-CA 3.26Å; I435-Q439 WeakPolarHBondContact O-CA 3.37Å; I435-Q439 PolarHBondContact O-N 3.42Å; Q439-E441 PolarHBondContact O-N 3.36Å; Q439-A442 PolarHBondContact O-N 2.94Å | ||
| 440 | P | 92.3 | Very high | 94 | Very high | 37 Ų | 37 | 43.9 Ų | 43.9 | 24% | 0.24 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.4 | -30.2 | -169.9 | 21.8 | -34.5 | 0 | 0 | 0 | 114 | C436 L438 A442 A443 I444 A480 | C436-P440 WeakPolarHBondContact O-CB 3.4Å; L438-P440 VanDerWaalsContact C-CD 3.42Å; P440-A442 PolarHBondContact O-N 2.91Å; P440-A442 VanDerWaalsContact O-N 3.16Å; P440-A443 PolarHBondContact O-N 3.2Å; P440-I444 HydrophobicContact CB-CD1 4Å; P440-I444 WeakPolarHBondContact O-CB 3.22Å; P440-I444 WeakPolarHBondContact O-CG1 3.19Å; P440-I444 PolarHBondContact O-N 2.89Å; P440-A480 HydrophobicContact CB-CB 3.46Å; P440-A480 VanDerWaalsContact CB-CB 3.46Å; P440-A480 HydrophobicContact CG-CB 4.29Å |
| 441 | E | 90.6 | Very high | 94 | Very high | 119 Ų | 119 | 43.9 Ų | 43.9 | 56% | 0.556 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -58.6 | -28.5 | 177.9 | -59.8 | -177.4 | 159.6 | 0 | 0 | 113.5 | K403 Q439 H445 | K403-E441 WeakPolarHBondContact CE-OE2 3.41Å; K403-E441 IonicContact NZ-OE2 3.47Å; K403-E441 PolarHBondContact NZ-OE2 3.01Å; Q439-E441 PolarHBondContact O-N 3.36Å; E441-H445 PolarHBondContact O-N 3.03Å |
| 442 | A | 91.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.017 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -76.1 | -34.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V406 I407 I435 Q439 P440 H445 | V406-A442 HydrophobicContact CB-CB 4.41Å; V406-A442 HydrophobicContact CG1-CB 3.62Å; I407-A442 HydrophobicContact CG1-CB 4.09Å; I435-A442 HydrophobicContact CG2-CB 4.26Å; Q439-A442 PolarHBondContact O-N 2.94Å; P440-A442 PolarHBondContact O-N 2.91Å; P440-A442 VanDerWaalsContact O-N 3.16Å; A442-H445 WeakPolarHBondContact O-CB 3.28Å |
| 443 | A | 91.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -78 | -43.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I435 P440 H445 L449 L452 L477 | I435-A443 HydrophobicContact CG2-CB 4.39Å; P440-A443 PolarHBondContact O-N 3.2Å; A443-H445 PolarHBondContact O-N 3.31Å; A443-L449 WeakPolarHBondContact O-CA 3.36Å; A443-L452 HydrophobicContact CB-CD2 3.87Å; A443-L477 HydrophobicContact CB-CD1 4.31Å |
| 444 | I | 92 | Very high | 93.7 | Very high | 38 Ų | 38 | 49.6 Ų | 49.6 | 20% | 0.195 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -78.4 | 4.4 | -179.6 | -56.4 | 166 | 0 | 0 | 0 | 111.7 | P440 L477 A480 A481 A484 C498 | P440-I444 HydrophobicContact CB-CD1 4Å; P440-I444 WeakPolarHBondContact O-CB 3.22Å; P440-I444 WeakPolarHBondContact O-CG1 3.19Å; P440-I444 PolarHBondContact O-N 2.89Å; I444-L477 HydrophobicContact CG1-CD1 4.13Å; I444-A480 HydrophobicContact CD1-CB 4.1Å; I444-A481 HydrophobicContact CD1-CB 4.47Å; I444-A484 HydrophobicContact CD1-CB 4.19Å; I444-C498 HydrophobicContact CG2-CB 4.43Å |
| 445 | H | 90.8 | Very high | 93.7 | Very high | 75 Ų | 75 | 48.4 Ų | 48.4 | 35% | 0.347 | 25% | 0.254 | S | S | . | . | trans | -63.2 | 136.4 | 177.9 | -168.2 | -90.1 | 0 | 0 | 0 | 112.3 | E441 A442 A443 V447 Y448 L449 | E441-H445 PolarHBondContact O-N 3.03Å; A442-H445 WeakPolarHBondContact O-CB 3.28Å; A443-H445 PolarHBondContact O-N 3.31Å; H445-V447 PolarHBondContact ND1-N 3.13Å; H445-V447 PolarHBondContact O-N 2.79Å; H445-Y448 HydrophobicContact CB-CD2 3.99Å; H445-Y448 AromaticContact ND1-CD2 3.87Å; H445-Y448 PolarHBondContact O-N 3.2Å; H445-L449 PolarHBondContact O-N 3.46Å | ||
| 446 | E | 87.9 | Confident | 93.7 | Very high | 192 Ų | 192 | 48.3 Ų | 48.3 | 90% | 0.897 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -31.8 | -175 | -64.9 | -174.5 | 167.1 | 0 | 0 | 114.2 | ||
| 447 | V | 92.4 | Very high | 93.8 | Very high | 90 Ų | 90 | 50.1 Ų | 50.1 | 55% | 0.545 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -32.9 | -179.5 | 179.6 | 0 | 0 | 0 | 0 | 112.7 | H445 | H445-V447 PolarHBondContact ND1-N 3.13Å; H445-V447 PolarHBondContact O-N 2.79Å |
| 448 | Y | 94.6 | Very high | 93.9 | Very high | 42 Ų | 42 | 49.7 Ų | 49.7 | 17% | 0.165 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -25.7 | -167.4 | -58.6 | -51.6 | 0 | 0 | 0 | 113.7 | I407 M410 P411 I414 H445 A450 P451 L452 | I407-Y448 HydrophobicContact CG2-CE2 4.24Å; M410-Y448 HydrophobicContact CB-CD1 4.08Å; M410-Y448 HydrophobicContact CB-CD2 3.91Å; M410-Y448 HydrophobicContact CB-CE1 4.17Å; M410-Y448 HydrophobicContact CB-CE2 4Å; M410-Y448 HydrophobicContact CB-CG 3.97Å; M410-Y448 HydrophobicContact CE-CG 4.48Å; M410-Y448 HydrophobicContact CG-CD2 4Å; M410-Y448 HydrophobicContact CG-CE2 4.3Å; M410-Y448 HydrophobicContact CG-CG 4.35Å; P411-Y448 HydrophobicContact CG-CE1 3.93Å; I414-Y448 HydrophobicContact CD1-CD1 4.23Å; H445-Y448 HydrophobicContact CB-CD2 3.99Å; H445-Y448 AromaticContact ND1-CD2 3.87Å; H445-Y448 PolarHBondContact O-N 3.2Å; Y448-A450 PolarHBondContact O-N 3.03Å; Y448-P451 WeakPolarHBondContact O-CD 3.33Å; Y448-P451 VanDerWaalsContact O-CG 3.24Å; Y448-P451 WeakPolarHBondContact O-CG 3.41Å; Y448-L452 WeakPolarHBondContact O-CB 3.37Å; Y448-L452 PolarHBondContact O-N 3.09Å |
| 449 | L | 94.4 | Very high | 94 | Very high | 20 Ų | 20 | 48.2 Ų | 48.2 | 11% | 0.105 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.5 | -49.2 | -176.6 | 179.6 | 61.6 | 0 | 0 | 0 | 112.5 | A443 H445 L452 L453 L477 C498 L499 | A443-L449 WeakPolarHBondContact O-CA 3.36Å; H445-L449 PolarHBondContact O-N 3.46Å; L449-L452 PolarHBondContact O-N 2.93Å; L449-L453 HydrophobicContact CD1-CD1 3.92Å; L449-L453 HydrophobicContact CD1-CG 3.96Å; L449-L453 HydrophobicContact CG-CD1 3.93Å; L449-L453 HydrophobicContact CG-CG 4.38Å; L449-L453 WeakPolarHBondContact O-CB 3.46Å; L449-L453 VanDerWaalsContact O-CG 3.31Å; L449-L453 WeakPolarHBondContact O-CG 3.45Å; L449-L453 PolarHBondContact O-N 3.08Å; L449-L477 HydrophobicContact CD1-CD1 4.39Å; L449-L477 HydrophobicContact CD1-CD2 4.47Å; L449-C498 HydrophobicContact CD2-CB 3.69Å; L449-L499 HydrophobicContact CD1-CD2 4.39Å |
| 450 | A | 95.2 | Very high | 94.3 | Very high | 68 Ų | 68 | 47.8 Ų | 47.8 | 56% | 0.562 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -60.7 | -52.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y448 L452 L453 Q454 | Y448-A450 PolarHBondContact O-N 3.03Å; A450-L452 VanDerWaalsContact C-N 3.31Å; A450-L452 PolarHBondContact O-N 2.92Å; A450-L453 PolarHBondContact O-N 3.49Å; A450-Q454 PolarHBondContact O-N 2.72Å; A450-Q454 VanDerWaalsContact O-N 3.09Å |
| 451 | P | 96.2 | Very high | 94.5 | Very high | 47 Ų | 47 | 49.1 Ų | 49.1 | 31% | 0.305 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.6 | -31.1 | 176.4 | 24.2 | -32.8 | 0 | 0 | 0 | 113.1 | I414 Y448 Q454 C455 | I414-P451 HydrophobicContact CD1-CB 4.33Å; I414-P451 HydrophobicContact CD1-CG 4.12Å; I414-P451 HydrophobicContact CG2-CB 4.4Å; Y448-P451 WeakPolarHBondContact O-CD 3.33Å; Y448-P451 VanDerWaalsContact O-CG 3.24Å; Y448-P451 WeakPolarHBondContact O-CG 3.41Å; P451-Q454 PolarHBondContact O-N 2.99Å; P451-C455 PolarHBondContact O-N 3.3Å; P451-C455 PolarHBondContact O-SG 3.1Å |
| 452 | L | 95.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.4 | -51.1 | 175.2 | -174.8 | 64 | 0 | 0 | 0 | 111.2 | M410 I414 V432 A443 Y448 L449 A450 Q454 C455 L456 | M410-L452 HydrophobicContact CE-CD2 4.16Å; I414-L452 HydrophobicContact CG1-CD1 4.47Å; V432-L452 HydrophobicContact CG1-CD1 3.72Å; V432-L452 HydrophobicContact CG1-CD2 4.44Å; V432-L452 HydrophobicContact CG1-CG 4.47Å; V432-L452 HydrophobicContact CG2-CD1 4.26Å; A443-L452 HydrophobicContact CB-CD2 3.87Å; Y448-L452 WeakPolarHBondContact O-CB 3.37Å; Y448-L452 PolarHBondContact O-N 3.09Å; L449-L452 PolarHBondContact O-N 2.93Å; A450-L452 VanDerWaalsContact C-N 3.31Å; A450-L452 PolarHBondContact O-N 2.92Å; L452-Q454 VanDerWaalsContact C-N 3.26Å; L452-Q454 PolarHBondContact O-N 2.87Å; L452-C455 PolarHBondContact O-N 3.05Å; L452-L456 HydrophobicContact CG-CD1 4.19Å; L452-L456 HydrophobicContact CG-CG 4.5Å; L452-L456 WeakPolarHBondContact O-CG 3.31Å; L452-L456 PolarHBondContact O-N 3.25Å |
| 453 | L | 95.9 | Very high | 94.9 | Very high | 14 Ų | 14 | 48 Ų | 48 | 7% | 0.073 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.5 | -42.1 | 175.9 | -75.4 | 173.6 | 0 | 0 | 0 | 111.6 | L449 A450 C455 L456 I457 F474 L477 L499 I506 | L449-L453 HydrophobicContact CD1-CD1 3.92Å; L449-L453 HydrophobicContact CD1-CG 3.96Å; L449-L453 HydrophobicContact CG-CD1 3.93Å; L449-L453 HydrophobicContact CG-CG 4.38Å; L449-L453 WeakPolarHBondContact O-CB 3.46Å; L449-L453 VanDerWaalsContact O-CG 3.31Å; L449-L453 WeakPolarHBondContact O-CG 3.45Å; L449-L453 PolarHBondContact O-N 3.08Å; A450-L453 PolarHBondContact O-N 3.49Å; L453-C455 VanDerWaalsContact C-N 3.33Å; L453-C455 PolarHBondContact O-N 3.35Å; L453-L456 PolarHBondContact O-N 2.91Å; L453-I457 WeakPolarHBondContact O-CB 3.2Å; L453-I457 WeakPolarHBondContact O-CG1 3.35Å; L453-I457 PolarHBondContact O-N 3.19Å; L453-F474 HydrophobicContact CD2-CE1 4.07Å; L453-L477 HydrophobicContact CD2-CD2 3.66Å; L453-L499 HydrophobicContact CD1-CD2 3.99Å; L453-L499 HydrophobicContact CD2-CD2 3.8Å; L453-L499 HydrophobicContact CG-CD2 4.44Å; L453-I506 HydrophobicContact CD2-CD1 4.28Å |
| 454 | Q | 95.9 | Very high | 95.1 | Very high | 107 Ų | 107 | 48.5 Ų | 48.5 | 50% | 0.5 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 175.4 | -176.4 | 178.2 | -4.3 | 0 | 0 | 111.7 | A450 P451 L452 I457 E458 | A450-Q454 PolarHBondContact O-N 2.72Å; A450-Q454 VanDerWaalsContact O-N 3.09Å; P451-Q454 PolarHBondContact O-N 2.99Å; L452-Q454 VanDerWaalsContact C-N 3.26Å; L452-Q454 PolarHBondContact O-N 2.87Å; Q454-I457 PolarHBondContact O-N 3.17Å; Q454-E458 WeakPolarHBondContact CG-OE1 3.24Å; Q454-E458 PolarHBondContact NE2-OE1 3.28Å; Q454-E458 WeakPolarHBondContact O-CB 3.2Å; Q454-E458 VanDerWaalsContact O-CG 3.29Å; Q454-E458 WeakPolarHBondContact O-CG 3.46Å; Q454-E458 PolarHBondContact O-N 3.38Å |
| 455 | C | 96.6 | Very high | 95.1 | Very high | 7 Ų | 7 | 48.6 Ų | 48.6 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.7 | -40.1 | 179.1 | -65.5 | 0 | 0 | 0 | 0 | 112.3 | M417 P451 L452 L453 E458 G459 | M417-C455 HydrophobicContact CB-CB 4.16Å; M417-C455 HydrophobicContact CG-CB 4.38Å; P451-C455 PolarHBondContact O-N 3.3Å; P451-C455 PolarHBondContact O-SG 3.1Å; L452-C455 PolarHBondContact O-N 3.05Å; L453-C455 VanDerWaalsContact C-N 3.33Å; L453-C455 PolarHBondContact O-N 3.35Å; C455-E458 PolarHBondContact O-N 3.36Å; C455-G459 PolarHBondContact O-N 3.2Å |
| 456 | L | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.5 | -43.5 | 176.6 | -65 | 175.8 | 0 | 0 | 0 | 111.2 | M417 V432 L452 L453 E458 G459 L460 V470 A473 F474 L477 | M417-L456 HydrophobicContact CE-CD2 4.26Å; V432-L456 HydrophobicContact CG1-CD2 4.16Å; L452-L456 HydrophobicContact CG-CD1 4.19Å; L452-L456 HydrophobicContact CG-CG 4.5Å; L452-L456 WeakPolarHBondContact O-CG 3.31Å; L452-L456 PolarHBondContact O-N 3.25Å; L453-L456 PolarHBondContact O-N 2.91Å; L456-E458 VanDerWaalsContact C-N 3.34Å; L456-E458 PolarHBondContact O-N 2.89Å; L456-G459 PolarHBondContact O-N 3.16Å; L456-G459 VanDerWaalsContact O-N 3.12Å; L456-L460 PolarHBondContact O-N 2.93Å; L456-L460 VanDerWaalsContact O-N 3.13Å; L456-V470 HydrophobicContact CB-CG1 4.24Å; L456-V470 HydrophobicContact CD2-CG1 4.14Å; L456-V470 HydrophobicContact CD2-CG2 4.44Å; L456-V470 WeakPolarHBondContact O-CG1 3.25Å; L456-A473 HydrophobicContact CD2-CB 3.99Å; L456-F474 HydrophobicContact CB-CD2 4.18Å; L456-F474 HydrophobicContact CB-CE1 3.97Å; L456-F474 HydrophobicContact CB-CE2 3.47Å; L456-F474 VanDerWaalsContact CB-CE2 3.47Å; L456-F474 HydrophobicContact CB-CZ 3.34Å; L456-F474 HydrophobicContact CD1-CD1 4.41Å; L456-F474 HydrophobicContact CD1-CE1 4.27Å; L456-F474 HydrophobicContact CD1-CZ 4.45Å; L456-L477 HydrophobicContact CD1-CD2 4.04Å |
| 457 | I | 97.4 | Very high | 95.8 | Very high | 39 Ų | 39 | 36 Ų | 36 | 20% | 0.2 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.7 | -43.2 | 175.4 | -69.7 | 170.1 | 0 | 0 | 0 | 111.2 | L453 Q454 G459 F474 I505 I506 K509 | L453-I457 WeakPolarHBondContact O-CB 3.2Å; L453-I457 WeakPolarHBondContact O-CG1 3.35Å; L453-I457 PolarHBondContact O-N 3.19Å; Q454-I457 PolarHBondContact O-N 3.17Å; I457-G459 VanDerWaalsContact C-N 3.33Å; I457-F474 HydrophobicContact CG1-CZ 3.87Å; I457-I505 HydrophobicContact CD1-CG2 4.12Å; I457-I506 HydrophobicContact CD1-CG1 4.39Å; I457-I506 HydrophobicContact CG1-CG1 4.48Å; I457-K509 HydrophobicContact CG2-CD 4.44Å; I457-K509 HydrophobicContact CG2-CG 4.12Å |
| 458 | E | 96.1 | Very high | 96 | Very high | 93 Ų | 93 | 32.9 Ų | 32.9 | 44% | 0.435 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.5 | -39.3 | 174.8 | -73.1 | 170.8 | -169.2 | 0 | 0 | 111.1 | K418 Q454 C455 L456 L460 G461 | K418-E458 VanDerWaalsContact CE-OE2 3.27Å; K418-E458 WeakPolarHBondContact CE-OE2 2.97Å; K418-E458 IonicContact NZ-OE1 2.89Å; K418-E458 IonicContact NZ-OE2 2.71Å; K418-E458 PolarHBondContact NZ-OE2 2.97Å; Q454-E458 WeakPolarHBondContact CG-OE1 3.24Å; Q454-E458 PolarHBondContact NE2-OE1 3.28Å; Q454-E458 WeakPolarHBondContact O-CB 3.2Å; Q454-E458 VanDerWaalsContact O-CG 3.29Å; Q454-E458 WeakPolarHBondContact O-CG 3.46Å; Q454-E458 PolarHBondContact O-N 3.38Å; C455-E458 PolarHBondContact O-N 3.36Å; L456-E458 VanDerWaalsContact C-N 3.34Å; L456-E458 PolarHBondContact O-N 2.89Å; E458-L460 VanDerWaalsContact C-N 3.33Å; E458-L460 PolarHBondContact O-N 2.69Å; E458-G461 PolarHBondContact O-N 3.43Å; E458-G461 VanDerWaalsContact O-N 3.13Å |
| 459 | G | 97 | Very high | 96.2 | Very high | 9 Ų | 9 | 32.8 Ų | 32.8 | 9% | 0.093 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.4 | -26.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | C455 L456 I457 G461 A462 | C455-G459 PolarHBondContact O-N 3.2Å; L456-G459 PolarHBondContact O-N 3.16Å; L456-G459 VanDerWaalsContact O-N 3.12Å; I457-G459 VanDerWaalsContact C-N 3.33Å; G459-G461 PolarHBondContact O-N 3.01Å; G459-G461 VanDerWaalsContact O-N 3.15Å; G459-A462 WeakPolarHBondContact O-CB 3.25Å; G459-A462 PolarHBondContact O-N 3.44Å |
| 460 | L | 97.2 | Very high | 96.3 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -24 | 172.3 | -71.8 | 174.8 | 0 | 0 | 0 | 112.9 | L456 E458 V470 C471 F474 K509 L510 R516 | L456-L460 PolarHBondContact O-N 2.93Å; L456-L460 VanDerWaalsContact O-N 3.13Å; E458-L460 VanDerWaalsContact C-N 3.33Å; E458-L460 PolarHBondContact O-N 2.69Å; L460-V470 HydrophobicContact CD2-CG1 3.82Å; L460-V470 HydrophobicContact CG-CG1 3.93Å; L460-C471 VanDerWaalsContact CD2-SG 3.51Å; L460-F474 HydrophobicContact CD1-CD2 4.21Å; L460-F474 HydrophobicContact CD1-CE2 3.66Å; L460-F474 HydrophobicContact CD2-CD2 4.25Å; L460-F474 HydrophobicContact CD2-CE2 4.31Å; L460-F474 HydrophobicContact CG-CD2 4.32Å; L460-F474 HydrophobicContact CG-CE2 3.88Å; L460-K509 HydrophobicContact CD1-CB 3.74Å; L460-L510 HydrophobicContact CD1-CD2 4.05Å; L460-L510 HydrophobicContact CD1-CG 4.34Å; L460-L510 HydrophobicContact CD2-CD2 3.83Å; L460-R516 PolarHBondContact O-NH1 3.32Å |
| 461 | G | 96.4 | Very high | 96.5 | Very high | 65 Ų | 65 | 28.6 Ų | 28.6 | 67% | 0.67 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 0.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | E458 G459 | E458-G461 PolarHBondContact O-N 3.43Å; E458-G461 VanDerWaalsContact O-N 3.13Å; G459-G461 PolarHBondContact O-N 3.01Å; G459-G461 VanDerWaalsContact O-N 3.15Å |
| 462 | A | 96.7 | Very high | 96.5 | Very high | 21 Ų | 21 | 30 Ų | 30 | 17% | 0.174 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -79.1 | -176 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G459 V466 R516 | G459-A462 WeakPolarHBondContact O-CB 3.25Å; G459-A462 PolarHBondContact O-N 3.44Å; A462-V466 HydrophobicContact CB-CB 3.94Å; A462-V466 HydrophobicContact CB-CG1 3.93Å; A462-R516 VanDerWaalsContact O-CZ 3.26Å; A462-R516 PolarHBondContact O-NH1 3Å; A462-R516 PolarHBondContact O-NH2 3.45Å |
| 463 | E | 95.6 | Very high | 96.6 | Very high | 78 Ų | 78 | 30 Ų | 30 | 36% | 0.364 | 17% | 0.166 | S | C | . | . | trans | -56.7 | 149.9 | 174.2 | -59.6 | 86.3 | 167.9 | 0 | 0 | 111.6 | V422 R425 R465 V466 A467 | V422-E463 HydrophobicContact CG1-CB 4.12Å; V422-E463 HydrophobicContact CG1-CG 4.17Å; V422-E463 HydrophobicContact CG2-CG 4.4Å; V422-E463 WeakPolarHBondContact CG2-OE1 3.42Å; R425-E463 IonicContact CZ-OE2 3.28Å; R425-E463 IonicContact NH2-OE1 2.67Å; R425-E463 PolarHBondContact NH2-OE1 2.93Å; R425-E463 IonicContact NH2-OE2 2.82Å; R425-E463 PolarHBondContact NH2-OE2 3.04Å; E463-R465 VanDerWaalsContact C-N 3.32Å; E463-R465 PolarHBondContact O-N 3.46Å; E463-R465 VanDerWaalsContact O-N 3.17Å; E463-V466 PolarHBondContact O-N 3.45Å; E463-A467 PolarHBondContact O-N 2.7Å | ||
| 464 | P | 94.9 | Very high | 96.7 | Very high | 10 Ų | 10 | 29.4 Ų | 29.4 | 7% | 0.065 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -51 | -42.1 | -173.4 | -32.1 | 38.1 | 0 | 0 | 0 | 115.7 | V466 A467 S468 D518 Q521 N522 L524 | P464-V466 PolarHBondContact O-N 3.46Å; P464-A467 PolarHBondContact O-N 3.36Å; P464-S468 VanDerWaalsContact O-CB 3.31Å; P464-S468 WeakPolarHBondContact O-CB 3.44Å; P464-S468 PolarHBondContact O-N 2.85Å; P464-D518 HydrophobicContact CG-CB 4.18Å; P464-D518 WeakPolarHBondContact CG-OD2 3.38Å; P464-Q521 HydrophobicContact CB-CB 3.83Å; P464-Q521 HydrophobicContact CG-CB 3.98Å; P464-N522 HydrophobicContact CB-CB 4.26Å; P464-L524 HydrophobicContact CB-CB 4.28Å; P464-L524 HydrophobicContact CB-CD2 4.19Å; P464-L524 HydrophobicContact CG-CD2 4.4Å |
| 465 | R | 92.3 | Very high | 96.7 | Very high | 40 Ų | 40 | 25 Ų | 25 | 15% | 0.151 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.8 | -47.6 | 176.8 | 79.4 | -176.8 | -98.5 | 176.7 | 1.9 | 112.9 | V422 D426 E463 N469 N522 | V422-R465 HydrophobicContact CG1-CG 3.98Å; D426-R465 HydrophobicContact CB-CG 4.12Å; D426-R465 VanDerWaalsContact CG-NE 3.25Å; D426-R465 IonicContact OD2-CZ 3.55Å; D426-R465 IonicContact OD2-NE 2.94Å; D426-R465 PolarHBondContact OD2-NE 3.31Å; D426-R465 IonicContact OD2-NH2 3.69Å; D426-R465 PolarHBondContact OD2-NH2 3.4Å; E463-R465 VanDerWaalsContact C-N 3.32Å; E463-R465 PolarHBondContact O-N 3.46Å; E463-R465 VanDerWaalsContact O-N 3.17Å; R465-N469 PolarHBondContact O-N 3.31Å; R465-N522 VanDerWaalsContact CA-OD1 3.25Å; R465-N522 WeakPolarHBondContact CA-OD1 3.31Å; R465-N522 WeakPolarHBondContact CB-OD1 3.47Å |
| 466 | V | 96.5 | Very high | 96.7 | Very high | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.018 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69 | -46.6 | 180 | -177 | 0 | 0 | 0 | 0 | 109.9 | V422 R425 D426 A462 E463 P464 S468 N469 V470 | V422-V466 HydrophobicContact CG1-CG2 3.72Å; R425-V466 HydrophobicContact CB-CG1 4.09Å; R425-V466 HydrophobicContact CB-CG2 4.08Å; D426-V466 HydrophobicContact CB-CG2 4.02Å; A462-V466 HydrophobicContact CB-CB 3.94Å; A462-V466 HydrophobicContact CB-CG1 3.93Å; E463-V466 PolarHBondContact O-N 3.45Å; P464-V466 PolarHBondContact O-N 3.46Å; V466-S468 VanDerWaalsContact C-N 3.26Å; V466-S468 PolarHBondContact O-N 2.96Å; V466-N469 PolarHBondContact O-N 3.44Å; V466-V470 HydrophobicContact CG1-CG2 4.3Å; V466-V470 VanDerWaalsContact O-CG2 3.26Å; V466-V470 WeakPolarHBondContact O-CG2 3.26Å; V466-V470 PolarHBondContact O-N 3.41Å |
| 467 | A | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.8 | -31.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E463 P464 V470 C471 L524 | E463-A467 PolarHBondContact O-N 2.7Å; P464-A467 PolarHBondContact O-N 3.36Å; A467-V470 PolarHBondContact O-N 2.66Å; A467-C471 PolarHBondContact O-N 3.26Å; A467-C471 PolarHBondContact O-SG 3.26Å; A467-L524 HydrophobicContact CB-CD1 3.49Å; A467-L524 VanDerWaalsContact CB-CD1 3.49Å; A467-L524 HydrophobicContact CB-CD2 4.35Å |
| 468 | S | 96.8 | Very high | 96.6 | Very high | 24 Ų | 24 | 23 Ų | 23 | 17% | 0.168 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64 | -51 | 175 | -164.7 | 0 | 0 | 0 | 0 | 111.1 | P464 V466 V470 C471 W472 N522 A527 | P464-S468 VanDerWaalsContact O-CB 3.31Å; P464-S468 WeakPolarHBondContact O-CB 3.44Å; P464-S468 PolarHBondContact O-N 2.85Å; V466-S468 VanDerWaalsContact C-N 3.26Å; V466-S468 PolarHBondContact O-N 2.96Å; S468-V470 VanDerWaalsContact C-N 3.29Å; S468-V470 PolarHBondContact O-N 3.15Å; S468-C471 WeakPolarHBondContact O-CB 3.4Å; S468-C471 PolarHBondContact O-N 3.1Å; S468-W472 PolarHBondContact O-N 3.06Å; S468-W472 VanDerWaalsContact O-N 3.09Å; S468-N522 PolarHBondContact OG-O 3.36Å; S468-N522 VanDerWaalsContact OG-O 3.09Å; S468-A527 WeakPolarHBondContact OG-CB 3.31Å |
| 469 | N | 97.1 | Very high | 96.5 | Very high | 40 Ų | 40 | 22.1 Ų | 22.1 | 21% | 0.214 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.5 | -30.9 | 174.8 | -82.7 | -36.4 | 0 | 0 | 0 | 113.3 | D426 A429 R465 V466 W472 A473 | D426-N469 PolarHBondContact OD1-ND2 2.88Å; A429-N469 HydrophobicContact CB-CB 3.81Å; R465-N469 PolarHBondContact O-N 3.31Å; V466-N469 PolarHBondContact O-N 3.44Å; N469-W472 PolarHBondContact O-N 3.04Å; N469-A473 WeakPolarHBondContact O-CB 3.47Å; N469-A473 PolarHBondContact O-N 3.17Å |
| 470 | V | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.3 | -37.5 | 171.6 | 168.9 | 0 | 0 | 0 | 0 | 111.8 | M417 A429 L456 L460 V466 A467 S468 A473 F474 | M417-V470 HydrophobicContact CE-CG2 3.99Å; A429-V470 HydrophobicContact CB-CG2 3.78Å; L456-V470 HydrophobicContact CB-CG1 4.24Å; L456-V470 HydrophobicContact CD2-CG1 4.14Å; L456-V470 HydrophobicContact CD2-CG2 4.44Å; L456-V470 WeakPolarHBondContact O-CG1 3.25Å; L460-V470 HydrophobicContact CD2-CG1 3.82Å; L460-V470 HydrophobicContact CG-CG1 3.93Å; V466-V470 HydrophobicContact CG1-CG2 4.3Å; V466-V470 VanDerWaalsContact O-CG2 3.26Å; V466-V470 WeakPolarHBondContact O-CG2 3.26Å; V466-V470 PolarHBondContact O-N 3.41Å; A467-V470 PolarHBondContact O-N 2.66Å; S468-V470 VanDerWaalsContact C-N 3.29Å; S468-V470 PolarHBondContact O-N 3.15Å; V470-A473 PolarHBondContact O-N 3.37Å; V470-F474 HydrophobicContact CG1-CD2 4Å; V470-F474 HydrophobicContact CG1-CE2 4Å; V470-F474 WeakPolarHBondContact O-CD2 3.4Å; V470-F474 PolarHBondContact O-N 2.92Å |
| 471 | C | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.7 | -47.1 | 174.2 | -67.6 | 0 | 0 | 0 | 0 | 110.4 | L460 A467 S468 A473 F474 S475 A527 A531 | L460-C471 VanDerWaalsContact CD2-SG 3.51Å; A467-C471 PolarHBondContact O-N 3.26Å; A467-C471 PolarHBondContact O-SG 3.26Å; S468-C471 WeakPolarHBondContact O-CB 3.4Å; S468-C471 PolarHBondContact O-N 3.1Å; C471-A473 PolarHBondContact O-N 3.36Å; C471-F474 WeakPolarHBondContact O-CB 3.48Å; C471-F474 PolarHBondContact O-N 2.89Å; C471-F474 VanDerWaalsContact O-N 3.11Å; C471-S475 PolarHBondContact O-N 3.31Å; C471-S475 VanDerWaalsContact O-N 3.08Å; C471-A527 HydrophobicContact CB-CB 3.99Å; C471-A527 WeakPolarHBondContact CB-O 3.42Å; C471-A531 HydrophobicContact CB-CB 3.82Å; C471-A531 VanDerWaalsContact O-CB 3.26Å; C471-A531 WeakPolarHBondContact O-CB 3.26Å |
| 472 | W | 97.3 | Very high | 95.9 | Very high | 77 Ų | 77 | 21.3 Ų | 21.3 | 29% | 0.292 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -61.7 | -41 | 174.9 | 179.1 | 74.4 | 0 | 0 | 0 | 112.7 | W430 G433 R434 E437 S468 N469 F474 S475 S476 | W430-W472 WeakPolarHBondContact O-CZ3 3.44Å; G433-W472 VanDerWaalsContact C-CH2 3.41Å; R434-W472 HydrophobicContact CB-CH2 4.42Å; R434-W472 HydrophobicContact CG-CH2 3.88Å; R434-W472 HydrophobicContact CG-CZ3 4.27Å; R434-W472 VanDerWaalsContact N-CH2 3.33Å; R434-W472 VanDerWaalsContact N-CZ3 3.31Å; E437-W472 WeakPolarHBondContact OE2-CZ2 3.29Å; S468-W472 PolarHBondContact O-N 3.06Å; S468-W472 VanDerWaalsContact O-N 3.09Å; N469-W472 PolarHBondContact O-N 3.04Å; W472-F474 PolarHBondContact O-N 3.47Å; W472-S475 WeakPolarHBondContact CA-OG 3.17Å; W472-S475 PolarHBondContact O-N 2.84Å; W472-S475 PolarHBondContact O-OG 3.49Å; W472-S476 PolarHBondContact O-N 2.87Å; W472-S476 VanDerWaalsContact O-N 3.1Å; W472-S476 PolarHBondContact O-OG 3.02Å |
| 473 | A | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.1 | -31.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | V432 L456 N469 V470 C471 L477 | V432-A473 HydrophobicContact CG1-CB 4.34Å; L456-A473 HydrophobicContact CD2-CB 3.99Å; N469-A473 WeakPolarHBondContact O-CB 3.47Å; N469-A473 PolarHBondContact O-N 3.17Å; V470-A473 PolarHBondContact O-N 3.37Å; C471-A473 PolarHBondContact O-N 3.36Å; A473-L477 VanDerWaalsContact O-CB 3.25Å; A473-L477 WeakPolarHBondContact O-CB 3.13Å; A473-L477 PolarHBondContact O-N 3.38Å |
| 474 | F | 97.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.4 | -40.4 | 173.4 | -93.1 | -60.1 | 0 | 0 | 0 | 113 | L453 L456 I457 L460 V470 C471 W472 L477 A478 I506 | L453-F474 HydrophobicContact CD2-CE1 4.07Å; L456-F474 HydrophobicContact CB-CD2 4.18Å; L456-F474 HydrophobicContact CB-CE1 3.97Å; L456-F474 HydrophobicContact CB-CE2 3.47Å; L456-F474 VanDerWaalsContact CB-CE2 3.47Å; L456-F474 HydrophobicContact CB-CZ 3.34Å; L456-F474 HydrophobicContact CD1-CD1 4.41Å; L456-F474 HydrophobicContact CD1-CE1 4.27Å; L456-F474 HydrophobicContact CD1-CZ 4.45Å; I457-F474 HydrophobicContact CG1-CZ 3.87Å; L460-F474 HydrophobicContact CD1-CD2 4.21Å; L460-F474 HydrophobicContact CD1-CE2 3.66Å; L460-F474 HydrophobicContact CD2-CD2 4.25Å; L460-F474 HydrophobicContact CD2-CE2 4.31Å; L460-F474 HydrophobicContact CG-CD2 4.32Å; L460-F474 HydrophobicContact CG-CE2 3.88Å; V470-F474 HydrophobicContact CG1-CD2 4Å; V470-F474 HydrophobicContact CG1-CE2 4Å; V470-F474 WeakPolarHBondContact O-CD2 3.4Å; V470-F474 PolarHBondContact O-N 2.92Å; C471-F474 WeakPolarHBondContact O-CB 3.48Å; C471-F474 PolarHBondContact O-N 2.89Å; C471-F474 VanDerWaalsContact O-N 3.11Å; W472-F474 PolarHBondContact O-N 3.47Å; F474-L477 PolarHBondContact O-N 3.33Å; F474-A478 WeakPolarHBondContact O-CB 3.27Å; F474-A478 PolarHBondContact O-N 2.94Å; F474-I506 HydrophobicContact CD1-CG2 4.04Å; F474-I506 HydrophobicContact CE1-CD1 4.04Å; F474-I506 HydrophobicContact CE1-CG1 3.98Å; F474-I506 HydrophobicContact CE1-CG2 3.98Å; F474-I506 HydrophobicContact CZ-CG1 4.41Å; F474-I506 HydrophobicContact CZ-CG2 4.41Å |
| 475 | S | 96.3 | Very high | 94.5 | Very high | 15 Ų | 15 | 28.3 Ų | 28.3 | 11% | 0.105 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.7 | -49.7 | 176.4 | 48.9 | 0 | 0 | 0 | 0 | 110.6 | C471 W472 L477 A478 E479 | C471-S475 PolarHBondContact O-N 3.31Å; C471-S475 VanDerWaalsContact O-N 3.08Å; W472-S475 WeakPolarHBondContact CA-OG 3.17Å; W472-S475 PolarHBondContact O-N 2.84Å; W472-S475 PolarHBondContact O-OG 3.49Å; S475-L477 VanDerWaalsContact C-N 3.33Å; S475-L477 PolarHBondContact O-N 2.9Å; S475-A478 WeakPolarHBondContact O-CB 3.28Å; S475-A478 PolarHBondContact O-N 2.92Å; S475-A478 VanDerWaalsContact O-N 3.07Å; S475-E479 PolarHBondContact O-N 2.92Å |
| 476 | S | 96.5 | Very high | 93 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 4% | 0.035 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.7 | -38.8 | 178.5 | -51.1 | 0 | 0 | 0 | 0 | 112.3 | W472 A478 A480 | W472-S476 PolarHBondContact O-N 2.87Å; W472-S476 VanDerWaalsContact O-N 3.1Å; W472-S476 PolarHBondContact O-OG 3.02Å; S476-A478 VanDerWaalsContact C-N 3.32Å; S476-A478 PolarHBondContact O-N 2.97Å; S476-A480 VanDerWaalsContact O-CB 3.31Å; S476-A480 WeakPolarHBondContact O-CB 3.24Å; S476-A480 PolarHBondContact O-N 3.31Å |
| 477 | L | 96.4 | Very high | 91 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.6 | -36.1 | 175.3 | -177.8 | 60.6 | 0 | 0 | 0 | 112.1 | C436 A443 I444 L449 L453 L456 A473 F474 S475 A481 L499 | C436-L477 HydrophobicContact CB-CB 4.21Å; A443-L477 HydrophobicContact CB-CD1 4.31Å; I444-L477 HydrophobicContact CG1-CD1 4.13Å; L449-L477 HydrophobicContact CD1-CD1 4.39Å; L449-L477 HydrophobicContact CD1-CD2 4.47Å; L453-L477 HydrophobicContact CD2-CD2 3.66Å; L456-L477 HydrophobicContact CD1-CD2 4.04Å; A473-L477 VanDerWaalsContact O-CB 3.25Å; A473-L477 WeakPolarHBondContact O-CB 3.13Å; A473-L477 PolarHBondContact O-N 3.38Å; F474-L477 PolarHBondContact O-N 3.33Å; S475-L477 VanDerWaalsContact C-N 3.33Å; S475-L477 PolarHBondContact O-N 2.9Å; L477-A481 WeakPolarHBondContact O-CB 3.47Å; L477-A481 PolarHBondContact O-N 3.33Å; L477-L499 HydrophobicContact CD2-CD2 4.36Å; L477-L499 HydrophobicContact CG-CD2 4.46Å |
| 478 | A | 95.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67 | -47.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F474 S475 S476 A481 Y482 L499 I535 N538 | F474-A478 WeakPolarHBondContact O-CB 3.27Å; F474-A478 PolarHBondContact O-N 2.94Å; S475-A478 WeakPolarHBondContact O-CB 3.28Å; S475-A478 PolarHBondContact O-N 2.92Å; S475-A478 VanDerWaalsContact O-N 3.07Å; S476-A478 VanDerWaalsContact C-N 3.32Å; S476-A478 PolarHBondContact O-N 2.97Å; A478-A481 PolarHBondContact O-N 2.73Å; A478-Y482 WeakPolarHBondContact O-CB 3.41Å; A478-Y482 PolarHBondContact O-N 3.16Å; A478-L499 HydrophobicContact CB-CD1 4.44Å; A478-I535 HydrophobicContact CB-CB 4.33Å; A478-I535 HydrophobicContact CB-CD1 3.45Å; A478-I535 VanDerWaalsContact CB-CD1 3.45Å; A478-I535 HydrophobicContact CB-CG1 4.46Å; A478-N538 HydrophobicContact CB-CB 4.4Å |
| 479 | E | 94.3 | Very high | 86.6 | Confident | 73 Ų | 73 | 47.9 Ų | 47.9 | 34% | 0.341 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56.1 | -55.7 | 174.7 | -72.3 | 173.2 | -147.6 | 0 | 0 | 110.4 | S475 A481 Y482 E483 E534 N538 | S475-E479 PolarHBondContact O-N 2.92Å; E479-A481 VanDerWaalsContact C-N 3.33Å; E479-A481 PolarHBondContact O-N 2.87Å; E479-Y482 WeakPolarHBondContact O-CB 3.21Å; E479-Y482 PolarHBondContact O-N 2.72Å; E479-E483 WeakPolarHBondContact O-CG 3.17Å; E479-E483 PolarHBondContact O-N 3.41Å; E479-E534 HydrophobicContact CG-CG 3.71Å; E479-E534 WeakPolarHBondContact CG-OE1 3.5Å; E479-E534 VanDerWaalsContact OE1-CD 3.25Å; E479-E534 WeakPolarHBondContact OE1-CG 3.35Å; E479-N538 VanDerWaalsContact CG-ND2 3.28Å; E479-N538 WeakPolarHBondContact CG-ND2 3.44Å |
| 480 | A | 93.4 | Very high | 84.6 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 7% | 0.074 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.5 | -39.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | C436 P440 I444 S476 Y482 A484 | C436-A480 WeakPolarHBondContact O-CB 3.43Å; P440-A480 HydrophobicContact CB-CB 3.46Å; P440-A480 VanDerWaalsContact CB-CB 3.46Å; P440-A480 HydrophobicContact CG-CB 4.29Å; I444-A480 HydrophobicContact CD1-CB 4.1Å; S476-A480 VanDerWaalsContact O-CB 3.31Å; S476-A480 WeakPolarHBondContact O-CB 3.24Å; S476-A480 PolarHBondContact O-N 3.31Å; A480-Y482 VanDerWaalsContact C-N 3.27Å; A480-Y482 PolarHBondContact O-N 3.19Å; A480-A484 WeakPolarHBondContact O-CB 3.41Å; A480-A484 PolarHBondContact O-N 3.41Å |
| 481 | A | 93.4 | Very high | 82.7 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.8 | -33.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I444 L477 A478 E479 Y497 C498 L499 | I444-A481 HydrophobicContact CD1-CB 4.47Å; L477-A481 WeakPolarHBondContact O-CB 3.47Å; L477-A481 PolarHBondContact O-N 3.33Å; A478-A481 PolarHBondContact O-N 2.73Å; E479-A481 VanDerWaalsContact C-N 3.33Å; E479-A481 PolarHBondContact O-N 2.87Å; A481-Y497 HydrophobicContact CB-CD2 3.93Å; A481-Y497 HydrophobicContact CB-CE2 4.13Å; A481-C498 VanDerWaalsContact CB-SG 3.54Å; A481-L499 HydrophobicContact CB-CD1 3.75Å; A481-L499 HydrophobicContact CB-CG 3.84Å |
| 482 | Y | 92.1 | Very high | 81.3 | Confident | 50 Ų | 50 | 67.3 Ų | 67.3 | 20% | 0.196 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -74.6 | -47.4 | 177.5 | -174.1 | -94.5 | 0 | 0 | 0 | 111.1 | A478 E479 A480 A484 T485 P494 N538 | A478-Y482 WeakPolarHBondContact O-CB 3.41Å; A478-Y482 PolarHBondContact O-N 3.16Å; E479-Y482 WeakPolarHBondContact O-CB 3.21Å; E479-Y482 PolarHBondContact O-N 2.72Å; A480-Y482 VanDerWaalsContact C-N 3.27Å; A480-Y482 PolarHBondContact O-N 3.19Å; Y482-A484 VanDerWaalsContact C-N 3.32Å; Y482-A484 PolarHBondContact O-N 3.07Å; Y482-T485 PolarHBondContact O-N 3.05Å; Y482-T485 VanDerWaalsContact O-N 3.16Å; Y482-T485 PolarHBondContact O-OG1 2.95Å; Y482-P494 HydrophobicContact CD2-CG 3.83Å; Y482-P494 VanDerWaalsContact CE2-CD 3.44Å; Y482-P494 HydrophobicContact CE2-CG 3.45Å; Y482-P494 VanDerWaalsContact CE2-CG 3.45Å; Y482-P494 WeakPolarHBondContact OH-CD 3.32Å; Y482-N538 HydrophobicContact CD2-CB 4.31Å; Y482-N538 HydrophobicContact CG-CB 4.02Å |
| 483 | E | 88.9 | Confident | 80.5 | Confident | 152 Ų | 152 | 66.5 Ų | 66.5 | 71% | 0.71 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.3 | -34.1 | 177.9 | -68.5 | -175.2 | 173.2 | 0 | 0 | 113.2 | E479 T485 | E479-E483 WeakPolarHBondContact O-CG 3.17Å; E479-E483 PolarHBondContact O-N 3.41Å; E483-T485 PolarHBondContact O-N 3.23Å; E483-T485 VanDerWaalsContact O-N 3.15Å |
| 484 | A | 85.9 | Confident | 80 | Confident | 67 Ų | 67 | 66.9 Ų | 66.9 | 55% | 0.554 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -10.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I444 A480 Y482 | I444-A484 HydrophobicContact CD1-CB 4.19Å; A480-A484 WeakPolarHBondContact O-CB 3.41Å; A480-A484 PolarHBondContact O-N 3.41Å; Y482-A484 VanDerWaalsContact C-N 3.32Å; Y482-A484 PolarHBondContact O-N 3.07Å |
| 485 | T | 81.9 | Confident | 79.5 | Confident | 38 Ų | 38 | 70.4 Ų | 70.4 | 23% | 0.233 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -91.9 | 114.1 | 175.5 | 54.2 | 0 | 0 | 0 | 0 | 111.5 | Y482 E483 A487 P494 | Y482-T485 PolarHBondContact O-N 3.05Å; Y482-T485 VanDerWaalsContact O-N 3.16Å; Y482-T485 PolarHBondContact O-OG1 2.95Å; E483-T485 PolarHBondContact O-N 3.23Å; E483-T485 VanDerWaalsContact O-N 3.15Å; T485-A487 PolarHBondContact O-N 3.12Å; T485-P494 WeakPolarHBondContact OG1-CB 3.33Å |
| 486 | D | 60.4 | Low | 79.3 | Confident | 165 Ų | 165 | 73.2 Ų | 73.2 | 88% | 0.882 | 40% | 0.4 | S | S | * | . | trans | -60.9 | 105.1 | 169.2 | -72.4 | -34.2 | 0 | 0 | 0 | 109.4 | A488 | D486-A488 PolarHBondContact O-N 2.91Š| ||
| 487 | A | 55.3 | Low | 79.2 | Confident | 50 Ų | 50 | 73.7 Ų | 73.7 | 41% | 0.413 | 40% | 0.401 | S | S | . | . | trans | -63.4 | 125 | 162.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | T485 E489 Q491 | T485-A487 PolarHBondContact O-N 3.12Å; A487-E489 PolarHBondContact O-N 3.15Å; A487-Q491 WeakPolarHBondContact CB-O 3.45Å | ||
| 488 | A | 53.4 | Low | 79 | Confident | 59 Ų | 59 | 75.8 Ų | 75.8 | 49% | 0.488 | 42% | 0.415 | S | S | . | . | trans | -53.6 | 144.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | D486 D490 Q491 | D486-A488 PolarHBondContact O-N 2.91Å; A488-D490 PolarHBondContact O-N 3.35Å; A488-Q491 PolarHBondContact O-N 3.02Å | ||
| 489 | E | 49.8 | Very low | 79 | Confident | 203 Ų | 203 | 75.8 Ų | 75.8 | 95% | 0.949 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | -14.8 | -173.9 | -67.2 | -178.8 | 163.4 | 0 | 0 | 115.2 | A487 | A487-E489 PolarHBondContact O-N 3.15Š|
| 490 | D | 54.4 | Low | 79 | Confident | 162 Ų | 162 | 73.4 Ų | 73.4 | 87% | 0.866 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | 8.5 | 179.9 | -60.9 | -43.7 | 0 | 0 | 0 | 115.2 | A488 | A488-D490 PolarHBondContact O-N 3.35Š|
| 491 | Q | 58.2 | Low | 79 | Confident | 92 Ų | 92 | 78.5 Ų | 78.5 | 43% | 0.43 | 44% | 0.442 | S | S | . | . | trans | -125.9 | 129.6 | -177.9 | -62.5 | -168.4 | 26.8 | 0 | 0 | 113.3 | A487 A488 E493 K541 | A487-Q491 WeakPolarHBondContact CB-O 3.45Å; A488-Q491 PolarHBondContact O-N 3.02Å; Q491-E493 VanDerWaalsContact C-N 3.31Å; Q491-E493 PolarHBondContact O-N 3.28Å; Q491-K541 VanDerWaalsContact OE1-NZ 3.1Å | ||
| 492 | E | 69.7 | Low | 79.1 | Confident | 194 Ų | 194 | 79.1 Ų | 79.1 | 91% | 0.907 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -70.7 | -21.3 | 177.2 | -65.9 | 176.2 | 168.8 | 0 | 0 | 113.8 | ||
| 493 | E | 79.9 | Confident | 79.2 | Confident | 61 Ų | 61 | 76.9 Ų | 76.9 | 29% | 0.285 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -144.5 | 146.8 | -177.3 | -63.5 | -174.7 | 161.8 | 0 | 0 | 112.1 | Q491 K541 K594 | Q491-E493 VanDerWaalsContact C-N 3.31Å; Q491-E493 PolarHBondContact O-N 3.28Å; E493-K541 HydrophobicContact CB-CG 4.3Å; E493-K541 WeakPolarHBondContact O-CE 3.42Å; E493-K541 PolarHBondContact O-NZ 2.77Å; E493-K541 VanDerWaalsContact O-NZ 3.08Å; E493-K594 IonicContact OE1-NZ 3.91Å; E493-K594 PolarHBondContact OE1-NZ 2.81Å; E493-K594 IonicContact OE2-NZ 3.67Å; E493-K594 PolarHBondContact OE2-NZ 2.87Å |
| 494 | P | 86.4 | Confident | 79.6 | Confident | 8 Ų | 8 | 74.6 Ų | 74.6 | 5% | 0.052 | 43% | 0.427 | C | S | . | . | trans | -68.5 | 145.6 | 179 | 29 | -34.7 | 0 | 0 | 0 | 112.4 | Y482 T485 A540 K541 | Y482-P494 HydrophobicContact CD2-CG 3.83Å; Y482-P494 VanDerWaalsContact CE2-CD 3.44Å; Y482-P494 HydrophobicContact CE2-CG 3.45Å; Y482-P494 VanDerWaalsContact CE2-CG 3.45Å; Y482-P494 WeakPolarHBondContact OH-CD 3.32Å; T485-P494 WeakPolarHBondContact OG1-CB 3.33Å; P494-A540 HydrophobicContact CG-CB 4.34Å; P494-K541 WeakPolarHBondContact O-CG 3.21Å; P494-K541 PolarHBondContact O-N 3.02Å | ||
| 495 | S | 88.1 | Confident | 80.1 | Confident | 74 Ų | 74 | 75.7 Ų | 75.7 | 52% | 0.517 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -74.3 | -37.1 | -178.7 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | D542 | S495-D542 WeakPolarHBondContact O-CB 3.45Å; S495-D542 PolarHBondContact O-N 3.33Å |
| 496 | T | 91.9 | Very high | 80.8 | Confident | 74 Ų | 74 | 73.9 Ų | 73.9 | 45% | 0.454 | 41% | 0.411 | S | S | . | . | trans | -157.1 | 160.4 | 178.1 | -167.6 | 0 | 0 | 0 | 0 | 108.3 | S500 D542 | T496-S500 PolarHBondContact OG1-OG 3.25Å; T496-D542 VanDerWaalsContact CB-OD2 3.26Å; T496-D542 WeakPolarHBondContact CB-OD2 3.46Å; T496-D542 PolarHBondContact OG1-OD2 3.16Å | ||
| 497 | Y | 93.9 | Very high | 82.5 | Confident | 15 Ų | 15 | 66.3 Ų | 66.3 | 6% | 0.059 | 37% | 0.371 | C | S | . | . | trans | -149.2 | 179.4 | 177 | 74.3 | -21 | 0 | 0 | 0 | 111.6 | A481 L499 S500 F503 N538 A540 | A481-Y497 HydrophobicContact CB-CD2 3.93Å; A481-Y497 HydrophobicContact CB-CE2 4.13Å; Y497-L499 HydrophobicContact CD1-CB 4.17Å; Y497-L499 HydrophobicContact CE1-CB 3.62Å; Y497-L499 HydrophobicContact CE2-CB 4.1Å; Y497-L499 HydrophobicContact CE2-CD1 4.16Å; Y497-L499 HydrophobicContact CE2-CG 4.31Å; Y497-L499 PolarHBondContact O-N 2.99Å; Y497-L499 VanDerWaalsContact O-N 3.15Å; Y497-S500 VanDerWaalsContact CD1-N 3.33Å; Y497-S500 WeakPolarHBondContact CD1-OG 3.19Å; Y497-S500 VanDerWaalsContact CE1-N 3.29Å; Y497-S500 PolarHBondContact N-OG 2.82Å; Y497-S500 PolarHBondContact O-N 3.31Å; Y497-S500 PolarHBondContact O-OG 3.06Å; Y497-F503 WeakPolarHBondContact OH-CD2 3.49Å; Y497-N538 WeakPolarHBondContact CE2-O 3.3Å; Y497-N538 PolarHBondContact OH-O 3.49Å; Y497-A540 HydrophobicContact CD1-CB 3.94Å; Y497-A540 HydrophobicContact CE1-CB 4.34Å; Y497-A540 HydrophobicContact CG-CB 4.22Å | ||
| 498 | C | 92.5 | Very high | 84.4 | Confident | 44 Ų | 44 | 68.7 Ų | 68.7 | 30% | 0.297 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -21.7 | -172.4 | 66.8 | 0 | 0 | 0 | 0 | 114.1 | I444 L449 A481 | I444-C498 HydrophobicContact CG2-CB 4.43Å; L449-C498 HydrophobicContact CD2-CB 3.69Å; A481-C498 VanDerWaalsContact CB-SG 3.54Å |
| 499 | L | 95.6 | Very high | 86.5 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -10.9 | 178.6 | -53.6 | -179.9 | 0 | 0 | 0 | 114.2 | L449 L453 L477 A478 A481 Y497 S501 S502 F503 I535 | L449-L499 HydrophobicContact CD1-CD2 4.39Å; L453-L499 HydrophobicContact CD1-CD2 3.99Å; L453-L499 HydrophobicContact CD2-CD2 3.8Å; L453-L499 HydrophobicContact CG-CD2 4.44Å; L477-L499 HydrophobicContact CD2-CD2 4.36Å; L477-L499 HydrophobicContact CG-CD2 4.46Å; A478-L499 HydrophobicContact CB-CD1 4.44Å; A481-L499 HydrophobicContact CB-CD1 3.75Å; A481-L499 HydrophobicContact CB-CG 3.84Å; Y497-L499 HydrophobicContact CD1-CB 4.17Å; Y497-L499 HydrophobicContact CE1-CB 3.62Å; Y497-L499 HydrophobicContact CE2-CB 4.1Å; Y497-L499 HydrophobicContact CE2-CD1 4.16Å; Y497-L499 HydrophobicContact CE2-CG 4.31Å; Y497-L499 PolarHBondContact O-N 2.99Å; Y497-L499 VanDerWaalsContact O-N 3.15Å; L499-S501 PolarHBondContact O-N 3.25Å; L499-S501 VanDerWaalsContact O-N 3.1Å; L499-S502 CarbonylContact O-C 3.6Å; L499-S502 PolarHBondContact O-N 3.17Å; L499-S502 PolarHBondContact O-OG 3.06Å; L499-S502 VanDerWaalsContact O-OG 3.12Å; L499-F503 PolarHBondContact O-N 2.92Å; L499-I535 HydrophobicContact CD1-CD1 4.01Å |
| 500 | S | 94.8 | Very high | 88.8 | Confident | 23 Ų | 23 | 59.7 Ų | 59.7 | 16% | 0.161 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -38.8 | -175.2 | -69.1 | 0 | 0 | 0 | 0 | 112.5 | T496 Y497 S502 F503 D542 | T496-S500 PolarHBondContact OG1-OG 3.25Å; Y497-S500 VanDerWaalsContact CD1-N 3.33Å; Y497-S500 WeakPolarHBondContact CD1-OG 3.19Å; Y497-S500 VanDerWaalsContact CE1-N 3.29Å; Y497-S500 PolarHBondContact N-OG 2.82Å; Y497-S500 PolarHBondContact O-N 3.31Å; Y497-S500 PolarHBondContact O-OG 3.06Å; S500-S502 PolarHBondContact O-N 3.12Å; S500-F503 PolarHBondContact O-N 3.22Å; S500-D542 VanDerWaalsContact CB-OD2 3.24Å; S500-D542 WeakPolarHBondContact CB-OD2 3.27Å; S500-D542 VanDerWaalsContact OG-CG 3.25Å; S500-D542 PolarHBondContact OG-OD1 3.09Å; S500-D542 PolarHBondContact OG-OD2 3.35Å |
| 501 | S | 92.8 | Very high | 90.8 | Very high | 116 Ų | 116 | 52.9 Ų | 52.9 | 81% | 0.811 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -23.9 | -178.9 | 67.5 | 0 | 0 | 0 | 0 | 114.4 | L499 | L499-S501 PolarHBondContact O-N 3.25Å; L499-S501 VanDerWaalsContact O-N 3.1Å |
| 502 | S | 94.4 | Very high | 92.6 | Very high | 13 Ų | 13 | 52.4 Ų | 52.4 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | -3 | -176.5 | 48.9 | 0 | 0 | 0 | 0 | 113.3 | L499 S500 E504 I505 I506 | L499-S502 CarbonylContact O-C 3.6Å; L499-S502 PolarHBondContact O-N 3.17Å; L499-S502 PolarHBondContact O-OG 3.06Å; L499-S502 VanDerWaalsContact O-OG 3.12Å; S500-S502 PolarHBondContact O-N 3.12Å; S502-E504 PolarHBondContact O-N 2.85Å; S502-I505 WeakPolarHBondContact O-CB 3.47Å; S502-I505 PolarHBondContact O-N 3.47Å; S502-I506 WeakPolarHBondContact O-CG1 3.41Å; S502-I506 PolarHBondContact O-N 2.78Å |
| 503 | F | 96 | Very high | 93.9 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 1% | 0.013 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54 | -49.5 | -173 | -175.3 | -90.2 | 0 | 0 | 0 | 112.9 | Y497 L499 S500 I505 I506 V507 I535 S539 C543 A546 V547 | Y497-F503 WeakPolarHBondContact OH-CD2 3.49Å; L499-F503 PolarHBondContact O-N 2.92Å; S500-F503 PolarHBondContact O-N 3.22Å; F503-I505 VanDerWaalsContact C-N 3.27Å; F503-I505 PolarHBondContact O-N 3.24Å; F503-I506 PolarHBondContact O-N 3.44Å; F503-V507 HydrophobicContact CD1-CG2 4.07Å; F503-V507 HydrophobicContact CE1-CG2 3.7Å; F503-V507 HydrophobicContact CE2-CG2 4.39Å; F503-V507 HydrophobicContact CZ-CG2 3.88Å; F503-V507 WeakPolarHBondContact O-CB 3.38Å; F503-V507 WeakPolarHBondContact O-CG2 3.49Å; F503-V507 PolarHBondContact O-N 3.17Å; F503-I535 HydrophobicContact CD2-CD1 4.38Å; F503-I535 HydrophobicContact CD2-CG1 4.13Å; F503-I535 HydrophobicContact CE2-CD1 4.35Å; F503-I535 HydrophobicContact CE2-CG1 3.8Å; F503-I535 WeakPolarHBondContact CE2-O 3.37Å; F503-S539 VanDerWaalsContact CE2-CB 3.46Å; F503-C543 HydrophobicContact CD1-CB 3.81Å; F503-C543 HydrophobicContact CD2-CB 4.11Å; F503-C543 HydrophobicContact CE1-CB 3.9Å; F503-C543 HydrophobicContact CE2-CB 4.18Å; F503-C543 HydrophobicContact CG-CB 3.92Å; F503-C543 HydrophobicContact CZ-CB 4.08Å; F503-A546 HydrophobicContact CD1-CB 3.57Å; F503-A546 HydrophobicContact CE1-CB 3.66Å; F503-V547 HydrophobicContact CE1-CG2 4.07Å; F503-V547 HydrophobicContact CZ-CG2 3.96Å |
| 504 | E | 95.6 | Very high | 94.7 | Very high | 105 Ų | 105 | 40.8 Ų | 40.8 | 49% | 0.491 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.6 | -36.3 | -180 | -173.1 | 173.5 | -170.8 | 0 | 0 | 112 | S502 Q508 A546 K549 | S502-E504 PolarHBondContact O-N 2.85Å; E504-Q508 VanDerWaalsContact O-CB 3.29Å; E504-Q508 WeakPolarHBondContact O-CB 3.49Å; E504-Q508 PolarHBondContact O-N 3.28Å; E504-A546 HydrophobicContact CB-CB 4.39Å; E504-K549 IonicContact OE1-NZ 2.95Å; E504-K549 PolarHBondContact OE1-NZ 2.99Å |
| 505 | I | 96.4 | Very high | 95 | Very high | 90 Ų | 90 | 45.4 Ų | 45.4 | 46% | 0.462 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.8 | -44.1 | 178.9 | -60.2 | 173.9 | 0 | 0 | 0 | 110.4 | I457 S502 F503 Q508 K509 | I457-I505 HydrophobicContact CD1-CG2 4.12Å; S502-I505 WeakPolarHBondContact O-CB 3.47Å; S502-I505 PolarHBondContact O-N 3.47Å; F503-I505 VanDerWaalsContact C-N 3.27Å; F503-I505 PolarHBondContact O-N 3.24Å; I505-Q508 PolarHBondContact O-N 3.3Å; I505-K509 HydrophobicContact CG2-CG 4.43Å; I505-K509 WeakPolarHBondContact O-CB 3.36Å; I505-K509 VanDerWaalsContact O-CG 3.31Å; I505-K509 WeakPolarHBondContact O-CG 3.38Å; I505-K509 PolarHBondContact O-N 3.08Å |
| 506 | I | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -51.6 | 179.2 | -64.7 | 164.8 | 0 | 0 | 0 | 109.6 | L453 I457 F474 S502 F503 Q508 K509 L510 I535 | L453-I506 HydrophobicContact CD2-CD1 4.28Å; I457-I506 HydrophobicContact CD1-CG1 4.39Å; I457-I506 HydrophobicContact CG1-CG1 4.48Å; F474-I506 HydrophobicContact CD1-CG2 4.04Å; F474-I506 HydrophobicContact CE1-CD1 4.04Å; F474-I506 HydrophobicContact CE1-CG1 3.98Å; F474-I506 HydrophobicContact CE1-CG2 3.98Å; F474-I506 HydrophobicContact CZ-CG1 4.41Å; F474-I506 HydrophobicContact CZ-CG2 4.41Å; S502-I506 WeakPolarHBondContact O-CG1 3.41Å; S502-I506 PolarHBondContact O-N 2.78Å; F503-I506 PolarHBondContact O-N 3.44Å; I506-Q508 PolarHBondContact O-N 2.84Å; I506-K509 PolarHBondContact O-N 3.26Å; I506-K509 VanDerWaalsContact O-N 3.11Å; I506-L510 HydrophobicContact CG2-CD1 3.92Å; I506-L510 HydrophobicContact CG2-CG 4.42Å; I506-L510 WeakPolarHBondContact O-CG 3.39Å; I506-L510 PolarHBondContact O-N 2.93Å; I506-I535 HydrophobicContact CG2-CG1 4.33Å |
| 507 | V | 96.5 | Very high | 95.2 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.7 | -45 | 179.2 | 166.7 | 0 | 0 | 0 | 0 | 111.7 | F503 K509 L510 L511 L532 I535 T550 | F503-V507 HydrophobicContact CD1-CG2 4.07Å; F503-V507 HydrophobicContact CE1-CG2 3.7Å; F503-V507 HydrophobicContact CE2-CG2 4.39Å; F503-V507 HydrophobicContact CZ-CG2 3.88Å; F503-V507 WeakPolarHBondContact O-CB 3.38Å; F503-V507 WeakPolarHBondContact O-CG2 3.49Å; F503-V507 PolarHBondContact O-N 3.17Å; V507-K509 VanDerWaalsContact C-N 3.3Å; V507-K509 PolarHBondContact O-N 3.03Å; V507-L510 PolarHBondContact O-N 3.06Å; V507-L511 HydrophobicContact CG1-CD1 4.16Å; V507-L511 WeakPolarHBondContact O-CB 3.48Å; V507-L511 WeakPolarHBondContact O-CG 3.24Å; V507-L511 PolarHBondContact O-N 2.71Å; V507-L532 HydrophobicContact CB-CD1 4.44Å; V507-L532 HydrophobicContact CG1-CD1 3.97Å; V507-L532 HydrophobicContact CG2-CD1 4.35Å; V507-I535 HydrophobicContact CG2-CG2 4.14Å; V507-T550 HydrophobicContact CG1-CG2 4.12Å; V507-T550 WeakPolarHBondContact CG1-OG1 3.23Å |
| 508 | Q | 95.9 | Very high | 95.1 | Very high | 100 Ų | 100 | 47.8 Ų | 47.8 | 47% | 0.467 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 175.8 | -178.2 | -177.5 | -13.3 | 0 | 0 | 111.2 | E504 I505 I506 L511 E512 | E504-Q508 VanDerWaalsContact O-CB 3.29Å; E504-Q508 WeakPolarHBondContact O-CB 3.49Å; E504-Q508 PolarHBondContact O-N 3.28Å; I505-Q508 PolarHBondContact O-N 3.3Å; I506-Q508 PolarHBondContact O-N 2.84Å; Q508-L511 PolarHBondContact O-N 3.37Å; Q508-E512 PolarHBondContact NE2-OE1 3.47Å; Q508-E512 WeakPolarHBondContact O-CG 3.41Å; Q508-E512 PolarHBondContact O-N 3.04Å |
| 509 | K | 97.5 | Very high | 94.9 | Very high | 74 Ų | 74 | 45.8 Ų | 45.8 | 32% | 0.322 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.5 | -39.9 | -179.7 | -77.9 | -77.7 | 168.1 | -157.1 | 0 | 112.6 | I457 L460 I505 I506 V507 E512 T513 | I457-K509 HydrophobicContact CG2-CD 4.44Å; I457-K509 HydrophobicContact CG2-CG 4.12Å; L460-K509 HydrophobicContact CD1-CB 3.74Å; I505-K509 HydrophobicContact CG2-CG 4.43Å; I505-K509 WeakPolarHBondContact O-CB 3.36Å; I505-K509 VanDerWaalsContact O-CG 3.31Å; I505-K509 WeakPolarHBondContact O-CG 3.38Å; I505-K509 PolarHBondContact O-N 3.08Å; I506-K509 PolarHBondContact O-N 3.26Å; I506-K509 VanDerWaalsContact O-N 3.11Å; V507-K509 VanDerWaalsContact C-N 3.3Å; V507-K509 PolarHBondContact O-N 3.03Å; K509-E512 WeakPolarHBondContact CE-OE2 3.44Å; K509-E512 IonicContact NZ-OE2 3.91Å; K509-E512 PolarHBondContact NZ-OE2 3.47Å; K509-E512 WeakPolarHBondContact O-CB 3.42Å; K509-E512 PolarHBondContact O-N 3.22Å; K509-T513 PolarHBondContact O-N 2.92Å; K509-T513 PolarHBondContact O-OG1 3.37Å |
| 510 | L | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 172.6 | -70.4 | 170.7 | 0 | 0 | 0 | 111.3 | L460 I506 V507 E512 T513 T514 A531 L532 I535 | L460-L510 HydrophobicContact CD1-CD2 4.05Å; L460-L510 HydrophobicContact CD1-CG 4.34Å; L460-L510 HydrophobicContact CD2-CD2 3.83Å; I506-L510 HydrophobicContact CG2-CD1 3.92Å; I506-L510 HydrophobicContact CG2-CG 4.42Å; I506-L510 WeakPolarHBondContact O-CG 3.39Å; I506-L510 PolarHBondContact O-N 2.93Å; V507-L510 PolarHBondContact O-N 3.06Å; L510-E512 VanDerWaalsContact C-N 3.31Å; L510-E512 PolarHBondContact O-N 2.71Å; L510-T513 WeakPolarHBondContact O-CB 3.46Å; L510-T513 PolarHBondContact O-N 3.03Å; L510-T513 VanDerWaalsContact O-N 3.09Å; L510-T514 WeakPolarHBondContact O-CG2 3.19Å; L510-T514 PolarHBondContact O-N 3.48Å; L510-T514 PolarHBondContact O-OG1 3.32Å; L510-A531 HydrophobicContact CD1-CB 4.22Å; L510-A531 HydrophobicContact CD2-CB 3.87Å; L510-L532 HydrophobicContact CB-CB 4.4Å; L510-L532 HydrophobicContact CB-CD1 4.39Å; L510-L532 HydrophobicContact CD1-CB 4.41Å; L510-I535 HydrophobicContact CD1-CG2 4.01Å |
| 511 | L | 96.3 | Very high | 94.1 | Very high | 19 Ų | 19 | 54 Ų | 54 | 10% | 0.099 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.5 | -38.9 | 173.7 | -73.6 | 169.5 | 0 | 0 | 0 | 112.3 | V507 Q508 T514 L532 V553 I554 R557 | V507-L511 HydrophobicContact CG1-CD1 4.16Å; V507-L511 WeakPolarHBondContact O-CB 3.48Å; V507-L511 WeakPolarHBondContact O-CG 3.24Å; V507-L511 PolarHBondContact O-N 2.71Å; Q508-L511 PolarHBondContact O-N 3.37Å; L511-T514 WeakPolarHBondContact CA-OG1 3.36Å; L511-T514 PolarHBondContact O-OG1 3.32Å; L511-L532 HydrophobicContact CD2-CD2 3.62Å; L511-L532 HydrophobicContact CG-CD2 4.17Å; L511-V553 HydrophobicContact CD1-CG1 4.22Å; L511-V553 HydrophobicContact CD2-CG1 4.09Å; L511-I554 HydrophobicContact CD2-CD1 4.24Å; L511-R557 PolarHBondContact O-NH2 3.08Å |
| 512 | E | 96.7 | Very high | 93.8 | Very high | 82 Ų | 82 | 50.9 Ų | 50.9 | 38% | 0.383 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 172.2 | -71.6 | 170.8 | -163.7 | 0 | 0 | 111.5 | Q508 K509 L510 D515 | Q508-E512 PolarHBondContact NE2-OE1 3.47Å; Q508-E512 WeakPolarHBondContact O-CG 3.41Å; Q508-E512 PolarHBondContact O-N 3.04Å; K509-E512 WeakPolarHBondContact CE-OE2 3.44Å; K509-E512 IonicContact NZ-OE2 3.91Å; K509-E512 PolarHBondContact NZ-OE2 3.47Å; K509-E512 WeakPolarHBondContact O-CB 3.42Å; K509-E512 PolarHBondContact O-N 3.22Å; L510-E512 VanDerWaalsContact C-N 3.31Å; L510-E512 PolarHBondContact O-N 2.71Å; E512-D515 PolarHBondContact O-N 2.86Å |
| 513 | T | 97.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63 | -41 | 177.4 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | K509 L510 D515 R516 L524 A528 | K509-T513 PolarHBondContact O-N 2.92Å; K509-T513 PolarHBondContact O-OG1 3.37Å; L510-T513 WeakPolarHBondContact O-CB 3.46Å; L510-T513 PolarHBondContact O-N 3.03Å; L510-T513 VanDerWaalsContact O-N 3.09Å; T513-D515 PolarHBondContact O-N 3.09Å; T513-R516 VanDerWaalsContact O-CB 3.24Å; T513-R516 WeakPolarHBondContact O-CB 3.14Å; T513-R516 VanDerWaalsContact O-CG 3.32Å; T513-R516 WeakPolarHBondContact O-CG 3.42Å; T513-R516 PolarHBondContact O-N 3.48Å; T513-R516 VanDerWaalsContact O-N 3.14Å; T513-L524 HydrophobicContact CG2-CD1 3.81Å; T513-L524 HydrophobicContact CG2-CD2 4.28Å; T513-L524 HydrophobicContact CG2-CG 4.1Å; T513-A528 HydrophobicContact CG2-CB 3.76Å |
| 514 | T | 95.4 | Very high | 93.4 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.5 | -22.4 | 178.1 | 56.7 | 0 | 0 | 0 | 0 | 113.9 | L510 L511 A528 Y529 R557 | L510-T514 WeakPolarHBondContact O-CG2 3.19Å; L510-T514 PolarHBondContact O-N 3.48Å; L510-T514 PolarHBondContact O-OG1 3.32Å; L511-T514 WeakPolarHBondContact CA-OG1 3.36Å; L511-T514 PolarHBondContact O-OG1 3.32Å; T514-A528 HydrophobicContact CG2-CB 3.6Å; T514-Y529 HydrophobicContact CG2-CD1 3.99Å; T514-Y529 HydrophobicContact CG2-CD2 3.64Å; T514-Y529 HydrophobicContact CG2-CE1 4.06Å; T514-Y529 HydrophobicContact CG2-CE2 3.73Å; T514-Y529 HydrophobicContact CG2-CG 3.77Å; T514-R557 PolarHBondContact OG1-NH1 3.41Å |
| 515 | D | 93.3 | Very high | 93.4 | Very high | 105 Ų | 105 | 52.6 Ų | 52.6 | 56% | 0.561 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 4.4 | 179.4 | -71.1 | -22 | 0 | 0 | 0 | 112.9 | E512 T513 R557 | E512-D515 PolarHBondContact O-N 2.86Å; T513-D515 PolarHBondContact O-N 3.09Å; D515-R557 IonicContact OD1-CZ 3.5Å; D515-R557 IonicContact OD1-NE 3.67Å; D515-R557 IonicContact OD1-NH1 2.78Å; D515-R557 IonicContact OD1-NH2 3.29Å; D515-R557 PolarHBondContact OD1-NH2 2.87Å; D515-R557 IonicContact OD2-CZ 2.81Å; D515-R557 IonicContact OD2-NE 2.82Å; D515-R557 IonicContact OD2-NH2 3.25Å; D515-R557 PolarHBondContact OD2-NH2 3.45Å |
| 516 | R | 94.6 | Very high | 93.3 | Very high | 45 Ų | 45 | 50 Ų | 50 | 17% | 0.17 | 26% | 0.256 | C | S | . | . | trans | -63.4 | 137.7 | -179 | -80.3 | 176.8 | 62.3 | 163.1 | -0 | 111.9 | L460 A462 T513 D518 G519 L524 | L460-R516 PolarHBondContact O-NH1 3.32Å; A462-R516 VanDerWaalsContact O-CZ 3.26Å; A462-R516 PolarHBondContact O-NH1 3Å; A462-R516 PolarHBondContact O-NH2 3.45Å; T513-R516 VanDerWaalsContact O-CB 3.24Å; T513-R516 WeakPolarHBondContact O-CB 3.14Å; T513-R516 VanDerWaalsContact O-CG 3.32Å; T513-R516 WeakPolarHBondContact O-CG 3.42Å; T513-R516 PolarHBondContact O-N 3.48Å; T513-R516 VanDerWaalsContact O-N 3.14Å; R516-D518 WeakPolarHBondContact CB-OD1 3.4Å; R516-D518 IonicContact CZ-OD1 2.94Å; R516-D518 IonicContact CZ-OD2 2.56Å; R516-D518 IonicContact NE-OD1 2.8Å; R516-D518 PolarHBondContact NE-OD1 2.95Å; R516-D518 IonicContact NE-OD2 3.91Å; R516-D518 IonicContact NH2-OD1 3.32Å; R516-D518 PolarHBondContact NH2-OD1 3.43Å; R516-D518 IonicContact NH2-OD2 2.87Å; R516-D518 PolarHBondContact NH2-OD2 3.13Å; R516-D518 PolarHBondContact O-N 2.91Å; R516-G519 PolarHBondContact O-N 3.4Å; R516-G519 VanDerWaalsContact O-N 3.08Å; R516-L524 VanDerWaalsContact CZ-CD2 3.45Å | ||
| 517 | P | 90.2 | Very high | 93.2 | Very high | 126 Ų | 126 | 50.6 Ų | 50.6 | 82% | 0.818 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -24.7 | -179.3 | 28.8 | -35.4 | 0 | 0 | 0 | 113.2 | ||
| 518 | D | 91.6 | Very high | 93.3 | Very high | 42 Ų | 42 | 50.4 Ų | 50.4 | 23% | 0.225 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 10.1 | 175.6 | 59.7 | -18.5 | 0 | 0 | 0 | 112.9 | P464 R516 H520 Q521 | P464-D518 HydrophobicContact CG-CB 4.18Å; P464-D518 WeakPolarHBondContact CG-OD2 3.38Å; R516-D518 WeakPolarHBondContact CB-OD1 3.4Å; R516-D518 IonicContact CZ-OD1 2.94Å; R516-D518 IonicContact CZ-OD2 2.56Å; R516-D518 IonicContact NE-OD1 2.8Å; R516-D518 PolarHBondContact NE-OD1 2.95Å; R516-D518 IonicContact NE-OD2 3.91Å; R516-D518 IonicContact NH2-OD1 3.32Å; R516-D518 PolarHBondContact NH2-OD1 3.43Å; R516-D518 IonicContact NH2-OD2 2.87Å; R516-D518 PolarHBondContact NH2-OD2 3.13Å; R516-D518 PolarHBondContact O-N 2.91Å; D518-H520 PolarHBondContact O-N 3.08Å; D518-Q521 PolarHBondContact O-N 3.38Å |
| 519 | G | 88.3 | Confident | 93.3 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -11.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | R516 Q521 L524 R525 | R516-G519 PolarHBondContact O-N 3.4Å; R516-G519 VanDerWaalsContact O-N 3.08Å; G519-Q521 VanDerWaalsContact C-N 3.34Å; G519-L524 PolarHBondContact O-N 3.26Å; G519-R525 VanDerWaalsContact O-CB 3.24Å; G519-R525 WeakPolarHBondContact O-CB 3.44Å; G519-R525 PolarHBondContact O-N 3.44Å |
| 520 | H | 85.1 | Confident | 93.2 | Very high | 110 Ų | 110 | 47.5 Ų | 47.5 | 51% | 0.509 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -11.3 | 175 | 71.4 | 74.7 | 0 | 0 | 0 | 113.4 | D518 | D518-H520 PolarHBondContact O-N 3.08Š|
| 521 | Q | 88.3 | Confident | 93.2 | Very high | 88 Ų | 88 | 47.6 Ų | 47.6 | 41% | 0.411 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -86 | 140.9 | 178 | -60 | 179.4 | 5.8 | 0 | 0 | 109.6 | P464 D518 G519 N523 L524 | P464-Q521 HydrophobicContact CB-CB 3.83Å; P464-Q521 HydrophobicContact CG-CB 3.98Å; D518-Q521 PolarHBondContact O-N 3.38Å; G519-Q521 VanDerWaalsContact C-N 3.34Å; Q521-N523 PolarHBondContact O-N 3.24Å; Q521-L524 WeakPolarHBondContact O-CB 3.49Å; Q521-L524 PolarHBondContact O-N 3.27Å |
| 522 | N | 85.2 | Confident | 93.3 | Very high | 50 Ų | 50 | 46.7 Ų | 46.7 | 27% | 0.267 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | 52.4 | 30.2 | 176.1 | -68.1 | -126.8 | 0 | 0 | 0 | 113 | D339 P464 R465 S468 L524 | D339-N522 PolarHBondContact OD1-OD1 3.42Å; D339-N522 PolarHBondContact OD2-ND2 3.27Å; D339-N522 PolarHBondContact OD2-OD1 3.05Å; P464-N522 HydrophobicContact CB-CB 4.26Å; R465-N522 VanDerWaalsContact CA-OD1 3.25Å; R465-N522 WeakPolarHBondContact CA-OD1 3.31Å; R465-N522 WeakPolarHBondContact CB-OD1 3.47Å; S468-N522 PolarHBondContact OG-O 3.36Å; S468-N522 VanDerWaalsContact OG-O 3.09Å; N522-L524 PolarHBondContact O-N 2.89Å |
| 523 | N | 89.2 | Confident | 93.2 | Very high | 118 Ų | 118 | 43.8 Ų | 43.8 | 63% | 0.631 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | 51.8 | 25.9 | -175.8 | -59.7 | -21.2 | 0 | 0 | 0 | 115.2 | Q521 R525 S526 A527 | Q521-N523 PolarHBondContact O-N 3.24Å; N523-R525 VanDerWaalsContact C-N 3.3Å; N523-R525 PolarHBondContact O-N 3.09Å; N523-S526 WeakPolarHBondContact O-CB 3.44Å; N523-S526 PolarHBondContact O-N 3.08Å; N523-A527 PolarHBondContact O-N 3.31Å |
| 524 | L | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54 | -43 | -172.8 | 174.1 | 63.7 | 0 | 0 | 0 | 113.3 | P464 A467 T513 R516 G519 Q521 N522 S526 A527 A528 | P464-L524 HydrophobicContact CB-CB 4.28Å; P464-L524 HydrophobicContact CB-CD2 4.19Å; P464-L524 HydrophobicContact CG-CD2 4.4Å; A467-L524 HydrophobicContact CB-CD1 3.49Å; A467-L524 VanDerWaalsContact CB-CD1 3.49Å; A467-L524 HydrophobicContact CB-CD2 4.35Å; T513-L524 HydrophobicContact CG2-CD1 3.81Å; T513-L524 HydrophobicContact CG2-CD2 4.28Å; T513-L524 HydrophobicContact CG2-CG 4.1Å; R516-L524 VanDerWaalsContact CZ-CD2 3.45Å; G519-L524 PolarHBondContact O-N 3.26Å; Q521-L524 WeakPolarHBondContact O-CB 3.49Å; Q521-L524 PolarHBondContact O-N 3.27Å; N522-L524 PolarHBondContact O-N 2.89Å; L524-S526 VanDerWaalsContact C-N 3.34Å; L524-S526 PolarHBondContact O-N 3.21Å; L524-A527 PolarHBondContact O-N 2.96Å; L524-A528 VanDerWaalsContact O-CB 3.27Å; L524-A528 WeakPolarHBondContact O-CB 3.26Å; L524-A528 PolarHBondContact O-N 3.38Å |
| 525 | R | 94.8 | Very high | 93.1 | Very high | 39 Ų | 39 | 44.8 Ų | 44.8 | 15% | 0.147 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.8 | -41.4 | -179.8 | -177.4 | 174.3 | 63 | 159.7 | 5 | 111.3 | G519 N523 Y529 Q576 L583 | G519-R525 VanDerWaalsContact O-CB 3.24Å; G519-R525 WeakPolarHBondContact O-CB 3.44Å; G519-R525 PolarHBondContact O-N 3.44Å; N523-R525 VanDerWaalsContact C-N 3.3Å; N523-R525 PolarHBondContact O-N 3.09Å; R525-Y529 HydrophobicContact CG-CD2 4.02Å; R525-Y529 HydrophobicContact CG-CE2 4.02Å; R525-Y529 VanDerWaalsContact O-CD2 3.31Å; R525-Y529 WeakPolarHBondContact O-CD2 3.49Å; R525-Y529 PolarHBondContact O-N 3.44Å; R525-Y529 VanDerWaalsContact O-N 3.09Å; R525-Q576 PolarHBondContact NH1-O 2.68Å; R525-Q576 PolarHBondContact NH2-O 2.97Å; R525-L583 HydrophobicContact CG-CD1 4.29Å |
| 526 | S | 93.9 | Very high | 93.2 | Very high | 35 Ų | 35 | 39.8 Ų | 39.8 | 25% | 0.245 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.8 | -50.8 | 176.3 | -54.4 | 0 | 0 | 0 | 0 | 110.3 | N523 L524 A528 Y529 E530 | N523-S526 WeakPolarHBondContact O-CB 3.44Å; N523-S526 PolarHBondContact O-N 3.08Å; L524-S526 VanDerWaalsContact C-N 3.34Å; L524-S526 PolarHBondContact O-N 3.21Å; S526-A528 VanDerWaalsContact C-N 3.27Å; S526-A528 PolarHBondContact O-N 3.02Å; S526-Y529 PolarHBondContact O-N 3.31Å; S526-Y529 VanDerWaalsContact O-N 3.09Å; S526-E530 WeakPolarHBondContact O-CG 3.39Å; S526-E530 PolarHBondContact O-N 3.05Å |
| 527 | A | 95.6 | Very high | 93.1 | Very high | 13 Ų | 13 | 42.4 Ų | 42.4 | 11% | 0.107 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.9 | -39.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S468 C471 N523 L524 E530 A531 | S468-A527 WeakPolarHBondContact OG-CB 3.31Å; C471-A527 HydrophobicContact CB-CB 3.99Å; C471-A527 WeakPolarHBondContact CB-O 3.42Å; N523-A527 PolarHBondContact O-N 3.31Å; L524-A527 PolarHBondContact O-N 2.96Å; A527-E530 PolarHBondContact O-N 2.56Å; A527-A531 WeakPolarHBondContact O-CB 3.35Å; A527-A531 PolarHBondContact O-N 2.97Å |
| 528 | A | 97.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.3 | -37.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T513 T514 L524 S526 L532 | T513-A528 HydrophobicContact CG2-CB 3.76Å; T514-A528 HydrophobicContact CG2-CB 3.6Å; L524-A528 VanDerWaalsContact O-CB 3.27Å; L524-A528 WeakPolarHBondContact O-CB 3.26Å; L524-A528 PolarHBondContact O-N 3.38Å; S526-A528 VanDerWaalsContact C-N 3.27Å; S526-A528 PolarHBondContact O-N 3.02Å; A528-L532 WeakPolarHBondContact O-CB 3.46Å; A528-L532 PolarHBondContact O-N 3.05Å |
| 529 | Y | 96.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.6 | -39.8 | 172.8 | -87.9 | -67.4 | 0 | 0 | 0 | 111.5 | T514 R525 S526 L532 M533 I554 R557 L580 L583 L584 T587 | T514-Y529 HydrophobicContact CG2-CD1 3.99Å; T514-Y529 HydrophobicContact CG2-CD2 3.64Å; T514-Y529 HydrophobicContact CG2-CE1 4.06Å; T514-Y529 HydrophobicContact CG2-CE2 3.73Å; T514-Y529 HydrophobicContact CG2-CG 3.77Å; R525-Y529 HydrophobicContact CG-CD2 4.02Å; R525-Y529 HydrophobicContact CG-CE2 4.02Å; R525-Y529 VanDerWaalsContact O-CD2 3.31Å; R525-Y529 WeakPolarHBondContact O-CD2 3.49Å; R525-Y529 PolarHBondContact O-N 3.44Å; R525-Y529 VanDerWaalsContact O-N 3.09Å; S526-Y529 PolarHBondContact O-N 3.31Å; S526-Y529 VanDerWaalsContact O-N 3.09Å; Y529-L532 HydrophobicContact CD1-CD2 4.35Å; Y529-L532 CarbonylContact O-C 3.56Å; Y529-L532 WeakPolarHBondContact O-CB 3.48Å; Y529-L532 PolarHBondContact O-N 3.43Å; Y529-M533 VanDerWaalsContact O-CG 3.28Å; Y529-M533 WeakPolarHBondContact O-CG 3.33Å; Y529-M533 PolarHBondContact O-N 2.81Å; Y529-I554 HydrophobicContact CE1-CD1 4.16Å; Y529-R557 PolarHBondContact OH-NH1 3.07Å; Y529-L580 HydrophobicContact CE2-CD1 3.82Å; Y529-L583 HydrophobicContact CD2-CB 3.87Å; Y529-L583 HydrophobicContact CD2-CD1 3.87Å; Y529-L583 HydrophobicContact CD2-CG 4.37Å; Y529-L583 HydrophobicContact CE2-CB 4.42Å; Y529-L583 HydrophobicContact CG-CB 4.06Å; Y529-L584 HydrophobicContact CE1-CD2 3.86Å; Y529-T587 WeakPolarHBondContact CD1-OG1 3.46Å |
| 530 | E | 95.9 | Very high | 93.6 | Very high | 111 Ų | 111 | 35.1 Ų | 35.1 | 52% | 0.519 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.7 | -48.1 | 174.2 | -74.2 | 169.5 | -165.6 | 0 | 0 | 112 | S526 A527 L532 M533 E534 | S526-E530 WeakPolarHBondContact O-CG 3.39Å; S526-E530 PolarHBondContact O-N 3.05Å; A527-E530 PolarHBondContact O-N 2.56Å; E530-L532 PolarHBondContact O-N 3.47Å; E530-M533 HydrophobicContact CB-CE 4.27Å; E530-M533 HydrophobicContact CG-CE 3.78Å; E530-M533 WeakPolarHBondContact O-CB 3.34Å; E530-M533 PolarHBondContact O-N 2.88Å; E530-M533 VanDerWaalsContact O-N 3.08Å; E530-E534 PolarHBondContact O-N 3.08Å |
| 531 | A | 97 | Very high | 93.9 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60 | -36.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | C471 L510 A527 I535 | C471-A531 HydrophobicContact CB-CB 3.82Å; C471-A531 VanDerWaalsContact O-CB 3.26Å; C471-A531 WeakPolarHBondContact O-CB 3.26Å; L510-A531 HydrophobicContact CD1-CB 4.22Å; L510-A531 HydrophobicContact CD2-CB 3.87Å; A527-A531 WeakPolarHBondContact O-CB 3.35Å; A527-A531 PolarHBondContact O-N 2.97Å; A531-I535 WeakPolarHBondContact O-CB 3.35Å; A531-I535 VanDerWaalsContact O-CG2 3.23Å; A531-I535 WeakPolarHBondContact O-CG2 3.31Å; A531-I535 PolarHBondContact O-N 3.27Å |
| 532 | L | 97.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.8 | -37.2 | 174.8 | -178.8 | 64.9 | 0 | 0 | 0 | 112.3 | V507 L510 L511 A528 Y529 E530 I535 V536 T550 I554 T587 | V507-L532 HydrophobicContact CB-CD1 4.44Å; V507-L532 HydrophobicContact CG1-CD1 3.97Å; V507-L532 HydrophobicContact CG2-CD1 4.35Å; L510-L532 HydrophobicContact CB-CB 4.4Å; L510-L532 HydrophobicContact CB-CD1 4.39Å; L510-L532 HydrophobicContact CD1-CB 4.41Å; L511-L532 HydrophobicContact CD2-CD2 3.62Å; L511-L532 HydrophobicContact CG-CD2 4.17Å; A528-L532 WeakPolarHBondContact O-CB 3.46Å; A528-L532 PolarHBondContact O-N 3.05Å; Y529-L532 HydrophobicContact CD1-CD2 4.35Å; Y529-L532 CarbonylContact O-C 3.56Å; Y529-L532 WeakPolarHBondContact O-CB 3.48Å; Y529-L532 PolarHBondContact O-N 3.43Å; E530-L532 PolarHBondContact O-N 3.47Å; L532-I535 HydrophobicContact CD1-CG2 4.3Å; L532-I535 VanDerWaalsContact O-CG2 3.3Å; L532-I535 WeakPolarHBondContact O-CG2 3.3Å; L532-V536 HydrophobicContact CD1-CG2 4.43Å; L532-V536 WeakPolarHBondContact O-CB 3.4Å; L532-V536 VanDerWaalsContact O-CG2 3.24Å; L532-V536 WeakPolarHBondContact O-CG2 3.4Å; L532-V536 PolarHBondContact O-N 3.42Å; L532-T550 HydrophobicContact CD1-CG2 4.19Å; L532-I554 HydrophobicContact CD2-CD1 4.11Å; L532-T587 HydrophobicContact CD2-CG2 4.39Å |
| 533 | M | 95.3 | Very high | 94.6 | Very high | 20 Ų | 20 | 31.4 Ų | 31.4 | 10% | 0.099 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.6 | -49.7 | 174.9 | -74.4 | -173.7 | -75.4 | 0 | 0 | 110.6 | Y529 E530 V536 K537 A586 T587 N590 | Y529-M533 VanDerWaalsContact O-CG 3.28Å; Y529-M533 WeakPolarHBondContact O-CG 3.33Å; Y529-M533 PolarHBondContact O-N 2.81Å; E530-M533 HydrophobicContact CB-CE 4.27Å; E530-M533 HydrophobicContact CG-CE 3.78Å; E530-M533 WeakPolarHBondContact O-CB 3.34Å; E530-M533 PolarHBondContact O-N 2.88Å; E530-M533 VanDerWaalsContact O-N 3.08Å; M533-V536 PolarHBondContact O-N 3.3Å; M533-K537 WeakPolarHBondContact O-CB 3.3Å; M533-K537 PolarHBondContact O-N 3.04Å; M533-A586 HydrophobicContact CE-CB 4.14Å; M533-A586 HydrophobicContact SD-CB 3.67Å; M533-A586 VanDerWaalsContact SD-O 3.36Å; M533-T587 HydrophobicContact CG-CG2 4.15Å; M533-T587 VanDerWaalsContact SD-CA 3.59Å; M533-T587 PolarHBondContact SD-N 2.92Å; M533-T587 VanDerWaalsContact SD-N 3.35Å; M533-N590 HydrophobicContact CB-CB 4.19Å; M533-N590 HydrophobicContact CG-CB 4.21Å; M533-N590 PolarHBondContact SD-ND2 3.5Å |
| 534 | E | 95.6 | Very high | 94.7 | Very high | 30 Ų | 30 | 27.5 Ų | 27.5 | 14% | 0.14 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -71.1 | -38.3 | -174.1 | -156.8 | 58.9 | -141.2 | 0 | 0 | 112.2 | E479 E530 V536 K537 N538 | E479-E534 HydrophobicContact CG-CG 3.71Å; E479-E534 WeakPolarHBondContact CG-OE1 3.5Å; E479-E534 VanDerWaalsContact OE1-CD 3.25Å; E479-E534 WeakPolarHBondContact OE1-CG 3.35Å; E530-E534 PolarHBondContact O-N 3.08Å; E534-V536 VanDerWaalsContact C-N 3.32Å; E534-V536 PolarHBondContact O-N 2.92Å; E534-K537 PolarHBondContact O-N 3.34Å; E534-K537 IonicContact OE1-NZ 2.67Å; E534-K537 PolarHBondContact OE1-NZ 3.29Å; E534-K537 IonicContact OE2-NZ 4Å; E534-K537 PolarHBondContact OE2-NZ 3.43Å; E534-N538 VanDerWaalsContact CD-ND2 3.34Å; E534-N538 WeakPolarHBondContact CG-ND2 3.48Å; E534-N538 WeakPolarHBondContact O-CB 3.31Å; E534-N538 PolarHBondContact O-N 2.95Å; E534-N538 PolarHBondContact O-ND2 2.92Å; E534-N538 PolarHBondContact OE1-ND2 2.9Å |
| 535 | I | 95.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.2 | -35.8 | 174.1 | -167.6 | 65.3 | 0 | 0 | 0 | 111.8 | A478 L499 F503 I506 V507 L510 A531 L532 N538 | A478-I535 HydrophobicContact CB-CB 4.33Å; A478-I535 HydrophobicContact CB-CD1 3.45Å; A478-I535 VanDerWaalsContact CB-CD1 3.45Å; A478-I535 HydrophobicContact CB-CG1 4.46Å; L499-I535 HydrophobicContact CD1-CD1 4.01Å; F503-I535 HydrophobicContact CD2-CD1 4.38Å; F503-I535 HydrophobicContact CD2-CG1 4.13Å; F503-I535 HydrophobicContact CE2-CD1 4.35Å; F503-I535 HydrophobicContact CE2-CG1 3.8Å; F503-I535 WeakPolarHBondContact CE2-O 3.37Å; I506-I535 HydrophobicContact CG2-CG1 4.33Å; V507-I535 HydrophobicContact CG2-CG2 4.14Å; L510-I535 HydrophobicContact CD1-CG2 4.01Å; A531-I535 WeakPolarHBondContact O-CB 3.35Å; A531-I535 VanDerWaalsContact O-CG2 3.23Å; A531-I535 WeakPolarHBondContact O-CG2 3.31Å; A531-I535 PolarHBondContact O-N 3.27Å; L532-I535 HydrophobicContact CD1-CG2 4.3Å; L532-I535 VanDerWaalsContact O-CG2 3.3Å; L532-I535 WeakPolarHBondContact O-CG2 3.3Å; I535-N538 CarbonylContact O-C 3.56Å |
| 536 | V | 94.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -72.1 | -45 | 178.4 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | L532 M533 E534 N538 S539 V547 T550 V591 K594 | L532-V536 HydrophobicContact CD1-CG2 4.43Å; L532-V536 WeakPolarHBondContact O-CB 3.4Å; L532-V536 VanDerWaalsContact O-CG2 3.24Å; L532-V536 WeakPolarHBondContact O-CG2 3.4Å; L532-V536 PolarHBondContact O-N 3.42Å; M533-V536 PolarHBondContact O-N 3.3Å; E534-V536 VanDerWaalsContact C-N 3.32Å; E534-V536 PolarHBondContact O-N 2.92Å; V536-N538 VanDerWaalsContact C-N 3.34Å; V536-N538 PolarHBondContact O-N 3.3Å; V536-S539 VanDerWaalsContact O-CB 3.31Å; V536-S539 WeakPolarHBondContact O-CB 3.27Å; V536-S539 PolarHBondContact O-N 3.42Å; V536-S539 PolarHBondContact O-OG 3.36Å; V536-V547 HydrophobicContact CG1-CG1 3.93Å; V536-V547 HydrophobicContact CG1-CG2 4.27Å; V536-T550 HydrophobicContact CG2-CG2 4.49Å; V536-V591 HydrophobicContact CG1-CG1 4.2Å; V536-K594 HydrophobicContact CG1-CB 4.43Å |
| 537 | K | 93.1 | Very high | 94.5 | Very high | 99 Ų | 99 | 28.8 Ų | 28.8 | 43% | 0.43 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -56 | -49.7 | 175.7 | 175.6 | -179.9 | 157.8 | -145 | 0 | 110.8 | M533 E534 S539 | M533-K537 WeakPolarHBondContact O-CB 3.3Å; M533-K537 PolarHBondContact O-N 3.04Å; E534-K537 PolarHBondContact O-N 3.34Å; E534-K537 IonicContact OE1-NZ 2.67Å; E534-K537 PolarHBondContact OE1-NZ 3.29Å; E534-K537 IonicContact OE2-NZ 4Å; E534-K537 PolarHBondContact OE2-NZ 3.43Å; K537-S539 VanDerWaalsContact C-N 3.26Å; K537-S539 PolarHBondContact O-N 3.18Å |
| 538 | N | 93.2 | Very high | 94.2 | Very high | 16 Ų | 16 | 31.7 Ų | 31.7 | 9% | 0.086 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 43.5 | -179 | -58.7 | -54 | 0 | 0 | 0 | 112.8 | A478 E479 Y482 Y497 E534 I535 V536 | A478-N538 HydrophobicContact CB-CB 4.4Å; E479-N538 VanDerWaalsContact CG-ND2 3.28Å; E479-N538 WeakPolarHBondContact CG-ND2 3.44Å; Y482-N538 HydrophobicContact CD2-CB 4.31Å; Y482-N538 HydrophobicContact CG-CB 4.02Å; Y497-N538 WeakPolarHBondContact CE2-O 3.3Å; Y497-N538 PolarHBondContact OH-O 3.49Å; E534-N538 VanDerWaalsContact CD-ND2 3.34Å; E534-N538 WeakPolarHBondContact CG-ND2 3.48Å; E534-N538 WeakPolarHBondContact O-CB 3.31Å; E534-N538 PolarHBondContact O-N 2.95Å; E534-N538 PolarHBondContact O-ND2 2.92Å; E534-N538 PolarHBondContact OE1-ND2 2.9Å; I535-N538 CarbonylContact O-C 3.56Å; V536-N538 VanDerWaalsContact C-N 3.34Å; V536-N538 PolarHBondContact O-N 3.3Å |
| 539 | S | 93.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | trans | -102.6 | 142.1 | 176.7 | 67.2 | 0 | 0 | 0 | 0 | 112.1 | F503 V536 K537 K594 | F503-S539 VanDerWaalsContact CE2-CB 3.46Å; V536-S539 VanDerWaalsContact O-CB 3.31Å; V536-S539 WeakPolarHBondContact O-CB 3.27Å; V536-S539 PolarHBondContact O-N 3.42Å; V536-S539 PolarHBondContact O-OG 3.36Å; K537-S539 VanDerWaalsContact C-N 3.26Å; K537-S539 PolarHBondContact O-N 3.18Å; S539-K594 VanDerWaalsContact O-CE 3.29Å; S539-K594 WeakPolarHBondContact O-CE 3.4Å; S539-K594 PolarHBondContact O-NZ 2.84Å; S539-K594 VanDerWaalsContact O-NZ 3.07Å; S539-K594 WeakPolarHBondContact OG-CE 3.44Å | ||
| 540 | A | 92.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | trans | -76.9 | 163.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P494 Y497 D542 C543 | P494-A540 HydrophobicContact CG-CB 4.34Å; Y497-A540 HydrophobicContact CD1-CB 3.94Å; Y497-A540 HydrophobicContact CE1-CB 4.34Å; Y497-A540 HydrophobicContact CG-CB 4.22Å; A540-D542 VanDerWaalsContact C-N 3.26Å; A540-D542 WeakPolarHBondContact CB-OD1 3.45Å; A540-D542 PolarHBondContact O-N 3.47Å; A540-C543 VanDerWaalsContact O-CB 3.27Å; A540-C543 WeakPolarHBondContact O-CB 3.45Å; A540-C543 PolarHBondContact O-N 3.13Å | ||
| 541 | K | 90.8 | Very high | 93.3 | Very high | 89 Ų | 89 | 32.1 Ų | 32.1 | 39% | 0.387 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -56.7 | -35.8 | -176.6 | -69.3 | 175.2 | -175.6 | 164.6 | 0 | 113.9 | Q491 E493 P494 C543 Y544 | Q491-K541 VanDerWaalsContact OE1-NZ 3.1Å; E493-K541 HydrophobicContact CB-CG 4.3Å; E493-K541 WeakPolarHBondContact O-CE 3.42Å; E493-K541 PolarHBondContact O-NZ 2.77Å; E493-K541 VanDerWaalsContact O-NZ 3.08Å; P494-K541 WeakPolarHBondContact O-CG 3.21Å; P494-K541 PolarHBondContact O-N 3.02Å; K541-C543 PolarHBondContact O-N 2.78Å; K541-Y544 VanDerWaalsContact O-CB 3.27Å; K541-Y544 WeakPolarHBondContact O-CB 3.45Å; K541-Y544 PolarHBondContact O-N 3.45Å |
| 542 | D | 93.6 | Very high | 92.8 | Very high | 75 Ų | 75 | 37.3 Ų | 37.3 | 40% | 0.401 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -69.3 | -14.9 | 178.9 | 67.6 | -15.9 | 0 | 0 | 0 | 113.9 | S495 T496 S500 A540 Y544 P545 | S495-D542 WeakPolarHBondContact O-CB 3.45Å; S495-D542 PolarHBondContact O-N 3.33Å; T496-D542 VanDerWaalsContact CB-OD2 3.26Å; T496-D542 WeakPolarHBondContact CB-OD2 3.46Å; T496-D542 PolarHBondContact OG1-OD2 3.16Å; S500-D542 VanDerWaalsContact CB-OD2 3.24Å; S500-D542 WeakPolarHBondContact CB-OD2 3.27Å; S500-D542 VanDerWaalsContact OG-CG 3.25Å; S500-D542 PolarHBondContact OG-OD1 3.09Å; S500-D542 PolarHBondContact OG-OD2 3.35Å; A540-D542 VanDerWaalsContact C-N 3.26Å; A540-D542 WeakPolarHBondContact CB-OD1 3.45Å; A540-D542 PolarHBondContact O-N 3.47Å; D542-Y544 VanDerWaalsContact C-N 3.32Å; D542-P545 WeakPolarHBondContact O-CD 3.36Å |
| 543 | C | 94.7 | Very high | 92.6 | Very high | 6 Ų | 6 | 39.2 Ų | 39.2 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -83.2 | -8 | 175.5 | -60.2 | 0 | 0 | 0 | 0 | 113 | F503 A540 K541 P545 A546 V547 | F503-C543 HydrophobicContact CD1-CB 3.81Å; F503-C543 HydrophobicContact CD2-CB 4.11Å; F503-C543 HydrophobicContact CE1-CB 3.9Å; F503-C543 HydrophobicContact CE2-CB 4.18Å; F503-C543 HydrophobicContact CG-CB 3.92Å; F503-C543 HydrophobicContact CZ-CB 4.08Å; A540-C543 VanDerWaalsContact O-CB 3.27Å; A540-C543 WeakPolarHBondContact O-CB 3.45Å; A540-C543 PolarHBondContact O-N 3.13Å; K541-C543 PolarHBondContact O-N 2.78Å; C543-P545 VanDerWaalsContact C-N 3.35Å; C543-A546 WeakPolarHBondContact O-CB 3.44Å; C543-A546 PolarHBondContact O-N 3.04Å; C543-V547 PolarHBondContact O-N 2.97Å; C543-V547 VanDerWaalsContact O-N 3.08Å |
| 544 | Y | 92.7 | Very high | 92.5 | Very high | 35 Ų | 35 | 38.2 Ų | 38.2 | 14% | 0.137 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -50.7 | -40.5 | -178.2 | -168.5 | -109.1 | 0 | 0 | 0 | 115.3 | K541 D542 A546 V547 Q548 Q596 D599 | K541-Y544 VanDerWaalsContact O-CB 3.27Å; K541-Y544 WeakPolarHBondContact O-CB 3.45Å; K541-Y544 PolarHBondContact O-N 3.45Å; D542-Y544 VanDerWaalsContact C-N 3.32Å; Y544-A546 VanDerWaalsContact C-N 3.27Å; Y544-A546 PolarHBondContact O-N 3.48Å; Y544-V547 PolarHBondContact O-N 2.93Å; Y544-V547 VanDerWaalsContact O-N 3.17Å; Y544-Q548 HydrophobicContact CD1-CG 4.03Å; Y544-Q548 VanDerWaalsContact CE1-CD 3.48Å; Y544-Q548 HydrophobicContact CE1-CG 3.63Å; Y544-Q548 HydrophobicContact CE2-CG 4.49Å; Y544-Q548 PolarHBondContact O-N 3.05Å; Y544-Q596 HydrophobicContact CE1-CG 4.21Å; Y544-Q596 HydrophobicContact CE2-CG 4.06Å; Y544-Q596 WeakPolarHBondContact OH-CB 3.15Å; Y544-Q596 WeakPolarHBondContact OH-CG 3.31Å; Y544-Q596 PolarHBondContact OH-N 2.94Å; Y544-D599 PolarHBondContact OH-OD2 3.25Å |
| 545 | P | 92.7 | Very high | 92 | Very high | 87 Ų | 87 | 37.8 Ų | 37.8 | 57% | 0.565 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -60.9 | -36.1 | 177 | -23.2 | 35 | 0 | 0 | 0 | 113.2 | D542 C543 K549 | D542-P545 WeakPolarHBondContact O-CD 3.36Å; C543-P545 VanDerWaalsContact C-N 3.35Å; P545-K549 PolarHBondContact O-N 3.45Å |
| 546 | A | 93.5 | Very high | 91.7 | Very high | 14 Ų | 14 | 43 Ų | 43 | 12% | 0.116 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.6 | -41.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | F503 E504 C543 Y544 Q548 K549 T550 | F503-A546 HydrophobicContact CD1-CB 3.57Å; F503-A546 HydrophobicContact CE1-CB 3.66Å; E504-A546 HydrophobicContact CB-CB 4.39Å; C543-A546 WeakPolarHBondContact O-CB 3.44Å; C543-A546 PolarHBondContact O-N 3.04Å; Y544-A546 VanDerWaalsContact C-N 3.27Å; Y544-A546 PolarHBondContact O-N 3.48Å; A546-Q548 VanDerWaalsContact C-N 3.35Å; A546-Q548 PolarHBondContact O-N 2.87Å; A546-K549 WeakPolarHBondContact O-CB 3.35Å; A546-K549 PolarHBondContact O-N 2.95Å; A546-T550 PolarHBondContact O-N 3.17Å; A546-T550 PolarHBondContact O-OG1 2.69Å |
| 547 | V | 92.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57 | -46.6 | 174 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | F503 V536 C543 Y544 K549 T550 T551 K594 | F503-V547 HydrophobicContact CE1-CG2 4.07Å; F503-V547 HydrophobicContact CZ-CG2 3.96Å; V536-V547 HydrophobicContact CG1-CG1 3.93Å; V536-V547 HydrophobicContact CG1-CG2 4.27Å; C543-V547 PolarHBondContact O-N 2.97Å; C543-V547 VanDerWaalsContact O-N 3.08Å; Y544-V547 PolarHBondContact O-N 2.93Å; Y544-V547 VanDerWaalsContact O-N 3.17Å; V547-K549 VanDerWaalsContact C-N 3.34Å; V547-K549 PolarHBondContact O-N 3.05Å; V547-T550 WeakPolarHBondContact O-CB 3.49Å; V547-T550 PolarHBondContact O-N 2.75Å; V547-T550 VanDerWaalsContact O-N 3.15Å; V547-T551 PolarHBondContact O-N 2.71Å; V547-T551 PolarHBondContact O-OG1 2.88Å; V547-K594 HydrophobicContact CG1-CB 4.39Å; V547-K594 HydrophobicContact CG1-CG 4.33Å |
| 548 | Q | 88.8 | Confident | 91.3 | Very high | 74 Ų | 74 | 39.7 Ų | 39.7 | 35% | 0.346 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -56.8 | -46 | 176.4 | -76.2 | -174.4 | -32.1 | 0 | 0 | 112.3 | Y544 A546 T550 T551 L552 D599 | Y544-Q548 HydrophobicContact CD1-CG 4.03Å; Y544-Q548 VanDerWaalsContact CE1-CD 3.48Å; Y544-Q548 HydrophobicContact CE1-CG 3.63Å; Y544-Q548 HydrophobicContact CE2-CG 4.49Å; Y544-Q548 PolarHBondContact O-N 3.05Å; A546-Q548 VanDerWaalsContact C-N 3.35Å; A546-Q548 PolarHBondContact O-N 2.87Å; Q548-T550 VanDerWaalsContact C-N 3.33Å; Q548-T550 PolarHBondContact O-N 2.92Å; Q548-T551 PolarHBondContact O-N 3.47Å; Q548-L552 WeakPolarHBondContact O-CG 3.45Å; Q548-L552 PolarHBondContact O-N 3.25Å; Q548-D599 PolarHBondContact NE2-OD2 3.32Å |
| 549 | K | 90.9 | Very high | 90.9 | Very high | 115 Ų | 115 | 42.6 Ų | 42.6 | 50% | 0.5 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62 | -42.3 | 177.7 | -173.5 | -175.8 | 178.5 | -167.2 | 0 | 111 | E504 P545 A546 V547 L552 V553 | E504-K549 IonicContact OE1-NZ 2.95Å; E504-K549 PolarHBondContact OE1-NZ 2.99Å; P545-K549 PolarHBondContact O-N 3.45Å; A546-K549 WeakPolarHBondContact O-CB 3.35Å; A546-K549 PolarHBondContact O-N 2.95Å; V547-K549 VanDerWaalsContact C-N 3.34Å; V547-K549 PolarHBondContact O-N 3.05Å; K549-L552 PolarHBondContact O-N 3.03Å; K549-V553 WeakPolarHBondContact O-CG2 3.31Å; K549-V553 PolarHBondContact O-N 3.3Å; K549-V553 VanDerWaalsContact O-N 3.17Å |
| 550 | T | 92.2 | Very high | 90.7 | Very high | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.1 | -45.5 | 175.7 | -54.8 | 0 | 0 | 0 | 0 | 111.7 | V507 L532 V536 A546 V547 Q548 L552 V553 I554 | V507-T550 HydrophobicContact CG1-CG2 4.12Å; V507-T550 WeakPolarHBondContact CG1-OG1 3.23Å; L532-T550 HydrophobicContact CD1-CG2 4.19Å; V536-T550 HydrophobicContact CG2-CG2 4.49Å; A546-T550 PolarHBondContact O-N 3.17Å; A546-T550 PolarHBondContact O-OG1 2.69Å; V547-T550 WeakPolarHBondContact O-CB 3.49Å; V547-T550 PolarHBondContact O-N 2.75Å; V547-T550 VanDerWaalsContact O-N 3.15Å; Q548-T550 VanDerWaalsContact C-N 3.33Å; Q548-T550 PolarHBondContact O-N 2.92Å; T550-L552 VanDerWaalsContact C-N 3.26Å; T550-L552 PolarHBondContact O-N 2.98Å; T550-V553 WeakPolarHBondContact O-CA 3.36Å; T550-V553 WeakPolarHBondContact O-CB 3.35Å; T550-V553 PolarHBondContact O-N 2.8Å; T550-I554 HydrophobicContact CG2-CG1 4.3Å; T550-I554 WeakPolarHBondContact O-CG1 3.47Å; T550-I554 PolarHBondContact O-N 3.27Å |
| 551 | T | 88.2 | Confident | 90.3 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.025 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54.8 | -43.8 | 177 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | V547 Q548 V553 I554 M555 V591 V595 I603 | V547-T551 PolarHBondContact O-N 2.71Å; V547-T551 PolarHBondContact O-OG1 2.88Å; Q548-T551 PolarHBondContact O-N 3.47Å; T551-V553 PolarHBondContact O-N 3.06Å; T551-I554 PolarHBondContact O-N 3.17Å; T551-M555 HydrophobicContact CG2-SD 4.32Å; T551-M555 VanDerWaalsContact O-CG 3.31Å; T551-M555 WeakPolarHBondContact O-CG 3.5Å; T551-M555 PolarHBondContact O-N 3.34Å; T551-V591 HydrophobicContact CG2-CB 4.49Å; T551-V591 HydrophobicContact CG2-CG2 4.05Å; T551-V595 HydrophobicContact CG2-CG1 4.32Å; T551-I603 HydrophobicContact CG2-CD1 3.85Å |
| 552 | L | 88 | Confident | 89.9 | Confident | 109 Ų | 109 | 43.2 Ų | 43.2 | 57% | 0.571 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -63.6 | -39.9 | 176.6 | -64.7 | 176.1 | 0 | 0 | 0 | 112.5 | Q548 K549 T550 M555 E556 | Q548-L552 WeakPolarHBondContact O-CG 3.45Å; Q548-L552 PolarHBondContact O-N 3.25Å; K549-L552 PolarHBondContact O-N 3.03Å; T550-L552 VanDerWaalsContact C-N 3.26Å; T550-L552 PolarHBondContact O-N 2.98Å; L552-M555 PolarHBondContact O-N 2.85Å; L552-E556 PolarHBondContact O-N 3.16Å |
| 553 | V | 92.6 | Very high | 89.4 | Confident | 41 Ų | 41 | 45.4 Ų | 45.4 | 25% | 0.248 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.5 | -44.4 | 176.2 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | L511 K549 T550 T551 M555 E556 R557 | L511-V553 HydrophobicContact CD1-CG1 4.22Å; L511-V553 HydrophobicContact CD2-CG1 4.09Å; K549-V553 WeakPolarHBondContact O-CG2 3.31Å; K549-V553 PolarHBondContact O-N 3.3Å; K549-V553 VanDerWaalsContact O-N 3.17Å; T550-V553 WeakPolarHBondContact O-CA 3.36Å; T550-V553 WeakPolarHBondContact O-CB 3.35Å; T550-V553 PolarHBondContact O-N 2.8Å; T551-V553 PolarHBondContact O-N 3.06Å; V553-M555 VanDerWaalsContact C-N 3.32Å; V553-M555 PolarHBondContact O-N 3.04Å; V553-E556 PolarHBondContact O-N 3.44Å; V553-R557 HydrophobicContact CG1-CG 4.41Å; V553-R557 WeakPolarHBondContact O-CG 3.49Å; V553-R557 PolarHBondContact O-N 2.9Å |
| 554 | I | 91.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.2 | -41.8 | 177.9 | -63 | -56.4 | 0 | 0 | 0 | 110.8 | L511 Y529 L532 T550 T551 R557 L558 L584 T587 | L511-I554 HydrophobicContact CD2-CD1 4.24Å; Y529-I554 HydrophobicContact CE1-CD1 4.16Å; L532-I554 HydrophobicContact CD2-CD1 4.11Å; T550-I554 HydrophobicContact CG2-CG1 4.3Å; T550-I554 WeakPolarHBondContact O-CG1 3.47Å; T550-I554 PolarHBondContact O-N 3.27Å; T551-I554 PolarHBondContact O-N 3.17Å; I554-R557 PolarHBondContact O-N 3.43Å; I554-L558 WeakPolarHBondContact O-CB 3.49Å; I554-L558 PolarHBondContact O-N 3.3Å; I554-L584 HydrophobicContact CD1-CD2 4.3Å; I554-L584 HydrophobicContact CG2-CD2 4.24Å; I554-T587 HydrophobicContact CD1-CG2 3.72Å; I554-T587 HydrophobicContact CG1-CG2 3.82Å; I554-T587 HydrophobicContact CG2-CG2 4.26Å |
| 555 | M | 85.2 | Confident | 87.9 | Confident | 21 Ų | 21 | 51.3 Ų | 51.3 | 10% | 0.103 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 174.4 | -72.8 | 174.6 | 54.3 | 0 | 0 | 112.6 | T551 L552 V553 L558 Q559 I603 V606 V607 | T551-M555 HydrophobicContact CG2-SD 4.32Å; T551-M555 VanDerWaalsContact O-CG 3.31Å; T551-M555 WeakPolarHBondContact O-CG 3.5Å; T551-M555 PolarHBondContact O-N 3.34Å; L552-M555 PolarHBondContact O-N 2.85Å; V553-M555 VanDerWaalsContact C-N 3.32Å; V553-M555 PolarHBondContact O-N 3.04Å; M555-L558 PolarHBondContact O-N 2.91Å; M555-Q559 WeakPolarHBondContact O-CG 3.48Å; M555-Q559 PolarHBondContact O-N 3.23Å; M555-Q559 VanDerWaalsContact O-N 3.08Å; M555-I603 HydrophobicContact CE-CB 4.02Å; M555-I603 HydrophobicContact CE-CG2 4.14Å; M555-I603 HydrophobicContact SD-CB 3.72Å; M555-I603 HydrophobicContact SD-CD1 4.37Å; M555-I603 HydrophobicContact SD-CG2 3.72Å; M555-V606 HydrophobicContact CE-CB 3.8Å; M555-V606 HydrophobicContact CE-CG1 3.59Å; M555-V606 HydrophobicContact CE-CG2 4.46Å; M555-V607 HydrophobicContact CG-CG2 4.44Å; M555-V607 HydrophobicContact SD-CG2 4.49Å |
| 556 | E | 89.9 | Confident | 87 | Confident | 111 Ų | 111 | 51.8 Ų | 51.8 | 52% | 0.519 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 176.7 | -172.7 | -178.8 | 176.3 | 0 | 0 | 110.8 | L552 V553 L558 Q559 Q560 | L552-E556 PolarHBondContact O-N 3.16Å; V553-E556 PolarHBondContact O-N 3.44Å; E556-L558 PolarHBondContact O-N 3.45Å; E556-Q559 PolarHBondContact O-N 3.17Å; E556-Q560 WeakPolarHBondContact O-CG 3.46Å; E556-Q560 PolarHBondContact O-N 2.9Å; E556-Q560 PolarHBondContact OE1-NE2 3.21Å |
| 557 | R | 91.8 | Very high | 86.3 | Confident | 26 Ų | 26 | 57.5 Ų | 57.5 | 10% | 0.098 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 177 | -72.8 | -179.1 | 174.8 | -169.4 | -0.1 | 112.1 | L511 T514 D515 Y529 V553 I554 Q559 Q560 V561 L584 | L511-R557 PolarHBondContact O-NH2 3.08Å; T514-R557 PolarHBondContact OG1-NH1 3.41Å; D515-R557 IonicContact OD1-CZ 3.5Å; D515-R557 IonicContact OD1-NE 3.67Å; D515-R557 IonicContact OD1-NH1 2.78Å; D515-R557 IonicContact OD1-NH2 3.29Å; D515-R557 PolarHBondContact OD1-NH2 2.87Å; D515-R557 IonicContact OD2-CZ 2.81Å; D515-R557 IonicContact OD2-NE 2.82Å; D515-R557 IonicContact OD2-NH2 3.25Å; D515-R557 PolarHBondContact OD2-NH2 3.45Å; Y529-R557 PolarHBondContact OH-NH1 3.07Å; V553-R557 HydrophobicContact CG1-CG 4.41Å; V553-R557 WeakPolarHBondContact O-CG 3.49Å; V553-R557 PolarHBondContact O-N 2.9Å; I554-R557 PolarHBondContact O-N 3.43Å; R557-Q559 VanDerWaalsContact C-N 3.3Å; R557-Q559 PolarHBondContact O-N 3.44Å; R557-Q560 PolarHBondContact O-N 3.41Å; R557-Q560 VanDerWaalsContact O-N 3.17Å; R557-V561 WeakPolarHBondContact O-CG2 3.21Å; R557-V561 PolarHBondContact O-N 2.95Å; R557-L584 HydrophobicContact CB-CD1 4.26Å; R557-L584 HydrophobicContact CB-CD2 3.92Å |
| 558 | L | 87.3 | Confident | 85.8 | Confident | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.3 | -43.7 | 175.8 | -175.9 | 64.9 | 0 | 0 | 0 | 111.4 | I554 M555 E556 V561 L562 L584 L588 | I554-L558 WeakPolarHBondContact O-CB 3.49Å; I554-L558 PolarHBondContact O-N 3.3Å; M555-L558 PolarHBondContact O-N 2.91Å; E556-L558 PolarHBondContact O-N 3.45Å; L558-V561 PolarHBondContact O-N 3.48Å; L558-L562 WeakPolarHBondContact O-CG 3.29Å; L558-L562 PolarHBondContact O-N 3.32Å; L558-L562 VanDerWaalsContact O-N 3.12Å; L558-L584 HydrophobicContact CD1-CB 4.19Å; L558-L588 HydrophobicContact CD2-CD2 4.09Å |
| 559 | Q | 86.2 | Confident | 85.6 | Confident | 77 Ų | 77 | 64.9 Ų | 64.9 | 36% | 0.36 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 176.3 | -70.6 | -179.1 | 11.7 | 0 | 0 | 113.2 | M555 E556 R557 L562 Q563 | M555-Q559 WeakPolarHBondContact O-CG 3.48Å; M555-Q559 PolarHBondContact O-N 3.23Å; M555-Q559 VanDerWaalsContact O-N 3.08Å; E556-Q559 PolarHBondContact O-N 3.17Å; R557-Q559 VanDerWaalsContact C-N 3.3Å; R557-Q559 PolarHBondContact O-N 3.44Å; Q559-L562 PolarHBondContact O-N 3.31Å; Q559-Q563 WeakPolarHBondContact O-CG 3.39Å; Q559-Q563 PolarHBondContact O-N 2.95Å |
| 560 | Q | 88 | Confident | 85.4 | Confident | 93 Ų | 93 | 61.8 Ų | 61.8 | 44% | 0.435 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.9 | -46 | 176.1 | -72 | 175.8 | 9.9 | 0 | 0 | 110.7 | E556 R557 L562 Q563 M564 | E556-Q560 WeakPolarHBondContact O-CG 3.46Å; E556-Q560 PolarHBondContact O-N 2.9Å; E556-Q560 PolarHBondContact OE1-NE2 3.21Å; R557-Q560 PolarHBondContact O-N 3.41Å; R557-Q560 VanDerWaalsContact O-N 3.17Å; Q560-L562 VanDerWaalsContact C-N 3.3Å; Q560-L562 PolarHBondContact O-N 2.83Å; Q560-Q563 WeakPolarHBondContact O-CA 3.4Å; Q560-Q563 WeakPolarHBondContact O-CB 3.49Å; Q560-Q563 PolarHBondContact O-N 3.02Å; Q560-M564 WeakPolarHBondContact O-CG 3.38Å; Q560-M564 PolarHBondContact O-N 3.4Å; Q560-M564 VanDerWaalsContact O-N 3.13Å |
| 561 | V | 85.8 | Confident | 85 | Confident | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.03 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.6 | -43 | 176.9 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | R557 L558 Q563 M564 F577 L580 Q581 L584 | R557-V561 WeakPolarHBondContact O-CG2 3.21Å; R557-V561 PolarHBondContact O-N 2.95Å; L558-V561 PolarHBondContact O-N 3.48Å; V561-Q563 PolarHBondContact O-N 3.01Å; V561-M564 WeakPolarHBondContact O-CB 3.43Å; V561-M564 PolarHBondContact O-N 2.62Å; V561-F577 HydrophobicContact CG1-CD2 4.11Å; V561-F577 HydrophobicContact CG1-CE2 3.68Å; V561-F577 HydrophobicContact CG1-CZ 4.07Å; V561-F577 WeakPolarHBondContact O-CE2 3.18Å; V561-L580 HydrophobicContact CG2-CD2 3.46Å; V561-L580 VanDerWaalsContact CG2-CD2 3.46Å; V561-L580 HydrophobicContact CG2-CG 3.87Å; V561-Q581 HydrophobicContact CG1-CG 3.55Å; V561-L584 HydrophobicContact CB-CD1 4.34Å; V561-L584 HydrophobicContact CG2-CD1 3.67Å |
| 562 | L | 81.3 | Confident | 84.7 | Confident | 6 Ų | 6 | 70 Ų | 70 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.5 | -16.6 | 176.1 | -67.1 | 170.6 | 0 | 0 | 0 | 114.7 | L558 Q559 Q560 S610 R613 M614 | L558-L562 WeakPolarHBondContact O-CG 3.29Å; L558-L562 PolarHBondContact O-N 3.32Å; L558-L562 VanDerWaalsContact O-N 3.12Å; Q559-L562 PolarHBondContact O-N 3.31Å; Q560-L562 VanDerWaalsContact C-N 3.3Å; Q560-L562 PolarHBondContact O-N 2.83Å; L562-S610 WeakPolarHBondContact CD1-O 3.16Å; L562-R613 HydrophobicContact CD1-CB 4.43Å; L562-R613 HydrophobicContact CD2-CG 4.44Å; L562-R613 PolarHBondContact O-NH2 3.29Å; L562-M614 HydrophobicContact CD2-CB 3.91Å; L562-M614 HydrophobicContact CD2-CG 4.34Å |
| 563 | Q | 82.8 | Confident | 84.4 | Confident | 122 Ų | 122 | 67.4 Ų | 67.4 | 57% | 0.57 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -93 | -22.5 | 173.9 | -62.7 | 173.3 | 24.7 | 0 | 0 | 112.5 | Q559 Q560 V561 E565 S566 | Q559-Q563 WeakPolarHBondContact O-CG 3.39Å; Q559-Q563 PolarHBondContact O-N 2.95Å; Q560-Q563 WeakPolarHBondContact O-CA 3.4Å; Q560-Q563 WeakPolarHBondContact O-CB 3.49Å; Q560-Q563 PolarHBondContact O-N 3.02Å; V561-Q563 PolarHBondContact O-N 3.01Å; Q563-E565 PolarHBondContact O-N 2.99Å; Q563-S566 PolarHBondContact O-OG 3.18Å |
| 564 | M | 81.4 | Confident | 84.1 | Confident | 93 Ų | 93 | 68.7 Ų | 68.7 | 46% | 0.458 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -72.9 | -10 | -178.5 | -71.1 | 176.9 | 70.5 | 0 | 0 | 114 | Q560 V561 S566 H567 F577 | Q560-M564 WeakPolarHBondContact O-CG 3.38Å; Q560-M564 PolarHBondContact O-N 3.4Å; Q560-M564 VanDerWaalsContact O-N 3.13Å; V561-M564 WeakPolarHBondContact O-CB 3.43Å; V561-M564 PolarHBondContact O-N 2.62Å; M564-S566 PolarHBondContact O-N 3.36Å; M564-H567 WeakPolarHBondContact O-CB 3.45Å; M564-H567 PolarHBondContact O-N 3.24Å; M564-F577 HydrophobicContact CB-CE2 4.19Å |
| 565 | E | 74.3 | Confident | 83.7 | Confident | 72 Ų | 72 | 73 Ų | 73 | 34% | 0.336 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -52.1 | -33.8 | 177.2 | -175.6 | 172.8 | -150 | 0 | 0 | 112.8 | Q563 H567 I568 R574 F577 S617 | Q563-E565 PolarHBondContact O-N 2.99Å; E565-H567 PolarHBondContact O-N 3.13Å; E565-H567 VanDerWaalsContact O-N 3.16Å; E565-I568 HydrophobicContact CG-CD1 4.33Å; E565-I568 PolarHBondContact O-N 2.91Å; E565-R574 IonicContact OE1-NH1 2.79Å; E565-F577 HydrophobicContact CB-CZ 4.23Å; E565-S617 WeakPolarHBondContact OE1-CB 3.46Å; E565-S617 WeakPolarHBondContact OE2-CB 3.46Å |
| 566 | S | 74.8 | Confident | 83.5 | Confident | 96 Ų | 96 | 75.6 Ų | 75.6 | 67% | 0.671 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -66.4 | -12.9 | 178 | 64.5 | 0 | 0 | 0 | 0 | 115 | Q563 M564 | Q563-S566 PolarHBondContact O-OG 3.18Å; M564-S566 PolarHBondContact O-N 3.36Å |
| 567 | H | 78.4 | Confident | 83.3 | Confident | 134 Ų | 134 | 71.1 Ų | 71.1 | 62% | 0.62 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -102.3 | -0.5 | -177.7 | -65.1 | -60.8 | 0 | 0 | 0 | 114.1 | M564 E565 Q569 | M564-H567 WeakPolarHBondContact O-CB 3.45Å; M564-H567 PolarHBondContact O-N 3.24Å; E565-H567 PolarHBondContact O-N 3.13Å; E565-H567 VanDerWaalsContact O-N 3.16Å; H567-Q569 PolarHBondContact O-N 3.48Å |
| 568 | I | 81.6 | Confident | 83 | Confident | 47 Ų | 47 | 70.7 Ų | 70.7 | 24% | 0.241 | 37% | 0.365 | C | S | . | . | trans | -71.6 | 114.2 | 178.4 | -59.2 | 174.6 | 0 | 0 | 0 | 109 | E565 D573 R574 F577 | E565-I568 HydrophobicContact CG-CD1 4.33Å; E565-I568 PolarHBondContact O-N 2.91Å; I568-D573 HydrophobicContact CG2-CB 4.19Å; I568-R574 HydrophobicContact CG2-CB 3.9Å; I568-F577 HydrophobicContact CD1-CB 4.19Å; I568-F577 HydrophobicContact CD1-CD1 3.83Å; I568-F577 HydrophobicContact CD1-CD2 4.03Å; I568-F577 HydrophobicContact CD1-CE1 4.17Å; I568-F577 HydrophobicContact CD1-CE2 4.33Å; I568-F577 HydrophobicContact CD1-CG 3.75Å; I568-F577 HydrophobicContact CD1-CZ 4.42Å; I568-F577 HydrophobicContact CG1-CD2 4.46Å; I568-F577 HydrophobicContact CG1-CG 4.44Å | ||
| 569 | Q | 84.9 | Confident | 83 | Confident | 183 Ų | 183 | 73.8 Ų | 73.8 | 86% | 0.855 | 38% | 0.382 | S | S | * | . | trans | -113.7 | -28.5 | -179.7 | -65.5 | -176.7 | 5.5 | 0 | 0 | 112.8 | H567 D573 | H567-Q569 PolarHBondContact O-N 3.48Å; Q569-D573 PolarHBondContact N-OD2 3.06Å | ||
| 570 | S | 86.3 | Confident | 83.1 | Confident | 49 Ų | 49 | 71.6 Ų | 71.6 | 34% | 0.343 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -121.2 | 161.6 | -177.8 | 86.4 | 0 | 0 | 0 | 0 | 112.6 | S572 D573 R574 | S570-S572 PolarHBondContact O-N 2.95Å; S570-S572 WeakPolarHBondContact OG-CB 3.22Å; S570-S572 PolarHBondContact OG-N 3.29Å; S570-D573 PolarHBondContact N-OD2 2.99Å; S570-D573 PolarHBondContact O-N 3.25Å; S570-D573 PolarHBondContact OG-N 3.03Å; S570-D573 PolarHBondContact OG-OD1 3.46Å; S570-D573 PolarHBondContact OG-OD2 3.29Å; S570-R574 PolarHBondContact O-N 3.31Å; S570-R574 VanDerWaalsContact O-N 3.14Å |
| 571 | T | 84 | Confident | 83.1 | Confident | 115 Ų | 115 | 67.1 Ų | 67.1 | 71% | 0.706 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.9 | -34.8 | 171.1 | -49.6 | 0 | 0 | 0 | 0 | 111.5 | D573 R574 I575 | T571-D573 VanDerWaalsContact C-N 3.34Å; T571-R574 WeakPolarHBondContact O-CB 3.36Å; T571-R574 PolarHBondContact O-N 3.42Å; T571-I575 HydrophobicContact CG2-CD1 4.44Å; T571-I575 WeakPolarHBondContact O-CG1 3.01Å; T571-I575 PolarHBondContact O-N 2.98Å |
| 572 | S | 82.2 | Confident | 83.3 | Confident | 66 Ų | 66 | 68.4 Ų | 68.4 | 46% | 0.462 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 175.8 | -172 | 0 | 0 | 0 | 0 | 111.6 | S570 R574 I575 Q576 | S570-S572 PolarHBondContact O-N 2.95Å; S570-S572 WeakPolarHBondContact OG-CB 3.22Å; S570-S572 PolarHBondContact OG-N 3.29Å; S572-R574 VanDerWaalsContact C-N 3.28Å; S572-R574 PolarHBondContact O-N 3.01Å; S572-I575 PolarHBondContact O-N 3.5Å; S572-Q576 WeakPolarHBondContact O-CG 3.11Å; S572-Q576 PolarHBondContact O-N 2.88Å |
| 573 | D | 82.7 | Confident | 83.9 | Confident | 56 Ų | 56 | 68.8 Ų | 68.8 | 30% | 0.299 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64 | -39.1 | 176.8 | -50.4 | -13.7 | 0 | 0 | 0 | 110.1 | I568 Q569 S570 T571 F577 | I568-D573 HydrophobicContact CG2-CB 4.19Å; Q569-D573 PolarHBondContact N-OD2 3.06Å; S570-D573 PolarHBondContact N-OD2 2.99Å; S570-D573 PolarHBondContact O-N 3.25Å; S570-D573 PolarHBondContact OG-N 3.03Å; S570-D573 PolarHBondContact OG-OD1 3.46Å; S570-D573 PolarHBondContact OG-OD2 3.29Å; T571-D573 VanDerWaalsContact C-N 3.34Å; D573-F577 WeakPolarHBondContact O-CB 3.45Å; D573-F577 PolarHBondContact O-N 3.18Å |
| 574 | R | 84.9 | Confident | 84.3 | Confident | 68 Ų | 68 | 63 Ų | 63 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 178.1 | -173.3 | 62.7 | 169.5 | -172.5 | -1.1 | 111.7 | E565 I568 S570 T571 S572 F577 N578 S617 | E565-R574 IonicContact OE1-NH1 2.79Å; I568-R574 HydrophobicContact CG2-CB 3.9Å; S570-R574 PolarHBondContact O-N 3.31Å; S570-R574 VanDerWaalsContact O-N 3.14Å; T571-R574 WeakPolarHBondContact O-CB 3.36Å; T571-R574 PolarHBondContact O-N 3.42Å; S572-R574 VanDerWaalsContact C-N 3.28Å; S572-R574 PolarHBondContact O-N 3.01Å; R574-F577 PolarHBondContact O-N 2.85Å; R574-N578 WeakPolarHBondContact O-CB 3.5Å; R574-N578 PolarHBondContact O-N 2.97Å; R574-N578 PolarHBondContact O-ND2 2.83Å; R574-N578 PolarHBondContact O-OD1 2.85Å; R574-S617 PolarHBondContact NH2-O 2.97Å |
| 575 | I | 83.4 | Confident | 84.8 | Confident | 91 Ų | 91 | 58.6 Ų | 58.6 | 47% | 0.467 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.9 | -54.6 | 176.4 | -66.2 | 166.1 | 0 | 0 | 0 | 109.7 | T571 S572 F577 N578 D579 | T571-I575 HydrophobicContact CG2-CD1 4.44Å; T571-I575 WeakPolarHBondContact O-CG1 3.01Å; T571-I575 PolarHBondContact O-N 2.98Å; S572-I575 PolarHBondContact O-N 3.5Å; I575-F577 PolarHBondContact O-N 2.6Å; I575-F577 VanDerWaalsContact O-N 3.15Å; I575-N578 WeakPolarHBondContact O-CB 3.38Å; I575-N578 PolarHBondContact O-N 3.14Å; I575-D579 PolarHBondContact O-N 3.27Å |
| 576 | Q | 82 | Confident | 85.7 | Confident | 75 Ų | 75 | 56 Ų | 56 | 35% | 0.35 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.2 | -31.9 | -179.4 | -69.7 | -177.6 | 2.3 | 0 | 0 | 113.7 | R525 S572 L580 | R525-Q576 PolarHBondContact NH1-O 2.68Å; R525-Q576 PolarHBondContact NH2-O 2.97Å; S572-Q576 WeakPolarHBondContact O-CG 3.11Å; S572-Q576 PolarHBondContact O-N 2.88Å; Q576-L580 WeakPolarHBondContact O-CB 3.14Å; Q576-L580 PolarHBondContact O-N 2.91Å |
| 577 | F | 85.1 | Confident | 86.5 | Confident | 16 Ų | 16 | 51.5 Ų | 51.5 | 7% | 0.07 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.1 | -48.7 | 173.4 | 175.7 | -92.1 | 0 | 0 | 0 | 111.6 | V561 M564 E565 I568 D573 R574 I575 L580 Q581 | V561-F577 HydrophobicContact CG1-CD2 4.11Å; V561-F577 HydrophobicContact CG1-CE2 3.68Å; V561-F577 HydrophobicContact CG1-CZ 4.07Å; V561-F577 WeakPolarHBondContact O-CE2 3.18Å; M564-F577 HydrophobicContact CB-CE2 4.19Å; E565-F577 HydrophobicContact CB-CZ 4.23Å; I568-F577 HydrophobicContact CD1-CB 4.19Å; I568-F577 HydrophobicContact CD1-CD1 3.83Å; I568-F577 HydrophobicContact CD1-CD2 4.03Å; I568-F577 HydrophobicContact CD1-CE1 4.17Å; I568-F577 HydrophobicContact CD1-CE2 4.33Å; I568-F577 HydrophobicContact CD1-CG 3.75Å; I568-F577 HydrophobicContact CD1-CZ 4.42Å; I568-F577 HydrophobicContact CG1-CD2 4.46Å; I568-F577 HydrophobicContact CG1-CG 4.44Å; D573-F577 WeakPolarHBondContact O-CB 3.45Å; D573-F577 PolarHBondContact O-N 3.18Å; R574-F577 PolarHBondContact O-N 2.85Å; I575-F577 PolarHBondContact O-N 2.6Å; I575-F577 VanDerWaalsContact O-N 3.15Å; F577-L580 PolarHBondContact O-N 3.3Å; F577-Q581 HydrophobicContact CD1-CG 4.46Å; F577-Q581 HydrophobicContact CE1-CG 4.13Å; F577-Q581 VanDerWaalsContact CE1-OE1 3.22Å; F577-Q581 HydrophobicContact CZ-CG 4.38Å; F577-Q581 WeakPolarHBondContact O-CG 3.22Å; F577-Q581 PolarHBondContact O-N 3.04Å |
| 578 | N | 86.7 | Confident | 87.1 | Confident | 17 Ų | 17 | 45.1 Ų | 45.1 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.3 | -44.6 | 177.5 | -69.6 | -14.6 | 0 | 0 | 0 | 110.9 | R574 I575 L580 Q581 S582 S621 V624 | R574-N578 WeakPolarHBondContact O-CB 3.5Å; R574-N578 PolarHBondContact O-N 2.97Å; R574-N578 PolarHBondContact O-ND2 2.83Å; R574-N578 PolarHBondContact O-OD1 2.85Å; I575-N578 WeakPolarHBondContact O-CB 3.38Å; I575-N578 PolarHBondContact O-N 3.14Å; N578-L580 VanDerWaalsContact C-N 3.28Å; N578-L580 PolarHBondContact O-N 3.34Å; N578-Q581 WeakPolarHBondContact O-CB 3.25Å; N578-Q581 PolarHBondContact O-N 3.1Å; N578-Q581 VanDerWaalsContact O-N 3.11Å; N578-S582 PolarHBondContact O-N 3.08Å; N578-S621 WeakPolarHBondContact ND2-CB 3.45Å; N578-S621 PolarHBondContact ND2-OG 2.89Å; N578-V624 HydrophobicContact CB-CG2 3.62Å; N578-V624 WeakPolarHBondContact O-CG2 3.38Å |
| 579 | D | 86 | Confident | 87.6 | Confident | 69 Ų | 69 | 43.5 Ų | 43.5 | 37% | 0.369 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.5 | -41 | 177.2 | -58.2 | -17.9 | 0 | 0 | 0 | 111.2 | I575 Q581 S582 L583 | I575-D579 PolarHBondContact O-N 3.27Å; D579-Q581 VanDerWaalsContact C-N 3.34Å; D579-Q581 PolarHBondContact O-N 3.44Å; D579-S582 WeakPolarHBondContact O-CB 3.46Å; D579-S582 PolarHBondContact O-N 3.21Å; D579-L583 WeakPolarHBondContact O-CB 3.42Å; D579-L583 VanDerWaalsContact O-CG 3.24Å; D579-L583 WeakPolarHBondContact O-CG 3.39Å; D579-L583 PolarHBondContact O-N 3.18Å |
| 580 | L | 88.3 | Confident | 87.9 | Confident | 30 Ų | 30 | 36.1 Ų | 36.1 | 16% | 0.157 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.1 | -36.4 | 177.7 | -173.4 | 58.5 | 0 | 0 | 0 | 112.2 | Y529 V561 Q576 F577 N578 L584 | Y529-L580 HydrophobicContact CE2-CD1 3.82Å; V561-L580 HydrophobicContact CG2-CD2 3.46Å; V561-L580 VanDerWaalsContact CG2-CD2 3.46Å; V561-L580 HydrophobicContact CG2-CG 3.87Å; Q576-L580 WeakPolarHBondContact O-CB 3.14Å; Q576-L580 PolarHBondContact O-N 2.91Å; F577-L580 PolarHBondContact O-N 3.3Å; N578-L580 VanDerWaalsContact C-N 3.28Å; N578-L580 PolarHBondContact O-N 3.34Å; L580-L584 HydrophobicContact CD1-CD1 4.25Å; L580-L584 HydrophobicContact CD1-CG 4.32Å; L580-L584 HydrophobicContact CG-CD1 4.06Å; L580-L584 WeakPolarHBondContact O-CB 3.1Å; L580-L584 WeakPolarHBondContact O-CD1 3.35Å; L580-L584 VanDerWaalsContact O-CG 3.24Å; L580-L584 WeakPolarHBondContact O-CG 3.09Å; L580-L584 PolarHBondContact O-N 2.84Å |
| 581 | Q | 88.6 | Confident | 88 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.5 | -46.3 | 173.7 | -71.5 | -172.2 | -51.5 | 0 | 0 | 111.3 | V561 F577 N578 D579 L584 C585 M614 T618 V624 | V561-Q581 HydrophobicContact CG1-CG 3.55Å; F577-Q581 HydrophobicContact CD1-CG 4.46Å; F577-Q581 HydrophobicContact CE1-CG 4.13Å; F577-Q581 VanDerWaalsContact CE1-OE1 3.22Å; F577-Q581 HydrophobicContact CZ-CG 4.38Å; F577-Q581 WeakPolarHBondContact O-CG 3.22Å; F577-Q581 PolarHBondContact O-N 3.04Å; N578-Q581 WeakPolarHBondContact O-CB 3.25Å; N578-Q581 PolarHBondContact O-N 3.1Å; N578-Q581 VanDerWaalsContact O-N 3.11Å; D579-Q581 VanDerWaalsContact C-N 3.34Å; D579-Q581 PolarHBondContact O-N 3.44Å; Q581-L584 PolarHBondContact O-N 3.34Å; Q581-C585 WeakPolarHBondContact O-CB 3.33Å; Q581-C585 PolarHBondContact O-N 3.26Å; Q581-C585 PolarHBondContact O-SG 3.16Å; Q581-M614 HydrophobicContact CB-SD 3.94Å; Q581-M614 HydrophobicContact CG-SD 4.23Å; Q581-T618 PolarHBondContact OE1-OG1 3.32Å; Q581-V624 HydrophobicContact CB-CG1 3.86Å; Q581-V624 HydrophobicContact CB-CG2 4.35Å |
| 582 | S | 90.6 | Very high | 88.3 | Confident | 32 Ų | 32 | 28.4 Ų | 28.4 | 22% | 0.224 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.2 | -55.2 | 175.4 | 165 | 0 | 0 | 0 | 0 | 111.1 | N578 D579 L584 C585 A586 D627 | N578-S582 PolarHBondContact O-N 3.08Å; D579-S582 WeakPolarHBondContact O-CB 3.46Å; D579-S582 PolarHBondContact O-N 3.21Å; S582-L584 VanDerWaalsContact C-N 3.33Å; S582-L584 PolarHBondContact O-N 2.86Å; S582-C585 PolarHBondContact O-N 2.94Å; S582-A586 PolarHBondContact O-N 3.11Å; S582-D627 WeakPolarHBondContact CB-OD2 3.37Å; S582-D627 PolarHBondContact OG-OD2 3.49Å |
| 583 | L | 92.4 | Very high | 88.6 | Confident | 14 Ų | 14 | 32 Ų | 32 | 7% | 0.073 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.5 | -40.9 | 179.8 | -68.8 | 168.7 | 0 | 0 | 0 | 113 | R525 Y529 D579 T587 | R525-L583 HydrophobicContact CG-CD1 4.29Å; Y529-L583 HydrophobicContact CD2-CB 3.87Å; Y529-L583 HydrophobicContact CD2-CD1 3.87Å; Y529-L583 HydrophobicContact CD2-CG 4.37Å; Y529-L583 HydrophobicContact CE2-CB 4.42Å; Y529-L583 HydrophobicContact CG-CB 4.06Å; D579-L583 WeakPolarHBondContact O-CB 3.42Å; D579-L583 VanDerWaalsContact O-CG 3.24Å; D579-L583 WeakPolarHBondContact O-CG 3.39Å; D579-L583 PolarHBondContact O-N 3.18Å; L583-T587 WeakPolarHBondContact O-CB 3.4Å; L583-T587 PolarHBondContact O-N 3.43Å; L583-T587 PolarHBondContact O-OG1 2.83Å |
| 584 | L | 92.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.2 | -35.3 | 176.8 | -73.3 | 170 | 0 | 0 | 0 | 112.2 | Y529 I554 R557 L558 V561 L580 Q581 S582 T587 L588 | Y529-L584 HydrophobicContact CE1-CD2 3.86Å; I554-L584 HydrophobicContact CD1-CD2 4.3Å; I554-L584 HydrophobicContact CG2-CD2 4.24Å; R557-L584 HydrophobicContact CB-CD1 4.26Å; R557-L584 HydrophobicContact CB-CD2 3.92Å; L558-L584 HydrophobicContact CD1-CB 4.19Å; V561-L584 HydrophobicContact CB-CD1 4.34Å; V561-L584 HydrophobicContact CG2-CD1 3.67Å; L580-L584 HydrophobicContact CD1-CD1 4.25Å; L580-L584 HydrophobicContact CD1-CG 4.32Å; L580-L584 HydrophobicContact CG-CD1 4.06Å; L580-L584 WeakPolarHBondContact O-CB 3.1Å; L580-L584 WeakPolarHBondContact O-CD1 3.35Å; L580-L584 VanDerWaalsContact O-CG 3.24Å; L580-L584 WeakPolarHBondContact O-CG 3.09Å; L580-L584 PolarHBondContact O-N 2.84Å; Q581-L584 PolarHBondContact O-N 3.34Å; S582-L584 VanDerWaalsContact C-N 3.33Å; S582-L584 PolarHBondContact O-N 2.86Å; L584-T587 PolarHBondContact O-N 2.84Å; L584-L588 VanDerWaalsContact O-CB 3.28Å; L584-L588 WeakPolarHBondContact O-CB 3.48Å; L584-L588 PolarHBondContact O-N 3.46Å |
| 585 | C | 91.3 | Very high | 89 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.8 | -44.7 | 175.6 | -69.6 | 0 | 0 | 0 | 0 | 111.5 | Q581 S582 T587 L588 Q589 M614 D627 A631 | Q581-C585 WeakPolarHBondContact O-CB 3.33Å; Q581-C585 PolarHBondContact O-N 3.26Å; Q581-C585 PolarHBondContact O-SG 3.16Å; S582-C585 PolarHBondContact O-N 2.94Å; C585-T587 VanDerWaalsContact C-N 3.29Å; C585-T587 PolarHBondContact O-N 2.91Å; C585-L588 WeakPolarHBondContact O-CA 3.24Å; C585-L588 WeakPolarHBondContact O-CB 3.48Å; C585-L588 PolarHBondContact O-N 3.36Å; C585-L588 VanDerWaalsContact O-N 3.11Å; C585-Q589 WeakPolarHBondContact O-CG 3.36Å; C585-Q589 PolarHBondContact O-N 3.35Å; C585-M614 WeakPolarHBondContact SG-CE 3.49Å; C585-D627 HydrophobicContact CB-CB 3.96Å; C585-A631 HydrophobicContact CB-CB 4.28Å |
| 586 | A | 92.4 | Very high | 89.2 | Confident | 18 Ų | 18 | 28.9 Ų | 28.9 | 15% | 0.149 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.1 | -41.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | M533 S582 L588 Q589 N590 | M533-A586 HydrophobicContact CE-CB 4.14Å; M533-A586 HydrophobicContact SD-CB 3.67Å; M533-A586 VanDerWaalsContact SD-O 3.36Å; S582-A586 PolarHBondContact O-N 3.11Å; A586-L588 VanDerWaalsContact C-N 3.3Å; A586-L588 PolarHBondContact O-N 3.48Å; A586-Q589 WeakPolarHBondContact O-CB 3.28Å; A586-Q589 PolarHBondContact O-N 3.07Å; A586-N590 PolarHBondContact O-N 3.44Å; A586-N590 PolarHBondContact O-ND2 2.69Å |
| 587 | T | 93.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.2 | -39.1 | 175.1 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | Y529 L532 M533 I554 L583 L584 C585 Q589 N590 V591 | Y529-T587 WeakPolarHBondContact CD1-OG1 3.46Å; L532-T587 HydrophobicContact CD2-CG2 4.39Å; M533-T587 HydrophobicContact CG-CG2 4.15Å; M533-T587 VanDerWaalsContact SD-CA 3.59Å; M533-T587 PolarHBondContact SD-N 2.92Å; M533-T587 VanDerWaalsContact SD-N 3.35Å; I554-T587 HydrophobicContact CD1-CG2 3.72Å; I554-T587 HydrophobicContact CG1-CG2 3.82Å; I554-T587 HydrophobicContact CG2-CG2 4.26Å; L583-T587 WeakPolarHBondContact O-CB 3.4Å; L583-T587 PolarHBondContact O-N 3.43Å; L583-T587 PolarHBondContact O-OG1 2.83Å; L584-T587 PolarHBondContact O-N 2.84Å; C585-T587 VanDerWaalsContact C-N 3.29Å; C585-T587 PolarHBondContact O-N 2.91Å; T587-Q589 VanDerWaalsContact C-N 3.32Å; T587-Q589 PolarHBondContact O-N 3.37Å; T587-N590 PolarHBondContact O-N 2.91Å; T587-V591 HydrophobicContact CG2-CG1 4.4Å; T587-V591 WeakPolarHBondContact O-CG1 3.34Å; T587-V591 PolarHBondContact O-N 3.22Å |
| 588 | L | 90.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.1 | -38.3 | 177.4 | -169.4 | 61.6 | 0 | 0 | 0 | 112 | L558 L584 C585 A586 N590 V591 L592 V607 | L558-L588 HydrophobicContact CD2-CD2 4.09Å; L584-L588 VanDerWaalsContact O-CB 3.28Å; L584-L588 WeakPolarHBondContact O-CB 3.48Å; L584-L588 PolarHBondContact O-N 3.46Å; C585-L588 WeakPolarHBondContact O-CA 3.24Å; C585-L588 WeakPolarHBondContact O-CB 3.48Å; C585-L588 PolarHBondContact O-N 3.36Å; C585-L588 VanDerWaalsContact O-N 3.11Å; A586-L588 VanDerWaalsContact C-N 3.3Å; A586-L588 PolarHBondContact O-N 3.48Å; L588-N590 PolarHBondContact O-N 3.05Å; L588-V591 HydrophobicContact CD1-CG2 3.87Å; L588-V591 VanDerWaalsContact O-CG2 3.31Å; L588-V591 WeakPolarHBondContact O-CG2 3.48Å; L588-L592 HydrophobicContact CD1-CD1 4.38Å; L588-L592 HydrophobicContact CD1-CG 4.2Å; L588-L592 HydrophobicContact CG-CD1 3.9Å; L588-L592 HydrophobicContact CG-CG 4.19Å; L588-L592 VanDerWaalsContact O-CB 3.23Å; L588-L592 WeakPolarHBondContact O-CB 3.25Å; L588-L592 WeakPolarHBondContact O-CG 3.5Å; L588-L592 PolarHBondContact O-N 3.38Å; L588-V607 HydrophobicContact CD1-CG2 4.21Å; L588-V607 HydrophobicContact CD2-CG1 3.62Å; L588-V607 HydrophobicContact CD2-CG2 4.2Å |
| 589 | Q | 91.1 | Very high | 89.6 | Confident | 13 Ų | 13 | 36.1 Ų | 36.1 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.4 | -49 | 174 | -66.1 | 170.4 | 49.7 | 0 | 0 | 110.9 | C585 A586 T587 L592 R593 A631 T634 | C585-Q589 WeakPolarHBondContact O-CG 3.36Å; C585-Q589 PolarHBondContact O-N 3.35Å; A586-Q589 WeakPolarHBondContact O-CB 3.28Å; A586-Q589 PolarHBondContact O-N 3.07Å; T587-Q589 VanDerWaalsContact C-N 3.32Å; T587-Q589 PolarHBondContact O-N 3.37Å; Q589-L592 PolarHBondContact O-N 2.95Å; Q589-R593 PolarHBondContact O-N 3.18Å; Q589-A631 HydrophobicContact CG-CB 4.09Å; Q589-T634 HydrophobicContact CB-CG2 4.42Å; Q589-T634 WeakPolarHBondContact O-CG2 3.45Å |
| 590 | N | 90.4 | Very high | 89.6 | Confident | 29 Ų | 29 | 32.9 Ų | 32.9 | 16% | 0.155 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.7 | -42.8 | -178 | -75.2 | -73.5 | 0 | 0 | 0 | 113.1 | M533 A586 T587 L588 L592 R593 | M533-N590 HydrophobicContact CB-CB 4.19Å; M533-N590 HydrophobicContact CG-CB 4.21Å; M533-N590 PolarHBondContact SD-ND2 3.5Å; A586-N590 PolarHBondContact O-N 3.44Å; A586-N590 PolarHBondContact O-ND2 2.69Å; T587-N590 PolarHBondContact O-N 2.91Å; L588-N590 PolarHBondContact O-N 3.05Å; N590-L592 VanDerWaalsContact C-N 3.35Å; N590-L592 PolarHBondContact O-N 3.16Å; N590-R593 PolarHBondContact O-N 3.23Å |
| 591 | V | 90.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.9 | -35.8 | 176.4 | -54.8 | 0 | 0 | 0 | 0 | 111.7 | V536 T551 T587 L588 R593 K594 V595 | V536-V591 HydrophobicContact CG1-CG1 4.2Å; T551-V591 HydrophobicContact CG2-CB 4.49Å; T551-V591 HydrophobicContact CG2-CG2 4.05Å; T587-V591 HydrophobicContact CG2-CG1 4.4Å; T587-V591 WeakPolarHBondContact O-CG1 3.34Å; T587-V591 PolarHBondContact O-N 3.22Å; L588-V591 HydrophobicContact CD1-CG2 3.87Å; L588-V591 VanDerWaalsContact O-CG2 3.31Å; L588-V591 WeakPolarHBondContact O-CG2 3.48Å; V591-R593 VanDerWaalsContact C-N 3.32Å; V591-R593 PolarHBondContact O-N 2.94Å; V591-K594 PolarHBondContact O-N 3.17Å; V591-K594 VanDerWaalsContact O-N 3.11Å; V591-V595 WeakPolarHBondContact O-CG1 3.32Å; V591-V595 PolarHBondContact O-N 3.04Å; V591-V595 VanDerWaalsContact O-N 3.08Å |
| 592 | L | 88.4 | Confident | 89.6 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.4 | -36.7 | 180 | -79.2 | 175.1 | 0 | 0 | 0 | 112.1 | L588 Q589 N590 K594 V595 I603 T634 L635 V638 | L588-L592 HydrophobicContact CD1-CD1 4.38Å; L588-L592 HydrophobicContact CD1-CG 4.2Å; L588-L592 HydrophobicContact CG-CD1 3.9Å; L588-L592 HydrophobicContact CG-CG 4.19Å; L588-L592 VanDerWaalsContact O-CB 3.23Å; L588-L592 WeakPolarHBondContact O-CB 3.25Å; L588-L592 WeakPolarHBondContact O-CG 3.5Å; L588-L592 PolarHBondContact O-N 3.38Å; Q589-L592 PolarHBondContact O-N 2.95Å; N590-L592 VanDerWaalsContact C-N 3.35Å; N590-L592 PolarHBondContact O-N 3.16Å; L592-K594 PolarHBondContact O-N 2.97Å; L592-V595 HydrophobicContact CD2-CG2 4.38Å; L592-V595 VanDerWaalsContact O-CG2 3.24Å; L592-V595 WeakPolarHBondContact O-CG2 3.5Å; L592-I603 HydrophobicContact CD2-CD1 3.85Å; L592-T634 HydrophobicContact CB-CG2 3.86Å; L592-L635 HydrophobicContact CD1-CB 4.19Å; L592-L635 HydrophobicContact CD1-CD1 4.1Å; L592-L635 HydrophobicContact CD2-CD1 4.06Å; L592-V638 HydrophobicContact CB-CG2 4.47Å; L592-V638 WeakPolarHBondContact O-CG2 3.49Å |
| 593 | R | 89.3 | Confident | 89.5 | Confident | 141 Ų | 141 | 40.1 Ų | 40.1 | 53% | 0.532 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.4 | -21.5 | 175.2 | -70.5 | 179.9 | 179.5 | 150.2 | 1.3 | 113.5 | Q589 N590 V591 T634 E637 | Q589-R593 PolarHBondContact O-N 3.18Å; N590-R593 PolarHBondContact O-N 3.23Å; V591-R593 VanDerWaalsContact C-N 3.32Å; V591-R593 PolarHBondContact O-N 2.94Å; R593-T634 HydrophobicContact CG-CG2 3.67Å; R593-E637 IonicContact NE-OE2 2.6Å |
| 594 | K | 89.1 | Confident | 89.3 | Confident | 26 Ų | 26 | 39.5 Ų | 39.5 | 11% | 0.113 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -100.1 | -18.2 | -177.3 | -157.1 | 63.7 | 172 | -175.7 | 0 | 114.2 | E493 V536 S539 V547 V591 L592 | E493-K594 IonicContact OE1-NZ 3.91Å; E493-K594 PolarHBondContact OE1-NZ 2.81Å; E493-K594 IonicContact OE2-NZ 3.67Å; E493-K594 PolarHBondContact OE2-NZ 2.87Å; V536-K594 HydrophobicContact CG1-CB 4.43Å; S539-K594 VanDerWaalsContact O-CE 3.29Å; S539-K594 WeakPolarHBondContact O-CE 3.4Å; S539-K594 PolarHBondContact O-NZ 2.84Å; S539-K594 VanDerWaalsContact O-NZ 3.07Å; S539-K594 WeakPolarHBondContact OG-CE 3.44Å; V547-K594 HydrophobicContact CG1-CB 4.39Å; V547-K594 HydrophobicContact CG1-CG 4.33Å; V591-K594 PolarHBondContact O-N 3.17Å; V591-K594 VanDerWaalsContact O-N 3.11Å; L592-K594 PolarHBondContact O-N 2.97Å |
| 595 | V | 86.7 | Confident | 89.3 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -74 | 143.8 | 177.5 | -68.6 | 0 | 0 | 0 | 0 | 111.4 | T551 V591 L592 A600 I603 | T551-V595 HydrophobicContact CG2-CG1 4.32Å; V591-V595 WeakPolarHBondContact O-CG1 3.32Å; V591-V595 PolarHBondContact O-N 3.04Å; V591-V595 VanDerWaalsContact O-N 3.08Å; L592-V595 HydrophobicContact CD2-CG2 4.38Å; L592-V595 VanDerWaalsContact O-CG2 3.24Å; L592-V595 WeakPolarHBondContact O-CG2 3.5Å; V595-A600 HydrophobicContact CG2-CB 4Å; V595-I603 HydrophobicContact CG2-CD1 4.49Å |
| 596 | Q | 87.3 | Confident | 89.2 | Confident | 108 Ų | 108 | 46.1 Ų | 46.1 | 51% | 0.505 | 22% | 0.223 | S | C | . | . | trans | -62.9 | 145.3 | 170.8 | -66.4 | 175.1 | 17.3 | 0 | 0 | 109.8 | Y544 Q598 D599 A600 | Y544-Q596 HydrophobicContact CE1-CG 4.21Å; Y544-Q596 HydrophobicContact CE2-CG 4.06Å; Y544-Q596 WeakPolarHBondContact OH-CB 3.15Å; Y544-Q596 WeakPolarHBondContact OH-CG 3.31Å; Y544-Q596 PolarHBondContact OH-N 2.94Å; Q596-Q598 PolarHBondContact O-N 2.83Å; Q596-D599 PolarHBondContact O-N 3.45Å; Q596-A600 PolarHBondContact O-N 2.56Å | ||
| 597 | H | 87.4 | Confident | 89 | Confident | 90 Ų | 90 | 45.3 Ų | 45.3 | 42% | 0.417 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -52.5 | -34.7 | -179.3 | -177.5 | 77.9 | 0 | 0 | 0 | 113.4 | D599 A600 L601 V638 D642 | H597-D599 PolarHBondContact O-N 3.32Å; H597-A600 WeakPolarHBondContact O-CB 3.28Å; H597-A600 PolarHBondContact O-N 3.45Å; H597-L601 WeakPolarHBondContact O-CG 3.42Å; H597-L601 PolarHBondContact O-N 3.23Å; H597-V638 PolarHBondContact CE1-O 3.19Å; H597-V638 PolarHBondContact ND1-O 3.43Å; H597-D642 IonicContact NE2-OD2 3.65Å |
| 598 | Q | 88.1 | Confident | 89 | Confident | 140 Ų | 140 | 45.3 Ų | 45.3 | 65% | 0.654 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -65.9 | -35.1 | 176.6 | -65.4 | -178.2 | 8.9 | 0 | 0 | 113.7 | Q596 Q602 | Q596-Q598 PolarHBondContact O-N 2.83Å; Q598-Q602 WeakPolarHBondContact O-CG 3.21Å; Q598-Q602 PolarHBondContact O-NE2 3.32Å; Q598-Q602 VanDerWaalsContact O-NE2 3.08Å |
| 599 | D | 87.6 | Confident | 89 | Confident | 31 Ų | 31 | 48.1 Ų | 48.1 | 17% | 0.166 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -78.6 | -38.2 | 177 | -68.1 | -27.9 | 0 | 0 | 0 | 110.1 | Y544 Q548 Q596 H597 L601 Q602 I603 | Y544-D599 PolarHBondContact OH-OD2 3.25Å; Q548-D599 PolarHBondContact NE2-OD2 3.32Å; Q596-D599 PolarHBondContact O-N 3.45Å; H597-D599 PolarHBondContact O-N 3.32Å; D599-L601 VanDerWaalsContact C-N 3.29Å; D599-L601 PolarHBondContact O-N 3.41Å; D599-Q602 WeakPolarHBondContact O-CB 3.22Å; D599-Q602 PolarHBondContact O-N 2.98Å; D599-I603 WeakPolarHBondContact O-CG1 3.3Å; D599-I603 PolarHBondContact O-N 2.72Å; D599-I603 VanDerWaalsContact O-N 3.1Å |
| 600 | A | 86.4 | Confident | 88.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.3 | -43.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V595 Q596 H597 Q602 I603 S604 V638 | V595-A600 HydrophobicContact CG2-CB 4Å; Q596-A600 PolarHBondContact O-N 2.56Å; H597-A600 WeakPolarHBondContact O-CB 3.28Å; H597-A600 PolarHBondContact O-N 3.45Å; A600-Q602 VanDerWaalsContact C-N 3.28Å; A600-Q602 PolarHBondContact O-N 3.35Å; A600-I603 WeakPolarHBondContact O-CG1 3.22Å; A600-I603 PolarHBondContact O-N 2.58Å; A600-S604 WeakPolarHBondContact O-CA 3.41Å; A600-S604 WeakPolarHBondContact O-CB 3.46Å; A600-S604 PolarHBondContact O-N 2.98Å; A600-V638 HydrophobicContact CB-CG1 3.29Å |
| 601 | L | 88.6 | Confident | 88.8 | Confident | 59 Ų | 59 | 46.7 Ų | 46.7 | 31% | 0.309 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.3 | -39.4 | 175.6 | -74.7 | 169.3 | 0 | 0 | 0 | 112.4 | H597 D599 S604 L639 D642 | H597-L601 WeakPolarHBondContact O-CG 3.42Å; H597-L601 PolarHBondContact O-N 3.23Å; D599-L601 VanDerWaalsContact C-N 3.29Å; D599-L601 PolarHBondContact O-N 3.41Å; L601-S604 PolarHBondContact O-OG 2.89Å; L601-L639 HydrophobicContact CD2-CD2 3.81Å; L601-L639 HydrophobicContact CG-CD2 4.37Å; L601-D642 HydrophobicContact CD2-CB 4.05Å |
| 602 | Q | 88.3 | Confident | 88.8 | Confident | 137 Ų | 137 | 47.9 Ų | 47.9 | 64% | 0.64 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -72.3 | -34.2 | -179.1 | -67.1 | 169.5 | 56.1 | 0 | 0 | 113.1 | Q598 D599 A600 | Q598-Q602 WeakPolarHBondContact O-CG 3.21Å; Q598-Q602 PolarHBondContact O-NE2 3.32Å; Q598-Q602 VanDerWaalsContact O-NE2 3.08Å; D599-Q602 WeakPolarHBondContact O-CB 3.22Å; D599-Q602 PolarHBondContact O-N 2.98Å; A600-Q602 VanDerWaalsContact C-N 3.28Å; A600-Q602 PolarHBondContact O-N 3.35Å |
| 603 | I | 87.6 | Confident | 88.7 | Confident | 19 Ų | 19 | 53.4 Ų | 53.4 | 10% | 0.097 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -91.1 | -20.2 | -178.8 | 66.4 | 178.7 | 0 | 0 | 0 | 113.1 | T551 M555 L592 V595 D599 A600 D605 V606 V607 | T551-I603 HydrophobicContact CG2-CD1 3.85Å; M555-I603 HydrophobicContact CE-CB 4.02Å; M555-I603 HydrophobicContact CE-CG2 4.14Å; M555-I603 HydrophobicContact SD-CB 3.72Å; M555-I603 HydrophobicContact SD-CD1 4.37Å; M555-I603 HydrophobicContact SD-CG2 3.72Å; L592-I603 HydrophobicContact CD2-CD1 3.85Å; V595-I603 HydrophobicContact CG2-CD1 4.49Å; D599-I603 WeakPolarHBondContact O-CG1 3.3Å; D599-I603 PolarHBondContact O-N 2.72Å; D599-I603 VanDerWaalsContact O-N 3.1Å; A600-I603 WeakPolarHBondContact O-CG1 3.22Å; A600-I603 PolarHBondContact O-N 2.58Å; I603-D605 VanDerWaalsContact C-N 3.32Å; I603-D605 PolarHBondContact O-N 3.02Å; I603-V606 PolarHBondContact O-N 2.87Å; I603-V606 VanDerWaalsContact O-N 3.08Å; I603-V607 PolarHBondContact O-N 3.06Å |
| 604 | S | 89.4 | Confident | 88.5 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.1 | -41.4 | -172.3 | 62.3 | 0 | 0 | 0 | 0 | 114.2 | A600 L601 V606 V607 M608 Y646 | A600-S604 WeakPolarHBondContact O-CA 3.41Å; A600-S604 WeakPolarHBondContact O-CB 3.46Å; A600-S604 PolarHBondContact O-N 2.98Å; L601-S604 PolarHBondContact O-OG 2.89Å; S604-V606 VanDerWaalsContact C-N 3.3Å; S604-V606 PolarHBondContact O-N 2.94Å; S604-V607 PolarHBondContact O-N 3.29Å; S604-M608 WeakPolarHBondContact O-CB 3.48Å; S604-M608 PolarHBondContact O-N 2.97Å; S604-Y646 VanDerWaalsContact CB-OH 3.3Å; S604-Y646 WeakPolarHBondContact CB-OH 3.42Å; S604-Y646 PolarHBondContact O-OH 2.99Å; S604-Y646 PolarHBondContact OG-OH 3.06Å |
| 605 | D | 91.1 | Very high | 88.3 | Confident | 85 Ų | 85 | 46.4 Ų | 46.4 | 46% | 0.455 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.6 | -38.9 | -178.3 | -70.4 | -44.2 | 0 | 0 | 0 | 111 | I603 A609 K645 Y646 | I603-D605 VanDerWaalsContact C-N 3.32Å; I603-D605 PolarHBondContact O-N 3.02Å; D605-A609 VanDerWaalsContact O-CB 3.29Å; D605-A609 WeakPolarHBondContact O-CB 3.48Å; D605-A609 PolarHBondContact O-N 2.95Å; D605-K645 IonicContact OD1-NZ 2.73Å; D605-K645 PolarHBondContact OD1-NZ 3.35Å; D605-K645 IonicContact OD2-NZ 3.54Å; D605-Y646 VanDerWaalsContact CA-OH 3.27Å; D605-Y646 WeakPolarHBondContact CA-OH 3.4Å; D605-Y646 PolarHBondContact N-OH 2.98Å; D605-Y646 WeakPolarHBondContact OD1-CE1 3.17Å; D605-Y646 PolarHBondContact OD1-OH 3.24Å |
| 606 | V | 89 | Confident | 88 | Confident | 54 Ų | 54 | 52 Ų | 52 | 33% | 0.327 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -72.2 | -43.3 | 179.9 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | M555 I603 S604 S610 | M555-V606 HydrophobicContact CE-CB 3.8Å; M555-V606 HydrophobicContact CE-CG1 3.59Å; M555-V606 HydrophobicContact CE-CG2 4.46Å; I603-V606 PolarHBondContact O-N 2.87Å; I603-V606 VanDerWaalsContact O-N 3.08Å; S604-V606 VanDerWaalsContact C-N 3.3Å; S604-V606 PolarHBondContact O-N 2.94Å; V606-S610 WeakPolarHBondContact O-CB 3.33Å; V606-S610 PolarHBondContact O-N 3.24Å; V606-S610 VanDerWaalsContact O-N 3.08Å; V606-S610 PolarHBondContact O-OG 2.8Å |
| 607 | V | 89.1 | Confident | 87.3 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.8 | -51.9 | 175.9 | 167.4 | 0 | 0 | 0 | 0 | 109.9 | M555 L588 I603 S604 A609 S610 L611 L635 | M555-V607 HydrophobicContact CG-CG2 4.44Å; M555-V607 HydrophobicContact SD-CG2 4.49Å; L588-V607 HydrophobicContact CD1-CG2 4.21Å; L588-V607 HydrophobicContact CD2-CG1 3.62Å; L588-V607 HydrophobicContact CD2-CG2 4.2Å; I603-V607 PolarHBondContact O-N 3.06Å; S604-V607 PolarHBondContact O-N 3.29Å; V607-A609 VanDerWaalsContact C-N 3.34Å; V607-A609 PolarHBondContact O-N 3.04Å; V607-S610 WeakPolarHBondContact O-CA 3.41Å; V607-S610 WeakPolarHBondContact O-CB 3.39Å; V607-S610 PolarHBondContact O-N 3.19Å; V607-L611 HydrophobicContact CG1-CD1 3.73Å; V607-L611 HydrophobicContact CG1-CG 4.17Å; V607-L611 WeakPolarHBondContact O-CG 3.2Å; V607-L611 PolarHBondContact O-N 3.28Å; V607-L635 HydrophobicContact CG1-CD2 4.08Å |
| 608 | M | 92.6 | Very high | 86.3 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63 | -41.3 | -177.3 | -164.9 | 66.5 | -160.4 | 0 | 0 | 111.7 | S604 S610 L611 L612 V632 L635 F643 Y646 F650 | S604-M608 WeakPolarHBondContact O-CB 3.48Å; S604-M608 PolarHBondContact O-N 2.97Å; M608-S610 PolarHBondContact O-N 2.88Å; M608-L611 PolarHBondContact O-N 2.95Å; M608-L612 HydrophobicContact CE-CD1 4.27Å; M608-L612 HydrophobicContact CE-CD2 3.71Å; M608-L612 HydrophobicContact CE-CG 3.81Å; M608-L612 HydrophobicContact CG-CD1 4.07Å; M608-L612 HydrophobicContact CG-CG 4.27Å; M608-L612 WeakPolarHBondContact O-CB 3.12Å; M608-L612 WeakPolarHBondContact O-CG 3.12Å; M608-L612 PolarHBondContact O-N 3.36Å; M608-V632 HydrophobicContact CE-CG1 4.49Å; M608-V632 HydrophobicContact CE-CG2 4.25Å; M608-V632 HydrophobicContact SD-CG2 4.36Å; M608-L635 HydrophobicContact CB-CD2 4.36Å; M608-L635 HydrophobicContact SD-CD2 4.21Å; M608-F643 HydrophobicContact CE-CZ 4.27Å; M608-F643 HydrophobicContact SD-CE2 4.05Å; M608-F643 HydrophobicContact SD-CZ 4.3Å; M608-Y646 HydrophobicContact CB-CD1 4.06Å; M608-Y646 HydrophobicContact CB-CE1 3.93Å; M608-Y646 HydrophobicContact CB-CE2 4.48Å; M608-Y646 HydrophobicContact CB-CG 4.39Å; M608-Y646 HydrophobicContact CG-CD1 3.73Å; M608-Y646 HydrophobicContact CG-CD2 4.28Å; M608-Y646 HydrophobicContact CG-CE1 4.14Å; M608-Y646 HydrophobicContact CG-CG 3.8Å; M608-F650 HydrophobicContact CE-CB 3.76Å; M608-F650 HydrophobicContact CE-CD2 3.37Å; M608-F650 HydrophobicContact CE-CE2 4.18Å; M608-F650 HydrophobicContact CE-CG 3.66Å |
| 609 | A | 90.8 | Very high | 85 | Confident | 59 Ų | 59 | 41.1 Ų | 41.1 | 49% | 0.488 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.7 | -36.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D605 V607 R613 | D605-A609 VanDerWaalsContact O-CB 3.29Å; D605-A609 WeakPolarHBondContact O-CB 3.48Å; D605-A609 PolarHBondContact O-N 2.95Å; V607-A609 VanDerWaalsContact C-N 3.34Å; V607-A609 PolarHBondContact O-N 3.04Å; A609-R613 WeakPolarHBondContact O-CB 3.49Å; A609-R613 PolarHBondContact O-N 2.97Å; A609-R613 VanDerWaalsContact O-N 3.14Å |
| 610 | S | 88.5 | Confident | 83.8 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 8% | 0.077 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.7 | -47.2 | 177.9 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | L562 V606 V607 M608 R613 M614 | L562-S610 WeakPolarHBondContact CD1-O 3.16Å; V606-S610 WeakPolarHBondContact O-CB 3.33Å; V606-S610 PolarHBondContact O-N 3.24Å; V606-S610 VanDerWaalsContact O-N 3.08Å; V606-S610 PolarHBondContact O-OG 2.8Å; V607-S610 WeakPolarHBondContact O-CA 3.41Å; V607-S610 WeakPolarHBondContact O-CB 3.39Å; V607-S610 PolarHBondContact O-N 3.19Å; M608-S610 PolarHBondContact O-N 2.88Å; S610-R613 PolarHBondContact O-N 3.45Å; S610-M614 PolarHBondContact O-N 3.47Å |
| 611 | L | 89.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 177.1 | -64.8 | 175.7 | 0 | 0 | 0 | 111.5 | V607 M608 R613 M614 F615 A631 V632 | V607-L611 HydrophobicContact CG1-CD1 3.73Å; V607-L611 HydrophobicContact CG1-CG 4.17Å; V607-L611 WeakPolarHBondContact O-CG 3.2Å; V607-L611 PolarHBondContact O-N 3.28Å; M608-L611 PolarHBondContact O-N 2.95Å; L611-R613 VanDerWaalsContact C-N 3.32Å; L611-R613 PolarHBondContact O-N 3.3Å; L611-M614 HydrophobicContact CD2-CE 3.8Å; L611-M614 WeakPolarHBondContact O-CB 3.37Å; L611-M614 PolarHBondContact O-N 2.93Å; L611-M614 VanDerWaalsContact O-N 3.13Å; L611-F615 WeakPolarHBondContact O-CD2 3.32Å; L611-F615 PolarHBondContact O-N 3.12Å; L611-A631 HydrophobicContact CD1-CB 4.12Å; L611-A631 HydrophobicContact CD2-CB 4Å; L611-V632 HydrophobicContact CB-CG2 4.39Å; L611-V632 HydrophobicContact CD1-CG2 3.72Å |
| 612 | L | 89.9 | Confident | 82.8 | Confident | 26 Ų | 26 | 41.8 Ų | 41.8 | 14% | 0.136 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.5 | -40.7 | 175.8 | -71.5 | 173 | 0 | 0 | 0 | 112.3 | M608 M614 F615 Q616 A649 F650 F653 | M608-L612 HydrophobicContact CE-CD1 4.27Å; M608-L612 HydrophobicContact CE-CD2 3.71Å; M608-L612 HydrophobicContact CE-CG 3.81Å; M608-L612 HydrophobicContact CG-CD1 4.07Å; M608-L612 HydrophobicContact CG-CG 4.27Å; M608-L612 WeakPolarHBondContact O-CB 3.12Å; M608-L612 WeakPolarHBondContact O-CG 3.12Å; M608-L612 PolarHBondContact O-N 3.36Å; L612-M614 VanDerWaalsContact C-N 3.32Å; L612-F615 PolarHBondContact O-N 3.48Å; L612-Q616 WeakPolarHBondContact O-CG 3.47Å; L612-Q616 PolarHBondContact O-N 3.06Å; L612-A649 HydrophobicContact CD1-CB 4.28Å; L612-F650 HydrophobicContact CD2-CB 4.44Å; L612-F650 HydrophobicContact CD2-CD2 4Å; L612-F653 HydrophobicContact CD2-CD2 3.5Å; L612-F653 VanDerWaalsContact CD2-CD2 3.5Å; L612-F653 HydrophobicContact CD2-CE2 3.58Å; L612-F653 HydrophobicContact CD2-CG 4.47Å |
| 613 | R | 86.6 | Confident | 82.4 | Confident | 117 Ų | 117 | 37 Ų | 37 | 44% | 0.442 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.3 | -38.8 | 175.7 | -178.4 | 173.8 | 173.1 | 174.6 | -4.4 | 111.4 | L562 A609 S610 L611 Q616 S617 | L562-R613 HydrophobicContact CD1-CB 4.43Å; L562-R613 HydrophobicContact CD2-CG 4.44Å; L562-R613 PolarHBondContact O-NH2 3.29Å; A609-R613 WeakPolarHBondContact O-CB 3.49Å; A609-R613 PolarHBondContact O-N 2.97Å; A609-R613 VanDerWaalsContact O-N 3.14Å; S610-R613 PolarHBondContact O-N 3.45Å; L611-R613 VanDerWaalsContact C-N 3.32Å; L611-R613 PolarHBondContact O-N 3.3Å; R613-Q616 WeakPolarHBondContact O-CB 3.43Å; R613-Q616 PolarHBondContact O-N 3.34Å; R613-S617 PolarHBondContact O-N 3.4Å; R613-S617 VanDerWaalsContact O-N 3.12Å; R613-S617 PolarHBondContact O-OG 3.12Å |
| 614 | M | 85 | Confident | 82.3 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.5 | -43.5 | 177.7 | -169.2 | 168.7 | 60.7 | 0 | 0 | 112.2 | L562 Q581 C585 S610 L611 L612 Q616 S617 T618 V624 A628 | L562-M614 HydrophobicContact CD2-CB 3.91Å; L562-M614 HydrophobicContact CD2-CG 4.34Å; Q581-M614 HydrophobicContact CB-SD 3.94Å; Q581-M614 HydrophobicContact CG-SD 4.23Å; C585-M614 WeakPolarHBondContact SG-CE 3.49Å; S610-M614 PolarHBondContact O-N 3.47Å; L611-M614 HydrophobicContact CD2-CE 3.8Å; L611-M614 WeakPolarHBondContact O-CB 3.37Å; L611-M614 PolarHBondContact O-N 2.93Å; L611-M614 VanDerWaalsContact O-N 3.13Å; L612-M614 VanDerWaalsContact C-N 3.32Å; M614-Q616 PolarHBondContact O-N 3.17Å; M614-S617 PolarHBondContact O-N 3.44Å; M614-S617 PolarHBondContact O-OG 3.05Å; M614-T618 VanDerWaalsContact O-CB 3.31Å; M614-T618 WeakPolarHBondContact O-CB 3.47Å; M614-T618 PolarHBondContact O-N 2.91Å; M614-T618 PolarHBondContact O-OG1 3.37Å; M614-V624 HydrophobicContact CE-CG1 4.37Å; M614-V624 HydrophobicContact CG-CG1 3.95Å; M614-V624 HydrophobicContact SD-CG1 3.72Å; M614-A628 HydrophobicContact CE-CB 3.19Å |
| 615 | F | 83.8 | Confident | 82.1 | Confident | 19 Ų | 19 | 36.9 Ų | 36.9 | 8% | 0.083 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.7 | -32.4 | 174.5 | -72 | -62.9 | 0 | 0 | 0 | 113 | L611 L612 A628 L629 V632 F650 F653 | L611-F615 WeakPolarHBondContact O-CD2 3.32Å; L611-F615 PolarHBondContact O-N 3.12Å; L612-F615 PolarHBondContact O-N 3.48Å; F615-A628 HydrophobicContact CD1-CB 4.19Å; F615-A628 HydrophobicContact CE1-CB 3.41Å; F615-A628 VanDerWaalsContact CE1-CB 3.41Å; F615-A628 HydrophobicContact CE2-CB 3.97Å; F615-A628 HydrophobicContact CZ-CB 3.28Å; F615-L629 HydrophobicContact CE1-CD2 4.07Å; F615-L629 HydrophobicContact CE1-CG 3.89Å; F615-L629 HydrophobicContact CZ-CD2 3.74Å; F615-L629 HydrophobicContact CZ-CG 3.83Å; F615-V632 HydrophobicContact CE2-CG2 4.13Å; F615-F650 AromaticContact CE2-CE2 3.98Å; F615-F650 HydrophobicContact CE2-CE2 3.98Å; F615-F650 HydrophobicContact CZ-CE2 4.48Å; F615-F653 HydrophobicContact CB-CD1 3.42Å; F615-F653 VanDerWaalsContact CB-CD1 3.42Å; F615-F653 HydrophobicContact CB-CE1 3.75Å; F615-F653 HydrophobicContact CB-CG 4.08Å; F615-F653 HydrophobicContact CD2-CB 4.39Å; F615-F653 HydrophobicContact CD2-CG 4.41Å; F615-F653 HydrophobicContact CG-CB 4.4Å; F615-F653 HydrophobicContact CG-CD1 4.12Å; F615-F653 HydrophobicContact CG-CG 4.36Å |
| 616 | Q | 80.9 | Confident | 82.1 | Confident | 132 Ų | 132 | 35.1 Ų | 35.1 | 62% | 0.617 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -74.4 | -37.5 | 178.9 | -67.7 | 171.3 | 11.6 | 0 | 0 | 112.9 | L612 R613 M614 F653 | L612-Q616 WeakPolarHBondContact O-CG 3.47Å; L612-Q616 PolarHBondContact O-N 3.06Å; R613-Q616 WeakPolarHBondContact O-CB 3.43Å; R613-Q616 PolarHBondContact O-N 3.34Å; M614-Q616 PolarHBondContact O-N 3.17Å; Q616-F653 HydrophobicContact CG-CE1 3.75Å; Q616-F653 HydrophobicContact CG-CZ 3.63Å |
| 617 | S | 73.1 | Confident | 82.2 | Confident | 24 Ų | 24 | 33.8 Ų | 33.8 | 17% | 0.168 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -80.5 | -28 | -179.1 | 53.6 | 0 | 0 | 0 | 0 | 113.7 | E565 R574 R613 M614 | E565-S617 WeakPolarHBondContact OE1-CB 3.46Å; E565-S617 WeakPolarHBondContact OE2-CB 3.46Å; R574-S617 PolarHBondContact NH2-O 2.97Å; R613-S617 PolarHBondContact O-N 3.4Å; R613-S617 VanDerWaalsContact O-N 3.12Å; R613-S617 PolarHBondContact O-OG 3.12Å; M614-S617 PolarHBondContact O-N 3.44Å; M614-S617 PolarHBondContact O-OG 3.05Å |
| 618 | T | 65.6 | Low | 82.3 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | trans | -113.2 | 34.2 | -163.8 | -45.2 | 0 | 0 | 0 | 0 | 112.5 | Q581 M614 G620 S621 V624 Q625 | Q581-T618 PolarHBondContact OE1-OG1 3.32Å; M614-T618 VanDerWaalsContact O-CB 3.31Å; M614-T618 WeakPolarHBondContact O-CB 3.47Å; M614-T618 PolarHBondContact O-N 2.91Å; M614-T618 PolarHBondContact O-OG1 3.37Å; T618-G620 PolarHBondContact O-N 3.18Å; T618-S621 PolarHBondContact O-N 3.11Å; T618-V624 HydrophobicContact CG2-CB 3.85Å; T618-V624 HydrophobicContact CG2-CG1 3.92Å; T618-V624 HydrophobicContact CG2-CG2 4.18Å; T618-Q625 PolarHBondContact O-NE2 2.63Å | ||
| 619 | A | 60.7 | Low | 82.3 | Confident | 84 Ų | 84 | 33.8 Ų | 33.8 | 69% | 0.694 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 5.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 620 | G | 63.1 | Low | 82.4 | Confident | 69 Ų | 69 | 34.5 Ų | 34.5 | 71% | 0.711 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -140.2 | 20 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | T618 | T618-G620 PolarHBondContact O-N 3.18Š|
| 621 | S | 76.6 | Confident | 82.6 | Confident | 27 Ų | 27 | 34 Ų | 34 | 19% | 0.189 | 21% | 0.207 | C | C | . | . | trans | -125.2 | 101.5 | 170.7 | -169.1 | 0 | 0 | 0 | 0 | 109.9 | N578 T618 G623 V624 Q625 | N578-S621 WeakPolarHBondContact ND2-CB 3.45Å; N578-S621 PolarHBondContact ND2-OG 2.89Å; T618-S621 PolarHBondContact O-N 3.11Å; S621-G623 PolarHBondContact O-N 3.39Å; S621-V624 PolarHBondContact O-N 3.2Å; S621-Q625 PolarHBondContact O-N 3.09Å | ||
| 622 | G | 76.6 | Confident | 82.9 | Confident | 9 Ų | 9 | 34 Ų | 34 | 9% | 0.093 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.3 | -49.8 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | V624 Q625 E626 E663 V666 | G622-V624 VanDerWaalsContact C-N 3.3Å; G622-V624 PolarHBondContact O-N 2.92Å; G622-Q625 WeakPolarHBondContact O-CA 3.42Å; G622-Q625 WeakPolarHBondContact O-CB 3.31Å; G622-Q625 PolarHBondContact O-N 3.29Å; G622-E626 PolarHBondContact O-N 3.42Å; G622-E663 VanDerWaalsContact CA-CD 3.47Å; G622-E663 WeakPolarHBondContact CA-OE2 3.4Å; G622-E663 PolarHBondContact N-OE1 3.32Å; G622-E663 PolarHBondContact N-OE2 2.88Å; G622-V666 VanDerWaalsContact O-CG2 3.24Å; G622-V666 WeakPolarHBondContact O-CG2 3.42Å |
| 623 | G | 81.3 | Confident | 83.2 | Confident | 35 Ų | 35 | 33.2 Ų | 33.2 | 36% | 0.361 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.3 | -38 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | S621 Q625 E626 D627 | S621-G623 PolarHBondContact O-N 3.39Å; G623-Q625 VanDerWaalsContact C-N 3.33Å; G623-Q625 PolarHBondContact O-N 2.93Å; G623-E626 WeakPolarHBondContact O-CB 3.48Å; G623-E626 PolarHBondContact O-N 3.03Å; G623-D627 PolarHBondContact O-N 2.67Å |
| 624 | V | 84.7 | Confident | 83.5 | Confident | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.024 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.9 | -36 | 176.1 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | N578 Q581 M614 T618 S621 G622 A628 | N578-V624 HydrophobicContact CB-CG2 3.62Å; N578-V624 WeakPolarHBondContact O-CG2 3.38Å; Q581-V624 HydrophobicContact CB-CG1 3.86Å; Q581-V624 HydrophobicContact CB-CG2 4.35Å; M614-V624 HydrophobicContact CE-CG1 4.37Å; M614-V624 HydrophobicContact CG-CG1 3.95Å; M614-V624 HydrophobicContact SD-CG1 3.72Å; T618-V624 HydrophobicContact CG2-CB 3.85Å; T618-V624 HydrophobicContact CG2-CG1 3.92Å; T618-V624 HydrophobicContact CG2-CG2 4.18Å; S621-V624 PolarHBondContact O-N 3.2Å; G622-V624 VanDerWaalsContact C-N 3.3Å; G622-V624 PolarHBondContact O-N 2.92Å; V624-A628 WeakPolarHBondContact O-CB 3.44Å; V624-A628 PolarHBondContact O-N 3Å |
| 625 | Q | 86.2 | Confident | 83.9 | Confident | 14 Ų | 14 | 27.6 Ų | 27.6 | 7% | 0.065 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.8 | -39.3 | 177.6 | -65.3 | 178.9 | 5 | 0 | 0 | 111.5 | T618 S621 G622 G623 A628 L629 V666 | T618-Q625 PolarHBondContact O-NE2 2.63Å; S621-Q625 PolarHBondContact O-N 3.09Å; G622-Q625 WeakPolarHBondContact O-CA 3.42Å; G622-Q625 WeakPolarHBondContact O-CB 3.31Å; G622-Q625 PolarHBondContact O-N 3.29Å; G623-Q625 VanDerWaalsContact C-N 3.33Å; G623-Q625 PolarHBondContact O-N 2.93Å; Q625-A628 WeakPolarHBondContact O-CB 3.31Å; Q625-A628 PolarHBondContact O-N 2.76Å; Q625-L629 WeakPolarHBondContact O-CB 3.41Å; Q625-L629 VanDerWaalsContact O-CG 3.23Å; Q625-L629 WeakPolarHBondContact O-CG 3.35Å; Q625-L629 PolarHBondContact O-N 2.85Å; Q625-V666 HydrophobicContact CB-CG1 3.93Å; Q625-V666 HydrophobicContact CB-CG2 4.1Å |
| 626 | E | 90.2 | Very high | 84.5 | Confident | 47 Ų | 47 | 26.7 Ų | 26.7 | 22% | 0.22 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58 | -57.1 | 173.1 | 177.4 | 180 | -166 | 0 | 0 | 111.1 | G622 G623 A628 L629 M630 Q665 V666 A669 | G622-E626 PolarHBondContact O-N 3.42Å; G623-E626 WeakPolarHBondContact O-CB 3.48Å; G623-E626 PolarHBondContact O-N 3.03Å; E626-A628 PolarHBondContact O-N 3.24Å; E626-L629 WeakPolarHBondContact O-CB 3.49Å; E626-L629 PolarHBondContact O-N 3.48Å; E626-M630 HydrophobicContact CG-SD 4.25Å; E626-M630 WeakPolarHBondContact O-CG 3.41Å; E626-M630 PolarHBondContact O-N 2.99Å; E626-Q665 WeakPolarHBondContact OE2-CB 3.08Å; E626-V666 HydrophobicContact CB-CG2 4.47Å; E626-A669 HydrophobicContact CG-CB 4.15Å |
| 627 | D | 90.3 | Very high | 85.1 | Confident | 27 Ų | 27 | 25.2 Ų | 25.2 | 14% | 0.144 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.2 | -34.5 | 179.7 | -78.3 | -53.7 | 0 | 0 | 0 | 113 | S582 C585 G623 A631 | S582-D627 WeakPolarHBondContact CB-OD2 3.37Å; S582-D627 PolarHBondContact OG-OD2 3.49Å; C585-D627 HydrophobicContact CB-CB 3.96Å; G623-D627 PolarHBondContact O-N 2.67Å; D627-A631 WeakPolarHBondContact O-CB 3.26Å; D627-A631 PolarHBondContact O-N 3.17Å |
| 628 | A | 91.3 | Very high | 85.9 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.8 | -44.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | M614 F615 V624 Q625 E626 A631 V632 | M614-A628 HydrophobicContact CE-CB 3.19Å; F615-A628 HydrophobicContact CD1-CB 4.19Å; F615-A628 HydrophobicContact CE1-CB 3.41Å; F615-A628 VanDerWaalsContact CE1-CB 3.41Å; F615-A628 HydrophobicContact CE2-CB 3.97Å; F615-A628 HydrophobicContact CZ-CB 3.28Å; V624-A628 WeakPolarHBondContact O-CB 3.44Å; V624-A628 PolarHBondContact O-N 3Å; Q625-A628 WeakPolarHBondContact O-CB 3.31Å; Q625-A628 PolarHBondContact O-N 2.76Å; E626-A628 PolarHBondContact O-N 3.24Å; A628-A631 PolarHBondContact O-N 3.25Å; A628-V632 WeakPolarHBondContact O-CG2 3.41Å; A628-V632 PolarHBondContact O-N 3.4Å |
| 629 | L | 93.9 | Very high | 87.3 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.8 | -41.9 | 178 | -72.7 | 168.3 | 0 | 0 | 0 | 110.5 | F615 Q625 E626 A631 V632 S633 F650 V666 A669 A670 L673 | F615-L629 HydrophobicContact CE1-CD2 4.07Å; F615-L629 HydrophobicContact CE1-CG 3.89Å; F615-L629 HydrophobicContact CZ-CD2 3.74Å; F615-L629 HydrophobicContact CZ-CG 3.83Å; Q625-L629 WeakPolarHBondContact O-CB 3.41Å; Q625-L629 VanDerWaalsContact O-CG 3.23Å; Q625-L629 WeakPolarHBondContact O-CG 3.35Å; Q625-L629 PolarHBondContact O-N 2.85Å; E626-L629 WeakPolarHBondContact O-CB 3.49Å; E626-L629 PolarHBondContact O-N 3.48Å; L629-A631 VanDerWaalsContact C-N 3.33Å; L629-A631 PolarHBondContact O-N 3.19Å; L629-V632 CarbonylContact O-C 3.57Å; L629-V632 WeakPolarHBondContact O-CA 3.48Å; L629-V632 WeakPolarHBondContact O-CB 3.45Å; L629-V632 PolarHBondContact O-N 2.95Å; L629-V632 VanDerWaalsContact O-N 3.1Å; L629-S633 PolarHBondContact O-N 3.02Å; L629-F650 HydrophobicContact CD2-CE2 4.49Å; L629-F650 HydrophobicContact CD2-CZ 3.98Å; L629-V666 HydrophobicContact CD1-CG1 3.93Å; L629-A669 HydrophobicContact CB-CB 3.93Å; L629-A669 HydrophobicContact CD1-CB 4.12Å; L629-A670 HydrophobicContact CD1-CB 4.02Å; L629-L673 HydrophobicContact CD2-CD2 3.75Å |
| 630 | M | 93.4 | Very high | 88.8 | Confident | 74 Ų | 74 | 22.3 Ų | 22.3 | 37% | 0.365 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -63.3 | -37.4 | 174.6 | -67.2 | -178.8 | 70.6 | 0 | 0 | 112.6 | E626 V632 S633 T634 A669 | E626-M630 HydrophobicContact CG-SD 4.25Å; E626-M630 WeakPolarHBondContact O-CG 3.41Å; E626-M630 PolarHBondContact O-N 2.99Å; M630-V632 VanDerWaalsContact C-N 3.34Å; M630-S633 WeakPolarHBondContact O-CB 3.33Å; M630-S633 PolarHBondContact O-N 3.29Å; M630-T634 PolarHBondContact O-N 3.1Å; M630-T634 PolarHBondContact O-OG1 2.71Å; M630-T634 VanDerWaalsContact O-OG1 3.07Å; M630-A669 HydrophobicContact CG-CB 4.39Å |
| 631 | A | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.4 | -37.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C585 Q589 L611 D627 A628 L629 L635 | C585-A631 HydrophobicContact CB-CB 4.28Å; Q589-A631 HydrophobicContact CG-CB 4.09Å; L611-A631 HydrophobicContact CD1-CB 4.12Å; L611-A631 HydrophobicContact CD2-CB 4Å; D627-A631 WeakPolarHBondContact O-CB 3.26Å; D627-A631 PolarHBondContact O-N 3.17Å; A628-A631 PolarHBondContact O-N 3.25Å; L629-A631 VanDerWaalsContact C-N 3.33Å; L629-A631 PolarHBondContact O-N 3.19Å; A631-L635 PolarHBondContact O-N 3.19Å; A631-L635 VanDerWaalsContact O-N 3.07Å |
| 632 | V | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.8 | -44.3 | 171.5 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | M608 L611 F615 A628 L629 M630 T634 L635 V636 F643 F650 L673 | M608-V632 HydrophobicContact CE-CG1 4.49Å; M608-V632 HydrophobicContact CE-CG2 4.25Å; M608-V632 HydrophobicContact SD-CG2 4.36Å; L611-V632 HydrophobicContact CB-CG2 4.39Å; L611-V632 HydrophobicContact CD1-CG2 3.72Å; F615-V632 HydrophobicContact CE2-CG2 4.13Å; A628-V632 WeakPolarHBondContact O-CG2 3.41Å; A628-V632 PolarHBondContact O-N 3.4Å; L629-V632 CarbonylContact O-C 3.57Å; L629-V632 WeakPolarHBondContact O-CA 3.48Å; L629-V632 WeakPolarHBondContact O-CB 3.45Å; L629-V632 PolarHBondContact O-N 2.95Å; L629-V632 VanDerWaalsContact O-N 3.1Å; M630-V632 VanDerWaalsContact C-N 3.34Å; V632-T634 VanDerWaalsContact C-N 3.31Å; V632-T634 PolarHBondContact O-N 2.96Å; V632-L635 CarbonylContact O-C 3.57Å; V632-L635 WeakPolarHBondContact O-CA 3.09Å; V632-L635 WeakPolarHBondContact O-CB 3.32Å; V632-L635 PolarHBondContact O-N 3.39Å; V632-V636 HydrophobicContact CG1-CG2 4.17Å; V632-V636 VanDerWaalsContact O-CG2 3.31Å; V632-V636 WeakPolarHBondContact O-CG2 3.5Å; V632-V636 PolarHBondContact O-N 3.35Å; V632-F643 HydrophobicContact CG1-CE2 4.05Å; V632-F643 HydrophobicContact CG1-CZ 3.76Å; V632-F650 HydrophobicContact CB-CZ 4.41Å; V632-F650 HydrophobicContact CG1-CE1 4.02Å; V632-F650 HydrophobicContact CG1-CE2 4.2Å; V632-F650 HydrophobicContact CG1-CZ 3.87Å; V632-F650 HydrophobicContact CG2-CE2 4.09Å; V632-F650 HydrophobicContact CG2-CZ 4.38Å; V632-L673 HydrophobicContact CB-CD1 4.47Å; V632-L673 HydrophobicContact CB-CD2 4.17Å; V632-L673 HydrophobicContact CG1-CD1 3.97Å; V632-L673 HydrophobicContact CG1-CD2 3.94Å |
| 633 | S | 95.3 | Very high | 92 | Very high | 10 Ų | 10 | 24 Ų | 24 | 7% | 0.07 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -53.8 | -48.7 | 175.5 | -87.6 | 0 | 0 | 0 | 0 | 111.4 | L629 M630 L635 V636 E637 L673 D676 | L629-S633 PolarHBondContact O-N 3.02Å; M630-S633 WeakPolarHBondContact O-CB 3.33Å; M630-S633 PolarHBondContact O-N 3.29Å; S633-L635 VanDerWaalsContact C-N 3.3Å; S633-L635 PolarHBondContact O-N 2.89Å; S633-V636 WeakPolarHBondContact O-CA 3.42Å; S633-V636 WeakPolarHBondContact O-CB 3.29Å; S633-V636 PolarHBondContact O-N 2.67Å; S633-V636 VanDerWaalsContact O-N 3.08Å; S633-E637 WeakPolarHBondContact O-CG 3.09Å; S633-E637 PolarHBondContact O-N 2.9Å; S633-L673 WeakPolarHBondContact OG-CA 3.44Å; S633-L673 WeakPolarHBondContact OG-CB 3.31Å; S633-L673 VanDerWaalsContact OG-CD1 3.29Å; S633-L673 WeakPolarHBondContact OG-CD1 3.41Å; S633-D676 WeakPolarHBondContact CB-OD2 3.43Å; S633-D676 PolarHBondContact OG-OD2 2.97Å |
| 634 | T | 93.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.5 | -38.8 | 177.7 | -54.8 | 0 | 0 | 0 | 0 | 111.9 | Q589 L592 R593 M630 V632 V636 E637 V638 | Q589-T634 HydrophobicContact CB-CG2 4.42Å; Q589-T634 WeakPolarHBondContact O-CG2 3.45Å; L592-T634 HydrophobicContact CB-CG2 3.86Å; R593-T634 HydrophobicContact CG-CG2 3.67Å; M630-T634 PolarHBondContact O-N 3.1Å; M630-T634 PolarHBondContact O-OG1 2.71Å; M630-T634 VanDerWaalsContact O-OG1 3.07Å; V632-T634 VanDerWaalsContact C-N 3.31Å; V632-T634 PolarHBondContact O-N 2.96Å; T634-V636 VanDerWaalsContact C-N 3.33Å; T634-E637 PolarHBondContact O-N 3.47Å; T634-V638 VanDerWaalsContact O-CG2 3.25Å; T634-V638 WeakPolarHBondContact O-CG2 3.23Å; T634-V638 PolarHBondContact O-N 2.9Å; T634-V638 VanDerWaalsContact O-N 3.1Å |
| 635 | L | 93.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.2 | -35 | 175.4 | -171.7 | 69.9 | 0 | 0 | 0 | 112.1 | L592 V607 M608 A631 V632 S633 V638 L639 F643 | L592-L635 HydrophobicContact CD1-CB 4.19Å; L592-L635 HydrophobicContact CD1-CD1 4.1Å; L592-L635 HydrophobicContact CD2-CD1 4.06Å; V607-L635 HydrophobicContact CG1-CD2 4.08Å; M608-L635 HydrophobicContact CB-CD2 4.36Å; M608-L635 HydrophobicContact SD-CD2 4.21Å; A631-L635 PolarHBondContact O-N 3.19Å; A631-L635 VanDerWaalsContact O-N 3.07Å; V632-L635 CarbonylContact O-C 3.57Å; V632-L635 WeakPolarHBondContact O-CA 3.09Å; V632-L635 WeakPolarHBondContact O-CB 3.32Å; V632-L635 PolarHBondContact O-N 3.39Å; S633-L635 VanDerWaalsContact C-N 3.3Å; S633-L635 PolarHBondContact O-N 2.89Å; L635-V638 PolarHBondContact O-N 3.1Å; L635-L639 HydrophobicContact CD1-CD1 4.02Å; L635-L639 HydrophobicContact CD1-CG 4.16Å; L635-L639 HydrophobicContact CD2-CD1 4.3Å; L635-L639 HydrophobicContact CG-CD1 3.81Å; L635-L639 HydrophobicContact CG-CG 4.25Å; L635-L639 WeakPolarHBondContact O-CB 3.29Å; L635-L639 VanDerWaalsContact O-CG 3.27Å; L635-L639 WeakPolarHBondContact O-CG 3.34Å; L635-L639 PolarHBondContact O-N 3.01Å; L635-F643 HydrophobicContact CD2-CE2 4.42Å |
| 636 | V | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.5 | -46.4 | 174.2 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | V632 S633 T634 V638 L639 G640 F643 L673 D676 L677 A680 | V632-V636 HydrophobicContact CG1-CG2 4.17Å; V632-V636 VanDerWaalsContact O-CG2 3.31Å; V632-V636 WeakPolarHBondContact O-CG2 3.5Å; V632-V636 PolarHBondContact O-N 3.35Å; S633-V636 WeakPolarHBondContact O-CA 3.42Å; S633-V636 WeakPolarHBondContact O-CB 3.29Å; S633-V636 PolarHBondContact O-N 2.67Å; S633-V636 VanDerWaalsContact O-N 3.08Å; T634-V636 VanDerWaalsContact C-N 3.33Å; V636-V638 VanDerWaalsContact C-N 3.33Å; V636-V638 PolarHBondContact O-N 3.48Å; V636-L639 PolarHBondContact O-N 2.99Å; V636-G640 WeakPolarHBondContact O-CA 3.32Å; V636-G640 PolarHBondContact O-N 3.48Å; V636-F643 HydrophobicContact CB-CD2 4.46Å; V636-F643 HydrophobicContact CG2-CD1 3.78Å; V636-F643 HydrophobicContact CG2-CD2 3.58Å; V636-F643 HydrophobicContact CG2-CE1 3.77Å; V636-F643 HydrophobicContact CG2-CE2 3.59Å; V636-F643 HydrophobicContact CG2-CG 3.7Å; V636-F643 HydrophobicContact CG2-CZ 3.68Å; V636-L673 HydrophobicContact CG2-CD1 4.01Å; V636-D676 HydrophobicContact CG1-CB 4.16Å; V636-L677 HydrophobicContact CG1-CD2 3.96Å; V636-L677 HydrophobicContact CG1-CG 4.43Å; V636-L677 HydrophobicContact CG2-CD2 3.66Å; V636-L677 HydrophobicContact CG2-CG 4.39Å; V636-A680 HydrophobicContact CG1-CB 3.39Å |
| 637 | E | 93.1 | Very high | 93.9 | Very high | 101 Ų | 101 | 29.3 Ų | 29.3 | 47% | 0.472 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -56.9 | -45.6 | 175.6 | -70.1 | 171.9 | -175.9 | 0 | 0 | 111.8 | R593 S633 T634 | R593-E637 IonicContact NE-OE2 2.6Å; S633-E637 WeakPolarHBondContact O-CG 3.09Å; S633-E637 PolarHBondContact O-N 2.9Å; T634-E637 PolarHBondContact O-N 3.47Å |
| 638 | V | 91.8 | Very high | 94 | Very high | 27 Ų | 27 | 34.1 Ų | 34.1 | 16% | 0.164 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -73 | -37 | -175.9 | 175 | 0 | 0 | 0 | 0 | 112.5 | L592 H597 A600 T634 L635 V636 | L592-V638 HydrophobicContact CB-CG2 4.47Å; L592-V638 WeakPolarHBondContact O-CG2 3.49Å; H597-V638 PolarHBondContact CE1-O 3.19Å; H597-V638 PolarHBondContact ND1-O 3.43Å; A600-V638 HydrophobicContact CB-CG1 3.29Å; T634-V638 VanDerWaalsContact O-CG2 3.25Å; T634-V638 WeakPolarHBondContact O-CG2 3.23Å; T634-V638 PolarHBondContact O-N 2.9Å; T634-V638 VanDerWaalsContact O-N 3.1Å; L635-V638 PolarHBondContact O-N 3.1Å; V636-V638 VanDerWaalsContact C-N 3.33Å; V636-V638 PolarHBondContact O-N 3.48Å |
| 639 | L | 93.1 | Very high | 94.2 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -86.2 | -26.2 | -178.6 | -66.7 | -178.6 | 0 | 0 | 0 | 113.5 | L601 L635 V636 S641 D642 F643 Y646 | L601-L639 HydrophobicContact CD2-CD2 3.81Å; L601-L639 HydrophobicContact CG-CD2 4.37Å; L635-L639 HydrophobicContact CD1-CD1 4.02Å; L635-L639 HydrophobicContact CD1-CG 4.16Å; L635-L639 HydrophobicContact CD2-CD1 4.3Å; L635-L639 HydrophobicContact CG-CD1 3.81Å; L635-L639 HydrophobicContact CG-CG 4.25Å; L635-L639 WeakPolarHBondContact O-CB 3.29Å; L635-L639 VanDerWaalsContact O-CG 3.27Å; L635-L639 WeakPolarHBondContact O-CG 3.34Å; L635-L639 PolarHBondContact O-N 3.01Å; V636-L639 PolarHBondContact O-N 2.99Å; L639-S641 PolarHBondContact O-N 3.28Å; L639-D642 HydrophobicContact CB-CB 4.38Å; L639-D642 PolarHBondContact O-N 2.93Å; L639-F643 HydrophobicContact CB-CB 4.24Å; L639-F643 HydrophobicContact CD1-CD2 4.17Å; L639-Y646 HydrophobicContact CD1-CE2 3.78Å |
| 640 | G | 93.8 | Very high | 94.2 | Very high | 19 Ų | 19 | 36.6 Ų | 36.6 | 20% | 0.196 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | 55.6 | -126.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V636 D642 F643 A680 | V636-G640 WeakPolarHBondContact O-CA 3.32Å; V636-G640 PolarHBondContact O-N 3.48Å; G640-D642 PolarHBondContact O-N 3.1Å; G640-F643 WeakPolarHBondContact O-CB 3.3Å; G640-F643 PolarHBondContact O-N 3.16Å; G640-A680 CarbonylContact C-O 3.53Å |
| 641 | S | 93.3 | Very high | 94.2 | Very high | 69 Ų | 69 | 36 Ų | 36 | 48% | 0.483 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -62 | -25.1 | -178.8 | 56.6 | 0 | 0 | 0 | 0 | 114 | L639 F643 Q644 A680 | L639-S641 PolarHBondContact O-N 3.28Å; S641-F643 PolarHBondContact O-N 3.18Å; S641-Q644 WeakPolarHBondContact O-CB 3.24Å; S641-Q644 PolarHBondContact O-N 3.02Å; S641-A680 PolarHBondContact N-O 3.08Å |
| 642 | D | 94.1 | Very high | 94.2 | Very high | 71 Ų | 71 | 39.3 Ų | 39.3 | 38% | 0.38 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -68.8 | -12.8 | -179.7 | -70.7 | -43.4 | 0 | 0 | 0 | 113 | H597 L601 L639 G640 Q644 K645 | H597-D642 IonicContact NE2-OD2 3.65Å; L601-D642 HydrophobicContact CD2-CB 4.05Å; L639-D642 HydrophobicContact CB-CB 4.38Å; L639-D642 PolarHBondContact O-N 2.93Å; G640-D642 PolarHBondContact O-N 3.1Å; D642-Q644 PolarHBondContact O-N 3.47Å; D642-K645 WeakPolarHBondContact O-CG 3.17Å |
| 643 | F | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -66.7 | -19.4 | 173.1 | -170.9 | -93 | 0 | 0 | 0 | 113 | M608 V632 L635 V636 L639 G640 S641 K645 Y646 M647 F650 L677 L681 | M608-F643 HydrophobicContact CE-CZ 4.27Å; M608-F643 HydrophobicContact SD-CE2 4.05Å; M608-F643 HydrophobicContact SD-CZ 4.3Å; V632-F643 HydrophobicContact CG1-CE2 4.05Å; V632-F643 HydrophobicContact CG1-CZ 3.76Å; L635-F643 HydrophobicContact CD2-CE2 4.42Å; V636-F643 HydrophobicContact CB-CD2 4.46Å; V636-F643 HydrophobicContact CG2-CD1 3.78Å; V636-F643 HydrophobicContact CG2-CD2 3.58Å; V636-F643 HydrophobicContact CG2-CE1 3.77Å; V636-F643 HydrophobicContact CG2-CE2 3.59Å; V636-F643 HydrophobicContact CG2-CG 3.7Å; V636-F643 HydrophobicContact CG2-CZ 3.68Å; L639-F643 HydrophobicContact CB-CB 4.24Å; L639-F643 HydrophobicContact CD1-CD2 4.17Å; G640-F643 WeakPolarHBondContact O-CB 3.3Å; G640-F643 PolarHBondContact O-N 3.16Å; S641-F643 PolarHBondContact O-N 3.18Å; F643-K645 PolarHBondContact O-N 3.31Å; F643-Y646 AromaticContact CD2-CD2 3.71Å; F643-Y646 HydrophobicContact CD2-CD2 3.71Å; F643-Y646 HydrophobicContact CD2-CE2 4.36Å; F643-Y646 AromaticContact CE2-CD2 3.87Å; F643-Y646 HydrophobicContact CE2-CD2 3.87Å; F643-Y646 HydrophobicContact CG-CD2 4.19Å; F643-Y646 HydrophobicContact CZ-CD2 4.49Å; F643-Y646 PolarHBondContact O-N 2.8Å; F643-M647 HydrophobicContact CD1-CG 4.31Å; F643-M647 HydrophobicContact CD1-SD 4.13Å; F643-M647 HydrophobicContact CE1-CG 4.39Å; F643-M647 HydrophobicContact CE1-SD 3.81Å; F643-F650 HydrophobicContact CE1-CD1 4.4Å; F643-F650 HydrophobicContact CZ-CD1 4.3Å; F643-L677 HydrophobicContact CD1-CD2 3.65Å; F643-L677 HydrophobicContact CE1-CD2 3.6Å; F643-L681 HydrophobicContact CB-CD2 4.43Å |
| 644 | Q | 94.9 | Very high | 94.1 | Very high | 81 Ų | 81 | 40.7 Ų | 40.7 | 38% | 0.379 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -51.5 | -32.1 | -176.3 | -171.6 | 177.2 | 8.2 | 0 | 0 | 113.4 | S641 D642 Y646 M647 L681 | S641-Q644 WeakPolarHBondContact O-CB 3.24Å; S641-Q644 PolarHBondContact O-N 3.02Å; D642-Q644 PolarHBondContact O-N 3.47Å; Q644-Y646 PolarHBondContact O-N 3.4Å; Q644-Y646 VanDerWaalsContact O-N 3.15Å; Q644-M647 PolarHBondContact O-N 2.99Å; Q644-L681 HydrophobicContact CB-CD2 4.04Å |
| 645 | K | 95.3 | Very high | 94.1 | Very high | 111 Ų | 111 | 41 Ų | 41 | 48% | 0.483 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -60.7 | -21.4 | 178.6 | 65.4 | 177 | 162.5 | 152.7 | 0 | 114.4 | D605 D642 F643 | D605-K645 IonicContact OD1-NZ 2.73Å; D605-K645 PolarHBondContact OD1-NZ 3.35Å; D605-K645 IonicContact OD2-NZ 3.54Å; D642-K645 WeakPolarHBondContact O-CG 3.17Å; F643-K645 PolarHBondContact O-N 3.31Å |
| 646 | Y | 96.4 | Very high | 94 | Very high | 19 Ų | 19 | 45.5 Ų | 45.5 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -97.2 | -14 | -178.4 | -53.4 | -62 | 0 | 0 | 0 | 113.7 | S604 D605 M608 L639 F643 Q644 D648 A649 F650 | S604-Y646 VanDerWaalsContact CB-OH 3.3Å; S604-Y646 WeakPolarHBondContact CB-OH 3.42Å; S604-Y646 PolarHBondContact O-OH 2.99Å; S604-Y646 PolarHBondContact OG-OH 3.06Å; D605-Y646 VanDerWaalsContact CA-OH 3.27Å; D605-Y646 WeakPolarHBondContact CA-OH 3.4Å; D605-Y646 PolarHBondContact N-OH 2.98Å; D605-Y646 WeakPolarHBondContact OD1-CE1 3.17Å; D605-Y646 PolarHBondContact OD1-OH 3.24Å; M608-Y646 HydrophobicContact CB-CD1 4.06Å; M608-Y646 HydrophobicContact CB-CE1 3.93Å; M608-Y646 HydrophobicContact CB-CE2 4.48Å; M608-Y646 HydrophobicContact CB-CG 4.39Å; M608-Y646 HydrophobicContact CG-CD1 3.73Å; M608-Y646 HydrophobicContact CG-CD2 4.28Å; M608-Y646 HydrophobicContact CG-CE1 4.14Å; M608-Y646 HydrophobicContact CG-CG 3.8Å; L639-Y646 HydrophobicContact CD1-CE2 3.78Å; F643-Y646 AromaticContact CD2-CD2 3.71Å; F643-Y646 HydrophobicContact CD2-CD2 3.71Å; F643-Y646 HydrophobicContact CD2-CE2 4.36Å; F643-Y646 AromaticContact CE2-CD2 3.87Å; F643-Y646 HydrophobicContact CE2-CD2 3.87Å; F643-Y646 HydrophobicContact CG-CD2 4.19Å; F643-Y646 HydrophobicContact CZ-CD2 4.49Å; F643-Y646 PolarHBondContact O-N 2.8Å; Q644-Y646 PolarHBondContact O-N 3.4Å; Q644-Y646 VanDerWaalsContact O-N 3.15Å; Y646-D648 VanDerWaalsContact C-N 3.33Å; Y646-D648 PolarHBondContact O-N 3.04Å; Y646-A649 PolarHBondContact O-N 3.2Å; Y646-F650 WeakPolarHBondContact O-CB 3.28Å; Y646-F650 PolarHBondContact O-N 3.15Å |
| 647 | M | 94.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.2 | -42.7 | -170.7 | -80 | -61.5 | -67.5 | 0 | 0 | 113.3 | F643 Q644 A649 F650 K651 L677 L681 Y688 | F643-M647 HydrophobicContact CD1-CG 4.31Å; F643-M647 HydrophobicContact CD1-SD 4.13Å; F643-M647 HydrophobicContact CE1-CG 4.39Å; F643-M647 HydrophobicContact CE1-SD 3.81Å; Q644-M647 PolarHBondContact O-N 2.99Å; M647-A649 VanDerWaalsContact C-N 3.29Å; M647-A649 PolarHBondContact O-N 3.18Å; M647-F650 PolarHBondContact O-N 3.05Å; M647-K651 WeakPolarHBondContact O-CB 3.19Å; M647-K651 PolarHBondContact O-N 3.36Å; M647-L677 HydrophobicContact CE-CD1 4.33Å; M647-L677 HydrophobicContact SD-CD1 4.18Å; M647-L677 HydrophobicContact SD-CD2 3.73Å; M647-L681 HydrophobicContact CE-CD1 4.32Å; M647-L681 HydrophobicContact CG-CD1 3.77Å; M647-L681 HydrophobicContact SD-CD1 3.91Å; M647-Y688 HydrophobicContact CB-CE1 4.08Å; M647-Y688 HydrophobicContact CB-CE2 3.87Å; M647-Y688 WeakPolarHBondContact CB-OH 3.28Å; M647-Y688 HydrophobicContact CE-CD1 4.17Å; M647-Y688 HydrophobicContact CE-CD2 3.59Å; M647-Y688 HydrophobicContact CE-CE1 4.46Å; M647-Y688 HydrophobicContact CE-CE2 3.92Å; M647-Y688 HydrophobicContact CE-CG 3.72Å; M647-Y688 HydrophobicContact CG-CE2 4.07Å |
| 648 | D | 93.6 | Very high | 93.9 | Very high | 127 Ų | 127 | 40.9 Ų | 40.9 | 68% | 0.679 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -62.1 | -36.8 | 179.4 | -73.5 | -33.1 | 0 | 0 | 0 | 112.7 | Y646 | Y646-D648 VanDerWaalsContact C-N 3.33Å; Y646-D648 PolarHBondContact O-N 3.04Å |
| 649 | A | 94.4 | Very high | 93.9 | Very high | 54 Ų | 54 | 45.3 Ų | 45.3 | 45% | 0.446 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -81.1 | -32 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L612 Y646 M647 F653 | L612-A649 HydrophobicContact CD1-CB 4.28Å; Y646-A649 PolarHBondContact O-N 3.2Å; M647-A649 VanDerWaalsContact C-N 3.29Å; M647-A649 PolarHBondContact O-N 3.18Å; A649-F653 WeakPolarHBondContact O-CE2 3.33Å |
| 650 | F | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -85.2 | -31.7 | -175.2 | -178.8 | -116.8 | 0 | 0 | 0 | 113.7 | M608 L612 F615 L629 V632 F643 Y646 M647 P652 F653 L654 L673 | M608-F650 HydrophobicContact CE-CB 3.76Å; M608-F650 HydrophobicContact CE-CD2 3.37Å; M608-F650 HydrophobicContact CE-CE2 4.18Å; M608-F650 HydrophobicContact CE-CG 3.66Å; L612-F650 HydrophobicContact CD2-CB 4.44Å; L612-F650 HydrophobicContact CD2-CD2 4Å; F615-F650 AromaticContact CE2-CE2 3.98Å; F615-F650 HydrophobicContact CE2-CE2 3.98Å; F615-F650 HydrophobicContact CZ-CE2 4.48Å; L629-F650 HydrophobicContact CD2-CE2 4.49Å; L629-F650 HydrophobicContact CD2-CZ 3.98Å; V632-F650 HydrophobicContact CB-CZ 4.41Å; V632-F650 HydrophobicContact CG1-CE1 4.02Å; V632-F650 HydrophobicContact CG1-CE2 4.2Å; V632-F650 HydrophobicContact CG1-CZ 3.87Å; V632-F650 HydrophobicContact CG2-CE2 4.09Å; V632-F650 HydrophobicContact CG2-CZ 4.38Å; F643-F650 HydrophobicContact CE1-CD1 4.4Å; F643-F650 HydrophobicContact CZ-CD1 4.3Å; Y646-F650 WeakPolarHBondContact O-CB 3.28Å; Y646-F650 PolarHBondContact O-N 3.15Å; M647-F650 PolarHBondContact O-N 3.05Å; F650-P652 VanDerWaalsContact C-N 3.33Å; F650-P652 VanDerWaalsContact O-N 3.11Å; F650-F653 HydrophobicContact CD2-CB 4.16Å; F650-F653 HydrophobicContact CE2-CB 4.02Å; F650-F653 WeakPolarHBondContact O-CB 3.4Å; F650-F653 PolarHBondContact O-N 2.89Å; F650-L654 HydrophobicContact CD1-CB 4.39Å; F650-L654 HydrophobicContact CE1-CB 3.87Å; F650-L654 HydrophobicContact CE1-CD1 4.45Å; F650-L654 HydrophobicContact CZ-CB 4.23Å; F650-L654 PolarHBondContact O-N 3.34Å; F650-L673 HydrophobicContact CE1-CD2 3.51Å; F650-L673 HydrophobicContact CE1-CG 4.37Å; F650-L673 HydrophobicContact CZ-CD2 3.37Å |
| 651 | K | 93 | Very high | 93.4 | Very high | 63 Ų | 63 | 50.3 Ų | 50.3 | 27% | 0.274 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -45 | -44.9 | -176.7 | 175.9 | -171.1 | -178.1 | -171.5 | 0 | 114.8 | M647 F653 L654 A655 Y688 E691 | M647-K651 WeakPolarHBondContact O-CB 3.19Å; M647-K651 PolarHBondContact O-N 3.36Å; K651-F653 VanDerWaalsContact C-N 3.26Å; K651-F653 PolarHBondContact O-N 3.24Å; K651-L654 PolarHBondContact O-N 2.92Å; K651-A655 PolarHBondContact O-N 3.17Å; K651-Y688 HydrophobicContact CD-CD1 4.07Å; K651-E691 WeakPolarHBondContact CE-OE2 3.49Å; K651-E691 IonicContact NZ-OE2 2.72Å; K651-E691 PolarHBondContact NZ-OE2 3.03Å |
| 652 | P | 93.1 | Very high | 93.1 | Very high | 69 Ų | 69 | 51.1 Ų | 51.1 | 45% | 0.448 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.1 | -33.9 | 178.6 | -22.7 | 34.6 | 0 | 0 | 0 | 113.4 | F650 A655 I656 | F650-P652 VanDerWaalsContact C-N 3.33Å; F650-P652 VanDerWaalsContact O-N 3.11Å; P652-A655 PolarHBondContact O-N 3.17Å; P652-I656 VanDerWaalsContact O-CG1 3.27Å; P652-I656 WeakPolarHBondContact O-CG1 3.45Å; P652-I656 PolarHBondContact O-N 2.71Å |
| 653 | F | 92.9 | Very high | 92.9 | Very high | 33 Ų | 33 | 51.2 Ų | 51.2 | 15% | 0.145 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -75.5 | -39.8 | -179.7 | -58.9 | -73.5 | 0 | 0 | 0 | 111.7 | L612 F615 Q616 A649 F650 K651 A655 I656 G657 | L612-F653 HydrophobicContact CD2-CD2 3.5Å; L612-F653 VanDerWaalsContact CD2-CD2 3.5Å; L612-F653 HydrophobicContact CD2-CE2 3.58Å; L612-F653 HydrophobicContact CD2-CG 4.47Å; F615-F653 HydrophobicContact CB-CD1 3.42Å; F615-F653 VanDerWaalsContact CB-CD1 3.42Å; F615-F653 HydrophobicContact CB-CE1 3.75Å; F615-F653 HydrophobicContact CB-CG 4.08Å; F615-F653 HydrophobicContact CD2-CB 4.39Å; F615-F653 HydrophobicContact CD2-CG 4.41Å; F615-F653 HydrophobicContact CG-CB 4.4Å; F615-F653 HydrophobicContact CG-CD1 4.12Å; F615-F653 HydrophobicContact CG-CG 4.36Å; Q616-F653 HydrophobicContact CG-CE1 3.75Å; Q616-F653 HydrophobicContact CG-CZ 3.63Å; A649-F653 WeakPolarHBondContact O-CE2 3.33Å; F650-F653 HydrophobicContact CD2-CB 4.16Å; F650-F653 HydrophobicContact CE2-CB 4.02Å; F650-F653 WeakPolarHBondContact O-CB 3.4Å; F650-F653 PolarHBondContact O-N 2.89Å; K651-F653 VanDerWaalsContact C-N 3.26Å; K651-F653 PolarHBondContact O-N 3.24Å; F653-A655 VanDerWaalsContact C-N 3.29Å; F653-A655 PolarHBondContact O-N 3.49Å; F653-I656 HydrophobicContact CD1-CD1 4.39Å; F653-I656 PolarHBondContact O-N 3.27Å; F653-I656 VanDerWaalsContact O-N 3.17Å; F653-G657 PolarHBondContact O-N 3.42Å |
| 654 | L | 94.8 | Very high | 92.6 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.4 | -44.6 | 170.4 | -178.8 | 62.4 | 0 | 0 | 0 | 111.1 | F650 K651 I656 G657 L658 A670 L673 V674 L677 I692 | F650-L654 HydrophobicContact CD1-CB 4.39Å; F650-L654 HydrophobicContact CE1-CB 3.87Å; F650-L654 HydrophobicContact CE1-CD1 4.45Å; F650-L654 HydrophobicContact CZ-CB 4.23Å; F650-L654 PolarHBondContact O-N 3.34Å; K651-L654 PolarHBondContact O-N 2.92Å; L654-I656 VanDerWaalsContact C-N 3.33Å; L654-I656 PolarHBondContact O-N 3.26Å; L654-G657 PolarHBondContact O-N 2.91Å; L654-L658 HydrophobicContact CG-CD1 4.25Å; L654-L658 WeakPolarHBondContact O-CG 3.47Å; L654-L658 PolarHBondContact O-N 3.42Å; L654-A670 HydrophobicContact CD1-CB 4.39Å; L654-L673 HydrophobicContact CD1-CD2 4.15Å; L654-L673 HydrophobicContact CD1-CG 4.33Å; L654-V674 HydrophobicContact CD1-CG2 4.14Å; L654-V674 HydrophobicContact CD2-CG2 4.25Å; L654-L677 HydrophobicContact CD2-CD1 3.84Å; L654-I692 HydrophobicContact CD2-CD1 4.16Å; L654-I692 HydrophobicContact CD2-CG1 4.42Å |
| 655 | A | 93.8 | Very high | 92.5 | Very high | 9 Ų | 9 | 55.9 Ų | 55.9 | 7% | 0.074 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.1 | -33.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K651 P652 F653 K659 L695 | K651-A655 PolarHBondContact O-N 3.17Å; P652-A655 PolarHBondContact O-N 3.17Å; F653-A655 VanDerWaalsContact C-N 3.29Å; F653-A655 PolarHBondContact O-N 3.49Å; A655-K659 WeakPolarHBondContact O-CB 3.22Å; A655-K659 VanDerWaalsContact O-CG 3.23Å; A655-K659 WeakPolarHBondContact O-CG 3.13Å; A655-K659 PolarHBondContact O-N 3.2Å; A655-K659 VanDerWaalsContact O-N 3.09Å; A655-L695 HydrophobicContact CB-CD1 3.79Å |
| 656 | I | 91.6 | Very high | 92.4 | Very high | 93 Ų | 93 | 50.6 Ų | 50.6 | 48% | 0.477 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.3 | -47 | 173.2 | -71 | 162.5 | 0 | 0 | 0 | 110.2 | P652 F653 L654 L658 K659 N660 | P652-I656 VanDerWaalsContact O-CG1 3.27Å; P652-I656 WeakPolarHBondContact O-CG1 3.45Å; P652-I656 PolarHBondContact O-N 2.71Å; F653-I656 HydrophobicContact CD1-CD1 4.39Å; F653-I656 PolarHBondContact O-N 3.27Å; F653-I656 VanDerWaalsContact O-N 3.17Å; L654-I656 VanDerWaalsContact C-N 3.33Å; L654-I656 PolarHBondContact O-N 3.26Å; I656-L658 PolarHBondContact O-N 2.99Å; I656-K659 PolarHBondContact O-N 2.9Å; I656-K659 VanDerWaalsContact O-N 3.16Å; I656-N660 PolarHBondContact O-N 3.04Å |
| 657 | G | 92 | Very high | 92.3 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.9 | -46.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F653 L654 K659 N660 | F653-G657 PolarHBondContact O-N 3.42Å; L654-G657 PolarHBondContact O-N 2.91Å; G657-K659 VanDerWaalsContact C-N 3.29Å; G657-K659 PolarHBondContact O-N 3.34Å; G657-N660 PolarHBondContact O-N 3.44Å |
| 658 | L | 94 | Very high | 92.3 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.8 | -30.4 | 176.4 | -69 | 173.2 | 0 | 0 | 0 | 113.1 | L654 I656 A670 V671 V674 I692 L695 L696 N699 | L654-L658 HydrophobicContact CG-CD1 4.25Å; L654-L658 WeakPolarHBondContact O-CG 3.47Å; L654-L658 PolarHBondContact O-N 3.42Å; I656-L658 PolarHBondContact O-N 2.99Å; L658-A670 HydrophobicContact CD2-CB 3.92Å; L658-A670 HydrophobicContact CG-CB 4.07Å; L658-V671 HydrophobicContact CD2-CG2 3.71Å; L658-V674 HydrophobicContact CD1-CG2 4.23Å; L658-V674 HydrophobicContact CD2-CG2 4.46Å; L658-I692 HydrophobicContact CD1-CG2 4.47Å; L658-L695 HydrophobicContact CB-CB 4.2Å; L658-L695 HydrophobicContact CB-CD1 4.09Å; L658-L695 HydrophobicContact CD1-CB 4.32Å; L658-L695 HydrophobicContact CD1-CD1 4.1Å; L658-L696 HydrophobicContact CD2-CD2 3.93Å; L658-N699 PolarHBondContact O-ND2 3.15Å |
| 659 | K | 92.2 | Very high | 92.4 | Very high | 120 Ų | 120 | 46.4 Ų | 46.4 | 52% | 0.522 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -81 | -19.3 | 177 | -75.2 | 174.7 | -176.1 | 177.7 | 0 | 113.5 | A655 I656 G657 Y661 L695 | A655-K659 WeakPolarHBondContact O-CB 3.22Å; A655-K659 VanDerWaalsContact O-CG 3.23Å; A655-K659 WeakPolarHBondContact O-CG 3.13Å; A655-K659 PolarHBondContact O-N 3.2Å; A655-K659 VanDerWaalsContact O-N 3.09Å; I656-K659 PolarHBondContact O-N 2.9Å; I656-K659 VanDerWaalsContact O-N 3.16Å; G657-K659 VanDerWaalsContact C-N 3.29Å; G657-K659 PolarHBondContact O-N 3.34Å; K659-Y661 WeakPolarHBondContact O-CD1 2.99Å; K659-Y661 PolarHBondContact O-N 3.09Å; K659-L695 HydrophobicContact CD-CD2 4.23Å; K659-L695 HydrophobicContact CG-CD2 3.87Å |
| 660 | N | 89.3 | Confident | 92.5 | Very high | 37 Ų | 37 | 43.8 Ų | 43.8 | 20% | 0.198 | 23% | 0.225 | C | C | . | . | trans | -82.2 | 62.1 | -177 | -169.2 | 9.2 | 0 | 0 | 0 | 111.2 | I656 G657 A662 E663 | I656-N660 PolarHBondContact O-N 3.04Å; G657-N660 PolarHBondContact O-N 3.44Å; N660-A662 PolarHBondContact O-N 2.84Å; N660-E663 PolarHBondContact ND2-OE2 2.93Å; N660-E663 CarbonylContact O-C 2.93Å; N660-E663 PolarHBondContact O-N 2.89Å; N660-E663 PolarHBondContact OD1-N 3.33Å | ||
| 661 | Y | 87.1 | Confident | 92.5 | Very high | 90 Ų | 90 | 43.9 Ų | 43.9 | 35% | 0.353 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -14.2 | 178.6 | 65 | -98.8 | 0 | 0 | 0 | 113.6 | K659 N702 N704 V705 | K659-Y661 WeakPolarHBondContact O-CD1 2.99Å; K659-Y661 PolarHBondContact O-N 3.09Å; Y661-N702 WeakPolarHBondContact CE1-ND2 3.42Å; Y661-N702 WeakPolarHBondContact CE2-ND2 3.47Å; Y661-N702 VanDerWaalsContact CZ-ND2 3.26Å; Y661-N704 HydrophobicContact CE2-CB 4.35Å; Y661-V705 HydrophobicContact CD2-CG2 4.12Å; Y661-V705 HydrophobicContact CG-CG2 3.95Å |
| 662 | A | 86.6 | Confident | 92.7 | Very high | 86 Ų | 86 | 42.2 Ų | 42.2 | 71% | 0.711 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -35.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N660 | N660-A662 PolarHBondContact O-N 2.84Š|
| 663 | E | 89.2 | Confident | 92.9 | Very high | 73 Ų | 73 | 39 Ų | 39 | 34% | 0.341 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -102.5 | 83.2 | 169.2 | -66.7 | -178.8 | 156.4 | 0 | 0 | 108.7 | G622 N660 Q665 V666 C667 | G622-E663 VanDerWaalsContact CA-CD 3.47Å; G622-E663 WeakPolarHBondContact CA-OE2 3.4Å; G622-E663 PolarHBondContact N-OE1 3.32Å; G622-E663 PolarHBondContact N-OE2 2.88Å; N660-E663 PolarHBondContact ND2-OE2 2.93Å; N660-E663 CarbonylContact O-C 2.93Å; N660-E663 PolarHBondContact O-N 2.89Å; N660-E663 PolarHBondContact OD1-N 3.33Å; E663-Q665 PolarHBondContact O-N 3.35Å; E663-Q665 VanDerWaalsContact O-N 3.09Å; E663-V666 HydrophobicContact CB-CB 4.41Å; E663-V666 HydrophobicContact CB-CG2 4.03Å; E663-V666 WeakPolarHBondContact O-CB 3.33Å; E663-V666 PolarHBondContact O-N 2.97Å; E663-C667 PolarHBondContact O-N 3.3Å |
| 664 | Y | 90.8 | Very high | 93.1 | Very high | 86 Ų | 86 | 37.4 Ų | 37.4 | 34% | 0.337 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -57.8 | -30.7 | -169.7 | 75.1 | -90.1 | 0 | 0 | 0 | 113.8 | V666 C667 L668 H706 | Y664-V666 PolarHBondContact O-N 3.48Å; Y664-C667 WeakPolarHBondContact O-CB 3.31Å; Y664-C667 PolarHBondContact O-N 2.89Å; Y664-L668 HydrophobicContact CD2-CD1 3.79Å; Y664-L668 HydrophobicContact CD2-CG 4.42Å; Y664-L668 HydrophobicContact CE2-CD1 4.13Å; Y664-L668 WeakPolarHBondContact O-CB 3.4Å; Y664-L668 VanDerWaalsContact O-CG 3.3Å; Y664-L668 WeakPolarHBondContact O-CG 3.5Å; Y664-L668 PolarHBondContact O-N 2.82Å; Y664-H706 HydrophobicContact CD1-CB 4.18Å; Y664-H706 AromaticContact CD1-CG 4Å; Y664-H706 HydrophobicContact CD2-CB 4.44Å; Y664-H706 AromaticContact CD2-ND1 3.88Å; Y664-H706 HydrophobicContact CG-CB 3.8Å; Y664-H706 AromaticContact CG-CG 3.83Å |
| 665 | Q | 92.3 | Very high | 93.2 | Very high | 93 Ų | 93 | 37.7 Ų | 37.7 | 44% | 0.435 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.4 | -41.8 | 175.4 | -71.7 | 176.6 | -34.2 | 0 | 0 | 112.6 | E626 E663 C667 L668 A669 | E626-Q665 WeakPolarHBondContact OE2-CB 3.08Å; E663-Q665 PolarHBondContact O-N 3.35Å; E663-Q665 VanDerWaalsContact O-N 3.09Å; Q665-C667 VanDerWaalsContact C-N 3.35Å; Q665-L668 WeakPolarHBondContact O-CB 3.42Å; Q665-L668 PolarHBondContact O-N 2.94Å; Q665-A669 PolarHBondContact O-N 2.96Å |
| 666 | V | 93.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.9 | -41.6 | 175.5 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | G622 Q625 E626 L629 E663 Y664 L668 A669 A670 | G622-V666 VanDerWaalsContact O-CG2 3.24Å; G622-V666 WeakPolarHBondContact O-CG2 3.42Å; Q625-V666 HydrophobicContact CB-CG1 3.93Å; Q625-V666 HydrophobicContact CB-CG2 4.1Å; E626-V666 HydrophobicContact CB-CG2 4.47Å; L629-V666 HydrophobicContact CD1-CG1 3.93Å; E663-V666 HydrophobicContact CB-CB 4.41Å; E663-V666 HydrophobicContact CB-CG2 4.03Å; E663-V666 WeakPolarHBondContact O-CB 3.33Å; E663-V666 PolarHBondContact O-N 2.97Å; Y664-V666 PolarHBondContact O-N 3.48Å; V666-L668 VanDerWaalsContact C-N 3.33Å; V666-A669 PolarHBondContact O-N 3.16Å; V666-A670 WeakPolarHBondContact O-CB 3.18Å; V666-A670 PolarHBondContact O-N 2.85Å |
| 667 | C | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.6 | -40.1 | 176.1 | -170.4 | 0 | 0 | 0 | 0 | 111.5 | E663 Y664 Q665 A670 V671 | E663-C667 PolarHBondContact O-N 3.3Å; Y664-C667 WeakPolarHBondContact O-CB 3.31Å; Y664-C667 PolarHBondContact O-N 2.89Å; Q665-C667 VanDerWaalsContact C-N 3.35Å; C667-A670 PolarHBondContact O-N 2.72Å; C667-V671 VanDerWaalsContact O-CG2 3.29Å; C667-V671 WeakPolarHBondContact O-CG2 3.46Å; C667-V671 PolarHBondContact O-N 3.4Å |
| 668 | L | 94.7 | Very high | 93.8 | Very high | 44 Ų | 44 | 33.9 Ų | 33.9 | 23% | 0.23 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.2 | -49.8 | 175.5 | -76.8 | 179.4 | 0 | 0 | 0 | 111.7 | Y664 Q665 V666 A670 V671 G672 V709 Q712 | Y664-L668 HydrophobicContact CD2-CD1 3.79Å; Y664-L668 HydrophobicContact CD2-CG 4.42Å; Y664-L668 HydrophobicContact CE2-CD1 4.13Å; Y664-L668 WeakPolarHBondContact O-CB 3.4Å; Y664-L668 VanDerWaalsContact O-CG 3.3Å; Y664-L668 WeakPolarHBondContact O-CG 3.5Å; Y664-L668 PolarHBondContact O-N 2.82Å; Q665-L668 WeakPolarHBondContact O-CB 3.42Å; Q665-L668 PolarHBondContact O-N 2.94Å; V666-L668 VanDerWaalsContact C-N 3.33Å; L668-A670 VanDerWaalsContact C-N 3.26Å; L668-A670 PolarHBondContact O-N 3.05Å; L668-V671 PolarHBondContact O-N 3.32Å; L668-V671 VanDerWaalsContact O-N 3.14Å; L668-G672 PolarHBondContact O-N 3.14Å; L668-V709 HydrophobicContact CD2-CB 4.41Å; L668-V709 HydrophobicContact CD2-CG2 4.17Å; L668-V709 HydrophobicContact CG-CG2 4.26Å; L668-Q712 HydrophobicContact CD2-CB 3.97Å; L668-Q712 HydrophobicContact CD2-CG 3.61Å |
| 669 | A | 95 | Very high | 93.8 | Very high | 14 Ų | 14 | 40.3 Ų | 40.3 | 12% | 0.116 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.7 | -38 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | E626 L629 M630 Q665 V666 L673 | E626-A669 HydrophobicContact CG-CB 4.15Å; L629-A669 HydrophobicContact CB-CB 3.93Å; L629-A669 HydrophobicContact CD1-CB 4.12Å; M630-A669 HydrophobicContact CG-CB 4.39Å; Q665-A669 PolarHBondContact O-N 2.96Å; V666-A669 PolarHBondContact O-N 3.16Å; A669-L673 VanDerWaalsContact O-CB 3.3Å; A669-L673 WeakPolarHBondContact O-CB 3.23Å; A669-L673 PolarHBondContact O-N 3.15Å |
| 670 | A | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.6 | -39.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L629 L654 L658 V666 C667 L668 L673 V674 | L629-A670 HydrophobicContact CD1-CB 4.02Å; L654-A670 HydrophobicContact CD1-CB 4.39Å; L658-A670 HydrophobicContact CD2-CB 3.92Å; L658-A670 HydrophobicContact CG-CB 4.07Å; V666-A670 WeakPolarHBondContact O-CB 3.18Å; V666-A670 PolarHBondContact O-N 2.85Å; C667-A670 PolarHBondContact O-N 2.72Å; L668-A670 VanDerWaalsContact C-N 3.26Å; L668-A670 PolarHBondContact O-N 3.05Å; A670-L673 PolarHBondContact O-N 2.98Å; A670-V674 WeakPolarHBondContact O-CG2 3.47Å; A670-V674 PolarHBondContact O-N 3.28Å; A670-V674 VanDerWaalsContact O-N 3.14Å |
| 671 | V | 96.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.5 | -45.4 | 175.4 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | L658 C667 L668 L673 V674 C675 L696 Q712 I713 A716 | L658-V671 HydrophobicContact CD2-CG2 3.71Å; C667-V671 VanDerWaalsContact O-CG2 3.29Å; C667-V671 WeakPolarHBondContact O-CG2 3.46Å; C667-V671 PolarHBondContact O-N 3.4Å; L668-V671 PolarHBondContact O-N 3.32Å; L668-V671 VanDerWaalsContact O-N 3.14Å; V671-L673 VanDerWaalsContact C-N 3.29Å; V671-L673 PolarHBondContact O-N 3.24Å; V671-V674 VanDerWaalsContact O-CB 3.31Å; V671-V674 WeakPolarHBondContact O-CB 3.29Å; V671-V674 PolarHBondContact O-N 3.24Å; V671-C675 PolarHBondContact O-N 3.33Å; V671-L696 HydrophobicContact CG2-CD2 3.93Å; V671-Q712 HydrophobicContact CG1-CB 4.07Å; V671-Q712 WeakPolarHBondContact CG1-O 3.25Å; V671-I713 HydrophobicContact CG1-CG1 4.31Å; V671-I713 HydrophobicContact CG2-CG1 3.87Å; V671-A716 HydrophobicContact CG1-CB 3.88Å |
| 672 | G | 96.1 | Very high | 94.6 | Very high | 29 Ų | 29 | 35.5 Ų | 35.5 | 30% | 0.299 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -57.9 | -42.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L668 V674 C675 D676 | L668-G672 PolarHBondContact O-N 3.14Å; G672-V674 VanDerWaalsContact C-N 3.28Å; G672-V674 PolarHBondContact O-N 3.05Å; G672-C675 WeakPolarHBondContact O-CA 3.47Å; G672-C675 VanDerWaalsContact O-CB 3.23Å; G672-C675 WeakPolarHBondContact O-CB 3.46Å; G672-C675 PolarHBondContact O-N 3.28Å; G672-D676 PolarHBondContact O-N 3.5Å |
| 673 | L | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63 | -31.7 | 174.9 | 179.2 | 57.8 | 0 | 0 | 0 | 113.2 | L629 V632 S633 V636 F650 L654 A669 A670 V671 C675 D676 L677 | L629-L673 HydrophobicContact CD2-CD2 3.75Å; V632-L673 HydrophobicContact CB-CD1 4.47Å; V632-L673 HydrophobicContact CB-CD2 4.17Å; V632-L673 HydrophobicContact CG1-CD1 3.97Å; V632-L673 HydrophobicContact CG1-CD2 3.94Å; S633-L673 WeakPolarHBondContact OG-CA 3.44Å; S633-L673 WeakPolarHBondContact OG-CB 3.31Å; S633-L673 VanDerWaalsContact OG-CD1 3.29Å; S633-L673 WeakPolarHBondContact OG-CD1 3.41Å; V636-L673 HydrophobicContact CG2-CD1 4.01Å; F650-L673 HydrophobicContact CE1-CD2 3.51Å; F650-L673 HydrophobicContact CE1-CG 4.37Å; F650-L673 HydrophobicContact CZ-CD2 3.37Å; L654-L673 HydrophobicContact CD1-CD2 4.15Å; L654-L673 HydrophobicContact CD1-CG 4.33Å; A669-L673 VanDerWaalsContact O-CB 3.3Å; A669-L673 WeakPolarHBondContact O-CB 3.23Å; A669-L673 PolarHBondContact O-N 3.15Å; A670-L673 PolarHBondContact O-N 2.98Å; V671-L673 VanDerWaalsContact C-N 3.29Å; V671-L673 PolarHBondContact O-N 3.24Å; L673-C675 VanDerWaalsContact C-N 3.32Å; L673-D676 PolarHBondContact O-N 3.02Å; L673-L677 HydrophobicContact CD1-CD1 4.45Å; L673-L677 HydrophobicContact CD1-CG 4.19Å; L673-L677 HydrophobicContact CG-CD1 4.2Å; L673-L677 HydrophobicContact CG-CG 4.43Å; L673-L677 WeakPolarHBondContact O-CB 3.45Å; L673-L677 WeakPolarHBondContact O-CG 3.48Å; L673-L677 PolarHBondContact O-N 2.84Å |
| 674 | V | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.8 | -43.3 | 171 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | L654 L658 A670 V671 G672 L677 C678 I692 I720 | L654-V674 HydrophobicContact CD1-CG2 4.14Å; L654-V674 HydrophobicContact CD2-CG2 4.25Å; L658-V674 HydrophobicContact CD1-CG2 4.23Å; L658-V674 HydrophobicContact CD2-CG2 4.46Å; A670-V674 WeakPolarHBondContact O-CG2 3.47Å; A670-V674 PolarHBondContact O-N 3.28Å; A670-V674 VanDerWaalsContact O-N 3.14Å; V671-V674 VanDerWaalsContact O-CB 3.31Å; V671-V674 WeakPolarHBondContact O-CB 3.29Å; V671-V674 PolarHBondContact O-N 3.24Å; G672-V674 VanDerWaalsContact C-N 3.28Å; G672-V674 PolarHBondContact O-N 3.05Å; V674-L677 PolarHBondContact O-N 2.76Å; V674-C678 PolarHBondContact O-N 3.29Å; V674-C678 PolarHBondContact O-SG 2.96Å; V674-I692 HydrophobicContact CB-CG2 4.49Å; V674-I692 HydrophobicContact CG1-CG2 3.73Å; V674-I692 HydrophobicContact CG2-CG2 3.84Å; V674-I720 HydrophobicContact CG1-CD1 4Å; V674-I720 HydrophobicContact CG1-CG1 4.15Å |
| 675 | C | 96.4 | Very high | 95.4 | Very high | 11 Ų | 11 | 30.7 Ų | 30.7 | 7% | 0.074 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.1 | -45.6 | 176.2 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | V671 G672 L673 L677 C678 R679 A716 D719 | V671-C675 PolarHBondContact O-N 3.33Å; G672-C675 WeakPolarHBondContact O-CA 3.47Å; G672-C675 VanDerWaalsContact O-CB 3.23Å; G672-C675 WeakPolarHBondContact O-CB 3.46Å; G672-C675 PolarHBondContact O-N 3.28Å; L673-C675 VanDerWaalsContact C-N 3.32Å; C675-L677 PolarHBondContact O-N 3.34Å; C675-C678 WeakPolarHBondContact O-CB 3.45Å; C675-C678 PolarHBondContact O-N 2.92Å; C675-R679 WeakPolarHBondContact O-CG 3.34Å; C675-R679 PolarHBondContact O-N 3.22Å; C675-A716 VanDerWaalsContact SG-CA 3.57Å; C675-A716 VanDerWaalsContact SG-CB 3.59Å; C675-D719 HydrophobicContact CB-CB 4.33Å; C675-D719 WeakPolarHBondContact CB-OD2 3.03Å; C675-D719 PolarHBondContact SG-OD2 2.95Å |
| 676 | D | 96.6 | Very high | 95.5 | Very high | 22 Ų | 22 | 29.5 Ų | 29.5 | 12% | 0.118 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.1 | -40.9 | 179.2 | -59 | -32.3 | 0 | 0 | 0 | 111.9 | S633 V636 G672 L673 C678 R679 A680 | S633-D676 WeakPolarHBondContact CB-OD2 3.43Å; S633-D676 PolarHBondContact OG-OD2 2.97Å; V636-D676 HydrophobicContact CG1-CB 4.16Å; G672-D676 PolarHBondContact O-N 3.5Å; L673-D676 PolarHBondContact O-N 3.02Å; D676-C678 VanDerWaalsContact C-N 3.31Å; D676-C678 PolarHBondContact O-N 3.21Å; D676-R679 PolarHBondContact O-N 3.22Å; D676-R679 IonicContact OD1-NH1 3.45Å; D676-R679 PolarHBondContact OD1-NH1 3.08Å; D676-R679 VanDerWaalsContact OD1-NH1 3.16Å; D676-A680 VanDerWaalsContact O-CB 3.25Å; D676-A680 WeakPolarHBondContact O-CB 3.41Å; D676-A680 PolarHBondContact O-N 3.01Å |
| 677 | L | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62 | -38.4 | 173.5 | -72.5 | 170.6 | 0 | 0 | 0 | 112 | V636 F643 M647 L654 L673 V674 C675 L681 I685 | V636-L677 HydrophobicContact CG1-CD2 3.96Å; V636-L677 HydrophobicContact CG1-CG 4.43Å; V636-L677 HydrophobicContact CG2-CD2 3.66Å; V636-L677 HydrophobicContact CG2-CG 4.39Å; F643-L677 HydrophobicContact CD1-CD2 3.65Å; F643-L677 HydrophobicContact CE1-CD2 3.6Å; M647-L677 HydrophobicContact CE-CD1 4.33Å; M647-L677 HydrophobicContact SD-CD1 4.18Å; M647-L677 HydrophobicContact SD-CD2 3.73Å; L654-L677 HydrophobicContact CD2-CD1 3.84Å; L673-L677 HydrophobicContact CD1-CD1 4.45Å; L673-L677 HydrophobicContact CD1-CG 4.19Å; L673-L677 HydrophobicContact CG-CD1 4.2Å; L673-L677 HydrophobicContact CG-CG 4.43Å; L673-L677 WeakPolarHBondContact O-CB 3.45Å; L673-L677 WeakPolarHBondContact O-CG 3.48Å; L673-L677 PolarHBondContact O-N 2.84Å; V674-L677 PolarHBondContact O-N 2.76Å; C675-L677 PolarHBondContact O-N 3.34Å; L677-L681 HydrophobicContact CD2-CD1 4.1Å; L677-L681 VanDerWaalsContact O-CB 3.25Å; L677-L681 WeakPolarHBondContact O-CB 3.5Å; L677-L681 WeakPolarHBondContact O-CG 3.25Å; L677-L681 PolarHBondContact O-N 3.19Å; L677-I685 HydrophobicContact CB-CD1 3.81Å |
| 678 | C | 96.7 | Very high | 95.7 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.02 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.5 | -46.1 | 175.8 | -70.4 | 0 | 0 | 0 | 0 | 111 | V674 C675 D676 Q682 I685 D719 I720 A723 | V674-C678 PolarHBondContact O-N 3.29Å; V674-C678 PolarHBondContact O-SG 2.96Å; C675-C678 WeakPolarHBondContact O-CB 3.45Å; C675-C678 PolarHBondContact O-N 2.92Å; D676-C678 VanDerWaalsContact C-N 3.31Å; D676-C678 PolarHBondContact O-N 3.21Å; C678-Q682 VanDerWaalsContact O-CA 3.27Å; C678-Q682 WeakPolarHBondContact O-CA 3.44Å; C678-Q682 PolarHBondContact O-N 3.48Å; C678-I685 HydrophobicContact CB-CD1 4.49Å; C678-D719 HydrophobicContact CB-CB 4.12Å; C678-I720 VanDerWaalsContact SG-CG1 3.5Å; C678-A723 HydrophobicContact CB-CB 3.81Å |
| 679 | R | 95 | Very high | 95.7 | Very high | 137 Ų | 137 | 33.1 Ų | 33.1 | 52% | 0.517 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -67.6 | -40.9 | 180 | -64.7 | 166.4 | -165.7 | 146.4 | -2.1 | 112.1 | C675 D676 D719 | C675-R679 WeakPolarHBondContact O-CG 3.34Å; C675-R679 PolarHBondContact O-N 3.22Å; D676-R679 PolarHBondContact O-N 3.22Å; D676-R679 IonicContact OD1-NH1 3.45Å; D676-R679 PolarHBondContact OD1-NH1 3.08Å; D676-R679 VanDerWaalsContact OD1-NH1 3.16Å; R679-D719 IonicContact CZ-OD1 3.33Å; R679-D719 IonicContact CZ-OD2 2.87Å; R679-D719 IonicContact NE-OD1 3.13Å; R679-D719 PolarHBondContact NE-OD1 3.17Å; R679-D719 IonicContact NE-OD2 3.45Å; R679-D719 IonicContact NH2-OD1 2.75Å; R679-D719 PolarHBondContact NH2-OD1 3.19Å; R679-D719 IonicContact NH2-OD2 3.72Å; R679-D719 PolarHBondContact NH2-OD2 3.29Å |
| 680 | A | 95.3 | Very high | 95.7 | Very high | 17 Ų | 17 | 36.6 Ų | 36.6 | 14% | 0.14 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -76.4 | -44.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V636 G640 S641 D676 | V636-A680 HydrophobicContact CG1-CB 3.39Å; G640-A680 CarbonylContact C-O 3.53Å; S641-A680 PolarHBondContact N-O 3.08Å; D676-A680 VanDerWaalsContact O-CB 3.25Å; D676-A680 WeakPolarHBondContact O-CB 3.41Å; D676-A680 PolarHBondContact O-N 3.01Å |
| 681 | L | 95.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -91 | -22.6 | -175.3 | -58.2 | -178.1 | 0 | 0 | 0 | 112.8 | F643 Q644 M647 L677 S683 N684 I685 | F643-L681 HydrophobicContact CB-CD2 4.43Å; Q644-L681 HydrophobicContact CB-CD2 4.04Å; M647-L681 HydrophobicContact CE-CD1 4.32Å; M647-L681 HydrophobicContact CG-CD1 3.77Å; M647-L681 HydrophobicContact SD-CD1 3.91Å; L677-L681 HydrophobicContact CD2-CD1 4.1Å; L677-L681 VanDerWaalsContact O-CB 3.25Å; L677-L681 WeakPolarHBondContact O-CB 3.5Å; L677-L681 WeakPolarHBondContact O-CG 3.25Å; L677-L681 PolarHBondContact O-N 3.19Å; L681-S683 PolarHBondContact O-N 3.36Å; L681-N684 HydrophobicContact CB-CB 4.26Å; L681-N684 VanDerWaalsContact O-CB 3.27Å; L681-N684 WeakPolarHBondContact O-CB 3.32Å; L681-N684 PolarHBondContact O-N 2.7Å; L681-N684 PolarHBondContact O-ND2 2.97Å; L681-I685 HydrophobicContact CB-CB 4.17Å; L681-I685 HydrophobicContact CD1-CB 4.48Å; L681-I685 HydrophobicContact CD1-CG1 4.48Å |
| 682 | Q | 93.9 | Very high | 95.7 | Very high | 126 Ų | 126 | 40.2 Ų | 40.2 | 59% | 0.589 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | 49.6 | -132.3 | -175.6 | -56.1 | 179.4 | -13.4 | 0 | 0 | 110 | C678 N684 I685 A723 | C678-Q682 VanDerWaalsContact O-CA 3.27Å; C678-Q682 WeakPolarHBondContact O-CA 3.44Å; C678-Q682 PolarHBondContact O-N 3.48Å; Q682-N684 PolarHBondContact O-N 3.32Å; Q682-I685 WeakPolarHBondContact O-CG2 3.46Å; Q682-I685 PolarHBondContact O-N 2.95Å; Q682-A723 CarbonylContact C-O 3.41Å |
| 683 | S | 93.3 | Very high | 95.7 | Very high | 77 Ų | 77 | 38.9 Ų | 38.9 | 54% | 0.538 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -54.2 | -20.8 | 178.4 | 62.5 | 0 | 0 | 0 | 0 | 115.4 | L681 I685 L686 A723 | L681-S683 PolarHBondContact O-N 3.36Å; S683-I685 PolarHBondContact O-N 3.11Å; S683-L686 VanDerWaalsContact O-CB 3.31Å; S683-L686 WeakPolarHBondContact O-CB 3.48Å; S683-L686 PolarHBondContact O-N 3.34Å; S683-A723 WeakPolarHBondContact CA-O 3.32Å; S683-A723 PolarHBondContact N-O 3.34Å |
| 684 | N | 94.7 | Very high | 95.7 | Very high | 66 Ų | 66 | 44.2 Ų | 44.2 | 35% | 0.353 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -71.8 | -11.5 | 177.6 | -63.6 | -48.5 | 0 | 0 | 0 | 113.6 | L681 Q682 L686 P687 | L681-N684 HydrophobicContact CB-CB 4.26Å; L681-N684 VanDerWaalsContact O-CB 3.27Å; L681-N684 WeakPolarHBondContact O-CB 3.32Å; L681-N684 PolarHBondContact O-N 2.7Å; L681-N684 PolarHBondContact O-ND2 2.97Å; Q682-N684 PolarHBondContact O-N 3.32Å; N684-L686 VanDerWaalsContact C-N 3.29Å; N684-P687 VanDerWaalsContact O-CD 3.29Å; N684-P687 WeakPolarHBondContact O-CD 3.42Å |
| 685 | I | 95.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -76.4 | -17.5 | 174.9 | -159.2 | 170.7 | 0 | 0 | 0 | 113.1 | L677 C678 L681 Q682 S683 P687 Y688 C689 A723 I724 | L677-I685 HydrophobicContact CB-CD1 3.81Å; C678-I685 HydrophobicContact CB-CD1 4.49Å; L681-I685 HydrophobicContact CB-CB 4.17Å; L681-I685 HydrophobicContact CD1-CB 4.48Å; L681-I685 HydrophobicContact CD1-CG1 4.48Å; Q682-I685 WeakPolarHBondContact O-CG2 3.46Å; Q682-I685 PolarHBondContact O-N 2.95Å; S683-I685 PolarHBondContact O-N 3.11Å; I685-P687 VanDerWaalsContact C-N 3.32Å; I685-P687 WeakPolarHBondContact O-CD 3.43Å; I685-P687 VanDerWaalsContact O-N 3.08Å; I685-Y688 HydrophobicContact CG1-CD2 4.46Å; I685-Y688 WeakPolarHBondContact O-CB 3.3Å; I685-Y688 WeakPolarHBondContact O-CD2 3.24Å; I685-Y688 PolarHBondContact O-N 3.37Å; I685-C689 PolarHBondContact O-N 2.66Å; I685-C689 PolarHBondContact O-SG 3.44Å; I685-A723 HydrophobicContact CG2-CB 4.03Å; I685-I724 HydrophobicContact CG2-CG2 3.85Å |
| 686 | L | 94.3 | Very high | 95.6 | Very high | 68 Ų | 68 | 44 Ų | 44 | 36% | 0.356 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -46 | -42.9 | -174.6 | -179.1 | 66.1 | 0 | 0 | 0 | 115 | S683 N684 Y688 C689 I724 E727 | S683-L686 VanDerWaalsContact O-CB 3.31Å; S683-L686 WeakPolarHBondContact O-CB 3.48Å; S683-L686 PolarHBondContact O-N 3.34Å; N684-L686 VanDerWaalsContact C-N 3.29Å; L686-Y688 PolarHBondContact O-N 3.29Å; L686-Y688 VanDerWaalsContact O-N 3.11Å; L686-C689 PolarHBondContact O-N 2.86Å; L686-I724 HydrophobicContact CB-CG2 4.35Å; L686-I724 HydrophobicContact CD1-CB 4.19Å; L686-I724 HydrophobicContact CD1-CD1 4.38Å; L686-I724 HydrophobicContact CD1-CG2 4.14Å; L686-E727 HydrophobicContact CD1-CB 3.65Å; L686-E727 HydrophobicContact CD1-CG 3.94Å; L686-E727 HydrophobicContact CD2-CG 3.98Å |
| 687 | P | 95.6 | Very high | 95.5 | Very high | 97 Ų | 97 | 45.1 Ų | 45.1 | 63% | 0.63 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -62.9 | -18.3 | 179.7 | -22.1 | 35.1 | 0 | 0 | 0 | 114.6 | N684 I685 | N684-P687 VanDerWaalsContact O-CD 3.29Å; N684-P687 WeakPolarHBondContact O-CD 3.42Å; I685-P687 VanDerWaalsContact C-N 3.32Å; I685-P687 WeakPolarHBondContact O-CD 3.43Å; I685-P687 VanDerWaalsContact O-N 3.08Å |
| 688 | Y | 95.6 | Very high | 95.3 | Very high | 24 Ų | 24 | 49.8 Ų | 49.8 | 9% | 0.094 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -103.4 | -17.5 | -175.4 | -47.7 | -72.4 | 0 | 0 | 0 | 112.7 | M647 K651 I685 L686 D690 E691 I692 | M647-Y688 HydrophobicContact CB-CE1 4.08Å; M647-Y688 HydrophobicContact CB-CE2 3.87Å; M647-Y688 WeakPolarHBondContact CB-OH 3.28Å; M647-Y688 HydrophobicContact CE-CD1 4.17Å; M647-Y688 HydrophobicContact CE-CD2 3.59Å; M647-Y688 HydrophobicContact CE-CE1 4.46Å; M647-Y688 HydrophobicContact CE-CE2 3.92Å; M647-Y688 HydrophobicContact CE-CG 3.72Å; M647-Y688 HydrophobicContact CG-CE2 4.07Å; K651-Y688 HydrophobicContact CD-CD1 4.07Å; I685-Y688 HydrophobicContact CG1-CD2 4.46Å; I685-Y688 WeakPolarHBondContact O-CB 3.3Å; I685-Y688 WeakPolarHBondContact O-CD2 3.24Å; I685-Y688 PolarHBondContact O-N 3.37Å; L686-Y688 PolarHBondContact O-N 3.29Å; L686-Y688 VanDerWaalsContact O-N 3.11Å; Y688-D690 VanDerWaalsContact C-N 3.33Å; Y688-D690 PolarHBondContact O-N 2.94Å; Y688-E691 PolarHBondContact O-N 2.94Å; Y688-I692 WeakPolarHBondContact O-CG1 3.28Å; Y688-I692 PolarHBondContact O-N 3.5Å |
| 689 | C | 95.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.7 | -36.4 | -174.4 | -69.8 | 0 | 0 | 0 | 0 | 114 | I685 L686 E691 I692 M693 | I685-C689 PolarHBondContact O-N 2.66Å; I685-C689 PolarHBondContact O-SG 3.44Å; L686-C689 PolarHBondContact O-N 2.86Å; C689-E691 VanDerWaalsContact C-N 3.3Å; C689-E691 PolarHBondContact O-N 2.99Å; C689-I692 PolarHBondContact O-N 3.35Å; C689-M693 VanDerWaalsContact O-CB 3.25Å; C689-M693 WeakPolarHBondContact O-CB 3.13Å; C689-M693 VanDerWaalsContact O-CG 3.26Å; C689-M693 WeakPolarHBondContact O-CG 3.43Å; C689-M693 PolarHBondContact O-N 2.97Å |
| 690 | D | 95.1 | Very high | 94.8 | Very high | 86 Ų | 86 | 45.1 Ų | 45.1 | 46% | 0.46 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -55.9 | -45.5 | -179.2 | -81.5 | 12 | 0 | 0 | 0 | 112.1 | Y688 Q694 K730 Y731 | Y688-D690 VanDerWaalsContact C-N 3.33Å; Y688-D690 PolarHBondContact O-N 2.94Å; D690-Q694 WeakPolarHBondContact O-CB 3.35Å; D690-Q694 PolarHBondContact O-N 3.34Å; D690-K730 IonicContact OD1-NZ 2.69Å; D690-K730 PolarHBondContact OD1-NZ 3.3Å; D690-K730 IonicContact OD2-NZ 2.75Å; D690-K730 PolarHBondContact OD2-NZ 3.06Å; D690-Y731 VanDerWaalsContact CA-OH 3.32Å; D690-Y731 WeakPolarHBondContact CA-OH 3.31Å; D690-Y731 PolarHBondContact N-OH 3.3Å; D690-Y731 PolarHBondContact OD1-OH 2.83Å |
| 691 | E | 95.7 | Very high | 94.4 | Very high | 68 Ų | 68 | 47.5 Ų | 47.5 | 32% | 0.318 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -75.8 | -41.3 | -179.2 | -174 | 169 | 158.8 | 0 | 0 | 111.5 | K651 Y688 C689 Q694 L695 | K651-E691 WeakPolarHBondContact CE-OE2 3.49Å; K651-E691 IonicContact NZ-OE2 2.72Å; K651-E691 PolarHBondContact NZ-OE2 3.03Å; Y688-E691 PolarHBondContact O-N 2.94Å; C689-E691 VanDerWaalsContact C-N 3.3Å; C689-E691 PolarHBondContact O-N 2.99Å; E691-Q694 PolarHBondContact O-N 3.21Å; E691-L695 HydrophobicContact CG-CD1 4.5Å; E691-L695 WeakPolarHBondContact O-CG 3.46Å; E691-L695 PolarHBondContact O-N 3.19Å; E691-L695 VanDerWaalsContact O-N 3.11Å |
| 692 | I | 96.6 | Very high | 94 | Very high | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.051 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.3 | -50.9 | 177.2 | -66.2 | 169.6 | 0 | 0 | 0 | 110.1 | L654 L658 V674 Y688 C689 Q694 L695 L696 I720 | L654-I692 HydrophobicContact CD2-CD1 4.16Å; L654-I692 HydrophobicContact CD2-CG1 4.42Å; L658-I692 HydrophobicContact CD1-CG2 4.47Å; V674-I692 HydrophobicContact CB-CG2 4.49Å; V674-I692 HydrophobicContact CG1-CG2 3.73Å; V674-I692 HydrophobicContact CG2-CG2 3.84Å; Y688-I692 WeakPolarHBondContact O-CG1 3.28Å; Y688-I692 PolarHBondContact O-N 3.5Å; C689-I692 PolarHBondContact O-N 3.35Å; I692-Q694 VanDerWaalsContact C-N 3.29Å; I692-Q694 PolarHBondContact O-N 3.37Å; I692-L695 PolarHBondContact O-N 3.03Å; I692-L695 VanDerWaalsContact O-N 3.14Å; I692-L696 HydrophobicContact CG2-CD1 3.81Å; I692-L696 HydrophobicContact CG2-CG 4.21Å; I692-L696 VanDerWaalsContact O-CG 3.31Å; I692-L696 WeakPolarHBondContact O-CG 3.3Å; I692-L696 PolarHBondContact O-N 2.68Å; I692-I720 HydrophobicContact CG2-CD1 4.25Å |
| 693 | M | 96.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.1 | -38.8 | 179.3 | -74.4 | -61.4 | -63 | 0 | 0 | 112.2 | C689 L696 L697 F717 I720 F728 Y731 V735 | C689-M693 VanDerWaalsContact O-CB 3.25Å; C689-M693 WeakPolarHBondContact O-CB 3.13Å; C689-M693 VanDerWaalsContact O-CG 3.26Å; C689-M693 WeakPolarHBondContact O-CG 3.43Å; C689-M693 PolarHBondContact O-N 2.97Å; M693-L696 HydrophobicContact SD-CD1 4.49Å; M693-L697 WeakPolarHBondContact O-CB 3.35Å; M693-L697 WeakPolarHBondContact O-CD1 3.47Å; M693-L697 VanDerWaalsContact O-CG 3.23Å; M693-L697 WeakPolarHBondContact O-CG 3.42Å; M693-L697 PolarHBondContact O-N 3.13Å; M693-F717 HydrophobicContact CE-CD1 3.6Å; M693-F717 HydrophobicContact CE-CE1 3.43Å; M693-F717 VanDerWaalsContact CE-CE1 3.43Å; M693-F717 HydrophobicContact CE-CZ 4.3Å; M693-F717 HydrophobicContact SD-CD1 3.67Å; M693-F717 HydrophobicContact SD-CE1 3.71Å; M693-I720 HydrophobicContact SD-CD1 3.6Å; M693-I720 HydrophobicContact SD-CG2 4.25Å; M693-F728 HydrophobicContact CE-CE2 4.44Å; M693-Y731 HydrophobicContact CB-CD1 4.03Å; M693-Y731 HydrophobicContact CB-CE1 3.72Å; M693-Y731 HydrophobicContact CE-CD1 4.04Å; M693-Y731 HydrophobicContact CE-CD2 4.33Å; M693-Y731 HydrophobicContact CE-CG 3.78Å; M693-Y731 HydrophobicContact CG-CD1 4.05Å; M693-Y731 HydrophobicContact CG-CD2 4.14Å; M693-Y731 HydrophobicContact CG-CE1 3.86Å; M693-Y731 HydrophobicContact CG-CE2 3.97Å; M693-Y731 HydrophobicContact CG-CG 4.17Å; M693-V735 HydrophobicContact CE-CG2 3.74Å |
| 694 | Q | 95.9 | Very high | 93.1 | Very high | 111 Ų | 111 | 53.2 Ų | 53.2 | 52% | 0.519 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.5 | -49 | 175.1 | -177.7 | -175.8 | -17.7 | 0 | 0 | 111.2 | D690 E691 I692 L697 E698 | D690-Q694 WeakPolarHBondContact O-CB 3.35Å; D690-Q694 PolarHBondContact O-N 3.34Å; E691-Q694 PolarHBondContact O-N 3.21Å; I692-Q694 VanDerWaalsContact C-N 3.29Å; I692-Q694 PolarHBondContact O-N 3.37Å; Q694-L697 PolarHBondContact O-N 3.33Å; Q694-E698 WeakPolarHBondContact CG-OE1 3.32Å; Q694-E698 PolarHBondContact NE2-OE1 3.41Å; Q694-E698 WeakPolarHBondContact O-CB 3.31Å; Q694-E698 WeakPolarHBondContact O-CG 3.39Å; Q694-E698 PolarHBondContact O-N 2.9Å |
| 695 | L | 96.6 | Very high | 92.8 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.5 | -40.4 | -178.6 | -62.7 | 176.9 | 0 | 0 | 0 | 112.6 | A655 L658 K659 E691 I692 L697 E698 N699 | A655-L695 HydrophobicContact CB-CD1 3.79Å; L658-L695 HydrophobicContact CB-CB 4.2Å; L658-L695 HydrophobicContact CB-CD1 4.09Å; L658-L695 HydrophobicContact CD1-CB 4.32Å; L658-L695 HydrophobicContact CD1-CD1 4.1Å; K659-L695 HydrophobicContact CD-CD2 4.23Å; K659-L695 HydrophobicContact CG-CD2 3.87Å; E691-L695 HydrophobicContact CG-CD1 4.5Å; E691-L695 WeakPolarHBondContact O-CG 3.46Å; E691-L695 PolarHBondContact O-N 3.19Å; E691-L695 VanDerWaalsContact O-N 3.11Å; I692-L695 PolarHBondContact O-N 3.03Å; I692-L695 VanDerWaalsContact O-N 3.14Å; L695-L697 VanDerWaalsContact C-N 3.35Å; L695-L697 PolarHBondContact O-N 2.91Å; L695-E698 PolarHBondContact O-N 2.87Å; L695-N699 PolarHBondContact O-N 3.35Å |
| 696 | L | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.4 | -43 | 176.2 | -68 | 177.8 | 0 | 0 | 0 | 111.7 | L658 V671 I692 M693 N699 L700 I713 F717 I720 | L658-L696 HydrophobicContact CD2-CD2 3.93Å; V671-L696 HydrophobicContact CG2-CD2 3.93Å; I692-L696 HydrophobicContact CG2-CD1 3.81Å; I692-L696 HydrophobicContact CG2-CG 4.21Å; I692-L696 VanDerWaalsContact O-CG 3.31Å; I692-L696 WeakPolarHBondContact O-CG 3.3Å; I692-L696 PolarHBondContact O-N 2.68Å; M693-L696 HydrophobicContact SD-CD1 4.49Å; L696-N699 PolarHBondContact O-N 3.45Å; L696-L700 WeakPolarHBondContact O-CG 3.42Å; L696-L700 PolarHBondContact O-N 3.48Å; L696-L700 VanDerWaalsContact O-N 3.13Å; L696-I713 HydrophobicContact CB-CG2 3.83Å; L696-I713 HydrophobicContact CD2-CB 4.48Å; L696-I713 HydrophobicContact CD2-CD1 4.38Å; L696-I713 HydrophobicContact CD2-CG1 3.93Å; L696-I713 HydrophobicContact CD2-CG2 4.04Å; L696-I713 HydrophobicContact CG-CG2 4.35Å; L696-F717 HydrophobicContact CB-CE1 3.85Å; L696-F717 HydrophobicContact CB-CZ 4.25Å; L696-F717 HydrophobicContact CD1-CD1 4.27Å; L696-F717 HydrophobicContact CD1-CE1 3.96Å; L696-I720 HydrophobicContact CD1-CD1 3.79Å |
| 697 | L | 93.6 | Very high | 92.1 | Very high | 44 Ų | 44 | 55.5 Ų | 55.5 | 23% | 0.23 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.6 | -37.3 | 176.9 | -70 | 168.6 | 0 | 0 | 0 | 112.5 | M693 Q694 L695 N699 L700 G701 F717 I734 | M693-L697 WeakPolarHBondContact O-CB 3.35Å; M693-L697 WeakPolarHBondContact O-CD1 3.47Å; M693-L697 VanDerWaalsContact O-CG 3.23Å; M693-L697 WeakPolarHBondContact O-CG 3.42Å; M693-L697 PolarHBondContact O-N 3.13Å; Q694-L697 PolarHBondContact O-N 3.33Å; L695-L697 VanDerWaalsContact C-N 3.35Å; L695-L697 PolarHBondContact O-N 2.91Å; L697-N699 VanDerWaalsContact C-N 3.33Å; L697-L700 PolarHBondContact O-N 3.11Å; L697-G701 PolarHBondContact O-N 3.29Å; L697-F717 HydrophobicContact CD2-CE2 4.45Å; L697-F717 HydrophobicContact CD2-CZ 3.8Å; L697-F717 HydrophobicContact CG-CZ 4.22Å; L697-I734 HydrophobicContact CD1-CG2 4.09Å; L697-I734 HydrophobicContact CD2-CG2 3.79Å |
| 698 | E | 93.8 | Very high | 91.9 | Very high | 99 Ų | 99 | 52.2 Ų | 52.2 | 46% | 0.463 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 173.7 | -77.7 | 174.3 | -167.6 | 0 | 0 | 111.5 | Q694 L695 G701 N702 | Q694-E698 WeakPolarHBondContact CG-OE1 3.32Å; Q694-E698 PolarHBondContact NE2-OE1 3.41Å; Q694-E698 WeakPolarHBondContact O-CB 3.31Å; Q694-E698 WeakPolarHBondContact O-CG 3.39Å; Q694-E698 PolarHBondContact O-N 2.9Å; L695-E698 PolarHBondContact O-N 2.87Å; E698-G701 PolarHBondContact O-N 2.74Å; E698-N702 PolarHBondContact O-N 2.85Å |
| 699 | N | 92.8 | Very high | 91.8 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 5% | 0.048 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65 | -42.8 | 175.6 | -79.9 | -22.1 | 0 | 0 | 0 | 112.5 | L658 L695 L696 L697 G701 N702 V705 I713 | L658-N699 PolarHBondContact O-ND2 3.15Å; L695-N699 PolarHBondContact O-N 3.35Å; L696-N699 PolarHBondContact O-N 3.45Å; L697-N699 VanDerWaalsContact C-N 3.33Å; N699-G701 VanDerWaalsContact C-N 3.27Å; N699-G701 PolarHBondContact O-N 3.49Å; N699-N702 PolarHBondContact O-N 3.24Å; N699-N702 VanDerWaalsContact O-N 3.15Å; N699-V705 HydrophobicContact CB-CG2 4.48Å; N699-V705 WeakPolarHBondContact O-CG2 3.3Å; N699-I713 HydrophobicContact CB-CD1 3.68Å |
| 700 | L | 89.6 | Confident | 91.7 | Very high | 32 Ų | 32 | 54 Ų | 54 | 17% | 0.168 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.3 | -32.2 | 177.7 | -74.6 | 172.2 | 0 | 0 | 0 | 113.1 | L696 L697 N702 K710 I713 L714 F717 T738 | L696-L700 WeakPolarHBondContact O-CG 3.42Å; L696-L700 PolarHBondContact O-N 3.48Å; L696-L700 VanDerWaalsContact O-N 3.13Å; L697-L700 PolarHBondContact O-N 3.11Å; L700-N702 VanDerWaalsContact C-N 3.28Å; L700-N702 PolarHBondContact O-N 3.2Å; L700-K710 HydrophobicContact CD2-CB 4Å; L700-K710 HydrophobicContact CD2-CG 4Å; L700-I713 HydrophobicContact CD1-CG2 3.61Å; L700-I713 HydrophobicContact CD2-CB 4.28Å; L700-I713 HydrophobicContact CD2-CD1 4.38Å; L700-I713 HydrophobicContact CD2-CG2 4.24Å; L700-I713 HydrophobicContact CG-CB 4.36Å; L700-I713 HydrophobicContact CG-CD1 4.19Å; L700-I713 HydrophobicContact CG-CG2 3.83Å; L700-L714 HydrophobicContact CD1-CD2 4.31Å; L700-F717 HydrophobicContact CD1-CE2 3.53Å; L700-F717 HydrophobicContact CD1-CZ 3.67Å; L700-T738 HydrophobicContact CD1-CG2 3.86Å |
| 701 | G | 86.4 | Confident | 91.6 | Very high | 68 Ų | 68 | 50 Ų | 50 | 70% | 0.701 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -5.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L697 E698 N699 | L697-G701 PolarHBondContact O-N 3.29Å; E698-G701 PolarHBondContact O-N 2.74Å; N699-G701 VanDerWaalsContact C-N 3.27Å; N699-G701 PolarHBondContact O-N 3.49Å |
| 702 | N | 87.2 | Confident | 91.6 | Very high | 32 Ų | 32 | 50.2 Ų | 50.2 | 17% | 0.171 | 26% | 0.259 | C | S | . | . | trans | -101.7 | 114.2 | -178.4 | 179.6 | 5.3 | 0 | 0 | 0 | 110.6 | Y661 E698 N699 L700 N704 V705 | Y661-N702 WeakPolarHBondContact CE1-ND2 3.42Å; Y661-N702 WeakPolarHBondContact CE2-ND2 3.47Å; Y661-N702 VanDerWaalsContact CZ-ND2 3.26Å; E698-N702 PolarHBondContact O-N 2.85Å; N699-N702 PolarHBondContact O-N 3.24Å; N699-N702 VanDerWaalsContact O-N 3.15Å; L700-N702 VanDerWaalsContact C-N 3.28Å; L700-N702 PolarHBondContact O-N 3.2Å; N702-N704 PolarHBondContact O-N 2.91Å; N702-N704 WeakPolarHBondContact OD1-CB 3.47Å; N702-N704 PolarHBondContact OD1-N 3.07Å; N702-N704 PolarHBondContact OD1-ND2 2.92Å; N702-V705 HydrophobicContact CB-CG2 3.74Å; N702-V705 WeakPolarHBondContact O-CG2 3.49Å; N702-V705 PolarHBondContact O-N 3.33Å | ||
| 703 | E | 83.7 | Confident | 91.6 | Very high | 177 Ų | 177 | 49.8 Ų | 49.8 | 83% | 0.827 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -19.6 | -179 | -65.8 | -178.8 | 168.5 | 0 | 0 | 113.2 | V705 | E703-V705 VanDerWaalsContact C-N 3.26Å; E703-V705 PolarHBondContact O-N 3.4Å |
| 704 | N | 83.9 | Confident | 91.6 | Very high | 116 Ų | 116 | 49.9 Ų | 49.9 | 62% | 0.62 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -1.5 | 178.8 | -50.7 | -74.8 | 0 | 0 | 0 | 113.5 | Y661 N702 | Y661-N704 HydrophobicContact CE2-CB 4.35Å; N702-N704 PolarHBondContact O-N 2.91Å; N702-N704 WeakPolarHBondContact OD1-CB 3.47Å; N702-N704 PolarHBondContact OD1-N 3.07Å; N702-N704 PolarHBondContact OD1-ND2 2.92Å |
| 705 | V | 87.9 | Confident | 91.6 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -78.2 | 134 | 178.4 | -179 | 0 | 0 | 0 | 0 | 109.2 | Y661 N699 N702 E703 R707 V709 | Y661-V705 HydrophobicContact CD2-CG2 4.12Å; Y661-V705 HydrophobicContact CG-CG2 3.95Å; N699-V705 HydrophobicContact CB-CG2 4.48Å; N699-V705 WeakPolarHBondContact O-CG2 3.3Å; N702-V705 HydrophobicContact CB-CG2 3.74Å; N702-V705 WeakPolarHBondContact O-CG2 3.49Å; N702-V705 PolarHBondContact O-N 3.33Å; E703-V705 VanDerWaalsContact C-N 3.26Å; E703-V705 PolarHBondContact O-N 3.4Å; V705-R707 PolarHBondContact O-N 3.44Å; V705-V709 HydrophobicContact CG1-CB 3.7Å; V705-V709 HydrophobicContact CG1-CG1 4.02Å; V705-V709 HydrophobicContact CG1-CG2 3.94Å |
| 706 | H | 89.1 | Confident | 91.6 | Very high | 68 Ų | 68 | 44.9 Ų | 44.9 | 32% | 0.315 | 24% | 0.235 | S | C | . | . | trans | -54.9 | 136.7 | 177.7 | -169.2 | -93.9 | 0 | 0 | 0 | 111.7 | Y664 S708 V709 | Y664-H706 HydrophobicContact CD1-CB 4.18Å; Y664-H706 AromaticContact CD1-CG 4Å; Y664-H706 HydrophobicContact CD2-CB 4.44Å; Y664-H706 AromaticContact CD2-ND1 3.88Å; Y664-H706 HydrophobicContact CG-CB 3.8Å; Y664-H706 AromaticContact CG-CG 3.83Å; H706-S708 VanDerWaalsContact C-N 3.27Å; H706-S708 PolarHBondContact CE1-OG 3.06Å; H706-S708 PolarHBondContact ND1-N 3.04Å; H706-S708 PolarHBondContact ND1-OG 3.47Å; H706-S708 PolarHBondContact O-N 3.02Å; H706-S708 VanDerWaalsContact O-N 3.15Å; H706-V709 HydrophobicContact CB-CG2 4.39Å; H706-V709 WeakPolarHBondContact O-CB 3.29Å; H706-V709 PolarHBondContact O-N 3.09Å | ||
| 707 | R | 87.3 | Confident | 91.7 | Very high | 106 Ų | 106 | 44.9 Ų | 44.9 | 40% | 0.4 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -41 | -173 | 59.2 | -176.2 | 163.5 | -179.4 | -0.1 | 113.6 | V705 V709 K710 P711 M754 Y757 | V705-R707 PolarHBondContact O-N 3.44Å; R707-V709 PolarHBondContact O-N 3.33Å; R707-V709 VanDerWaalsContact O-N 3.12Å; R707-K710 PolarHBondContact O-N 3.25Å; R707-K710 VanDerWaalsContact O-N 3.15Å; R707-P711 WeakPolarHBondContact O-CD 3.45Å; R707-M754 PolarHBondContact NH1-SD 2.98Å; R707-Y757 HydrophobicContact CB-CD2 4.16Å; R707-Y757 HydrophobicContact CB-CE1 4.49Å; R707-Y757 HydrophobicContact CB-CE2 3.65Å; R707-Y757 HydrophobicContact CG-CD2 4.17Å; R707-Y757 HydrophobicContact CG-CE2 4.16Å; R707-Y757 WeakPolarHBondContact O-CE2 3.35Å |
| 708 | S | 90.5 | Very high | 91.8 | Very high | 29 Ų | 29 | 42.9 Ų | 42.9 | 20% | 0.203 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -16.6 | -179.3 | -45.5 | 0 | 0 | 0 | 0 | 114.8 | H706 | H706-S708 VanDerWaalsContact C-N 3.27Å; H706-S708 PolarHBondContact CE1-OG 3.06Å; H706-S708 PolarHBondContact ND1-N 3.04Å; H706-S708 PolarHBondContact ND1-OG 3.47Å; H706-S708 PolarHBondContact O-N 3.02Å; H706-S708 VanDerWaalsContact O-N 3.15Å |
| 709 | V | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -75.3 | -31.9 | 177.4 | -176 | 0 | 0 | 0 | 0 | 111.1 | L668 V705 H706 R707 Q712 I713 | L668-V709 HydrophobicContact CD2-CB 4.41Å; L668-V709 HydrophobicContact CD2-CG2 4.17Å; L668-V709 HydrophobicContact CG-CG2 4.26Å; V705-V709 HydrophobicContact CG1-CB 3.7Å; V705-V709 HydrophobicContact CG1-CG1 4.02Å; V705-V709 HydrophobicContact CG1-CG2 3.94Å; H706-V709 HydrophobicContact CB-CG2 4.39Å; H706-V709 WeakPolarHBondContact O-CB 3.29Å; H706-V709 PolarHBondContact O-N 3.09Å; R707-V709 PolarHBondContact O-N 3.33Å; R707-V709 VanDerWaalsContact O-N 3.12Å; V709-Q712 PolarHBondContact O-N 2.66Å; V709-I713 HydrophobicContact CG1-CD1 3.74Å; V709-I713 HydrophobicContact CG1-CG1 4.05Å; V709-I713 WeakPolarHBondContact O-CG1 3.37Å; V709-I713 PolarHBondContact O-N 2.94Å |
| 710 | K | 92.9 | Very high | 92.2 | Very high | 62 Ų | 62 | 38.7 Ų | 38.7 | 27% | 0.27 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.2 | -51 | -174.9 | -59.8 | -175.7 | 177.9 | 175.2 | 0 | 112.5 | L700 R707 Q712 I713 L714 | L700-K710 HydrophobicContact CD2-CB 4Å; L700-K710 HydrophobicContact CD2-CG 4Å; R707-K710 PolarHBondContact O-N 3.25Å; R707-K710 VanDerWaalsContact O-N 3.15Å; K710-Q712 VanDerWaalsContact C-N 3.26Å; K710-Q712 PolarHBondContact O-N 2.88Å; K710-I713 PolarHBondContact O-N 2.97Å; K710-L714 WeakPolarHBondContact O-CG 3.37Å; K710-L714 PolarHBondContact O-N 2.96Å; K710-L714 VanDerWaalsContact O-N 3.08Å |
| 711 | P | 94.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -54 | -42.5 | 177.6 | -25.7 | 34 | 0 | 0 | 0 | 113.1 | R707 L714 S715 Y757 E760 L761 | R707-P711 WeakPolarHBondContact O-CD 3.45Å; P711-L714 WeakPolarHBondContact O-CB 3.4Å; P711-L714 PolarHBondContact O-N 3.18Å; P711-S715 PolarHBondContact O-N 2.9Å; P711-Y757 HydrophobicContact CG-CE2 4.07Å; P711-E760 HydrophobicContact CB-CG 3.88Å; P711-E760 HydrophobicContact CG-CB 4.39Å; P711-E760 HydrophobicContact CG-CG 4.09Å; P711-L761 HydrophobicContact CG-CB 4.19Å; P711-L761 HydrophobicContact CG-CD1 4.08Å |
| 712 | Q | 95.7 | Very high | 92.9 | Very high | 74 Ų | 74 | 38.1 Ų | 38.1 | 35% | 0.346 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -68.6 | -38.6 | -177.6 | -57.4 | -59.7 | -32.7 | 0 | 0 | 112.1 | L668 V671 V709 K710 L714 S715 A716 E760 | L668-Q712 HydrophobicContact CD2-CB 3.97Å; L668-Q712 HydrophobicContact CD2-CG 3.61Å; V671-Q712 HydrophobicContact CG1-CB 4.07Å; V671-Q712 WeakPolarHBondContact CG1-O 3.25Å; V709-Q712 PolarHBondContact O-N 2.66Å; K710-Q712 VanDerWaalsContact C-N 3.26Å; K710-Q712 PolarHBondContact O-N 2.88Å; Q712-L714 VanDerWaalsContact C-N 3.32Å; Q712-L714 PolarHBondContact O-N 3.24Å; Q712-S715 PolarHBondContact O-N 3.23Å; Q712-A716 WeakPolarHBondContact O-CB 3.26Å; Q712-A716 PolarHBondContact O-N 3.39Å; Q712-E760 PolarHBondContact NE2-OE1 3.28Å |
| 713 | I | 96.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.7 | -40.9 | 172.3 | -66.3 | 176.1 | 0 | 0 | 0 | 110.9 | V671 L696 N699 L700 V709 K710 A716 F717 | V671-I713 HydrophobicContact CG1-CG1 4.31Å; V671-I713 HydrophobicContact CG2-CG1 3.87Å; L696-I713 HydrophobicContact CB-CG2 3.83Å; L696-I713 HydrophobicContact CD2-CB 4.48Å; L696-I713 HydrophobicContact CD2-CD1 4.38Å; L696-I713 HydrophobicContact CD2-CG1 3.93Å; L696-I713 HydrophobicContact CD2-CG2 4.04Å; L696-I713 HydrophobicContact CG-CG2 4.35Å; N699-I713 HydrophobicContact CB-CD1 3.68Å; L700-I713 HydrophobicContact CD1-CG2 3.61Å; L700-I713 HydrophobicContact CD2-CB 4.28Å; L700-I713 HydrophobicContact CD2-CD1 4.38Å; L700-I713 HydrophobicContact CD2-CG2 4.24Å; L700-I713 HydrophobicContact CG-CB 4.36Å; L700-I713 HydrophobicContact CG-CD1 4.19Å; L700-I713 HydrophobicContact CG-CG2 3.83Å; V709-I713 HydrophobicContact CG1-CD1 3.74Å; V709-I713 HydrophobicContact CG1-CG1 4.05Å; V709-I713 WeakPolarHBondContact O-CG1 3.37Å; V709-I713 PolarHBondContact O-N 2.94Å; K710-I713 PolarHBondContact O-N 2.97Å; I713-A716 WeakPolarHBondContact O-CB 3.33Å; I713-A716 PolarHBondContact O-N 3.39Å; I713-F717 HydrophobicContact CG2-CE1 4.15Å; I713-F717 HydrophobicContact CG2-CE2 4.08Å; I713-F717 HydrophobicContact CG2-CZ 3.79Å; I713-F717 PolarHBondContact O-N 3.31Å; I713-F717 VanDerWaalsContact O-N 3.09Å |
| 714 | L | 96 | Very high | 93.9 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.9 | -46.3 | 178.3 | -62.3 | 178.9 | 0 | 0 | 0 | 110.9 | L700 K710 P711 Q712 A716 F717 T738 L739 A742 L761 A768 | L700-L714 HydrophobicContact CD1-CD2 4.31Å; K710-L714 WeakPolarHBondContact O-CG 3.37Å; K710-L714 PolarHBondContact O-N 2.96Å; K710-L714 VanDerWaalsContact O-N 3.08Å; P711-L714 WeakPolarHBondContact O-CB 3.4Å; P711-L714 PolarHBondContact O-N 3.18Å; Q712-L714 VanDerWaalsContact C-N 3.32Å; Q712-L714 PolarHBondContact O-N 3.24Å; L714-A716 VanDerWaalsContact C-N 3.3Å; L714-A716 PolarHBondContact O-N 3.43Å; L714-F717 HydrophobicContact CD2-CD2 4.16Å; L714-F717 HydrophobicContact CD2-CE2 4.18Å; L714-F717 WeakPolarHBondContact O-CB 3.31Å; L714-F717 PolarHBondContact O-N 3.43Å; L714-F717 VanDerWaalsContact O-N 3.12Å; L714-T738 HydrophobicContact CD2-CG2 4Å; L714-L739 HydrophobicContact CB-CD2 4.31Å; L714-L739 HydrophobicContact CD1-CD2 4.39Å; L714-L739 HydrophobicContact CD2-CD2 3.9Å; L714-L739 HydrophobicContact CG-CD2 4.42Å; L714-A742 HydrophobicContact CD1-CB 3.74Å; L714-L761 HydrophobicContact CD1-CD1 3.77Å; L714-A768 WeakPolarHBondContact O-CB 3.49Å |
| 715 | S | 95.4 | Very high | 94.3 | Very high | 15 Ų | 15 | 24.8 Ų | 24.8 | 11% | 0.105 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.9 | -43.4 | 174.5 | -172.4 | 0 | 0 | 0 | 0 | 111.6 | P711 Q712 F717 G718 D719 E767 | P711-S715 PolarHBondContact O-N 2.9Å; Q712-S715 PolarHBondContact O-N 3.23Å; S715-F717 VanDerWaalsContact C-N 3.28Å; S715-F717 PolarHBondContact O-N 3.02Å; S715-G718 WeakPolarHBondContact O-CA 3.3Å; S715-G718 PolarHBondContact O-N 3.11Å; S715-D719 PolarHBondContact O-N 2.74Å; S715-E767 WeakPolarHBondContact CB-OE2 3.27Å; S715-E767 PolarHBondContact OG-OE2 3.28Å |
| 716 | A | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.1 | -31.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | V671 C675 Q712 I713 L714 G718 D719 I720 | V671-A716 HydrophobicContact CG1-CB 3.88Å; C675-A716 VanDerWaalsContact SG-CA 3.57Å; C675-A716 VanDerWaalsContact SG-CB 3.59Å; Q712-A716 WeakPolarHBondContact O-CB 3.26Å; Q712-A716 PolarHBondContact O-N 3.39Å; I713-A716 WeakPolarHBondContact O-CB 3.33Å; I713-A716 PolarHBondContact O-N 3.39Å; L714-A716 VanDerWaalsContact C-N 3.3Å; L714-A716 PolarHBondContact O-N 3.43Å; A716-G718 VanDerWaalsContact C-N 3.25Å; A716-G718 PolarHBondContact O-N 2.81Å; A716-D719 PolarHBondContact O-N 3.05Å; A716-I720 VanDerWaalsContact O-CG1 3.25Å; A716-I720 WeakPolarHBondContact O-CG1 3.34Å; A716-I720 PolarHBondContact O-N 2.98Å |
| 717 | F | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.9 | -35.1 | 171.9 | -67.5 | -31.9 | 0 | 0 | 0 | 112.5 | M693 L696 L697 L700 I713 L714 S715 A721 V735 | M693-F717 HydrophobicContact CE-CD1 3.6Å; M693-F717 HydrophobicContact CE-CE1 3.43Å; M693-F717 VanDerWaalsContact CE-CE1 3.43Å; M693-F717 HydrophobicContact CE-CZ 4.3Å; M693-F717 HydrophobicContact SD-CD1 3.67Å; M693-F717 HydrophobicContact SD-CE1 3.71Å; L696-F717 HydrophobicContact CB-CE1 3.85Å; L696-F717 HydrophobicContact CB-CZ 4.25Å; L696-F717 HydrophobicContact CD1-CD1 4.27Å; L696-F717 HydrophobicContact CD1-CE1 3.96Å; L697-F717 HydrophobicContact CD2-CE2 4.45Å; L697-F717 HydrophobicContact CD2-CZ 3.8Å; L697-F717 HydrophobicContact CG-CZ 4.22Å; L700-F717 HydrophobicContact CD1-CE2 3.53Å; L700-F717 HydrophobicContact CD1-CZ 3.67Å; I713-F717 HydrophobicContact CG2-CE1 4.15Å; I713-F717 HydrophobicContact CG2-CE2 4.08Å; I713-F717 HydrophobicContact CG2-CZ 3.79Å; I713-F717 PolarHBondContact O-N 3.31Å; I713-F717 VanDerWaalsContact O-N 3.09Å; L714-F717 HydrophobicContact CD2-CD2 4.16Å; L714-F717 HydrophobicContact CD2-CE2 4.18Å; L714-F717 WeakPolarHBondContact O-CB 3.31Å; L714-F717 PolarHBondContact O-N 3.43Å; L714-F717 VanDerWaalsContact O-N 3.12Å; S715-F717 VanDerWaalsContact C-N 3.28Å; S715-F717 PolarHBondContact O-N 3.02Å; F717-A721 WeakPolarHBondContact O-CB 3.27Å; F717-A721 PolarHBondContact O-N 2.98Å; F717-V735 HydrophobicContact CB-CG1 4.06Å; F717-V735 HydrophobicContact CD1-CG2 4.43Å; F717-V735 HydrophobicContact CD2-CG1 3.77Å; F717-V735 HydrophobicContact CD2-CG2 4.21Å; F717-V735 HydrophobicContact CE2-CG1 4.44Å; F717-V735 HydrophobicContact CE2-CG2 4.32Å; F717-V735 HydrophobicContact CG-CG1 4.07Å; F717-V735 HydrophobicContact CG-CG2 4.27Å; F717-V735 HydrophobicContact CZ-CG2 4.49Å |
| 718 | G | 96.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 23 Ų | 23 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63 | -49.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | S715 A716 I720 A721 L722 | S715-G718 WeakPolarHBondContact O-CA 3.3Å; S715-G718 PolarHBondContact O-N 3.11Å; A716-G718 VanDerWaalsContact C-N 3.25Å; A716-G718 PolarHBondContact O-N 2.81Å; G718-I720 PolarHBondContact O-N 3.14Å; G718-A721 PolarHBondContact O-N 3.31Å; G718-L722 WeakPolarHBondContact O-CG 3.31Å; G718-L722 PolarHBondContact O-N 3.03Å |
| 719 | D | 96.9 | Very high | 95.2 | Very high | 19 Ų | 19 | 26 Ų | 26 | 10% | 0.102 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 178.1 | -77.4 | -51.1 | 0 | 0 | 0 | 112.5 | C675 C678 R679 S715 A716 L722 A723 | C675-D719 HydrophobicContact CB-CB 4.33Å; C675-D719 WeakPolarHBondContact CB-OD2 3.03Å; C675-D719 PolarHBondContact SG-OD2 2.95Å; C678-D719 HydrophobicContact CB-CB 4.12Å; R679-D719 IonicContact CZ-OD1 3.33Å; R679-D719 IonicContact CZ-OD2 2.87Å; R679-D719 IonicContact NE-OD1 3.13Å; R679-D719 PolarHBondContact NE-OD1 3.17Å; R679-D719 IonicContact NE-OD2 3.45Å; R679-D719 IonicContact NH2-OD1 2.75Å; R679-D719 PolarHBondContact NH2-OD1 3.19Å; R679-D719 IonicContact NH2-OD2 3.72Å; R679-D719 PolarHBondContact NH2-OD2 3.29Å; S715-D719 PolarHBondContact O-N 2.74Å; A716-D719 PolarHBondContact O-N 3.05Å; D719-L722 PolarHBondContact O-N 3.11Å; D719-A723 WeakPolarHBondContact O-CB 3.47Å; D719-A723 PolarHBondContact O-N 3.47Å |
| 720 | I | 97.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.7 | -45.1 | 174.9 | -67.2 | 166.3 | 0 | 0 | 0 | 110.1 | V674 C678 I692 M693 L696 A716 G718 L722 A723 I724 F728 | V674-I720 HydrophobicContact CG1-CD1 4Å; V674-I720 HydrophobicContact CG1-CG1 4.15Å; C678-I720 VanDerWaalsContact SG-CG1 3.5Å; I692-I720 HydrophobicContact CG2-CD1 4.25Å; M693-I720 HydrophobicContact SD-CD1 3.6Å; M693-I720 HydrophobicContact SD-CG2 4.25Å; L696-I720 HydrophobicContact CD1-CD1 3.79Å; A716-I720 VanDerWaalsContact O-CG1 3.25Å; A716-I720 WeakPolarHBondContact O-CG1 3.34Å; A716-I720 PolarHBondContact O-N 2.98Å; G718-I720 PolarHBondContact O-N 3.14Å; I720-L722 VanDerWaalsContact C-N 3.32Å; I720-L722 PolarHBondContact O-N 3.43Å; I720-A723 PolarHBondContact O-N 3.35Å; I720-I724 HydrophobicContact CG2-CD1 4.08Å; I720-I724 WeakPolarHBondContact O-CG1 3.14Å; I720-I724 PolarHBondContact O-N 3.48Å; I720-F728 HydrophobicContact CB-CE2 4.43Å; I720-F728 HydrophobicContact CG2-CD2 4.09Å; I720-F728 HydrophobicContact CG2-CE2 4.06Å |
| 721 | A | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.3 | -39.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F717 G718 G725 F728 I772 | F717-A721 WeakPolarHBondContact O-CB 3.27Å; F717-A721 PolarHBondContact O-N 2.98Å; G718-A721 PolarHBondContact O-N 3.31Å; A721-G725 VanDerWaalsContact O-CA 3.31Å; A721-G725 WeakPolarHBondContact O-CA 3.44Å; A721-G725 PolarHBondContact O-N 3.11Å; A721-F728 HydrophobicContact CB-CB 4.37Å; A721-F728 HydrophobicContact CB-CD1 3.89Å; A721-F728 HydrophobicContact CB-CD2 3.72Å; A721-F728 HydrophobicContact CB-CE1 4.04Å; A721-F728 HydrophobicContact CB-CE2 3.88Å; A721-F728 HydrophobicContact CB-CG 3.72Å; A721-F728 HydrophobicContact CB-CZ 4.02Å; A721-I772 HydrophobicContact CB-CB 4.42Å; A721-I772 HydrophobicContact CB-CG1 3.89Å |
| 722 | L | 95.4 | Very high | 95.4 | Very high | 88 Ų | 88 | 30.3 Ų | 30.3 | 46% | 0.461 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -61.7 | -42.9 | 172.4 | -73.8 | 171.2 | 0 | 0 | 0 | 112 | G718 D719 I720 Q774 | G718-L722 WeakPolarHBondContact O-CG 3.31Å; G718-L722 PolarHBondContact O-N 3.03Å; D719-L722 PolarHBondContact O-N 3.11Å; I720-L722 VanDerWaalsContact C-N 3.32Å; I720-L722 PolarHBondContact O-N 3.43Å; L722-Q774 HydrophobicContact CD2-CB 3.51Å |
| 723 | A | 95.1 | Very high | 95.4 | Very high | 15 Ų | 15 | 32.4 Ų | 32.4 | 12% | 0.124 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71.4 | -38.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | C678 Q682 S683 I685 D719 I720 | C678-A723 HydrophobicContact CB-CB 3.81Å; Q682-A723 CarbonylContact C-O 3.41Å; S683-A723 WeakPolarHBondContact CA-O 3.32Å; S683-A723 PolarHBondContact N-O 3.34Å; I685-A723 HydrophobicContact CG2-CB 4.03Å; D719-A723 WeakPolarHBondContact O-CB 3.47Å; D719-A723 PolarHBondContact O-N 3.47Å; I720-A723 PolarHBondContact O-N 3.35Å |
| 724 | I | 95.2 | Very high | 95.3 | Very high | 16 Ų | 16 | 36.9 Ų | 36.9 | 8% | 0.082 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -104.9 | -8.9 | -175.2 | 76.3 | -180 | 0 | 0 | 0 | 114.4 | I685 L686 I720 G726 E727 F728 Y731 | I685-I724 HydrophobicContact CG2-CG2 3.85Å; L686-I724 HydrophobicContact CB-CG2 4.35Å; L686-I724 HydrophobicContact CD1-CB 4.19Å; L686-I724 HydrophobicContact CD1-CD1 4.38Å; L686-I724 HydrophobicContact CD1-CG2 4.14Å; I720-I724 HydrophobicContact CG2-CD1 4.08Å; I720-I724 WeakPolarHBondContact O-CG1 3.14Å; I720-I724 PolarHBondContact O-N 3.48Å; I724-G726 PolarHBondContact O-N 3.4Å; I724-E727 HydrophobicContact CB-CB 4.24Å; I724-E727 HydrophobicContact CD1-CB 4.28Å; I724-E727 HydrophobicContact CG1-CB 4.26Å; I724-E727 PolarHBondContact O-N 2.9Å; I724-E727 VanDerWaalsContact O-N 3.15Å; I724-F728 HydrophobicContact CD1-CB 4.13Å; I724-F728 HydrophobicContact CD1-CD2 4.05Å; I724-F728 HydrophobicContact CG1-CB 3.94Å; I724-F728 HydrophobicContact CG1-CD2 4.31Å; I724-Y731 HydrophobicContact CD1-CE2 4.16Å |
| 725 | G | 93.1 | Very high | 95.3 | Very high | 13 Ų | 13 | 36.8 Ų | 36.8 | 13% | 0.134 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | 51.3 | -118.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A721 E727 F728 G775 | A721-G725 VanDerWaalsContact O-CA 3.31Å; A721-G725 WeakPolarHBondContact O-CA 3.44Å; A721-G725 PolarHBondContact O-N 3.11Å; G725-E727 PolarHBondContact O-N 2.68Å; G725-E727 VanDerWaalsContact O-N 3.15Å; G725-F728 WeakPolarHBondContact O-CB 3.4Å; G725-F728 PolarHBondContact O-N 3.36Å; G725-G775 VanDerWaalsContact CA-O 3.26Å; G725-G775 WeakPolarHBondContact CA-O 3.38Å |
| 726 | G | 90.5 | Very high | 95.3 | Very high | 25 Ų | 25 | 36.3 Ų | 36.3 | 26% | 0.258 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -58.5 | -26.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | I724 F728 K729 | I724-G726 PolarHBondContact O-N 3.4Å; G726-F728 PolarHBondContact O-N 3.15Å; G726-K729 WeakPolarHBondContact O-CB 3.39Å; G726-K729 WeakPolarHBondContact O-CE 3.43Å; G726-K729 VanDerWaalsContact O-CG 3.3Å; G726-K729 WeakPolarHBondContact O-CG 3.47Å; G726-K729 PolarHBondContact O-N 3.07Å |
| 727 | E | 93.8 | Very high | 95.1 | Very high | 120 Ų | 120 | 39.9 Ų | 39.9 | 56% | 0.561 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -68.2 | -16.2 | 177.3 | -64.7 | -60.1 | 139.1 | 0 | 0 | 112.5 | L686 I724 G725 K729 K730 | L686-E727 HydrophobicContact CD1-CB 3.65Å; L686-E727 HydrophobicContact CD1-CG 3.94Å; L686-E727 HydrophobicContact CD2-CG 3.98Å; I724-E727 HydrophobicContact CB-CB 4.24Å; I724-E727 HydrophobicContact CD1-CB 4.28Å; I724-E727 HydrophobicContact CG1-CB 4.26Å; I724-E727 PolarHBondContact O-N 2.9Å; I724-E727 VanDerWaalsContact O-N 3.15Å; G725-E727 PolarHBondContact O-N 2.68Å; G725-E727 VanDerWaalsContact O-N 3.15Å; E727-K729 PolarHBondContact O-N 3.33Å; E727-K729 VanDerWaalsContact O-N 3.12Å; E727-K730 PolarHBondContact O-N 2.92Å |
| 728 | F | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -64.9 | -14.9 | 176 | -164.1 | -99.3 | 0 | 0 | 0 | 113.6 | M693 I720 A721 I724 G725 G726 K730 Y731 L732 V735 I772 | M693-F728 HydrophobicContact CE-CE2 4.44Å; I720-F728 HydrophobicContact CB-CE2 4.43Å; I720-F728 HydrophobicContact CG2-CD2 4.09Å; I720-F728 HydrophobicContact CG2-CE2 4.06Å; A721-F728 HydrophobicContact CB-CB 4.37Å; A721-F728 HydrophobicContact CB-CD1 3.89Å; A721-F728 HydrophobicContact CB-CD2 3.72Å; A721-F728 HydrophobicContact CB-CE1 4.04Å; A721-F728 HydrophobicContact CB-CE2 3.88Å; A721-F728 HydrophobicContact CB-CG 3.72Å; A721-F728 HydrophobicContact CB-CZ 4.02Å; I724-F728 HydrophobicContact CD1-CB 4.13Å; I724-F728 HydrophobicContact CD1-CD2 4.05Å; I724-F728 HydrophobicContact CG1-CB 3.94Å; I724-F728 HydrophobicContact CG1-CD2 4.31Å; G725-F728 WeakPolarHBondContact O-CB 3.4Å; G725-F728 PolarHBondContact O-N 3.36Å; G726-F728 PolarHBondContact O-N 3.15Å; F728-K730 PolarHBondContact O-N 3.07Å; F728-Y731 HydrophobicContact CD2-CD2 4.06Å; F728-Y731 HydrophobicContact CE2-CD2 4.32Å; F728-Y731 PolarHBondContact O-N 3.43Å; F728-L732 HydrophobicContact CD1-CD1 4.23Å; F728-L732 HydrophobicContact CE1-CD1 4.26Å; F728-L732 PolarHBondContact O-N 3.45Å; F728-V735 HydrophobicContact CE1-CB 4.45Å; F728-V735 HydrophobicContact CE1-CG1 4.46Å; F728-V735 HydrophobicContact CE1-CG2 4.49Å; F728-V735 HydrophobicContact CZ-CB 4.29Å; F728-V735 HydrophobicContact CZ-CG1 4.18Å; F728-V735 HydrophobicContact CZ-CG2 3.95Å; F728-I772 HydrophobicContact CD1-CG1 4.44Å; F728-I772 HydrophobicContact CE1-CD1 4.11Å; F728-I772 HydrophobicContact CE1-CG1 3.78Å; F728-I772 HydrophobicContact CZ-CG1 4.27Å |
| 729 | K | 93.8 | Very high | 94.9 | Very high | 92 Ų | 92 | 41.2 Ų | 41.2 | 40% | 0.4 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -50.3 | -29.6 | 174.6 | -76.5 | -178.6 | -73 | -160.7 | 0 | 113.7 | G726 E727 Y731 L776 D786 L789 | G726-K729 WeakPolarHBondContact O-CB 3.39Å; G726-K729 WeakPolarHBondContact O-CE 3.43Å; G726-K729 VanDerWaalsContact O-CG 3.3Å; G726-K729 WeakPolarHBondContact O-CG 3.47Å; G726-K729 PolarHBondContact O-N 3.07Å; E727-K729 PolarHBondContact O-N 3.33Å; E727-K729 VanDerWaalsContact O-N 3.12Å; K729-Y731 PolarHBondContact O-N 2.95Å; K729-L776 HydrophobicContact CG-CD2 4.42Å; K729-D786 HydrophobicContact CD-CB 4.41Å; K729-D786 VanDerWaalsContact CE-OD2 3.3Å; K729-D786 WeakPolarHBondContact CE-OD2 3.39Å; K729-D786 IonicContact NZ-OD1 3.88Å; K729-D786 PolarHBondContact NZ-OD1 3.32Å; K729-D786 IonicContact NZ-OD2 2.63Å; K729-D786 PolarHBondContact NZ-OD2 3.46Å; K729-L789 HydrophobicContact CD-CD1 3.68Å; K729-L789 HydrophobicContact CG-CD1 3.73Å |
| 730 | K | 95.1 | Very high | 94.8 | Very high | 129 Ų | 129 | 41.9 Ų | 41.9 | 56% | 0.561 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -61.3 | -31.2 | 177.4 | -176.5 | 179.1 | 174.1 | -175.2 | 0 | 113.3 | D690 E727 F728 | D690-K730 IonicContact OD1-NZ 2.69Å; D690-K730 PolarHBondContact OD1-NZ 3.3Å; D690-K730 IonicContact OD2-NZ 2.75Å; D690-K730 PolarHBondContact OD2-NZ 3.06Å; E727-K730 PolarHBondContact O-N 2.92Å; F728-K730 PolarHBondContact O-N 3.07Å |
| 731 | Y | 96.1 | Very high | 94.5 | Very high | 19 Ų | 19 | 48.6 Ų | 48.6 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -14.3 | -174.5 | -48.2 | -68.8 | 0 | 0 | 0 | 113.3 | D690 M693 I724 F728 K729 D733 I734 V735 | D690-Y731 VanDerWaalsContact CA-OH 3.32Å; D690-Y731 WeakPolarHBondContact CA-OH 3.31Å; D690-Y731 PolarHBondContact N-OH 3.3Å; D690-Y731 PolarHBondContact OD1-OH 2.83Å; M693-Y731 HydrophobicContact CB-CD1 4.03Å; M693-Y731 HydrophobicContact CB-CE1 3.72Å; M693-Y731 HydrophobicContact CE-CD1 4.04Å; M693-Y731 HydrophobicContact CE-CD2 4.33Å; M693-Y731 HydrophobicContact CE-CG 3.78Å; M693-Y731 HydrophobicContact CG-CD1 4.05Å; M693-Y731 HydrophobicContact CG-CD2 4.14Å; M693-Y731 HydrophobicContact CG-CE1 3.86Å; M693-Y731 HydrophobicContact CG-CE2 3.97Å; M693-Y731 HydrophobicContact CG-CG 4.17Å; I724-Y731 HydrophobicContact CD1-CE2 4.16Å; F728-Y731 HydrophobicContact CD2-CD2 4.06Å; F728-Y731 HydrophobicContact CE2-CD2 4.32Å; F728-Y731 PolarHBondContact O-N 3.43Å; K729-Y731 PolarHBondContact O-N 2.95Å; Y731-D733 PolarHBondContact O-N 2.86Å; Y731-I734 PolarHBondContact O-N 3.12Å; Y731-I734 VanDerWaalsContact O-N 3.15Å; Y731-V735 WeakPolarHBondContact O-CG2 3.39Å; Y731-V735 PolarHBondContact O-N 3.17Å |
| 732 | L | 94.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -51.5 | -48.6 | -166.9 | -174.3 | 63.2 | 0 | 0 | 0 | 113.3 | F728 I734 V735 L736 I772 L776 L789 V790 | F728-L732 HydrophobicContact CD1-CD1 4.23Å; F728-L732 HydrophobicContact CE1-CD1 4.26Å; F728-L732 PolarHBondContact O-N 3.45Å; L732-I734 PolarHBondContact O-N 2.91Å; L732-V735 PolarHBondContact O-N 3.08Å; L732-L736 HydrophobicContact CD1-CD1 3.77Å; L732-L736 HydrophobicContact CD1-CG 3.97Å; L732-L736 HydrophobicContact CD2-CD1 4.49Å; L732-L736 HydrophobicContact CG-CD1 3.73Å; L732-L736 HydrophobicContact CG-CG 4.3Å; L732-L736 WeakPolarHBondContact O-CB 3.33Å; L732-L736 WeakPolarHBondContact O-CG 3.45Å; L732-L736 PolarHBondContact O-N 3.38Å; L732-I772 HydrophobicContact CD1-CG2 3.65Å; L732-L776 HydrophobicContact CD1-CD1 4.02Å; L732-L776 HydrophobicContact CD2-CD1 3.99Å; L732-L789 HydrophobicContact CD2-CB 3.74Å; L732-L789 HydrophobicContact CD2-CD1 4.11Å; L732-V790 HydrophobicContact CD1-CG2 4.17Å; L732-V790 HydrophobicContact CD2-CG2 4.37Å |
| 733 | D | 94.2 | Very high | 94.1 | Very high | 118 Ų | 118 | 45.9 Ų | 45.9 | 63% | 0.631 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62.7 | -45.8 | -177.5 | -68.8 | -31.1 | 0 | 0 | 0 | 112.2 | Y731 D737 | Y731-D733 PolarHBondContact O-N 2.86Å; D733-D737 PolarHBondContact O-N 2.87Å |
| 734 | I | 95.3 | Very high | 94 | Very high | 94 Ų | 94 | 50.8 Ų | 50.8 | 48% | 0.482 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.8 | -47.2 | -179.8 | -60.8 | 173.9 | 0 | 0 | 0 | 109.8 | L697 Y731 L732 L736 D737 T738 | L697-I734 HydrophobicContact CD1-CG2 4.09Å; L697-I734 HydrophobicContact CD2-CG2 3.79Å; Y731-I734 PolarHBondContact O-N 3.12Å; Y731-I734 VanDerWaalsContact O-N 3.15Å; L732-I734 PolarHBondContact O-N 2.91Å; I734-L736 PolarHBondContact O-N 3.1Å; I734-D737 PolarHBondContact O-N 3.12Å; I734-T738 PolarHBondContact O-N 2.96Å; I734-T738 PolarHBondContact O-OG1 3.27Å; I734-T738 VanDerWaalsContact O-OG1 3.06Å |
| 735 | V | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.7 | -41.6 | -178.5 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | M693 F717 F728 Y731 L732 D737 T738 L739 I772 | M693-V735 HydrophobicContact CE-CG2 3.74Å; F717-V735 HydrophobicContact CB-CG1 4.06Å; F717-V735 HydrophobicContact CD1-CG2 4.43Å; F717-V735 HydrophobicContact CD2-CG1 3.77Å; F717-V735 HydrophobicContact CD2-CG2 4.21Å; F717-V735 HydrophobicContact CE2-CG1 4.44Å; F717-V735 HydrophobicContact CE2-CG2 4.32Å; F717-V735 HydrophobicContact CG-CG1 4.07Å; F717-V735 HydrophobicContact CG-CG2 4.27Å; F717-V735 HydrophobicContact CZ-CG2 4.49Å; F728-V735 HydrophobicContact CE1-CB 4.45Å; F728-V735 HydrophobicContact CE1-CG1 4.46Å; F728-V735 HydrophobicContact CE1-CG2 4.49Å; F728-V735 HydrophobicContact CZ-CB 4.29Å; F728-V735 HydrophobicContact CZ-CG1 4.18Å; F728-V735 HydrophobicContact CZ-CG2 3.95Å; Y731-V735 WeakPolarHBondContact O-CG2 3.39Å; Y731-V735 PolarHBondContact O-N 3.17Å; L732-V735 PolarHBondContact O-N 3.08Å; V735-D737 PolarHBondContact O-N 3.28Å; V735-T738 WeakPolarHBondContact O-CB 3.03Å; V735-T738 PolarHBondContact O-N 3.13Å; V735-L739 HydrophobicContact CG1-CD1 3.95Å; V735-L739 HydrophobicContact CG1-CG 4.33Å; V735-L739 WeakPolarHBondContact O-CB 3.33Å; V735-L739 VanDerWaalsContact O-CG 3.31Å; V735-L739 WeakPolarHBondContact O-CG 3.49Å; V735-L739 PolarHBondContact O-N 3.25Å; V735-I772 HydrophobicContact CG1-CD1 3.81Å |
| 736 | L | 95.1 | Very high | 93.1 | Very high | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 177 | -71.9 | 173.7 | 0 | 0 | 0 | 112.1 | L732 I734 T738 L739 Q740 Y769 R793 | L732-L736 HydrophobicContact CD1-CD1 3.77Å; L732-L736 HydrophobicContact CD1-CG 3.97Å; L732-L736 HydrophobicContact CD2-CD1 4.49Å; L732-L736 HydrophobicContact CG-CD1 3.73Å; L732-L736 HydrophobicContact CG-CG 4.3Å; L732-L736 WeakPolarHBondContact O-CB 3.33Å; L732-L736 WeakPolarHBondContact O-CG 3.45Å; L732-L736 PolarHBondContact O-N 3.38Å; I734-L736 PolarHBondContact O-N 3.1Å; L736-T738 VanDerWaalsContact C-N 3.35Å; L736-L739 PolarHBondContact O-N 3.1Å; L736-Q740 VanDerWaalsContact O-CB 3.24Å; L736-Q740 WeakPolarHBondContact O-CB 3.4Å; L736-Q740 PolarHBondContact O-N 3.3Å; L736-Y769 HydrophobicContact CD2-CD1 4.36Å; L736-Y769 HydrophobicContact CD2-CE1 3.92Å; L736-R793 HydrophobicContact CD1-CG 4.16Å |
| 737 | D | 94.3 | Very high | 92.9 | Very high | 75 Ų | 75 | 58.9 Ų | 58.9 | 40% | 0.401 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68.6 | -35 | 176.2 | -74.7 | -14 | 0 | 0 | 0 | 111.8 | D733 I734 V735 Q740 Q741 R793 | D733-D737 PolarHBondContact O-N 2.87Å; I734-D737 PolarHBondContact O-N 3.12Å; V735-D737 PolarHBondContact O-N 3.28Å; D737-Q740 WeakPolarHBondContact O-CB 3.43Å; D737-Q741 WeakPolarHBondContact O-CG 3.23Å; D737-Q741 PolarHBondContact O-N 3.28Å; D737-R793 IonicContact OD1-CZ 3.09Å; D737-R793 IonicContact OD1-NH1 2.84Å; D737-R793 IonicContact OD1-NH2 3.18Å; D737-R793 PolarHBondContact OD1-NH2 3.29Å |
| 738 | T | 94.1 | Very high | 92 | Very high | 30 Ų | 30 | 56.5 Ų | 56.5 | 18% | 0.184 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.4 | -48.3 | 171.3 | -62.4 | 0 | 0 | 0 | 0 | 111.9 | L700 L714 I734 V735 L736 Q740 Q741 A742 | L700-T738 HydrophobicContact CD1-CG2 3.86Å; L714-T738 HydrophobicContact CD2-CG2 4Å; I734-T738 PolarHBondContact O-N 2.96Å; I734-T738 PolarHBondContact O-OG1 3.27Å; I734-T738 VanDerWaalsContact O-OG1 3.06Å; V735-T738 WeakPolarHBondContact O-CB 3.03Å; V735-T738 PolarHBondContact O-N 3.13Å; L736-T738 VanDerWaalsContact C-N 3.35Å; T738-Q740 VanDerWaalsContact C-N 3.28Å; T738-Q740 PolarHBondContact O-N 3.42Å; T738-Q741 PolarHBondContact O-N 3.16Å; T738-Q741 VanDerWaalsContact O-N 3.13Å; T738-A742 PolarHBondContact O-N 3.38Å |
| 739 | L | 95 | Very high | 91.1 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 178.1 | -72 | 170.6 | 0 | 0 | 0 | 111.8 | L714 V735 L736 Q741 A742 S743 C765 A768 Y769 I772 | L714-L739 HydrophobicContact CB-CD2 4.31Å; L714-L739 HydrophobicContact CD1-CD2 4.39Å; L714-L739 HydrophobicContact CD2-CD2 3.9Å; L714-L739 HydrophobicContact CG-CD2 4.42Å; V735-L739 HydrophobicContact CG1-CD1 3.95Å; V735-L739 HydrophobicContact CG1-CG 4.33Å; V735-L739 WeakPolarHBondContact O-CB 3.33Å; V735-L739 VanDerWaalsContact O-CG 3.31Å; V735-L739 WeakPolarHBondContact O-CG 3.49Å; V735-L739 PolarHBondContact O-N 3.25Å; L736-L739 PolarHBondContact O-N 3.1Å; L739-Q741 VanDerWaalsContact C-N 3.31Å; L739-Q741 PolarHBondContact O-N 3.4Å; L739-A742 PolarHBondContact O-N 3.15Å; L739-S743 VanDerWaalsContact O-CB 3.32Å; L739-S743 WeakPolarHBondContact O-CB 3.38Å; L739-S743 PolarHBondContact O-N 3.12Å; L739-S743 PolarHBondContact O-OG 2.94Å; L739-C765 HydrophobicContact CD2-CB 4.35Å; L739-A768 HydrophobicContact CD1-CB 3.81Å; L739-A768 HydrophobicContact CD2-CB 3.48Å; L739-A768 VanDerWaalsContact CD2-CB 3.48Å; L739-A768 HydrophobicContact CG-CB 4.27Å; L739-Y769 HydrophobicContact CB-CE1 4.09Å; L739-Y769 HydrophobicContact CB-CE2 4.25Å; L739-Y769 WeakPolarHBondContact CB-OH 3.47Å; L739-Y769 HydrophobicContact CD1-CD1 3.98Å; L739-Y769 HydrophobicContact CD1-CE1 3.81Å; L739-Y769 HydrophobicContact CD1-CG 4.45Å; L739-I772 HydrophobicContact CD1-CD1 3.75Å |
| 740 | Q | 94 | Very high | 90 | Very high | 33 Ų | 33 | 61.7 Ų | 61.7 | 15% | 0.154 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.8 | -39.7 | 174.2 | 179.9 | 76.7 | 53.6 | 0 | 0 | 112.2 | L736 D737 T738 S743 Q744 F796 | L736-Q740 VanDerWaalsContact O-CB 3.24Å; L736-Q740 WeakPolarHBondContact O-CB 3.4Å; L736-Q740 PolarHBondContact O-N 3.3Å; D737-Q740 WeakPolarHBondContact O-CB 3.43Å; T738-Q740 VanDerWaalsContact C-N 3.28Å; T738-Q740 PolarHBondContact O-N 3.42Å; Q740-S743 PolarHBondContact O-OG 3.44Å; Q740-Q744 VanDerWaalsContact O-CG 3.3Å; Q740-Q744 WeakPolarHBondContact O-CG 3.43Å; Q740-F796 HydrophobicContact CB-CE1 4.46Å; Q740-F796 VanDerWaalsContact CD-CE1 3.47Å; Q740-F796 HydrophobicContact CG-CE1 4.45Å |
| 741 | Q | 91.7 | Very high | 89 | Confident | 143 Ų | 143 | 58.7 Ų | 58.7 | 67% | 0.668 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -72.6 | -45.5 | 176.8 | -69.6 | 171.9 | 25.1 | 0 | 0 | 111.5 | D737 T738 L739 S743 Q744 | D737-Q741 WeakPolarHBondContact O-CG 3.23Å; D737-Q741 PolarHBondContact O-N 3.28Å; T738-Q741 PolarHBondContact O-N 3.16Å; T738-Q741 VanDerWaalsContact O-N 3.13Å; L739-Q741 VanDerWaalsContact C-N 3.31Å; L739-Q741 PolarHBondContact O-N 3.4Å; Q741-S743 PolarHBondContact O-N 3.16Å; Q741-Q744 PolarHBondContact O-N 2.81Å |
| 742 | A | 91.6 | Very high | 88 | Confident | 21 Ų | 21 | 66.3 Ų | 66.3 | 17% | 0.174 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.1 | -41.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L714 T738 L739 Q744 A745 L761 | L714-A742 HydrophobicContact CD1-CB 3.74Å; T738-A742 PolarHBondContact O-N 3.38Å; L739-A742 PolarHBondContact O-N 3.15Å; A742-Q744 PolarHBondContact O-N 3.15Å; A742-A745 WeakPolarHBondContact O-CB 3.47Å; A742-A745 PolarHBondContact O-N 2.9Å; A742-A745 VanDerWaalsContact O-N 3.07Å; A742-L761 HydrophobicContact CB-CD1 4.36Å |
| 743 | S | 92.2 | Very high | 87.3 | Confident | 10 Ų | 10 | 71.2 Ų | 71.2 | 7% | 0.07 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -10.4 | 177.7 | 50.8 | 0 | 0 | 0 | 0 | 114.8 | L739 Q740 Q741 F796 F800 | L739-S743 VanDerWaalsContact O-CB 3.32Å; L739-S743 WeakPolarHBondContact O-CB 3.38Å; L739-S743 PolarHBondContact O-N 3.12Å; L739-S743 PolarHBondContact O-OG 2.94Å; Q740-S743 PolarHBondContact O-OG 3.44Å; Q741-S743 PolarHBondContact O-N 3.16Å; S743-F796 WeakPolarHBondContact OG-CE1 3.28Å; S743-F796 WeakPolarHBondContact OG-CZ 3.31Å; S743-F800 WeakPolarHBondContact O-CD2 3.14Å; S743-F800 WeakPolarHBondContact O-CE2 3.39Å |
| 744 | Q | 92.1 | Very high | 86.9 | Confident | 118 Ų | 118 | 67.9 Ų | 67.9 | 55% | 0.551 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 2.8 | 173.8 | -69.1 | 176.1 | -7.9 | 0 | 0 | 112.8 | Q740 Q741 A742 F796 | Q740-Q744 VanDerWaalsContact O-CG 3.3Å; Q740-Q744 WeakPolarHBondContact O-CG 3.43Å; Q741-Q744 PolarHBondContact O-N 2.81Å; A742-Q744 PolarHBondContact O-N 3.15Å; Q744-F796 HydrophobicContact CG-CE2 4.46Å; Q744-F796 HydrophobicContact CG-CZ 4.32Å |
| 745 | A | 88.2 | Confident | 86.4 | Confident | 35 Ų | 35 | 64.1 Ų | 64.1 | 29% | 0.289 | 33% | 0.325 | S | S | . | . | trans | -60.2 | 137.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A742 L758 L761 | A742-A745 WeakPolarHBondContact O-CB 3.47Å; A742-A745 PolarHBondContact O-N 2.9Å; A742-A745 VanDerWaalsContact O-N 3.07Å; A745-L758 HydrophobicContact CB-CD1 4.28Å; A745-L761 HydrophobicContact CB-CD2 3.69Å | ||
| 746 | Q | 82.8 | Confident | 86.1 | Confident | 159 Ų | 159 | 69.1 Ų | 69.1 | 74% | 0.743 | 35% | 0.352 | S | S | * | . | trans | -130 | 144.1 | 174 | -67.1 | -174.2 | -13.4 | 0 | 0 | 108.1 | ||||
| 747 | V | 85 | Confident | 85.9 | Confident | 30 Ų | 30 | 70.6 Ų | 70.6 | 18% | 0.182 | 36% | 0.357 | C | S | . | . | trans | -128.7 | 164.6 | -178.8 | -54.2 | 0 | 0 | 0 | 0 | 109.7 | K749 M754 L758 | V747-K749 PolarHBondContact O-N 3.44Å; V747-M754 HydrophobicContact CB-CB 3.98Å; V747-M754 HydrophobicContact CB-CE 4.06Å; V747-M754 HydrophobicContact CG1-CB 4.47Å; V747-M754 HydrophobicContact CG1-CE 3.76Å; V747-M754 HydrophobicContact CG2-CB 4.13Å; V747-M754 WeakPolarHBondContact CG2-O 3.32Å; V747-L758 HydrophobicContact CG1-CB 4.02Å; V747-L758 HydrophobicContact CG1-CD1 4.47Å; V747-L758 HydrophobicContact CG1-CD2 4.41Å; V747-L758 HydrophobicContact CG2-CB 3.89Å; V747-L758 HydrophobicContact CG2-CD2 3.68Å; V747-L758 HydrophobicContact CG2-CG 4.38Å | ||
| 748 | D | 75.4 | Confident | 85.8 | Confident | 70 Ų | 70 | 67.6 Ų | 67.6 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | trans | -68.4 | 125.8 | 168.5 | -170.6 | -13.3 | 0 | 0 | 0 | 109.5 | T750 | D748-T750 VanDerWaalsContact C-N 3.27Å; D748-T750 WeakPolarHBondContact OD1-CB 3.34Å; D748-T750 PolarHBondContact OD1-N 2.88Å; D748-T750 PolarHBondContact OD1-OG1 2.86Å; D748-T750 PolarHBondContact OD2-OG1 2.91Å; D748-T750 VanDerWaalsContact OD2-OG1 3.11Å | ||
| 749 | K | 76.4 | Confident | 85.8 | Confident | 108 Ų | 108 | 66.6 Ų | 66.6 | 47% | 0.47 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -8.5 | -179.2 | -63.3 | -164.6 | 176.3 | -157.6 | 0 | 113.4 | V747 D751 D807 D809 | V747-K749 PolarHBondContact O-N 3.44Å; K749-D751 VanDerWaalsContact C-N 3.33Å; K749-D807 VanDerWaalsContact NZ-CG 3.35Å; K749-D807 IonicContact NZ-OD1 2.9Å; K749-D807 PolarHBondContact NZ-OD1 3.21Å; K749-D807 IonicContact NZ-OD2 3.89Å; K749-D809 IonicContact NZ-OD2 3.28Å |
| 750 | T | 70.4 | Confident | 85.8 | Confident | 92 Ų | 92 | 69.5 Ų | 69.5 | 56% | 0.564 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -18.3 | 175.2 | 67.1 | 0 | 0 | 0 | 0 | 112.4 | D748 | D748-T750 VanDerWaalsContact C-N 3.27Å; D748-T750 WeakPolarHBondContact OD1-CB 3.34Å; D748-T750 PolarHBondContact OD1-N 2.88Å; D748-T750 PolarHBondContact OD1-OG1 2.86Å; D748-T750 PolarHBondContact OD2-OG1 2.91Å; D748-T750 VanDerWaalsContact OD2-OG1 3.11Å |
| 751 | D | 75.1 | Confident | 85.8 | Confident | 67 Ų | 67 | 68.3 Ų | 68.3 | 36% | 0.358 | 34% | 0.343 | S | S | . | . | trans | -97.2 | 101.4 | 176.3 | -177.1 | -9.6 | 0 | 0 | 0 | 110 | K749 D753 M754 V755 | K749-D751 VanDerWaalsContact C-N 3.33Å; D751-D753 VanDerWaalsContact C-N 3.27Å; D751-D753 PolarHBondContact O-N 2.84Å; D751-D753 WeakPolarHBondContact OD1-CB 3.15Å; D751-D753 PolarHBondContact OD1-N 3.18Å; D751-D753 VanDerWaalsContact OD1-N 3.08Å; D751-M754 HydrophobicContact CB-CB 4.02Å; D751-M754 HydrophobicContact CB-CG 4.09Å; D751-M754 WeakPolarHBondContact O-CB 3.36Å; D751-M754 PolarHBondContact O-N 3.18Å; D751-M754 PolarHBondContact OD1-N 2.94Å; D751-M754 WeakPolarHBondContact OD2-CG 3.38Å; D751-V755 WeakPolarHBondContact O-CG2 3.42Å; D751-V755 PolarHBondContact O-N 2.98Å | ||
| 752 | Y | 75.3 | Confident | 86 | Confident | 179 Ų | 179 | 62 Ų | 62 | 70% | 0.702 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -58.7 | -35.3 | -179.4 | -71.8 | -77.9 | 0 | 0 | 0 | 113 | M754 V755 D756 | Y752-M754 PolarHBondContact O-N 3.21Å; Y752-V755 PolarHBondContact O-N 3.01Å; Y752-D756 PolarHBondContact O-N 3.27Å |
| 753 | D | 80.3 | Confident | 86.2 | Confident | 109 Ų | 109 | 63.5 Ų | 63.5 | 58% | 0.583 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.6 | -34.8 | 177.1 | -70.1 | -18.7 | 0 | 0 | 0 | 111 | D751 Y757 | D751-D753 VanDerWaalsContact C-N 3.27Å; D751-D753 PolarHBondContact O-N 2.84Å; D751-D753 WeakPolarHBondContact OD1-CB 3.15Å; D751-D753 PolarHBondContact OD1-N 3.18Å; D751-D753 VanDerWaalsContact OD1-N 3.08Å; D753-Y757 WeakPolarHBondContact O-CB 3.41Å; D753-Y757 PolarHBondContact O-N 3.5Å; D753-Y757 VanDerWaalsContact O-N 3.08Å |
| 754 | M | 84.3 | Confident | 86.3 | Confident | 47 Ų | 47 | 63.1 Ų | 63.1 | 23% | 0.232 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -77.3 | -33.9 | 178 | -72 | -66.2 | -72.9 | 0 | 0 | 112.4 | R707 V747 D751 Y752 Y757 L758 | R707-M754 PolarHBondContact NH1-SD 2.98Å; V747-M754 HydrophobicContact CB-CB 3.98Å; V747-M754 HydrophobicContact CB-CE 4.06Å; V747-M754 HydrophobicContact CG1-CB 4.47Å; V747-M754 HydrophobicContact CG1-CE 3.76Å; V747-M754 HydrophobicContact CG2-CB 4.13Å; V747-M754 WeakPolarHBondContact CG2-O 3.32Å; D751-M754 HydrophobicContact CB-CB 4.02Å; D751-M754 HydrophobicContact CB-CG 4.09Å; D751-M754 WeakPolarHBondContact O-CB 3.36Å; D751-M754 PolarHBondContact O-N 3.18Å; D751-M754 PolarHBondContact OD1-N 2.94Å; D751-M754 WeakPolarHBondContact OD2-CG 3.38Å; Y752-M754 PolarHBondContact O-N 3.21Å; M754-Y757 PolarHBondContact O-N 3.47Å; M754-Y757 HydrophobicContact SD-CD1 4.49Å; M754-L758 WeakPolarHBondContact O-CB 3.46Å; M754-L758 PolarHBondContact O-N 3.05Å |
| 755 | V | 86.1 | Confident | 86.6 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 10% | 0.097 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 171.7 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | D751 Y752 Y757 L758 N759 D809 | D751-V755 WeakPolarHBondContact O-CG2 3.42Å; D751-V755 PolarHBondContact O-N 2.98Å; Y752-V755 PolarHBondContact O-N 3.01Å; V755-Y757 PolarHBondContact O-N 2.94Å; V755-L758 WeakPolarHBondContact O-CB 3.28Å; V755-L758 PolarHBondContact O-N 3.01Å; V755-N759 PolarHBondContact O-N 2.85Å; V755-N759 PolarHBondContact O-ND2 2.85Å; V755-D809 HydrophobicContact CG1-CB 3.78Å |
| 756 | D | 88.6 | Confident | 87 | Confident | 105 Ų | 105 | 55.9 Ų | 55.9 | 56% | 0.561 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.1 | -44.7 | 176.8 | -76.3 | -16.7 | 0 | 0 | 0 | 111.8 | Y752 L758 N759 E760 | Y752-D756 PolarHBondContact O-N 3.27Å; D756-L758 VanDerWaalsContact C-N 3.32Å; D756-L758 PolarHBondContact O-N 3.17Å; D756-N759 PolarHBondContact O-N 2.72Å; D756-E760 PolarHBondContact O-N 2.96Å |
| 757 | Y | 90.7 | Very high | 87.7 | Confident | 36 Ų | 36 | 51.2 Ų | 51.2 | 14% | 0.141 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.8 | -40.8 | 173.8 | 168.5 | -107.5 | 0 | 0 | 0 | 112.6 | R707 P711 D753 M754 V755 N759 E760 L761 | R707-Y757 HydrophobicContact CB-CD2 4.16Å; R707-Y757 HydrophobicContact CB-CE1 4.49Å; R707-Y757 HydrophobicContact CB-CE2 3.65Å; R707-Y757 HydrophobicContact CG-CD2 4.17Å; R707-Y757 HydrophobicContact CG-CE2 4.16Å; R707-Y757 WeakPolarHBondContact O-CE2 3.35Å; P711-Y757 HydrophobicContact CG-CE2 4.07Å; D753-Y757 WeakPolarHBondContact O-CB 3.41Å; D753-Y757 PolarHBondContact O-N 3.5Å; D753-Y757 VanDerWaalsContact O-N 3.08Å; M754-Y757 PolarHBondContact O-N 3.47Å; M754-Y757 HydrophobicContact SD-CD1 4.49Å; V755-Y757 PolarHBondContact O-N 2.94Å; Y757-N759 VanDerWaalsContact C-N 3.31Å; Y757-N759 PolarHBondContact O-N 3.3Å; Y757-E760 PolarHBondContact O-N 3.16Å; Y757-L761 WeakPolarHBondContact O-CB 3.32Å; Y757-L761 PolarHBondContact O-N 3.29Å |
| 758 | L | 92.6 | Very high | 88.3 | Confident | 11 Ų | 11 | 49.8 Ų | 49.8 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.9 | -39.7 | 176.9 | 179 | 60.2 | 0 | 0 | 0 | 111 | A745 V747 M754 V755 D756 L761 R762 | A745-L758 HydrophobicContact CB-CD1 4.28Å; V747-L758 HydrophobicContact CG1-CB 4.02Å; V747-L758 HydrophobicContact CG1-CD1 4.47Å; V747-L758 HydrophobicContact CG1-CD2 4.41Å; V747-L758 HydrophobicContact CG2-CB 3.89Å; V747-L758 HydrophobicContact CG2-CD2 3.68Å; V747-L758 HydrophobicContact CG2-CG 4.38Å; M754-L758 WeakPolarHBondContact O-CB 3.46Å; M754-L758 PolarHBondContact O-N 3.05Å; V755-L758 WeakPolarHBondContact O-CB 3.28Å; V755-L758 PolarHBondContact O-N 3.01Å; D756-L758 VanDerWaalsContact C-N 3.32Å; D756-L758 PolarHBondContact O-N 3.17Å; L758-L761 PolarHBondContact O-N 3.07Å; L758-R762 HydrophobicContact CD1-CG 4.36Å; L758-R762 WeakPolarHBondContact O-CB 3.43Å; L758-R762 WeakPolarHBondContact O-CD 3.43Å; L758-R762 WeakPolarHBondContact O-CG 3.5Å; L758-R762 PolarHBondContact O-N 3.34Å |
| 759 | N | 93.9 | Very high | 89.3 | Confident | 10 Ų | 10 | 46.6 Ų | 46.6 | 5% | 0.053 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.2 | -44.8 | 174.4 | -76.8 | -40 | 0 | 0 | 0 | 111.7 | V755 D756 Y757 L761 R762 E763 D809 V814 | V755-N759 PolarHBondContact O-N 2.85Å; V755-N759 PolarHBondContact O-ND2 2.85Å; D756-N759 PolarHBondContact O-N 2.72Å; Y757-N759 VanDerWaalsContact C-N 3.31Å; Y757-N759 PolarHBondContact O-N 3.3Å; N759-L761 VanDerWaalsContact C-N 3.35Å; N759-L761 PolarHBondContact O-N 3.1Å; N759-R762 WeakPolarHBondContact O-CB 3.3Å; N759-R762 PolarHBondContact O-N 3.16Å; N759-E763 WeakPolarHBondContact O-CG 3.37Å; N759-E763 PolarHBondContact O-N 3.41Å; N759-D809 PolarHBondContact ND2-O 3.15Å; N759-D809 PolarHBondContact OD1-O 3.38Å; N759-V814 HydrophobicContact CB-CG2 4.05Å |
| 760 | E | 94.4 | Very high | 90.3 | Very high | 60 Ų | 60 | 43.1 Ų | 43.1 | 28% | 0.28 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.5 | -44.6 | 174.8 | -163.8 | -169.1 | 170.8 | 0 | 0 | 111.6 | P711 Q712 D756 Y757 R762 E763 G764 | P711-E760 HydrophobicContact CB-CG 3.88Å; P711-E760 HydrophobicContact CG-CB 4.39Å; P711-E760 HydrophobicContact CG-CG 4.09Å; Q712-E760 PolarHBondContact NE2-OE1 3.28Å; D756-E760 PolarHBondContact O-N 2.96Å; Y757-E760 PolarHBondContact O-N 3.16Å; E760-R762 VanDerWaalsContact C-N 3.35Å; E760-R762 PolarHBondContact O-N 3.49Å; E760-E763 PolarHBondContact O-N 3.04Å; E760-G764 PolarHBondContact O-N 3.01Å |
| 761 | L | 94.4 | Very high | 91.5 | Very high | 9 Ų | 9 | 38.9 Ų | 38.9 | 5% | 0.047 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.3 | -40 | 177 | -175.3 | 67.2 | 0 | 0 | 0 | 112.3 | P711 L714 A742 A745 Y757 L758 N759 G764 C765 | P711-L761 HydrophobicContact CG-CB 4.19Å; P711-L761 HydrophobicContact CG-CD1 4.08Å; L714-L761 HydrophobicContact CD1-CD1 3.77Å; A742-L761 HydrophobicContact CB-CD1 4.36Å; A745-L761 HydrophobicContact CB-CD2 3.69Å; Y757-L761 WeakPolarHBondContact O-CB 3.32Å; Y757-L761 PolarHBondContact O-N 3.29Å; L758-L761 PolarHBondContact O-N 3.07Å; N759-L761 VanDerWaalsContact C-N 3.35Å; N759-L761 PolarHBondContact O-N 3.1Å; L761-G764 PolarHBondContact O-N 3.32Å; L761-C765 PolarHBondContact O-N 3.39Å; L761-C765 PolarHBondContact O-SG 3.49Å |
| 762 | R | 95.8 | Very high | 92.5 | Very high | 11 Ų | 11 | 35.7 Ų | 35.7 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 175 | -76.1 | 165.6 | 170.2 | 175.2 | -2.8 | 110.8 | L758 N759 E760 C765 L766 F800 I804 D807 V814 | L758-R762 HydrophobicContact CD1-CG 4.36Å; L758-R762 WeakPolarHBondContact O-CB 3.43Å; L758-R762 WeakPolarHBondContact O-CD 3.43Å; L758-R762 WeakPolarHBondContact O-CG 3.5Å; L758-R762 PolarHBondContact O-N 3.34Å; N759-R762 WeakPolarHBondContact O-CB 3.3Å; N759-R762 PolarHBondContact O-N 3.16Å; E760-R762 VanDerWaalsContact C-N 3.35Å; E760-R762 PolarHBondContact O-N 3.49Å; R762-C765 WeakPolarHBondContact O-CB 3.38Å; R762-C765 PolarHBondContact O-N 3.29Å; R762-L766 VanDerWaalsContact O-CG 3.25Å; R762-L766 WeakPolarHBondContact O-CG 3.45Å; R762-L766 PolarHBondContact O-N 2.93Å; R762-F800 HydrophobicContact CB-CZ 4.19Å; R762-F800 HydrophobicContact CG-CE2 4.09Å; R762-F800 HydrophobicContact CG-CZ 3.95Å; R762-I804 HydrophobicContact CB-CD1 4.3Å; R762-I804 HydrophobicContact CG-CD1 4.31Å; R762-I804 HydrophobicContact CG-CG1 4.42Å; R762-D807 IonicContact CZ-OD2 3.44Å; R762-D807 VanDerWaalsContact CZ-OD2 3.29Å; R762-D807 IonicContact NH1-OD2 3.85Å; R762-D807 PolarHBondContact NH1-OD2 3.07Å; R762-D807 IonicContact NH2-OD2 3.74Å; R762-D807 PolarHBondContact NH2-OD2 3.47Å; R762-V814 HydrophobicContact CB-CG2 4.21Å |
| 763 | E | 95.5 | Very high | 93.5 | Very high | 51 Ų | 51 | 27.1 Ų | 27.1 | 24% | 0.238 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.6 | -51.1 | 174.9 | -71.9 | -177.5 | -163.7 | 0 | 0 | 111.3 | N759 E760 C765 L766 E767 S811 G813 V814 | N759-E763 WeakPolarHBondContact O-CG 3.37Å; N759-E763 PolarHBondContact O-N 3.41Å; E760-E763 PolarHBondContact O-N 3.04Å; E763-C765 VanDerWaalsContact C-N 3.27Å; E763-C765 PolarHBondContact O-N 2.9Å; E763-L766 PolarHBondContact O-N 3.02Å; E763-E767 WeakPolarHBondContact O-CG 3.46Å; E763-E767 PolarHBondContact O-N 2.9Å; E763-S811 PolarHBondContact OE1-OG 2.98Å; E763-G813 VanDerWaalsContact OE1-C 3.3Å; E763-G813 VanDerWaalsContact OE1-CA 3.29Å; E763-G813 WeakPolarHBondContact OE1-CA 3.19Å; E763-V814 HydrophobicContact CG-CB 4.31Å; E763-V814 HydrophobicContact CG-CG2 3.53Å; E763-V814 PolarHBondContact OE1-N 3.34Å; E763-V814 VanDerWaalsContact OE1-N 3.1Å |
| 764 | G | 95.8 | Very high | 94.1 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.4 | -37.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E760 L761 A768 | E760-G764 PolarHBondContact O-N 3.01Å; L761-G764 PolarHBondContact O-N 3.32Å; G764-A768 WeakPolarHBondContact O-CB 3.39Å; G764-A768 PolarHBondContact O-N 2.96Å |
| 765 | C | 97.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.7 | -44.8 | 173.8 | -68.8 | 0 | 0 | 0 | 0 | 112.6 | L739 L761 R762 E763 A768 Y769 F800 | L739-C765 HydrophobicContact CD2-CB 4.35Å; L761-C765 PolarHBondContact O-N 3.39Å; L761-C765 PolarHBondContact O-SG 3.49Å; R762-C765 WeakPolarHBondContact O-CB 3.38Å; R762-C765 PolarHBondContact O-N 3.29Å; E763-C765 VanDerWaalsContact C-N 3.27Å; E763-C765 PolarHBondContact O-N 2.9Å; C765-A768 PolarHBondContact O-N 3.2Å; C765-Y769 WeakPolarHBondContact O-CD2 3.35Å; C765-Y769 PolarHBondContact O-N 3.48Å; C765-F800 HydrophobicContact CB-CE1 4.02Å; C765-F800 HydrophobicContact CB-CZ 4.17Å |
| 766 | L | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.8 | -41.2 | -178.9 | -67.7 | 167 | 0 | 0 | 0 | 111.3 | R762 E763 Y769 T770 F800 I801 I804 V814 N817 A818 L821 | R762-L766 VanDerWaalsContact O-CG 3.25Å; R762-L766 WeakPolarHBondContact O-CG 3.45Å; R762-L766 PolarHBondContact O-N 2.93Å; E763-L766 PolarHBondContact O-N 3.02Å; L766-Y769 PolarHBondContact O-N 3.26Å; L766-T770 WeakPolarHBondContact O-CB 3.36Å; L766-T770 PolarHBondContact O-N 2.94Å; L766-T770 PolarHBondContact O-OG1 2.93Å; L766-F800 HydrophobicContact CD2-CD1 4.16Å; L766-F800 HydrophobicContact CD2-CE1 3.77Å; L766-F800 HydrophobicContact CG-CE1 4.01Å; L766-I801 HydrophobicContact CD2-CG1 3.99Å; L766-I804 HydrophobicContact CD1-CD1 4.04Å; L766-I804 HydrophobicContact CD2-CD1 4.43Å; L766-V814 HydrophobicContact CD1-CG1 4.14Å; L766-N817 HydrophobicContact CB-CB 3.88Å; L766-N817 HydrophobicContact CD1-CB 4.06Å; L766-A818 HydrophobicContact CD1-CB 4.05Å; L766-A818 HydrophobicContact CD2-CB 4.39Å; L766-L821 HydrophobicContact CD2-CD2 3.64Å |
| 767 | E | 96.6 | Very high | 95 | Very high | 62 Ų | 62 | 18.3 Ų | 18.3 | 29% | 0.29 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -64.3 | -42.5 | 174.8 | -70.5 | -178.6 | 166.9 | 0 | 0 | 111.7 | S715 E763 Y769 T770 G771 N817 | S715-E767 WeakPolarHBondContact CB-OE2 3.27Å; S715-E767 PolarHBondContact OG-OE2 3.28Å; E763-E767 WeakPolarHBondContact O-CG 3.46Å; E763-E767 PolarHBondContact O-N 2.9Å; E767-Y769 PolarHBondContact O-N 3.27Å; E767-T770 WeakPolarHBondContact O-CB 3.46Å; E767-T770 PolarHBondContact O-N 3.12Å; E767-G771 PolarHBondContact O-N 3.31Å; E767-N817 PolarHBondContact OE1-ND2 2.83Å; E767-N817 VanDerWaalsContact OE1-ND2 3.12Å |
| 768 | A | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.9 | -49.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | L714 L739 G764 C765 T770 G771 I772 | L714-A768 WeakPolarHBondContact O-CB 3.49Å; L739-A768 HydrophobicContact CD1-CB 3.81Å; L739-A768 HydrophobicContact CD2-CB 3.48Å; L739-A768 VanDerWaalsContact CD2-CB 3.48Å; L739-A768 HydrophobicContact CG-CB 4.27Å; G764-A768 WeakPolarHBondContact O-CB 3.39Å; G764-A768 PolarHBondContact O-N 2.96Å; C765-A768 PolarHBondContact O-N 3.2Å; A768-T770 VanDerWaalsContact C-N 3.32Å; A768-T770 PolarHBondContact O-N 3.49Å; A768-G771 PolarHBondContact O-N 2.93Å; A768-I772 WeakPolarHBondContact O-CB 3.4Å; A768-I772 WeakPolarHBondContact O-CD1 3.25Å; A768-I772 WeakPolarHBondContact O-CG1 3.11Å; A768-I772 PolarHBondContact O-N 3.15Å |
| 769 | Y | 97.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61 | -42.2 | 176.9 | -75.5 | -56.5 | 0 | 0 | 0 | 111.9 | L736 L739 C765 L766 E767 I772 I773 I797 L821 | L736-Y769 HydrophobicContact CD2-CD1 4.36Å; L736-Y769 HydrophobicContact CD2-CE1 3.92Å; L739-Y769 HydrophobicContact CB-CE1 4.09Å; L739-Y769 HydrophobicContact CB-CE2 4.25Å; L739-Y769 WeakPolarHBondContact CB-OH 3.47Å; L739-Y769 HydrophobicContact CD1-CD1 3.98Å; L739-Y769 HydrophobicContact CD1-CE1 3.81Å; L739-Y769 HydrophobicContact CD1-CG 4.45Å; C765-Y769 WeakPolarHBondContact O-CD2 3.35Å; C765-Y769 PolarHBondContact O-N 3.48Å; L766-Y769 PolarHBondContact O-N 3.26Å; E767-Y769 PolarHBondContact O-N 3.27Å; Y769-I772 PolarHBondContact O-N 3.33Å; Y769-I773 WeakPolarHBondContact O-CB 3.49Å; Y769-I773 WeakPolarHBondContact O-CD1 3.29Å; Y769-I773 VanDerWaalsContact O-CG1 3.26Å; Y769-I773 WeakPolarHBondContact O-CG1 3.35Å; Y769-I773 PolarHBondContact O-N 3.47Å; Y769-I797 HydrophobicContact CD1-CD1 3.59Å; Y769-I797 HydrophobicContact CD1-CG1 3.94Å; Y769-I797 HydrophobicContact CD2-CG1 4.3Å; Y769-I797 HydrophobicContact CE1-CD1 3.84Å; Y769-I797 HydrophobicContact CE1-CG1 3.82Å; Y769-I797 HydrophobicContact CE2-CG1 4.2Å; Y769-I797 HydrophobicContact CG-CD1 4.04Å; Y769-I797 HydrophobicContact CG-CG1 4.2Å; Y769-L821 HydrophobicContact CD2-CD2 4.34Å; Y769-L821 HydrophobicContact CG-CD2 4.43Å |
| 770 | T | 96.4 | Very high | 93.3 | Very high | 36 Ų | 36 | 32.7 Ų | 32.7 | 22% | 0.221 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.7 | -52.1 | 177 | -61.5 | 0 | 0 | 0 | 0 | 110.4 | L766 E767 A768 I772 I773 Q774 D824 | L766-T770 WeakPolarHBondContact O-CB 3.36Å; L766-T770 PolarHBondContact O-N 2.94Å; L766-T770 PolarHBondContact O-OG1 2.93Å; E767-T770 WeakPolarHBondContact O-CB 3.46Å; E767-T770 PolarHBondContact O-N 3.12Å; A768-T770 VanDerWaalsContact C-N 3.32Å; A768-T770 PolarHBondContact O-N 3.49Å; T770-I772 PolarHBondContact O-N 3.29Å; T770-I773 PolarHBondContact O-N 2.66Å; T770-Q774 WeakPolarHBondContact O-CB 3.36Å; T770-Q774 WeakPolarHBondContact O-CG 3.42Å; T770-Q774 PolarHBondContact O-N 3.31Å; T770-D824 VanDerWaalsContact CG2-OD2 3.27Å; T770-D824 WeakPolarHBondContact CG2-OD2 3.33Å |
| 771 | G | 95.8 | Very high | 92 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.8 | -40.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E767 A768 G775 | E767-G771 PolarHBondContact O-N 3.31Å; A768-G771 PolarHBondContact O-N 2.93Å; G771-G775 PolarHBondContact O-N 3.45Å |
| 772 | I | 96.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.6 | -46.7 | 176.2 | -67.8 | 165.4 | 0 | 0 | 0 | 111.3 | A721 F728 L732 V735 L739 A768 Y769 T770 L776 V790 | A721-I772 HydrophobicContact CB-CB 4.42Å; A721-I772 HydrophobicContact CB-CG1 3.89Å; F728-I772 HydrophobicContact CD1-CG1 4.44Å; F728-I772 HydrophobicContact CE1-CD1 4.11Å; F728-I772 HydrophobicContact CE1-CG1 3.78Å; F728-I772 HydrophobicContact CZ-CG1 4.27Å; L732-I772 HydrophobicContact CD1-CG2 3.65Å; V735-I772 HydrophobicContact CG1-CD1 3.81Å; L739-I772 HydrophobicContact CD1-CD1 3.75Å; A768-I772 WeakPolarHBondContact O-CB 3.4Å; A768-I772 WeakPolarHBondContact O-CD1 3.25Å; A768-I772 WeakPolarHBondContact O-CG1 3.11Å; A768-I772 PolarHBondContact O-N 3.15Å; Y769-I772 PolarHBondContact O-N 3.33Å; T770-I772 PolarHBondContact O-N 3.29Å; I772-L776 HydrophobicContact CG2-CD1 3.92Å; I772-L776 HydrophobicContact CG2-CG 4.48Å; I772-L776 WeakPolarHBondContact O-CB 3.46Å; I772-L776 VanDerWaalsContact O-CG 3.3Å; I772-L776 WeakPolarHBondContact O-CG 3.42Å; I772-L776 PolarHBondContact O-N 3.34Å; I772-V790 HydrophobicContact CG2-CG2 4.05Å |
| 773 | I | 95.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.1 | -46.3 | -178.2 | -71.4 | 160.5 | 0 | 0 | 0 | 110.4 | Y769 T770 K777 V787 V790 L821 D824 L825 A828 | Y769-I773 WeakPolarHBondContact O-CB 3.49Å; Y769-I773 WeakPolarHBondContact O-CD1 3.29Å; Y769-I773 VanDerWaalsContact O-CG1 3.26Å; Y769-I773 WeakPolarHBondContact O-CG1 3.35Å; Y769-I773 PolarHBondContact O-N 3.47Å; T770-I773 PolarHBondContact O-N 2.66Å; I773-K777 WeakPolarHBondContact O-CB 3.25Å; I773-K777 PolarHBondContact O-N 2.92Å; I773-V787 HydrophobicContact CG2-CG2 4.25Å; I773-V790 HydrophobicContact CG1-CG1 4.39Å; I773-L821 HydrophobicContact CD1-CD1 3.52Å; I773-D824 HydrophobicContact CG2-CB 4.47Å; I773-L825 HydrophobicContact CD1-CD2 3.52Å; I773-L825 HydrophobicContact CD1-CG 4.15Å; I773-A828 HydrophobicContact CG2-CB 3.8Å |
| 774 | Q | 94.1 | Very high | 89.8 | Confident | 47 Ų | 47 | 49.5 Ų | 49.5 | 22% | 0.22 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.2 | -45.6 | 178.5 | -71.4 | -67 | -4.8 | 0 | 0 | 111.9 | L722 T770 L776 K777 G778 D824 | L722-Q774 HydrophobicContact CD2-CB 3.51Å; T770-Q774 WeakPolarHBondContact O-CB 3.36Å; T770-Q774 WeakPolarHBondContact O-CG 3.42Å; T770-Q774 PolarHBondContact O-N 3.31Å; Q774-L776 VanDerWaalsContact C-N 3.34Å; Q774-L776 PolarHBondContact O-N 2.7Å; Q774-K777 PolarHBondContact O-N 3.41Å; Q774-G778 PolarHBondContact O-N 3.29Å; Q774-D824 WeakPolarHBondContact CG-OD2 3.41Å; Q774-D824 PolarHBondContact NE2-OD1 3.21Å; Q774-D824 PolarHBondContact NE2-OD2 3.29Å |
| 775 | G | 93.4 | Very high | 89.4 | Confident | 10 Ų | 10 | 53.7 Ų | 53.7 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | G725 G771 | G725-G775 VanDerWaalsContact CA-O 3.26Å; G725-G775 WeakPolarHBondContact CA-O 3.38Å; G771-G775 PolarHBondContact O-N 3.45Å |
| 776 | L | 93.2 | Very high | 89.1 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -79.5 | -24.1 | 177.9 | -65 | 179 | 0 | 0 | 0 | 113.8 | K729 L732 I772 Q774 H784 D786 V787 V790 | K729-L776 HydrophobicContact CG-CD2 4.42Å; L732-L776 HydrophobicContact CD1-CD1 4.02Å; L732-L776 HydrophobicContact CD2-CD1 3.99Å; I772-L776 HydrophobicContact CG2-CD1 3.92Å; I772-L776 HydrophobicContact CG2-CG 4.48Å; I772-L776 WeakPolarHBondContact O-CB 3.46Å; I772-L776 VanDerWaalsContact O-CG 3.3Å; I772-L776 WeakPolarHBondContact O-CG 3.42Å; I772-L776 PolarHBondContact O-N 3.34Å; Q774-L776 VanDerWaalsContact C-N 3.34Å; Q774-L776 PolarHBondContact O-N 2.7Å; L776-H784 WeakPolarHBondContact O-CB 3.37Å; L776-D786 HydrophobicContact CB-CB 4.42Å; L776-D786 HydrophobicContact CD2-CB 4.21Å; L776-V787 HydrophobicContact CB-CB 4.22Å; L776-V787 HydrophobicContact CB-CG2 4.43Å; L776-V790 HydrophobicContact CD1-CG2 3.63Å |
| 777 | K | 91.4 | Very high | 88.7 | Confident | 33 Ų | 33 | 55 Ų | 55 | 14% | 0.143 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -74.2 | -35.6 | 174.9 | 174.5 | -174.5 | 160.8 | -157.8 | 0 | 111.6 | I773 Q774 V783 H784 V787 T827 A828 | I773-K777 WeakPolarHBondContact O-CB 3.25Å; I773-K777 PolarHBondContact O-N 2.92Å; Q774-K777 PolarHBondContact O-N 3.41Å; K777-V783 HydrophobicContact CG-CG1 4.41Å; K777-H784 WeakPolarHBondContact O-CB 3.42Å; K777-H784 PolarHBondContact O-N 3.32Å; K777-V787 HydrophobicContact CB-CB 4.45Å; K777-V787 HydrophobicContact CB-CG2 4.35Å; K777-T827 PolarHBondContact NZ-OG1 3.14Å; K777-A828 HydrophobicContact CD-CB 4.34Å |
| 778 | G | 86.3 | Confident | 88.5 | Confident | 27 Ų | 27 | 56.4 Ų | 56.4 | 28% | 0.278 | 30% | 0.3 | S | S | . | . | trans | 76.7 | 168.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q774 Q780 | Q774-G778 PolarHBondContact O-N 3.29Å; G778-Q780 VanDerWaalsContact C-N 3.33Å; G778-Q780 PolarHBondContact O-N 3.21Å | ||
| 779 | D | 78.1 | Confident | 88.2 | Confident | 176 Ų | 176 | 60.8 Ų | 60.8 | 94% | 0.941 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -83.3 | -2.5 | -170.8 | -56.5 | -40.8 | 0 | 0 | 0 | 114.9 | ||
| 780 | Q | 76.3 | Confident | 88 | Confident | 155 Ų | 155 | 60.7 Ų | 60.7 | 72% | 0.724 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -87.9 | 155.1 | -178.9 | -63 | -168.1 | 0.8 | 0 | 0 | 111.6 | G778 N782 | G778-Q780 VanDerWaalsContact C-N 3.33Å; G778-Q780 PolarHBondContact O-N 3.21Å; Q780-N782 PolarHBondContact O-N 2.84Å |
| 781 | E | 67.4 | Low | 87.8 | Confident | 201 Ų | 201 | 63.5 Ų | 63.5 | 94% | 0.939 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -57.9 | -23.6 | 177.8 | -71.5 | -174.2 | 159.1 | 0 | 0 | 113.5 | ||
| 782 | N | 74.6 | Confident | 87.6 | Confident | 131 Ų | 131 | 67.8 Ų | 67.8 | 70% | 0.701 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -90.4 | 124.1 | 176.2 | -65.4 | -40 | 0 | 0 | 0 | 110.5 | Q780 H784 | Q780-N782 PolarHBondContact O-N 2.84Å; N782-H784 PolarHBondContact O-N 2.98Å |
| 783 | V | 80.6 | Confident | 87.4 | Confident | 59 Ų | 59 | 71.2 Ų | 71.2 | 36% | 0.358 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 119.2 | 175.3 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | K777 V787 | K777-V783 HydrophobicContact CG-CG1 4.41Å; V783-V787 HydrophobicContact CG1-CG1 3.34Å |
| 784 | H | 85 | Confident | 87.3 | Confident | 93 Ų | 93 | 71.4 Ų | 71.4 | 43% | 0.431 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 140.9 | 178.3 | -169.5 | -93.1 | 0 | 0 | 0 | 111.2 | L776 K777 N782 D786 V787 | L776-H784 WeakPolarHBondContact O-CB 3.37Å; K777-H784 WeakPolarHBondContact O-CB 3.42Å; K777-H784 PolarHBondContact O-N 3.32Å; N782-H784 PolarHBondContact O-N 2.98Å; H784-D786 VanDerWaalsContact CE1-CG 3.48Å; H784-D786 IonicContact CE1-OD2 3.86Å; H784-D786 PolarHBondContact CE1-OD2 2.93Å; H784-D786 PolarHBondContact ND1-N 3.22Å; H784-D786 IonicContact ND1-OD2 3.96Å; H784-D786 PolarHBondContact ND1-OD2 3.04Å; H784-D786 PolarHBondContact O-N 3.19Å; H784-D786 VanDerWaalsContact O-N 3.09Å; H784-V787 WeakPolarHBondContact O-CG1 3.31Å; H784-V787 PolarHBondContact O-N 3.06Å |
| 785 | P | 86.9 | Confident | 87.3 | Confident | 92 Ų | 92 | 74.5 Ų | 74.5 | 60% | 0.597 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -59.4 | -25.2 | -174.7 | -26.8 | 35.1 | 0 | 0 | 0 | 115.1 | V787 M788 | P785-V787 PolarHBondContact O-N 3.18Å; P785-M788 VanDerWaalsContact O-CB 3.22Å; P785-M788 WeakPolarHBondContact O-CB 3.38Å; P785-M788 WeakPolarHBondContact O-CG 3.3Å; P785-M788 PolarHBondContact O-N 3.08Å |
| 786 | D | 89.7 | Confident | 87.4 | Confident | 26 Ų | 26 | 76 Ų | 76 | 14% | 0.139 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -62.9 | -26.8 | -177.5 | -73.2 | -21 | 0 | 0 | 0 | 112.7 | K729 L776 H784 M788 L789 | K729-D786 HydrophobicContact CD-CB 4.41Å; K729-D786 VanDerWaalsContact CE-OD2 3.3Å; K729-D786 WeakPolarHBondContact CE-OD2 3.39Å; K729-D786 IonicContact NZ-OD1 3.88Å; K729-D786 PolarHBondContact NZ-OD1 3.32Å; K729-D786 IonicContact NZ-OD2 2.63Å; K729-D786 PolarHBondContact NZ-OD2 3.46Å; L776-D786 HydrophobicContact CB-CB 4.42Å; L776-D786 HydrophobicContact CD2-CB 4.21Å; H784-D786 VanDerWaalsContact CE1-CG 3.48Å; H784-D786 IonicContact CE1-OD2 3.86Å; H784-D786 PolarHBondContact CE1-OD2 2.93Å; H784-D786 PolarHBondContact ND1-N 3.22Å; H784-D786 IonicContact ND1-OD2 3.96Å; H784-D786 PolarHBondContact ND1-OD2 3.04Å; H784-D786 PolarHBondContact O-N 3.19Å; H784-D786 VanDerWaalsContact O-N 3.09Å; D786-M788 PolarHBondContact O-N 3.25Å; D786-M788 VanDerWaalsContact O-N 3.17Å; D786-L789 VanDerWaalsContact O-CB 3.27Å; D786-L789 WeakPolarHBondContact O-CB 3Å; D786-L789 VanDerWaalsContact O-CG 3.3Å; D786-L789 WeakPolarHBondContact O-CG 3.23Å; D786-L789 PolarHBondContact O-N 3.39Å |
| 787 | V | 90.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -63.9 | -21.8 | 175.5 | 82.6 | 0 | 0 | 0 | 0 | 112.4 | I773 L776 K777 V783 H784 P785 L789 V790 A828 F829 | I773-V787 HydrophobicContact CG2-CG2 4.25Å; L776-V787 HydrophobicContact CB-CB 4.22Å; L776-V787 HydrophobicContact CB-CG2 4.43Å; K777-V787 HydrophobicContact CB-CB 4.45Å; K777-V787 HydrophobicContact CB-CG2 4.35Å; V783-V787 HydrophobicContact CG1-CG1 3.34Å; H784-V787 WeakPolarHBondContact O-CG1 3.31Å; H784-V787 PolarHBondContact O-N 3.06Å; P785-V787 PolarHBondContact O-N 3.18Å; V787-L789 PolarHBondContact O-N 3.1Å; V787-V790 PolarHBondContact O-N 3.33Å; V787-A828 HydrophobicContact CG2-CB 4.16Å; V787-F829 HydrophobicContact CG1-CE1 4.42Å; V787-F829 HydrophobicContact CG2-CE1 4.38Å; V787-F829 HydrophobicContact CG2-CZ 3.91Å; V787-F829 WeakPolarHBondContact O-CE1 3.21Å; V787-F829 WeakPolarHBondContact O-CZ 3.36Å |
| 788 | M | 91 | Very high | 87.6 | Confident | 93 Ų | 93 | 74.3 Ų | 74.3 | 46% | 0.458 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -64.9 | -18.1 | 175.3 | -61 | -68.6 | 107.2 | 0 | 0 | 112.6 | P785 D786 V790 Q791 F829 | P785-M788 VanDerWaalsContact O-CB 3.22Å; P785-M788 WeakPolarHBondContact O-CB 3.38Å; P785-M788 WeakPolarHBondContact O-CG 3.3Å; P785-M788 PolarHBondContact O-N 3.08Å; D786-M788 PolarHBondContact O-N 3.25Å; D786-M788 VanDerWaalsContact O-N 3.17Å; M788-V790 PolarHBondContact O-N 3.02Å; M788-Q791 VanDerWaalsContact O-CB 3.26Å; M788-Q791 WeakPolarHBondContact O-CB 3.49Å; M788-Q791 PolarHBondContact O-N 2.93Å; M788-F829 HydrophobicContact CE-CD1 3.77Å; M788-F829 HydrophobicContact CE-CE1 3.87Å |
| 789 | L | 92.3 | Very high | 88 | Confident | 91 Ų | 91 | 75.1 Ų | 75.1 | 48% | 0.476 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -64.9 | -27.7 | 172.7 | -62.1 | 173.4 | 0 | 0 | 0 | 112.1 | K729 L732 D786 V787 P792 | K729-L789 HydrophobicContact CD-CD1 3.68Å; K729-L789 HydrophobicContact CG-CD1 3.73Å; L732-L789 HydrophobicContact CD2-CB 3.74Å; L732-L789 HydrophobicContact CD2-CD1 4.11Å; D786-L789 VanDerWaalsContact O-CB 3.27Å; D786-L789 WeakPolarHBondContact O-CB 3Å; D786-L789 VanDerWaalsContact O-CG 3.3Å; D786-L789 WeakPolarHBondContact O-CG 3.23Å; D786-L789 PolarHBondContact O-N 3.39Å; V787-L789 PolarHBondContact O-N 3.1Å; L789-P792 WeakPolarHBondContact O-CD 3.5Å |
| 790 | V | 93.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -13.9 | 178.4 | -174.1 | 0 | 0 | 0 | 0 | 111.9 | L732 I772 I773 L776 V787 M788 P792 R793 V794 I797 F829 | L732-V790 HydrophobicContact CD1-CG2 4.17Å; L732-V790 HydrophobicContact CD2-CG2 4.37Å; I772-V790 HydrophobicContact CG2-CG2 4.05Å; I773-V790 HydrophobicContact CG1-CG1 4.39Å; L776-V790 HydrophobicContact CD1-CG2 3.63Å; V787-V790 PolarHBondContact O-N 3.33Å; M788-V790 PolarHBondContact O-N 3.02Å; V790-P792 VanDerWaalsContact C-N 3.3Å; V790-P792 VanDerWaalsContact O-N 3.13Å; V790-R793 HydrophobicContact CG1-CB 4.47Å; V790-R793 WeakPolarHBondContact O-CB 3.48Å; V790-R793 PolarHBondContact O-N 3.28Å; V790-V794 PolarHBondContact O-N 3.07Å; V790-I797 HydrophobicContact CG1-CD1 4.46Å; V790-F829 HydrophobicContact CB-CZ 4.35Å |
| 791 | Q | 91.8 | Very high | 89.8 | Confident | 95 Ų | 95 | 59.7 Ų | 59.7 | 44% | 0.444 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -48.7 | -43 | -179.2 | -168.9 | -76 | -36 | 0 | 0 | 113.7 | M788 R793 V794 F829 | M788-Q791 VanDerWaalsContact O-CB 3.26Å; M788-Q791 WeakPolarHBondContact O-CB 3.49Å; M788-Q791 PolarHBondContact O-N 2.93Å; Q791-R793 PolarHBondContact O-N 3.08Å; Q791-R793 VanDerWaalsContact O-N 3.17Å; Q791-V794 WeakPolarHBondContact O-CB 3.07Å; Q791-V794 WeakPolarHBondContact O-CG2 3.32Å; Q791-V794 PolarHBondContact O-N 2.93Å; Q791-F829 HydrophobicContact CB-CD1 4.18Å; Q791-F829 HydrophobicContact CB-CE1 3.71Å; Q791-F829 HydrophobicContact CG-CD1 4.08Å; Q791-F829 HydrophobicContact CG-CE1 4.13Å |
| 792 | P | 92.3 | Very high | 91.1 | Very high | 92 Ų | 92 | 52 Ų | 52 | 60% | 0.597 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -64.7 | -19.7 | 179.5 | -22.3 | 35.1 | 0 | 0 | 0 | 114.3 | L789 V790 | L789-P792 WeakPolarHBondContact O-CD 3.5Å; V790-P792 VanDerWaalsContact C-N 3.3Å; V790-P792 VanDerWaalsContact O-N 3.13Å |
| 793 | R | 92.8 | Very high | 91.9 | Very high | 73 Ų | 73 | 49 Ų | 49 | 28% | 0.275 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -93 | -11.3 | -178.8 | -57.9 | -59.6 | -172.4 | 150.6 | 7.5 | 113.4 | L736 D737 V790 Q791 E795 F796 I797 | L736-R793 HydrophobicContact CD1-CG 4.16Å; D737-R793 IonicContact OD1-CZ 3.09Å; D737-R793 IonicContact OD1-NH1 2.84Å; D737-R793 IonicContact OD1-NH2 3.18Å; D737-R793 PolarHBondContact OD1-NH2 3.29Å; V790-R793 HydrophobicContact CG1-CB 4.47Å; V790-R793 WeakPolarHBondContact O-CB 3.48Å; V790-R793 PolarHBondContact O-N 3.28Å; Q791-R793 PolarHBondContact O-N 3.08Å; Q791-R793 VanDerWaalsContact O-N 3.17Å; R793-E795 PolarHBondContact O-N 3.05Å; R793-F796 WeakPolarHBondContact O-CB 3.37Å; R793-F796 PolarHBondContact O-N 2.9Å; R793-I797 WeakPolarHBondContact O-CG1 3.22Å; R793-I797 PolarHBondContact O-N 3.17Å |
| 794 | V | 93.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55 | -39.8 | -178.2 | 171.4 | 0 | 0 | 0 | 0 | 112.4 | V790 Q791 F796 I797 L798 L825 F829 M833 L836 | V790-V794 PolarHBondContact O-N 3.07Å; Q791-V794 WeakPolarHBondContact O-CB 3.07Å; Q791-V794 WeakPolarHBondContact O-CG2 3.32Å; Q791-V794 PolarHBondContact O-N 2.93Å; V794-F796 VanDerWaalsContact C-N 3.32Å; V794-F796 PolarHBondContact O-N 2.84Å; V794-I797 PolarHBondContact O-N 2.89Å; V794-L798 HydrophobicContact CG1-CD1 4.36Å; V794-L798 WeakPolarHBondContact O-CG 3.43Å; V794-L798 PolarHBondContact O-N 2.85Å; V794-L825 HydrophobicContact CG1-CD2 4.42Å; V794-L825 HydrophobicContact CG2-CD2 4.15Å; V794-F829 HydrophobicContact CG2-CD1 4.47Å; V794-F829 HydrophobicContact CG2-CD2 3.72Å; V794-F829 HydrophobicContact CG2-CE1 4.28Å; V794-F829 HydrophobicContact CG2-CE2 3.49Å; V794-F829 VanDerWaalsContact CG2-CE2 3.49Å; V794-F829 HydrophobicContact CG2-CG 4.21Å; V794-F829 HydrophobicContact CG2-CZ 3.78Å; V794-M833 HydrophobicContact CG1-CE 3.87Å; V794-M833 HydrophobicContact CG1-SD 3.41Å; V794-M833 WeakPolarHBondContact CG1-SD 3.48Å; V794-L836 HydrophobicContact CG1-CD1 4.01Å |
| 795 | E | 92.8 | Very high | 92.9 | Very high | 112 Ų | 112 | 42.6 Ų | 42.6 | 52% | 0.523 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.4 | -39.3 | 178.7 | -176.5 | 166.4 | -160.8 | 0 | 0 | 112.2 | R793 S799 R840 | R793-E795 PolarHBondContact O-N 3.05Å; E795-S799 PolarHBondContact O-N 3.11Å; E795-S799 PolarHBondContact O-OG 3.45Å; E795-S799 VanDerWaalsContact O-OG 3.06Å; E795-R840 IonicContact OE1-NH2 3.06Å |
| 796 | F | 95.2 | Very high | 93.1 | Very high | 41 Ų | 41 | 43.4 Ų | 43.4 | 18% | 0.18 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67 | -46.6 | 175.6 | 174.1 | -105.7 | 0 | 0 | 0 | 111.6 | Q740 S743 Q744 R793 V794 L798 S799 F800 | Q740-F796 HydrophobicContact CB-CE1 4.46Å; Q740-F796 VanDerWaalsContact CD-CE1 3.47Å; Q740-F796 HydrophobicContact CG-CE1 4.45Å; S743-F796 WeakPolarHBondContact OG-CE1 3.28Å; S743-F796 WeakPolarHBondContact OG-CZ 3.31Å; Q744-F796 HydrophobicContact CG-CE2 4.46Å; Q744-F796 HydrophobicContact CG-CZ 4.32Å; R793-F796 WeakPolarHBondContact O-CB 3.37Å; R793-F796 PolarHBondContact O-N 2.9Å; V794-F796 VanDerWaalsContact C-N 3.32Å; V794-F796 PolarHBondContact O-N 2.84Å; F796-L798 VanDerWaalsContact C-N 3.27Å; F796-L798 PolarHBondContact O-N 2.99Å; F796-S799 CarbonylContact O-C 3.57Å; F796-S799 WeakPolarHBondContact O-CA 3.32Å; F796-S799 WeakPolarHBondContact O-CB 3.49Å; F796-S799 PolarHBondContact O-N 2.87Å; F796-F800 HydrophobicContact CZ-CB 4.37Å; F796-F800 PolarHBondContact O-N 2.57Å |
| 797 | I | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.6 | -43.4 | 179.6 | -63.7 | 169.1 | 0 | 0 | 0 | 110.8 | Y769 V790 R793 V794 F800 I801 L821 L825 | Y769-I797 HydrophobicContact CD1-CD1 3.59Å; Y769-I797 HydrophobicContact CD1-CG1 3.94Å; Y769-I797 HydrophobicContact CD2-CG1 4.3Å; Y769-I797 HydrophobicContact CE1-CD1 3.84Å; Y769-I797 HydrophobicContact CE1-CG1 3.82Å; Y769-I797 HydrophobicContact CE2-CG1 4.2Å; Y769-I797 HydrophobicContact CG-CD1 4.04Å; Y769-I797 HydrophobicContact CG-CG1 4.2Å; V790-I797 HydrophobicContact CG1-CD1 4.46Å; R793-I797 WeakPolarHBondContact O-CG1 3.22Å; R793-I797 PolarHBondContact O-N 3.17Å; V794-I797 PolarHBondContact O-N 2.89Å; I797-F800 WeakPolarHBondContact O-CB 3.35Å; I797-F800 PolarHBondContact O-N 3.11Å; I797-I801 HydrophobicContact CG2-CD1 4.13Å; I797-I801 WeakPolarHBondContact O-CG1 3.14Å; I797-I801 PolarHBondContact O-N 2.71Å; I797-L821 HydrophobicContact CG2-CD2 3.61Å; I797-L821 HydrophobicContact CG2-CG 4.16Å; I797-L825 HydrophobicContact CG2-CD1 4.04Å |
| 798 | L | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.3 | -36 | 175.9 | -70.6 | 177 | 0 | 0 | 0 | 113.3 | V794 F796 F800 H802 L825 M833 L836 V837 I843 | V794-L798 HydrophobicContact CG1-CD1 4.36Å; V794-L798 WeakPolarHBondContact O-CG 3.43Å; V794-L798 PolarHBondContact O-N 2.85Å; F796-L798 VanDerWaalsContact C-N 3.27Å; F796-L798 PolarHBondContact O-N 2.99Å; L798-F800 VanDerWaalsContact C-N 3.31Å; L798-H802 VanDerWaalsContact O-CB 3.27Å; L798-H802 WeakPolarHBondContact O-CB 3.46Å; L798-H802 PolarHBondContact O-N 3.22Å; L798-L825 HydrophobicContact CD2-CD1 4.09Å; L798-M833 HydrophobicContact CD1-CE 3.59Å; L798-M833 HydrophobicContact CD2-CE 3.87Å; L798-M833 HydrophobicContact CG-CE 4Å; L798-L836 HydrophobicContact CD1-CB 3.32Å; L798-L836 HydrophobicContact CD1-CD1 4.07Å; L798-L836 HydrophobicContact CD1-CG 4.32Å; L798-V837 HydrophobicContact CD1-CG2 4.33Å; L798-V837 HydrophobicContact CD2-CG2 3.99Å; L798-I843 HydrophobicContact CD2-CD1 4.19Å |
| 799 | S | 94.2 | Very high | 92.3 | Very high | 45 Ų | 45 | 50 Ų | 50 | 32% | 0.315 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.1 | -35.5 | 173.3 | -65.2 | 0 | 0 | 0 | 0 | 111.8 | E795 F796 H802 H803 R840 | E795-S799 PolarHBondContact O-N 3.11Å; E795-S799 PolarHBondContact O-OG 3.45Å; E795-S799 VanDerWaalsContact O-OG 3.06Å; F796-S799 CarbonylContact O-C 3.57Å; F796-S799 WeakPolarHBondContact O-CA 3.32Å; F796-S799 WeakPolarHBondContact O-CB 3.49Å; F796-S799 PolarHBondContact O-N 2.87Å; S799-H802 WeakPolarHBondContact O-CB 3.48Å; S799-H802 PolarHBondContact O-N 3.32Å; S799-H803 WeakPolarHBondContact O-CB 3.47Å; S799-H803 PolarHBondContact O-N 3.37Å; S799-R840 PolarHBondContact OG-NE 3.09Å; S799-R840 PolarHBondContact OG-NH2 3.39Å |
| 800 | F | 95.6 | Very high | 92 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.2 | -49.5 | 173.4 | 170.7 | -127.8 | 0 | 0 | 0 | 111.4 | S743 R762 C765 L766 F796 I797 L798 H802 H803 I804 | S743-F800 WeakPolarHBondContact O-CD2 3.14Å; S743-F800 WeakPolarHBondContact O-CE2 3.39Å; R762-F800 HydrophobicContact CB-CZ 4.19Å; R762-F800 HydrophobicContact CG-CE2 4.09Å; R762-F800 HydrophobicContact CG-CZ 3.95Å; C765-F800 HydrophobicContact CB-CE1 4.02Å; C765-F800 HydrophobicContact CB-CZ 4.17Å; L766-F800 HydrophobicContact CD2-CD1 4.16Å; L766-F800 HydrophobicContact CD2-CE1 3.77Å; L766-F800 HydrophobicContact CG-CE1 4.01Å; F796-F800 HydrophobicContact CZ-CB 4.37Å; F796-F800 PolarHBondContact O-N 2.57Å; I797-F800 WeakPolarHBondContact O-CB 3.35Å; I797-F800 PolarHBondContact O-N 3.11Å; L798-F800 VanDerWaalsContact C-N 3.31Å; F800-H802 PolarHBondContact O-N 2.88Å; F800-H803 WeakPolarHBondContact O-CB 3.41Å; F800-H803 PolarHBondContact O-N 2.91Å; F800-H803 VanDerWaalsContact O-N 3.11Å; F800-I804 HydrophobicContact CD1-CD1 4.36Å; F800-I804 HydrophobicContact CD2-CD1 4.28Å; F800-I804 HydrophobicContact CD2-CG1 4.36Å; F800-I804 HydrophobicContact CE1-CD1 3.9Å; F800-I804 HydrophobicContact CE2-CD1 3.81Å; F800-I804 HydrophobicContact CE2-CG1 4.04Å; F800-I804 HydrophobicContact CZ-CD1 3.62Å; F800-I804 HydrophobicContact CZ-CG1 4.35Å; F800-I804 WeakPolarHBondContact O-CG1 3.32Å; F800-I804 PolarHBondContact O-N 2.91Å |
| 801 | I | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.3 | -36.1 | 175.2 | -64 | 163 | 0 | 0 | 0 | 111.5 | L766 I797 I804 A805 A818 L821 I822 I843 L846 | L766-I801 HydrophobicContact CD2-CG1 3.99Å; I797-I801 HydrophobicContact CG2-CD1 4.13Å; I797-I801 WeakPolarHBondContact O-CG1 3.14Å; I797-I801 PolarHBondContact O-N 2.71Å; I801-I804 PolarHBondContact O-N 3.18Å; I801-A805 PolarHBondContact O-N 3.1Å; I801-A818 HydrophobicContact CG1-CB 4.43Å; I801-A818 HydrophobicContact CG2-CB 4.08Å; I801-L821 HydrophobicContact CD1-CD2 4.11Å; I801-L821 HydrophobicContact CD1-CG 4.29Å; I801-I822 HydrophobicContact CD1-CG1 4.01Å; I801-I822 HydrophobicContact CG2-CD1 4.13Å; I801-I843 HydrophobicContact CG2-CG1 4.37Å; I801-L846 HydrophobicContact CG2-CD2 3.92Å |
| 802 | H | 94.2 | Very high | 91.8 | Very high | 39 Ų | 39 | 47.3 Ų | 47.3 | 18% | 0.181 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -42 | 175.1 | -179.3 | 50.1 | 0 | 0 | 0 | 112.2 | L798 S799 F800 A805 E806 R840 I843 | L798-H802 VanDerWaalsContact O-CB 3.27Å; L798-H802 WeakPolarHBondContact O-CB 3.46Å; L798-H802 PolarHBondContact O-N 3.22Å; S799-H802 WeakPolarHBondContact O-CB 3.48Å; S799-H802 PolarHBondContact O-N 3.32Å; F800-H802 PolarHBondContact O-N 2.88Å; H802-A805 CarbonylContact O-C 3.54Å; H802-A805 PolarHBondContact O-N 3.32Å; H802-E806 IonicContact NE2-OE1 3.36Å; H802-E806 PolarHBondContact O-N 2.95Å; H802-R840 HydrophobicContact CB-CB 4.33Å; H802-R840 HydrophobicContact CB-CG 4.28Å; H802-I843 HydrophobicContact CB-CD1 4.46Å; H802-I843 HydrophobicContact CB-CG1 4.33Å |
| 803 | H | 92.6 | Very high | 91.9 | Very high | 68 Ų | 68 | 44.1 Ų | 44.1 | 32% | 0.315 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.4 | -37.1 | 176.3 | -175.4 | 54.9 | 0 | 0 | 0 | 112.3 | S799 F800 A805 E806 D807 | S799-H803 WeakPolarHBondContact O-CB 3.47Å; S799-H803 PolarHBondContact O-N 3.37Å; F800-H803 WeakPolarHBondContact O-CB 3.41Å; F800-H803 PolarHBondContact O-N 2.91Å; F800-H803 VanDerWaalsContact O-N 3.11Å; H803-A805 VanDerWaalsContact C-N 3.3Å; H803-A805 PolarHBondContact O-N 2.95Å; H803-E806 IonicContact ND1-OE2 2.97Å; H803-E806 PolarHBondContact ND1-OE2 3.13Å; H803-E806 WeakPolarHBondContact O-CB 3.34Å; H803-E806 PolarHBondContact O-N 3.32Å; H803-E806 VanDerWaalsContact O-N 3.17Å; H803-D807 PolarHBondContact O-N 3.31Å |
| 804 | I | 94.2 | Very high | 92 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.5 | -46.5 | 169.8 | -69.7 | 173.4 | 0 | 0 | 0 | 109.9 | R762 L766 F800 I801 E806 D807 H810 V814 | R762-I804 HydrophobicContact CB-CD1 4.3Å; R762-I804 HydrophobicContact CG-CD1 4.31Å; R762-I804 HydrophobicContact CG-CG1 4.42Å; L766-I804 HydrophobicContact CD1-CD1 4.04Å; L766-I804 HydrophobicContact CD2-CD1 4.43Å; F800-I804 HydrophobicContact CD1-CD1 4.36Å; F800-I804 HydrophobicContact CD2-CD1 4.28Å; F800-I804 HydrophobicContact CD2-CG1 4.36Å; F800-I804 HydrophobicContact CE1-CD1 3.9Å; F800-I804 HydrophobicContact CE2-CD1 3.81Å; F800-I804 HydrophobicContact CE2-CG1 4.04Å; F800-I804 HydrophobicContact CZ-CD1 3.62Å; F800-I804 HydrophobicContact CZ-CG1 4.35Å; F800-I804 WeakPolarHBondContact O-CG1 3.32Å; F800-I804 PolarHBondContact O-N 2.91Å; I801-I804 PolarHBondContact O-N 3.18Å; I804-E806 PolarHBondContact O-N 3.5Å; I804-D807 WeakPolarHBondContact O-CB 3.45Å; I804-D807 PolarHBondContact O-N 3.06Å; I804-H810 HydrophobicContact CG2-CB 4.35Å; I804-H810 PolarHBondContact O-ND1 2.69Å; I804-V814 HydrophobicContact CD1-CG1 4.04Å; I804-V814 HydrophobicContact CG2-CG1 3.37Å |
| 805 | A | 93.1 | Very high | 92.1 | Very high | 18 Ų | 18 | 40.6 Ų | 40.6 | 15% | 0.149 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -12.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | I801 H802 H803 L842 L846 | I801-A805 PolarHBondContact O-N 3.1Å; H802-A805 CarbonylContact O-C 3.54Å; H802-A805 PolarHBondContact O-N 3.32Å; H803-A805 VanDerWaalsContact C-N 3.3Å; H803-A805 PolarHBondContact O-N 2.95Å; A805-L842 HydrophobicContact CB-CB 3.88Å; A805-L846 HydrophobicContact CB-CB 3.94Å; A805-L846 HydrophobicContact CB-CD1 4.27Å; A805-L846 HydrophobicContact CB-CD2 4.28Å; A805-L846 HydrophobicContact CB-CG 4.4Å |
| 806 | E | 90.8 | Very high | 92.3 | Very high | 109 Ų | 109 | 35.3 Ų | 35.3 | 51% | 0.509 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -21.9 | 169.4 | -72.2 | 175.7 | 157.5 | 0 | 0 | 112 | H802 H803 I804 L842 | H802-E806 IonicContact NE2-OE1 3.36Å; H802-E806 PolarHBondContact O-N 2.95Å; H803-E806 IonicContact ND1-OE2 2.97Å; H803-E806 PolarHBondContact ND1-OE2 3.13Å; H803-E806 WeakPolarHBondContact O-CB 3.34Å; H803-E806 PolarHBondContact O-N 3.32Å; H803-E806 VanDerWaalsContact O-N 3.17Å; I804-E806 PolarHBondContact O-N 3.5Å; E806-L842 HydrophobicContact CB-CD1 4.27Å; E806-L842 HydrophobicContact CG-CD1 3.31Å |
| 807 | D | 88.3 | Confident | 92.4 | Very high | 11 Ų | 11 | 34.2 Ų | 34.2 | 6% | 0.059 | 18% | 0.184 | C | C | . | . | trans | -75.5 | 139.1 | 175.2 | -147.1 | -25.5 | 0 | 0 | 0 | 109.2 | K749 R762 H803 I804 D809 H810 | K749-D807 VanDerWaalsContact NZ-CG 3.35Å; K749-D807 IonicContact NZ-OD1 2.9Å; K749-D807 PolarHBondContact NZ-OD1 3.21Å; K749-D807 IonicContact NZ-OD2 3.89Å; R762-D807 IonicContact CZ-OD2 3.44Å; R762-D807 VanDerWaalsContact CZ-OD2 3.29Å; R762-D807 IonicContact NH1-OD2 3.85Å; R762-D807 PolarHBondContact NH1-OD2 3.07Å; R762-D807 IonicContact NH2-OD2 3.74Å; R762-D807 PolarHBondContact NH2-OD2 3.47Å; H803-D807 PolarHBondContact O-N 3.31Å; I804-D807 WeakPolarHBondContact O-CB 3.45Å; I804-D807 PolarHBondContact O-N 3.06Å; D807-D809 PolarHBondContact OD1-N 2.93Å; D807-H810 PolarHBondContact O-CE1 3.37Å; D807-H810 PolarHBondContact O-ND1 3.16Å | ||
| 808 | E | 83.6 | Confident | 92.4 | Very high | 178 Ų | 178 | 34.2 Ų | 34.2 | 83% | 0.832 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -88.7 | -20.4 | 172.7 | -65.8 | -171.3 | 167.8 | 0 | 0 | 110.6 | H810 | E808-H810 PolarHBondContact O-N 2.94Š|
| 809 | D | 82.5 | Confident | 92.5 | Very high | 69 Ų | 69 | 34.3 Ų | 34.3 | 37% | 0.369 | 19% | 0.185 | S | C | . | . | trans | -97.4 | 55.1 | -172.8 | -51.8 | -59.9 | 0 | 0 | 0 | 111.8 | K749 V755 N759 D807 | K749-D809 IonicContact NZ-OD2 3.28Å; V755-D809 HydrophobicContact CG1-CB 3.78Å; N759-D809 PolarHBondContact ND2-O 3.15Å; N759-D809 PolarHBondContact OD1-O 3.38Å; D807-D809 PolarHBondContact OD1-N 2.93Å | ||
| 810 | H | 85.3 | Confident | 92.6 | Very high | 32 Ų | 32 | 32.6 Ų | 32.6 | 15% | 0.148 | 17% | 0.174 | C | C | . | . | trans | -109.7 | 142.7 | 176.2 | 52.8 | -118.1 | 0 | 0 | 0 | 113.4 | I804 D807 E808 V814 E849 | I804-H810 HydrophobicContact CG2-CB 4.35Å; I804-H810 PolarHBondContact O-ND1 2.69Å; D807-H810 PolarHBondContact O-CE1 3.37Å; D807-H810 PolarHBondContact O-ND1 3.16Å; E808-H810 PolarHBondContact O-N 2.94Å; H810-V814 HydrophobicContact CB-CB 4.5Å; H810-V814 HydrophobicContact CB-CG1 4.34Å; H810-E849 IonicContact CD2-OE1 2.78Å; H810-E849 PolarHBondContact CD2-OE1 2.62Å; H810-E849 IonicContact CE1-OE2 3.58Å; H810-E849 VanDerWaalsContact NE2-CD 3.34Å; H810-E849 IonicContact NE2-OE1 3.71Å; H810-E849 PolarHBondContact NE2-OE1 3.22Å; H810-E849 IonicContact NE2-OE2 3.84Å; H810-E849 PolarHBondContact NE2-OE2 3.39Å; H810-E849 VanDerWaalsContact NE2-OE2 3.09Å | ||
| 811 | S | 90.8 | Very high | 92.6 | Very high | 37 Ų | 37 | 32.2 Ų | 32.2 | 26% | 0.259 | 17% | 0.172 | S | C | . | . | trans | -77.6 | 156.2 | 177.5 | 76.6 | 0 | 0 | 0 | 0 | 112.1 | E763 G813 V814 V815 | E763-S811 PolarHBondContact OE1-OG 2.98Å; S811-G813 PolarHBondContact O-N 3.46Å; S811-G813 PolarHBondContact OG-N 3.5Å; S811-V814 WeakPolarHBondContact O-CB 3.46Å; S811-V814 PolarHBondContact O-N 3.12Å; S811-V814 VanDerWaalsContact O-N 3.16Å; S811-V814 WeakPolarHBondContact OG-CG2 3.45Å; S811-V814 PolarHBondContact OG-N 2.94Å; S811-V815 WeakPolarHBondContact O-CG2 3.49Å; S811-V815 PolarHBondContact O-N 3.09Å | ||
| 812 | D | 90.8 | Very high | 92.6 | Very high | 59 Ų | 59 | 32.2 Ų | 32.2 | 32% | 0.316 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -56.6 | -29.9 | 168.7 | -103.1 | -58.2 | 0 | 0 | 0 | 112.6 | V815 A816 S853 I855 T858 | D812-V815 PolarHBondContact O-N 3.25Å; D812-A816 VanDerWaalsContact O-CB 3.3Å; D812-A816 WeakPolarHBondContact O-CB 3.48Å; D812-A816 PolarHBondContact O-N 3.34Å; D812-S853 VanDerWaalsContact CG-OG 3.27Å; D812-S853 WeakPolarHBondContact OD1-CB 3.43Å; D812-S853 PolarHBondContact OD1-OG 3.13Å; D812-S853 PolarHBondContact OD2-OG 3.23Å; D812-I855 HydrophobicContact CB-CD1 3.58Å; D812-I855 HydrophobicContact CB-CG1 4.29Å; D812-T858 PolarHBondContact O-OG1 2.95Å; D812-T858 WeakPolarHBondContact OD1-CG2 3.32Å |
| 813 | G | 93.7 | Very high | 92.6 | Very high | 25 Ų | 25 | 30.4 Ų | 30.4 | 26% | 0.258 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -66.1 | -45.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E763 S811 V815 A816 N817 | E763-G813 VanDerWaalsContact OE1-C 3.3Å; E763-G813 VanDerWaalsContact OE1-CA 3.29Å; E763-G813 WeakPolarHBondContact OE1-CA 3.19Å; S811-G813 PolarHBondContact O-N 3.46Å; S811-G813 PolarHBondContact OG-N 3.5Å; G813-V815 PolarHBondContact O-N 3.13Å; G813-A816 WeakPolarHBondContact O-CB 3.43Å; G813-A816 PolarHBondContact O-N 3.32Å; G813-N817 WeakPolarHBondContact O-CB 3.23Å; G813-N817 PolarHBondContact O-N 2.91Å |
| 814 | V | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.3 | -47.2 | 171.7 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | N759 R762 E763 L766 I804 H810 S811 A816 N817 A818 | N759-V814 HydrophobicContact CB-CG2 4.05Å; R762-V814 HydrophobicContact CB-CG2 4.21Å; E763-V814 HydrophobicContact CG-CB 4.31Å; E763-V814 HydrophobicContact CG-CG2 3.53Å; E763-V814 PolarHBondContact OE1-N 3.34Å; E763-V814 VanDerWaalsContact OE1-N 3.1Å; L766-V814 HydrophobicContact CD1-CG1 4.14Å; I804-V814 HydrophobicContact CD1-CG1 4.04Å; I804-V814 HydrophobicContact CG2-CG1 3.37Å; H810-V814 HydrophobicContact CB-CB 4.5Å; H810-V814 HydrophobicContact CB-CG1 4.34Å; S811-V814 WeakPolarHBondContact O-CB 3.46Å; S811-V814 PolarHBondContact O-N 3.12Å; S811-V814 VanDerWaalsContact O-N 3.16Å; S811-V814 WeakPolarHBondContact OG-CG2 3.45Å; S811-V814 PolarHBondContact OG-N 2.94Å; V814-A816 VanDerWaalsContact C-N 3.33Å; V814-A816 PolarHBondContact O-N 3.24Å; V814-N817 PolarHBondContact O-N 3.39Å; V814-A818 WeakPolarHBondContact O-CB 3.44Å; V814-A818 PolarHBondContact O-N 3.33Å |
| 815 | V | 95.7 | Very high | 92.7 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.7 | -43.9 | 178 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | S811 D812 G813 A819 L846 T858 | S811-V815 WeakPolarHBondContact O-CG2 3.49Å; S811-V815 PolarHBondContact O-N 3.09Å; D812-V815 PolarHBondContact O-N 3.25Å; G813-V815 PolarHBondContact O-N 3.13Å; V815-A819 VanDerWaalsContact O-CB 3.28Å; V815-A819 WeakPolarHBondContact O-CB 3.49Å; V815-A819 PolarHBondContact O-N 2.75Å; V815-L846 HydrophobicContact CG1-CD1 4.34Å; V815-L846 HydrophobicContact CG1-CG 4.38Å; V815-L846 HydrophobicContact CG2-CD1 3.86Å; V815-T858 HydrophobicContact CB-CG2 3.97Å; V815-T858 HydrophobicContact CG1-CG2 3.72Å |
| 816 | A | 96.2 | Very high | 92.6 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 2% | 0.017 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63 | -49.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | D812 G813 V814 A819 G820 T858 L861 | D812-A816 VanDerWaalsContact O-CB 3.3Å; D812-A816 WeakPolarHBondContact O-CB 3.48Å; D812-A816 PolarHBondContact O-N 3.34Å; G813-A816 WeakPolarHBondContact O-CB 3.43Å; G813-A816 PolarHBondContact O-N 3.32Å; V814-A816 VanDerWaalsContact C-N 3.33Å; V814-A816 PolarHBondContact O-N 3.24Å; A816-A819 PolarHBondContact O-N 3.5Å; A816-G820 PolarHBondContact O-N 2.93Å; A816-T858 HydrophobicContact CB-CG2 4.12Å; A816-L861 HydrophobicContact CB-CD1 4.17Å; A816-L861 WeakPolarHBondContact O-CD1 3.32Å |
| 817 | N | 96.5 | Very high | 92.6 | Very high | 18 Ų | 18 | 24 Ų | 24 | 10% | 0.096 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.4 | -38 | -178.9 | -76 | -22.4 | 0 | 0 | 0 | 111.6 | L766 E767 G813 V814 G820 L821 | L766-N817 HydrophobicContact CB-CB 3.88Å; L766-N817 HydrophobicContact CD1-CB 4.06Å; E767-N817 PolarHBondContact OE1-ND2 2.83Å; E767-N817 VanDerWaalsContact OE1-ND2 3.12Å; G813-N817 WeakPolarHBondContact O-CB 3.23Å; G813-N817 PolarHBondContact O-N 2.91Å; V814-N817 PolarHBondContact O-N 3.39Å; N817-G820 PolarHBondContact O-N 3.34Å; N817-L821 WeakPolarHBondContact O-CB 3.23Å; N817-L821 PolarHBondContact O-N 2.92Å |
| 818 | A | 97.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.2 | -43.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L766 I801 V814 L821 I822 L846 | L766-A818 HydrophobicContact CD1-CB 4.05Å; L766-A818 HydrophobicContact CD2-CB 4.39Å; I801-A818 HydrophobicContact CG1-CB 4.43Å; I801-A818 HydrophobicContact CG2-CB 4.08Å; V814-A818 WeakPolarHBondContact O-CB 3.44Å; V814-A818 PolarHBondContact O-N 3.33Å; A818-L821 PolarHBondContact O-N 2.94Å; A818-I822 WeakPolarHBondContact O-CD1 3.43Å; A818-I822 VanDerWaalsContact O-CG1 3.26Å; A818-I822 WeakPolarHBondContact O-CG1 3.47Å; A818-I822 PolarHBondContact O-N 3.19Å; A818-L846 HydrophobicContact CB-CD2 3.94Å |
| 819 | A | 96.3 | Very high | 93 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 2% | 0.017 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.7 | -46.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | V815 A816 L821 I822 G823 L847 L861 A862 A865 | V815-A819 VanDerWaalsContact O-CB 3.28Å; V815-A819 WeakPolarHBondContact O-CB 3.49Å; V815-A819 PolarHBondContact O-N 2.75Å; A816-A819 PolarHBondContact O-N 3.5Å; A819-L821 PolarHBondContact O-N 3.05Å; A819-I822 PolarHBondContact O-N 3.35Å; A819-G823 PolarHBondContact O-N 3.02Å; A819-G823 VanDerWaalsContact O-N 3.1Å; A819-L847 HydrophobicContact CB-CD2 3.76Å; A819-L861 HydrophobicContact CB-CB 4.27Å; A819-A862 HydrophobicContact CB-CB 4.21Å; A819-A865 HydrophobicContact CB-CB 4.38Å; A819-A865 WeakPolarHBondContact O-CB 3.42Å |
| 820 | G | 96.1 | Very high | 93.2 | Very high | 8 Ų | 8 | 14.2 Ų | 14.2 | 8% | 0.082 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -54.4 | -50.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A816 N817 I822 G823 D824 W864 | A816-G820 PolarHBondContact O-N 2.93Å; N817-G820 PolarHBondContact O-N 3.34Å; G820-I822 VanDerWaalsContact C-N 3.35Å; G820-I822 PolarHBondContact O-N 3.32Å; G820-G823 PolarHBondContact O-N 3.09Å; G820-G823 VanDerWaalsContact O-N 3.14Å; G820-D824 PolarHBondContact O-N 2.72Å; G820-W864 WeakPolarHBondContact O-CZ3 3.35Å |
| 821 | L | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.8 | -39.9 | 179.1 | -177.3 | 53.6 | 0 | 0 | 0 | 112.9 | L766 Y769 I773 I797 I801 N817 A818 A819 G823 D824 L825 | L766-L821 HydrophobicContact CD2-CD2 3.64Å; Y769-L821 HydrophobicContact CD2-CD2 4.34Å; Y769-L821 HydrophobicContact CG-CD2 4.43Å; I773-L821 HydrophobicContact CD1-CD1 3.52Å; I797-L821 HydrophobicContact CG2-CD2 3.61Å; I797-L821 HydrophobicContact CG2-CG 4.16Å; I801-L821 HydrophobicContact CD1-CD2 4.11Å; I801-L821 HydrophobicContact CD1-CG 4.29Å; N817-L821 WeakPolarHBondContact O-CB 3.23Å; N817-L821 PolarHBondContact O-N 2.92Å; A818-L821 PolarHBondContact O-N 2.94Å; A819-L821 PolarHBondContact O-N 3.05Å; L821-G823 PolarHBondContact O-N 3.21Å; L821-D824 PolarHBondContact O-N 3.05Å; L821-L825 HydrophobicContact CD1-CG 4.29Å; L821-L825 HydrophobicContact CG-CD1 4.31Å; L821-L825 WeakPolarHBondContact O-CB 3.23Å; L821-L825 VanDerWaalsContact O-CG 3.24Å; L821-L825 WeakPolarHBondContact O-CG 3.2Å; L821-L825 PolarHBondContact O-N 3.3Å |
| 822 | I | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.5 | -46.2 | 175 | -69 | 160 | 0 | 0 | 0 | 111 | I801 A818 A819 G820 D824 L825 C826 I843 L847 A865 L869 | I801-I822 HydrophobicContact CD1-CG1 4.01Å; I801-I822 HydrophobicContact CG2-CD1 4.13Å; A818-I822 WeakPolarHBondContact O-CD1 3.43Å; A818-I822 VanDerWaalsContact O-CG1 3.26Å; A818-I822 WeakPolarHBondContact O-CG1 3.47Å; A818-I822 PolarHBondContact O-N 3.19Å; A819-I822 PolarHBondContact O-N 3.35Å; G820-I822 VanDerWaalsContact C-N 3.35Å; G820-I822 PolarHBondContact O-N 3.32Å; I822-D824 VanDerWaalsContact C-N 3.31Å; I822-D824 PolarHBondContact O-N 2.72Å; I822-L825 PolarHBondContact O-N 2.74Å; I822-C826 PolarHBondContact O-N 2.84Å; I822-C826 PolarHBondContact O-SG 3.13Å; I822-I843 HydrophobicContact CD1-CG2 3.49Å; I822-I843 VanDerWaalsContact CD1-CG2 3.49Å; I822-I843 HydrophobicContact CG1-CG2 4.38Å; I822-L847 HydrophobicContact CD1-CD1 4.39Å; I822-L847 HydrophobicContact CD1-CD2 4.1Å; I822-L847 HydrophobicContact CD1-CG 4.26Å; I822-A865 HydrophobicContact CG2-CB 4.48Å; I822-L869 HydrophobicContact CG2-CD1 3.93Å; I822-L869 HydrophobicContact CG2-CG 4.27Å |
| 823 | G | 94.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.2 | -39.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A819 G820 L821 C826 T827 | A819-G823 PolarHBondContact O-N 3.02Å; A819-G823 VanDerWaalsContact O-N 3.1Å; G820-G823 PolarHBondContact O-N 3.09Å; G820-G823 VanDerWaalsContact O-N 3.14Å; L821-G823 PolarHBondContact O-N 3.21Å; G823-C826 WeakPolarHBondContact O-CB 3.15Å; G823-C826 PolarHBondContact O-N 2.92Å; G823-T827 WeakPolarHBondContact O-CG2 3.47Å; G823-T827 PolarHBondContact O-N 2.68Å |
| 824 | D | 94 | Very high | 91.9 | Very high | 14 Ų | 14 | 19.2 Ų | 19.2 | 8% | 0.075 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.8 | -47.1 | 176.5 | -77.3 | -3.5 | 0 | 0 | 0 | 112.3 | T770 I773 Q774 G820 L821 I822 C826 T827 A828 W864 | T770-D824 VanDerWaalsContact CG2-OD2 3.27Å; T770-D824 WeakPolarHBondContact CG2-OD2 3.33Å; I773-D824 HydrophobicContact CG2-CB 4.47Å; Q774-D824 WeakPolarHBondContact CG-OD2 3.41Å; Q774-D824 PolarHBondContact NE2-OD1 3.21Å; Q774-D824 PolarHBondContact NE2-OD2 3.29Å; G820-D824 PolarHBondContact O-N 2.72Å; L821-D824 PolarHBondContact O-N 3.05Å; I822-D824 VanDerWaalsContact C-N 3.31Å; I822-D824 PolarHBondContact O-N 2.72Å; D824-C826 VanDerWaalsContact C-N 3.27Å; D824-C826 PolarHBondContact O-N 3.12Å; D824-T827 PolarHBondContact O-N 2.8Å; D824-T827 VanDerWaalsContact O-N 3.08Å; D824-T827 PolarHBondContact O-OG1 3.4Å; D824-A828 WeakPolarHBondContact O-CB 3.42Å; D824-A828 PolarHBondContact O-N 3.13Å; D824-W864 VanDerWaalsContact OD1-CH2 3.26Å; D824-W864 WeakPolarHBondContact OD1-CH2 3.46Å |
| 825 | L | 93.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.6 | -40.9 | 173.2 | -71.2 | 171 | 0 | 0 | 0 | 111.8 | I773 V794 I797 L798 L821 I822 T827 A828 F829 M833 | I773-L825 HydrophobicContact CD1-CD2 3.52Å; I773-L825 HydrophobicContact CD1-CG 4.15Å; V794-L825 HydrophobicContact CG1-CD2 4.42Å; V794-L825 HydrophobicContact CG2-CD2 4.15Å; I797-L825 HydrophobicContact CG2-CD1 4.04Å; L798-L825 HydrophobicContact CD2-CD1 4.09Å; L821-L825 HydrophobicContact CD1-CG 4.29Å; L821-L825 HydrophobicContact CG-CD1 4.31Å; L821-L825 WeakPolarHBondContact O-CB 3.23Å; L821-L825 VanDerWaalsContact O-CG 3.24Å; L821-L825 WeakPolarHBondContact O-CG 3.2Å; L821-L825 PolarHBondContact O-N 3.3Å; I822-L825 PolarHBondContact O-N 2.74Å; L825-T827 VanDerWaalsContact C-N 3.35Å; L825-T827 PolarHBondContact O-N 2.94Å; L825-A828 PolarHBondContact O-N 2.83Å; L825-F829 HydrophobicContact CD2-CD2 3.81Å; L825-F829 HydrophobicContact CD2-CE2 3.67Å; L825-F829 PolarHBondContact O-N 3.38Å; L825-M833 HydrophobicContact CB-CE 3.72Å; L825-M833 HydrophobicContact CB-CG 4.45Å; L825-M833 HydrophobicContact CB-SD 4.04Å; L825-M833 HydrophobicContact CD1-CE 4.04Å; L825-M833 HydrophobicContact CG-CE 4.41Å; L825-M833 WeakPolarHBondContact O-CG 3.34Å |
| 826 | C | 91.9 | Very high | 91 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 3% | 0.027 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.9 | -42.2 | 175.9 | -69 | 0 | 0 | 0 | 0 | 112 | I822 G823 D824 G830 E868 L869 L872 | I822-C826 PolarHBondContact O-N 2.84Å; I822-C826 PolarHBondContact O-SG 3.13Å; G823-C826 WeakPolarHBondContact O-CB 3.15Å; G823-C826 PolarHBondContact O-N 2.92Å; D824-C826 VanDerWaalsContact C-N 3.27Å; D824-C826 PolarHBondContact O-N 3.12Å; C826-G830 WeakPolarHBondContact O-CA 3.41Å; C826-G830 PolarHBondContact O-N 3.15Å; C826-G830 VanDerWaalsContact O-N 3.15Å; C826-E868 HydrophobicContact CB-CB 4.02Å; C826-L869 WeakPolarHBondContact SG-CD2 3.27Å; C826-L872 HydrophobicContact CB-CD1 3.72Å |
| 827 | T | 90.5 | Very high | 90.5 | Very high | 44 Ų | 44 | 27.8 Ų | 27.8 | 27% | 0.27 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -73.1 | -29.3 | 178.2 | 68.8 | 0 | 0 | 0 | 0 | 113.3 | K777 G823 D824 L825 W864 E868 | K777-T827 PolarHBondContact NZ-OG1 3.14Å; G823-T827 WeakPolarHBondContact O-CG2 3.47Å; G823-T827 PolarHBondContact O-N 2.68Å; D824-T827 PolarHBondContact O-N 2.8Å; D824-T827 VanDerWaalsContact O-N 3.08Å; D824-T827 PolarHBondContact O-OG1 3.4Å; L825-T827 VanDerWaalsContact C-N 3.35Å; L825-T827 PolarHBondContact O-N 2.94Å; T827-W864 HydrophobicContact CG2-CZ2 4.3Å; T827-E868 HydrophobicContact CG2-CG 4.4Å |
| 828 | A | 90.4 | Very high | 89.9 | Confident | 6 Ų | 6 | 32.4 Ų | 32.4 | 5% | 0.05 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -84.3 | -45.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I773 K777 V787 D824 L825 | I773-A828 HydrophobicContact CG2-CB 3.8Å; K777-A828 HydrophobicContact CD-CB 4.34Å; V787-A828 HydrophobicContact CG2-CB 4.16Å; D824-A828 WeakPolarHBondContact O-CB 3.42Å; D824-A828 PolarHBondContact O-N 3.13Å; L825-A828 PolarHBondContact O-N 2.83Å |
| 829 | F | 89.5 | Confident | 89.3 | Confident | 25 Ų | 25 | 38.7 Ų | 38.7 | 11% | 0.11 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -109.6 | -7.8 | -171.2 | -58.9 | -72.4 | 0 | 0 | 0 | 113.9 | V787 M788 V790 Q791 V794 L825 M833 | V787-F829 HydrophobicContact CG1-CE1 4.42Å; V787-F829 HydrophobicContact CG2-CE1 4.38Å; V787-F829 HydrophobicContact CG2-CZ 3.91Å; V787-F829 WeakPolarHBondContact O-CE1 3.21Å; V787-F829 WeakPolarHBondContact O-CZ 3.36Å; M788-F829 HydrophobicContact CE-CD1 3.77Å; M788-F829 HydrophobicContact CE-CE1 3.87Å; V790-F829 HydrophobicContact CB-CZ 4.35Å; Q791-F829 HydrophobicContact CB-CD1 4.18Å; Q791-F829 HydrophobicContact CB-CE1 3.71Å; Q791-F829 HydrophobicContact CG-CD1 4.08Å; Q791-F829 HydrophobicContact CG-CE1 4.13Å; V794-F829 HydrophobicContact CG2-CD1 4.47Å; V794-F829 HydrophobicContact CG2-CD2 3.72Å; V794-F829 HydrophobicContact CG2-CE1 4.28Å; V794-F829 HydrophobicContact CG2-CE2 3.49Å; V794-F829 VanDerWaalsContact CG2-CE2 3.49Å; V794-F829 HydrophobicContact CG2-CG 4.21Å; V794-F829 HydrophobicContact CG2-CZ 3.78Å; L825-F829 HydrophobicContact CD2-CD2 3.81Å; L825-F829 HydrophobicContact CD2-CE2 3.67Å; L825-F829 PolarHBondContact O-N 3.38Å; F829-M833 HydrophobicContact CB-CG 3.98Å; F829-M833 HydrophobicContact CB-SD 4.04Å; F829-M833 HydrophobicContact CD2-SD 4.4Å |
| 830 | G | 87.1 | Confident | 88.9 | Confident | 21 Ų | 21 | 39.5 Ų | 39.5 | 22% | 0.216 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | -137.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | C826 D832 M833 L872 | C826-G830 WeakPolarHBondContact O-CA 3.41Å; C826-G830 PolarHBondContact O-N 3.15Å; C826-G830 VanDerWaalsContact O-N 3.15Å; G830-D832 VanDerWaalsContact C-N 3.28Å; G830-D832 PolarHBondContact O-N 3.44Å; G830-D832 VanDerWaalsContact O-N 3.16Å; G830-M833 VanDerWaalsContact O-CB 3.31Å; G830-M833 WeakPolarHBondContact O-CB 3.26Å; G830-M833 WeakPolarHBondContact O-CG 3.41Å; G830-M833 PolarHBondContact O-N 3.28Å; G830-M833 VanDerWaalsContact O-N 3.15Å; G830-L872 WeakPolarHBondContact O-CD1 2.94Å |
| 831 | K | 83.5 | Confident | 88.4 | Confident | 106 Ų | 106 | 43 Ų | 43 | 46% | 0.461 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -28 | -164.7 | -71.8 | -174.2 | 176.1 | -177.6 | 0 | 115.1 | M833 M834 Q875 | K831-M833 PolarHBondContact O-N 3.43Å; K831-M834 WeakPolarHBondContact O-CB 3.48Å; K831-M834 PolarHBondContact O-N 3.47Å; K831-M834 VanDerWaalsContact O-N 3.13Å; K831-Q875 VanDerWaalsContact CE-O 3.26Å; K831-Q875 WeakPolarHBondContact CE-O 3.33Å; K831-Q875 PolarHBondContact NZ-O 2.56Å |
| 832 | D | 83.4 | Confident | 88.2 | Confident | 104 Ų | 104 | 45.5 Ų | 45.5 | 56% | 0.556 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -64.5 | -24.7 | -178.9 | -68.4 | -33.4 | 0 | 0 | 0 | 112 | G830 M834 | G830-D832 VanDerWaalsContact C-N 3.28Å; G830-D832 PolarHBondContact O-N 3.44Å; G830-D832 VanDerWaalsContact O-N 3.16Å; D832-M834 VanDerWaalsContact C-N 3.31Å; D832-M834 PolarHBondContact O-N 3.3Å |
| 833 | M | 85.2 | Confident | 88 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.2 | -36.2 | 173.8 | -66.7 | -52 | -50.2 | 0 | 0 | 113.5 | V794 L798 L825 F829 G830 K831 K835 L836 V837 L872 | V794-M833 HydrophobicContact CG1-CE 3.87Å; V794-M833 HydrophobicContact CG1-SD 3.41Å; V794-M833 WeakPolarHBondContact CG1-SD 3.48Å; L798-M833 HydrophobicContact CD1-CE 3.59Å; L798-M833 HydrophobicContact CD2-CE 3.87Å; L798-M833 HydrophobicContact CG-CE 4Å; L825-M833 HydrophobicContact CB-CE 3.72Å; L825-M833 HydrophobicContact CB-CG 4.45Å; L825-M833 HydrophobicContact CB-SD 4.04Å; L825-M833 HydrophobicContact CD1-CE 4.04Å; L825-M833 HydrophobicContact CG-CE 4.41Å; L825-M833 WeakPolarHBondContact O-CG 3.34Å; F829-M833 HydrophobicContact CB-CG 3.98Å; F829-M833 HydrophobicContact CB-SD 4.04Å; F829-M833 HydrophobicContact CD2-SD 4.4Å; G830-M833 VanDerWaalsContact O-CB 3.31Å; G830-M833 WeakPolarHBondContact O-CB 3.26Å; G830-M833 WeakPolarHBondContact O-CG 3.41Å; G830-M833 PolarHBondContact O-N 3.28Å; G830-M833 VanDerWaalsContact O-N 3.15Å; K831-M833 PolarHBondContact O-N 3.43Å; M833-K835 VanDerWaalsContact C-N 3.33Å; M833-K835 PolarHBondContact O-N 3.08Å; M833-L836 PolarHBondContact O-N 3.15Å; M833-V837 HydrophobicContact CE-CG2 4.4Å; M833-V837 WeakPolarHBondContact O-CG2 3.39Å; M833-V837 PolarHBondContact O-N 2.73Å; M833-L872 HydrophobicContact CB-CD1 4.43Å |
| 834 | M | 81.2 | Confident | 87.8 | Confident | 46 Ų | 46 | 48.9 Ų | 48.9 | 23% | 0.227 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.9 | -45.7 | -175.8 | -169.8 | -154 | -55.8 | 0 | 0 | 111 | K831 D832 L836 V837 E838 L872 K873 | K831-M834 WeakPolarHBondContact O-CB 3.48Å; K831-M834 PolarHBondContact O-N 3.47Å; K831-M834 VanDerWaalsContact O-N 3.13Å; D832-M834 VanDerWaalsContact C-N 3.31Å; D832-M834 PolarHBondContact O-N 3.3Å; M834-L836 VanDerWaalsContact C-N 3.32Å; M834-L836 PolarHBondContact O-N 3.28Å; M834-V837 PolarHBondContact O-N 2.94Å; M834-E838 HydrophobicContact CG-CG 4.4Å; M834-E838 WeakPolarHBondContact O-CB 3.27Å; M834-E838 WeakPolarHBondContact O-CG 3.33Å; M834-E838 PolarHBondContact O-N 3.38Å; M834-L872 WeakPolarHBondContact CE-O 3.43Å; M834-K873 HydrophobicContact CE-CB 4.14Å; M834-K873 HydrophobicContact CE-CG 4.5Å |
| 835 | K | 84.5 | Confident | 87.6 | Confident | 143 Ų | 143 | 52.8 Ų | 52.8 | 62% | 0.622 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.5 | -41.4 | -180 | -67.5 | 177.4 | -177.6 | 167 | 0 | 111.4 | M833 M839 | M833-K835 VanDerWaalsContact C-N 3.33Å; M833-K835 PolarHBondContact O-N 3.08Å; K835-M839 VanDerWaalsContact O-CG 3.25Å; K835-M839 WeakPolarHBondContact O-CG 3.02Å; K835-M839 PolarHBondContact O-N 3.29Å |
| 836 | L | 87.4 | Confident | 87.6 | Confident | 37 Ų | 37 | 53 Ų | 53 | 19% | 0.194 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71 | -34.8 | -177.1 | -62.6 | 173.7 | 0 | 0 | 0 | 112.6 | V794 L798 M833 M834 R840 | V794-L836 HydrophobicContact CG1-CD1 4.01Å; L798-L836 HydrophobicContact CD1-CB 3.32Å; L798-L836 HydrophobicContact CD1-CD1 4.07Å; L798-L836 HydrophobicContact CD1-CG 4.32Å; M833-L836 PolarHBondContact O-N 3.15Å; M834-L836 VanDerWaalsContact C-N 3.32Å; M834-L836 PolarHBondContact O-N 3.28Å; L836-R840 PolarHBondContact O-NH1 3Å |
| 837 | V | 86.4 | Confident | 87.7 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -75.7 | -41.6 | 175.4 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | L798 M833 M834 M839 R840 I843 L869 | L798-V837 HydrophobicContact CD1-CG2 4.33Å; L798-V837 HydrophobicContact CD2-CG2 3.99Å; M833-V837 HydrophobicContact CE-CG2 4.4Å; M833-V837 WeakPolarHBondContact O-CG2 3.39Å; M833-V837 PolarHBondContact O-N 2.73Å; M834-V837 PolarHBondContact O-N 2.94Å; V837-M839 PolarHBondContact O-N 3.03Å; V837-R840 CarbonylContact O-C 3.6Å; V837-R840 PolarHBondContact O-N 2.75Å; V837-I843 HydrophobicContact CG1-CB 4.41Å; V837-I843 HydrophobicContact CG1-CG2 4.05Å; V837-L869 HydrophobicContact CB-CD2 4.41Å; V837-L869 HydrophobicContact CG1-CD1 4.39Å; V837-L869 HydrophobicContact CG1-CD2 4.31Å; V837-L869 HydrophobicContact CG2-CD2 4.24Å |
| 838 | E | 83 | Confident | 87.7 | Confident | 114 Ų | 114 | 52.8 Ų | 52.8 | 53% | 0.533 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.2 | -26.4 | 176 | -76.1 | -176.4 | 165.3 | 0 | 0 | 112.7 | M834 R840 | M834-E838 HydrophobicContact CG-CG 4.4Å; M834-E838 WeakPolarHBondContact O-CB 3.27Å; M834-E838 WeakPolarHBondContact O-CG 3.33Å; M834-E838 PolarHBondContact O-N 3.38Å; E838-R840 PolarHBondContact O-N 3.27Å |
| 839 | M | 85.3 | Confident | 87.7 | Confident | 133 Ų | 133 | 56.6 Ų | 56.6 | 66% | 0.655 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -13.5 | 172.8 | -75.5 | 176.1 | 60.9 | 0 | 0 | 114.2 | K835 V837 | K835-M839 VanDerWaalsContact O-CG 3.25Å; K835-M839 WeakPolarHBondContact O-CG 3.02Å; K835-M839 PolarHBondContact O-N 3.29Å; V837-M839 PolarHBondContact O-N 3.03Å |
| 840 | R | 87.6 | Confident | 87.8 | Confident | 19 Ų | 19 | 55.4 Ų | 55.4 | 7% | 0.072 | 28% | 0.284 | C | S | . | . | trans | -125.3 | 83.4 | -174.4 | -70 | 169.8 | -179.2 | 75.5 | -0.5 | 109.6 | E795 S799 H802 L836 V837 E838 L842 I843 | E795-R840 IonicContact OE1-NH2 3.06Å; S799-R840 PolarHBondContact OG-NE 3.09Å; S799-R840 PolarHBondContact OG-NH2 3.39Å; H802-R840 HydrophobicContact CB-CB 4.33Å; H802-R840 HydrophobicContact CB-CG 4.28Å; L836-R840 PolarHBondContact O-NH1 3Å; V837-R840 CarbonylContact O-C 3.6Å; V837-R840 PolarHBondContact O-N 2.75Å; E838-R840 PolarHBondContact O-N 3.27Å; R840-L842 VanDerWaalsContact C-N 3.31Å; R840-L842 PolarHBondContact O-N 3.13Å; R840-I843 HydrophobicContact CB-CD1 3.7Å; R840-I843 HydrophobicContact CB-CG1 4.02Å; R840-I843 HydrophobicContact CG-CD1 4.48Å; R840-I843 PolarHBondContact O-N 3.5Å | ||
| 841 | P | 86.2 | Confident | 88 | Confident | 82 Ų | 82 | 58.3 Ų | 58.3 | 53% | 0.532 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -36 | -167.3 | 23 | -33.1 | 0 | 0 | 0 | 113.5 | I843 N844 | P841-I843 PolarHBondContact O-N 3.47Å; P841-I843 VanDerWaalsContact O-N 3.12Å; P841-N844 WeakPolarHBondContact O-CB 3.47Å; P841-N844 PolarHBondContact O-N 2.97Å |
| 842 | L | 90.9 | Very high | 88.3 | Confident | 52 Ų | 52 | 62.8 Ų | 62.8 | 27% | 0.272 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.4 | -21.7 | -177.6 | -59.7 | 176.2 | 0 | 0 | 0 | 113.6 | A805 E806 R840 N844 D845 L846 | A805-L842 HydrophobicContact CB-CB 3.88Å; E806-L842 HydrophobicContact CB-CD1 4.27Å; E806-L842 HydrophobicContact CG-CD1 3.31Å; R840-L842 VanDerWaalsContact C-N 3.31Å; R840-L842 PolarHBondContact O-N 3.13Å; L842-N844 PolarHBondContact O-N 3.17Å; L842-D845 WeakPolarHBondContact O-CB 3.43Å; L842-D845 PolarHBondContact O-N 2.94Å; L842-L846 PolarHBondContact O-N 3.09Å |
| 843 | I | 91.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.3 | -34.8 | 172.6 | -62 | -178.4 | 0 | 0 | 0 | 110.8 | L798 I801 H802 I822 V837 R840 P841 D845 L847 | L798-I843 HydrophobicContact CD2-CD1 4.19Å; I801-I843 HydrophobicContact CG2-CG1 4.37Å; H802-I843 HydrophobicContact CB-CD1 4.46Å; H802-I843 HydrophobicContact CB-CG1 4.33Å; I822-I843 HydrophobicContact CD1-CG2 3.49Å; I822-I843 VanDerWaalsContact CD1-CG2 3.49Å; I822-I843 HydrophobicContact CG1-CG2 4.38Å; V837-I843 HydrophobicContact CG1-CB 4.41Å; V837-I843 HydrophobicContact CG1-CG2 4.05Å; R840-I843 HydrophobicContact CB-CD1 3.7Å; R840-I843 HydrophobicContact CB-CG1 4.02Å; R840-I843 HydrophobicContact CG-CD1 4.48Å; R840-I843 PolarHBondContact O-N 3.5Å; P841-I843 PolarHBondContact O-N 3.47Å; P841-I843 VanDerWaalsContact O-N 3.12Å; I843-D845 VanDerWaalsContact C-N 3.33Å; I843-L847 WeakPolarHBondContact O-CG 3.44Å; I843-L847 PolarHBondContact O-N 2.96Å; I843-L847 VanDerWaalsContact O-N 3.08Å |
| 844 | N | 89.9 | Confident | 88.6 | Confident | 71 Ų | 71 | 65.4 Ų | 65.4 | 38% | 0.38 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -72.5 | -29.6 | 175.7 | -68 | -69.1 | 0 | 0 | 0 | 112.4 | P841 L842 T848 | P841-N844 WeakPolarHBondContact O-CB 3.47Å; P841-N844 PolarHBondContact O-N 2.97Å; L842-N844 PolarHBondContact O-N 3.17Å; N844-T848 WeakPolarHBondContact O-CB 3.41Å; N844-T848 PolarHBondContact O-N 3.33Å; N844-T848 PolarHBondContact O-OG1 3.11Å |
| 845 | D | 90.6 | Very high | 89 | Confident | 95 Ų | 95 | 67.2 Ų | 67.2 | 51% | 0.508 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.5 | -46.3 | 176.7 | -61.9 | -29.9 | 0 | 0 | 0 | 109.4 | L842 I843 L847 T848 E849 | L842-D845 WeakPolarHBondContact O-CB 3.43Å; L842-D845 PolarHBondContact O-N 2.94Å; I843-D845 VanDerWaalsContact C-N 3.33Å; D845-L847 PolarHBondContact O-N 2.73Å; D845-T848 CarbonylContact O-C 3.57Å; D845-T848 WeakPolarHBondContact O-CA 3.39Å; D845-T848 VanDerWaalsContact O-CB 3.31Å; D845-T848 WeakPolarHBondContact O-CB 3.14Å; D845-T848 PolarHBondContact O-N 2.92Å; D845-E849 PolarHBondContact O-N 3.04Å |
| 846 | L | 93 | Very high | 89.3 | Confident | 5 Ų | 5 | 65.7 Ų | 65.7 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.1 | -46.3 | 172 | -169.8 | 73.4 | 0 | 0 | 0 | 112.5 | I801 A805 V815 A818 L842 T848 E849 G850 | I801-L846 HydrophobicContact CG2-CD2 3.92Å; A805-L846 HydrophobicContact CB-CB 3.94Å; A805-L846 HydrophobicContact CB-CD1 4.27Å; A805-L846 HydrophobicContact CB-CD2 4.28Å; A805-L846 HydrophobicContact CB-CG 4.4Å; V815-L846 HydrophobicContact CG1-CD1 4.34Å; V815-L846 HydrophobicContact CG1-CG 4.38Å; V815-L846 HydrophobicContact CG2-CD1 3.86Å; A818-L846 HydrophobicContact CB-CD2 3.94Å; L842-L846 PolarHBondContact O-N 3.09Å; L846-T848 PolarHBondContact O-N 2.9Å; L846-E849 WeakPolarHBondContact O-CB 3.44Å; L846-E849 PolarHBondContact O-N 2.84Å; L846-G850 PolarHBondContact O-N 3.14Å |
| 847 | L | 93.5 | Very high | 89.5 | Confident | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.5 | -22.9 | 174.9 | -70.5 | 177.9 | 0 | 0 | 0 | 113.1 | A819 I822 I843 D845 R851 A865 L869 | A819-L847 HydrophobicContact CB-CD2 3.76Å; I822-L847 HydrophobicContact CD1-CD1 4.39Å; I822-L847 HydrophobicContact CD1-CD2 4.1Å; I822-L847 HydrophobicContact CD1-CG 4.26Å; I843-L847 WeakPolarHBondContact O-CG 3.44Å; I843-L847 PolarHBondContact O-N 2.96Å; I843-L847 VanDerWaalsContact O-N 3.08Å; D845-L847 PolarHBondContact O-N 2.73Å; L847-R851 VanDerWaalsContact O-CG 3.24Å; L847-R851 WeakPolarHBondContact O-CG 3.27Å; L847-R851 PolarHBondContact O-N 2.87Å; L847-R851 PolarHBondContact O-NE 2.63Å; L847-A865 HydrophobicContact CD2-CB 3.88Å; L847-L869 HydrophobicContact CD1-CD1 3.61Å |
| 848 | T | 91.8 | Very high | 89.8 | Confident | 40 Ų | 40 | 69.9 Ų | 69.9 | 25% | 0.245 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -80.2 | -41.8 | 176.4 | -62.1 | 0 | 0 | 0 | 0 | 111.1 | N844 D845 L846 R851 R852 | N844-T848 WeakPolarHBondContact O-CB 3.41Å; N844-T848 PolarHBondContact O-N 3.33Å; N844-T848 PolarHBondContact O-OG1 3.11Å; D845-T848 CarbonylContact O-C 3.57Å; D845-T848 WeakPolarHBondContact O-CA 3.39Å; D845-T848 VanDerWaalsContact O-CB 3.31Å; D845-T848 WeakPolarHBondContact O-CB 3.14Å; D845-T848 PolarHBondContact O-N 2.92Å; L846-T848 PolarHBondContact O-N 2.9Å; T848-R851 PolarHBondContact O-N 3.44Å; T848-R851 PolarHBondContact OG1-NH2 3.09Å; T848-R852 WeakPolarHBondContact O-CG 3.46Å; T848-R852 PolarHBondContact O-N 3.09Å |
| 849 | E | 90.2 | Very high | 90.2 | Very high | 87 Ų | 87 | 69.5 Ų | 69.5 | 41% | 0.407 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -56.9 | -54.3 | 170.1 | -175.8 | -171.4 | 159.3 | 0 | 0 | 111.1 | H810 D845 L846 R851 R852 S853 | H810-E849 IonicContact CD2-OE1 2.78Å; H810-E849 PolarHBondContact CD2-OE1 2.62Å; H810-E849 IonicContact CE1-OE2 3.58Å; H810-E849 VanDerWaalsContact NE2-CD 3.34Å; H810-E849 IonicContact NE2-OE1 3.71Å; H810-E849 PolarHBondContact NE2-OE1 3.22Å; H810-E849 IonicContact NE2-OE2 3.84Å; H810-E849 PolarHBondContact NE2-OE2 3.39Å; H810-E849 VanDerWaalsContact NE2-OE2 3.09Å; D845-E849 PolarHBondContact O-N 3.04Å; L846-E849 WeakPolarHBondContact O-CB 3.44Å; L846-E849 PolarHBondContact O-N 2.84Å; E849-R851 PolarHBondContact O-N 3.44Å; E849-R851 VanDerWaalsContact O-N 3.07Å; E849-R852 CarbonylContact O-C 3.53Å; E849-R852 WeakPolarHBondContact O-CA 3.01Å; E849-R852 WeakPolarHBondContact O-CB 3.14Å; E849-R852 PolarHBondContact O-N 3.28Å; E849-S853 PolarHBondContact O-N 3.39Å |
| 850 | G | 91.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.9 | -30.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L846 R852 S853 K859 | L846-G850 PolarHBondContact O-N 3.14Å; G850-R852 VanDerWaalsContact C-N 3.31Å; G850-R852 PolarHBondContact O-N 3.39Å; G850-S853 WeakPolarHBondContact O-CB 3.47Å; G850-S853 PolarHBondContact O-N 3.02Å; G850-K859 WeakPolarHBondContact O-CA 3.44Å; G850-K859 PolarHBondContact O-N 3.24Å |
| 851 | R | 91.9 | Very high | 91 | Very high | 81 Ų | 81 | 68.4 Ų | 68.4 | 31% | 0.306 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -73.4 | -20.4 | 174.4 | -75.1 | -179.5 | -63.2 | 152.6 | 0.8 | 114 | L847 T848 E849 A862 | L847-R851 VanDerWaalsContact O-CG 3.24Å; L847-R851 WeakPolarHBondContact O-CG 3.27Å; L847-R851 PolarHBondContact O-N 2.87Å; L847-R851 PolarHBondContact O-NE 2.63Å; T848-R851 PolarHBondContact O-N 3.44Å; T848-R851 PolarHBondContact OG1-NH2 3.09Å; E849-R851 PolarHBondContact O-N 3.44Å; E849-R851 VanDerWaalsContact O-N 3.07Å; R851-A862 HydrophobicContact CG-CB 3.95Å |
| 852 | R | 88.6 | Confident | 91.5 | Very high | 200 Ų | 200 | 64.5 Ų | 64.5 | 76% | 0.755 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -92.4 | -17.4 | 175.4 | -66.4 | 176.9 | -177.9 | -179.8 | 2.3 | 112.5 | T848 E849 G850 | T848-R852 WeakPolarHBondContact O-CG 3.46Å; T848-R852 PolarHBondContact O-N 3.09Å; E849-R852 CarbonylContact O-C 3.53Å; E849-R852 WeakPolarHBondContact O-CA 3.01Å; E849-R852 WeakPolarHBondContact O-CB 3.14Å; E849-R852 PolarHBondContact O-N 3.28Å; G850-R852 VanDerWaalsContact C-N 3.31Å; G850-R852 PolarHBondContact O-N 3.39Å |
| 853 | S | 88.4 | Confident | 91.6 | Very high | 14 Ų | 14 | 65.4 Ų | 65.4 | 10% | 0.098 | 32% | 0.319 | C | S | . | . | trans | -49.4 | 142.5 | 176.9 | 176.8 | 0 | 0 | 0 | 0 | 112.7 | D812 E849 G850 I855 | D812-S853 VanDerWaalsContact CG-OG 3.27Å; D812-S853 WeakPolarHBondContact OD1-CB 3.43Å; D812-S853 PolarHBondContact OD1-OG 3.13Å; D812-S853 PolarHBondContact OD2-OG 3.23Å; E849-S853 PolarHBondContact O-N 3.39Å; G850-S853 WeakPolarHBondContact O-CB 3.47Å; G850-S853 PolarHBondContact O-N 3.02Å; S853-I855 VanDerWaalsContact C-N 3.28Å; S853-I855 PolarHBondContact OG-N 3.45Å | ||
| 854 | K | 87.3 | Confident | 91.8 | Very high | 148 Ų | 148 | 69.2 Ų | 69.2 | 64% | 0.643 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -73.5 | -23.2 | 172.3 | -67.9 | 175.2 | 179.2 | 166.6 | 0 | 111.5 | E302 V856 | E302-K854 VanDerWaalsContact CD-CE 3.48Å; E302-K854 WeakPolarHBondContact OE1-CE 3.05Å; E302-K854 IonicContact OE1-NZ 3.66Å; E302-K854 PolarHBondContact OE1-NZ 3.22Å; E302-K854 WeakPolarHBondContact OE2-CE 3.23Å; E302-K854 IonicContact OE2-NZ 3.82Å; E302-K854 PolarHBondContact OE2-NZ 3.03Å; K854-V856 PolarHBondContact O-N 3.29Å |
| 855 | I | 89.9 | Confident | 92.1 | Very high | 83 Ų | 83 | 65.8 Ų | 65.8 | 43% | 0.426 | 32% | 0.315 | S | S | . | . | trans | -76.2 | 119.7 | -179.8 | -55 | -165.2 | 0 | 0 | 0 | 110 | D812 S853 K857 T858 K859 | D812-I855 HydrophobicContact CB-CD1 3.58Å; D812-I855 HydrophobicContact CB-CG1 4.29Å; S853-I855 VanDerWaalsContact C-N 3.28Å; S853-I855 PolarHBondContact OG-N 3.45Å; I855-K857 VanDerWaalsContact C-N 3.31Å; I855-K857 HydrophobicContact CG2-CB 4.37Å; I855-K857 PolarHBondContact O-N 3.34Å; I855-T858 PolarHBondContact O-N 2.95Å; I855-K859 WeakPolarHBondContact O-CB 3.37Å; I855-K859 PolarHBondContact O-N 3.49Å | ||
| 856 | V | 90.3 | Very high | 92.2 | Very high | 111 Ų | 111 | 62.2 Ų | 62.2 | 67% | 0.673 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -59.4 | -40.8 | -174.7 | 178.8 | 0 | 0 | 0 | 0 | 111.9 | K854 T860 | K854-V856 PolarHBondContact O-N 3.29Å; V856-T860 VanDerWaalsContact O-CB 3.28Å; V856-T860 WeakPolarHBondContact O-CB 3.43Å; V856-T860 PolarHBondContact O-N 3.12Å; V856-T860 PolarHBondContact O-OG1 3.3Å |
| 857 | K | 91.3 | Very high | 92.2 | Very high | 127 Ų | 127 | 68 Ų | 68 | 55% | 0.552 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61 | -52.3 | 178.2 | -174.2 | -177 | 176.3 | -169.8 | 0 | 110.9 | I855 K859 T860 L861 | I855-K857 VanDerWaalsContact C-N 3.31Å; I855-K857 HydrophobicContact CG2-CB 4.37Å; I855-K857 PolarHBondContact O-N 3.34Å; K857-K859 PolarHBondContact O-N 3.04Å; K857-T860 PolarHBondContact O-N 3.16Å; K857-L861 HydrophobicContact CG-CD1 4.16Å; K857-L861 PolarHBondContact O-N 2.93Å |
| 858 | T | 92.3 | Very high | 92.1 | Very high | 3 Ų | 3 | 68.9 Ų | 68.9 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.2 | -49.3 | 178.8 | -48.4 | 0 | 0 | 0 | 0 | 111.4 | D812 V815 A816 I855 T860 L861 A862 | D812-T858 PolarHBondContact O-OG1 2.95Å; D812-T858 WeakPolarHBondContact OD1-CG2 3.32Å; V815-T858 HydrophobicContact CB-CG2 3.97Å; V815-T858 HydrophobicContact CG1-CG2 3.72Å; A816-T858 HydrophobicContact CB-CG2 4.12Å; I855-T858 PolarHBondContact O-N 2.95Å; T858-T860 VanDerWaalsContact C-N 3.32Å; T858-T860 PolarHBondContact O-N 3.4Å; T858-L861 PolarHBondContact O-N 3.08Å; T858-A862 VanDerWaalsContact O-CB 3.28Å; T858-A862 WeakPolarHBondContact O-CB 3.48Å; T858-A862 PolarHBondContact O-N 2.93Å |
| 859 | K | 93.1 | Very high | 92 | Very high | 106 Ų | 106 | 68 Ų | 68 | 46% | 0.461 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 177.7 | -174.5 | 173.9 | -175 | 173 | 0 | 113.3 | G850 I855 K857 T863 | G850-K859 WeakPolarHBondContact O-CA 3.44Å; G850-K859 PolarHBondContact O-N 3.24Å; I855-K859 WeakPolarHBondContact O-CB 3.37Å; I855-K859 PolarHBondContact O-N 3.49Å; K857-K859 PolarHBondContact O-N 3.04Å; K859-T863 WeakPolarHBondContact O-CB 3.39Å; K859-T863 PolarHBondContact O-N 3.46Å; K859-T863 PolarHBondContact O-OG1 3Å |
| 860 | T | 94.8 | Very high | 91.9 | Very high | 83 Ų | 83 | 71.6 Ų | 71.6 | 51% | 0.509 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.5 | -49.8 | 180 | -59.7 | 0 | 0 | 0 | 0 | 111 | V856 K857 T858 T863 W864 | V856-T860 VanDerWaalsContact O-CB 3.28Å; V856-T860 WeakPolarHBondContact O-CB 3.43Å; V856-T860 PolarHBondContact O-N 3.12Å; V856-T860 PolarHBondContact O-OG1 3.3Å; K857-T860 PolarHBondContact O-N 3.16Å; T858-T860 VanDerWaalsContact C-N 3.32Å; T858-T860 PolarHBondContact O-N 3.4Å; T860-T863 PolarHBondContact O-N 3.23Å; T860-W864 WeakPolarHBondContact O-CB 3.22Å; T860-W864 PolarHBondContact O-N 3.18Å |
| 861 | L | 95.1 | Very high | 91.8 | Very high | 46 Ų | 46 | 75.5 Ų | 75.5 | 24% | 0.241 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.5 | -43.9 | -180 | -69.1 | 176.5 | 0 | 0 | 0 | 111.9 | A816 A819 K857 T858 T863 W864 A865 | A816-L861 HydrophobicContact CB-CD1 4.17Å; A816-L861 WeakPolarHBondContact O-CD1 3.32Å; A819-L861 HydrophobicContact CB-CB 4.27Å; K857-L861 HydrophobicContact CG-CD1 4.16Å; K857-L861 PolarHBondContact O-N 2.93Å; T858-L861 PolarHBondContact O-N 3.08Å; L861-T863 VanDerWaalsContact C-N 3.34Å; L861-T863 PolarHBondContact O-N 3.36Å; L861-W864 PolarHBondContact O-N 3.33Å; L861-A865 WeakPolarHBondContact O-CB 3.46Å; L861-A865 PolarHBondContact O-N 3.03Å |
| 862 | A | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.2 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | A819 R851 T858 T866 | A819-A862 HydrophobicContact CB-CB 4.21Å; R851-A862 HydrophobicContact CG-CB 3.95Å; T858-A862 VanDerWaalsContact O-CB 3.28Å; T858-A862 WeakPolarHBondContact O-CB 3.48Å; T858-A862 PolarHBondContact O-N 2.93Å; A862-T866 WeakPolarHBondContact O-CB 3.26Å; A862-T866 PolarHBondContact O-N 3.12Å; A862-T866 VanDerWaalsContact O-N 3.07Å; A862-T866 PolarHBondContact O-OG1 2.84Å |
| 863 | T | 94.5 | Very high | 91.1 | Very high | 71 Ų | 71 | 69.3 Ų | 69.3 | 44% | 0.436 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 174.7 | -60.8 | 0 | 0 | 0 | 0 | 111.4 | K859 T860 L861 K867 | K859-T863 WeakPolarHBondContact O-CB 3.39Å; K859-T863 PolarHBondContact O-N 3.46Å; K859-T863 PolarHBondContact O-OG1 3Å; T860-T863 PolarHBondContact O-N 3.23Å; L861-T863 VanDerWaalsContact C-N 3.34Å; L861-T863 PolarHBondContact O-N 3.36Å; T863-K867 PolarHBondContact O-N 2.91Å |
| 864 | W | 96.2 | Very high | 90.4 | Very high | 79 Ų | 79 | 73 Ų | 73 | 30% | 0.299 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65 | -49.4 | 178.1 | 172.1 | 75.8 | 0 | 0 | 0 | 112 | G820 D824 T827 T860 L861 T866 K867 E868 | G820-W864 WeakPolarHBondContact O-CZ3 3.35Å; D824-W864 VanDerWaalsContact OD1-CH2 3.26Å; D824-W864 WeakPolarHBondContact OD1-CH2 3.46Å; T827-W864 HydrophobicContact CG2-CZ2 4.3Å; T860-W864 WeakPolarHBondContact O-CB 3.22Å; T860-W864 PolarHBondContact O-N 3.18Å; L861-W864 PolarHBondContact O-N 3.33Å; W864-T866 VanDerWaalsContact C-N 3.31Å; W864-T866 PolarHBondContact O-N 3.1Å; W864-K867 WeakPolarHBondContact O-CA 3.37Å; W864-K867 VanDerWaalsContact O-CB 3.27Å; W864-K867 WeakPolarHBondContact O-CB 3.22Å; W864-K867 PolarHBondContact O-N 3.01Å; W864-E868 HydrophobicContact CD2-CG 4.33Å; W864-E868 HydrophobicContact CZ2-CG 3.88Å; W864-E868 PolarHBondContact NE1-OE1 3.49Å; W864-E868 PolarHBondContact O-N 3.28Å |
| 865 | A | 94.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.1 | -43.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | A819 I822 L847 L861 K867 E868 L869 | A819-A865 HydrophobicContact CB-CB 4.38Å; A819-A865 WeakPolarHBondContact O-CB 3.42Å; I822-A865 HydrophobicContact CG2-CB 4.48Å; L847-A865 HydrophobicContact CD2-CB 3.88Å; L861-A865 WeakPolarHBondContact O-CB 3.46Å; L861-A865 PolarHBondContact O-N 3.03Å; A865-K867 VanDerWaalsContact C-N 3.27Å; A865-K867 PolarHBondContact O-N 3.44Å; A865-E868 PolarHBondContact O-N 3.06Å; A865-L869 PolarHBondContact O-N 3.13Å |
| 866 | T | 93.1 | Very high | 87.3 | Confident | 19 Ų | 19 | 74.4 Ų | 74.4 | 12% | 0.117 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.9 | -38 | 173.8 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | A862 W864 R870 | A862-T866 WeakPolarHBondContact O-CB 3.26Å; A862-T866 PolarHBondContact O-N 3.12Å; A862-T866 VanDerWaalsContact O-N 3.07Å; A862-T866 PolarHBondContact O-OG1 2.84Å; W864-T866 VanDerWaalsContact C-N 3.31Å; W864-T866 PolarHBondContact O-N 3.1Å; T866-R870 VanDerWaalsContact O-CG 3.28Å; T866-R870 WeakPolarHBondContact O-CG 3.31Å; T866-R870 PolarHBondContact O-N 2.9Å; T866-R870 VanDerWaalsContact O-N 3.1Å |
| 867 | K | 92.9 | Very high | 87.2 | Confident | 126 Ų | 126 | 72.6 Ų | 72.6 | 55% | 0.548 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67.8 | -43.7 | 177.2 | -176.8 | -175.1 | 178.5 | -177 | 0 | 111.3 | T863 W864 A865 R870 K871 | T863-K867 PolarHBondContact O-N 2.91Å; W864-K867 WeakPolarHBondContact O-CA 3.37Å; W864-K867 VanDerWaalsContact O-CB 3.27Å; W864-K867 WeakPolarHBondContact O-CB 3.22Å; W864-K867 PolarHBondContact O-N 3.01Å; A865-K867 VanDerWaalsContact C-N 3.27Å; A865-K867 PolarHBondContact O-N 3.44Å; K867-R870 PolarHBondContact O-N 3.41Å; K867-K871 WeakPolarHBondContact O-CG 3.46Å; K867-K871 PolarHBondContact O-N 3.39Å |
| 868 | E | 91.9 | Very high | 86.9 | Confident | 23 Ų | 23 | 69.7 Ų | 69.7 | 11% | 0.107 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 177.6 | -63.4 | -48.1 | 126.7 | 0 | 0 | 111.8 | C826 T827 W864 A865 R870 K871 L872 | C826-E868 HydrophobicContact CB-CB 4.02Å; T827-E868 HydrophobicContact CG2-CG 4.4Å; W864-E868 HydrophobicContact CD2-CG 4.33Å; W864-E868 HydrophobicContact CZ2-CG 3.88Å; W864-E868 PolarHBondContact NE1-OE1 3.49Å; W864-E868 PolarHBondContact O-N 3.28Å; A865-E868 PolarHBondContact O-N 3.06Å; E868-R870 VanDerWaalsContact C-N 3.3Å; E868-R870 PolarHBondContact O-N 2.86Å; E868-K871 VanDerWaalsContact CD-NZ 3.29Å; E868-K871 WeakPolarHBondContact O-CB 3.32Å; E868-K871 PolarHBondContact O-N 3.12Å; E868-K871 VanDerWaalsContact O-N 3.14Å; E868-K871 WeakPolarHBondContact OE1-CE 3.49Å; E868-K871 IonicContact OE1-NZ 3.49Å; E868-K871 PolarHBondContact OE1-NZ 3.33Å; E868-K871 WeakPolarHBondContact OE2-CD 3.36Å; E868-K871 IonicContact OE2-NZ 2.83Å; E868-K871 PolarHBondContact OE2-NZ 3.35Å; E868-K871 VanDerWaalsContact OE2-NZ 3.08Å; E868-L872 PolarHBondContact O-N 3.39Å; E868-L872 VanDerWaalsContact O-N 3.16Å |
| 869 | L | 89.5 | Confident | 86.6 | Confident | 22 Ų | 22 | 73.4 Ų | 73.4 | 12% | 0.115 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -57.1 | -42.2 | 172.8 | -76.8 | 169.4 | 0 | 0 | 0 | 112.4 | I822 C826 V837 L847 A865 L872 K873 | I822-L869 HydrophobicContact CG2-CD1 3.93Å; I822-L869 HydrophobicContact CG2-CG 4.27Å; C826-L869 WeakPolarHBondContact SG-CD2 3.27Å; V837-L869 HydrophobicContact CB-CD2 4.41Å; V837-L869 HydrophobicContact CG1-CD1 4.39Å; V837-L869 HydrophobicContact CG1-CD2 4.31Å; V837-L869 HydrophobicContact CG2-CD2 4.24Å; L847-L869 HydrophobicContact CD1-CD1 3.61Å; A865-L869 PolarHBondContact O-N 3.13Å; L869-L872 PolarHBondContact O-N 2.84Å; L869-K873 PolarHBondContact O-N 3.37Å |
| 870 | R | 88.5 | Confident | 86.3 | Confident | 162 Ų | 162 | 71.5 Ų | 71.5 | 61% | 0.611 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.1 | -38.6 | 176.4 | -75.9 | 175.5 | -175.3 | -176.8 | 2.8 | 112.7 | T866 K867 E868 L872 K873 S874 | T866-R870 VanDerWaalsContact O-CG 3.28Å; T866-R870 WeakPolarHBondContact O-CG 3.31Å; T866-R870 PolarHBondContact O-N 2.9Å; T866-R870 VanDerWaalsContact O-N 3.1Å; K867-R870 PolarHBondContact O-N 3.41Å; E868-R870 VanDerWaalsContact C-N 3.3Å; E868-R870 PolarHBondContact O-N 2.86Å; R870-L872 VanDerWaalsContact C-N 3.31Å; R870-L872 PolarHBondContact O-N 2.9Å; R870-K873 WeakPolarHBondContact O-CB 3.46Å; R870-K873 PolarHBondContact O-N 3.41Å; R870-K873 VanDerWaalsContact O-N 3.15Å; R870-S874 PolarHBondContact O-N 3.02Å; R870-S874 PolarHBondContact O-OG 3.06Å |
| 871 | K | 88.4 | Confident | 85.7 | Confident | 81 Ų | 81 | 70.8 Ų | 70.8 | 35% | 0.352 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.9 | -44.8 | 176.3 | -74.7 | 175.1 | -176.3 | 171.3 | 0 | 110.8 | K867 E868 K873 S874 Q875 | K867-K871 WeakPolarHBondContact O-CG 3.46Å; K867-K871 PolarHBondContact O-N 3.39Å; E868-K871 VanDerWaalsContact CD-NZ 3.29Å; E868-K871 WeakPolarHBondContact O-CB 3.32Å; E868-K871 PolarHBondContact O-N 3.12Å; E868-K871 VanDerWaalsContact O-N 3.14Å; E868-K871 WeakPolarHBondContact OE1-CE 3.49Å; E868-K871 IonicContact OE1-NZ 3.49Å; E868-K871 PolarHBondContact OE1-NZ 3.33Å; E868-K871 WeakPolarHBondContact OE2-CD 3.36Å; E868-K871 IonicContact OE2-NZ 2.83Å; E868-K871 PolarHBondContact OE2-NZ 3.35Å; E868-K871 VanDerWaalsContact OE2-NZ 3.08Å; K871-K873 PolarHBondContact O-N 3.39Å; K871-S874 WeakPolarHBondContact CA-OG 3.27Å; K871-S874 CarbonylContact O-C 3.54Å; K871-S874 PolarHBondContact O-N 2.9Å; K871-S874 PolarHBondContact O-OG 3.48Å; K871-Q875 PolarHBondContact O-N 2.94Å |
| 872 | L | 86.6 | Confident | 85.1 | Confident | 13 Ų | 13 | 72.5 Ų | 72.5 | 7% | 0.068 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.7 | -34.1 | 177 | -65 | 178.5 | 0 | 0 | 0 | 112.6 | C826 G830 M833 M834 E868 L869 R870 | C826-L872 HydrophobicContact CB-CD1 3.72Å; G830-L872 WeakPolarHBondContact O-CD1 2.94Å; M833-L872 HydrophobicContact CB-CD1 4.43Å; M834-L872 WeakPolarHBondContact CE-O 3.43Å; E868-L872 PolarHBondContact O-N 3.39Å; E868-L872 VanDerWaalsContact O-N 3.16Å; L869-L872 PolarHBondContact O-N 2.84Å; R870-L872 VanDerWaalsContact C-N 3.31Å; R870-L872 PolarHBondContact O-N 2.9Å |
| 873 | K | 79.9 | Confident | 84.4 | Confident | 138 Ų | 138 | 77.6 Ų | 77.6 | 60% | 0.6 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -69.1 | -35.8 | 173.2 | -167.3 | 168.7 | -173.9 | 154.3 | 0 | 113.1 | M834 L869 R870 K871 | M834-K873 HydrophobicContact CE-CB 4.14Å; M834-K873 HydrophobicContact CE-CG 4.5Å; L869-K873 PolarHBondContact O-N 3.37Å; R870-K873 WeakPolarHBondContact O-CB 3.46Å; R870-K873 PolarHBondContact O-N 3.41Å; R870-K873 VanDerWaalsContact O-N 3.15Å; K871-K873 PolarHBondContact O-N 3.39Å |
| 874 | S | 73.6 | Confident | 83.6 | Confident | 91 Ų | 91 | 78.2 Ų | 78.2 | 64% | 0.636 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -84.7 | -19.1 | 179.7 | 64.1 | 0 | 0 | 0 | 0 | 115.2 | R870 K871 A876 | R870-S874 PolarHBondContact O-N 3.02Å; R870-S874 PolarHBondContact O-OG 3.06Å; K871-S874 WeakPolarHBondContact CA-OG 3.27Å; K871-S874 CarbonylContact O-C 3.54Å; K871-S874 PolarHBondContact O-N 2.9Å; K871-S874 PolarHBondContact O-OG 3.48Å; S874-A876 PolarHBondContact O-N 3.1Å |
| 875 | Q | 66.3 | Low | 82.6 | Confident | 123 Ų | 123 | 78.1 Ų | 78.1 | 58% | 0.575 | 41% | 0.407 | S | S | * | . | trans | -74 | 19.3 | 175 | -82.9 | -177.4 | -8.6 | 0 | 0 | 113.1 | K831 K871 | K831-Q875 VanDerWaalsContact CE-O 3.26Å; K831-Q875 WeakPolarHBondContact CE-O 3.33Å; K831-Q875 PolarHBondContact NZ-O 2.56Å; K871-Q875 PolarHBondContact O-N 2.94Å | ||
| 876 | A | 45.8 | Very low | 81.5 | Confident | 139 Ų | 139 | 85.2 Ų | 85.2 | 100% | 1.149 | 44% | 0.444 | S | S | * | . | trans | -72.7 | 0 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S874 | S874-A876 PolarHBondContact O-N 3.1Š|
Retrieved 876 of 876 residues in 1305 ms
(Link to these results)