| 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 | 63.1 | Low | 87.4 | Confident | 189 Ų | 189 | 65.3 Ų | 65.3 | 93% | 0.931 | 35% | 0.35 | S | S | * | . | 0 | 124.5 | 0 | -166 | -178.1 | -72.7 | 0 | 0 | 106.9 | R5 K6 | M1-R5 HydrophobicContact CG-CB 3.71Å; M1-K6 HydrophobicContact SD-CB 4.16Å | |||
| 2 | S | 80.6 | Confident | 87.8 | Confident | 41 Ų | 41 | 59.8 Ų | 59.8 | 29% | 0.287 | 32% | 0.321 | S | S | . | . | trans | -66.4 | 162.1 | 175.8 | 62.4 | 0 | 0 | 0 | 0 | 110.6 | A4 R5 K6 E226 | S2-A4 VanDerWaalsContact C-N 3.35Å; S2-A4 PolarHBondContact O-N 3.18Å; S2-R5 PolarHBondContact O-N 3.46Å; S2-R5 WeakPolarHBondContact OG-CB 3.03Å; S2-R5 WeakPolarHBondContact OG-CD 3.39Å; S2-R5 VanDerWaalsContact OG-CG 3.22Å; S2-R5 WeakPolarHBondContact OG-CG 3.14Å; S2-R5 PolarHBondContact OG-N 2.93Å; S2-K6 PolarHBondContact O-N 3.04Å; S2-E226 WeakPolarHBondContact CB-OE1 3.22Å; S2-E226 PolarHBondContact OG-OE1 2.94Å; S2-E226 PolarHBondContact OG-OE2 3.14Å | ||
| 3 | A | 86.7 | Confident | 88.1 | Confident | 74 Ų | 74 | 57.7 Ų | 57.7 | 61% | 0.612 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -58.9 | -45.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R5 K6 E7 | A3-R5 VanDerWaalsContact C-N 3.32Å; A3-R5 PolarHBondContact O-N 3.47Å; A3-K6 PolarHBondContact O-N 2.87Å; A3-K6 VanDerWaalsContact O-N 3.11Å; A3-E7 PolarHBondContact O-N 3.18Å |
| 4 | A | 86.5 | Confident | 88.4 | Confident | 13 Ų | 13 | 61.1 Ų | 61.1 | 11% | 0.107 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.8 | -37.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | S2 E7 L8 V229 | S2-A4 VanDerWaalsContact C-N 3.35Å; S2-A4 PolarHBondContact O-N 3.18Å; A4-E7 PolarHBondContact O-N 3.22Å; A4-L8 WeakPolarHBondContact O-CB 3.36Å; A4-L8 PolarHBondContact O-N 3.36Å; A4-V229 HydrophobicContact CB-CG1 3.98Å |
| 5 | R | 90.6 | Very high | 88.7 | Confident | 34 Ų | 34 | 57.1 Ų | 57.1 | 13% | 0.128 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 175.1 | -75.2 | 172.7 | 177.2 | -112.4 | 18.9 | 112.5 | M1 S2 A3 A9 L220 G221 V222 L224 E226 V229 | M1-R5 HydrophobicContact CG-CB 3.71Å; S2-R5 PolarHBondContact O-N 3.46Å; S2-R5 WeakPolarHBondContact OG-CB 3.03Å; S2-R5 WeakPolarHBondContact OG-CD 3.39Å; S2-R5 VanDerWaalsContact OG-CG 3.22Å; S2-R5 WeakPolarHBondContact OG-CG 3.14Å; S2-R5 PolarHBondContact OG-N 2.93Å; A3-R5 VanDerWaalsContact C-N 3.32Å; A3-R5 PolarHBondContact O-N 3.47Å; R5-A9 WeakPolarHBondContact O-CB 3.41Å; R5-A9 PolarHBondContact O-N 3.24Å; R5-L220 HydrophobicContact CB-CD1 3.9Å; R5-L220 HydrophobicContact CG-CD1 4.26Å; R5-L220 WeakPolarHBondContact O-CD1 3.16Å; R5-G221 PolarHBondContact NH1-O 2.96Å; R5-V222 PolarHBondContact NH2-O 2.93Å; R5-L224 PolarHBondContact NH2-O 3.38Å; R5-E226 IonicContact NE-OE2 3.76Å; R5-E226 PolarHBondContact NE-OE2 3.03Å; R5-V229 HydrophobicContact CB-CG1 4.36Å; R5-V229 HydrophobicContact CG-CB 4.31Å; R5-V229 HydrophobicContact CG-CG1 3.67Å; R5-V229 HydrophobicContact CG-CG2 3.7Å |
| 6 | K | 89.9 | Confident | 88.9 | Confident | 119 Ų | 119 | 53.6 Ų | 53.6 | 52% | 0.517 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.8 | -45.7 | 176.1 | -176.6 | 179.8 | 169.2 | -176.1 | 0 | 110.8 | M1 S2 A3 L8 A9 E10 | M1-K6 HydrophobicContact SD-CB 4.16Å; S2-K6 PolarHBondContact O-N 3.04Å; A3-K6 PolarHBondContact O-N 2.87Å; A3-K6 VanDerWaalsContact O-N 3.11Å; K6-L8 PolarHBondContact O-N 2.89Å; K6-A9 PolarHBondContact O-N 3.12Å; K6-E10 WeakPolarHBondContact CE-OE1 3.48Å; K6-E10 IonicContact NZ-OE1 3.28Å; K6-E10 WeakPolarHBondContact O-CG 3.3Å; K6-E10 PolarHBondContact O-N 3.46Å |
| 7 | E | 93 | Very high | 89 | Confident | 105 Ų | 105 | 53.2 Ų | 53.2 | 49% | 0.491 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 177 | -71.9 | 177 | -157.7 | 0 | 0 | 112.2 | A3 A4 E10 A11 L233 | A3-E7 PolarHBondContact O-N 3.18Å; A4-E7 PolarHBondContact O-N 3.22Å; E7-E10 PolarHBondContact O-N 3.41Å; E7-A11 VanDerWaalsContact O-CB 3.29Å; E7-A11 WeakPolarHBondContact O-CB 3.48Å; E7-A11 PolarHBondContact O-N 3.47Å; E7-L233 HydrophobicContact CB-CD1 4.16Å; E7-L233 HydrophobicContact CB-CD2 3.9Å |
| 8 | L | 93.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 174.4 | 174.6 | 58.4 | 0 | 0 | 0 | 111.7 | A4 K6 E10 A11 L12 L220 V229 M232 L233 I236 F554 | A4-L8 WeakPolarHBondContact O-CB 3.36Å; A4-L8 PolarHBondContact O-N 3.36Å; K6-L8 PolarHBondContact O-N 2.89Å; L8-E10 VanDerWaalsContact C-N 3.34Å; L8-E10 PolarHBondContact O-N 2.84Å; L8-A11 PolarHBondContact O-N 2.88Å; L8-L12 VanDerWaalsContact O-CB 3.22Å; L8-L12 WeakPolarHBondContact O-CB 3.35Å; L8-L12 PolarHBondContact O-N 2.98Å; L8-L220 HydrophobicContact CB-CD1 4.31Å; L8-L220 HydrophobicContact CD2-CD1 4.09Å; L8-L220 HydrophobicContact CD2-CD2 3.73Å; L8-L220 HydrophobicContact CG-CD1 4.26Å; L8-L220 HydrophobicContact CG-CD2 4.15Å; L8-V229 HydrophobicContact CB-CG1 4.36Å; L8-V229 HydrophobicContact CD2-CB 4.46Å; L8-V229 HydrophobicContact CD2-CG1 3.96Å; L8-M232 HydrophobicContact CD1-CB 3.84Å; L8-M232 HydrophobicContact CD2-CB 3.83Å; L8-M232 HydrophobicContact CD2-CE 4.35Å; L8-M232 HydrophobicContact CD2-SD 4.36Å; L8-L233 HydrophobicContact CB-CB 4.31Å; L8-L233 HydrophobicContact CB-CD1 4.5Å; L8-L233 HydrophobicContact CD1-CB 4.37Å; L8-I236 HydrophobicContact CD1-CG2 4.2Å; L8-F554 HydrophobicContact CD1-CZ 4.4Å |
| 9 | A | 91.1 | Very high | 89.4 | Confident | 23 Ų | 23 | 50.9 Ų | 50.9 | 19% | 0.19 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R5 K6 S13 V218 L220 | R5-A9 WeakPolarHBondContact O-CB 3.41Å; R5-A9 PolarHBondContact O-N 3.24Å; K6-A9 PolarHBondContact O-N 3.12Å; A9-S13 WeakPolarHBondContact O-CB 3.26Å; A9-S13 PolarHBondContact O-N 3.35Å; A9-V218 HydrophobicContact CB-CB 4.36Å; A9-V218 HydrophobicContact CB-CG1 4.17Å; A9-L220 HydrophobicContact CB-CD1 4.24Å |
| 10 | E | 91.9 | Very high | 89.3 | Confident | 112 Ų | 112 | 49 Ų | 49 | 52% | 0.523 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 176.8 | -71.5 | 175.7 | -175 | 0 | 0 | 112 | K6 E7 L8 R14 | K6-E10 WeakPolarHBondContact CE-OE1 3.48Å; K6-E10 IonicContact NZ-OE1 3.28Å; K6-E10 WeakPolarHBondContact O-CG 3.3Å; K6-E10 PolarHBondContact O-N 3.46Å; E7-E10 PolarHBondContact O-N 3.41Å; L8-E10 VanDerWaalsContact C-N 3.34Å; L8-E10 PolarHBondContact O-N 2.84Å; E10-R14 VanDerWaalsContact O-CB 3.3Å; E10-R14 WeakPolarHBondContact O-CB 3.25Å; E10-R14 PolarHBondContact O-N 3.23Å |
| 11 | A | 94.2 | Very high | 89.4 | Confident | 8 Ų | 8 | 48.8 Ų | 48.8 | 7% | 0.066 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E7 L8 Y15 L233 I236 | E7-A11 VanDerWaalsContact O-CB 3.29Å; E7-A11 WeakPolarHBondContact O-CB 3.48Å; E7-A11 PolarHBondContact O-N 3.47Å; L8-A11 PolarHBondContact O-N 2.88Å; A11-Y15 WeakPolarHBondContact O-CB 3.39Å; A11-Y15 PolarHBondContact O-N 3Å; A11-L233 HydrophobicContact CB-CD1 4.18Å; A11-I236 HydrophobicContact CB-CG2 3.66Å |
| 12 | L | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.4 | -45.5 | 177.1 | -178.3 | 57.6 | 0 | 0 | 0 | 111.6 | L8 R14 Y15 V16 V129 V218 I236 F554 | L8-L12 VanDerWaalsContact O-CB 3.22Å; L8-L12 WeakPolarHBondContact O-CB 3.35Å; L8-L12 PolarHBondContact O-N 2.98Å; L12-R14 VanDerWaalsContact C-N 3.32Å; L12-R14 PolarHBondContact O-N 2.87Å; L12-Y15 PolarHBondContact O-N 3.42Å; L12-V16 HydrophobicContact CD1-CG2 4.18Å; L12-V16 WeakPolarHBondContact O-CG2 3.14Å; L12-V16 PolarHBondContact O-N 2.92Å; L12-V129 HydrophobicContact CD1-CG1 3.67Å; L12-V218 HydrophobicContact CB-CG2 4.27Å; L12-V218 HydrophobicContact CD2-CG1 3.85Å; L12-V218 HydrophobicContact CD2-CG2 4.11Å; L12-V218 HydrophobicContact CG-CG2 4.05Å; L12-I236 HydrophobicContact CD1-CD1 4.03Å; L12-I236 HydrophobicContact CD1-CG1 4.47Å; L12-F554 HydrophobicContact CD1-CE1 3.86Å; L12-F554 HydrophobicContact CD1-CZ 4.05Å; L12-F554 HydrophobicContact CD2-CE1 4.09Å |
| 13 | S | 91 | Very high | 91.2 | Very high | 32 Ų | 32 | 38.4 Ų | 38.4 | 22% | 0.224 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.5 | -43.2 | 176.6 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | A9 V16 S17 | A9-S13 WeakPolarHBondContact O-CB 3.26Å; A9-S13 PolarHBondContact O-N 3.35Å; S13-V16 PolarHBondContact O-N 3.24Å; S13-S17 VanDerWaalsContact O-CB 3.29Å; S13-S17 WeakPolarHBondContact O-CB 2.84Å; S13-S17 PolarHBondContact O-N 3.03Å; S13-S17 PolarHBondContact O-OG 3.34Å |
| 14 | R | 92.2 | Very high | 91.3 | Very high | 106 Ų | 106 | 39 Ų | 39 | 40% | 0.4 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.2 | -49.5 | 174.5 | 175.4 | 172.8 | 53.2 | 135.1 | 1.1 | 112 | E10 L12 V16 S17 E18 H240 | E10-R14 VanDerWaalsContact O-CB 3.3Å; E10-R14 WeakPolarHBondContact O-CB 3.25Å; E10-R14 PolarHBondContact O-N 3.23Å; L12-R14 VanDerWaalsContact C-N 3.32Å; L12-R14 PolarHBondContact O-N 2.87Å; R14-V16 VanDerWaalsContact C-N 3.3Å; R14-V16 PolarHBondContact O-N 3.07Å; R14-S17 PolarHBondContact O-N 3.48Å; R14-E18 HydrophobicContact CG-CG 4.33Å; R14-E18 WeakPolarHBondContact O-CB 3.36Å; R14-E18 VanDerWaalsContact O-CG 3.27Å; R14-E18 WeakPolarHBondContact O-CG 3.22Å; R14-E18 PolarHBondContact O-N 3.06Å; R14-H240 PolarHBondContact NH1-NE2 3.16Å |
| 15 | Y | 94.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.7 | -44.7 | -179.5 | -175 | -91.4 | 0 | 0 | 0 | 111.9 | A11 L12 T19 T125 S126 V129 F130 I236 L239 H240 R243 | A11-Y15 WeakPolarHBondContact O-CB 3.39Å; A11-Y15 PolarHBondContact O-N 3Å; L12-Y15 PolarHBondContact O-N 3.42Å; Y15-T19 PolarHBondContact O-N 3.22Å; Y15-T19 VanDerWaalsContact O-N 3.08Å; Y15-T19 PolarHBondContact O-OG1 3.41Å; Y15-T125 HydrophobicContact CE1-CG2 4.1Å; Y15-S126 PolarHBondContact OH-N 3.13Å; Y15-S126 VanDerWaalsContact OH-N 3.09Å; Y15-V129 HydrophobicContact CD1-CG1 4.03Å; Y15-V129 HydrophobicContact CD1-CG2 4.45Å; Y15-V129 HydrophobicContact CE1-CB 4.22Å; Y15-V129 HydrophobicContact CE1-CG1 4.15Å; Y15-V129 HydrophobicContact CE1-CG2 3.99Å; Y15-F130 HydrophobicContact CE1-CE2 4.29Å; Y15-I236 HydrophobicContact CD1-CD1 3.8Å; Y15-I236 HydrophobicContact CD2-CD1 3.94Å; Y15-I236 HydrophobicContact CE1-CD1 4.36Å; Y15-I236 HydrophobicContact CG-CD1 3.55Å; Y15-I236 HydrophobicContact CG-CG1 4.29Å; Y15-L239 HydrophobicContact CE2-CB 3.79Å; Y15-H240 HydrophobicContact CD2-CB 4.4Å; Y15-R243 PolarHBondContact O-NH1 3Å |
| 16 | V | 91.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66 | -48.4 | 177.7 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | L12 S13 R14 E18 T19 L20 V129 F130 L136 L138 A216 | L12-V16 HydrophobicContact CD1-CG2 4.18Å; L12-V16 WeakPolarHBondContact O-CG2 3.14Å; L12-V16 PolarHBondContact O-N 2.92Å; S13-V16 PolarHBondContact O-N 3.24Å; R14-V16 VanDerWaalsContact C-N 3.3Å; R14-V16 PolarHBondContact O-N 3.07Å; V16-E18 VanDerWaalsContact C-N 3.32Å; V16-E18 PolarHBondContact O-N 3.2Å; V16-T19 WeakPolarHBondContact O-CA 3.4Å; V16-T19 WeakPolarHBondContact O-CB 3.28Å; V16-T19 PolarHBondContact O-N 2.72Å; V16-L20 HydrophobicContact CG1-CD1 4.03Å; V16-L20 HydrophobicContact CG1-CG 4.34Å; V16-L20 WeakPolarHBondContact O-CG 3.46Å; V16-L20 PolarHBondContact O-N 3.46Å; V16-V129 HydrophobicContact CG2-CG1 4.37Å; V16-F130 HydrophobicContact CB-CE1 4.46Å; V16-F130 HydrophobicContact CG1-CE1 4.09Å; V16-F130 HydrophobicContact CG2-CE1 4Å; V16-F130 HydrophobicContact CG2-CZ 4.11Å; V16-L136 HydrophobicContact CG1-CD1 4.44Å; V16-L136 HydrophobicContact CG2-CD1 3.88Å; V16-L136 HydrophobicContact CG2-CD2 3.72Å; V16-L136 HydrophobicContact CG2-CG 4.47Å; V16-L138 HydrophobicContact CG1-CD2 3.58Å; V16-A216 HydrophobicContact CB-CB 4.21Å; V16-A216 HydrophobicContact CG1-CB 3.53Å |
| 17 | S | 89.8 | Confident | 91.4 | Very high | 47 Ų | 47 | 35.5 Ų | 35.5 | 33% | 0.329 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.2 | -41.9 | -180 | -59 | 0 | 0 | 0 | 0 | 112 | S13 R14 T19 L20 A21 | S13-S17 VanDerWaalsContact O-CB 3.29Å; S13-S17 WeakPolarHBondContact O-CB 2.84Å; S13-S17 PolarHBondContact O-N 3.03Å; S13-S17 PolarHBondContact O-OG 3.34Å; R14-S17 PolarHBondContact O-N 3.48Å; S17-T19 VanDerWaalsContact C-N 3.31Å; S17-T19 PolarHBondContact O-N 2.72Å; S17-L20 PolarHBondContact O-N 2.97Å; S17-A21 WeakPolarHBondContact O-CB 3.35Å; S17-A21 PolarHBondContact O-N 3.34Å |
| 18 | E | 92.3 | Very high | 91.1 | Very high | 64 Ų | 64 | 35.1 Ų | 35.1 | 30% | 0.299 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.3 | -33.3 | 175.6 | -69.8 | 168.5 | 147.5 | 0 | 0 | 112 | R14 V16 C22 H240 R243 | R14-E18 HydrophobicContact CG-CG 4.33Å; R14-E18 WeakPolarHBondContact O-CB 3.36Å; R14-E18 VanDerWaalsContact O-CG 3.27Å; R14-E18 WeakPolarHBondContact O-CG 3.22Å; R14-E18 PolarHBondContact O-N 3.06Å; V16-E18 VanDerWaalsContact C-N 3.32Å; V16-E18 PolarHBondContact O-N 3.2Å; E18-C22 PolarHBondContact O-N 3.08Å; E18-C22 VanDerWaalsContact O-N 3.09Å; E18-C22 PolarHBondContact O-SG 3.47Å; E18-H240 IonicContact OE1-CE1 3.83Å; E18-H240 IonicContact OE2-CE1 3.7Å; E18-H240 PolarHBondContact OE2-CE1 2.83Å; E18-H240 IonicContact OE2-ND1 3.46Å; E18-H240 PolarHBondContact OE2-ND1 3.5Å; E18-R243 IonicContact OE2-CZ 3.1Å; E18-R243 IonicContact OE2-NH2 3.1Å; E18-R243 PolarHBondContact OE2-NH2 3.19Å |
| 19 | T | 92.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.6 | -48 | 175.4 | -57.4 | 0 | 0 | 0 | 0 | 110.6 | Y15 V16 S17 A21 C22 M23 L122 T125 F130 V147 R243 | Y15-T19 PolarHBondContact O-N 3.22Å; Y15-T19 VanDerWaalsContact O-N 3.08Å; Y15-T19 PolarHBondContact O-OG1 3.41Å; V16-T19 WeakPolarHBondContact O-CA 3.4Å; V16-T19 WeakPolarHBondContact O-CB 3.28Å; V16-T19 PolarHBondContact O-N 2.72Å; S17-T19 VanDerWaalsContact C-N 3.31Å; S17-T19 PolarHBondContact O-N 2.72Å; T19-A21 VanDerWaalsContact C-N 3.32Å; T19-A21 PolarHBondContact O-N 3.47Å; T19-C22 WeakPolarHBondContact O-CB 3.17Å; T19-C22 PolarHBondContact O-N 2.77Å; T19-C22 VanDerWaalsContact O-N 3.12Å; T19-M23 WeakPolarHBondContact O-CG 3.35Å; T19-M23 PolarHBondContact O-N 2.71Å; T19-L122 HydrophobicContact CG2-CD2 4.01Å; T19-T125 HydrophobicContact CG2-CG2 3.94Å; T19-F130 HydrophobicContact CG2-CE2 3.98Å; T19-F130 HydrophobicContact CG2-CZ 3.74Å; T19-V147 HydrophobicContact CG2-CG1 4.15Å; T19-R243 PolarHBondContact OG1-NH1 3.38Å; T19-R243 VanDerWaalsContact OG1-NH1 3.14Å |
| 20 | L | 89.1 | Confident | 91 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 6% | 0.058 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.2 | -40.5 | 176.3 | -67.3 | 178.5 | 0 | 0 | 0 | 111.5 | V16 S17 C22 M23 Q24 P139 V142 V147 L212 | V16-L20 HydrophobicContact CG1-CD1 4.03Å; V16-L20 HydrophobicContact CG1-CG 4.34Å; V16-L20 WeakPolarHBondContact O-CG 3.46Å; V16-L20 PolarHBondContact O-N 3.46Å; S17-L20 PolarHBondContact O-N 2.97Å; L20-C22 VanDerWaalsContact C-N 3.32Å; L20-C22 PolarHBondContact O-N 3.26Å; L20-M23 HydrophobicContact CD2-SD 3.98Å; L20-M23 WeakPolarHBondContact O-CB 3.25Å; L20-M23 PolarHBondContact O-N 2.99Å; L20-M23 VanDerWaalsContact O-N 3.14Å; L20-Q24 PolarHBondContact O-N 3.23Å; L20-P139 HydrophobicContact CD1-CG 3.6Å; L20-V142 HydrophobicContact CD2-CG1 4.31Å; L20-V147 HydrophobicContact CD2-CG2 4.29Å; L20-L212 HydrophobicContact CB-CD2 3.69Å; L20-L212 HydrophobicContact CD2-CD2 4.1Å; L20-L212 HydrophobicContact CD2-CG 4.46Å; L20-L212 HydrophobicContact CG-CD2 4.43Å; L20-L212 WeakPolarHBondContact O-CD2 3.42Å |
| 21 | A | 90.5 | Very high | 90.9 | Very high | 46 Ų | 46 | 33 Ų | 33 | 38% | 0.38 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.5 | -40.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S17 T19 Q24 L25 | S17-A21 WeakPolarHBondContact O-CB 3.35Å; S17-A21 PolarHBondContact O-N 3.34Å; T19-A21 VanDerWaalsContact C-N 3.32Å; T19-A21 PolarHBondContact O-N 3.47Å; A21-Q24 PolarHBondContact O-N 3.3Å; A21-L25 WeakPolarHBondContact O-CG 3.37Å; A21-L25 PolarHBondContact O-N 3.12Å |
| 22 | C | 92.6 | Very high | 90.7 | Very high | 11 Ų | 11 | 36.9 Ų | 36.9 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.2 | -41 | 174 | -65.2 | 0 | 0 | 0 | 0 | 111.6 | E18 T19 L20 Q24 L25 A26 A118 L122 | E18-C22 PolarHBondContact O-N 3.08Å; E18-C22 VanDerWaalsContact O-N 3.09Å; E18-C22 PolarHBondContact O-SG 3.47Å; T19-C22 WeakPolarHBondContact O-CB 3.17Å; T19-C22 PolarHBondContact O-N 2.77Å; T19-C22 VanDerWaalsContact O-N 3.12Å; L20-C22 VanDerWaalsContact C-N 3.32Å; L20-C22 PolarHBondContact O-N 3.26Å; C22-Q24 VanDerWaalsContact C-N 3.34Å; C22-L25 PolarHBondContact O-N 2.91Å; C22-A26 WeakPolarHBondContact O-CB 3.33Å; C22-A26 PolarHBondContact O-N 3.21Å; C22-A118 HydrophobicContact CB-CB 3.96Å; C22-L122 HydrophobicContact CB-CD1 4.1Å; C22-L122 HydrophobicContact CB-CD2 3.95Å; C22-L122 HydrophobicContact CB-CG 3.75Å |
| 23 | M | 89.7 | Confident | 90.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.2 | -41.4 | 175 | -64.4 | 174.1 | 49 | 0 | 0 | 111.9 | T19 L20 A26 S27 L122 L146 V147 V150 L212 | T19-M23 WeakPolarHBondContact O-CG 3.35Å; T19-M23 PolarHBondContact O-N 2.71Å; L20-M23 HydrophobicContact CD2-SD 3.98Å; L20-M23 WeakPolarHBondContact O-CB 3.25Å; L20-M23 PolarHBondContact O-N 2.99Å; L20-M23 VanDerWaalsContact O-N 3.14Å; M23-A26 WeakPolarHBondContact O-CB 3.14Å; M23-A26 PolarHBondContact O-N 3.36Å; M23-S27 WeakPolarHBondContact O-CB 3.35Å; M23-S27 PolarHBondContact O-N 3.24Å; M23-L122 HydrophobicContact CG-CD1 4.46Å; M23-L122 HydrophobicContact CG-CD2 3.71Å; M23-L146 HydrophobicContact CE-CG 4.31Å; M23-V147 HydrophobicContact CE-CG2 4.16Å; M23-V147 HydrophobicContact SD-CB 4.21Å; M23-V147 HydrophobicContact SD-CG1 3.95Å; M23-V147 HydrophobicContact SD-CG2 3.9Å; M23-V150 HydrophobicContact CE-CB 4.39Å; M23-V150 HydrophobicContact CE-CG2 3.9Å; M23-V150 HydrophobicContact CG-CB 4.48Å; M23-V150 HydrophobicContact CG-CG1 3.95Å; M23-L212 HydrophobicContact CB-CD2 4.4Å |
| 24 | Q | 87.2 | Confident | 90.6 | Very high | 86 Ų | 86 | 40.2 Ų | 40.2 | 40% | 0.402 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.8 | -50.1 | 177.6 | -176.6 | 174.7 | -10.5 | 0 | 0 | 111.3 | L20 A21 C22 A26 S27 E28 L212 | L20-Q24 PolarHBondContact O-N 3.23Å; A21-Q24 PolarHBondContact O-N 3.3Å; C22-Q24 VanDerWaalsContact C-N 3.34Å; Q24-A26 PolarHBondContact O-N 3.03Å; Q24-S27 PolarHBondContact O-N 3.33Å; Q24-S27 VanDerWaalsContact O-N 3.12Å; Q24-E28 HydrophobicContact CG-CG 4.27Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.01Å; Q24-E28 PolarHBondContact NE2-OE1 3.44Å; Q24-E28 WeakPolarHBondContact O-CB 2.77Å; Q24-E28 WeakPolarHBondContact O-CG 2.94Å; Q24-E28 PolarHBondContact O-N 2.93Å; Q24-L212 HydrophobicContact CB-CD2 4.07Å |
| 25 | L | 90.9 | Very high | 90.7 | Very high | 83 Ų | 83 | 41.6 Ų | 41.6 | 44% | 0.435 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56.2 | -42.3 | 175.8 | -74.6 | 171.8 | 0 | 0 | 0 | 111.4 | A21 C22 F29 A118 | A21-L25 WeakPolarHBondContact O-CG 3.37Å; A21-L25 PolarHBondContact O-N 3.12Å; C22-L25 PolarHBondContact O-N 2.91Å; L25-F29 WeakPolarHBondContact O-CB 3.12Å; L25-F29 PolarHBondContact O-N 2.93Å; L25-A118 HydrophobicContact CB-CB 4.22Å |
| 26 | A | 90.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.9 | -48.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | C22 M23 Q24 C30 F115 L122 M200 F205 | C22-A26 WeakPolarHBondContact O-CB 3.33Å; C22-A26 PolarHBondContact O-N 3.21Å; M23-A26 WeakPolarHBondContact O-CB 3.14Å; M23-A26 PolarHBondContact O-N 3.36Å; Q24-A26 PolarHBondContact O-N 3.03Å; A26-C30 PolarHBondContact O-N 3.49Å; A26-C30 VanDerWaalsContact O-N 3.08Å; A26-C30 PolarHBondContact O-SG 2.88Å; A26-F115 HydrophobicContact CB-CD2 4.36Å; A26-F115 HydrophobicContact CB-CE2 4.13Å; A26-L122 HydrophobicContact CB-CD1 4.33Å; A26-M200 HydrophobicContact CB-CE 3.51Å; A26-F205 HydrophobicContact CB-CE2 4.11Å; A26-F205 HydrophobicContact CB-CZ 3.75Å |
| 27 | S | 87.1 | Confident | 90.7 | Very high | 10 Ų | 10 | 42.9 Ų | 42.9 | 7% | 0.07 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.4 | -43.5 | 178.5 | -176.3 | 0 | 0 | 0 | 0 | 112.4 | M23 Q24 C30 A31 | M23-S27 WeakPolarHBondContact O-CB 3.35Å; M23-S27 PolarHBondContact O-N 3.24Å; Q24-S27 PolarHBondContact O-N 3.33Å; Q24-S27 VanDerWaalsContact O-N 3.12Å; S27-C30 PolarHBondContact O-N 3.08Å; S27-A31 WeakPolarHBondContact O-CB 3.06Å; S27-A31 PolarHBondContact O-N 3.45Å |
| 28 | E | 88.6 | Confident | 90.8 | Very high | 98 Ų | 98 | 45.7 Ų | 45.7 | 46% | 0.458 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 179.7 | -75.6 | 177.2 | -174 | 0 | 0 | 111.1 | Q24 A31 M32 | Q24-E28 HydrophobicContact CG-CG 4.27Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.01Å; Q24-E28 PolarHBondContact NE2-OE1 3.44Å; Q24-E28 WeakPolarHBondContact O-CB 2.77Å; Q24-E28 WeakPolarHBondContact O-CG 2.94Å; Q24-E28 PolarHBondContact O-N 2.93Å; E28-A31 PolarHBondContact O-N 3.05Å; E28-M32 WeakPolarHBondContact O-CG 2.99Å; E28-M32 PolarHBondContact O-N 2.92Å; E28-M32 VanDerWaalsContact O-N 3.12Å |
| 29 | F | 91.7 | Very high | 90.9 | Very high | 9 Ų | 9 | 49.7 Ų | 49.7 | 4% | 0.039 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63 | -45.6 | 176.2 | -173.5 | -93.9 | 0 | 0 | 0 | 111.7 | L25 A31 M32 F33 W36 L112 F115 | L25-F29 WeakPolarHBondContact O-CB 3.12Å; L25-F29 PolarHBondContact O-N 2.93Å; F29-A31 VanDerWaalsContact C-N 3.3Å; F29-A31 PolarHBondContact O-N 3.33Å; F29-M32 CarbonylContact O-C 3.38Å; F29-M32 VanDerWaalsContact O-CG 3.31Å; F29-M32 WeakPolarHBondContact O-CG 3.02Å; F29-M32 PolarHBondContact O-N 3.37Å; F29-F33 AromaticContact CE1-CD2 3.7Å; F29-F33 HydrophobicContact CE1-CD2 3.7Å; F29-F33 HydrophobicContact CE1-CE2 4.37Å; F29-F33 HydrophobicContact CZ-CD2 4.2Å; F29-F33 WeakPolarHBondContact O-CA 3.47Å; F29-F33 WeakPolarHBondContact O-CB 3.06Å; F29-F33 PolarHBondContact O-N 3.15Å; F29-W36 HydrophobicContact CE2-CG 4.24Å; F29-W36 HydrophobicContact CZ-CD2 4.02Å; F29-W36 HydrophobicContact CZ-CE3 4.47Å; F29-W36 HydrophobicContact CZ-CG 4.1Å; F29-L112 HydrophobicContact CE1-CD1 3.63Å; F29-L112 HydrophobicContact CE2-CB 4.29Å; F29-L112 HydrophobicContact CE2-CD1 4.3Å; F29-L112 HydrophobicContact CZ-CB 4.09Å; F29-L112 HydrophobicContact CZ-CD1 3.42Å; F29-L112 VanDerWaalsContact CZ-CD1 3.42Å; F29-L112 HydrophobicContact CZ-CG 4.36Å; F29-F115 HydrophobicContact CB-CB 3.85Å; F29-F115 HydrophobicContact CB-CD2 3.55Å; F29-F115 HydrophobicContact CB-CE2 4.34Å; F29-F115 HydrophobicContact CB-CG 3.89Å; F29-F115 HydrophobicContact CD1-CB 3.81Å; F29-F115 AromaticContact CD1-CD1 3.66Å; F29-F115 HydrophobicContact CD1-CD1 3.66Å; F29-F115 AromaticContact CD1-CD2 3.6Å; F29-F115 HydrophobicContact CD1-CD2 3.6Å; F29-F115 HydrophobicContact CD1-CE1 4.06Å; F29-F115 HydrophobicContact CD1-CE2 4.04Å; F29-F115 AromaticContact CD1-CG 3.39Å; F29-F115 HydrophobicContact CD1-CG 3.39Å; F29-F115 HydrophobicContact CD1-CZ 4.24Å; F29-F115 HydrophobicContact CD2-CB 3.9Å; F29-F115 HydrophobicContact CD2-CG 4.4Å; F29-F115 HydrophobicContact CE1-CB 4.37Å; F29-F115 AromaticContact CE1-CD1 3.86Å; F29-F115 HydrophobicContact CE1-CD1 3.86Å; F29-F115 HydrophobicContact CE1-CE1 4.27Å; F29-F115 HydrophobicContact CE1-CG 4.02Å; F29-F115 HydrophobicContact CE2-CB 4.46Å; F29-F115 HydrophobicContact CG-CB 3.55Å; F29-F115 HydrophobicContact CG-CD1 4.31Å; F29-F115 AromaticContact CG-CD2 3.77Å; F29-F115 HydrophobicContact CG-CD2 3.77Å; F29-F115 AromaticContact CG-CG 3.62Å; F29-F115 HydrophobicContact CG-CG 3.62Å |
| 30 | C | 90.2 | Very high | 91 | Very high | 6 Ų | 6 | 50.4 Ų | 50.4 | 4% | 0.041 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.6 | -42 | 176.6 | -67.8 | 0 | 0 | 0 | 0 | 111.5 | A26 S27 M32 F33 F205 | A26-C30 PolarHBondContact O-N 3.49Å; A26-C30 VanDerWaalsContact O-N 3.08Å; A26-C30 PolarHBondContact O-SG 2.88Å; S27-C30 PolarHBondContact O-N 3.08Å; C30-M32 VanDerWaalsContact C-N 3.34Å; C30-M32 PolarHBondContact O-N 3.44Å; C30-F33 WeakPolarHBondContact O-CB 3.49Å; C30-F33 PolarHBondContact O-N 2.92Å; C30-F33 VanDerWaalsContact O-N 3.15Å; C30-F205 HydrophobicContact CB-CD2 4.34Å |
| 31 | A | 88.5 | Confident | 91.1 | Very high | 75 Ų | 75 | 53.3 Ų | 53.3 | 62% | 0.62 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.7 | -36.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S27 E28 F29 | S27-A31 WeakPolarHBondContact O-CB 3.06Å; S27-A31 PolarHBondContact O-N 3.45Å; E28-A31 PolarHBondContact O-N 3.05Å; F29-A31 VanDerWaalsContact C-N 3.3Å; F29-A31 PolarHBondContact O-N 3.33Å |
| 32 | M | 90.1 | Very high | 91.2 | Very high | 89 Ų | 89 | 54 Ų | 54 | 44% | 0.438 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -90.2 | 2.1 | 176.8 | 70.3 | -172.6 | -68 | 0 | 0 | 113.8 | E28 F29 C30 S34 K35 W36 | E28-M32 WeakPolarHBondContact O-CG 2.99Å; E28-M32 PolarHBondContact O-N 2.92Å; E28-M32 VanDerWaalsContact O-N 3.12Å; F29-M32 CarbonylContact O-C 3.38Å; F29-M32 VanDerWaalsContact O-CG 3.31Å; F29-M32 WeakPolarHBondContact O-CG 3.02Å; F29-M32 PolarHBondContact O-N 3.37Å; C30-M32 VanDerWaalsContact C-N 3.34Å; C30-M32 PolarHBondContact O-N 3.44Å; M32-S34 PolarHBondContact O-N 2.99Å; M32-K35 PolarHBondContact O-N 3.07Å; M32-W36 PolarHBondContact O-N 2.83Å |
| 33 | F | 91.8 | Very high | 91.2 | Very high | 11 Ų | 11 | 54 Ų | 54 | 5% | 0.048 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.5 | -39.7 | -169.5 | 178.5 | -112.8 | 0 | 0 | 0 | 113.1 | F29 C30 K35 W36 M37 A193 K194 C197 | F29-F33 AromaticContact CE1-CD2 3.7Å; F29-F33 HydrophobicContact CE1-CD2 3.7Å; F29-F33 HydrophobicContact CE1-CE2 4.37Å; F29-F33 HydrophobicContact CZ-CD2 4.2Å; F29-F33 WeakPolarHBondContact O-CA 3.47Å; F29-F33 WeakPolarHBondContact O-CB 3.06Å; F29-F33 PolarHBondContact O-N 3.15Å; C30-F33 WeakPolarHBondContact O-CB 3.49Å; C30-F33 PolarHBondContact O-N 2.92Å; C30-F33 VanDerWaalsContact O-N 3.15Å; F33-K35 VanDerWaalsContact C-N 3.3Å; F33-K35 PolarHBondContact O-N 2.63Å; F33-W36 HydrophobicContact CD2-CE3 4.01Å; F33-W36 AromaticContact CE2-CE3 3.65Å; F33-W36 HydrophobicContact CE2-CE3 3.65Å; F33-W36 AromaticContact CE2-CZ3 3.88Å; F33-W36 HydrophobicContact CE2-CZ3 3.88Å; F33-W36 CarbonylContact O-C 3.4Å; F33-W36 WeakPolarHBondContact O-CB 3.34Å; F33-W36 PolarHBondContact O-N 3.12Å; F33-W36 VanDerWaalsContact O-N 3.13Å; F33-M37 HydrophobicContact CD1-CE 3.97Å; F33-M37 HydrophobicContact CE1-CE 3.03Å; F33-M37 HydrophobicContact CE2-CE 4.43Å; F33-M37 HydrophobicContact CZ-CB 4.47Å; F33-M37 HydrophobicContact CZ-CE 3.3Å; F33-M37 WeakPolarHBondContact O-CB 3.29Å; F33-M37 PolarHBondContact O-N 3.29Å; F33-A193 HydrophobicContact CE2-CB 3.78Å; F33-A193 HydrophobicContact CZ-CB 4.2Å; F33-K194 VanDerWaalsContact CE1-CA 3.44Å; F33-K194 HydrophobicContact CE1-CB 3.86Å; F33-K194 HydrophobicContact CE1-CG 4.08Å; F33-K194 HydrophobicContact CZ-CB 3.74Å; F33-K194 HydrophobicContact CZ-CG 4.45Å; F33-K194 VanDerWaalsContact CZ-N 3.27Å; F33-C197 HydrophobicContact CB-CB 4.38Å; F33-C197 HydrophobicContact CD1-CB 3.67Å; F33-C197 HydrophobicContact CD2-CB 4.21Å; F33-C197 WeakPolarHBondContact CD2-SG 3.32Å; F33-C197 HydrophobicContact CE1-CB 3.97Å; F33-C197 HydrophobicContact CG-CB 3.81Å; F33-C197 VanDerWaalsContact CG-SG 3.58Å; F33-C197 HydrophobicContact CZ-CB 4.42Å |
| 34 | S | 90.4 | Very high | 91.1 | Very high | 91 Ų | 91 | 55 Ų | 55 | 64% | 0.636 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -58.9 | -41.7 | 177.3 | 58.7 | 0 | 0 | 0 | 0 | 112.4 | M32 L38 | M32-S34 PolarHBondContact O-N 2.99Å; S34-L38 PolarHBondContact O-N 2.97Å; S34-L38 VanDerWaalsContact O-N 3.15Å |
| 35 | K | 93.9 | Very high | 91.1 | Very high | 135 Ų | 135 | 56 Ų | 56 | 59% | 0.587 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -66.4 | -48 | 173.8 | -175.1 | 177.8 | 179 | -177.3 | 0 | 110.1 | M32 F33 M37 L38 W39 | M32-K35 PolarHBondContact O-N 3.07Å; F33-K35 VanDerWaalsContact C-N 3.3Å; F33-K35 PolarHBondContact O-N 2.63Å; K35-M37 VanDerWaalsContact C-N 3.31Å; K35-M37 PolarHBondContact O-N 3.44Å; K35-L38 PolarHBondContact O-N 2.59Å; K35-W39 PolarHBondContact O-N 3.46Å |
| 36 | W | 94.8 | Very high | 91.1 | Very high | 10 Ų | 10 | 56.4 Ų | 56.4 | 4% | 0.038 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.8 | -45.4 | 178.3 | -178.7 | 96.1 | 0 | 0 | 0 | 111.9 | F29 M32 F33 W39 R40 G108 L109 L112 I190 A193 | F29-W36 HydrophobicContact CE2-CG 4.24Å; F29-W36 HydrophobicContact CZ-CD2 4.02Å; F29-W36 HydrophobicContact CZ-CE3 4.47Å; F29-W36 HydrophobicContact CZ-CG 4.1Å; M32-W36 PolarHBondContact O-N 2.83Å; F33-W36 HydrophobicContact CD2-CE3 4.01Å; F33-W36 AromaticContact CE2-CE3 3.65Å; F33-W36 HydrophobicContact CE2-CE3 3.65Å; F33-W36 AromaticContact CE2-CZ3 3.88Å; F33-W36 HydrophobicContact CE2-CZ3 3.88Å; F33-W36 CarbonylContact O-C 3.4Å; F33-W36 WeakPolarHBondContact O-CB 3.34Å; F33-W36 PolarHBondContact O-N 3.12Å; F33-W36 VanDerWaalsContact O-N 3.13Å; W36-W39 PolarHBondContact O-N 2.87Å; W36-R40 HydrophobicContact CD2-CG 4.05Å; W36-R40 HydrophobicContact CE3-CG 4.12Å; W36-R40 HydrophobicContact CH2-CG 3.8Å; W36-R40 HydrophobicContact CZ2-CG 3.73Å; W36-R40 HydrophobicContact CZ3-CG 4Å; W36-R40 WeakPolarHBondContact O-CG 3.48Å; W36-R40 PolarHBondContact O-N 3.41Å; W36-G108 PolarHBondContact NE1-O 3.08Å; W36-L109 HydrophobicContact CZ2-CD2 4.3Å; W36-L112 HydrophobicContact CH2-CD2 3.86Å; W36-L112 HydrophobicContact CZ2-CB 3.89Å; W36-L112 HydrophobicContact CZ2-CD2 3.81Å; W36-L112 HydrophobicContact CZ2-CG 4.32Å; W36-I190 HydrophobicContact CZ3-CG1 4.42Å; W36-A193 HydrophobicContact CH2-CB 4.35Å; W36-A193 HydrophobicContact CZ3-CB 4.12Å |
| 37 | M | 92 | Very high | 90.9 | Very high | 19 Ų | 19 | 56.4 Ų | 56.4 | 9% | 0.094 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59 | -50.8 | 177.5 | 178.2 | -175.6 | -54.5 | 0 | 0 | 111.6 | F33 K35 W39 R40 E41 I190 K194 | F33-M37 HydrophobicContact CD1-CE 3.97Å; F33-M37 HydrophobicContact CE1-CE 3.03Å; F33-M37 HydrophobicContact CE2-CE 4.43Å; F33-M37 HydrophobicContact CZ-CB 4.47Å; F33-M37 HydrophobicContact CZ-CE 3.3Å; F33-M37 WeakPolarHBondContact O-CB 3.29Å; F33-M37 PolarHBondContact O-N 3.29Å; K35-M37 VanDerWaalsContact C-N 3.31Å; K35-M37 PolarHBondContact O-N 3.44Å; M37-W39 VanDerWaalsContact C-N 3.28Å; M37-W39 PolarHBondContact O-N 3.47Å; M37-R40 PolarHBondContact O-N 3.17Å; M37-E41 HydrophobicContact CG-CG 4.29Å; M37-E41 WeakPolarHBondContact O-CG 3.08Å; M37-E41 PolarHBondContact O-N 3.41Å; M37-I190 HydrophobicContact CG-CG2 3.83Å; M37-K194 HydrophobicContact CE-CB 3.82Å; M37-K194 HydrophobicContact CE-CD 3.7Å; M37-K194 HydrophobicContact CE-CG 3.73Å; M37-K194 HydrophobicContact SD-CD 4.46Å |
| 38 | L | 92.1 | Very high | 90.7 | Very high | 106 Ų | 106 | 59.5 Ų | 59.5 | 56% | 0.555 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -57.5 | -40.8 | -179.1 | -178.5 | 66.5 | 0 | 0 | 0 | 112.4 | S34 K35 T42 | S34-L38 PolarHBondContact O-N 2.97Å; S34-L38 VanDerWaalsContact O-N 3.15Å; K35-L38 PolarHBondContact O-N 2.59Å; L38-T42 WeakPolarHBondContact O-CB 3.44Å; L38-T42 PolarHBondContact O-N 3.15Å; L38-T42 PolarHBondContact O-OG1 2.83Å |
| 39 | W | 93.5 | Very high | 90.4 | Very high | 147 Ų | 147 | 58.6 Ų | 58.6 | 56% | 0.557 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.6 | -43.9 | 175.7 | -78.6 | 101.6 | 0 | 0 | 0 | 111.9 | K35 W36 M37 T42 E43 | K35-W39 PolarHBondContact O-N 3.46Å; W36-W39 PolarHBondContact O-N 2.87Å; M37-W39 VanDerWaalsContact C-N 3.28Å; M37-W39 PolarHBondContact O-N 3.47Å; W39-T42 WeakPolarHBondContact O-CB 3.38Å; W39-T42 PolarHBondContact O-N 2.9Å; W39-E43 WeakPolarHBondContact O-CG 3.33Å; W39-E43 PolarHBondContact O-N 3.03Å |
| 40 | R | 95.9 | Very high | 90 | Very high | 16 Ų | 16 | 58.3 Ų | 58.3 | 6% | 0.06 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.6 | -36.1 | 179.1 | -62.6 | -61 | 89.1 | 82.4 | -16.2 | 112.7 | W36 M37 T42 E43 L44 D104 L186 I190 | W36-R40 HydrophobicContact CD2-CG 4.05Å; W36-R40 HydrophobicContact CE3-CG 4.12Å; W36-R40 HydrophobicContact CH2-CG 3.8Å; W36-R40 HydrophobicContact CZ2-CG 3.73Å; W36-R40 HydrophobicContact CZ3-CG 4Å; W36-R40 WeakPolarHBondContact O-CG 3.48Å; W36-R40 PolarHBondContact O-N 3.41Å; M37-R40 PolarHBondContact O-N 3.17Å; R40-T42 VanDerWaalsContact C-N 3.34Å; R40-E43 WeakPolarHBondContact CD-OE2 3.23Å; R40-E43 IonicContact CZ-OE1 3.51Å; R40-E43 IonicContact CZ-OE2 2.97Å; R40-E43 VanDerWaalsContact NE-CD 3.29Å; R40-E43 IonicContact NE-OE1 3.23Å; R40-E43 PolarHBondContact NE-OE1 2.97Å; R40-E43 IonicContact NE-OE2 2.75Å; R40-E43 PolarHBondContact NE-OE2 2.96Å; R40-E43 IonicContact NH2-OE1 3.37Å; R40-E43 PolarHBondContact NH2-OE1 3.36Å; R40-E43 IonicContact NH2-OE2 3.18Å; R40-E43 PolarHBondContact O-N 3.31Å; R40-L44 WeakPolarHBondContact O-CB 3.32Å; R40-L44 PolarHBondContact O-N 3.48Å; R40-D104 PolarHBondContact NH2-O 3.02Å; R40-D104 VanDerWaalsContact NH2-O 3.16Å; R40-L186 HydrophobicContact CB-CD1 4.47Å; R40-I190 HydrophobicContact CB-CD1 3.51Å; R40-I190 HydrophobicContact CB-CG1 3.65Å; R40-I190 HydrophobicContact CG-CG1 4.41Å |
| 41 | E | 90.3 | Very high | 89.5 | Confident | 71 Ų | 71 | 60.1 Ų | 60.1 | 33% | 0.332 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 172.3 | -71.5 | 178 | 164.3 | 0 | 0 | 111.2 | M37 L44 D45 I190 | M37-E41 HydrophobicContact CG-CG 4.29Å; M37-E41 WeakPolarHBondContact O-CG 3.08Å; M37-E41 PolarHBondContact O-N 3.41Å; E41-L44 WeakPolarHBondContact O-CB 3.29Å; E41-L44 PolarHBondContact O-N 3.1Å; E41-D45 PolarHBondContact O-N 3.45Å; E41-I190 HydrophobicContact CG-CD1 4.22Å |
| 42 | T | 93.4 | Very high | 88.9 | Confident | 62 Ų | 62 | 59.9 Ų | 59.9 | 38% | 0.38 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 174.8 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | L38 W39 R40 L44 D45 M46 | L38-T42 WeakPolarHBondContact O-CB 3.44Å; L38-T42 PolarHBondContact O-N 3.15Å; L38-T42 PolarHBondContact O-OG1 2.83Å; W39-T42 WeakPolarHBondContact O-CB 3.38Å; W39-T42 PolarHBondContact O-N 2.9Å; R40-T42 VanDerWaalsContact C-N 3.34Å; T42-L44 VanDerWaalsContact C-N 3.32Å; T42-L44 PolarHBondContact O-N 3.31Å; T42-D45 PolarHBondContact O-N 2.87Å; T42-M46 HydrophobicContact CG2-SD 4.36Å; T42-M46 VanDerWaalsContact O-CG 3.29Å; T42-M46 WeakPolarHBondContact O-CG 3.4Å; T42-M46 PolarHBondContact O-N 3.29Å |
| 43 | E | 92.2 | Very high | 88.4 | Confident | 9 Ų | 9 | 59.6 Ų | 59.6 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 176 | -72.5 | 166.2 | -171 | 0 | 0 | 112.3 | W39 R40 M46 M47 V101 D104 T105 L186 | W39-E43 WeakPolarHBondContact O-CG 3.33Å; W39-E43 PolarHBondContact O-N 3.03Å; R40-E43 WeakPolarHBondContact CD-OE2 3.23Å; R40-E43 IonicContact CZ-OE1 3.51Å; R40-E43 IonicContact CZ-OE2 2.97Å; R40-E43 VanDerWaalsContact NE-CD 3.29Å; R40-E43 IonicContact NE-OE1 3.23Å; R40-E43 PolarHBondContact NE-OE1 2.97Å; R40-E43 IonicContact NE-OE2 2.75Å; R40-E43 PolarHBondContact NE-OE2 2.96Å; R40-E43 IonicContact NH2-OE1 3.37Å; R40-E43 PolarHBondContact NH2-OE1 3.36Å; R40-E43 IonicContact NH2-OE2 3.18Å; R40-E43 PolarHBondContact O-N 3.31Å; E43-M46 WeakPolarHBondContact O-CB 3.36Å; E43-M46 PolarHBondContact O-N 2.65Å; E43-M47 WeakPolarHBondContact O-CG 3.47Å; E43-M47 PolarHBondContact O-N 3.49Å; E43-V101 HydrophobicContact CB-CG1 3.93Å; E43-V101 HydrophobicContact CG-CG1 4.18Å; E43-D104 WeakPolarHBondContact OE1-CB 3.49Å; E43-T105 WeakPolarHBondContact OE2-CA 3.23Å; E43-T105 WeakPolarHBondContact OE2-CB 3.41Å; E43-T105 PolarHBondContact OE2-N 3.03Å; E43-T105 PolarHBondContact OE2-OG1 3.18Å; E43-L186 HydrophobicContact CB-CD2 4.5Å |
| 44 | L | 87.8 | Confident | 87.6 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 12% | 0.115 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.7 | -47.8 | 173.1 | -179.9 | 68.5 | 0 | 0 | 0 | 111 | R40 E41 T42 M46 M47 L48 A183 L186 D187 | R40-L44 WeakPolarHBondContact O-CB 3.32Å; R40-L44 PolarHBondContact O-N 3.48Å; E41-L44 WeakPolarHBondContact O-CB 3.29Å; E41-L44 PolarHBondContact O-N 3.1Å; T42-L44 VanDerWaalsContact C-N 3.32Å; T42-L44 PolarHBondContact O-N 3.31Å; L44-M46 VanDerWaalsContact C-N 3.32Å; L44-M46 PolarHBondContact O-N 3.29Å; L44-M47 WeakPolarHBondContact O-CB 3.5Å; L44-M47 PolarHBondContact O-N 3.07Å; L44-L48 WeakPolarHBondContact O-CG 3.1Å; L44-L48 PolarHBondContact O-N 3.2Å; L44-A183 VanDerWaalsContact CD1-CA 3.41Å; L44-A183 HydrophobicContact CD1-CB 3.5Å; L44-A183 VanDerWaalsContact CD1-CB 3.5Å; L44-A183 WeakPolarHBondContact CD1-O 3.5Å; L44-L186 HydrophobicContact CB-CD2 4.3Å; L44-D187 HydrophobicContact CD2-CB 4.02Å |
| 45 | D | 87.7 | Confident | 86.4 | Confident | 108 Ų | 108 | 58.1 Ų | 58.1 | 58% | 0.578 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -61.6 | -40.4 | 175.8 | -74.7 | -21.2 | 0 | 0 | 0 | 111.7 | E41 T42 L48 D49 | E41-D45 PolarHBondContact O-N 3.45Å; T42-D45 PolarHBondContact O-N 2.87Å; D45-L48 PolarHBondContact O-N 3.47Å; D45-D49 PolarHBondContact O-N 3.13Å |
| 46 | M | 90.8 | Very high | 85.1 | Confident | 90 Ų | 90 | 57.5 Ų | 57.5 | 44% | 0.443 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 175.3 | -69.1 | 174.3 | 75.8 | 0 | 0 | 112.2 | T42 E43 L44 L48 D49 I50 V101 | T42-M46 HydrophobicContact CG2-SD 4.36Å; T42-M46 VanDerWaalsContact O-CG 3.29Å; T42-M46 WeakPolarHBondContact O-CG 3.4Å; T42-M46 PolarHBondContact O-N 3.29Å; E43-M46 WeakPolarHBondContact O-CB 3.36Å; E43-M46 PolarHBondContact O-N 2.65Å; L44-M46 VanDerWaalsContact C-N 3.32Å; L44-M46 PolarHBondContact O-N 3.29Å; M46-L48 VanDerWaalsContact C-N 3.32Å; M46-L48 PolarHBondContact O-N 3.06Å; M46-D49 PolarHBondContact O-N 3.37Å; M46-I50 WeakPolarHBondContact O-CB 3.25Å; M46-I50 WeakPolarHBondContact O-CD1 3.4Å; M46-I50 VanDerWaalsContact O-CG1 3.24Å; M46-I50 WeakPolarHBondContact O-CG1 2.81Å; M46-I50 PolarHBondContact O-N 2.65Å; M46-V101 HydrophobicContact CB-CG1 4.34Å; M46-V101 HydrophobicContact CB-CG2 3.99Å; M46-V101 HydrophobicContact CE-CG2 3.58Å; M46-V101 HydrophobicContact SD-CG2 4.23Å |
| 47 | M | 85.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.8 | -45.4 | 174.3 | -73.5 | -175.5 | -163.3 | 0 | 0 | 110.8 | E43 L44 I50 K51 L98 V101 L102 T105 V179 M182 L186 | E43-M47 WeakPolarHBondContact O-CG 3.47Å; E43-M47 PolarHBondContact O-N 3.49Å; L44-M47 WeakPolarHBondContact O-CB 3.5Å; L44-M47 PolarHBondContact O-N 3.07Å; M47-I50 PolarHBondContact O-N 3.04Å; M47-K51 PolarHBondContact O-N 3.27Å; M47-L98 HydrophobicContact CG-CD1 4.27Å; M47-V101 HydrophobicContact CE-CG1 3.87Å; M47-V101 HydrophobicContact CG-CG1 3.86Å; M47-L102 HydrophobicContact CE-CD2 3.38Å; M47-L102 HydrophobicContact CE-CG 4.29Å; M47-L102 HydrophobicContact SD-CD2 4.21Å; M47-T105 HydrophobicContact CE-CG2 4.29Å; M47-T105 WeakPolarHBondContact CE-OG1 2.9Å; M47-V179 HydrophobicContact CB-CG1 3.92Å; M47-V179 WeakPolarHBondContact O-CG1 3.28Å; M47-M182 HydrophobicContact SD-CB 4.42Å; M47-L186 HydrophobicContact CE-CD2 3.94Å; M47-L186 HydrophobicContact SD-CD2 4.35Å |
| 48 | L | 83.4 | Confident | 81.9 | Confident | 75 Ų | 75 | 58.8 Ų | 58.8 | 39% | 0.393 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.8 | -37.8 | 179.2 | -66.3 | 175.1 | 0 | 0 | 0 | 112.6 | L44 D45 M46 K51 D52 A183 | L44-L48 WeakPolarHBondContact O-CG 3.1Å; L44-L48 PolarHBondContact O-N 3.2Å; D45-L48 PolarHBondContact O-N 3.47Å; M46-L48 VanDerWaalsContact C-N 3.32Å; M46-L48 PolarHBondContact O-N 3.06Å; L48-K51 PolarHBondContact O-N 3.37Å; L48-D52 PolarHBondContact O-N 3.38Å; L48-A183 HydrophobicContact CD2-CB 4.03Å; L48-A183 HydrophobicContact CG-CB 4.47Å |
| 49 | D | 82.5 | Confident | 79.8 | Confident | 80 Ų | 80 | 57.2 Ų | 57.2 | 43% | 0.428 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 172.5 | 177.8 | 75.6 | 0 | 0 | 0 | 111.9 | D45 M46 K51 D52 R53 | D45-D49 PolarHBondContact O-N 3.13Å; M46-D49 PolarHBondContact O-N 3.37Å; D49-K51 VanDerWaalsContact C-N 3.25Å; D49-K51 PolarHBondContact O-N 2.77Å; D49-D52 PolarHBondContact O-N 3.26Å; D49-R53 WeakPolarHBondContact O-CB 3.22Å; D49-R53 WeakPolarHBondContact O-CG 3.13Å; D49-R53 PolarHBondContact O-N 3.12Å; D49-R53 WeakPolarHBondContact OD2-CD 3.42Å; D49-R53 IonicContact OD2-NH1 3.1Å |
| 50 | I | 83.8 | Confident | 77.7 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.015 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.1 | -42.7 | 176.7 | -71.8 | 164.4 | 0 | 0 | 0 | 110.3 | M46 M47 R53 A54 L94 E97 L98 V101 L176 | M46-I50 WeakPolarHBondContact O-CB 3.25Å; M46-I50 WeakPolarHBondContact O-CD1 3.4Å; M46-I50 VanDerWaalsContact O-CG1 3.24Å; M46-I50 WeakPolarHBondContact O-CG1 2.81Å; M46-I50 PolarHBondContact O-N 2.65Å; M47-I50 PolarHBondContact O-N 3.04Å; I50-R53 PolarHBondContact O-N 3.09Å; I50-A54 WeakPolarHBondContact O-CB 3.43Å; I50-A54 PolarHBondContact O-N 3.38Å; I50-L94 HydrophobicContact CG2-CB 4.34Å; I50-L94 HydrophobicContact CG2-CD2 4.38Å; I50-E97 HydrophobicContact CD1-CB 4.01Å; I50-E97 HydrophobicContact CG1-CB 4.39Å; I50-L98 HydrophobicContact CD1-CB 4.32Å; I50-L98 HydrophobicContact CG2-CB 4.28Å; I50-V101 HydrophobicContact CD1-CG2 3.99Å; I50-L176 HydrophobicContact CG2-CD2 3.64Å |
| 51 | K | 79.1 | Confident | 75.1 | Confident | 44 Ų | 44 | 55.9 Ų | 55.9 | 19% | 0.191 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.3 | -52.2 | 175.3 | 177.6 | -171.3 | 159.4 | 70.3 | 0 | 111.6 | M47 L48 D49 R53 A54 D55 V179 D180 | M47-K51 PolarHBondContact O-N 3.27Å; L48-K51 PolarHBondContact O-N 3.37Å; D49-K51 VanDerWaalsContact C-N 3.25Å; D49-K51 PolarHBondContact O-N 2.77Å; K51-R53 VanDerWaalsContact C-N 3.25Å; K51-R53 PolarHBondContact O-N 3.11Å; K51-A54 WeakPolarHBondContact O-CA 3.49Å; K51-A54 WeakPolarHBondContact O-CB 3.41Å; K51-A54 PolarHBondContact O-N 2.74Å; K51-D55 WeakPolarHBondContact CE-OD2 3.35Å; K51-D55 IonicContact NZ-OD2 3.38Å; K51-D55 PolarHBondContact NZ-OD2 3.44Å; K51-D55 PolarHBondContact O-N 3.28Å; K51-V179 HydrophobicContact CB-CB 4.26Å; K51-V179 HydrophobicContact CB-CG1 3.85Å; K51-D180 WeakPolarHBondContact CD-OD1 3.31Å; K51-D180 WeakPolarHBondContact CE-OD1 3.04Å; K51-D180 VanDerWaalsContact CE-OD2 3.25Å; K51-D180 WeakPolarHBondContact CE-OD2 3.26Å; K51-D180 VanDerWaalsContact NZ-CG 3.32Å; K51-D180 IonicContact NZ-OD1 2.65Å; K51-D180 PolarHBondContact NZ-OD1 2.88Å; K51-D180 IonicContact NZ-OD2 3.54Å; K51-D180 PolarHBondContact NZ-OD2 3.39Å |
| 52 | D | 75.1 | Confident | 72.8 | Confident | 69 Ų | 69 | 54.2 Ų | 54.2 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.6 | -39.7 | -179.9 | 171.9 | 72.4 | 0 | 0 | 0 | 111.4 | L48 D49 D55 K56 | L48-D52 PolarHBondContact O-N 3.38Å; D49-D52 PolarHBondContact O-N 3.26Å; D52-D55 PolarHBondContact O-N 3.42Å; D52-K56 WeakPolarHBondContact O-CB 3.49Å; D52-K56 WeakPolarHBondContact O-CD 3.46Å; D52-K56 VanDerWaalsContact O-CG 3.23Å; D52-K56 WeakPolarHBondContact O-CG 3.34Å; D52-K56 PolarHBondContact O-N 3.01Å; D52-K56 WeakPolarHBondContact OD1-CE 3.3Å; D52-K56 IonicContact OD1-NZ 2.59Å; D52-K56 WeakPolarHBondContact OD2-CE 3.48Å; D52-K56 IonicContact OD2-NZ 3.41Å; D52-K56 PolarHBondContact OD2-NZ 2.68Å |
| 53 | R | 81 | Confident | 70.5 | Confident | 84 Ų | 84 | 55.3 Ų | 55.3 | 32% | 0.317 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 172.6 | -71.4 | 168.3 | 61.5 | -157 | -6.9 | 112.2 | D49 I50 K51 K56 V57 L94 E97 | D49-R53 WeakPolarHBondContact O-CB 3.22Å; D49-R53 WeakPolarHBondContact O-CG 3.13Å; D49-R53 PolarHBondContact O-N 3.12Å; D49-R53 WeakPolarHBondContact OD2-CD 3.42Å; D49-R53 IonicContact OD2-NH1 3.1Å; I50-R53 PolarHBondContact O-N 3.09Å; K51-R53 VanDerWaalsContact C-N 3.25Å; K51-R53 PolarHBondContact O-N 3.11Å; R53-K56 PolarHBondContact O-N 2.69Å; R53-V57 WeakPolarHBondContact O-CG2 3.08Å; R53-V57 PolarHBondContact O-N 2.96Å; R53-L94 HydrophobicContact CB-CD1 4.21Å; R53-L94 HydrophobicContact CB-CD2 3.92Å; R53-L94 VanDerWaalsContact CZ-CD2 3.44Å; R53-L94 VanDerWaalsContact NH2-CD2 3.35Å; R53-E97 IonicContact CZ-OE1 3.58Å; R53-E97 IonicContact CZ-OE2 2.63Å; R53-E97 IonicContact NH1-OE1 2.68Å; R53-E97 IonicContact NH1-OE2 3.54Å; R53-E97 PolarHBondContact NH1-OE2 3.42Å; R53-E97 IonicContact NH2-OE1 3.69Å; R53-E97 PolarHBondContact NH2-OE1 3.36Å; R53-E97 IonicContact NH2-OE2 2.66Å; R53-E97 PolarHBondContact NH2-OE2 2.93Å |
| 54 | A | 73.6 | Confident | 68.2 | Low | 9 Ų | 9 | 56.1 Ų | 56.1 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I50 K51 K56 V57 N58 L91 L94 L176 | I50-A54 WeakPolarHBondContact O-CB 3.43Å; I50-A54 PolarHBondContact O-N 3.38Å; K51-A54 WeakPolarHBondContact O-CA 3.49Å; K51-A54 WeakPolarHBondContact O-CB 3.41Å; K51-A54 PolarHBondContact O-N 2.74Å; A54-K56 VanDerWaalsContact C-N 3.33Å; A54-K56 PolarHBondContact O-N 3.35Å; A54-V57 PolarHBondContact O-N 2.88Å; A54-N58 PolarHBondContact O-N 3.46Å; A54-L91 HydrophobicContact CB-CD2 4.33Å; A54-L94 HydrophobicContact CB-CD1 3.97Å; A54-L176 HydrophobicContact CB-CD1 4.42Å; A54-L176 HydrophobicContact CB-CD2 4.32Å |
| 55 | D | 66 | Low | 66 | Low | 61 Ų | 61 | 59.2 Ų | 59.2 | 33% | 0.326 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 177.1 | -70.2 | -21.3 | 0 | 0 | 0 | 110.7 | K51 D52 N58 L59 | K51-D55 WeakPolarHBondContact CE-OD2 3.35Å; K51-D55 IonicContact NZ-OD2 3.38Å; K51-D55 PolarHBondContact NZ-OD2 3.44Å; K51-D55 PolarHBondContact O-N 3.28Å; D52-D55 PolarHBondContact O-N 3.42Å; D55-N58 WeakPolarHBondContact O-CB 3.3Å; D55-N58 PolarHBondContact O-N 3.5Å; D55-L59 WeakPolarHBondContact O-CG 3.18Å; D55-L59 PolarHBondContact O-N 2.9Å |
| 56 | K | 67.4 | Low | 63.8 | Low | 123 Ų | 123 | 61.8 Ų | 61.8 | 54% | 0.535 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66 | -35 | 173.5 | -75.3 | 168.3 | -179.5 | 169.4 | 0 | 113.9 | D52 R53 A54 N58 L59 | D52-K56 WeakPolarHBondContact O-CB 3.49Å; D52-K56 WeakPolarHBondContact O-CD 3.46Å; D52-K56 VanDerWaalsContact O-CG 3.23Å; D52-K56 WeakPolarHBondContact O-CG 3.34Å; D52-K56 PolarHBondContact O-N 3.01Å; D52-K56 WeakPolarHBondContact OD1-CE 3.3Å; D52-K56 IonicContact OD1-NZ 2.59Å; D52-K56 WeakPolarHBondContact OD2-CE 3.48Å; D52-K56 IonicContact OD2-NZ 3.41Å; D52-K56 PolarHBondContact OD2-NZ 2.68Å; R53-K56 PolarHBondContact O-N 2.69Å; A54-K56 VanDerWaalsContact C-N 3.33Å; A54-K56 PolarHBondContact O-N 3.35Å; K56-N58 PolarHBondContact O-N 3.42Å; K56-L59 PolarHBondContact O-N 2.93Å |
| 57 | V | 65.9 | Low | 61.9 | Low | 34 Ų | 34 | 59.1 Ų | 59.1 | 21% | 0.206 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.5 | -32.8 | 173.1 | 171 | 0 | 0 | 0 | 0 | 110.6 | R53 A54 A87 R90 L91 L94 | R53-V57 WeakPolarHBondContact O-CG2 3.08Å; R53-V57 PolarHBondContact O-N 2.96Å; A54-V57 PolarHBondContact O-N 2.88Å; V57-A87 HydrophobicContact CG1-CB 4.27Å; V57-R90 HydrophobicContact CG1-CB 4.2Å; V57-R90 HydrophobicContact CG2-CB 4.21Å; V57-L91 HydrophobicContact CB-CD2 4.35Å; V57-L91 HydrophobicContact CG1-CD2 4.07Å; V57-L91 HydrophobicContact CG1-CG 4.02Å; V57-L94 HydrophobicContact CG2-CD1 4.27Å |
| 58 | N | 51.8 | Low | 60.2 | Low | 21 Ų | 21 | 68.8 Ų | 68.8 | 11% | 0.112 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -77 | -30.1 | 179.1 | -150.9 | 1.4 | 0 | 0 | 0 | 112.9 | A54 D55 K56 N60 F495 K498 | A54-N58 PolarHBondContact O-N 3.46Å; D55-N58 WeakPolarHBondContact O-CB 3.3Å; D55-N58 PolarHBondContact O-N 3.5Å; K56-N58 PolarHBondContact O-N 3.42Å; N58-N60 PolarHBondContact O-N 3.23Å; N58-F495 VanDerWaalsContact ND2-CE1 3.26Å; N58-F495 WeakPolarHBondContact ND2-CE1 3.09Å; N58-F495 WeakPolarHBondContact ND2-CZ 3.2Å; N58-K498 WeakPolarHBondContact OD1-CD 3.41Å; N58-K498 WeakPolarHBondContact OD1-CE 3.41Å; N58-K498 PolarHBondContact OD1-NZ 3.14Å |
| 59 | L | 48 | Very low | 58.6 | Low | 73 Ų | 73 | 71 Ų | 71 | 38% | 0.382 | 36% | 0.358 | S | S | . | . | trans | -80.1 | 93.2 | 176.2 | -73.9 | 162.1 | 0 | 0 | 0 | 112.2 | D55 K56 F494 | D55-L59 WeakPolarHBondContact O-CG 3.18Å; D55-L59 PolarHBondContact O-N 2.9Å; K56-L59 PolarHBondContact O-N 2.93Å; L59-F494 HydrophobicContact CD2-CD2 4.4Å; L59-F494 HydrophobicContact CD2-CE1 4.07Å; L59-F494 HydrophobicContact CD2-CE2 3.56Å; L59-F494 HydrophobicContact CD2-CZ 3.38Å; L59-F494 HydrophobicContact CG-CE1 4.47Å; L59-F494 HydrophobicContact CG-CZ 4.15Å | ||
| 60 | N | 50.1 | Low | 56.9 | Low | 45 Ų | 45 | 73.4 Ų | 73.4 | 24% | 0.241 | 36% | 0.364 | C | S | . | . | trans | -152.7 | 58.7 | 157.9 | -128.8 | -24.6 | 0 | 0 | 0 | 116.3 | N58 Y77 | N58-N60 PolarHBondContact O-N 3.23Å; N60-Y77 HydrophobicContact CB-CD2 3.76Å; N60-Y77 HydrophobicContact CB-CE2 4.01Å; N60-Y77 WeakPolarHBondContact O-CD2 3.47Å; N60-Y77 WeakPolarHBondContact O-CE2 3.4Å | ||
| 61 | I | 41.3 | Very low | 55.1 | Low | 91 Ų | 91 | 75.7 Ų | 75.7 | 47% | 0.467 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -129.5 | -25.7 | 153.8 | -92.3 | 174.4 | 0 | 0 | 0 | 110.9 | H63 V64 T65 | I61-H63 VanDerWaalsContact C-N 3.29Å; I61-H63 PolarHBondContact O-N 3.39Å; I61-V64 WeakPolarHBondContact O-CB 3.38Å; I61-V64 PolarHBondContact O-N 3.13Å; I61-T65 HydrophobicContact CG2-CG2 4.24Å; I61-T65 PolarHBondContact O-N 3.41Å |
| 62 | S | 41.3 | Very low | 54.1 | Low | 35 Ų | 35 | 79.5 Ų | 79.5 | 25% | 0.245 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.7 | -33 | 177.6 | 50.4 | 0 | 0 | 0 | 0 | 113.5 | V64 T65 Q66 | S62-V64 PolarHBondContact O-N 2.83Å; S62-T65 WeakPolarHBondContact CA-OG1 3.45Å; S62-T65 PolarHBondContact O-N 3.03Å; S62-T65 VanDerWaalsContact O-N 3.12Å; S62-T65 PolarHBondContact O-OG1 3.48Å; S62-Q66 WeakPolarHBondContact O-CB 3.26Å; S62-Q66 PolarHBondContact O-N 3.13Å |
| 63 | H | 46.8 | Very low | 53 | Low | 86 Ų | 86 | 76.3 Ų | 76.3 | 40% | 0.398 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.4 | -30.4 | 173 | -171.3 | -105.3 | 0 | 0 | 0 | 112 | I61 S67 A73 E76 | I61-H63 VanDerWaalsContact C-N 3.29Å; I61-H63 PolarHBondContact O-N 3.39Å; H63-S67 WeakPolarHBondContact O-CB 3.25Å; H63-S67 PolarHBondContact O-N 3.4Å; H63-A73 WeakPolarHBondContact ND1-CB 3.47Å; H63-A73 VanDerWaalsContact O-CB 3.25Å; H63-A73 WeakPolarHBondContact O-CB 3.33Å; H63-E76 IonicContact CE1-OE2 3.51Å; H63-E76 PolarHBondContact CE1-OE2 3.26Å |
| 64 | V | 43.8 | Very low | 51.4 | Low | 25 Ų | 25 | 77.3 Ų | 77.3 | 15% | 0.152 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -80.8 | -35.1 | 176 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | I61 S62 K70 F74 Y77 | I61-V64 WeakPolarHBondContact O-CB 3.38Å; I61-V64 PolarHBondContact O-N 3.13Å; S62-V64 PolarHBondContact O-N 2.83Å; V64-K70 WeakPolarHBondContact O-CG 3.16Å; V64-F74 HydrophobicContact CG1-CB 3.93Å; V64-F74 HydrophobicContact CG1-CD2 4.19Å; V64-F74 HydrophobicContact CG2-CB 4.3Å; V64-F74 HydrophobicContact CG2-CD2 4.46Å; V64-Y77 HydrophobicContact CG2-CD1 4.48Å; V64-Y77 HydrophobicContact CG2-CG 4.35Å |
| 65 | T | 40.6 | Very low | 50.4 | Low | 88 Ų | 88 | 81.2 Ų | 81.2 | 54% | 0.54 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -82.3 | -28.5 | -175.9 | 60.1 | 0 | 0 | 0 | 0 | 113.3 | I61 S62 | I61-T65 HydrophobicContact CG2-CG2 4.24Å; I61-T65 PolarHBondContact O-N 3.41Å; S62-T65 WeakPolarHBondContact CA-OG1 3.45Å; S62-T65 PolarHBondContact O-N 3.03Å; S62-T65 VanDerWaalsContact O-N 3.12Å; S62-T65 PolarHBondContact O-OG1 3.48Å |
| 66 | Q | 41.9 | Very low | 49.7 | Very low | 162 Ų | 162 | 82.7 Ų | 82.7 | 76% | 0.757 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -99.2 | -13.6 | -179.3 | -64.3 | 177.5 | -6.5 | 0 | 0 | 114.1 | S62 | S62-Q66 WeakPolarHBondContact O-CB 3.26Å; S62-Q66 PolarHBondContact O-N 3.13Å |
| 67 | S | 49.9 | Very low | 48.9 | Very low | 33 Ų | 33 | 78.5 Ų | 78.5 | 23% | 0.231 | 40% | 0.404 | C | S | . | . | trans | -73.3 | 131.6 | 177 | -179.7 | 0 | 0 | 0 | 0 | 111.5 | H63 Q69 K70 | H63-S67 WeakPolarHBondContact O-CB 3.25Å; H63-S67 PolarHBondContact O-N 3.4Å; S67-Q69 PolarHBondContact O-N 3.49Å; S67-Q69 PolarHBondContact OG-N 3.2Å; S67-Q69 VanDerWaalsContact OG-N 3.14Å; S67-Q69 PolarHBondContact OG-O 2.68Å; S67-K70 VanDerWaalsContact O-CG 3.22Å; S67-K70 WeakPolarHBondContact O-CG 3.01Å; S67-K70 PolarHBondContact O-N 2.97Å | ||
| 68 | E | 52.1 | Low | 48.2 | Very low | 203 Ų | 203 | 80.9 Ų | 80.9 | 95% | 0.949 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -28.1 | 169.1 | -67.6 | -173.8 | 162.7 | 0 | 0 | 111.6 | ||
| 69 | Q | 48.7 | Very low | 48.2 | Very low | 123 Ų | 123 | 87.1 Ų | 87.1 | 58% | 0.575 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 66.4 | 175.7 | -67.7 | -170.8 | -6.3 | 0 | 0 | 111.5 | S67 G71 K72 A73 | S67-Q69 PolarHBondContact O-N 3.49Å; S67-Q69 PolarHBondContact OG-N 3.2Å; S67-Q69 VanDerWaalsContact OG-N 3.14Å; S67-Q69 PolarHBondContact OG-O 2.68Å; Q69-G71 PolarHBondContact O-N 2.63Å; Q69-K72 HydrophobicContact CB-CB 4.11Å; Q69-K72 PolarHBondContact O-N 2.7Å; Q69-A73 PolarHBondContact O-N 2.9Å |
| 70 | K | 46 | Very low | 48.2 | Very low | 129 Ų | 129 | 86.5 Ų | 86.5 | 56% | 0.561 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -46.8 | -38.3 | -179.6 | -58.1 | -170.1 | 175.6 | 178 | 0 | 114.1 | V64 S67 F74 | V64-K70 WeakPolarHBondContact O-CG 3.16Å; S67-K70 VanDerWaalsContact O-CG 3.22Å; S67-K70 WeakPolarHBondContact O-CG 3.01Å; S67-K70 PolarHBondContact O-N 2.97Å; K70-F74 WeakPolarHBondContact O-CB 3.18Å; K70-F74 PolarHBondContact O-N 3.34Å |
| 71 | G | 47.3 | Very low | 48.2 | Very low | 52 Ų | 52 | 90.1 Ų | 90.1 | 54% | 0.536 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.9 | -40.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q69 V75 | Q69-G71 PolarHBondContact O-N 2.63Å; G71-V75 WeakPolarHBondContact O-CB 3.46Å; G71-V75 VanDerWaalsContact O-CG2 3.22Å; G71-V75 WeakPolarHBondContact O-CG2 3.41Å; G71-V75 PolarHBondContact O-N 3.45Å |
| 72 | K | 56.9 | Low | 48.1 | Very low | 123 Ų | 123 | 91.2 Ų | 91.2 | 54% | 0.535 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -72.3 | -42.4 | 177.5 | -170.6 | -178.9 | 176.8 | -171.7 | 0 | 111.1 | Q69 F74 V75 E76 | Q69-K72 HydrophobicContact CB-CB 4.11Å; Q69-K72 PolarHBondContact O-N 2.7Å; K72-F74 VanDerWaalsContact C-N 3.33Å; K72-F74 PolarHBondContact O-N 2.87Å; K72-V75 PolarHBondContact O-N 2.81Å; K72-E76 PolarHBondContact O-N 3.34Å |
| 73 | A | 53.4 | Low | 48.4 | Very low | 2 Ų | 2 | 93.3 Ų | 93.3 | 2% | 0.017 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -63.3 | -37.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | H63 Q69 Y77 | H63-A73 WeakPolarHBondContact ND1-CB 3.47Å; H63-A73 VanDerWaalsContact O-CB 3.25Å; H63-A73 WeakPolarHBondContact O-CB 3.33Å; Q69-A73 PolarHBondContact O-N 2.9Å; A73-Y77 VanDerWaalsContact O-CB 3.3Å; A73-Y77 WeakPolarHBondContact O-CB 3.44Å; A73-Y77 PolarHBondContact O-N 3.12Å |
| 74 | F | 46.2 | Very low | 48.3 | Very low | 106 Ų | 106 | 92.5 Ų | 92.5 | 47% | 0.465 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.3 | -41.3 | 172.9 | -177.4 | -99.7 | 0 | 0 | 0 | 111.9 | V64 K70 K72 Y77 M78 | V64-F74 HydrophobicContact CG1-CB 3.93Å; V64-F74 HydrophobicContact CG1-CD2 4.19Å; V64-F74 HydrophobicContact CG2-CB 4.3Å; V64-F74 HydrophobicContact CG2-CD2 4.46Å; K70-F74 WeakPolarHBondContact O-CB 3.18Å; K70-F74 PolarHBondContact O-N 3.34Å; K72-F74 VanDerWaalsContact C-N 3.33Å; K72-F74 PolarHBondContact O-N 2.87Å; F74-Y77 HydrophobicContact CD2-CD1 4.33Å; F74-Y77 HydrophobicContact CE2-CD1 4.46Å; F74-Y77 PolarHBondContact O-N 2.71Å; F74-M78 HydrophobicContact CD1-CG 4.19Å; F74-M78 HydrophobicContact CE1-CG 3.83Å; F74-M78 HydrophobicContact CE2-CG 4.38Å; F74-M78 HydrophobicContact CZ-CG 3.94Å; F74-M78 HydrophobicContact CZ-SD 4.29Å; F74-M78 WeakPolarHBondContact O-CB 3.47Å; F74-M78 VanDerWaalsContact O-CG 3.26Å; F74-M78 WeakPolarHBondContact O-CG 3.27Å; F74-M78 PolarHBondContact O-N 3.17Å |
| 75 | V | 52.2 | Low | 48.3 | Very low | 91 Ų | 91 | 95.5 Ų | 95.5 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.7 | -40.8 | 174.7 | 169 | 0 | 0 | 0 | 0 | 111 | G71 K72 M78 K79 | G71-V75 WeakPolarHBondContact O-CB 3.46Å; G71-V75 VanDerWaalsContact O-CG2 3.22Å; G71-V75 WeakPolarHBondContact O-CG2 3.41Å; G71-V75 PolarHBondContact O-N 3.45Å; K72-V75 PolarHBondContact O-N 2.81Å; V75-M78 PolarHBondContact O-N 3.3Å; V75-K79 WeakPolarHBondContact O-CB 3.49Å; V75-K79 PolarHBondContact O-N 2.93Å |
| 76 | E | 51.9 | Low | 49.3 | Very low | 91 Ų | 91 | 95.7 Ų | 95.7 | 43% | 0.425 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 174.3 | -78.5 | 174 | -176 | 0 | 0 | 112.6 | H63 K72 K79 N80 | H63-E76 IonicContact CE1-OE2 3.51Å; H63-E76 PolarHBondContact CE1-OE2 3.26Å; K72-E76 PolarHBondContact O-N 3.34Å; E76-K79 PolarHBondContact O-N 3.26Å; E76-N80 WeakPolarHBondContact O-CB 3.49Å; E76-N80 PolarHBondContact O-N 2.99Å |
| 77 | Y | 51.5 | Low | 50.3 | Low | 36 Ų | 36 | 90.1 Ų | 90.1 | 14% | 0.141 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -57.3 | -48.2 | 171.2 | 164.9 | -115 | 0 | 0 | 0 | 111.6 | N60 V64 A73 F74 K79 N80 K81 | N60-Y77 HydrophobicContact CB-CD2 3.76Å; N60-Y77 HydrophobicContact CB-CE2 4.01Å; N60-Y77 WeakPolarHBondContact O-CD2 3.47Å; N60-Y77 WeakPolarHBondContact O-CE2 3.4Å; V64-Y77 HydrophobicContact CG2-CD1 4.48Å; V64-Y77 HydrophobicContact CG2-CG 4.35Å; A73-Y77 VanDerWaalsContact O-CB 3.3Å; A73-Y77 WeakPolarHBondContact O-CB 3.44Å; A73-Y77 PolarHBondContact O-N 3.12Å; F74-Y77 HydrophobicContact CD2-CD1 4.33Å; F74-Y77 HydrophobicContact CE2-CD1 4.46Å; F74-Y77 PolarHBondContact O-N 2.71Å; Y77-K79 VanDerWaalsContact C-N 3.34Å; Y77-K79 PolarHBondContact O-N 3.04Å; Y77-N80 PolarHBondContact O-N 3.36Å; Y77-K81 HydrophobicContact CE2-CD 4.3Å; Y77-K81 PolarHBondContact O-N 2.91Å; Y77-K81 VanDerWaalsContact O-N 3.08Å; Y77-K81 PolarHBondContact OH-NZ 3.47Å |
| 78 | M | 50 | Low | 51 | Low | 83 Ų | 83 | 93.8 Ų | 93.8 | 41% | 0.409 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -37.1 | 176.3 | -73.5 | -65.8 | -67.3 | 0 | 0 | 111.6 | F74 V75 K81 V82 | F74-M78 HydrophobicContact CD1-CG 4.19Å; F74-M78 HydrophobicContact CE1-CG 3.83Å; F74-M78 HydrophobicContact CE2-CG 4.38Å; F74-M78 HydrophobicContact CZ-CG 3.94Å; F74-M78 HydrophobicContact CZ-SD 4.29Å; F74-M78 WeakPolarHBondContact O-CB 3.47Å; F74-M78 VanDerWaalsContact O-CG 3.26Å; F74-M78 WeakPolarHBondContact O-CG 3.27Å; F74-M78 PolarHBondContact O-N 3.17Å; V75-M78 PolarHBondContact O-N 3.3Å; M78-K81 CarbonylContact O-C 3.59Å; M78-K81 WeakPolarHBondContact O-CB 3.13Å; M78-K81 PolarHBondContact O-N 3.2Å; M78-V82 VanDerWaalsContact O-CB 3.29Å; M78-V82 WeakPolarHBondContact O-CB 3.47Å; M78-V82 WeakPolarHBondContact O-CG2 3.48Å; M78-V82 PolarHBondContact O-N 3.05Å |
| 79 | K | 52.2 | Low | 52 | Low | 152 Ų | 152 | 86.3 Ų | 86.3 | 66% | 0.661 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -70.4 | -37.6 | 179 | -156.1 | 175.4 | -173.3 | -175.8 | 0 | 112.1 | V75 E76 Y77 K81 V82 S83 | V75-K79 WeakPolarHBondContact O-CB 3.49Å; V75-K79 PolarHBondContact O-N 2.93Å; E76-K79 PolarHBondContact O-N 3.26Å; Y77-K79 VanDerWaalsContact C-N 3.34Å; Y77-K79 PolarHBondContact O-N 3.04Å; K79-K81 VanDerWaalsContact C-N 3.31Å; K79-V82 CarbonylContact O-C 3.59Å; K79-V82 PolarHBondContact O-N 3.28Å; K79-V82 VanDerWaalsContact O-N 3.15Å; K79-S83 WeakPolarHBondContact O-CB 3.39Å; K79-S83 PolarHBondContact O-N 3.38Å; K79-S83 PolarHBondContact O-OG 2.85Å |
| 80 | N | 49.1 | Very low | 53.2 | Low | 60 Ų | 60 | 84.1 Ų | 84.1 | 32% | 0.321 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.7 | -31.3 | 173.1 | -159.6 | 1.4 | 0 | 0 | 0 | 111.6 | E76 Y77 S83 R90 | E76-N80 WeakPolarHBondContact O-CB 3.49Å; E76-N80 PolarHBondContact O-N 2.99Å; Y77-N80 PolarHBondContact O-N 3.36Å; N80-S83 WeakPolarHBondContact CA-OG 3.24Å; N80-S83 PolarHBondContact O-OG 2.86Å; N80-S83 VanDerWaalsContact O-OG 3.08Å; N80-R90 PolarHBondContact OD1-NH1 3.13Å; N80-R90 PolarHBondContact OD1-NH2 3.34Å; N80-R90 VanDerWaalsContact OD1-NH2 3.1Å |
| 81 | K | 49.2 | Very low | 54.6 | Low | 121 Ų | 121 | 80.1 Ų | 80.1 | 53% | 0.526 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -73.8 | -27.6 | 168.8 | -101.5 | -169.3 | 170.6 | 169.4 | 0 | 114.1 | Y77 M78 K79 | Y77-K81 HydrophobicContact CE2-CD 4.3Å; Y77-K81 PolarHBondContact O-N 2.91Å; Y77-K81 VanDerWaalsContact O-N 3.08Å; Y77-K81 PolarHBondContact OH-NZ 3.47Å; M78-K81 CarbonylContact O-C 3.59Å; M78-K81 WeakPolarHBondContact O-CB 3.13Å; M78-K81 PolarHBondContact O-N 3.2Å; K79-K81 VanDerWaalsContact C-N 3.31Å |
| 82 | V | 40.1 | Very low | 56.3 | Low | 114 Ų | 114 | 80.4 Ų | 80.4 | 69% | 0.691 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -92.1 | -17.6 | -177 | 168.2 | 0 | 0 | 0 | 0 | 112.3 | M78 K79 G84 | M78-V82 VanDerWaalsContact O-CB 3.29Å; M78-V82 WeakPolarHBondContact O-CB 3.47Å; M78-V82 WeakPolarHBondContact O-CG2 3.48Å; M78-V82 PolarHBondContact O-N 3.05Å; K79-V82 CarbonylContact O-C 3.59Å; K79-V82 PolarHBondContact O-N 3.28Å; K79-V82 VanDerWaalsContact O-N 3.15Å; V82-G84 PolarHBondContact O-N 3.06Å |
| 83 | S | 47.8 | Very low | 57.7 | Low | 79 Ų | 79 | 80 Ų | 80 | 55% | 0.552 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -73.3 | 12.4 | -178.5 | 51.1 | 0 | 0 | 0 | 0 | 116.4 | K79 N80 | K79-S83 WeakPolarHBondContact O-CB 3.39Å; K79-S83 PolarHBondContact O-N 3.38Å; K79-S83 PolarHBondContact O-OG 2.85Å; N80-S83 WeakPolarHBondContact CA-OG 3.24Å; N80-S83 PolarHBondContact O-OG 2.86Å; N80-S83 VanDerWaalsContact O-OG 3.08Å |
| 84 | G | 43.7 | Very low | 59.3 | Low | 70 Ų | 70 | 80.1 Ų | 80.1 | 72% | 0.722 | 45% | 0.445 | S | S | * | . | S | Bend | trans | 98.3 | 1 | 154.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | V82 | V82-G84 PolarHBondContact O-N 3.06Š|
| 85 | L | 44.7 | Very low | 61.3 | Low | 88 Ų | 88 | 79.3 Ų | 79.3 | 46% | 0.461 | 44% | 0.442 | S | S | . | . | trans | -122.3 | 116.2 | 166.1 | -81.2 | 151.8 | 0 | 0 | 0 | 107.9 | S89 | L85-S89 WeakPolarHBondContact CD2-OG 3.49Š| ||
| 86 | T | 60.9 | Low | 63.1 | Low | 91 Ų | 91 | 77 Ų | 77 | 56% | 0.558 | 44% | 0.437 | S | S | * | . | trans | -60.6 | 150.9 | 176.6 | 53.3 | 0 | 0 | 0 | 0 | 109.5 | D88 S89 R90 | T86-D88 PolarHBondContact O-N 2.85Å; T86-D88 VanDerWaalsContact O-N 3.13Å; T86-S89 WeakPolarHBondContact O-CA 3.37Å; T86-S89 WeakPolarHBondContact O-CB 3.33Å; T86-S89 PolarHBondContact O-N 3.3Å; T86-R90 PolarHBondContact O-N 2.93Å | ||
| 87 | A | 62.4 | Low | 65.1 | Low | 46 Ų | 46 | 75.6 Ų | 75.6 | 38% | 0.38 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -51.4 | -37.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V57 S89 R90 L91 | V57-A87 HydrophobicContact CG1-CB 4.27Å; A87-S89 VanDerWaalsContact C-N 3.31Å; A87-S89 PolarHBondContact O-N 3.24Å; A87-R90 PolarHBondContact O-N 3.42Å; A87-R90 VanDerWaalsContact O-N 3.16Å; A87-L91 WeakPolarHBondContact O-CG 3.43Å; A87-L91 PolarHBondContact O-N 2.97Å |
| 88 | D | 64.3 | Low | 67.1 | Low | 109 Ų | 109 | 73.9 Ų | 73.9 | 58% | 0.583 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -57.8 | -39.3 | 174.4 | -48.6 | -19.6 | 0 | 0 | 0 | 112.8 | T86 L91 A92 | T86-D88 PolarHBondContact O-N 2.85Å; T86-D88 VanDerWaalsContact O-N 3.13Å; D88-L91 PolarHBondContact O-N 2.95Å; D88-A92 WeakPolarHBondContact O-CB 3.4Å; D88-A92 PolarHBondContact O-N 3.16Å |
| 89 | S | 73.1 | Confident | 69.3 | Low | 46 Ų | 46 | 71.8 Ų | 71.8 | 32% | 0.322 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.8 | -35.9 | 177.4 | -172.3 | 0 | 0 | 0 | 0 | 112.4 | L85 T86 A87 E93 | L85-S89 WeakPolarHBondContact CD2-OG 3.49Å; T86-S89 WeakPolarHBondContact O-CA 3.37Å; T86-S89 WeakPolarHBondContact O-CB 3.33Å; T86-S89 PolarHBondContact O-N 3.3Å; A87-S89 VanDerWaalsContact C-N 3.31Å; A87-S89 PolarHBondContact O-N 3.24Å; S89-E93 PolarHBondContact O-N 3.37Å; S89-E93 VanDerWaalsContact O-N 3.08Å |
| 90 | R | 73.9 | Confident | 71.4 | Confident | 77 Ų | 77 | 67.2 Ų | 67.2 | 29% | 0.291 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -72.2 | -38.3 | 176.2 | -68.6 | -178.3 | 179 | 162.3 | 2.2 | 111.6 | V57 N80 T86 A87 E93 L94 | V57-R90 HydrophobicContact CG1-CB 4.2Å; V57-R90 HydrophobicContact CG2-CB 4.21Å; N80-R90 PolarHBondContact OD1-NH1 3.13Å; N80-R90 PolarHBondContact OD1-NH2 3.34Å; N80-R90 VanDerWaalsContact OD1-NH2 3.1Å; T86-R90 PolarHBondContact O-N 2.93Å; A87-R90 PolarHBondContact O-N 3.42Å; A87-R90 VanDerWaalsContact O-N 3.16Å; R90-E93 PolarHBondContact O-N 3.31Å; R90-L94 WeakPolarHBondContact O-CG 3.4Å; R90-L94 PolarHBondContact O-N 2.73Å |
| 91 | L | 76.8 | Confident | 73.6 | Confident | 45 Ų | 45 | 64.7 Ų | 64.7 | 24% | 0.236 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.5 | -38.9 | 174.1 | -69.7 | 174.1 | 0 | 0 | 0 | 111.5 | A54 V57 A87 D88 E93 L94 Q95 L176 | A54-L91 HydrophobicContact CB-CD2 4.33Å; V57-L91 HydrophobicContact CB-CD2 4.35Å; V57-L91 HydrophobicContact CG1-CD2 4.07Å; V57-L91 HydrophobicContact CG1-CG 4.02Å; A87-L91 WeakPolarHBondContact O-CG 3.43Å; A87-L91 PolarHBondContact O-N 2.97Å; D88-L91 PolarHBondContact O-N 2.95Å; L91-E93 VanDerWaalsContact C-N 3.35Å; L91-L94 PolarHBondContact O-N 3.41Å; L91-Q95 VanDerWaalsContact O-CB 3.29Å; L91-Q95 WeakPolarHBondContact O-CB 3.08Å; L91-Q95 PolarHBondContact O-N 2.56Å; L91-L176 HydrophobicContact CB-CD1 4.38Å; L91-L176 HydrophobicContact CD2-CD1 4.03Å |
| 92 | A | 82.1 | Confident | 75.7 | Confident | 59 Ų | 59 | 59 Ų | 59 | 49% | 0.488 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | D88 Q95 G96 | D88-A92 WeakPolarHBondContact O-CB 3.4Å; D88-A92 PolarHBondContact O-N 3.16Å; A92-Q95 PolarHBondContact O-N 2.93Å; A92-G96 PolarHBondContact O-N 3.25Å |
| 93 | E | 86.6 | Confident | 78.4 | Confident | 113 Ų | 113 | 57 Ų | 57 | 53% | 0.528 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.2 | -50.2 | 173.7 | -175.2 | 177.8 | -169.6 | 0 | 0 | 111.4 | S89 R90 L91 Q95 G96 E97 | S89-E93 PolarHBondContact O-N 3.37Å; S89-E93 VanDerWaalsContact O-N 3.08Å; R90-E93 PolarHBondContact O-N 3.31Å; L91-E93 VanDerWaalsContact C-N 3.35Å; E93-Q95 VanDerWaalsContact C-N 3.28Å; E93-Q95 PolarHBondContact O-N 2.87Å; E93-G96 CarbonylContact O-C 3.56Å; E93-G96 WeakPolarHBondContact O-CA 3.36Å; E93-G96 PolarHBondContact O-N 2.96Å; E93-E97 PolarHBondContact O-N 3.12Å |
| 94 | L | 86.6 | Confident | 80.6 | Confident | 5 Ų | 5 | 57.8 Ų | 57.8 | 3% | 0.026 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.7 | -35.7 | 175.9 | -72.1 | 172.4 | 0 | 0 | 0 | 112.8 | I50 R53 A54 V57 R90 L91 G96 E97 L98 L176 | I50-L94 HydrophobicContact CG2-CB 4.34Å; I50-L94 HydrophobicContact CG2-CD2 4.38Å; R53-L94 HydrophobicContact CB-CD1 4.21Å; R53-L94 HydrophobicContact CB-CD2 3.92Å; R53-L94 VanDerWaalsContact CZ-CD2 3.44Å; R53-L94 VanDerWaalsContact NH2-CD2 3.35Å; A54-L94 HydrophobicContact CB-CD1 3.97Å; V57-L94 HydrophobicContact CG2-CD1 4.27Å; R90-L94 WeakPolarHBondContact O-CG 3.4Å; R90-L94 PolarHBondContact O-N 2.73Å; L91-L94 PolarHBondContact O-N 3.41Å; L94-G96 VanDerWaalsContact C-N 3.32Å; L94-E97 PolarHBondContact O-N 3.14Å; L94-L98 WeakPolarHBondContact O-CB 3.08Å; L94-L98 PolarHBondContact O-N 3.17Å; L94-L176 HydrophobicContact CB-CD1 4.28Å; L94-L176 HydrophobicContact CB-CD2 4.24Å |
| 95 | Q | 87.3 | Confident | 83 | Confident | 90 Ų | 90 | 54.4 Ų | 54.4 | 42% | 0.421 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.9 | -34.3 | 174.6 | -170.6 | 173.3 | -6.2 | 0 | 0 | 111.7 | L91 A92 E93 A99 P174 L176 | L91-Q95 VanDerWaalsContact O-CB 3.29Å; L91-Q95 WeakPolarHBondContact O-CB 3.08Å; L91-Q95 PolarHBondContact O-N 2.56Å; A92-Q95 PolarHBondContact O-N 2.93Å; E93-Q95 VanDerWaalsContact C-N 3.28Å; E93-Q95 PolarHBondContact O-N 2.87Å; Q95-A99 WeakPolarHBondContact O-CB 3.38Å; Q95-A99 PolarHBondContact O-N 2.85Å; Q95-P174 HydrophobicContact CG-CB 4.46Å; Q95-P174 VanDerWaalsContact CG-O 3.26Å; Q95-P174 WeakPolarHBondContact CG-O 3.45Å; Q95-P174 PolarHBondContact NE2-O 3.37Å; Q95-L176 HydrophobicContact CB-CD1 4.26Å; Q95-L176 HydrophobicContact CB-CG 4.37Å |
| 96 | G | 91.1 | Very high | 85.4 | Confident | 42 Ų | 42 | 52.7 Ų | 52.7 | 43% | 0.433 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.4 | -43.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A92 E93 L94 L98 A99 A100 | A92-G96 PolarHBondContact O-N 3.25Å; E93-G96 CarbonylContact O-C 3.56Å; E93-G96 WeakPolarHBondContact O-CA 3.36Å; E93-G96 PolarHBondContact O-N 2.96Å; L94-G96 VanDerWaalsContact C-N 3.32Å; G96-L98 VanDerWaalsContact C-N 3.34Å; G96-A99 WeakPolarHBondContact O-CB 3.05Å; G96-A99 PolarHBondContact O-N 2.81Å; G96-A100 PolarHBondContact O-N 3.49Å; G96-A100 VanDerWaalsContact O-N 3.09Å |
| 97 | E | 94.6 | Very high | 86.9 | Confident | 61 Ų | 61 | 52 Ų | 52 | 29% | 0.285 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59 | -46.1 | 172.4 | -68.8 | -179.3 | -134.5 | 0 | 0 | 111.1 | I50 R53 E93 L94 A99 A100 V101 | I50-E97 HydrophobicContact CD1-CB 4.01Å; I50-E97 HydrophobicContact CG1-CB 4.39Å; R53-E97 IonicContact CZ-OE1 3.58Å; R53-E97 IonicContact CZ-OE2 2.63Å; R53-E97 IonicContact NH1-OE1 2.68Å; R53-E97 IonicContact NH1-OE2 3.54Å; R53-E97 PolarHBondContact NH1-OE2 3.42Å; R53-E97 IonicContact NH2-OE1 3.69Å; R53-E97 PolarHBondContact NH2-OE1 3.36Å; R53-E97 IonicContact NH2-OE2 2.66Å; R53-E97 PolarHBondContact NH2-OE2 2.93Å; E93-E97 PolarHBondContact O-N 3.12Å; L94-E97 PolarHBondContact O-N 3.14Å; E97-A99 VanDerWaalsContact C-N 3.31Å; E97-A99 PolarHBondContact O-N 3.05Å; E97-A100 WeakPolarHBondContact O-CB 3.37Å; E97-A100 PolarHBondContact O-N 3.36Å; E97-V101 WeakPolarHBondContact O-CG2 3.37Å; E97-V101 PolarHBondContact O-N 3.29Å |
| 98 | L | 93.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 176.1 | -179.4 | 62 | 0 | 0 | 0 | 111.7 | M47 I50 L94 G96 A100 V101 L102 P174 L176 V179 M182 | M47-L98 HydrophobicContact CG-CD1 4.27Å; I50-L98 HydrophobicContact CD1-CB 4.32Å; I50-L98 HydrophobicContact CG2-CB 4.28Å; L94-L98 WeakPolarHBondContact O-CB 3.08Å; L94-L98 PolarHBondContact O-N 3.17Å; G96-L98 VanDerWaalsContact C-N 3.34Å; L98-A100 VanDerWaalsContact C-N 3.3Å; L98-A100 PolarHBondContact O-N 3.09Å; L98-V101 PolarHBondContact O-N 2.96Å; L98-L102 HydrophobicContact CD1-CD1 3.89Å; L98-L102 HydrophobicContact CD1-CD2 4.45Å; L98-L102 HydrophobicContact CD1-CG 3.95Å; L98-L102 HydrophobicContact CD2-CD1 4.27Å; L98-L102 HydrophobicContact CG-CD1 3.66Å; L98-L102 HydrophobicContact CG-CG 4.18Å; L98-L102 WeakPolarHBondContact O-CB 3.38Å; L98-L102 WeakPolarHBondContact O-CG 3.47Å; L98-L102 PolarHBondContact O-N 2.83Å; L98-P174 HydrophobicContact CD2-CB 4.48Å; L98-P174 HydrophobicContact CG-CB 4.4Å; L98-L176 HydrophobicContact CB-CD2 4.49Å; L98-L176 HydrophobicContact CD2-CD2 3.98Å; L98-L176 HydrophobicContact CD2-CG 4.45Å; L98-V179 HydrophobicContact CD1-CG2 4.02Å; L98-V179 HydrophobicContact CD2-CG2 3.59Å; L98-V179 HydrophobicContact CG-CG2 4.46Å; L98-M182 HydrophobicContact CD1-CE 4.34Å; L98-M182 HydrophobicContact CD2-CE 4.14Å |
| 99 | A | 95.3 | Very high | 89.8 | Confident | 39 Ų | 39 | 45.5 Ų | 45.5 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q95 G96 E97 S103 P174 | Q95-A99 WeakPolarHBondContact O-CB 3.38Å; Q95-A99 PolarHBondContact O-N 2.85Å; G96-A99 WeakPolarHBondContact O-CB 3.05Å; G96-A99 PolarHBondContact O-N 2.81Å; E97-A99 VanDerWaalsContact C-N 3.31Å; E97-A99 PolarHBondContact O-N 3.05Å; A99-S103 WeakPolarHBondContact O-CB 3.34Å; A99-S103 PolarHBondContact O-N 3Å; A99-P174 HydrophobicContact CB-CB 3.73Å; A99-P174 HydrophobicContact CB-CG 4.09Å |
| 100 | A | 96.4 | Very high | 90.7 | Very high | 57 Ų | 57 | 49.6 Ų | 49.6 | 47% | 0.471 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.2 | -48.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G96 E97 L98 L102 S103 D104 | G96-A100 PolarHBondContact O-N 3.49Å; G96-A100 VanDerWaalsContact O-N 3.09Å; E97-A100 WeakPolarHBondContact O-CB 3.37Å; E97-A100 PolarHBondContact O-N 3.36Å; L98-A100 VanDerWaalsContact C-N 3.3Å; L98-A100 PolarHBondContact O-N 3.09Å; A100-L102 PolarHBondContact O-N 3.11Å; A100-S103 WeakPolarHBondContact O-CB 3.47Å; A100-S103 PolarHBondContact O-N 3.36Å; A100-D104 PolarHBondContact O-N 2.99Å; A100-D104 VanDerWaalsContact O-N 3.15Å |
| 101 | V | 95.9 | Very high | 91.6 | Very high | 6 Ų | 6 | 50.7 Ų | 50.7 | 4% | 0.036 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58 | -47.4 | 177.2 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | E43 M46 M47 I50 E97 L98 S103 D104 T105 | E43-V101 HydrophobicContact CB-CG1 3.93Å; E43-V101 HydrophobicContact CG-CG1 4.18Å; M46-V101 HydrophobicContact CB-CG1 4.34Å; M46-V101 HydrophobicContact CB-CG2 3.99Å; M46-V101 HydrophobicContact CE-CG2 3.58Å; M46-V101 HydrophobicContact SD-CG2 4.23Å; M47-V101 HydrophobicContact CE-CG1 3.87Å; M47-V101 HydrophobicContact CG-CG1 3.86Å; I50-V101 HydrophobicContact CD1-CG2 3.99Å; E97-V101 WeakPolarHBondContact O-CG2 3.37Å; E97-V101 PolarHBondContact O-N 3.29Å; L98-V101 PolarHBondContact O-N 2.96Å; V101-S103 VanDerWaalsContact C-N 3.3Å; V101-S103 PolarHBondContact O-N 3.39Å; V101-D104 PolarHBondContact O-N 2.96Å; V101-T105 PolarHBondContact O-N 3.32Å; V101-T105 PolarHBondContact O-OG1 3.48Å |
| 102 | L | 93.9 | Very high | 92.4 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.3 | -31.8 | -180 | -67.2 | 169.6 | 0 | 0 | 0 | 112.5 | M47 L98 A100 T105 L106 F172 L173 P174 M182 | M47-L102 HydrophobicContact CE-CD2 3.38Å; M47-L102 HydrophobicContact CE-CG 4.29Å; M47-L102 HydrophobicContact SD-CD2 4.21Å; L98-L102 HydrophobicContact CD1-CD1 3.89Å; L98-L102 HydrophobicContact CD1-CD2 4.45Å; L98-L102 HydrophobicContact CD1-CG 3.95Å; L98-L102 HydrophobicContact CD2-CD1 4.27Å; L98-L102 HydrophobicContact CG-CD1 3.66Å; L98-L102 HydrophobicContact CG-CG 4.18Å; L98-L102 WeakPolarHBondContact O-CB 3.38Å; L98-L102 WeakPolarHBondContact O-CG 3.47Å; L98-L102 PolarHBondContact O-N 2.83Å; A100-L102 PolarHBondContact O-N 3.11Å; L102-T105 PolarHBondContact O-N 3.46Å; L102-L106 WeakPolarHBondContact O-CB 3.48Å; L102-L106 WeakPolarHBondContact O-CG 3.24Å; L102-L106 PolarHBondContact O-N 3.28Å; L102-F172 HydrophobicContact CD2-CB 3.89Å; L102-F172 HydrophobicContact CD2-CD1 3.69Å; L102-F172 HydrophobicContact CD2-CG 4.26Å; L102-L173 VanDerWaalsContact CD1-C 3.49Å; L102-P174 VanDerWaalsContact CD1-CA 3.48Å; L102-P174 HydrophobicContact CD1-CB 3.99Å; L102-M182 HydrophobicContact CD1-CE 4.11Å; L102-M182 HydrophobicContact CD1-SD 4.03Å; L102-M182 HydrophobicContact CD2-CE 4.3Å; L102-M182 HydrophobicContact CD2-SD 3.8Å |
| 103 | S | 95.6 | Very high | 92.9 | Very high | 71 Ų | 71 | 48.2 Ų | 48.2 | 50% | 0.497 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 173.4 | -175.6 | 0 | 0 | 0 | 0 | 111.2 | A99 A100 V101 L106 D107 | A99-S103 WeakPolarHBondContact O-CB 3.34Å; A99-S103 PolarHBondContact O-N 3Å; A100-S103 WeakPolarHBondContact O-CB 3.47Å; A100-S103 PolarHBondContact O-N 3.36Å; V101-S103 VanDerWaalsContact C-N 3.3Å; V101-S103 PolarHBondContact O-N 3.39Å; S103-L106 PolarHBondContact O-N 2.95Å; S103-D107 PolarHBondContact O-N 3.21Å; S103-D107 VanDerWaalsContact O-N 3.08Å |
| 104 | D | 94.9 | Very high | 93.2 | Very high | 95 Ų | 95 | 46.3 Ų | 46.3 | 51% | 0.508 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.3 | -37.7 | 177.4 | -68 | -21.2 | 0 | 0 | 0 | 111.5 | R40 E43 A100 V101 D107 G108 | R40-D104 PolarHBondContact NH2-O 3.02Å; R40-D104 VanDerWaalsContact NH2-O 3.16Å; E43-D104 WeakPolarHBondContact OE1-CB 3.49Å; A100-D104 PolarHBondContact O-N 2.99Å; A100-D104 VanDerWaalsContact O-N 3.15Å; V101-D104 PolarHBondContact O-N 2.96Å; D104-D107 PolarHBondContact O-N 3.29Å; D104-G108 PolarHBondContact O-N 2.74Å |
| 105 | T | 93.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.2 | -46.5 | 171.9 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | E43 M47 V101 L102 G108 L109 L186 | E43-T105 WeakPolarHBondContact OE2-CA 3.23Å; E43-T105 WeakPolarHBondContact OE2-CB 3.41Å; E43-T105 PolarHBondContact OE2-N 3.03Å; E43-T105 PolarHBondContact OE2-OG1 3.18Å; M47-T105 HydrophobicContact CE-CG2 4.29Å; M47-T105 WeakPolarHBondContact CE-OG1 2.9Å; V101-T105 PolarHBondContact O-N 3.32Å; V101-T105 PolarHBondContact O-OG1 3.48Å; L102-T105 PolarHBondContact O-N 3.46Å; T105-G108 CarbonylContact O-C 3.59Å; T105-G108 WeakPolarHBondContact O-CA 3.34Å; T105-G108 PolarHBondContact O-N 3.3Å; T105-L109 HydrophobicContact CG2-CD1 4.02Å; T105-L109 HydrophobicContact CG2-CG 4.31Å; T105-L109 WeakPolarHBondContact O-CG 3.4Å; T105-L109 PolarHBondContact O-N 2.92Å; T105-L186 HydrophobicContact CG2-CD1 3.83Å; T105-L186 HydrophobicContact CG2-CD2 4.03Å |
| 106 | L | 94.5 | Very high | 93.9 | Very high | 52 Ų | 52 | 42.4 Ų | 42.4 | 27% | 0.272 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | -179.6 | -75.1 | 170 | 0 | 0 | 0 | 112.4 | L102 S103 G108 L109 Q110 A168 F172 | L102-L106 WeakPolarHBondContact O-CB 3.48Å; L102-L106 WeakPolarHBondContact O-CG 3.24Å; L102-L106 PolarHBondContact O-N 3.28Å; S103-L106 PolarHBondContact O-N 2.95Å; L106-G108 PolarHBondContact O-N 3.3Å; L106-L109 PolarHBondContact O-N 2.75Å; L106-Q110 WeakPolarHBondContact O-CB 3.43Å; L106-Q110 PolarHBondContact O-N 3.25Å; L106-A168 HydrophobicContact CD2-CB 3.91Å; L106-A168 WeakPolarHBondContact CD2-O 3.46Å; L106-F172 HydrophobicContact CD2-CB 4.18Å; L106-F172 HydrophobicContact CG-CB 4.42Å |
| 107 | D | 93.6 | Very high | 94.1 | Very high | 77 Ų | 77 | 42.8 Ų | 42.8 | 41% | 0.412 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60 | -39.9 | 172.5 | -180 | 75.2 | 0 | 0 | 0 | 111.3 | S103 D104 Q110 K111 | S103-D107 PolarHBondContact O-N 3.21Å; S103-D107 VanDerWaalsContact O-N 3.08Å; D104-D107 PolarHBondContact O-N 3.29Å; D107-Q110 PolarHBondContact O-N 3.28Å; D107-K111 PolarHBondContact O-N 3.05Å; D107-K111 IonicContact OD2-NZ 3.82Å; D107-K111 PolarHBondContact OD2-NZ 3.19Å |
| 108 | G | 93.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.5 | -50.4 | 172 | 0 | 0 | 0 | 0 | 0 | 114.5 | W36 D104 T105 L106 Q110 K111 L112 | W36-G108 PolarHBondContact NE1-O 3.08Å; D104-G108 PolarHBondContact O-N 2.74Å; T105-G108 CarbonylContact O-C 3.59Å; T105-G108 WeakPolarHBondContact O-CA 3.34Å; T105-G108 PolarHBondContact O-N 3.3Å; L106-G108 PolarHBondContact O-N 3.3Å; G108-Q110 VanDerWaalsContact C-N 3.29Å; G108-Q110 PolarHBondContact O-N 2.61Å; G108-K111 PolarHBondContact O-N 3.29Å; G108-L112 PolarHBondContact O-N 3.44Å |
| 109 | L | 93.4 | Very high | 94.2 | Very high | 18 Ų | 18 | 40 Ų | 40 | 9% | 0.094 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.7 | -29 | 179.2 | -68 | 176.5 | 0 | 0 | 0 | 111.8 | W36 T105 L106 L112 A113 A168 F172 | W36-L109 HydrophobicContact CZ2-CD2 4.3Å; T105-L109 HydrophobicContact CG2-CD1 4.02Å; T105-L109 HydrophobicContact CG2-CG 4.31Å; T105-L109 WeakPolarHBondContact O-CG 3.4Å; T105-L109 PolarHBondContact O-N 2.92Å; L106-L109 PolarHBondContact O-N 2.75Å; L109-L112 HydrophobicContact CD2-CD2 4.26Å; L109-L112 WeakPolarHBondContact O-CB 3.35Å; L109-L112 PolarHBondContact O-N 2.92Å; L109-A113 PolarHBondContact O-N 3.21Å; L109-A168 HydrophobicContact CD1-CB 3.92Å; L109-F172 HydrophobicContact CD1-CD2 3.97Å; L109-F172 HydrophobicContact CD1-CE2 3.6Å; L109-F172 HydrophobicContact CD1-CZ 4.25Å |
| 110 | Q | 93.1 | Very high | 94.2 | Very high | 131 Ų | 131 | 38.9 Ų | 38.9 | 61% | 0.612 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -64.5 | -41.3 | 173.5 | -174.2 | 176.5 | 2 | 0 | 0 | 111.9 | L106 D107 G108 L112 A113 C114 | L106-Q110 WeakPolarHBondContact O-CB 3.43Å; L106-Q110 PolarHBondContact O-N 3.25Å; D107-Q110 PolarHBondContact O-N 3.28Å; G108-Q110 VanDerWaalsContact C-N 3.29Å; G108-Q110 PolarHBondContact O-N 2.61Å; Q110-L112 VanDerWaalsContact C-N 3.31Å; Q110-L112 PolarHBondContact O-N 3.48Å; Q110-A113 WeakPolarHBondContact O-CB 3.45Å; Q110-A113 PolarHBondContact O-N 2.88Å; Q110-A113 VanDerWaalsContact O-N 3.15Å; Q110-C114 PolarHBondContact O-N 3.39Å |
| 111 | K | 90.9 | Very high | 94.2 | Very high | 100 Ų | 100 | 38.9 Ų | 38.9 | 44% | 0.435 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.9 | -41 | 173.5 | -71.1 | 165.9 | 177.9 | 141.6 | 0 | 111.7 | D107 G108 A113 C114 F115 | D107-K111 PolarHBondContact O-N 3.05Å; D107-K111 IonicContact OD2-NZ 3.82Å; D107-K111 PolarHBondContact OD2-NZ 3.19Å; G108-K111 PolarHBondContact O-N 3.29Å; K111-A113 VanDerWaalsContact C-N 3.33Å; K111-C114 PolarHBondContact O-N 3.22Å; K111-F115 PolarHBondContact O-N 2.81Å |
| 112 | L | 93.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63 | -39.5 | 173.4 | 178.3 | 67.5 | 0 | 0 | 0 | 111.2 | F29 W36 G108 L109 Q110 C114 F115 L116 F164 A193 | F29-L112 HydrophobicContact CE1-CD1 3.63Å; F29-L112 HydrophobicContact CE2-CB 4.29Å; F29-L112 HydrophobicContact CE2-CD1 4.3Å; F29-L112 HydrophobicContact CZ-CB 4.09Å; F29-L112 HydrophobicContact CZ-CD1 3.42Å; F29-L112 VanDerWaalsContact CZ-CD1 3.42Å; F29-L112 HydrophobicContact CZ-CG 4.36Å; W36-L112 HydrophobicContact CH2-CD2 3.86Å; W36-L112 HydrophobicContact CZ2-CB 3.89Å; W36-L112 HydrophobicContact CZ2-CD2 3.81Å; W36-L112 HydrophobicContact CZ2-CG 4.32Å; G108-L112 PolarHBondContact O-N 3.44Å; L109-L112 HydrophobicContact CD2-CD2 4.26Å; L109-L112 WeakPolarHBondContact O-CB 3.35Å; L109-L112 PolarHBondContact O-N 2.92Å; Q110-L112 VanDerWaalsContact C-N 3.31Å; Q110-L112 PolarHBondContact O-N 3.48Å; L112-C114 VanDerWaalsContact C-N 3.31Å; L112-C114 PolarHBondContact O-N 3.38Å; L112-F115 HydrophobicContact CD1-CD1 3.83Å; L112-F115 WeakPolarHBondContact O-CA 3.08Å; L112-F115 VanDerWaalsContact O-CB 3.3Å; L112-F115 WeakPolarHBondContact O-CB 3.24Å; L112-F115 PolarHBondContact O-N 3.45Å; L112-F115 VanDerWaalsContact O-N 3.08Å; L112-L116 HydrophobicContact CD1-CD1 4.42Å; L112-L116 HydrophobicContact CD1-CD2 4.29Å; L112-L116 HydrophobicContact CD1-CG 4.18Å; L112-L116 HydrophobicContact CD2-CD1 4.28Å; L112-L116 HydrophobicContact CG-CD1 3.83Å; L112-L116 HydrophobicContact CG-CG 4.07Å; L112-L116 VanDerWaalsContact O-CG 3.29Å; L112-L116 WeakPolarHBondContact O-CG 3.46Å; L112-L116 PolarHBondContact O-N 2.81Å; L112-F164 HydrophobicContact CD2-CD1 3.85Å; L112-F164 HydrophobicContact CD2-CE1 3.48Å; L112-F164 VanDerWaalsContact CD2-CE1 3.48Å; L112-F164 HydrophobicContact CD2-CZ 4.17Å; L112-A193 HydrophobicContact CD1-CB 4.06Å; L112-A193 HydrophobicContact CD2-CB 4.37Å |
| 113 | A | 93.5 | Very high | 94.1 | Very high | 51 Ų | 51 | 38.5 Ų | 38.5 | 42% | 0.421 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.9 | -38 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | L109 Q110 K111 F115 L116 D117 | L109-A113 PolarHBondContact O-N 3.21Å; Q110-A113 WeakPolarHBondContact O-CB 3.45Å; Q110-A113 PolarHBondContact O-N 2.88Å; Q110-A113 VanDerWaalsContact O-N 3.15Å; K111-A113 VanDerWaalsContact C-N 3.33Å; A113-F115 VanDerWaalsContact C-N 3.34Å; A113-L116 PolarHBondContact O-N 2.79Å; A113-D117 WeakPolarHBondContact O-CB 3.44Å; A113-D117 PolarHBondContact O-N 2.84Å |
| 114 | C | 92.8 | Very high | 94.1 | Very high | 73 Ų | 73 | 35.1 Ų | 35.1 | 49% | 0.493 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 174 | -65.2 | 0 | 0 | 0 | 0 | 112.3 | Q110 K111 L112 A118 | Q110-C114 PolarHBondContact O-N 3.39Å; K111-C114 PolarHBondContact O-N 3.22Å; L112-C114 VanDerWaalsContact C-N 3.31Å; L112-C114 PolarHBondContact O-N 3.38Å; C114-A118 PolarHBondContact O-N 3.36Å; C114-A118 VanDerWaalsContact O-N 3.13Å |
| 115 | F | 94.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.009 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.2 | -47.9 | 174.3 | 165.6 | -104.4 | 0 | 0 | 0 | 111.7 | A26 F29 K111 L112 A113 D117 A118 V119 I196 M200 | A26-F115 HydrophobicContact CB-CD2 4.36Å; A26-F115 HydrophobicContact CB-CE2 4.13Å; F29-F115 HydrophobicContact CB-CB 3.85Å; F29-F115 HydrophobicContact CB-CD2 3.55Å; F29-F115 HydrophobicContact CB-CE2 4.34Å; F29-F115 HydrophobicContact CB-CG 3.89Å; F29-F115 HydrophobicContact CD1-CB 3.81Å; F29-F115 AromaticContact CD1-CD1 3.66Å; F29-F115 HydrophobicContact CD1-CD1 3.66Å; F29-F115 AromaticContact CD1-CD2 3.6Å; F29-F115 HydrophobicContact CD1-CD2 3.6Å; F29-F115 HydrophobicContact CD1-CE1 4.06Å; F29-F115 HydrophobicContact CD1-CE2 4.04Å; F29-F115 AromaticContact CD1-CG 3.39Å; F29-F115 HydrophobicContact CD1-CG 3.39Å; F29-F115 HydrophobicContact CD1-CZ 4.24Å; F29-F115 HydrophobicContact CD2-CB 3.9Å; F29-F115 HydrophobicContact CD2-CG 4.4Å; F29-F115 HydrophobicContact CE1-CB 4.37Å; F29-F115 AromaticContact CE1-CD1 3.86Å; F29-F115 HydrophobicContact CE1-CD1 3.86Å; F29-F115 HydrophobicContact CE1-CE1 4.27Å; F29-F115 HydrophobicContact CE1-CG 4.02Å; F29-F115 HydrophobicContact CE2-CB 4.46Å; F29-F115 HydrophobicContact CG-CB 3.55Å; F29-F115 HydrophobicContact CG-CD1 4.31Å; F29-F115 AromaticContact CG-CD2 3.77Å; F29-F115 HydrophobicContact CG-CD2 3.77Å; F29-F115 AromaticContact CG-CG 3.62Å; F29-F115 HydrophobicContact CG-CG 3.62Å; K111-F115 PolarHBondContact O-N 2.81Å; L112-F115 HydrophobicContact CD1-CD1 3.83Å; L112-F115 WeakPolarHBondContact O-CA 3.08Å; L112-F115 VanDerWaalsContact O-CB 3.3Å; L112-F115 WeakPolarHBondContact O-CB 3.24Å; L112-F115 PolarHBondContact O-N 3.45Å; L112-F115 VanDerWaalsContact O-N 3.08Å; A113-F115 VanDerWaalsContact C-N 3.34Å; F115-D117 PolarHBondContact O-N 3.26Å; F115-A118 WeakPolarHBondContact O-CB 3.2Å; F115-A118 PolarHBondContact O-N 3.34Å; F115-V119 HydrophobicContact CD2-CG2 4.33Å; F115-V119 HydrophobicContact CE1-CG2 4.19Å; F115-V119 HydrophobicContact CE2-CG2 3.87Å; F115-V119 HydrophobicContact CZ-CG2 3.8Å; F115-V119 WeakPolarHBondContact O-CG2 3.32Å; F115-V119 PolarHBondContact O-N 2.84Å; F115-I196 HydrophobicContact CE1-CG2 3.57Å; F115-I196 HydrophobicContact CZ-CG2 3.66Å; F115-M200 HydrophobicContact CE2-CE 4.03Å; F115-M200 HydrophobicContact CE2-SD 4.06Å; F115-M200 HydrophobicContact CZ-CE 4.33Å; F115-M200 HydrophobicContact CZ-SD 3.74Å |
| 116 | L | 94.9 | Very high | 94.1 | Very high | 11 Ų | 11 | 30.7 Ų | 30.7 | 6% | 0.058 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.4 | -42.1 | -179.7 | -61 | 170 | 0 | 0 | 0 | 111.6 | L112 A113 A118 V119 E120 L161 F164 I196 | L112-L116 HydrophobicContact CD1-CD1 4.42Å; L112-L116 HydrophobicContact CD1-CD2 4.29Å; L112-L116 HydrophobicContact CD1-CG 4.18Å; L112-L116 HydrophobicContact CD2-CD1 4.28Å; L112-L116 HydrophobicContact CG-CD1 3.83Å; L112-L116 HydrophobicContact CG-CG 4.07Å; L112-L116 VanDerWaalsContact O-CG 3.29Å; L112-L116 WeakPolarHBondContact O-CG 3.46Å; L112-L116 PolarHBondContact O-N 2.81Å; A113-L116 PolarHBondContact O-N 2.79Å; L116-A118 VanDerWaalsContact C-N 3.31Å; L116-A118 PolarHBondContact O-N 3.38Å; L116-V119 PolarHBondContact O-N 3.39Å; L116-V119 VanDerWaalsContact O-N 3.13Å; L116-E120 WeakPolarHBondContact O-CG 3.32Å; L116-E120 PolarHBondContact O-N 2.97Å; L116-L161 HydrophobicContact CB-CD2 4.44Å; L116-L161 HydrophobicContact CD2-CD1 4.45Å; L116-L161 HydrophobicContact CD2-CG 3.99Å; L116-F164 HydrophobicContact CD1-CB 3.44Å; L116-F164 VanDerWaalsContact CD1-CB 3.44Å; L116-F164 HydrophobicContact CD1-CD1 3.85Å; L116-F164 HydrophobicContact CD1-CD2 3.54Å; L116-F164 HydrophobicContact CD1-CE1 4.48Å; L116-F164 HydrophobicContact CD1-CE2 4.22Å; L116-F164 HydrophobicContact CD1-CG 3.32Å; L116-F164 HydrophobicContact CD2-CD2 3.78Å; L116-F164 HydrophobicContact CD2-CE2 3.86Å; L116-F164 HydrophobicContact CD2-CG 4.42Å; L116-F164 HydrophobicContact CG-CD2 4.33Å; L116-I196 HydrophobicContact CD2-CD1 4.28Å |
| 117 | D | 95.2 | Very high | 94 | Very high | 51 Ų | 51 | 30 Ų | 30 | 27% | 0.273 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.4 | -39.1 | 175.5 | -178.2 | 71.1 | 0 | 0 | 0 | 112.1 | A113 F115 E120 K121 R249 | A113-D117 WeakPolarHBondContact O-CB 3.44Å; A113-D117 PolarHBondContact O-N 2.84Å; F115-D117 PolarHBondContact O-N 3.26Å; D117-E120 PolarHBondContact O-N 3.47Å; D117-K121 WeakPolarHBondContact O-CG 3.35Å; D117-K121 PolarHBondContact O-N 3.19Å; D117-K121 WeakPolarHBondContact OD2-CE 3.49Å; D117-K121 IonicContact OD2-NZ 3.39Å; D117-K121 PolarHBondContact OD2-NZ 3.45Å; D117-R249 IonicContact OD1-CZ 2.67Å; D117-R249 IonicContact OD1-NH1 2.93Å; D117-R249 PolarHBondContact OD1-NH1 2.79Å; D117-R249 IonicContact OD1-NH2 3.75Å |
| 118 | A | 95 | Very high | 93.8 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.3 | -43.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | C22 L25 C114 F115 L116 K121 L122 | C22-A118 HydrophobicContact CB-CB 3.96Å; L25-A118 HydrophobicContact CB-CB 4.22Å; C114-A118 PolarHBondContact O-N 3.36Å; C114-A118 VanDerWaalsContact O-N 3.13Å; F115-A118 WeakPolarHBondContact O-CB 3.2Å; F115-A118 PolarHBondContact O-N 3.34Å; L116-A118 VanDerWaalsContact C-N 3.31Å; L116-A118 PolarHBondContact O-N 3.38Å; A118-K121 PolarHBondContact O-N 2.93Å; A118-L122 WeakPolarHBondContact O-CB 3.22Å; A118-L122 VanDerWaalsContact O-CG 3.23Å; A118-L122 WeakPolarHBondContact O-CG 3.43Å; A118-L122 PolarHBondContact O-N 3.36Å |
| 119 | V | 94.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 176.3 | 175 | 0 | 0 | 0 | 0 | 111.7 | F115 L116 K121 L122 A123 A154 I157 L161 M200 | F115-V119 HydrophobicContact CD2-CG2 4.33Å; F115-V119 HydrophobicContact CE1-CG2 4.19Å; F115-V119 HydrophobicContact CE2-CG2 3.87Å; F115-V119 HydrophobicContact CZ-CG2 3.8Å; F115-V119 WeakPolarHBondContact O-CG2 3.32Å; F115-V119 PolarHBondContact O-N 2.84Å; L116-V119 PolarHBondContact O-N 3.39Å; L116-V119 VanDerWaalsContact O-N 3.13Å; V119-K121 PolarHBondContact O-N 3.25Å; V119-L122 PolarHBondContact O-N 2.94Å; V119-A123 WeakPolarHBondContact O-CB 3.45Å; V119-A123 PolarHBondContact O-N 3.08Å; V119-A154 HydrophobicContact CG1-CB 4.23Å; V119-I157 HydrophobicContact CG1-CD1 4.11Å; V119-I157 HydrophobicContact CG1-CG1 4.1Å; V119-L161 HydrophobicContact CB-CD2 4.28Å; V119-L161 HydrophobicContact CG1-CD1 4.24Å; V119-L161 HydrophobicContact CG1-CD2 4.08Å; V119-M200 HydrophobicContact CG2-CE 3.99Å; V119-M200 HydrophobicContact CG2-SD 3.6Å |
| 120 | E | 95.5 | Very high | 93.5 | Very high | 16 Ų | 16 | 28.1 Ų | 28.1 | 8% | 0.075 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.1 | -43.5 | 176 | -65.8 | -176.7 | -167.8 | 0 | 0 | 111.8 | L116 D117 L122 A123 V124 L161 K165 R249 L253 | L116-E120 WeakPolarHBondContact O-CG 3.32Å; L116-E120 PolarHBondContact O-N 2.97Å; D117-E120 PolarHBondContact O-N 3.47Å; E120-L122 VanDerWaalsContact C-N 3.34Å; E120-A123 WeakPolarHBondContact O-CB 3.46Å; E120-A123 PolarHBondContact O-N 3.38Å; E120-V124 PolarHBondContact O-N 3.27Å; E120-L161 HydrophobicContact CB-CD2 4.48Å; E120-L161 HydrophobicContact CG-CD2 3.32Å; E120-K165 VanDerWaalsContact CD-NZ 3.29Å; E120-K165 WeakPolarHBondContact OE1-CE 3.5Å; E120-K165 IonicContact OE1-NZ 2.64Å; E120-K165 PolarHBondContact OE1-NZ 2.88Å; E120-K165 IonicContact OE2-NZ 2.78Å; E120-K165 PolarHBondContact OE2-NZ 3.32Å; E120-R249 IonicContact OE2-CZ 3.68Å; E120-R249 IonicContact OE2-NE 2.87Å; E120-R249 IonicContact OE2-NH1 3.74Å; E120-R249 PolarHBondContact OE2-NH1 3.1Å; E120-L253 HydrophobicContact CG-CD2 4.44Å |
| 121 | K | 95.9 | Very high | 93.1 | Very high | 57 Ų | 57 | 23.5 Ų | 23.5 | 25% | 0.248 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64 | -40.1 | 177 | -75 | 170.3 | 175.4 | 163.5 | 0 | 111.8 | D117 A118 V119 V124 T125 R243 | D117-K121 WeakPolarHBondContact O-CG 3.35Å; D117-K121 PolarHBondContact O-N 3.19Å; D117-K121 WeakPolarHBondContact OD2-CE 3.49Å; D117-K121 IonicContact OD2-NZ 3.39Å; D117-K121 PolarHBondContact OD2-NZ 3.45Å; A118-K121 PolarHBondContact O-N 2.93Å; V119-K121 PolarHBondContact O-N 3.25Å; K121-V124 PolarHBondContact O-N 2.68Å; K121-T125 PolarHBondContact O-N 3.32Å; K121-T125 PolarHBondContact O-OG1 2.9Å; K121-R243 HydrophobicContact CB-CG 4.02Å; K121-R243 HydrophobicContact CG-CG 4.19Å |
| 122 | L | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 174.6 | -72.7 | 166.8 | 0 | 0 | 0 | 111.1 | T19 C22 M23 A26 A118 V119 E120 V124 T125 V150 V151 A154 | T19-L122 HydrophobicContact CG2-CD2 4.01Å; C22-L122 HydrophobicContact CB-CD1 4.1Å; C22-L122 HydrophobicContact CB-CD2 3.95Å; C22-L122 HydrophobicContact CB-CG 3.75Å; M23-L122 HydrophobicContact CG-CD1 4.46Å; M23-L122 HydrophobicContact CG-CD2 3.71Å; A26-L122 HydrophobicContact CB-CD1 4.33Å; A118-L122 WeakPolarHBondContact O-CB 3.22Å; A118-L122 VanDerWaalsContact O-CG 3.23Å; A118-L122 WeakPolarHBondContact O-CG 3.43Å; A118-L122 PolarHBondContact O-N 3.36Å; V119-L122 PolarHBondContact O-N 2.94Å; E120-L122 VanDerWaalsContact C-N 3.34Å; L122-V124 VanDerWaalsContact C-N 3.3Å; L122-V124 PolarHBondContact O-N 2.76Å; L122-T125 VanDerWaalsContact O-CB 3.28Å; L122-T125 WeakPolarHBondContact O-CB 3.42Å; L122-T125 PolarHBondContact O-N 2.89Å; L122-T125 VanDerWaalsContact O-N 3.07Å; L122-T125 PolarHBondContact O-OG1 2.7Å; L122-V150 HydrophobicContact CD1-CG1 4.04Å; L122-V150 HydrophobicContact CD2-CG1 4.49Å; L122-V151 HydrophobicContact CD2-CG2 4.43Å; L122-V151 WeakPolarHBondContact O-CG1 3.2Å; L122-A154 HydrophobicContact CB-CB 3.6Å |
| 123 | A | 93.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.4 | -41.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V119 E120 T125 A154 R155 C158 F252 | V119-A123 WeakPolarHBondContact O-CB 3.45Å; V119-A123 PolarHBondContact O-N 3.08Å; E120-A123 WeakPolarHBondContact O-CB 3.46Å; E120-A123 PolarHBondContact O-N 3.38Å; A123-T125 VanDerWaalsContact C-N 3.32Å; A123-T125 PolarHBondContact O-N 3.23Å; A123-A154 HydrophobicContact CB-CB 4.33Å; A123-R155 HydrophobicContact CB-CG 4.36Å; A123-R155 WeakPolarHBondContact O-CG 3.27Å; A123-R155 PolarHBondContact O-NE 3.42Å; A123-R155 VanDerWaalsContact O-NE 3.1Å; A123-C158 HydrophobicContact CB-CB 3.88Å; A123-F252 HydrophobicContact CB-CD1 4.18Å; A123-F252 HydrophobicContact CB-CE1 3.98Å |
| 124 | V | 94.9 | Very high | 90 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 19.1 | 178.3 | -55.5 | 0 | 0 | 0 | 0 | 113.6 | E120 K121 L122 R243 F248 R249 F252 L550 | E120-V124 PolarHBondContact O-N 3.27Å; K121-V124 PolarHBondContact O-N 2.68Å; L122-V124 VanDerWaalsContact C-N 3.3Å; L122-V124 PolarHBondContact O-N 2.76Å; V124-R243 HydrophobicContact CG2-CB 4.26Å; V124-R243 HydrophobicContact CG2-CG 3.91Å; V124-F248 HydrophobicContact CB-CE1 4.12Å; V124-F248 HydrophobicContact CG1-CD1 4.12Å; V124-F248 HydrophobicContact CG1-CE1 3.8Å; V124-R249 HydrophobicContact CG1-CG 4.28Å; V124-R249 HydrophobicContact CG2-CG 4.04Å; V124-F252 HydrophobicContact CG1-CB 3.96Å; V124-F252 HydrophobicContact CG1-CD1 3.86Å; V124-F252 HydrophobicContact CG1-CD2 3.95Å; V124-F252 HydrophobicContact CG1-CE1 4.36Å; V124-F252 HydrophobicContact CG1-CE2 4.43Å; V124-F252 HydrophobicContact CG1-CG 3.64Å; V124-L550 VanDerWaalsContact O-CD2 3.24Å; V124-L550 WeakPolarHBondContact O-CD2 3.37Å |
| 125 | T | 95.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -82 | 138.5 | 171.8 | -65.1 | 0 | 0 | 0 | 0 | 109.9 | Y15 T19 K121 L122 A123 F130 V151 R155 | Y15-T125 HydrophobicContact CE1-CG2 4.1Å; T19-T125 HydrophobicContact CG2-CG2 3.94Å; K121-T125 PolarHBondContact O-N 3.32Å; K121-T125 PolarHBondContact O-OG1 2.9Å; L122-T125 VanDerWaalsContact O-CB 3.28Å; L122-T125 WeakPolarHBondContact O-CB 3.42Å; L122-T125 PolarHBondContact O-N 2.89Å; L122-T125 VanDerWaalsContact O-N 3.07Å; L122-T125 PolarHBondContact O-OG1 2.7Å; A123-T125 VanDerWaalsContact C-N 3.32Å; A123-T125 PolarHBondContact O-N 3.23Å; T125-F130 HydrophobicContact CG2-CD2 4.46Å; T125-F130 HydrophobicContact CG2-CE2 3.79Å; T125-V151 HydrophobicContact CG2-CG2 4.02Å; T125-R155 PolarHBondContact O-NH2 2.76Å |
| 126 | S | 94.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -77.4 | 126.9 | 177.5 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | Y15 H128 L550 | Y15-S126 PolarHBondContact OH-N 3.13Å; Y15-S126 VanDerWaalsContact OH-N 3.09Å; S126-H128 PolarHBondContact O-N 3.29Å; S126-H128 PolarHBondContact OG-N 3.48Å; S126-L550 WeakPolarHBondContact CB-O 3.36Å; S126-L550 PolarHBondContact OG-O 3.44Å | ||
| 127 | L | 91.3 | Very high | 88 | Confident | 39 Ų | 39 | 37 Ų | 37 | 20% | 0.204 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -66.4 | -28.5 | 175.1 | -67.6 | 171 | 0 | 0 | 0 | 111.7 | V129 F130 A131 Q148 V151 | L127-V129 VanDerWaalsContact C-N 3.3Å; L127-V129 PolarHBondContact O-N 3.01Å; L127-F130 CarbonylContact O-C 3.6Å; L127-F130 WeakPolarHBondContact O-CA 3.36Å; L127-F130 PolarHBondContact O-N 3.05Å; L127-A131 PolarHBondContact O-N 3.31Å; L127-Q148 HydrophobicContact CD2-CB 3.96Å; L127-Q148 HydrophobicContact CD2-CG 4.03Å; L127-V151 HydrophobicContact CD2-CB 3.74Å; L127-V151 HydrophobicContact CD2-CG1 3.49Å; L127-V151 VanDerWaalsContact CD2-CG1 3.49Å; L127-V151 HydrophobicContact CG-CG1 4.03Å |
| 128 | H | 90.7 | Very high | 87.3 | Confident | 52 Ų | 52 | 36 Ų | 36 | 24% | 0.241 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -70.7 | -22.7 | -175.3 | -61.3 | -60.3 | 0 | 0 | 0 | 114.2 | S126 F130 A131 L550 E551 T552 F554 | S126-H128 PolarHBondContact O-N 3.29Å; S126-H128 PolarHBondContact OG-N 3.48Å; H128-F130 PolarHBondContact O-N 3.03Å; H128-A131 PolarHBondContact O-N 3.39Å; H128-L550 PolarHBondContact CD2-O 3.14Å; H128-E551 VanDerWaalsContact CD2-C 3.47Å; H128-E551 VanDerWaalsContact NE2-C 3.35Å; H128-E551 PolarHBondContact NE2-O 3.4Å; H128-E551 VanDerWaalsContact NE2-O 3.09Å; H128-T552 PolarHBondContact CD2-O 3.1Å; H128-T552 VanDerWaalsContact CD2-O 3.26Å; H128-F554 HydrophobicContact CB-CB 4.2Å |
| 129 | V | 91.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -65.3 | -29.3 | 170.9 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | L12 Y15 V16 L127 I236 L239 F554 Y555 | L12-V129 HydrophobicContact CD1-CG1 3.67Å; Y15-V129 HydrophobicContact CD1-CG1 4.03Å; Y15-V129 HydrophobicContact CD1-CG2 4.45Å; Y15-V129 HydrophobicContact CE1-CB 4.22Å; Y15-V129 HydrophobicContact CE1-CG1 4.15Å; Y15-V129 HydrophobicContact CE1-CG2 3.99Å; V16-V129 HydrophobicContact CG2-CG1 4.37Å; L127-V129 VanDerWaalsContact C-N 3.3Å; L127-V129 PolarHBondContact O-N 3.01Å; V129-I236 HydrophobicContact CG2-CD1 4.13Å; V129-L239 HydrophobicContact CG2-CD1 3.57Å; V129-F554 HydrophobicContact CG2-CB 4.23Å; V129-F554 HydrophobicContact CG2-CD1 4.3Å; V129-F554 HydrophobicContact CG2-CD2 4.15Å; V129-F554 HydrophobicContact CG2-CG 3.96Å; V129-Y555 WeakPolarHBondContact O-CE2 3.37Å; V129-Y555 PolarHBondContact O-OH 2.98Å |
| 130 | F | 88.6 | Confident | 85 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.009 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -106 | 22.7 | -179.9 | -57.2 | -84.1 | 0 | 0 | 0 | 112 | Y15 V16 T19 T125 L127 H128 L136 L138 A144 V147 Q148 | Y15-F130 HydrophobicContact CE1-CE2 4.29Å; V16-F130 HydrophobicContact CB-CE1 4.46Å; V16-F130 HydrophobicContact CG1-CE1 4.09Å; V16-F130 HydrophobicContact CG2-CE1 4Å; V16-F130 HydrophobicContact CG2-CZ 4.11Å; T19-F130 HydrophobicContact CG2-CE2 3.98Å; T19-F130 HydrophobicContact CG2-CZ 3.74Å; T125-F130 HydrophobicContact CG2-CD2 4.46Å; T125-F130 HydrophobicContact CG2-CE2 3.79Å; L127-F130 CarbonylContact O-C 3.6Å; L127-F130 WeakPolarHBondContact O-CA 3.36Å; L127-F130 PolarHBondContact O-N 3.05Å; H128-F130 PolarHBondContact O-N 3.03Å; F130-L136 HydrophobicContact CD1-CD2 4.24Å; F130-L136 HydrophobicContact CE1-CD2 4.41Å; F130-L138 HydrophobicContact CD1-CD1 4.36Å; F130-L138 HydrophobicContact CD1-CD2 4.2Å; F130-L138 HydrophobicContact CE1-CD2 4.02Å; F130-A144 WeakPolarHBondContact O-CB 3.44Å; F130-V147 HydrophobicContact CB-CB 4.5Å; F130-V147 HydrophobicContact CB-CG1 4.41Å; F130-V147 HydrophobicContact CD1-CB 4.08Å; F130-V147 HydrophobicContact CD1-CG1 3.73Å; F130-V147 HydrophobicContact CD1-CG2 4.15Å; F130-V147 HydrophobicContact CD2-CG1 3.77Å; F130-V147 HydrophobicContact CE1-CB 4.49Å; F130-V147 HydrophobicContact CE1-CG1 3.83Å; F130-V147 HydrophobicContact CE1-CG2 4.35Å; F130-V147 HydrophobicContact CE2-CG1 3.88Å; F130-V147 HydrophobicContact CG-CB 4.18Å; F130-V147 HydrophobicContact CG-CG1 3.7Å; F130-V147 HydrophobicContact CZ-CG1 3.91Å; F130-Q148 HydrophobicContact CB-CG 4.38Å; F130-Q148 PolarHBondContact O-NE2 3.26Å |
| 131 | A | 84.2 | Confident | 83.5 | Confident | 35 Ų | 35 | 44.9 Ų | 44.9 | 29% | 0.289 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -69.1 | 154 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L127 H128 N133 | L127-A131 PolarHBondContact O-N 3.31Å; H128-A131 PolarHBondContact O-N 3.39Å; A131-N133 PolarHBondContact O-N 3.26Å; A131-N133 VanDerWaalsContact O-N 3.15Å; A131-N133 PolarHBondContact O-ND2 3.36Å |
| 132 | E | 71.2 | Confident | 82.2 | Confident | 171 Ų | 171 | 42.5 Ų | 42.5 | 80% | 0.799 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -56 | 121.4 | 175.5 | -71.4 | -172.3 | 170.2 | 0 | 0 | 110.9 | ||
| 133 | N | 74.4 | Confident | 81.2 | Confident | 46 Ų | 46 | 44.1 Ų | 44.1 | 25% | 0.246 | 25% | 0.248 | C | C | . | . | trans | -156.9 | 166.5 | -179.1 | 72.7 | 85.6 | 0 | 0 | 0 | 111.8 | A131 T135 L136 Y555 | A131-N133 PolarHBondContact O-N 3.26Å; A131-N133 VanDerWaalsContact O-N 3.15Å; A131-N133 PolarHBondContact O-ND2 3.36Å; N133-T135 VanDerWaalsContact OD1-CA 3.28Å; N133-T135 WeakPolarHBondContact OD1-CA 3.44Å; N133-T135 VanDerWaalsContact OD1-CB 3.28Å; N133-T135 WeakPolarHBondContact OD1-CB 3.38Å; N133-T135 PolarHBondContact OD1-N 3.34Å; N133-L136 PolarHBondContact OD1-N 3.03Å; N133-Y555 HydrophobicContact CB-CD1 4.47Å; N133-Y555 HydrophobicContact CB-CD2 3.98Å; N133-Y555 HydrophobicContact CB-CE1 4.45Å; N133-Y555 HydrophobicContact CB-CE2 3.97Å; N133-Y555 HydrophobicContact CB-CG 4.24Å; N133-Y555 VanDerWaalsContact CG-CE2 3.41Å; N133-Y555 WeakPolarHBondContact ND2-CE2 3.19Å; N133-Y555 PolarHBondContact ND2-OH 2.84Å; N133-Y555 PolarHBondContact OD1-OH 3.48Å | ||
| 134 | Q | 68.6 | Low | 80.5 | Confident | 174 Ų | 174 | 45.3 Ų | 45.3 | 81% | 0.813 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -90.9 | -5.3 | 178 | -62.9 | -179.5 | 5 | 0 | 0 | 113.7 | ||
| 135 | T | 77.4 | Confident | 79.7 | Confident | 22 Ų | 22 | 48.8 Ų | 48.8 | 14% | 0.135 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -90 | -33.9 | -171.1 | -59.8 | 0 | 0 | 0 | 0 | 113.1 | N133 V218 N219 L220 Y555 | N133-T135 VanDerWaalsContact OD1-CA 3.28Å; N133-T135 WeakPolarHBondContact OD1-CA 3.44Å; N133-T135 VanDerWaalsContact OD1-CB 3.28Å; N133-T135 WeakPolarHBondContact OD1-CB 3.38Å; N133-T135 PolarHBondContact OD1-N 3.34Å; T135-V218 HydrophobicContact CG2-CG1 4.36Å; T135-V218 CarbonylContact O-C 3.6Å; T135-N219 WeakPolarHBondContact CA-O 3.47Å; T135-N219 PolarHBondContact O-N 3.1Å; T135-L220 HydrophobicContact CG2-CD2 3.7Å; T135-Y555 HydrophobicContact CG2-CE1 3.94Å |
| 136 | L | 81.3 | Confident | 79.1 | Confident | 15 Ų | 15 | 50.4 Ų | 50.4 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 121 | -176.9 | 178.8 | 64.9 | 0 | 0 | 0 | 110.4 | V16 F130 N133 L138 A216 V218 Y555 | V16-L136 HydrophobicContact CG1-CD1 4.44Å; V16-L136 HydrophobicContact CG2-CD1 3.88Å; V16-L136 HydrophobicContact CG2-CD2 3.72Å; V16-L136 HydrophobicContact CG2-CG 4.47Å; F130-L136 HydrophobicContact CD1-CD2 4.24Å; F130-L136 HydrophobicContact CE1-CD2 4.41Å; N133-L136 PolarHBondContact OD1-N 3.03Å; L136-L138 HydrophobicContact CD2-CD2 4.02Å; L136-L138 HydrophobicContact CG-CD2 4.19Å; L136-A216 HydrophobicContact CD1-CB 4.3Å; L136-V218 HydrophobicContact CD1-CG2 4.19Å; L136-Y555 WeakPolarHBondContact CB-OH 3.28Å |
| 137 | H | 80.6 | Confident | 78.6 | Confident | 93 Ų | 93 | 50.4 Ų | 50.4 | 43% | 0.431 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 115.4 | 167.7 | -63.2 | -78 | 0 | 0 | 0 | 109.3 | A216 Q217 N219 | H137-A216 WeakPolarHBondContact O-CA 3.31Å; H137-Q217 HydrophobicContact CB-CB 4.29Å; H137-Q217 PolarHBondContact N-O 3.41Å; H137-Q217 PolarHBondContact O-N 3.31Å; H137-N219 PolarHBondContact CD2-ND2 3.02Å; H137-N219 PolarHBondContact NE2-ND2 3.37Å |
| 138 | L | 80.2 | Confident | 78.3 | Confident | 29 Ų | 29 | 50 Ų | 50 | 15% | 0.152 | 28% | 0.282 | C | S | . | . | trans | -72 | 151.2 | 175 | -63.2 | 178.5 | 0 | 0 | 0 | 110.4 | V16 F130 L136 V142 A144 V147 | V16-L138 HydrophobicContact CG1-CD2 3.58Å; F130-L138 HydrophobicContact CD1-CD1 4.36Å; F130-L138 HydrophobicContact CD1-CD2 4.2Å; F130-L138 HydrophobicContact CE1-CD2 4.02Å; L136-L138 HydrophobicContact CD2-CD2 4.02Å; L136-L138 HydrophobicContact CG-CD2 4.19Å; L138-V142 HydrophobicContact CB-CB 4.48Å; L138-V142 WeakPolarHBondContact CB-O 3.26Å; L138-V142 HydrophobicContact CD1-CG1 4.29Å; L138-A144 HydrophobicContact CD1-CB 4.37Å; L138-V147 HydrophobicContact CD1-CG2 3.92Å | ||
| 139 | P | 72.4 | Confident | 78 | Confident | 7 Ų | 7 | 49 Ų | 49 | 5% | 0.045 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -70.1 | 143.3 | 179.6 | 28.5 | -33.5 | 0 | 0 | 0 | 111.9 | L20 V142 G214 | L20-P139 HydrophobicContact CD1-CG 3.6Å; P139-V142 WeakPolarHBondContact O-CB 3.37Å; P139-V142 WeakPolarHBondContact O-CG2 3.37Å; P139-G214 VanDerWaalsContact CB-C 3.45Å; P139-G214 WeakPolarHBondContact CB-O 3.45Å |
| 140 | G | 68.2 | Low | 77.8 | Confident | 59 Ų | 59 | 49 Ų | 49 | 61% | 0.608 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | -146.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V142 | G140-V142 VanDerWaalsContact C-N 3.26Š|
| 141 | D | 63.4 | Low | 77.9 | Confident | 138 Ų | 138 | 48.9 Ų | 48.9 | 74% | 0.738 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 14.8 | 175.9 | -64.8 | -36.2 | 0 | 0 | 0 | 112.4 | G143 | D141-G143 PolarHBondContact O-N 3.44Š|
| 142 | V | 70 | Confident | 78.1 | Confident | 8 Ų | 8 | 50.1 Ų | 50.1 | 5% | 0.048 | 28% | 0.283 | C | S | . | . | trans | -71.3 | 102.2 | -178.3 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | L20 L138 P139 G140 L146 V147 Q211 L212 | L20-V142 HydrophobicContact CD2-CG1 4.31Å; L138-V142 HydrophobicContact CB-CB 4.48Å; L138-V142 WeakPolarHBondContact CB-O 3.26Å; L138-V142 HydrophobicContact CD1-CG1 4.29Å; P139-V142 WeakPolarHBondContact O-CB 3.37Å; P139-V142 WeakPolarHBondContact O-CG2 3.37Å; G140-V142 VanDerWaalsContact C-N 3.26Å; V142-L146 HydrophobicContact CG1-CD2 4.29Å; V142-V147 HydrophobicContact CG1-CG2 4.24Å; V142-Q211 HydrophobicContact CG2-CB 3.91Å; V142-L212 HydrophobicContact CG2-CD1 4.04Å; V142-L212 HydrophobicContact CG2-CG 4.35Å | ||
| 143 | G | 73.1 | Confident | 78.9 | Confident | 34 Ų | 34 | 42 Ų | 42 | 35% | 0.351 | 25% | 0.245 | S | C | . | . | trans | -69.4 | 145.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | D141 D145 L146 | D141-G143 PolarHBondContact O-N 3.44Å; G143-D145 PolarHBondContact O-N 3.4Å; G143-L146 WeakPolarHBondContact O-CB 3.34Å; G143-L146 PolarHBondContact O-N 2.67Å | ||
| 144 | A | 79.3 | Confident | 79.7 | Confident | 26 Ų | 26 | 39.8 Ų | 39.8 | 22% | 0.215 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.1 | -33.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F130 L138 L146 V147 Q148 | F130-A144 WeakPolarHBondContact O-CB 3.44Å; L138-A144 HydrophobicContact CD1-CB 4.37Å; A144-L146 VanDerWaalsContact C-N 3.29Å; A144-L146 PolarHBondContact O-N 3.15Å; A144-V147 PolarHBondContact O-N 3.04Å; A144-V147 VanDerWaalsContact O-N 3.17Å; A144-Q148 WeakPolarHBondContact O-CG 3.45Å; A144-Q148 PolarHBondContact O-N 3.06Å |
| 145 | D | 78.5 | Confident | 80.7 | Confident | 73 Ų | 73 | 33.4 Ų | 33.4 | 39% | 0.39 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -55.9 | -41.3 | 174.9 | -58.4 | -33.6 | 0 | 0 | 0 | 112.7 | G143 V147 Q148 V149 | G143-D145 PolarHBondContact O-N 3.4Å; D145-V147 PolarHBondContact O-N 3.36Å; D145-Q148 PolarHBondContact O-N 3.05Å; D145-V149 VanDerWaalsContact O-CG2 3.27Å; D145-V149 WeakPolarHBondContact O-CG2 3.42Å; D145-V149 PolarHBondContact O-N 3.45Å |
| 146 | L | 81.3 | Confident | 81.2 | Confident | 36 Ų | 36 | 33.6 Ų | 33.6 | 19% | 0.188 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.1 | -44 | 179.2 | 176.2 | 63.5 | 0 | 0 | 0 | 110.8 | M23 V142 G143 A144 Q148 V149 V150 C204 V208 | M23-L146 HydrophobicContact CE-CG 4.31Å; V142-L146 HydrophobicContact CG1-CD2 4.29Å; G143-L146 WeakPolarHBondContact O-CB 3.34Å; G143-L146 PolarHBondContact O-N 2.67Å; A144-L146 VanDerWaalsContact C-N 3.29Å; A144-L146 PolarHBondContact O-N 3.15Å; L146-Q148 VanDerWaalsContact C-N 3.32Å; L146-Q148 PolarHBondContact O-N 3.04Å; L146-V149 PolarHBondContact O-N 3.29Å; L146-V150 HydrophobicContact CD1-CG2 4.28Å; L146-V150 WeakPolarHBondContact O-CG2 3.31Å; L146-V150 PolarHBondContact O-N 3.16Å; L146-C204 WeakPolarHBondContact CD1-O 3.49Å; L146-V208 HydrophobicContact CD1-CG2 3.83Å; L146-V208 HydrophobicContact CD2-CG2 3.59Å; L146-V208 HydrophobicContact CG-CG2 4.24Å |
| 147 | V | 85.1 | Confident | 81.6 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.3 | -44.7 | 176.9 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | T19 L20 M23 F130 L138 V142 A144 D145 V149 V150 V151 | T19-V147 HydrophobicContact CG2-CG1 4.15Å; L20-V147 HydrophobicContact CD2-CG2 4.29Å; M23-V147 HydrophobicContact CE-CG2 4.16Å; M23-V147 HydrophobicContact SD-CB 4.21Å; M23-V147 HydrophobicContact SD-CG1 3.95Å; M23-V147 HydrophobicContact SD-CG2 3.9Å; F130-V147 HydrophobicContact CB-CB 4.5Å; F130-V147 HydrophobicContact CB-CG1 4.41Å; F130-V147 HydrophobicContact CD1-CB 4.08Å; F130-V147 HydrophobicContact CD1-CG1 3.73Å; F130-V147 HydrophobicContact CD1-CG2 4.15Å; F130-V147 HydrophobicContact CD2-CG1 3.77Å; F130-V147 HydrophobicContact CE1-CB 4.49Å; F130-V147 HydrophobicContact CE1-CG1 3.83Å; F130-V147 HydrophobicContact CE1-CG2 4.35Å; F130-V147 HydrophobicContact CE2-CG1 3.88Å; F130-V147 HydrophobicContact CG-CB 4.18Å; F130-V147 HydrophobicContact CG-CG1 3.7Å; F130-V147 HydrophobicContact CZ-CG1 3.91Å; L138-V147 HydrophobicContact CD1-CG2 3.92Å; V142-V147 HydrophobicContact CG1-CG2 4.24Å; A144-V147 PolarHBondContact O-N 3.04Å; A144-V147 VanDerWaalsContact O-N 3.17Å; D145-V147 PolarHBondContact O-N 3.36Å; V147-V149 PolarHBondContact O-N 2.9Å; V147-V150 PolarHBondContact O-N 3.38Å; V147-V151 HydrophobicContact CG1-CG2 4.31Å; V147-V151 WeakPolarHBondContact O-CB 3.39Å; V147-V151 WeakPolarHBondContact O-CG2 3.48Å; V147-V151 PolarHBondContact O-N 2.97Å |
| 148 | Q | 85 | Confident | 82 | Confident | 31 Ų | 31 | 28.4 Ų | 28.4 | 15% | 0.145 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 178.1 | -68.1 | -176.3 | 19.3 | 0 | 0 | 112.3 | L127 F130 A144 D145 L146 V151 T152 | L127-Q148 HydrophobicContact CD2-CB 3.96Å; L127-Q148 HydrophobicContact CD2-CG 4.03Å; F130-Q148 HydrophobicContact CB-CG 4.38Å; F130-Q148 PolarHBondContact O-NE2 3.26Å; A144-Q148 WeakPolarHBondContact O-CG 3.45Å; A144-Q148 PolarHBondContact O-N 3.06Å; D145-Q148 PolarHBondContact O-N 3.05Å; L146-Q148 VanDerWaalsContact C-N 3.32Å; L146-Q148 PolarHBondContact O-N 3.04Å; Q148-V151 PolarHBondContact O-N 3.39Å; Q148-T152 VanDerWaalsContact O-CB 3.28Å; Q148-T152 WeakPolarHBondContact O-CB 3.38Å; Q148-T152 PolarHBondContact O-N 3.48Å; Q148-T152 PolarHBondContact O-OG1 3.18Å |
| 149 | V | 84.4 | Confident | 82.5 | Confident | 29 Ų | 29 | 27 Ų | 27 | 18% | 0.176 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.9 | -43.9 | 176.3 | 169 | 0 | 0 | 0 | 0 | 110.8 | D145 L146 V147 T152 A153 S203 I396 V398 | D145-V149 VanDerWaalsContact O-CG2 3.27Å; D145-V149 WeakPolarHBondContact O-CG2 3.42Å; D145-V149 PolarHBondContact O-N 3.45Å; L146-V149 PolarHBondContact O-N 3.29Å; V147-V149 PolarHBondContact O-N 2.9Å; V149-T152 PolarHBondContact O-N 3.26Å; V149-A153 WeakPolarHBondContact O-CB 3.14Å; V149-A153 PolarHBondContact O-N 2.99Å; V149-S203 WeakPolarHBondContact CG1-O 3.48Å; V149-I396 HydrophobicContact CG1-CG2 4.42Å; V149-V398 HydrophobicContact CG2-CG2 4.23Å |
| 150 | V | 87.3 | Confident | 83.4 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.6 | -46.2 | 178.7 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | M23 L122 L146 V147 T152 A153 A154 C204 F205 | M23-V150 HydrophobicContact CE-CB 4.39Å; M23-V150 HydrophobicContact CE-CG2 3.9Å; M23-V150 HydrophobicContact CG-CB 4.48Å; M23-V150 HydrophobicContact CG-CG1 3.95Å; L122-V150 HydrophobicContact CD1-CG1 4.04Å; L122-V150 HydrophobicContact CD2-CG1 4.49Å; L146-V150 HydrophobicContact CD1-CG2 4.28Å; L146-V150 WeakPolarHBondContact O-CG2 3.31Å; L146-V150 PolarHBondContact O-N 3.16Å; V147-V150 PolarHBondContact O-N 3.38Å; V150-T152 VanDerWaalsContact C-N 3.31Å; V150-T152 PolarHBondContact O-N 3.27Å; V150-A153 PolarHBondContact O-N 3.47Å; V150-A154 WeakPolarHBondContact O-CB 3.26Å; V150-A154 PolarHBondContact O-N 2.92Å; V150-C204 HydrophobicContact CB-CB 4.5Å; V150-C204 HydrophobicContact CG2-CB 3.6Å; V150-F205 HydrophobicContact CG1-CE1 4.28Å; V150-F205 HydrophobicContact CG1-CZ 4.2Å; V150-F205 HydrophobicContact CG2-CE1 4.03Å |
| 151 | V | 89.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.2 | -41.9 | 176.3 | 167.8 | 0 | 0 | 0 | 0 | 110.7 | L122 T125 L127 V147 Q148 A154 R155 | L122-V151 HydrophobicContact CD2-CG2 4.43Å; L122-V151 WeakPolarHBondContact O-CG1 3.2Å; T125-V151 HydrophobicContact CG2-CG2 4.02Å; L127-V151 HydrophobicContact CD2-CB 3.74Å; L127-V151 HydrophobicContact CD2-CG1 3.49Å; L127-V151 VanDerWaalsContact CD2-CG1 3.49Å; L127-V151 HydrophobicContact CG-CG1 4.03Å; V147-V151 HydrophobicContact CG1-CG2 4.31Å; V147-V151 WeakPolarHBondContact O-CB 3.39Å; V147-V151 WeakPolarHBondContact O-CG2 3.48Å; V147-V151 PolarHBondContact O-N 2.97Å; Q148-V151 PolarHBondContact O-N 3.39Å; V151-A154 PolarHBondContact O-N 2.94Å; V151-R155 WeakPolarHBondContact O-CG 3.13Å; V151-R155 PolarHBondContact O-N 3.35Å |
| 152 | T | 87.8 | Confident | 85.8 | Confident | 61 Ų | 61 | 18 Ų | 18 | 37% | 0.374 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -65.2 | -42.6 | 177.7 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | Q148 V149 V150 R155 L156 | Q148-T152 VanDerWaalsContact O-CB 3.28Å; Q148-T152 WeakPolarHBondContact O-CB 3.38Å; Q148-T152 PolarHBondContact O-N 3.48Å; Q148-T152 PolarHBondContact O-OG1 3.18Å; V149-T152 PolarHBondContact O-N 3.26Å; V150-T152 VanDerWaalsContact C-N 3.31Å; V150-T152 PolarHBondContact O-N 3.27Å; T152-R155 PolarHBondContact O-N 2.68Å; T152-L156 WeakPolarHBondContact O-CB 3.28Å; T152-L156 PolarHBondContact O-N 3.06Å |
| 153 | A | 88.4 | Confident | 86.6 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.2 | -42.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V149 V150 L156 I157 I396 | V149-A153 WeakPolarHBondContact O-CB 3.14Å; V149-A153 PolarHBondContact O-N 2.99Å; V150-A153 PolarHBondContact O-N 3.47Å; A153-L156 PolarHBondContact O-N 2.68Å; A153-I157 WeakPolarHBondContact O-CG1 3.37Å; A153-I157 WeakPolarHBondContact O-CG2 3.33Å; A153-I157 PolarHBondContact O-N 3.3Å; A153-I396 HydrophobicContact CB-CD1 4Å |
| 154 | A | 91.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62 | -44.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V119 L122 A123 V150 V151 L156 I157 C158 | V119-A154 HydrophobicContact CG1-CB 4.23Å; L122-A154 HydrophobicContact CB-CB 3.6Å; A123-A154 HydrophobicContact CB-CB 4.33Å; V150-A154 WeakPolarHBondContact O-CB 3.26Å; V150-A154 PolarHBondContact O-N 2.92Å; V151-A154 PolarHBondContact O-N 2.94Å; A154-L156 VanDerWaalsContact C-N 3.33Å; A154-L156 PolarHBondContact O-N 2.9Å; A154-I157 PolarHBondContact O-N 3.15Å; A154-C158 WeakPolarHBondContact O-CB 3.28Å; A154-C158 PolarHBondContact O-N 3.5Å |
| 155 | R | 90.5 | Very high | 87.8 | Confident | 39 Ų | 39 | 19.5 Ų | 19.5 | 15% | 0.147 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.2 | -46.5 | 172.2 | -75.4 | -179.8 | -177.1 | -164.9 | 1.5 | 111 | A123 T125 V151 T152 I157 C158 F252 Q255 E551 | A123-R155 HydrophobicContact CB-CG 4.36Å; A123-R155 WeakPolarHBondContact O-CG 3.27Å; A123-R155 PolarHBondContact O-NE 3.42Å; A123-R155 VanDerWaalsContact O-NE 3.1Å; T125-R155 PolarHBondContact O-NH2 2.76Å; V151-R155 WeakPolarHBondContact O-CG 3.13Å; V151-R155 PolarHBondContact O-N 3.35Å; T152-R155 PolarHBondContact O-N 2.68Å; R155-I157 PolarHBondContact O-N 2.8Å; R155-C158 PolarHBondContact O-N 3.27Å; R155-C158 PolarHBondContact O-SG 2.94Å; R155-F252 HydrophobicContact CG-CE1 4.06Å; R155-F252 HydrophobicContact CG-CZ 4.12Å; R155-Q255 PolarHBondContact O-NE2 3.33Å; R155-E551 IonicContact CZ-OE1 3.71Å; R155-E551 IonicContact NH1-OE1 3.04Å; R155-E551 PolarHBondContact NH1-OE1 3.14Å; R155-E551 IonicContact NH2-OE1 3.55Å |
| 156 | L | 87.2 | Confident | 88.1 | Confident | 26 Ų | 26 | 17.7 Ų | 17.7 | 14% | 0.136 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.2 | -39.2 | -177.9 | 179.1 | 66.1 | 0 | 0 | 0 | 112.9 | T152 A153 A154 T387 R390 V391 S394 | T152-L156 WeakPolarHBondContact O-CB 3.28Å; T152-L156 PolarHBondContact O-N 3.06Å; A153-L156 PolarHBondContact O-N 2.68Å; A154-L156 VanDerWaalsContact C-N 3.33Å; A154-L156 PolarHBondContact O-N 2.9Å; L156-T387 WeakPolarHBondContact O-CG2 3.48Å; L156-R390 HydrophobicContact CD1-CB 4.13Å; L156-V391 HydrophobicContact CD1-CG2 4.3Å; L156-V391 HydrophobicContact CD2-CG2 4.07Å; L156-V391 HydrophobicContact CG-CG2 3.79Å; L156-S394 WeakPolarHBondContact CD2-OG 3.28Å |
| 157 | I | 88.9 | Confident | 88.2 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -92.9 | -8.2 | -175.8 | 71.3 | -164.1 | 0 | 0 | 0 | 113.6 | V119 A153 A154 R155 P159 L160 I196 K199 M200 V391 | V119-I157 HydrophobicContact CG1-CD1 4.11Å; V119-I157 HydrophobicContact CG1-CG1 4.1Å; A153-I157 WeakPolarHBondContact O-CG1 3.37Å; A153-I157 WeakPolarHBondContact O-CG2 3.33Å; A153-I157 PolarHBondContact O-N 3.3Å; A154-I157 PolarHBondContact O-N 3.15Å; R155-I157 PolarHBondContact O-N 2.8Å; I157-P159 VanDerWaalsContact C-N 3.29Å; I157-P159 VanDerWaalsContact O-N 3.15Å; I157-L160 WeakPolarHBondContact O-CB 3.27Å; I157-L160 PolarHBondContact O-N 2.98Å; I157-I196 HydrophobicContact CD1-CG2 3.87Å; I157-K199 HydrophobicContact CG2-CB 4.14Å; I157-K199 HydrophobicContact CG2-CG 3.78Å; I157-M200 HydrophobicContact CD1-CG 3.41Å; I157-M200 VanDerWaalsContact CD1-CG 3.41Å; I157-M200 HydrophobicContact CD1-SD 3.44Å; I157-M200 WeakPolarHBondContact CD1-SD 3.36Å; I157-V391 HydrophobicContact CG2-CG2 4.16Å |
| 158 | C | 89.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -53.2 | -36.3 | -173.5 | 73.8 | 0 | 0 | 0 | 0 | 114.3 | A123 A154 R155 L160 L161 F252 L253 Q255 | A123-C158 HydrophobicContact CB-CB 3.88Å; A154-C158 WeakPolarHBondContact O-CB 3.28Å; A154-C158 PolarHBondContact O-N 3.5Å; R155-C158 PolarHBondContact O-N 3.27Å; R155-C158 PolarHBondContact O-SG 2.94Å; C158-L160 PolarHBondContact O-N 3.14Å; C158-L161 VanDerWaalsContact O-CB 3.27Å; C158-L161 WeakPolarHBondContact O-CB 3.35Å; C158-L161 PolarHBondContact O-N 3.48Å; C158-F252 PolarHBondContact SG-O 3.28Å; C158-F252 VanDerWaalsContact SG-O 3.37Å; C158-L253 HydrophobicContact CB-CD2 4.05Å; C158-L253 WeakPolarHBondContact O-CD2 3.44Å; C158-Q255 PolarHBondContact SG-NE2 3.05Å; C158-Q255 VanDerWaalsContact SG-NE2 3.41Å |
| 159 | P | 91.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -64.5 | -24.8 | 178.9 | -24.2 | 37.9 | 0 | 0 | 0 | 114.1 | I157 L161 L162 L253 Q255 V383 T387 | I157-P159 VanDerWaalsContact C-N 3.29Å; I157-P159 VanDerWaalsContact O-N 3.15Å; P159-L161 PolarHBondContact O-N 3.25Å; P159-L161 VanDerWaalsContact O-N 3.17Å; P159-L162 WeakPolarHBondContact O-CB 3.3Å; P159-L162 WeakPolarHBondContact O-CG 3.45Å; P159-L162 PolarHBondContact O-N 3.32Å; P159-L253 VanDerWaalsContact CA-O 3.27Å; P159-L253 WeakPolarHBondContact CA-O 3.5Å; P159-L253 WeakPolarHBondContact CB-O 3.35Å; P159-L253 WeakPolarHBondContact CG-O 3.16Å; P159-Q255 VanDerWaalsContact CG-CD 3.49Å; P159-Q255 HydrophobicContact CG-CG 3.83Å; P159-V383 HydrophobicContact CB-CG1 3.94Å; P159-T387 HydrophobicContact CB-CG2 4.04Å; P159-T387 WeakPolarHBondContact CB-OG1 3.45Å; P159-T387 HydrophobicContact CG-CG2 3.91Å; P159-T387 WeakPolarHBondContact CG-OG1 3.33Å |
| 160 | L | 90.4 | Very high | 88.3 | Confident | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -65.2 | -17.3 | 175.4 | -57.4 | -176 | 0 | 0 | 0 | 112.5 | I157 C158 L162 T192 I196 M384 T387 M388 | I157-L160 WeakPolarHBondContact O-CB 3.27Å; I157-L160 PolarHBondContact O-N 2.98Å; C158-L160 PolarHBondContact O-N 3.14Å; L160-L162 PolarHBondContact O-N 3.23Å; L160-T192 HydrophobicContact CB-CG2 4.16Å; L160-I196 HydrophobicContact CB-CD1 4.08Å; L160-I196 HydrophobicContact CB-CG1 4.09Å; L160-I196 HydrophobicContact CD1-CG1 4.09Å; L160-M384 HydrophobicContact CD2-CB 4.18Å; L160-T387 HydrophobicContact CD2-CG2 4.2Å; L160-T387 HydrophobicContact CG-CG2 4.11Å; L160-M388 HydrophobicContact CD2-CE 3.74Å; L160-M388 HydrophobicContact CD2-CG 3.73Å |
| 161 | L | 92.5 | Very high | 88.1 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -71.4 | -13.4 | 179.7 | -77.9 | 56.4 | 0 | 0 | 0 | 112.6 | L116 V119 E120 C158 P159 V163 F164 I196 L253 | L116-L161 HydrophobicContact CB-CD2 4.44Å; L116-L161 HydrophobicContact CD2-CD1 4.45Å; L116-L161 HydrophobicContact CD2-CG 3.99Å; V119-L161 HydrophobicContact CB-CD2 4.28Å; V119-L161 HydrophobicContact CG1-CD1 4.24Å; V119-L161 HydrophobicContact CG1-CD2 4.08Å; E120-L161 HydrophobicContact CB-CD2 4.48Å; E120-L161 HydrophobicContact CG-CD2 3.32Å; C158-L161 VanDerWaalsContact O-CB 3.27Å; C158-L161 WeakPolarHBondContact O-CB 3.35Å; C158-L161 PolarHBondContact O-N 3.48Å; P159-L161 PolarHBondContact O-N 3.25Å; P159-L161 VanDerWaalsContact O-N 3.17Å; L161-V163 PolarHBondContact O-N 3.34Å; L161-F164 PolarHBondContact O-N 2.82Å; L161-I196 HydrophobicContact CD1-CD1 3.79Å; L161-L253 HydrophobicContact CB-CD1 4.48Å; L161-L253 HydrophobicContact CB-CD2 4.4Å |
| 162 | L | 89.3 | Confident | 87.9 | Confident | 10 Ų | 10 | 23.9 Ų | 23.9 | 5% | 0.052 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -56.5 | -31.3 | 176.1 | -72.2 | 172.7 | 0 | 0 | 0 | 113 | P159 L160 F164 K165 L253 F254 L380 V383 M384 | P159-L162 WeakPolarHBondContact O-CB 3.3Å; P159-L162 WeakPolarHBondContact O-CG 3.45Å; P159-L162 PolarHBondContact O-N 3.32Å; L160-L162 PolarHBondContact O-N 3.23Å; L162-F164 PolarHBondContact O-N 3.39Å; L162-F164 VanDerWaalsContact O-N 3.14Å; L162-K165 HydrophobicContact CD2-CG 4.49Å; L162-K165 PolarHBondContact O-N 3.06Å; L162-L253 HydrophobicContact CD2-CB 3.94Å; L162-L253 HydrophobicContact CD2-CD1 3.92Å; L162-L253 HydrophobicContact CG-CB 4.12Å; L162-L253 HydrophobicContact CG-CD1 4.41Å; L162-F254 HydrophobicContact CD1-CE1 4.24Å; L162-F254 HydrophobicContact CD1-CE2 4.31Å; L162-F254 HydrophobicContact CD1-CZ 4.12Å; L162-F254 HydrophobicContact CD2-CD2 4.08Å; L162-F254 HydrophobicContact CD2-CE2 3.4Å; L162-F254 HydrophobicContact CD2-CZ 3.7Å; L162-F254 HydrophobicContact CG-CE2 4.49Å; L162-L380 HydrophobicContact CD1-CD2 4.4Å; L162-V383 HydrophobicContact CD1-CB 4.1Å; L162-V383 HydrophobicContact CD1-CG1 3.64Å; L162-M384 HydrophobicContact CB-CG 4.4Å; L162-M384 HydrophobicContact CB-SD 4.35Å |
| 163 | V | 86.9 | Confident | 87.9 | Confident | 7 Ų | 7 | 24.2 Ų | 24.2 | 4% | 0.042 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -55.6 | -31.8 | 174.6 | 177.7 | 0 | 0 | 0 | 0 | 112.3 | L161 R188 T192 M384 | L161-V163 PolarHBondContact O-N 3.34Å; V163-R188 HydrophobicContact CG1-CG 4.19Å; V163-T192 HydrophobicContact CB-CG2 4.22Å; V163-T192 HydrophobicContact CG2-CG2 3.89Å; V163-M384 HydrophobicContact CG2-CE 3.12Å; V163-M384 HydrophobicContact CG2-SD 3.44Å; V163-M384 WeakPolarHBondContact CG2-SD 3.39Å |
| 164 | F | 89.9 | Confident | 87.9 | Confident | 36 Ų | 36 | 26.2 Ų | 26.2 | 16% | 0.158 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -99.4 | 2.9 | -172.9 | -50.3 | -77.1 | 0 | 0 | 0 | 113.5 | L112 L116 L161 L162 R166 C189 T192 A193 I196 | L112-F164 HydrophobicContact CD2-CD1 3.85Å; L112-F164 HydrophobicContact CD2-CE1 3.48Å; L112-F164 VanDerWaalsContact CD2-CE1 3.48Å; L112-F164 HydrophobicContact CD2-CZ 4.17Å; L116-F164 HydrophobicContact CD1-CB 3.44Å; L116-F164 VanDerWaalsContact CD1-CB 3.44Å; L116-F164 HydrophobicContact CD1-CD1 3.85Å; L116-F164 HydrophobicContact CD1-CD2 3.54Å; L116-F164 HydrophobicContact CD1-CE1 4.48Å; L116-F164 HydrophobicContact CD1-CE2 4.22Å; L116-F164 HydrophobicContact CD1-CG 3.32Å; L116-F164 HydrophobicContact CD2-CD2 3.78Å; L116-F164 HydrophobicContact CD2-CE2 3.86Å; L116-F164 HydrophobicContact CD2-CG 4.42Å; L116-F164 HydrophobicContact CG-CD2 4.33Å; L161-F164 PolarHBondContact O-N 2.82Å; L162-F164 PolarHBondContact O-N 3.39Å; L162-F164 VanDerWaalsContact O-N 3.14Å; F164-R166 PolarHBondContact O-N 2.93Å; F164-C189 HydrophobicContact CD1-CB 4.45Å; F164-C189 HydrophobicContact CE1-CB 3.83Å; F164-T192 HydrophobicContact CE2-CG2 3.83Å; F164-T192 HydrophobicContact CZ-CG2 4Å; F164-A193 HydrophobicContact CZ-CB 4.19Å; F164-I196 HydrophobicContact CE2-CD1 3.77Å; F164-I196 HydrophobicContact CZ-CD1 4.49Å |
| 165 | K | 88.1 | Confident | 87.3 | Confident | 58 Ų | 58 | 29 Ų | 29 | 25% | 0.252 | 16% | 0.155 | S | C | . | . | trans | -73.4 | -5.6 | 175.5 | -69.2 | -56.8 | -169.4 | -171.9 | 0 | 113.8 | E120 L162 L253 I532 | E120-K165 VanDerWaalsContact CD-NZ 3.29Å; E120-K165 WeakPolarHBondContact OE1-CE 3.5Å; E120-K165 IonicContact OE1-NZ 2.64Å; E120-K165 PolarHBondContact OE1-NZ 2.88Å; E120-K165 IonicContact OE2-NZ 2.78Å; E120-K165 PolarHBondContact OE2-NZ 3.32Å; L162-K165 HydrophobicContact CD2-CG 4.49Å; L162-K165 PolarHBondContact O-N 3.06Å; K165-L253 HydrophobicContact CD-CD1 4.36Å; K165-L253 HydrophobicContact CG-CD1 4.28Å; K165-I532 HydrophobicContact CB-CD1 3.94Å; K165-I532 HydrophobicContact CB-CG1 4.21Å | ||
| 166 | R | 84.2 | Confident | 86.7 | Confident | 34 Ų | 34 | 28.4 Ų | 28.4 | 13% | 0.128 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -70.6 | 139.5 | 170.6 | -174.9 | -176.9 | -69.6 | 136.7 | -4.5 | 111.4 | F164 A168 F171 Q185 E525 | F164-R166 PolarHBondContact O-N 2.93Å; R166-A168 PolarHBondContact O-N 3.43Å; R166-A168 VanDerWaalsContact O-N 3.08Å; R166-F171 VanDerWaalsContact CD-CD2 3.45Å; R166-F171 HydrophobicContact CG-CB 4.34Å; R166-F171 HydrophobicContact CG-CD2 4.33Å; R166-F171 HydrophobicContact CG-CG 4.43Å; R166-Q185 VanDerWaalsContact NH1-CG 3.3Å; R166-E525 IonicContact CZ-OE1 3.8Å; R166-E525 IonicContact CZ-OE2 2.7Å; R166-E525 VanDerWaalsContact CZ-OE2 3.23Å; R166-E525 IonicContact NE-OE1 3.63Å; R166-E525 IonicContact NE-OE2 2.71Å; R166-E525 PolarHBondContact NE-OE2 2.84Å; R166-E525 VanDerWaalsContact NH2-CD 3.29Å; R166-E525 IonicContact NH2-OE1 3.51Å; R166-E525 PolarHBondContact NH2-OE1 2.97Å; R166-E525 IonicContact NH2-OE2 2.81Å; R166-E525 PolarHBondContact NH2-OE2 3.37Å |
| 167 | D | 84 | Confident | 85.8 | Confident | 53 Ų | 53 | 30 Ų | 30 | 28% | 0.283 | 16% | 0.162 | S | C | . | . | trans | -72.2 | 100.7 | 171.9 | -166.6 | -32.3 | 0 | 0 | 0 | 111.3 | S169 V170 F171 | D167-S169 VanDerWaalsContact C-N 3.26Å; D167-S169 PolarHBondContact O-N 2.75Å; D167-S169 WeakPolarHBondContact OD1-CB 3.34Å; D167-S169 PolarHBondContact OD1-N 3.33Å; D167-S169 PolarHBondContact OD1-OG 2.9Å; D167-V170 HydrophobicContact CB-CB 4.41Å; D167-V170 HydrophobicContact CB-CG2 4.32Å; D167-V170 PolarHBondContact O-N 3.41Å; D167-V170 PolarHBondContact OD1-N 3.1Å; D167-F171 WeakPolarHBondContact O-CB 3.47Å; D167-F171 PolarHBondContact O-N 2.76Å; D167-F171 VanDerWaalsContact O-N 3.09Å | ||
| 168 | A | 85.3 | Confident | 85.1 | Confident | 27 Ų | 27 | 30.2 Ų | 30.2 | 22% | 0.223 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.9 | -35.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L106 L109 R166 V170 F171 F172 | L106-A168 HydrophobicContact CD2-CB 3.91Å; L106-A168 WeakPolarHBondContact CD2-O 3.46Å; L109-A168 HydrophobicContact CD1-CB 3.92Å; R166-A168 PolarHBondContact O-N 3.43Å; R166-A168 VanDerWaalsContact O-N 3.08Å; A168-V170 VanDerWaalsContact C-N 3.32Å; A168-V170 PolarHBondContact O-N 2.98Å; A168-F171 PolarHBondContact O-N 3.01Å; A168-F172 HydrophobicContact CB-CD2 4.05Å; A168-F172 HydrophobicContact CB-CE2 4.38Å; A168-F172 WeakPolarHBondContact O-CB 3.3Å; A168-F172 WeakPolarHBondContact O-CD2 3.5Å; A168-F172 PolarHBondContact O-N 3.4Å |
| 169 | S | 85.8 | Confident | 84.5 | Confident | 70 Ų | 70 | 30.3 Ų | 30.3 | 49% | 0.49 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -68.1 | -32.8 | -174.9 | 73.4 | 0 | 0 | 0 | 0 | 112.8 | D167 | D167-S169 VanDerWaalsContact C-N 3.26Å; D167-S169 PolarHBondContact O-N 2.75Å; D167-S169 WeakPolarHBondContact OD1-CB 3.34Å; D167-S169 PolarHBondContact OD1-N 3.33Å; D167-S169 PolarHBondContact OD1-OG 2.9Å |
| 170 | V | 85.8 | Confident | 83.6 | Confident | 68 Ų | 68 | 31.9 Ų | 31.9 | 41% | 0.412 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -86.5 | -29.2 | 177.8 | -174.1 | 0 | 0 | 0 | 0 | 111.1 | D167 A168 L173 | D167-V170 HydrophobicContact CB-CB 4.41Å; D167-V170 HydrophobicContact CB-CG2 4.32Å; D167-V170 PolarHBondContact O-N 3.41Å; D167-V170 PolarHBondContact OD1-N 3.1Å; A168-V170 VanDerWaalsContact C-N 3.32Å; A168-V170 PolarHBondContact O-N 2.98Å; V170-L173 WeakPolarHBondContact O-CD1 3.29Å; V170-L173 WeakPolarHBondContact O-CG 3.48Å |
| 171 | F | 82.8 | Confident | 82.8 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.009 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -79.1 | -45.2 | -177.7 | -166.6 | -96.5 | 0 | 0 | 0 | 113.2 | R166 D167 A168 L173 V181 M182 Q185 L521 | R166-F171 VanDerWaalsContact CD-CD2 3.45Å; R166-F171 HydrophobicContact CG-CB 4.34Å; R166-F171 HydrophobicContact CG-CD2 4.33Å; R166-F171 HydrophobicContact CG-CG 4.43Å; D167-F171 WeakPolarHBondContact O-CB 3.47Å; D167-F171 PolarHBondContact O-N 2.76Å; D167-F171 VanDerWaalsContact O-N 3.09Å; A168-F171 PolarHBondContact O-N 3.01Å; F171-L173 VanDerWaalsContact C-N 3.25Å; F171-L173 PolarHBondContact O-N 2.7Å; F171-V181 HydrophobicContact CE1-CG1 4.46Å; F171-V181 HydrophobicContact CZ-CG1 3.77Å; F171-M182 HydrophobicContact CE1-CG 4.37Å; F171-Q185 HydrophobicContact CE1-CB 3.73Å; F171-Q185 HydrophobicContact CE1-CG 3.51Å; F171-Q185 HydrophobicContact CZ-CB 4.19Å; F171-Q185 HydrophobicContact CZ-CG 3.44Å; F171-Q185 VanDerWaalsContact CZ-CG 3.44Å; F171-L521 HydrophobicContact CD1-CD1 4.49Å; F171-L521 HydrophobicContact CD2-CD1 3.53Å; F171-L521 HydrophobicContact CD2-CG 4.42Å; F171-L521 HydrophobicContact CE1-CD1 4.36Å; F171-L521 HydrophobicContact CE2-CD1 3.42Å; F171-L521 VanDerWaalsContact CE2-CD1 3.42Å; F171-L521 HydrophobicContact CE2-CG 3.98Å; F171-L521 HydrophobicContact CG-CD1 4.12Å; F171-L521 HydrophobicContact CZ-CD1 3.86Å; F171-L521 HydrophobicContact CZ-CG 4.49Å |
| 172 | F | 85.8 | Confident | 82.3 | Confident | 8 Ų | 8 | 31.8 Ų | 31.8 | 4% | 0.035 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -87 | 57.3 | -176.5 | -71.6 | -78.7 | 0 | 0 | 0 | 111.9 | L102 L106 L109 A168 M182 L186 | L102-F172 HydrophobicContact CD2-CB 3.89Å; L102-F172 HydrophobicContact CD2-CD1 3.69Å; L102-F172 HydrophobicContact CD2-CG 4.26Å; L106-F172 HydrophobicContact CD2-CB 4.18Å; L106-F172 HydrophobicContact CG-CB 4.42Å; L109-F172 HydrophobicContact CD1-CD2 3.97Å; L109-F172 HydrophobicContact CD1-CE2 3.6Å; L109-F172 HydrophobicContact CD1-CZ 4.25Å; A168-F172 HydrophobicContact CB-CD2 4.05Å; A168-F172 HydrophobicContact CB-CE2 4.38Å; A168-F172 WeakPolarHBondContact O-CB 3.3Å; A168-F172 WeakPolarHBondContact O-CD2 3.5Å; A168-F172 PolarHBondContact O-N 3.4Å; F172-M182 HydrophobicContact CD1-CB 3.86Å; F172-M182 HydrophobicContact CD1-CG 3.98Å; F172-M182 HydrophobicContact CD1-SD 4.14Å; F172-M182 HydrophobicContact CE1-CB 3.88Å; F172-M182 HydrophobicContact CE1-CG 4.37Å; F172-M182 WeakPolarHBondContact CE1-O 3.43Å; F172-L186 HydrophobicContact CE1-CB 4.18Å; F172-L186 HydrophobicContact CZ-CB 4.26Å |
| 173 | L | 87.1 | Confident | 81.8 | Confident | 67 Ų | 67 | 31.5 Ų | 31.5 | 35% | 0.351 | 17% | 0.171 | S | C | . | . | trans | -85.4 | 144.6 | 174.8 | -68.8 | 175 | 0 | 0 | 0 | 111.1 | L102 V170 F171 K175 M182 | L102-L173 VanDerWaalsContact CD1-C 3.49Å; V170-L173 WeakPolarHBondContact O-CD1 3.29Å; V170-L173 WeakPolarHBondContact O-CG 3.48Å; F171-L173 VanDerWaalsContact C-N 3.25Å; F171-L173 PolarHBondContact O-N 2.7Å; L173-K175 HydrophobicContact CB-CG 4.33Å; L173-K175 PolarHBondContact O-N 3.06Å; L173-M182 WeakPolarHBondContact O-CE 3.47Å | ||
| 174 | P | 87.6 | Confident | 81.4 | Confident | 43 Ų | 43 | 33 Ų | 33 | 28% | 0.279 | 18% | 0.177 | S | C | . | . | trans | -73.9 | 68 | -179.2 | 31.6 | -36.3 | 0 | 0 | 0 | 111.7 | Q95 L98 A99 L102 | Q95-P174 HydrophobicContact CG-CB 4.46Å; Q95-P174 VanDerWaalsContact CG-O 3.26Å; Q95-P174 WeakPolarHBondContact CG-O 3.45Å; Q95-P174 PolarHBondContact NE2-O 3.37Å; L98-P174 HydrophobicContact CD2-CB 4.48Å; L98-P174 HydrophobicContact CG-CB 4.4Å; A99-P174 HydrophobicContact CB-CB 3.73Å; A99-P174 HydrophobicContact CB-CG 4.09Å; L102-P174 VanDerWaalsContact CD1-CA 3.48Å; L102-P174 HydrophobicContact CD1-CB 3.99Å | ||
| 175 | K | 80.7 | Confident | 81.1 | Confident | 57 Ų | 57 | 31.2 Ų | 31.2 | 25% | 0.248 | 17% | 0.17 | C | C | . | . | trans | -114.6 | 108.6 | 175.2 | -63.5 | -170.4 | -177.9 | 179.4 | 0 | 107.8 | L173 Q177 N178 A517 | L173-K175 HydrophobicContact CB-CG 4.33Å; L173-K175 PolarHBondContact O-N 3.06Å; K175-Q177 PolarHBondContact O-N 3.17Å; K175-N178 PolarHBondContact O-N 3.2Å; K175-A517 HydrophobicContact CB-CB 4.46Å; K175-A517 HydrophobicContact CD-CB 3.66Å | ||
| 176 | L | 76.9 | Confident | 81 | Confident | 28 Ų | 28 | 28.5 Ų | 28.5 | 15% | 0.147 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -53.8 | -29.8 | -179 | -70.3 | 171.2 | 0 | 0 | 0 | 112.3 | I50 A54 L91 L94 Q95 L98 N178 V179 | I50-L176 HydrophobicContact CG2-CD2 3.64Å; A54-L176 HydrophobicContact CB-CD1 4.42Å; A54-L176 HydrophobicContact CB-CD2 4.32Å; L91-L176 HydrophobicContact CB-CD1 4.38Å; L91-L176 HydrophobicContact CD2-CD1 4.03Å; L94-L176 HydrophobicContact CB-CD1 4.28Å; L94-L176 HydrophobicContact CB-CD2 4.24Å; Q95-L176 HydrophobicContact CB-CD1 4.26Å; Q95-L176 HydrophobicContact CB-CG 4.37Å; L98-L176 HydrophobicContact CB-CD2 4.49Å; L98-L176 HydrophobicContact CD2-CD2 3.98Å; L98-L176 HydrophobicContact CD2-CG 4.45Å; L176-N178 PolarHBondContact O-N 3.31Å; L176-V179 WeakPolarHBondContact O-CG2 3.27Å; L176-V179 PolarHBondContact O-N 2.92Å |
| 177 | Q | 69.1 | Low | 81 | Confident | 59 Ų | 59 | 29.5 Ų | 29.5 | 28% | 0.276 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -65.5 | -18 | 178.9 | -59 | 82.8 | 4.8 | 0 | 0 | 114.1 | K175 F514 A517 R518 | K175-Q177 PolarHBondContact O-N 3.17Å; Q177-F514 HydrophobicContact CB-CD2 3.75Å; Q177-F514 HydrophobicContact CB-CE2 4.24Å; Q177-F514 HydrophobicContact CG-CB 4.36Å; Q177-F514 HydrophobicContact CG-CD2 3.8Å; Q177-A517 HydrophobicContact CB-CB 4.14Å; Q177-R518 PolarHBondContact O-NE 3.37Å; Q177-R518 PolarHBondContact O-NH2 2.75Å |
| 178 | N | 73 | Confident | 81 | Confident | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.027 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -112.8 | 4.8 | -173.3 | -66.9 | -14.4 | 0 | 0 | 0 | 113 | K175 L176 D180 V181 M182 A517 R518 L521 | K175-N178 PolarHBondContact O-N 3.2Å; L176-N178 PolarHBondContact O-N 3.31Å; N178-D180 PolarHBondContact O-N 3.35Å; N178-V181 WeakPolarHBondContact O-CB 3.35Å; N178-V181 PolarHBondContact O-N 3.01Å; N178-M182 HydrophobicContact CB-CE 4.43Å; N178-M182 PolarHBondContact O-N 2.9Å; N178-A517 PolarHBondContact ND2-O 3.5Å; N178-R518 WeakPolarHBondContact OD1-CD 3.17Å; N178-R518 PolarHBondContact OD1-NE 2.92Å; N178-L521 HydrophobicContact CB-CD2 4.27Å |
| 179 | V | 77.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.1 | -41.7 | -171.8 | 176.9 | 0 | 0 | 0 | 0 | 112.8 | M47 K51 L98 L176 V181 M182 A183 | M47-V179 HydrophobicContact CB-CG1 3.92Å; M47-V179 WeakPolarHBondContact O-CG1 3.28Å; K51-V179 HydrophobicContact CB-CB 4.26Å; K51-V179 HydrophobicContact CB-CG1 3.85Å; L98-V179 HydrophobicContact CD1-CG2 4.02Å; L98-V179 HydrophobicContact CD2-CG2 3.59Å; L98-V179 HydrophobicContact CG-CG2 4.46Å; L176-V179 WeakPolarHBondContact O-CG2 3.27Å; L176-V179 PolarHBondContact O-N 2.92Å; V179-V181 PolarHBondContact O-N 3.41Å; V179-M182 HydrophobicContact CB-CE 4.41Å; V179-M182 HydrophobicContact CG2-CE 3.93Å; V179-M182 PolarHBondContact O-N 3.45Å; V179-A183 VanDerWaalsContact O-CB 3.24Å; V179-A183 WeakPolarHBondContact O-CB 3.32Å; V179-A183 PolarHBondContact O-N 3.16Å |
| 180 | D | 72.6 | Confident | 81.3 | Confident | 34 Ų | 34 | 24.6 Ų | 24.6 | 18% | 0.182 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.5 | -41.4 | 175.3 | -64.9 | -58.7 | 0 | 0 | 0 | 113 | K51 N178 H184 | K51-D180 WeakPolarHBondContact CD-OD1 3.31Å; K51-D180 WeakPolarHBondContact CE-OD1 3.04Å; K51-D180 VanDerWaalsContact CE-OD2 3.25Å; K51-D180 WeakPolarHBondContact CE-OD2 3.26Å; K51-D180 VanDerWaalsContact NZ-CG 3.32Å; K51-D180 IonicContact NZ-OD1 2.65Å; K51-D180 PolarHBondContact NZ-OD1 2.88Å; K51-D180 IonicContact NZ-OD2 3.54Å; K51-D180 PolarHBondContact NZ-OD2 3.39Å; N178-D180 PolarHBondContact O-N 3.35Å; D180-H184 WeakPolarHBondContact O-CB 3.4Å; D180-H184 PolarHBondContact O-N 3.41Å |
| 181 | V | 73.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -71.1 | -45.4 | -177.1 | -172.3 | 0 | 0 | 0 | 0 | 109.8 | F171 N178 V179 H184 Q185 L487 L521 | F171-V181 HydrophobicContact CE1-CG1 4.46Å; F171-V181 HydrophobicContact CZ-CG1 3.77Å; N178-V181 WeakPolarHBondContact O-CB 3.35Å; N178-V181 PolarHBondContact O-N 3.01Å; V179-V181 PolarHBondContact O-N 3.41Å; V181-H184 PolarHBondContact O-N 3.39Å; V181-Q185 WeakPolarHBondContact O-CG 3.48Å; V181-Q185 PolarHBondContact O-N 2.91Å; V181-L487 HydrophobicContact CG1-CB 4.5Å; V181-L487 HydrophobicContact CG1-CD1 3.54Å; V181-L487 HydrophobicContact CG1-CD2 4.36Å; V181-L487 HydrophobicContact CG1-CG 3.5Å; V181-L521 HydrophobicContact CB-CD2 3.97Å; V181-L521 HydrophobicContact CG1-CD2 3.79Å; V181-L521 HydrophobicContact CG2-CD2 4.04Å |
| 182 | M | 82.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.5 | -46.7 | 176.3 | -68.5 | -173 | -65.3 | 0 | 0 | 111.1 | M47 L98 L102 F171 F172 L173 N178 V179 H184 Q185 L186 | M47-M182 HydrophobicContact SD-CB 4.42Å; L98-M182 HydrophobicContact CD1-CE 4.34Å; L98-M182 HydrophobicContact CD2-CE 4.14Å; L102-M182 HydrophobicContact CD1-CE 4.11Å; L102-M182 HydrophobicContact CD1-SD 4.03Å; L102-M182 HydrophobicContact CD2-CE 4.3Å; L102-M182 HydrophobicContact CD2-SD 3.8Å; F171-M182 HydrophobicContact CE1-CG 4.37Å; F172-M182 HydrophobicContact CD1-CB 3.86Å; F172-M182 HydrophobicContact CD1-CG 3.98Å; F172-M182 HydrophobicContact CD1-SD 4.14Å; F172-M182 HydrophobicContact CE1-CB 3.88Å; F172-M182 HydrophobicContact CE1-CG 4.37Å; F172-M182 WeakPolarHBondContact CE1-O 3.43Å; L173-M182 WeakPolarHBondContact O-CE 3.47Å; N178-M182 HydrophobicContact CB-CE 4.43Å; N178-M182 PolarHBondContact O-N 2.9Å; V179-M182 HydrophobicContact CB-CE 4.41Å; V179-M182 HydrophobicContact CG2-CE 3.93Å; V179-M182 PolarHBondContact O-N 3.45Å; M182-H184 PolarHBondContact O-N 3.08Å; M182-Q185 PolarHBondContact O-N 3.48Å; M182-L186 WeakPolarHBondContact O-CB 3.4Å; M182-L186 PolarHBondContact O-N 2.75Å |
| 183 | A | 79.3 | Confident | 81.9 | Confident | 5 Ų | 5 | 24.7 Ų | 24.7 | 4% | 0.041 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.5 | -49.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L44 L48 V179 Q185 L186 D187 | L44-A183 VanDerWaalsContact CD1-CA 3.41Å; L44-A183 HydrophobicContact CD1-CB 3.5Å; L44-A183 VanDerWaalsContact CD1-CB 3.5Å; L44-A183 WeakPolarHBondContact CD1-O 3.5Å; L48-A183 HydrophobicContact CD2-CB 4.03Å; L48-A183 HydrophobicContact CG-CB 4.47Å; V179-A183 VanDerWaalsContact O-CB 3.24Å; V179-A183 WeakPolarHBondContact O-CB 3.32Å; V179-A183 PolarHBondContact O-N 3.16Å; A183-Q185 PolarHBondContact O-N 3.43Å; A183-L186 PolarHBondContact O-N 2.87Å; A183-D187 PolarHBondContact O-N 2.85Å |
| 184 | H | 78.9 | Confident | 82.1 | Confident | 37 Ų | 37 | 24.9 Ų | 24.9 | 17% | 0.171 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.1 | -42.2 | 178.4 | -179.3 | 70.4 | 0 | 0 | 0 | 113.1 | D180 V181 M182 L186 D187 R188 A483 A486 | D180-H184 WeakPolarHBondContact O-CB 3.4Å; D180-H184 PolarHBondContact O-N 3.41Å; V181-H184 PolarHBondContact O-N 3.39Å; M182-H184 PolarHBondContact O-N 3.08Å; H184-L186 VanDerWaalsContact C-N 3.35Å; H184-D187 PolarHBondContact O-N 2.92Å; H184-R188 PolarHBondContact O-N 3.38Å; H184-A483 WeakPolarHBondContact NE2-CA 3.12Å; H184-A486 HydrophobicContact CB-CB 3.6Å; H184-A486 WeakPolarHBondContact CD2-CB 3.46Å |
| 185 | Q | 82.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.9 | -35.2 | 177.2 | -66.5 | -52.4 | -38.4 | 0 | 0 | 112.1 | R166 F171 V181 M182 A183 R188 C189 L487 | R166-Q185 VanDerWaalsContact NH1-CG 3.3Å; F171-Q185 HydrophobicContact CE1-CB 3.73Å; F171-Q185 HydrophobicContact CE1-CG 3.51Å; F171-Q185 HydrophobicContact CZ-CB 4.19Å; F171-Q185 HydrophobicContact CZ-CG 3.44Å; F171-Q185 VanDerWaalsContact CZ-CG 3.44Å; V181-Q185 WeakPolarHBondContact O-CG 3.48Å; V181-Q185 PolarHBondContact O-N 2.91Å; M182-Q185 PolarHBondContact O-N 3.48Å; A183-Q185 PolarHBondContact O-N 3.43Å; Q185-R188 PolarHBondContact O-N 3.23Å; Q185-C189 PolarHBondContact O-N 3.18Å; Q185-C189 PolarHBondContact O-SG 3.25Å; Q185-L487 VanDerWaalsContact NE2-CD1 3.27Å |
| 186 | L | 86.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.2 | -46.2 | 174 | -178.8 | 58 | 0 | 0 | 0 | 111 | R40 E43 L44 M47 T105 F172 M182 A183 H184 R188 C189 I190 | R40-L186 HydrophobicContact CB-CD1 4.47Å; E43-L186 HydrophobicContact CB-CD2 4.5Å; L44-L186 HydrophobicContact CB-CD2 4.3Å; M47-L186 HydrophobicContact CE-CD2 3.94Å; M47-L186 HydrophobicContact SD-CD2 4.35Å; T105-L186 HydrophobicContact CG2-CD1 3.83Å; T105-L186 HydrophobicContact CG2-CD2 4.03Å; F172-L186 HydrophobicContact CE1-CB 4.18Å; F172-L186 HydrophobicContact CZ-CB 4.26Å; M182-L186 WeakPolarHBondContact O-CB 3.4Å; M182-L186 PolarHBondContact O-N 2.75Å; A183-L186 PolarHBondContact O-N 2.87Å; H184-L186 VanDerWaalsContact C-N 3.35Å; L186-R188 VanDerWaalsContact C-N 3.34Å; L186-R188 PolarHBondContact O-N 3.28Å; L186-C189 WeakPolarHBondContact O-CB 3.4Å; L186-C189 PolarHBondContact O-N 3.32Å; L186-C189 VanDerWaalsContact O-N 3.16Å; L186-I190 HydrophobicContact CD1-CG1 4.49Å; L186-I190 HydrophobicContact CG-CD1 4.15Å; L186-I190 VanDerWaalsContact O-CG1 3.28Å; L186-I190 WeakPolarHBondContact O-CG1 3.35Å; L186-I190 PolarHBondContact O-N 3.17Å |
| 187 | D | 84.8 | Confident | 83.2 | Confident | 56 Ų | 56 | 23.1 Ų | 23.1 | 30% | 0.299 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -57.3 | -46.9 | 173.7 | 178.4 | 52.6 | 0 | 0 | 0 | 111.3 | L44 A183 H184 C189 I190 Q191 | L44-D187 HydrophobicContact CD2-CB 4.02Å; A183-D187 PolarHBondContact O-N 2.85Å; H184-D187 PolarHBondContact O-N 2.92Å; D187-C189 VanDerWaalsContact C-N 3.29Å; D187-C189 PolarHBondContact O-N 2.84Å; D187-I190 WeakPolarHBondContact O-CB 3.28Å; D187-I190 PolarHBondContact O-N 2.7Å; D187-Q191 WeakPolarHBondContact O-CG 3.37Å; D187-Q191 PolarHBondContact O-N 2.86Å; D187-Q191 PolarHBondContact OD1-NE2 3.19Å |
| 188 | R | 82.9 | Confident | 83.9 | Confident | 37 Ų | 37 | 22.3 Ų | 22.3 | 14% | 0.14 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.4 | -40.5 | 176.3 | -171.4 | 176 | 173.7 | -148.3 | -3.7 | 112.5 | V163 H184 Q185 L186 T192 E381 | V163-R188 HydrophobicContact CG1-CG 4.19Å; H184-R188 PolarHBondContact O-N 3.38Å; Q185-R188 PolarHBondContact O-N 3.23Å; L186-R188 VanDerWaalsContact C-N 3.34Å; L186-R188 PolarHBondContact O-N 3.28Å; R188-T192 WeakPolarHBondContact O-CB 3.34Å; R188-T192 PolarHBondContact O-N 3.04Å; R188-T192 PolarHBondContact O-OG1 3Å; R188-E381 IonicContact CZ-OE1 2.63Å; R188-E381 IonicContact NE-OE1 2.79Å; R188-E381 PolarHBondContact NE-OE1 2.84Å; R188-E381 IonicContact NH2-OE1 3.62Å; R188-E381 PolarHBondContact NH2-OE1 2.94Å |
| 189 | C | 89.1 | Confident | 84.4 | Confident | 9 Ų | 9 | 23.3 Ų | 23.3 | 6% | 0.061 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.9 | -46.6 | 173.2 | -74.9 | 0 | 0 | 0 | 0 | 111.6 | F164 Q185 L186 D187 T192 A193 | F164-C189 HydrophobicContact CD1-CB 4.45Å; F164-C189 HydrophobicContact CE1-CB 3.83Å; Q185-C189 PolarHBondContact O-N 3.18Å; Q185-C189 PolarHBondContact O-SG 3.25Å; L186-C189 WeakPolarHBondContact O-CB 3.4Å; L186-C189 PolarHBondContact O-N 3.32Å; L186-C189 VanDerWaalsContact O-N 3.16Å; D187-C189 VanDerWaalsContact C-N 3.29Å; D187-C189 PolarHBondContact O-N 2.84Å; C189-T192 PolarHBondContact O-N 2.78Å; C189-A193 VanDerWaalsContact O-CB 3.25Å; C189-A193 WeakPolarHBondContact O-CB 3.25Å; C189-A193 PolarHBondContact O-N 2.82Å |
| 190 | I | 88.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.4 | -51.7 | 178.3 | -65.8 | 164.7 | 0 | 0 | 0 | 110.5 | W36 M37 R40 E41 L186 D187 T192 A193 K194 | W36-I190 HydrophobicContact CZ3-CG1 4.42Å; M37-I190 HydrophobicContact CG-CG2 3.83Å; R40-I190 HydrophobicContact CB-CD1 3.51Å; R40-I190 HydrophobicContact CB-CG1 3.65Å; R40-I190 HydrophobicContact CG-CG1 4.41Å; E41-I190 HydrophobicContact CG-CD1 4.22Å; L186-I190 HydrophobicContact CD1-CG1 4.49Å; L186-I190 HydrophobicContact CG-CD1 4.15Å; L186-I190 VanDerWaalsContact O-CG1 3.28Å; L186-I190 WeakPolarHBondContact O-CG1 3.35Å; L186-I190 PolarHBondContact O-N 3.17Å; D187-I190 WeakPolarHBondContact O-CB 3.28Å; D187-I190 PolarHBondContact O-N 2.7Å; I190-T192 VanDerWaalsContact C-N 3.32Å; I190-T192 PolarHBondContact O-N 2.64Å; I190-A193 PolarHBondContact O-N 2.84Å; I190-K194 WeakPolarHBondContact O-CB 3.29Å; I190-K194 PolarHBondContact O-N 3.49Å |
| 191 | Q | 88.1 | Confident | 84.9 | Confident | 74 Ų | 74 | 26 Ų | 26 | 35% | 0.346 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -64.1 | -37.1 | -177.9 | -61.3 | -51.9 | -35.5 | 0 | 0 | 112.1 | D187 K194 K195 | D187-Q191 WeakPolarHBondContact O-CG 3.37Å; D187-Q191 PolarHBondContact O-N 2.86Å; D187-Q191 PolarHBondContact OD1-NE2 3.19Å; Q191-K194 WeakPolarHBondContact O-CB 3.33Å; Q191-K194 PolarHBondContact O-N 3.38Å; Q191-K195 WeakPolarHBondContact O-CG 3.36Å; Q191-K195 PolarHBondContact O-N 3.22Å |
| 192 | T | 87.3 | Confident | 84.7 | Confident | 6 Ų | 6 | 34 Ų | 34 | 4% | 0.037 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.9 | -43.9 | 178.1 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | L160 V163 F164 R188 C189 I190 K194 K195 I196 | L160-T192 HydrophobicContact CB-CG2 4.16Å; V163-T192 HydrophobicContact CB-CG2 4.22Å; V163-T192 HydrophobicContact CG2-CG2 3.89Å; F164-T192 HydrophobicContact CE2-CG2 3.83Å; F164-T192 HydrophobicContact CZ-CG2 4Å; R188-T192 WeakPolarHBondContact O-CB 3.34Å; R188-T192 PolarHBondContact O-N 3.04Å; R188-T192 PolarHBondContact O-OG1 3Å; C189-T192 PolarHBondContact O-N 2.78Å; I190-T192 VanDerWaalsContact C-N 3.32Å; I190-T192 PolarHBondContact O-N 2.64Å; T192-K194 PolarHBondContact O-N 2.93Å; T192-K195 PolarHBondContact O-N 3.17Å; T192-K195 VanDerWaalsContact O-N 3.17Å; T192-I196 HydrophobicContact CG2-CD1 4.1Å; T192-I196 WeakPolarHBondContact O-CG1 3.37Å; T192-I196 PolarHBondContact O-N 3.17Å |
| 193 | A | 92 | Very high | 83.8 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.9 | -36.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F33 W36 L112 F164 C189 I190 I196 C197 | F33-A193 HydrophobicContact CE2-CB 3.78Å; F33-A193 HydrophobicContact CZ-CB 4.2Å; W36-A193 HydrophobicContact CH2-CB 4.35Å; W36-A193 HydrophobicContact CZ3-CB 4.12Å; L112-A193 HydrophobicContact CD1-CB 4.06Å; L112-A193 HydrophobicContact CD2-CB 4.37Å; F164-A193 HydrophobicContact CZ-CB 4.19Å; C189-A193 VanDerWaalsContact O-CB 3.25Å; C189-A193 WeakPolarHBondContact O-CB 3.25Å; C189-A193 PolarHBondContact O-N 2.82Å; I190-A193 PolarHBondContact O-N 2.84Å; A193-I196 PolarHBondContact O-N 3.46Å; A193-C197 WeakPolarHBondContact O-CB 3.13Å; A193-C197 PolarHBondContact O-N 3.44Å; A193-C197 PolarHBondContact O-SG 3.46Å |
| 194 | K | 90.8 | Very high | 83.1 | Confident | 71 Ų | 71 | 35.6 Ų | 35.6 | 31% | 0.309 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.6 | -49.1 | 173.9 | -177.6 | 177.7 | -175.2 | 172.5 | 0 | 112.5 | F33 M37 I190 Q191 T192 I196 C197 D198 | F33-K194 VanDerWaalsContact CE1-CA 3.44Å; F33-K194 HydrophobicContact CE1-CB 3.86Å; F33-K194 HydrophobicContact CE1-CG 4.08Å; F33-K194 HydrophobicContact CZ-CB 3.74Å; F33-K194 HydrophobicContact CZ-CG 4.45Å; F33-K194 VanDerWaalsContact CZ-N 3.27Å; M37-K194 HydrophobicContact CE-CB 3.82Å; M37-K194 HydrophobicContact CE-CD 3.7Å; M37-K194 HydrophobicContact CE-CG 3.73Å; M37-K194 HydrophobicContact SD-CD 4.46Å; I190-K194 WeakPolarHBondContact O-CB 3.29Å; I190-K194 PolarHBondContact O-N 3.49Å; Q191-K194 WeakPolarHBondContact O-CB 3.33Å; Q191-K194 PolarHBondContact O-N 3.38Å; T192-K194 PolarHBondContact O-N 2.93Å; K194-I196 VanDerWaalsContact C-N 3.3Å; K194-I196 PolarHBondContact O-N 3.1Å; K194-C197 PolarHBondContact O-N 2.64Å; K194-D198 VanDerWaalsContact O-CB 3.27Å; K194-D198 WeakPolarHBondContact O-CB 3.32Å; K194-D198 PolarHBondContact O-N 2.82Å |
| 195 | K | 87.8 | Confident | 82.5 | Confident | 91 Ų | 91 | 34.4 Ų | 34.4 | 40% | 0.396 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.1 | -41.9 | 177.8 | -70 | 173.6 | -179.7 | 179.9 | 0 | 111.9 | Q191 T192 K199 M388 | Q191-K195 WeakPolarHBondContact O-CG 3.36Å; Q191-K195 PolarHBondContact O-N 3.22Å; T192-K195 PolarHBondContact O-N 3.17Å; T192-K195 VanDerWaalsContact O-N 3.17Å; K195-K199 WeakPolarHBondContact O-CB 3.45Å; K195-K199 PolarHBondContact O-N 2.88Å; K195-K199 VanDerWaalsContact O-N 3.14Å; K195-M388 HydrophobicContact CD-CE 3.93Å; K195-M388 HydrophobicContact CD-SD 4.1Å; K195-M388 PolarHBondContact NZ-SD 2.68Å |
| 196 | I | 89.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.1 | -52.3 | 177.5 | -68.6 | 166.2 | 0 | 0 | 0 | 110.2 | F115 L116 I157 L160 L161 F164 T192 A193 K194 K199 M200 | F115-I196 HydrophobicContact CE1-CG2 3.57Å; F115-I196 HydrophobicContact CZ-CG2 3.66Å; L116-I196 HydrophobicContact CD2-CD1 4.28Å; I157-I196 HydrophobicContact CD1-CG2 3.87Å; L160-I196 HydrophobicContact CB-CD1 4.08Å; L160-I196 HydrophobicContact CB-CG1 4.09Å; L160-I196 HydrophobicContact CD1-CG1 4.09Å; L161-I196 HydrophobicContact CD1-CD1 3.79Å; F164-I196 HydrophobicContact CE2-CD1 3.77Å; F164-I196 HydrophobicContact CZ-CD1 4.49Å; T192-I196 HydrophobicContact CG2-CD1 4.1Å; T192-I196 WeakPolarHBondContact O-CG1 3.37Å; T192-I196 PolarHBondContact O-N 3.17Å; A193-I196 PolarHBondContact O-N 3.46Å; K194-I196 VanDerWaalsContact C-N 3.3Å; K194-I196 PolarHBondContact O-N 3.1Å; I196-K199 PolarHBondContact O-N 2.67Å; I196-M200 HydrophobicContact CG2-SD 4.14Å; I196-M200 WeakPolarHBondContact O-CG 3.14Å; I196-M200 PolarHBondContact O-N 2.97Å |
| 197 | C | 89.8 | Confident | 79.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.9 | -46.6 | -179.4 | -67.5 | 0 | 0 | 0 | 0 | 112.1 | F33 A193 K194 K199 M200 E201 | F33-C197 HydrophobicContact CB-CB 4.38Å; F33-C197 HydrophobicContact CD1-CB 3.67Å; F33-C197 HydrophobicContact CD2-CB 4.21Å; F33-C197 WeakPolarHBondContact CD2-SG 3.32Å; F33-C197 HydrophobicContact CE1-CB 3.97Å; F33-C197 HydrophobicContact CG-CB 3.81Å; F33-C197 VanDerWaalsContact CG-SG 3.58Å; F33-C197 HydrophobicContact CZ-CB 4.42Å; A193-C197 WeakPolarHBondContact O-CB 3.13Å; A193-C197 PolarHBondContact O-N 3.44Å; A193-C197 PolarHBondContact O-SG 3.46Å; K194-C197 PolarHBondContact O-N 2.64Å; C197-K199 PolarHBondContact O-N 2.93Å; C197-M200 PolarHBondContact O-N 2.9Å; C197-M200 VanDerWaalsContact O-N 3.16Å; C197-E201 VanDerWaalsContact O-CB 3.32Å; C197-E201 WeakPolarHBondContact O-CB 3.45Å; C197-E201 PolarHBondContact O-N 2.6Å |
| 198 | D | 85.4 | Confident | 78.4 | Confident | 43 Ų | 43 | 42.7 Ų | 42.7 | 23% | 0.23 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.3 | -39.2 | 178.2 | -76.3 | -5.7 | 0 | 0 | 0 | 111.4 | K194 K202 | K194-D198 VanDerWaalsContact O-CB 3.27Å; K194-D198 WeakPolarHBondContact O-CB 3.32Å; K194-D198 PolarHBondContact O-N 2.82Å; D198-K202 VanDerWaalsContact O-CB 3.28Å; D198-K202 WeakPolarHBondContact O-CB 3.19Å; D198-K202 WeakPolarHBondContact O-CD 3.35Å; D198-K202 WeakPolarHBondContact O-CG 3.44Å; D198-K202 PolarHBondContact O-N 3.5Å |
| 199 | K | 82 | Confident | 76.9 | Confident | 25 Ų | 25 | 45.5 Ų | 45.5 | 11% | 0.109 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -71.6 | -43.9 | 178.4 | -172.4 | 61.7 | 171.6 | -162.9 | 0 | 111.2 | I157 K195 I196 C197 S203 V391 S394 | I157-K199 HydrophobicContact CG2-CB 4.14Å; I157-K199 HydrophobicContact CG2-CG 3.78Å; K195-K199 WeakPolarHBondContact O-CB 3.45Å; K195-K199 PolarHBondContact O-N 2.88Å; K195-K199 VanDerWaalsContact O-N 3.14Å; I196-K199 PolarHBondContact O-N 2.67Å; C197-K199 PolarHBondContact O-N 2.93Å; K199-S203 WeakPolarHBondContact O-CB 3.2Å; K199-S203 PolarHBondContact O-N 3.45Å; K199-S203 VanDerWaalsContact O-N 3.14Å; K199-S203 PolarHBondContact O-OG 2.6Å; K199-V391 HydrophobicContact CB-CG1 4.4Å; K199-V391 HydrophobicContact CD-CG1 3.76Å; K199-V391 HydrophobicContact CG-CG1 3.96Å; K199-V391 PolarHBondContact NZ-O 3.3Å; K199-S394 PolarHBondContact NZ-O 3.03Å |
| 200 | M | 82.4 | Confident | 74.8 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.9 | -43 | 179.7 | -73.6 | -173.1 | 54.5 | 0 | 0 | 112.5 | A26 F115 V119 I157 I196 C197 S203 C204 F205 | A26-M200 HydrophobicContact CB-CE 3.51Å; F115-M200 HydrophobicContact CE2-CE 4.03Å; F115-M200 HydrophobicContact CE2-SD 4.06Å; F115-M200 HydrophobicContact CZ-CE 4.33Å; F115-M200 HydrophobicContact CZ-SD 3.74Å; V119-M200 HydrophobicContact CG2-CE 3.99Å; V119-M200 HydrophobicContact CG2-SD 3.6Å; I157-M200 HydrophobicContact CD1-CG 3.41Å; I157-M200 VanDerWaalsContact CD1-CG 3.41Å; I157-M200 HydrophobicContact CD1-SD 3.44Å; I157-M200 WeakPolarHBondContact CD1-SD 3.36Å; I196-M200 HydrophobicContact CG2-SD 4.14Å; I196-M200 WeakPolarHBondContact O-CG 3.14Å; I196-M200 PolarHBondContact O-N 2.97Å; C197-M200 PolarHBondContact O-N 2.9Å; C197-M200 VanDerWaalsContact O-N 3.16Å; M200-S203 PolarHBondContact O-N 3.21Å; M200-C204 WeakPolarHBondContact O-CA 3.49Å; M200-C204 WeakPolarHBondContact O-CB 3.2Å; M200-C204 PolarHBondContact O-N 3.47Å; M200-F205 HydrophobicContact CB-CD2 4.31Å; M200-F205 HydrophobicContact CB-CE2 3.89Å; M200-F205 HydrophobicContact CE-CE2 3.4Å; M200-F205 HydrophobicContact CE-CZ 3.6Å |
| 201 | E | 78.9 | Confident | 73.1 | Confident | 91 Ų | 91 | 55.3 Ų | 55.3 | 43% | 0.425 | 29% | 0.289 | S | S | . | . | I | π-helix | trans | -64.8 | -49.4 | 179.4 | -171.2 | 178.2 | -170 | 0 | 0 | 111.6 | C197 S203 F205 | C197-E201 VanDerWaalsContact O-CB 3.32Å; C197-E201 WeakPolarHBondContact O-CB 3.45Å; C197-E201 PolarHBondContact O-N 2.6Å; E201-S203 PolarHBondContact O-N 3.08Å; E201-F205 PolarHBondContact O-N 2.81Å |
| 202 | K | 68.8 | Low | 71.7 | Confident | 169 Ų | 169 | 53 Ų | 53 | 74% | 0.735 | 28% | 0.279 | S | S | * | . | I | π-helix | trans | -61.6 | -32 | 177.6 | -73.5 | 173.4 | -174.1 | 166 | 0 | 113.2 | D198 | D198-K202 VanDerWaalsContact O-CB 3.28Å; D198-K202 WeakPolarHBondContact O-CB 3.19Å; D198-K202 WeakPolarHBondContact O-CD 3.35Å; D198-K202 WeakPolarHBondContact O-CG 3.44Å; D198-K202 PolarHBondContact O-N 3.5Å |
| 203 | S | 63.3 | Low | 70 | Confident | 30 Ų | 30 | 61.2 Ų | 61.2 | 21% | 0.21 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -94.3 | -24.9 | -172.7 | -52 | 0 | 0 | 0 | 0 | 113.1 | V149 K199 M200 E201 | V149-S203 WeakPolarHBondContact CG1-O 3.48Å; K199-S203 WeakPolarHBondContact O-CB 3.2Å; K199-S203 PolarHBondContact O-N 3.45Å; K199-S203 VanDerWaalsContact O-N 3.14Å; K199-S203 PolarHBondContact O-OG 2.6Å; M200-S203 PolarHBondContact O-N 3.21Å; E201-S203 PolarHBondContact O-N 3.08Å |
| 204 | C | 66.1 | Low | 68.6 | Low | 7 Ų | 7 | 63.9 Ų | 63.9 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | I | π-helix | trans | -137.1 | -31.4 | -159 | -54.2 | 0 | 0 | 0 | 0 | 115.9 | L146 V150 M200 V208 | L146-C204 WeakPolarHBondContact CD1-O 3.49Å; V150-C204 HydrophobicContact CB-CB 4.5Å; V150-C204 HydrophobicContact CG2-CB 3.6Å; M200-C204 WeakPolarHBondContact O-CA 3.49Å; M200-C204 WeakPolarHBondContact O-CB 3.2Å; M200-C204 PolarHBondContact O-N 3.47Å; C204-V208 WeakPolarHBondContact O-CG2 3.36Å |
| 205 | F | 66.3 | Low | 67.4 | Low | 13 Ų | 13 | 68.4 Ų | 68.4 | 6% | 0.057 | 37% | 0.368 | C | S | . | . | I | π-helix | trans | -118.7 | 6.5 | -158.7 | -58.4 | -45.8 | 0 | 0 | 0 | 117 | A26 C30 V150 M200 E201 D207 V208 | A26-F205 HydrophobicContact CB-CE2 4.11Å; A26-F205 HydrophobicContact CB-CZ 3.75Å; C30-F205 HydrophobicContact CB-CD2 4.34Å; V150-F205 HydrophobicContact CG1-CE1 4.28Å; V150-F205 HydrophobicContact CG1-CZ 4.2Å; V150-F205 HydrophobicContact CG2-CE1 4.03Å; M200-F205 HydrophobicContact CB-CD2 4.31Å; M200-F205 HydrophobicContact CB-CE2 3.89Å; M200-F205 HydrophobicContact CE-CE2 3.4Å; M200-F205 HydrophobicContact CE-CZ 3.6Å; E201-F205 PolarHBondContact O-N 2.81Å; F205-D207 PolarHBondContact O-N 2.82Å; F205-V208 HydrophobicContact CB-CB 4.49Å; F205-V208 HydrophobicContact CD1-CB 3.91Å; F205-V208 HydrophobicContact CD1-CG1 4.02Å; F205-V208 HydrophobicContact CD1-CG2 3.92Å; F205-V208 HydrophobicContact CE1-CG1 4.49Å; F205-V208 PolarHBondContact O-N 2.89Å |
| 206 | S | 57.8 | Low | 66.7 | Low | 102 Ų | 102 | 64.3 Ų | 64.3 | 71% | 0.713 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -22.5 | 179.8 | 53.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 207 | D | 53.8 | Low | 66.1 | Low | 122 Ų | 122 | 70.4 Ų | 70.4 | 65% | 0.652 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.2 | 2.2 | -178.9 | -74 | -46 | 0 | 0 | 0 | 115 | F205 | F205-D207 PolarHBondContact O-N 2.82Š|
| 208 | V | 55.3 | Low | 65.8 | Low | 5 Ų | 5 | 71.7 Ų | 71.7 | 3% | 0.03 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -85.3 | -26.5 | -162.4 | 176.9 | 0 | 0 | 0 | 0 | 114.7 | L146 C204 F205 L210 Q211 L212 | L146-V208 HydrophobicContact CD1-CG2 3.83Å; L146-V208 HydrophobicContact CD2-CG2 3.59Å; L146-V208 HydrophobicContact CG-CG2 4.24Å; C204-V208 WeakPolarHBondContact O-CG2 3.36Å; F205-V208 HydrophobicContact CB-CB 4.49Å; F205-V208 HydrophobicContact CD1-CB 3.91Å; F205-V208 HydrophobicContact CD1-CG1 4.02Å; F205-V208 HydrophobicContact CD1-CG2 3.92Å; F205-V208 HydrophobicContact CE1-CG1 4.49Å; F205-V208 PolarHBondContact O-N 2.89Å; V208-L210 PolarHBondContact O-N 2.74Å; V208-Q211 PolarHBondContact O-N 3.44Å; V208-L212 HydrophobicContact CG1-CD1 3.58Å |
| 209 | S | 50.8 | Low | 65.6 | Low | 96 Ų | 96 | 73.6 Ų | 73.6 | 67% | 0.671 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -65.2 | -7.5 | -170.3 | 52.1 | 0 | 0 | 0 | 0 | 115.6 | ||
| 210 | L | 46.3 | Very low | 65.5 | Low | 156 Ų | 156 | 73.8 Ų | 73.8 | 82% | 0.817 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -115.9 | -6.8 | -177.4 | -66.2 | 172.6 | 0 | 0 | 0 | 114.5 | V208 | V208-L210 PolarHBondContact O-N 2.74Š|
| 211 | Q | 52.1 | Low | 65 | Low | 59 Ų | 59 | 75.6 Ų | 75.6 | 28% | 0.276 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -13.8 | -164.9 | -68.2 | -178.7 | -18.1 | 0 | 0 | 115.8 | V142 V208 M213 | V142-Q211 HydrophobicContact CG2-CB 3.91Å; V208-Q211 PolarHBondContact O-N 3.44Å; Q211-M213 PolarHBondContact O-N 3.25Å; Q211-M213 VanDerWaalsContact O-N 3.13Å |
| 212 | L | 59.1 | Low | 64.5 | Low | 27 Ų | 27 | 77.2 Ų | 77.2 | 14% | 0.141 | 44% | 0.435 | C | S | . | . | trans | -81.6 | 20.9 | -175.4 | -94.5 | 88 | 0 | 0 | 0 | 115.4 | L20 M23 Q24 V142 V208 | L20-L212 HydrophobicContact CB-CD2 3.69Å; L20-L212 HydrophobicContact CD2-CD2 4.1Å; L20-L212 HydrophobicContact CD2-CG 4.46Å; L20-L212 HydrophobicContact CG-CD2 4.43Å; L20-L212 WeakPolarHBondContact O-CD2 3.42Å; M23-L212 HydrophobicContact CB-CD2 4.4Å; Q24-L212 HydrophobicContact CB-CD2 4.07Å; V142-L212 HydrophobicContact CG2-CD1 4.04Å; V142-L212 HydrophobicContact CG2-CG 4.35Å; V208-L212 HydrophobicContact CG1-CD1 3.58Å | ||
| 213 | M | 52.3 | Low | 64.9 | Low | 178 Ų | 178 | 76.5 Ų | 76.5 | 88% | 0.877 | 44% | 0.439 | S | S | * | . | trans | -88.2 | 110.3 | 175.6 | -70.6 | -139.7 | -166.7 | 0 | 0 | 111.5 | Q211 | Q211-M213 PolarHBondContact O-N 3.25Å; Q211-M213 VanDerWaalsContact O-N 3.13Å | ||
| 214 | G | 61.3 | Low | 65.8 | Low | 55 Ų | 55 | 76.3 Ų | 76.3 | 57% | 0.567 | 44% | 0.436 | S | S | * | . | S | Bend | trans | 146.7 | 169.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P139 | P139-G214 VanDerWaalsContact CB-C 3.45Å; P139-G214 WeakPolarHBondContact CB-O 3.45Å |
| 215 | E | 65.7 | Low | 66.9 | Low | 166 Ų | 166 | 79.2 Ų | 79.2 | 78% | 0.776 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -94.9 | 138.6 | 172.8 | -70.1 | -178.8 | 178.4 | 0 | 0 | 110.3 | Q217 | E215-Q217 PolarHBondContact O-N 2.68Š|
| 216 | A | 74.7 | Confident | 68 | Low | 6 Ų | 6 | 82.7 Ų | 82.7 | 5% | 0.05 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 128.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | V16 L136 H137 | V16-A216 HydrophobicContact CB-CB 4.21Å; V16-A216 HydrophobicContact CG1-CB 3.53Å; L136-A216 HydrophobicContact CD1-CB 4.3Å; H137-A216 WeakPolarHBondContact O-CA 3.31Å |
| 217 | Q | 77.2 | Confident | 69.5 | Low | 128 Ų | 128 | 84 Ų | 84 | 60% | 0.598 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 125.7 | 177.2 | -67.5 | -177.5 | 26.9 | 0 | 0 | 109.7 | H137 E215 | H137-Q217 HydrophobicContact CB-CB 4.29Å; H137-Q217 PolarHBondContact N-O 3.41Å; H137-Q217 PolarHBondContact O-N 3.31Å; E215-Q217 PolarHBondContact O-N 2.68Å |
| 218 | V | 81.5 | Confident | 71.2 | Confident | 27 Ų | 27 | 80 Ų | 80 | 16% | 0.164 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 111 | 176.1 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | A9 L12 T135 L136 L220 | A9-V218 HydrophobicContact CB-CB 4.36Å; A9-V218 HydrophobicContact CB-CG1 4.17Å; L12-V218 HydrophobicContact CB-CG2 4.27Å; L12-V218 HydrophobicContact CD2-CG1 3.85Å; L12-V218 HydrophobicContact CD2-CG2 4.11Å; L12-V218 HydrophobicContact CG-CG2 4.05Å; T135-V218 HydrophobicContact CG2-CG1 4.36Å; T135-V218 CarbonylContact O-C 3.6Å; L136-V218 HydrophobicContact CD1-CG2 4.19Å; V218-L220 HydrophobicContact CG1-CD2 4Å; V218-L220 HydrophobicContact CG1-CG 4.08Å |
| 219 | N | 81.6 | Confident | 72.9 | Confident | 82 Ų | 82 | 79.7 Ų | 79.7 | 44% | 0.439 | 45% | 0.447 | S | S | . | . | trans | -106.9 | 85.9 | 178.1 | -71.2 | -33.1 | 0 | 0 | 0 | 109.7 | T135 H137 G221 | T135-N219 WeakPolarHBondContact CA-O 3.47Å; T135-N219 PolarHBondContact O-N 3.1Å; H137-N219 PolarHBondContact CD2-ND2 3.02Å; H137-N219 PolarHBondContact NE2-ND2 3.37Å; N219-G221 PolarHBondContact O-N 3.32Å | ||
| 220 | L | 80 | Confident | 74.9 | Confident | 29 Ų | 29 | 79 Ų | 79 | 15% | 0.152 | 43% | 0.433 | C | S | . | . | trans | -68.3 | 117.6 | 174.5 | -60.9 | 176.5 | 0 | 0 | 0 | 109.6 | R5 L8 A9 T135 V218 V222 | R5-L220 HydrophobicContact CB-CD1 3.9Å; R5-L220 HydrophobicContact CG-CD1 4.26Å; R5-L220 WeakPolarHBondContact O-CD1 3.16Å; L8-L220 HydrophobicContact CB-CD1 4.31Å; L8-L220 HydrophobicContact CD2-CD1 4.09Å; L8-L220 HydrophobicContact CD2-CD2 3.73Å; L8-L220 HydrophobicContact CG-CD1 4.26Å; L8-L220 HydrophobicContact CG-CD2 4.15Å; A9-L220 HydrophobicContact CB-CD1 4.24Å; T135-L220 HydrophobicContact CG2-CD2 3.7Å; V218-L220 HydrophobicContact CG1-CD2 4Å; V218-L220 HydrophobicContact CG1-CG 4.08Å; L220-V222 PolarHBondContact O-N 3.06Å | ||
| 221 | G | 72.9 | Confident | 77.2 | Confident | 39 Ų | 39 | 76.3 Ų | 76.3 | 40% | 0.402 | 41% | 0.412 | S | S | . | . | trans | -52.6 | 137 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R5 N219 D223 L224 | R5-G221 PolarHBondContact NH1-O 2.96Å; N219-G221 PolarHBondContact O-N 3.32Å; G221-D223 PolarHBondContact O-N 3.03Å; G221-L224 WeakPolarHBondContact O-CB 3.45Å; G221-L224 PolarHBondContact O-N 3.34Å | ||
| 222 | V | 68.6 | Low | 79.3 | Confident | 126 Ų | 126 | 73.5 Ų | 73.5 | 76% | 0.764 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -34.1 | -179.5 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | R5 L220 L224 | R5-V222 PolarHBondContact NH2-O 2.93Å; L220-V222 PolarHBondContact O-N 3.06Å; V222-L224 PolarHBondContact O-N 3.16Å |
| 223 | D | 75.9 | Confident | 81 | Confident | 153 Ų | 153 | 72.5 Ų | 72.5 | 82% | 0.818 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -1.9 | -176.3 | -53.5 | -45.4 | 0 | 0 | 0 | 114.9 | G221 P225 | G221-D223 PolarHBondContact O-N 3.03Å; D223-P225 WeakPolarHBondContact O-CD 3.31Å |
| 224 | L | 83.5 | Confident | 83.1 | Confident | 26 Ų | 26 | 67.7 Ų | 67.7 | 14% | 0.136 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -63.9 | 119.8 | 179.5 | -173.9 | 66 | 0 | 0 | 0 | 110.9 | R5 G221 V222 D228 V229 M232 P556 | R5-L224 PolarHBondContact NH2-O 3.38Å; G221-L224 WeakPolarHBondContact O-CB 3.45Å; G221-L224 PolarHBondContact O-N 3.34Å; V222-L224 PolarHBondContact O-N 3.16Å; L224-D228 HydrophobicContact CD1-CB 3.95Å; L224-D228 HydrophobicContact CG-CB 4.32Å; L224-V229 HydrophobicContact CD2-CG2 3.74Å; L224-V229 HydrophobicContact CG-CG2 4Å; L224-M232 HydrophobicContact CD2-SD 3.96Å; L224-P556 HydrophobicContact CD1-CG 3.81Å |
| 225 | P | 88.8 | Confident | 84.8 | Confident | 69 Ų | 69 | 66 Ų | 66 | 45% | 0.448 | 35% | 0.348 | S | S | . | . | trans | -57.2 | 141.8 | -179.6 | -26.2 | 35.4 | 0 | 0 | 0 | 112.6 | D223 N227 D228 V229 | D223-P225 WeakPolarHBondContact O-CD 3.31Å; P225-N227 PolarHBondContact O-N 2.86Å; P225-D228 HydrophobicContact CB-CB 4.45Å; P225-D228 VanDerWaalsContact CD-OD2 3.31Å; P225-D228 WeakPolarHBondContact CD-OD2 3.39Å; P225-D228 VanDerWaalsContact CG-OD2 3.28Å; P225-D228 WeakPolarHBondContact CG-OD2 2.99Å; P225-D228 WeakPolarHBondContact O-CB 3.31Å; P225-D228 PolarHBondContact O-N 3.46Å; P225-V229 PolarHBondContact O-N 2.89Å | ||
| 226 | E | 88.2 | Confident | 86.2 | Confident | 85 Ų | 85 | 58.1 Ų | 58.1 | 40% | 0.397 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.8 | -28.8 | -177.3 | -162.5 | 67.9 | -168.2 | 0 | 0 | 112.5 | S2 R5 D228 V229 Q230 | S2-E226 WeakPolarHBondContact CB-OE1 3.22Å; S2-E226 PolarHBondContact OG-OE1 2.94Å; S2-E226 PolarHBondContact OG-OE2 3.14Å; R5-E226 IonicContact NE-OE2 3.76Å; R5-E226 PolarHBondContact NE-OE2 3.03Å; E226-D228 VanDerWaalsContact C-N 3.35Å; E226-V229 WeakPolarHBondContact O-CB 3.47Å; E226-V229 PolarHBondContact O-N 2.93Å; E226-Q230 PolarHBondContact O-N 3.41Å |
| 227 | N | 89.6 | Confident | 87.3 | Confident | 130 Ų | 130 | 60.4 Ų | 60.4 | 70% | 0.695 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -64.2 | -39.8 | 172.4 | -169.9 | 26.2 | 0 | 0 | 0 | 111.9 | P225 Q230 R231 | P225-N227 PolarHBondContact O-N 2.86Å; N227-Q230 PolarHBondContact O-N 3.27Å; N227-R231 WeakPolarHBondContact O-CB 3.36Å; N227-R231 PolarHBondContact O-N 3.43Å |
| 228 | D | 90.8 | Very high | 88.3 | Confident | 37 Ų | 37 | 58.4 Ų | 58.4 | 20% | 0.198 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.3 | -36.5 | 177.1 | -66.5 | -35.6 | 0 | 0 | 0 | 111.4 | L224 P225 E226 R231 M232 P556 | L224-D228 HydrophobicContact CD1-CB 3.95Å; L224-D228 HydrophobicContact CG-CB 4.32Å; P225-D228 HydrophobicContact CB-CB 4.45Å; P225-D228 VanDerWaalsContact CD-OD2 3.31Å; P225-D228 WeakPolarHBondContact CD-OD2 3.39Å; P225-D228 VanDerWaalsContact CG-OD2 3.28Å; P225-D228 WeakPolarHBondContact CG-OD2 2.99Å; P225-D228 WeakPolarHBondContact O-CB 3.31Å; P225-D228 PolarHBondContact O-N 3.46Å; E226-D228 VanDerWaalsContact C-N 3.35Å; D228-R231 PolarHBondContact O-N 3.41Å; D228-M232 WeakPolarHBondContact O-CB 2.8Å; D228-M232 WeakPolarHBondContact O-CG 3.28Å; D228-M232 PolarHBondContact O-N 3.12Å; D228-P556 HydrophobicContact CB-CG 4.45Å |
| 229 | V | 91.2 | Very high | 89 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.1 | -49.6 | 171.4 | 174.4 | 0 | 0 | 0 | 0 | 110.4 | A4 R5 L8 L224 P225 E226 M232 L233 | A4-V229 HydrophobicContact CB-CG1 3.98Å; R5-V229 HydrophobicContact CB-CG1 4.36Å; R5-V229 HydrophobicContact CG-CB 4.31Å; R5-V229 HydrophobicContact CG-CG1 3.67Å; R5-V229 HydrophobicContact CG-CG2 3.7Å; L8-V229 HydrophobicContact CB-CG1 4.36Å; L8-V229 HydrophobicContact CD2-CB 4.46Å; L8-V229 HydrophobicContact CD2-CG1 3.96Å; L224-V229 HydrophobicContact CD2-CG2 3.74Å; L224-V229 HydrophobicContact CG-CG2 4Å; P225-V229 PolarHBondContact O-N 2.89Å; E226-V229 WeakPolarHBondContact O-CB 3.47Å; E226-V229 PolarHBondContact O-N 2.93Å; V229-M232 PolarHBondContact O-N 3.18Å; V229-L233 WeakPolarHBondContact O-CB 3.4Å; V229-L233 PolarHBondContact O-N 3.14Å |
| 230 | Q | 92.8 | Very high | 89.7 | Confident | 80 Ų | 80 | 54.9 Ų | 54.9 | 37% | 0.374 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | -179.5 | -169.7 | 63 | 45.3 | 0 | 0 | 111.3 | E226 N227 M232 L233 D234 | E226-Q230 PolarHBondContact O-N 3.41Å; N227-Q230 PolarHBondContact O-N 3.27Å; Q230-M232 VanDerWaalsContact C-N 3.35Å; Q230-M232 PolarHBondContact O-N 3.06Å; Q230-L233 PolarHBondContact O-N 3.47Å; Q230-D234 PolarHBondContact NE2-OD1 3.11Å; Q230-D234 VanDerWaalsContact NE2-OD1 3.14Å; Q230-D234 VanDerWaalsContact O-CG 3.28Å; Q230-D234 PolarHBondContact O-N 2.86Å |
| 231 | R | 94.3 | Very high | 90.4 | Very high | 101 Ų | 101 | 59.7 Ų | 59.7 | 38% | 0.381 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.4 | -46.3 | 175.5 | -176.8 | -163.6 | 67.9 | 150.6 | 9.5 | 111.7 | N227 D228 D234 H235 P556 | N227-R231 WeakPolarHBondContact O-CB 3.36Å; N227-R231 PolarHBondContact O-N 3.43Å; D228-R231 PolarHBondContact O-N 3.41Å; R231-D234 PolarHBondContact O-N 3.24Å; R231-H235 VanDerWaalsContact O-CB 3.28Å; R231-H235 WeakPolarHBondContact O-CB 3.45Å; R231-H235 PolarHBondContact O-N 2.85Å; R231-P556 VanDerWaalsContact NH2-CA 3.31Å |
| 232 | M | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 178.1 | -72 | 174 | 71.6 | 0 | 0 | 111.9 | L8 L224 D228 V229 Q230 H235 I236 F554 Y555 | L8-M232 HydrophobicContact CD1-CB 3.84Å; L8-M232 HydrophobicContact CD2-CB 3.83Å; L8-M232 HydrophobicContact CD2-CE 4.35Å; L8-M232 HydrophobicContact CD2-SD 4.36Å; L224-M232 HydrophobicContact CD2-SD 3.96Å; D228-M232 WeakPolarHBondContact O-CB 2.8Å; D228-M232 WeakPolarHBondContact O-CG 3.28Å; D228-M232 PolarHBondContact O-N 3.12Å; V229-M232 PolarHBondContact O-N 3.18Å; Q230-M232 VanDerWaalsContact C-N 3.35Å; Q230-M232 PolarHBondContact O-N 3.06Å; M232-H235 PolarHBondContact O-N 3.44Å; M232-I236 WeakPolarHBondContact O-CG2 3.45Å; M232-I236 PolarHBondContact O-N 3.27Å; M232-F554 HydrophobicContact CB-CE2 4.35Å; M232-F554 HydrophobicContact CB-CZ 4.22Å; M232-F554 HydrophobicContact CE-CD1 4.09Å; M232-F554 HydrophobicContact CE-CE1 3.53Å; M232-F554 HydrophobicContact CE-CZ 3.93Å; M232-F554 WeakPolarHBondContact O-CE2 3.48Å; M232-Y555 HydrophobicContact CE-CD1 3.61Å; M232-Y555 HydrophobicContact CE-CE1 3.75Å |
| 233 | L | 95.2 | Very high | 92.7 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 176.5 | 176.3 | 57.4 | 0 | 0 | 0 | 111.1 | E7 L8 A11 V229 Q230 H235 I236 N237 | E7-L233 HydrophobicContact CB-CD1 4.16Å; E7-L233 HydrophobicContact CB-CD2 3.9Å; L8-L233 HydrophobicContact CB-CB 4.31Å; L8-L233 HydrophobicContact CB-CD1 4.5Å; L8-L233 HydrophobicContact CD1-CB 4.37Å; A11-L233 HydrophobicContact CB-CD1 4.18Å; V229-L233 WeakPolarHBondContact O-CB 3.4Å; V229-L233 PolarHBondContact O-N 3.14Å; Q230-L233 PolarHBondContact O-N 3.47Å; L233-H235 VanDerWaalsContact C-N 3.3Å; L233-H235 PolarHBondContact O-N 3.28Å; L233-I236 HydrophobicContact CD1-CG2 4.45Å; L233-I236 WeakPolarHBondContact O-CG2 3.33Å; L233-N237 WeakPolarHBondContact CD1-ND2 3.48Å; L233-N237 WeakPolarHBondContact O-CB 3.47Å; L233-N237 VanDerWaalsContact O-CG 3.29Å; L233-N237 PolarHBondContact O-N 3.34Å; L233-N237 VanDerWaalsContact O-N 3.15Å; L233-N237 PolarHBondContact O-ND2 2.99Å |
| 234 | D | 96 | Very high | 93.6 | Very high | 76 Ų | 76 | 48.8 Ų | 48.8 | 41% | 0.406 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.4 | -40.8 | 176.5 | -66.3 | -16.8 | 0 | 0 | 0 | 110.6 | Q230 R231 N237 Q238 | Q230-D234 PolarHBondContact NE2-OD1 3.11Å; Q230-D234 VanDerWaalsContact NE2-OD1 3.14Å; Q230-D234 VanDerWaalsContact O-CG 3.28Å; Q230-D234 PolarHBondContact O-N 2.86Å; R231-D234 PolarHBondContact O-N 3.24Å; D234-N237 PolarHBondContact O-N 2.73Å; D234-Q238 WeakPolarHBondContact O-CG 3.47Å; D234-Q238 PolarHBondContact O-N 2.84Å |
| 235 | H | 96.8 | Very high | 94.1 | Very high | 19 Ų | 19 | 49.3 Ų | 49.3 | 9% | 0.088 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.4 | -47.7 | 179.3 | -167.6 | -173.6 | 0 | 0 | 0 | 112.4 | R231 M232 L233 N237 Q238 L239 V549 T552 F554 | R231-H235 VanDerWaalsContact O-CB 3.28Å; R231-H235 WeakPolarHBondContact O-CB 3.45Å; R231-H235 PolarHBondContact O-N 2.85Å; M232-H235 PolarHBondContact O-N 3.44Å; L233-H235 VanDerWaalsContact C-N 3.3Å; L233-H235 PolarHBondContact O-N 3.28Å; H235-N237 VanDerWaalsContact C-N 3.26Å; H235-N237 PolarHBondContact O-N 3.47Å; H235-Q238 WeakPolarHBondContact O-CB 3.35Å; H235-Q238 PolarHBondContact O-N 3.06Å; H235-Q238 VanDerWaalsContact O-N 3.13Å; H235-L239 WeakPolarHBondContact O-CG 3.41Å; H235-L239 PolarHBondContact O-N 3.02Å; H235-V549 PolarHBondContact NE2-O 2.99Å; H235-T552 PolarHBondContact CE1-O 3.35Å; H235-F554 HydrophobicContact CB-CD2 4.4Å; H235-F554 HydrophobicContact CB-CE2 4.39Å; H235-F554 AromaticContact ND1-CD2 3.68Å |
| 236 | I | 96.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.5 | -33.4 | 179.3 | -162.8 | 63.4 | 0 | 0 | 0 | 111.8 | L8 A11 L12 Y15 V129 M232 L233 L239 H240 F554 | L8-I236 HydrophobicContact CD1-CG2 4.2Å; A11-I236 HydrophobicContact CB-CG2 3.66Å; L12-I236 HydrophobicContact CD1-CD1 4.03Å; L12-I236 HydrophobicContact CD1-CG1 4.47Å; Y15-I236 HydrophobicContact CD1-CD1 3.8Å; Y15-I236 HydrophobicContact CD2-CD1 3.94Å; Y15-I236 HydrophobicContact CE1-CD1 4.36Å; Y15-I236 HydrophobicContact CG-CD1 3.55Å; Y15-I236 HydrophobicContact CG-CG1 4.29Å; V129-I236 HydrophobicContact CG2-CD1 4.13Å; M232-I236 WeakPolarHBondContact O-CG2 3.45Å; M232-I236 PolarHBondContact O-N 3.27Å; L233-I236 HydrophobicContact CD1-CG2 4.45Å; L233-I236 WeakPolarHBondContact O-CG2 3.33Å; I236-L239 HydrophobicContact CD1-CD1 4.15Å; I236-L239 PolarHBondContact O-N 3.46Å; I236-H240 WeakPolarHBondContact O-CB 3.16Å; I236-H240 PolarHBondContact O-N 2.85Å; I236-F554 HydrophobicContact CB-CE2 3.79Å; I236-F554 HydrophobicContact CB-CZ 4.06Å; I236-F554 HydrophobicContact CD1-CE2 4.09Å; I236-F554 HydrophobicContact CD1-CZ 4.19Å; I236-F554 HydrophobicContact CG1-CE2 4.44Å; I236-F554 HydrophobicContact CG1-CZ 4.45Å |
| 237 | N | 96.9 | Very high | 94.7 | Very high | 54 Ų | 54 | 47.3 Ų | 47.3 | 29% | 0.289 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.3 | -40.5 | 174.3 | -76.3 | -36.8 | 0 | 0 | 0 | 111.8 | L233 D234 H235 H240 Q241 | L233-N237 WeakPolarHBondContact CD1-ND2 3.48Å; L233-N237 WeakPolarHBondContact O-CB 3.47Å; L233-N237 VanDerWaalsContact O-CG 3.29Å; L233-N237 PolarHBondContact O-N 3.34Å; L233-N237 VanDerWaalsContact O-N 3.15Å; L233-N237 PolarHBondContact O-ND2 2.99Å; D234-N237 PolarHBondContact O-N 2.73Å; H235-N237 VanDerWaalsContact C-N 3.26Å; H235-N237 PolarHBondContact O-N 3.47Å; N237-H240 PolarHBondContact O-N 2.97Å; N237-Q241 WeakPolarHBondContact O-CG 3.27Å; N237-Q241 PolarHBondContact O-N 3.04Å |
| 238 | Q | 97.5 | Very high | 94.9 | Very high | 86 Ų | 86 | 41.3 Ų | 41.3 | 40% | 0.402 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 172.7 | -70.5 | 173.6 | 42.7 | 0 | 0 | 111.5 | D234 H235 H240 Q241 I242 V549 | D234-Q238 WeakPolarHBondContact O-CG 3.47Å; D234-Q238 PolarHBondContact O-N 2.84Å; H235-Q238 WeakPolarHBondContact O-CB 3.35Å; H235-Q238 PolarHBondContact O-N 3.06Å; H235-Q238 VanDerWaalsContact O-N 3.13Å; Q238-H240 VanDerWaalsContact C-N 3.31Å; Q238-H240 PolarHBondContact O-N 3.33Å; Q238-Q241 PolarHBondContact O-N 3.05Å; Q238-I242 VanDerWaalsContact O-CG1 3.27Å; Q238-I242 WeakPolarHBondContact O-CG1 3.31Å; Q238-I242 PolarHBondContact O-N 3.27Å; Q238-V549 HydrophobicContact CB-CG1 4Å |
| 239 | L | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.6 | -41.3 | 176.3 | -69.5 | 176.1 | 0 | 0 | 0 | 112.1 | Y15 V129 H235 I236 I242 R243 V549 L550 F554 | Y15-L239 HydrophobicContact CE2-CB 3.79Å; V129-L239 HydrophobicContact CG2-CD1 3.57Å; H235-L239 WeakPolarHBondContact O-CG 3.41Å; H235-L239 PolarHBondContact O-N 3.02Å; I236-L239 HydrophobicContact CD1-CD1 4.15Å; I236-L239 PolarHBondContact O-N 3.46Å; L239-I242 PolarHBondContact O-N 3.39Å; L239-R243 PolarHBondContact O-N 3.38Å; L239-R243 VanDerWaalsContact O-N 3.08Å; L239-V549 HydrophobicContact CD2-CG1 3.98Å; L239-V549 HydrophobicContact CG-CG1 4.43Å; L239-L550 HydrophobicContact CD2-CD2 3.77Å; L239-F554 HydrophobicContact CD1-CD2 4.29Å |
| 240 | H | 96.2 | Very high | 95.1 | Very high | 36 Ų | 36 | 41.6 Ų | 41.6 | 17% | 0.167 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.3 | -45.4 | 175.3 | -177.7 | 81 | 0 | 0 | 0 | 111.7 | R14 Y15 E18 I236 N237 Q238 I242 R243 T244 | R14-H240 PolarHBondContact NH1-NE2 3.16Å; Y15-H240 HydrophobicContact CD2-CB 4.4Å; E18-H240 IonicContact OE1-CE1 3.83Å; E18-H240 IonicContact OE2-CE1 3.7Å; E18-H240 PolarHBondContact OE2-CE1 2.83Å; E18-H240 IonicContact OE2-ND1 3.46Å; E18-H240 PolarHBondContact OE2-ND1 3.5Å; I236-H240 WeakPolarHBondContact O-CB 3.16Å; I236-H240 PolarHBondContact O-N 2.85Å; N237-H240 PolarHBondContact O-N 2.97Å; Q238-H240 VanDerWaalsContact C-N 3.31Å; Q238-H240 PolarHBondContact O-N 3.33Å; H240-I242 PolarHBondContact O-N 3.15Å; H240-R243 PolarHBondContact O-N 2.92Å; H240-T244 PolarHBondContact O-N 3.36Å; H240-T244 VanDerWaalsContact O-N 3.16Å; H240-T244 PolarHBondContact O-OG1 2.92Å |
| 241 | Q | 95.6 | Very high | 95.1 | Very high | 129 Ų | 129 | 38.5 Ų | 38.5 | 60% | 0.603 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -59.4 | -46.2 | 176.9 | -72.6 | 174.5 | 16.9 | 0 | 0 | 111.8 | N237 Q238 R243 T244 D245 | N237-Q241 WeakPolarHBondContact O-CG 3.27Å; N237-Q241 PolarHBondContact O-N 3.04Å; Q238-Q241 PolarHBondContact O-N 3.05Å; Q241-R243 VanDerWaalsContact C-N 3.31Å; Q241-R243 PolarHBondContact O-N 3.13Å; Q241-T244 PolarHBondContact O-N 3.22Å; Q241-T244 VanDerWaalsContact O-N 3.15Å; Q241-T244 PolarHBondContact O-OG1 2.86Å; Q241-D245 PolarHBondContact O-N 3.39Å; Q241-D245 VanDerWaalsContact O-N 3.12Å |
| 242 | I | 94.9 | Very high | 94.8 | Very high | 7 Ų | 7 | 35.4 Ų | 35.4 | 4% | 0.036 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56 | -46.9 | 176.7 | -70.6 | 167 | 0 | 0 | 0 | 110.7 | Q238 L239 H240 T244 D245 F248 K546 V549 L550 | Q238-I242 VanDerWaalsContact O-CG1 3.27Å; Q238-I242 WeakPolarHBondContact O-CG1 3.31Å; Q238-I242 PolarHBondContact O-N 3.27Å; L239-I242 PolarHBondContact O-N 3.39Å; H240-I242 PolarHBondContact O-N 3.15Å; I242-T244 PolarHBondContact O-N 2.79Å; I242-D245 PolarHBondContact O-N 3.29Å; I242-F248 HydrophobicContact CG2-CD1 3.5Å; I242-F248 VanDerWaalsContact CG2-CD1 3.5Å; I242-F248 HydrophobicContact CG2-CE1 3.38Å; I242-F248 HydrophobicContact CG2-CG 4.43Å; I242-F248 HydrophobicContact CG2-CZ 4.25Å; I242-K546 HydrophobicContact CD1-CB 3.94Å; I242-K546 HydrophobicContact CD1-CG 4.18Å; I242-K546 HydrophobicContact CG1-CB 3.97Å; I242-K546 HydrophobicContact CG1-CD 4.29Å; I242-K546 HydrophobicContact CG1-CG 3.85Å; I242-V549 HydrophobicContact CD1-CB 3.79Å; I242-V549 HydrophobicContact CD1-CG1 3.63Å; I242-L550 HydrophobicContact CG2-CD1 4.31Å; I242-L550 HydrophobicContact CG2-CD2 4.05Å; I242-L550 HydrophobicContact CG2-CG 4.26Å |
| 243 | R | 94.4 | Very high | 94.6 | Very high | 8 Ų | 8 | 35.5 Ų | 35.5 | 3% | 0.03 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.1 | -26.4 | -178.3 | -161 | -178.8 | 68 | 179 | -3.4 | 113.3 | Y15 E18 T19 K121 V124 L239 H240 Q241 | Y15-R243 PolarHBondContact O-NH1 3Å; E18-R243 IonicContact OE2-CZ 3.1Å; E18-R243 IonicContact OE2-NH2 3.1Å; E18-R243 PolarHBondContact OE2-NH2 3.19Å; T19-R243 PolarHBondContact OG1-NH1 3.38Å; T19-R243 VanDerWaalsContact OG1-NH1 3.14Å; K121-R243 HydrophobicContact CB-CG 4.02Å; K121-R243 HydrophobicContact CG-CG 4.19Å; V124-R243 HydrophobicContact CG2-CB 4.26Å; V124-R243 HydrophobicContact CG2-CG 3.91Å; L239-R243 PolarHBondContact O-N 3.38Å; L239-R243 VanDerWaalsContact O-N 3.08Å; H240-R243 PolarHBondContact O-N 2.92Å; Q241-R243 VanDerWaalsContact C-N 3.31Å; Q241-R243 PolarHBondContact O-N 3.13Å |
| 244 | T | 93.6 | Very high | 94.1 | Very high | 75 Ų | 75 | 35.3 Ų | 35.3 | 46% | 0.46 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -90.1 | -9.3 | 177.5 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | H240 Q241 I242 P246 | H240-T244 PolarHBondContact O-N 3.36Å; H240-T244 VanDerWaalsContact O-N 3.16Å; H240-T244 PolarHBondContact O-OG1 2.92Å; Q241-T244 PolarHBondContact O-N 3.22Å; Q241-T244 VanDerWaalsContact O-N 3.15Å; Q241-T244 PolarHBondContact O-OG1 2.86Å; I242-T244 PolarHBondContact O-N 2.79Å; T244-P246 VanDerWaalsContact O-CD 3.32Å; T244-P246 WeakPolarHBondContact O-CD 3.11Å |
| 245 | D | 95.2 | Very high | 93.1 | Very high | 37 Ų | 37 | 33.3 Ų | 33.3 | 20% | 0.198 | 17% | 0.171 | C | C | . | . | trans | -80.1 | 112.8 | -175.1 | -174.6 | -31.9 | 0 | 0 | 0 | 111.6 | Q241 I242 N247 F248 R249 K546 | Q241-D245 PolarHBondContact O-N 3.39Å; Q241-D245 VanDerWaalsContact O-N 3.12Å; I242-D245 PolarHBondContact O-N 3.29Å; D245-N247 PolarHBondContact O-N 2.88Å; D245-N247 WeakPolarHBondContact OD1-CA 3.43Å; D245-N247 WeakPolarHBondContact OD1-CB 3.49Å; D245-N247 PolarHBondContact OD1-N 3.29Å; D245-F248 HydrophobicContact CB-CB 3.97Å; D245-F248 PolarHBondContact OD1-N 3.38Å; D245-R249 WeakPolarHBondContact O-CG 3.44Å; D245-R249 PolarHBondContact O-N 3.35Å; D245-R249 VanDerWaalsContact O-N 3.08Å; D245-K546 WeakPolarHBondContact OD2-CE 3.32Å; D245-K546 IonicContact OD2-NZ 2.68Å; D245-K546 PolarHBondContact OD2-NZ 3.02Å | ||
| 246 | P | 93.4 | Very high | 91.9 | Very high | 71 Ų | 71 | 38.2 Ų | 38.2 | 46% | 0.461 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -69.9 | -29.9 | -178.7 | 29.7 | -34.7 | 0 | 0 | 0 | 113.5 | T244 T250 | T244-P246 VanDerWaalsContact O-CD 3.32Å; T244-P246 WeakPolarHBondContact O-CD 3.11Å; P246-T250 WeakPolarHBondContact O-CB 3.28Å; P246-T250 PolarHBondContact O-N 2.63Å; P246-T250 PolarHBondContact O-OG1 3.19Å |
| 247 | N | 94.7 | Very high | 90.7 | Very high | 41 Ų | 41 | 44.7 Ų | 44.7 | 22% | 0.219 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.7 | -44.7 | -179.9 | -67.7 | -19.4 | 0 | 0 | 0 | 109.6 | D245 T250 V251 S535 D538 | D245-N247 PolarHBondContact O-N 2.88Å; D245-N247 WeakPolarHBondContact OD1-CA 3.43Å; D245-N247 WeakPolarHBondContact OD1-CB 3.49Å; D245-N247 PolarHBondContact OD1-N 3.29Å; N247-T250 PolarHBondContact O-N 3.16Å; N247-V251 WeakPolarHBondContact O-CG2 3.13Å; N247-V251 PolarHBondContact O-N 3.16Å; N247-S535 WeakPolarHBondContact OD1-CA 3.29Å; N247-S535 WeakPolarHBondContact OD1-CB 3.31Å; N247-S535 PolarHBondContact OD1-OG 2.88Å; N247-D538 WeakPolarHBondContact ND2-CB 3.45Å |
| 248 | F | 93.9 | Very high | 89.8 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63 | -43.6 | 174.6 | -178 | -105.8 | 0 | 0 | 0 | 112.2 | V124 I242 D245 T250 V251 F252 K546 L550 | V124-F248 HydrophobicContact CB-CE1 4.12Å; V124-F248 HydrophobicContact CG1-CD1 4.12Å; V124-F248 HydrophobicContact CG1-CE1 3.8Å; I242-F248 HydrophobicContact CG2-CD1 3.5Å; I242-F248 VanDerWaalsContact CG2-CD1 3.5Å; I242-F248 HydrophobicContact CG2-CE1 3.38Å; I242-F248 HydrophobicContact CG2-CG 4.43Å; I242-F248 HydrophobicContact CG2-CZ 4.25Å; D245-F248 HydrophobicContact CB-CB 3.97Å; D245-F248 PolarHBondContact OD1-N 3.38Å; F248-T250 VanDerWaalsContact C-N 3.26Å; F248-T250 PolarHBondContact O-N 3.28Å; F248-V251 PolarHBondContact O-N 3.14Å; F248-F252 HydrophobicContact CE1-CD2 4.16Å; F248-F252 AromaticContact CZ-CD2 3.99Å; F248-F252 HydrophobicContact CZ-CD2 3.99Å; F248-F252 WeakPolarHBondContact O-CB 3.45Å; F248-F252 PolarHBondContact O-N 2.65Å; F248-K546 HydrophobicContact CB-CD 3.91Å; F248-K546 HydrophobicContact CD1-CD 4.48Å; F248-K546 HydrophobicContact CD2-CB 3.8Å; F248-K546 HydrophobicContact CD2-CD 3.51Å; F248-K546 HydrophobicContact CD2-CG 4.31Å; F248-K546 HydrophobicContact CE1-CB 4.45Å; F248-K546 HydrophobicContact CE2-CB 3.51Å; F248-K546 HydrophobicContact CE2-CD 4.15Å; F248-K546 HydrophobicContact CE2-CG 4.49Å; F248-K546 HydrophobicContact CG-CB 4.37Å; F248-K546 HydrophobicContact CG-CD 3.69Å; F248-K546 HydrophobicContact CZ-CB 3.87Å; F248-L550 HydrophobicContact CE1-CD1 3.9Å; F248-L550 HydrophobicContact CZ-CD1 3.94Å |
| 249 | R | 93.8 | Very high | 89.2 | Confident | 33 Ų | 33 | 40.6 Ų | 40.6 | 13% | 0.125 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.5 | -39.5 | 175.1 | -75.2 | -173.8 | -62.4 | 147.7 | -18 | 112.3 | D117 E120 V124 D245 F252 L253 | D117-R249 IonicContact OD1-CZ 2.67Å; D117-R249 IonicContact OD1-NH1 2.93Å; D117-R249 PolarHBondContact OD1-NH1 2.79Å; D117-R249 IonicContact OD1-NH2 3.75Å; E120-R249 IonicContact OE2-CZ 3.68Å; E120-R249 IonicContact OE2-NE 2.87Å; E120-R249 IonicContact OE2-NH1 3.74Å; E120-R249 PolarHBondContact OE2-NH1 3.1Å; V124-R249 HydrophobicContact CG1-CG 4.28Å; V124-R249 HydrophobicContact CG2-CG 4.04Å; D245-R249 WeakPolarHBondContact O-CG 3.44Å; D245-R249 PolarHBondContact O-N 3.35Å; D245-R249 VanDerWaalsContact O-N 3.08Å; R249-F252 WeakPolarHBondContact O-CB 3.47Å; R249-F252 PolarHBondContact O-N 2.69Å; R249-L253 WeakPolarHBondContact O-CG 3.19Å; R249-L253 PolarHBondContact O-N 2.91Å |
| 250 | T | 93.1 | Very high | 88.7 | Confident | 10 Ų | 10 | 45.8 Ų | 45.8 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.2 | -45 | 176.8 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | P246 N247 F248 F252 L253 F254 I532 | P246-T250 WeakPolarHBondContact O-CB 3.28Å; P246-T250 PolarHBondContact O-N 2.63Å; P246-T250 PolarHBondContact O-OG1 3.19Å; N247-T250 PolarHBondContact O-N 3.16Å; F248-T250 VanDerWaalsContact C-N 3.26Å; F248-T250 PolarHBondContact O-N 3.28Å; T250-F252 PolarHBondContact O-N 3.33Å; T250-L253 WeakPolarHBondContact O-CB 3.41Å; T250-L253 PolarHBondContact O-N 3.47Å; T250-L253 VanDerWaalsContact O-N 3.11Å; T250-F254 WeakPolarHBondContact O-CD2 3.14Å; T250-I532 HydrophobicContact CG2-CG2 4.36Å |
| 251 | V | 91.9 | Very high | 88.3 | Confident | 15 Ų | 15 | 48 Ų | 48 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.2 | -42.9 | 172.5 | 172.7 | 0 | 0 | 0 | 0 | 111 | N247 F248 L253 F254 L536 L540 | N247-V251 WeakPolarHBondContact O-CG2 3.13Å; N247-V251 PolarHBondContact O-N 3.16Å; F248-V251 PolarHBondContact O-N 3.14Å; V251-L253 PolarHBondContact O-N 3.42Å; V251-L253 VanDerWaalsContact O-N 3.17Å; V251-F254 PolarHBondContact O-N 3.23Å; V251-L536 HydrophobicContact CB-CD2 4.32Å; V251-L536 HydrophobicContact CG2-CD2 3.84Å; V251-L540 HydrophobicContact CG1-CD2 3.84Å; V251-L540 HydrophobicContact CG2-CD2 4.29Å; V251-L540 HydrophobicContact CG2-CG 4.13Å |
| 252 | F | 89.1 | Confident | 88 | Confident | 35 Ų | 35 | 41.8 Ų | 41.8 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.8 | -20.3 | -179.5 | -156 | -91.2 | 0 | 0 | 0 | 113.6 | A123 V124 R155 C158 F248 R249 T250 F254 L550 | A123-F252 HydrophobicContact CB-CD1 4.18Å; A123-F252 HydrophobicContact CB-CE1 3.98Å; V124-F252 HydrophobicContact CG1-CB 3.96Å; V124-F252 HydrophobicContact CG1-CD1 3.86Å; V124-F252 HydrophobicContact CG1-CD2 3.95Å; V124-F252 HydrophobicContact CG1-CE1 4.36Å; V124-F252 HydrophobicContact CG1-CE2 4.43Å; V124-F252 HydrophobicContact CG1-CG 3.64Å; R155-F252 HydrophobicContact CG-CE1 4.06Å; R155-F252 HydrophobicContact CG-CZ 4.12Å; C158-F252 PolarHBondContact SG-O 3.28Å; C158-F252 VanDerWaalsContact SG-O 3.37Å; F248-F252 HydrophobicContact CE1-CD2 4.16Å; F248-F252 AromaticContact CZ-CD2 3.99Å; F248-F252 HydrophobicContact CZ-CD2 3.99Å; F248-F252 WeakPolarHBondContact O-CB 3.45Å; F248-F252 PolarHBondContact O-N 2.65Å; R249-F252 WeakPolarHBondContact O-CB 3.47Å; R249-F252 PolarHBondContact O-N 2.69Å; T250-F252 PolarHBondContact O-N 3.33Å; F252-F254 VanDerWaalsContact C-N 3.32Å; F252-L550 HydrophobicContact CE2-CD1 4.42Å |
| 253 | L | 90.8 | Very high | 87.9 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -72.1 | -27.1 | 173.8 | -50.7 | -174.3 | 0 | 0 | 0 | 112.5 | E120 C158 P159 L161 L162 K165 R249 T250 V251 Q255 | E120-L253 HydrophobicContact CG-CD2 4.44Å; C158-L253 HydrophobicContact CB-CD2 4.05Å; C158-L253 WeakPolarHBondContact O-CD2 3.44Å; P159-L253 VanDerWaalsContact CA-O 3.27Å; P159-L253 WeakPolarHBondContact CA-O 3.5Å; P159-L253 WeakPolarHBondContact CB-O 3.35Å; P159-L253 WeakPolarHBondContact CG-O 3.16Å; L161-L253 HydrophobicContact CB-CD1 4.48Å; L161-L253 HydrophobicContact CB-CD2 4.4Å; L162-L253 HydrophobicContact CD2-CB 3.94Å; L162-L253 HydrophobicContact CD2-CD1 3.92Å; L162-L253 HydrophobicContact CG-CB 4.12Å; L162-L253 HydrophobicContact CG-CD1 4.41Å; K165-L253 HydrophobicContact CD-CD1 4.36Å; K165-L253 HydrophobicContact CG-CD1 4.28Å; R249-L253 WeakPolarHBondContact O-CG 3.19Å; R249-L253 PolarHBondContact O-N 2.91Å; T250-L253 WeakPolarHBondContact O-CB 3.41Å; T250-L253 PolarHBondContact O-N 3.47Å; T250-L253 VanDerWaalsContact O-N 3.11Å; V251-L253 PolarHBondContact O-N 3.42Å; V251-L253 VanDerWaalsContact O-N 3.17Å; L253-Q255 VanDerWaalsContact C-N 3.3Å; L253-Q255 PolarHBondContact O-N 3.02Å |
| 254 | F | 85.3 | Confident | 87.7 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 39.7 | -179.6 | -71.5 | -98.9 | 0 | 0 | 0 | 111.7 | L162 T250 V251 F252 S258 H259 F262 L380 V383 I532 L536 | L162-F254 HydrophobicContact CD1-CE1 4.24Å; L162-F254 HydrophobicContact CD1-CE2 4.31Å; L162-F254 HydrophobicContact CD1-CZ 4.12Å; L162-F254 HydrophobicContact CD2-CD2 4.08Å; L162-F254 HydrophobicContact CD2-CE2 3.4Å; L162-F254 HydrophobicContact CD2-CZ 3.7Å; L162-F254 HydrophobicContact CG-CE2 4.49Å; T250-F254 WeakPolarHBondContact O-CD2 3.14Å; V251-F254 PolarHBondContact O-N 3.23Å; F252-F254 VanDerWaalsContact C-N 3.32Å; F254-S258 PolarHBondContact O-OG 3.18Å; F254-H259 HydrophobicContact CB-CB 3.7Å; F254-H259 HydrophobicContact CD1-CB 4.14Å; F254-H259 HydrophobicContact CG-CB 4.06Å; F254-F262 HydrophobicContact CE1-CB 4.03Å; F254-F262 HydrophobicContact CE1-CD1 4.22Å; F254-F262 HydrophobicContact CE1-CG 4.11Å; F254-F262 HydrophobicContact CZ-CD1 4.18Å; F254-F262 HydrophobicContact CZ-CG 4.4Å; F254-L380 HydrophobicContact CE1-CD2 3.62Å; F254-L380 HydrophobicContact CZ-CD2 3.49Å; F254-L380 VanDerWaalsContact CZ-CD2 3.49Å; F254-V383 HydrophobicContact CD1-CG2 3.92Å; F254-V383 HydrophobicContact CE1-CG2 4.32Å; F254-I532 HydrophobicContact CE2-CG2 3.55Å; F254-I532 HydrophobicContact CZ-CG2 3.56Å; F254-L536 HydrophobicContact CD2-CD1 4.25Å; F254-L536 HydrophobicContact CD2-CD2 3.8Å; F254-L536 HydrophobicContact CD2-CG 4.48Å; F254-L536 HydrophobicContact CE1-CD1 4.48Å; F254-L536 HydrophobicContact CE2-CD1 4Å; F254-L536 HydrophobicContact CE2-CD2 4.2Å; F254-L536 HydrophobicContact CE2-CG 4.4Å; F254-L536 HydrophobicContact CG-CD2 4.34Å; F254-L536 HydrophobicContact CZ-CD1 4.13Å |
| 255 | Q | 74.2 | Confident | 87.6 | Confident | 34 Ų | 34 | 45.5 Ų | 45.5 | 16% | 0.159 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -21.2 | 139 | -179.2 | -69.1 | 179.2 | 3.4 | 0 | 0 | 115.2 | R155 C158 P159 L253 S258 | R155-Q255 PolarHBondContact O-NE2 3.33Å; C158-Q255 PolarHBondContact SG-NE2 3.05Å; C158-Q255 VanDerWaalsContact SG-NE2 3.41Å; P159-Q255 VanDerWaalsContact CG-CD 3.49Å; P159-Q255 HydrophobicContact CG-CG 3.83Å; L253-Q255 VanDerWaalsContact C-N 3.3Å; L253-Q255 PolarHBondContact O-N 3.02Å; Q255-S258 WeakPolarHBondContact O-CB 3.32Å; Q255-S258 PolarHBondContact O-N 3.39Å; Q255-S258 PolarHBondContact O-OG 2.67Å |
| 256 | D | 71.5 | Confident | 87.4 | Confident | 122 Ų | 122 | 44 Ų | 44 | 65% | 0.652 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | -140.9 | -177.7 | -50 | -53.6 | 0 | 0 | 0 | 111.2 | S258 H259 R390 | D256-S258 VanDerWaalsContact C-N 3.31Å; D256-S258 PolarHBondContact O-N 3.15Å; D256-H259 PolarHBondContact O-ND1 3.09Å; D256-R390 IonicContact OD2-NH1 3.46Å |
| 257 | D | 71.1 | Confident | 87.4 | Confident | 137 Ų | 137 | 44.7 Ų | 44.7 | 73% | 0.733 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 12.1 | -177.6 | -66.9 | -40.8 | 0 | 0 | 0 | 113.7 | H259 H260 | D257-H259 PolarHBondContact O-N 3.18Å; D257-H259 VanDerWaalsContact O-N 3.08Å; D257-H260 PolarHBondContact O-N 3.41Å |
| 258 | S | 78.3 | Confident | 87.3 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 15% | 0.147 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -4.9 | -172.2 | 70.8 | 0 | 0 | 0 | 0 | 114.8 | F254 Q255 D256 | F254-S258 PolarHBondContact O-OG 3.18Å; Q255-S258 WeakPolarHBondContact O-CB 3.32Å; Q255-S258 PolarHBondContact O-N 3.39Å; Q255-S258 PolarHBondContact O-OG 2.67Å; D256-S258 VanDerWaalsContact C-N 3.31Å; D256-S258 PolarHBondContact O-N 3.15Å |
| 259 | H | 84.9 | Confident | 87 | Confident | 34 Ų | 34 | 48.5 Ų | 48.5 | 16% | 0.157 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -77.9 | -22.1 | 173.4 | 61 | -84.4 | 0 | 0 | 0 | 113.8 | F254 D256 D257 T263 L536 | F254-H259 HydrophobicContact CB-CB 3.7Å; F254-H259 HydrophobicContact CD1-CB 4.14Å; F254-H259 HydrophobicContact CG-CB 4.06Å; D256-H259 PolarHBondContact O-ND1 3.09Å; D257-H259 PolarHBondContact O-N 3.18Å; D257-H259 VanDerWaalsContact O-N 3.08Å; H259-T263 WeakPolarHBondContact O-CB 3.13Å; H259-T263 PolarHBondContact O-N 3.4Å; H259-T263 PolarHBondContact O-OG1 3.4Å; H259-L536 HydrophobicContact CB-CD1 4.31Å; H259-L536 HydrophobicContact CB-CD2 4.27Å |
| 260 | H | 86.6 | Confident | 86.7 | Confident | 108 Ų | 108 | 49.1 Ų | 49.1 | 50% | 0.5 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.2 | -49.7 | -172 | -178.1 | -81 | 0 | 0 | 0 | 111.9 | D257 F262 T263 E264 | D257-H260 PolarHBondContact O-N 3.41Å; H260-F262 PolarHBondContact O-N 3.24Å; H260-T263 PolarHBondContact O-N 3.48Å; H260-E264 IonicContact CE1-OE2 2.68Å; H260-E264 PolarHBondContact CE1-OE2 2.94Å; H260-E264 IonicContact ND1-OE2 3.67Å; H260-E264 WeakPolarHBondContact O-CB 3.45Å; H260-E264 PolarHBondContact O-N 2.99Å |
| 261 | D | 87.8 | Confident | 86.4 | Confident | 82 Ų | 82 | 52.2 Ų | 52.2 | 44% | 0.439 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | -175.9 | -64.1 | -23.9 | 0 | 0 | 0 | 111.7 | E265 | D261-E265 VanDerWaalsContact O-CB 3.3Å; D261-E265 WeakPolarHBondContact O-CB 3.43Å; D261-E265 WeakPolarHBondContact O-CG 3.46Å; D261-E265 PolarHBondContact O-N 2.99Å |
| 262 | F | 90.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 175.7 | 174.4 | -99 | 0 | 0 | 0 | 111.8 | F254 H260 F266 C379 L380 W529 I532 H533 L536 | F254-F262 HydrophobicContact CE1-CB 4.03Å; F254-F262 HydrophobicContact CE1-CD1 4.22Å; F254-F262 HydrophobicContact CE1-CG 4.11Å; F254-F262 HydrophobicContact CZ-CD1 4.18Å; F254-F262 HydrophobicContact CZ-CG 4.4Å; H260-F262 PolarHBondContact O-N 3.24Å; F262-F266 HydrophobicContact CZ-CD2 4.39Å; F262-F266 WeakPolarHBondContact O-CB 3.43Å; F262-F266 PolarHBondContact O-N 2.88Å; F262-C379 HydrophobicContact CB-CB 4Å; F262-C379 HydrophobicContact CD2-CB 4.34Å; F262-L380 HydrophobicContact CD2-CD1 4.49Å; F262-L380 HydrophobicContact CD2-CD2 3.63Å; F262-L380 HydrophobicContact CD2-CG 3.86Å; F262-L380 HydrophobicContact CE2-CD1 4.1Å; F262-L380 HydrophobicContact CE2-CD2 3.85Å; F262-L380 HydrophobicContact CE2-CG 3.98Å; F262-L380 HydrophobicContact CG-CD2 4.1Å; F262-L380 HydrophobicContact CZ-CD2 4.49Å; F262-W529 HydrophobicContact CE2-CB 4.41Å; F262-W529 HydrophobicContact CE2-CG 4.36Å; F262-W529 HydrophobicContact CZ-CB 4.04Å; F262-W529 HydrophobicContact CZ-CG 4.41Å; F262-I532 HydrophobicContact CD1-CG2 4.28Å; F262-I532 HydrophobicContact CE1-CB 4.14Å; F262-I532 HydrophobicContact CE1-CG2 3.59Å; F262-I532 HydrophobicContact CZ-CB 4.26Å; F262-I532 HydrophobicContact CZ-CG2 4.05Å; F262-H533 HydrophobicContact CE1-CB 4.27Å; F262-L536 HydrophobicContact CD1-CD1 3.86Å; F262-L536 HydrophobicContact CE1-CD1 4.23Å |
| 263 | T | 91.9 | Very high | 85.2 | Confident | 36 Ų | 36 | 55.3 Ų | 55.3 | 22% | 0.221 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.5 | -45.9 | -177.9 | -67.5 | 0 | 0 | 0 | 0 | 111.7 | H259 H260 F266 V267 | H259-T263 WeakPolarHBondContact O-CB 3.13Å; H259-T263 PolarHBondContact O-N 3.4Å; H259-T263 PolarHBondContact O-OG1 3.4Å; H260-T263 PolarHBondContact O-N 3.48Å; T263-F266 PolarHBondContact O-N 2.87Å; T263-V267 WeakPolarHBondContact O-CG2 3.46Å; T263-V267 PolarHBondContact O-N 2.88Å; T263-V267 VanDerWaalsContact O-N 3.14Å |
| 264 | E | 91.6 | Very high | 84.6 | Confident | 102 Ų | 102 | 56.4 Ų | 56.4 | 48% | 0.477 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.5 | -49.9 | 178.8 | -175.4 | -178.4 | 170.1 | 0 | 0 | 111.3 | H260 F266 K268 | H260-E264 IonicContact CE1-OE2 2.68Å; H260-E264 PolarHBondContact CE1-OE2 2.94Å; H260-E264 IonicContact ND1-OE2 3.67Å; H260-E264 WeakPolarHBondContact O-CB 3.45Å; H260-E264 PolarHBondContact O-N 2.99Å; E264-F266 VanDerWaalsContact C-N 3.32Å; E264-F266 PolarHBondContact O-N 2.93Å; E264-K268 VanDerWaalsContact O-CB 3.3Å; E264-K268 WeakPolarHBondContact O-CB 3.14Å; E264-K268 PolarHBondContact O-N 3.43Å; E264-K268 VanDerWaalsContact O-N 3.16Å |
| 265 | E | 90.3 | Very high | 84 | Confident | 29 Ų | 29 | 59.1 Ų | 59.1 | 14% | 0.136 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.2 | -31.9 | -177.7 | -69.7 | -70.4 | 123.6 | 0 | 0 | 111.7 | D261 K268 R269 L376 | D261-E265 VanDerWaalsContact O-CB 3.3Å; D261-E265 WeakPolarHBondContact O-CB 3.43Å; D261-E265 WeakPolarHBondContact O-CG 3.46Å; D261-E265 PolarHBondContact O-N 2.99Å; E265-K268 IonicContact OE1-NZ 3.93Å; E265-K268 PolarHBondContact OE1-NZ 3.46Å; E265-K268 IonicContact OE2-NZ 3.95Å; E265-R269 VanDerWaalsContact O-CB 3.27Å; E265-R269 WeakPolarHBondContact O-CB 3.42Å; E265-R269 WeakPolarHBondContact O-CD 3.46Å; E265-R269 WeakPolarHBondContact O-CG 3.45Å; E265-R269 PolarHBondContact O-N 3.4Å; E265-R269 VanDerWaalsContact O-N 3.15Å; E265-R269 IonicContact OE2-CZ 3.29Å; E265-R269 IonicContact OE2-NE 3.67Å; E265-R269 PolarHBondContact OE2-NE 2.93Å; E265-R269 IonicContact OE2-NH2 3.66Å; E265-R269 PolarHBondContact OE2-NH2 3.31Å; E265-L376 HydrophobicContact CB-CD2 4.06Å |
| 266 | F | 90.8 | Very high | 83.9 | Confident | 6 Ų | 6 | 58.5 Ų | 58.5 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.8 | -54.5 | 174.7 | -176.8 | -97.8 | 0 | 0 | 0 | 111.6 | F262 T263 E264 K268 R269 E270 L376 W529 R530 H533 | F262-F266 HydrophobicContact CZ-CD2 4.39Å; F262-F266 WeakPolarHBondContact O-CB 3.43Å; F262-F266 PolarHBondContact O-N 2.88Å; T263-F266 PolarHBondContact O-N 2.87Å; E264-F266 VanDerWaalsContact C-N 3.32Å; E264-F266 PolarHBondContact O-N 2.93Å; F266-K268 PolarHBondContact O-N 3.4Å; F266-R269 PolarHBondContact O-N 3.04Å; F266-R269 VanDerWaalsContact O-N 3.11Å; F266-E270 HydrophobicContact CD1-CB 4.48Å; F266-E270 HydrophobicContact CE1-CB 4.12Å; F266-E270 HydrophobicContact CE1-CG 4.01Å; F266-E270 HydrophobicContact CE2-CB 4.35Å; F266-E270 HydrophobicContact CE2-CG 4.31Å; F266-E270 HydrophobicContact CZ-CB 4.04Å; F266-E270 HydrophobicContact CZ-CG 3.69Å; F266-E270 VanDerWaalsContact O-CB 3.27Å; F266-E270 WeakPolarHBondContact O-CB 3.41Å; F266-E270 PolarHBondContact O-N 3.41Å; F266-L376 HydrophobicContact CB-CD2 3.97Å; F266-L376 HydrophobicContact CD2-CD1 4.07Å; F266-L376 HydrophobicContact CD2-CD2 4.42Å; F266-W529 HydrophobicContact CD2-CB 3.85Å; F266-W529 HydrophobicContact CE2-CB 3.53Å; F266-R530 HydrophobicContact CE1-CB 4.43Å; F266-R530 HydrophobicContact CE1-CG 4.35Å; F266-R530 VanDerWaalsContact CZ-CA 3.43Å; F266-R530 HydrophobicContact CZ-CB 3.76Å; F266-R530 HydrophobicContact CZ-CG 4.1Å; F266-H533 HydrophobicContact CD1-CB 3.59Å; F266-H533 AromaticContact CD1-CD2 3.63Å; F266-H533 AromaticContact CD1-CG 3.47Å; F266-H533 VanDerWaalsContact CD1-CG 3.47Å; F266-H533 HydrophobicContact CE1-CB 3.78Å; F266-H533 AromaticContact CE1-CG 3.81Å; F266-H533 HydrophobicContact CG-CB 4.22Å |
| 267 | V | 93.2 | Very high | 83.8 | Confident | 86 Ų | 86 | 53 Ų | 53 | 52% | 0.521 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.1 | -38.8 | -179.5 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | T263 R269 P271 H533 | T263-V267 WeakPolarHBondContact O-CG2 3.46Å; T263-V267 PolarHBondContact O-N 2.88Å; T263-V267 VanDerWaalsContact O-N 3.14Å; V267-R269 PolarHBondContact O-N 3.24Å; V267-P271 WeakPolarHBondContact O-CD 3.34Å; V267-H533 VanDerWaalsContact CG2-NE2 3.26Å; V267-H533 WeakPolarHBondContact CG2-NE2 3.33Å |
| 268 | K | 92.6 | Very high | 83.9 | Confident | 107 Ų | 107 | 50.3 Ų | 50.3 | 47% | 0.465 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.6 | -31.2 | -179.8 | 178.4 | 177.2 | 168.4 | -169.7 | 0 | 113.5 | E264 E265 F266 | E264-K268 VanDerWaalsContact O-CB 3.3Å; E264-K268 WeakPolarHBondContact O-CB 3.14Å; E264-K268 PolarHBondContact O-N 3.43Å; E264-K268 VanDerWaalsContact O-N 3.16Å; E265-K268 IonicContact OE1-NZ 3.93Å; E265-K268 PolarHBondContact OE1-NZ 3.46Å; E265-K268 IonicContact OE2-NZ 3.95Å; F266-K268 PolarHBondContact O-N 3.4Å |
| 269 | R | 87.6 | Confident | 83.2 | Confident | 17 Ų | 17 | 53 Ų | 53 | 6% | 0.064 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -107.9 | -27.1 | -169 | -64.1 | 176.6 | -178.2 | -93.1 | 3.9 | 113.7 | E265 F266 V267 P271 R272 M273 D372 | E265-R269 VanDerWaalsContact O-CB 3.27Å; E265-R269 WeakPolarHBondContact O-CB 3.42Å; E265-R269 WeakPolarHBondContact O-CD 3.46Å; E265-R269 WeakPolarHBondContact O-CG 3.45Å; E265-R269 PolarHBondContact O-N 3.4Å; E265-R269 VanDerWaalsContact O-N 3.15Å; E265-R269 IonicContact OE2-CZ 3.29Å; E265-R269 IonicContact OE2-NE 3.67Å; E265-R269 PolarHBondContact OE2-NE 2.93Å; E265-R269 IonicContact OE2-NH2 3.66Å; E265-R269 PolarHBondContact OE2-NH2 3.31Å; F266-R269 PolarHBondContact O-N 3.04Å; F266-R269 VanDerWaalsContact O-N 3.11Å; V267-R269 PolarHBondContact O-N 3.24Å; R269-P271 VanDerWaalsContact C-N 3.35Å; R269-R272 PolarHBondContact O-N 3Å; R269-M273 HydrophobicContact CB-SD 4.09Å; R269-M273 PolarHBondContact O-N 2.99Å; R269-D372 HydrophobicContact CB-CB 4.1Å; R269-D372 WeakPolarHBondContact CD-OD1 3.46Å; R269-D372 HydrophobicContact CG-CB 4.25Å; R269-D372 WeakPolarHBondContact CG-OD1 3.44Å; R269-D372 IonicContact CZ-OD1 3.58Å; R269-D372 IonicContact NE-OD1 3.24Å; R269-D372 IonicContact NH1-OD1 2.69Å; R269-D372 PolarHBondContact NH1-OD1 3.4Å |
| 270 | E | 89 | Confident | 82.2 | Confident | 47 Ų | 47 | 51.7 Ų | 51.7 | 22% | 0.22 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -49.5 | -46.8 | -179.1 | -173.6 | -75.5 | 155.9 | 0 | 0 | 112.8 | F266 R272 M273 S274 | F266-E270 HydrophobicContact CD1-CB 4.48Å; F266-E270 HydrophobicContact CE1-CB 4.12Å; F266-E270 HydrophobicContact CE1-CG 4.01Å; F266-E270 HydrophobicContact CE2-CB 4.35Å; F266-E270 HydrophobicContact CE2-CG 4.31Å; F266-E270 HydrophobicContact CZ-CB 4.04Å; F266-E270 HydrophobicContact CZ-CG 3.69Å; F266-E270 VanDerWaalsContact O-CB 3.27Å; F266-E270 WeakPolarHBondContact O-CB 3.41Å; F266-E270 PolarHBondContact O-N 3.41Å; E270-R272 VanDerWaalsContact C-N 3.31Å; E270-R272 PolarHBondContact O-N 3.05Å; E270-M273 PolarHBondContact O-N 3.16Å; E270-S274 VanDerWaalsContact O-CB 3.31Å; E270-S274 WeakPolarHBondContact O-CB 3.37Å; E270-S274 PolarHBondContact O-N 2.87Å; E270-S274 PolarHBondContact O-OG 3.41Å; E270-S274 PolarHBondContact OE1-OG 3Å |
| 271 | P | 86.4 | Confident | 81.3 | Confident | 75 Ų | 75 | 49.8 Ų | 49.8 | 49% | 0.487 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.9 | -36.3 | -178.2 | -24.6 | 35.2 | 0 | 0 | 0 | 113.1 | V267 R269 A275 | V267-P271 WeakPolarHBondContact O-CD 3.34Å; R269-P271 VanDerWaalsContact C-N 3.35Å; P271-A275 VanDerWaalsContact O-CB 3.28Å; P271-A275 WeakPolarHBondContact O-CB 3.5Å; P271-A275 PolarHBondContact O-N 2.96Å |
| 272 | R | 78 | Confident | 80.2 | Confident | 113 Ų | 113 | 48.5 Ų | 48.5 | 43% | 0.426 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -70.1 | -44.5 | 178.3 | -68.7 | -164.2 | -63.2 | -122 | 4.3 | 111.2 | R269 E270 A275 F276 D372 | R269-R272 PolarHBondContact O-N 3Å; E270-R272 VanDerWaalsContact C-N 3.31Å; E270-R272 PolarHBondContact O-N 3.05Å; R272-A275 PolarHBondContact O-N 2.74Å; R272-F276 WeakPolarHBondContact O-CB 3.42Å; R272-F276 PolarHBondContact O-N 3.27Å; R272-D372 IonicContact CZ-OD1 3.33Å; R272-D372 IonicContact CZ-OD2 3.09Å; R272-D372 IonicContact NE-OD1 3.74Å; R272-D372 IonicContact NE-OD2 2.59Å; R272-D372 PolarHBondContact NE-OD2 2.86Å; R272-D372 IonicContact NH2-OD1 2.91Å; R272-D372 PolarHBondContact NH2-OD1 3.23Å; R272-D372 IonicContact NH2-OD2 3.76Å |
| 273 | M | 77.3 | Confident | 78.7 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 178.5 | -68 | 167 | 50.9 | 0 | 0 | 111.6 | R269 E270 A275 F276 L277 F369 D372 V373 L376 M526 W529 | R269-M273 HydrophobicContact CB-SD 4.09Å; R269-M273 PolarHBondContact O-N 2.99Å; E270-M273 PolarHBondContact O-N 3.16Å; M273-A275 PolarHBondContact O-N 3.37Å; M273-F276 PolarHBondContact O-N 3.2Å; M273-L277 WeakPolarHBondContact O-CG 3.41Å; M273-L277 PolarHBondContact O-N 3.49Å; M273-F369 HydrophobicContact CB-CD2 4.18Å; M273-F369 HydrophobicContact CB-CE2 4.05Å; M273-F369 HydrophobicContact CG-CD2 3.97Å; M273-F369 HydrophobicContact CG-CE2 4.08Å; M273-D372 HydrophobicContact CG-CB 3.76Å; M273-D372 HydrophobicContact SD-CB 3.83Å; M273-V373 HydrophobicContact CE-CG2 4.13Å; M273-L376 HydrophobicContact CE-CD1 3.96Å; M273-L376 HydrophobicContact SD-CD1 3.73Å; M273-M526 HydrophobicContact CB-SD 3.94Å; M273-M526 HydrophobicContact CE-CG 4.2Å; M273-M526 HydrophobicContact CE-SD 4.3Å; M273-W529 HydrophobicContact CE-CE3 3.85Å; M273-W529 HydrophobicContact CE-CZ3 3.49Å; M273-W529 VanDerWaalsContact CE-CZ3 3.49Å |
| 274 | S | 77.6 | Confident | 77.2 | Confident | 26 Ų | 26 | 49 Ų | 49 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 175.5 | -75.5 | 0 | 0 | 0 | 0 | 112.4 | E270 S278 M526 | E270-S274 VanDerWaalsContact O-CB 3.31Å; E270-S274 WeakPolarHBondContact O-CB 3.37Å; E270-S274 PolarHBondContact O-N 2.87Å; E270-S274 PolarHBondContact O-OG 3.41Å; E270-S274 PolarHBondContact OE1-OG 3Å; S274-S278 WeakPolarHBondContact O-CB 3.34Å; S274-S278 PolarHBondContact O-N 3.32Å; S274-S278 PolarHBondContact O-OG 3.02Å; S274-M526 WeakPolarHBondContact OG-CE 3.49Å; S274-M526 PolarHBondContact OG-SD 2.9Å; S274-M526 VanDerWaalsContact OG-SD 3.34Å |
| 275 | A | 73.6 | Confident | 75.9 | Confident | 58 Ų | 58 | 47.7 Ų | 47.7 | 48% | 0.479 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P271 R272 M273 S278 E279 | P271-A275 VanDerWaalsContact O-CB 3.28Å; P271-A275 WeakPolarHBondContact O-CB 3.5Å; P271-A275 PolarHBondContact O-N 2.96Å; R272-A275 PolarHBondContact O-N 2.74Å; M273-A275 PolarHBondContact O-N 3.37Å; A275-S278 PolarHBondContact O-N 3.4Å; A275-E279 WeakPolarHBondContact O-CB 3.39Å; A275-E279 PolarHBondContact O-N 3.17Å |
| 276 | F | 72 | Confident | 74.4 | Confident | 21 Ų | 21 | 49.1 Ų | 49.1 | 9% | 0.092 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 177.9 | 178.7 | -100.6 | 0 | 0 | 0 | 112.3 | R272 M273 S278 E279 L280 F321 V365 F366 F369 | R272-F276 WeakPolarHBondContact O-CB 3.42Å; R272-F276 PolarHBondContact O-N 3.27Å; M273-F276 PolarHBondContact O-N 3.2Å; F276-S278 VanDerWaalsContact C-N 3.33Å; F276-S278 PolarHBondContact O-N 3.14Å; F276-E279 PolarHBondContact O-N 3.08Å; F276-L280 HydrophobicContact CE1-CD2 4.39Å; F276-L280 WeakPolarHBondContact O-CB 3.21Å; F276-L280 PolarHBondContact O-N 3.09Å; F276-F321 HydrophobicContact CZ-CZ 4.4Å; F276-V365 HydrophobicContact CD2-CG1 3.57Å; F276-V365 HydrophobicContact CE2-CG1 3.95Å; F276-F366 HydrophobicContact CE1-CD2 4.32Å; F276-F366 HydrophobicContact CE2-CD2 4.45Å; F276-F366 AromaticContact CZ-CD2 3.72Å; F276-F366 HydrophobicContact CZ-CD2 3.72Å; F276-F369 HydrophobicContact CB-CD2 4.05Å; F276-F369 HydrophobicContact CD1-CB 3.96Å; F276-F369 AromaticContact CD1-CD1 3.92Å; F276-F369 HydrophobicContact CD1-CD1 3.92Å; F276-F369 AromaticContact CD1-CD2 3.39Å; F276-F369 HydrophobicContact CD1-CD2 3.39Å; F276-F369 HydrophobicContact CD1-CE1 4.28Å; F276-F369 AromaticContact CD1-CE2 3.8Å; F276-F369 HydrophobicContact CD1-CE2 3.8Å; F276-F369 AromaticContact CD1-CG 3.46Å; F276-F369 HydrophobicContact CD1-CG 3.46Å; F276-F369 VanDerWaalsContact CD1-CG 3.46Å; F276-F369 HydrophobicContact CD1-CZ 4.22Å; F276-F369 HydrophobicContact CD2-CB 4.42Å; F276-F369 HydrophobicContact CE1-CB 4.25Å; F276-F369 AromaticContact CE1-CD1 3.79Å; F276-F369 HydrophobicContact CE1-CD1 3.79Å; F276-F369 HydrophobicContact CE1-CD2 4.14Å; F276-F369 HydrophobicContact CE1-CE1 4.16Å; F276-F369 HydrophobicContact CE1-CE2 4.47Å; F276-F369 AromaticContact CE1-CG 3.78Å; F276-F369 HydrophobicContact CE1-CG 3.78Å; F276-F369 HydrophobicContact CE1-CZ 4.49Å; F276-F369 HydrophobicContact CG-CB 4.06Å; F276-F369 AromaticContact CG-CD2 3.91Å; F276-F369 HydrophobicContact CG-CD2 3.91Å; F276-F369 HydrophobicContact CG-CG 4.01Å |
| 277 | L | 69.6 | Low | 72.9 | Confident | 6 Ų | 6 | 48.9 Ų | 48.9 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.7 | -36.2 | 179.1 | -66.1 | 176.1 | 0 | 0 | 0 | 112.6 | M273 L280 E281 F369 S519 W522 M526 | M273-L277 WeakPolarHBondContact O-CG 3.41Å; M273-L277 PolarHBondContact O-N 3.49Å; L277-L280 HydrophobicContact CD2-CD2 4.46Å; L277-L280 WeakPolarHBondContact O-CB 3.4Å; L277-L280 PolarHBondContact O-N 3.02Å; L277-E281 PolarHBondContact O-N 3.4Å; L277-F369 HydrophobicContact CD2-CE2 4.25Å; L277-F369 HydrophobicContact CD2-CZ 4.15Å; L277-F369 HydrophobicContact CG-CE2 4.26Å; L277-S519 PolarHBondContact O-OG 3.28Å; L277-W522 HydrophobicContact CD1-CB 4.04Å; L277-W522 HydrophobicContact CD2-CB 3.47Å; L277-W522 VanDerWaalsContact CD2-CB 3.47Å; L277-W522 HydrophobicContact CD2-CG 4.23Å; L277-W522 HydrophobicContact CG-CB 4.4Å; L277-M526 HydrophobicContact CD1-CE 3.81Å; L277-M526 HydrophobicContact CD1-SD 3.96Å |
| 278 | S | 72.6 | Confident | 71.3 | Confident | 81 Ų | 81 | 45.5 Ų | 45.5 | 57% | 0.566 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -65.4 | -41.4 | 174.8 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | S274 A275 F276 E281 A282 | S274-S278 WeakPolarHBondContact O-CB 3.34Å; S274-S278 PolarHBondContact O-N 3.32Å; S274-S278 PolarHBondContact O-OG 3.02Å; A275-S278 PolarHBondContact O-N 3.4Å; F276-S278 VanDerWaalsContact C-N 3.33Å; F276-S278 PolarHBondContact O-N 3.14Å; S278-E281 PolarHBondContact O-N 3.14Å; S278-A282 WeakPolarHBondContact O-CB 3.41Å; S278-A282 PolarHBondContact O-N 3.26Å |
| 279 | E | 64.6 | Low | 69.8 | Low | 76 Ų | 76 | 43.5 Ų | 43.5 | 36% | 0.355 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.9 | -39.6 | 175.3 | -172 | 176.5 | 178.4 | 0 | 0 | 111.5 | A275 F276 E281 A282 N283 M336 | A275-E279 WeakPolarHBondContact O-CB 3.39Å; A275-E279 PolarHBondContact O-N 3.17Å; F276-E279 PolarHBondContact O-N 3.08Å; E279-E281 PolarHBondContact O-N 3.11Å; E279-A282 PolarHBondContact O-N 3.31Å; E279-N283 WeakPolarHBondContact O-CB 3.21Å; E279-N283 PolarHBondContact O-N 2.9Å; E279-N283 PolarHBondContact O-ND2 2.92Å; E279-N283 VanDerWaalsContact O-ND2 3.16Å; E279-M336 WeakPolarHBondContact OE1-CE 3.48Å |
| 280 | L | 63.6 | Low | 68.2 | Low | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 176.6 | -168.9 | 66.8 | 0 | 0 | 0 | 111.8 | F276 L277 N283 A284 F321 I515 | F276-L280 HydrophobicContact CE1-CD2 4.39Å; F276-L280 WeakPolarHBondContact O-CB 3.21Å; F276-L280 PolarHBondContact O-N 3.09Å; L277-L280 HydrophobicContact CD2-CD2 4.46Å; L277-L280 WeakPolarHBondContact O-CB 3.4Å; L277-L280 PolarHBondContact O-N 3.02Å; L280-N283 PolarHBondContact O-N 3.04Å; L280-A284 PolarHBondContact O-N 3.39Å; L280-A284 VanDerWaalsContact O-N 3.14Å; L280-F321 HydrophobicContact CD1-CE2 3.9Å; L280-F321 HydrophobicContact CD1-CZ 3.87Å; L280-F321 HydrophobicContact CD2-CZ 4.5Å; L280-I515 HydrophobicContact CD1-CG2 3.56Å; L280-I515 HydrophobicContact CD2-CG2 4.35Å; L280-I515 HydrophobicContact CG-CG2 3.51Å; L280-I515 VanDerWaalsContact O-CG2 3.28Å; L280-I515 WeakPolarHBondContact O-CG2 3.29Å |
| 281 | E | 67.1 | Low | 66.6 | Low | 67 Ų | 67 | 42.9 Ų | 42.9 | 31% | 0.313 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.7 | -43 | 174.3 | -175.5 | 58.9 | -148.4 | 0 | 0 | 112 | L277 S278 E279 N283 A284 V285 R516 | L277-E281 PolarHBondContact O-N 3.4Å; S278-E281 PolarHBondContact O-N 3.14Å; E279-E281 PolarHBondContact O-N 3.11Å; E281-N283 VanDerWaalsContact C-N 3.27Å; E281-N283 PolarHBondContact O-N 2.97Å; E281-A284 WeakPolarHBondContact O-CB 3.5Å; E281-A284 PolarHBondContact O-N 3.15Å; E281-A284 VanDerWaalsContact O-N 3.1Å; E281-V285 WeakPolarHBondContact O-CG2 3.35Å; E281-V285 PolarHBondContact O-N 3.4Å; E281-R516 IonicContact OE1-NE 3.97Å; E281-R516 PolarHBondContact OE1-NE 2.89Å; E281-R516 VanDerWaalsContact OE1-NE 3.1Å; E281-R516 WeakPolarHBondContact OE2-CG 3.44Å |
| 282 | A | 64.3 | Low | 65.3 | Low | 55 Ų | 55 | 45.6 Ų | 45.6 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.9 | -40.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | S278 E279 V285 Q286 | S278-A282 WeakPolarHBondContact O-CB 3.41Å; S278-A282 PolarHBondContact O-N 3.26Å; E279-A282 PolarHBondContact O-N 3.31Å; A282-V285 PolarHBondContact O-N 3.28Å; A282-Q286 WeakPolarHBondContact O-CB 3.37Å; A282-Q286 PolarHBondContact O-N 3.45Å |
| 283 | N | 59.8 | Low | 64.3 | Low | 46 Ų | 46 | 42 Ų | 42 | 25% | 0.246 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 175 | -70.6 | -28.9 | 0 | 0 | 0 | 112 | E279 L280 E281 Q286 L287 | E279-N283 WeakPolarHBondContact O-CB 3.21Å; E279-N283 PolarHBondContact O-N 2.9Å; E279-N283 PolarHBondContact O-ND2 2.92Å; E279-N283 VanDerWaalsContact O-ND2 3.16Å; L280-N283 PolarHBondContact O-N 3.04Å; E281-N283 VanDerWaalsContact C-N 3.27Å; E281-N283 PolarHBondContact O-N 2.97Å; N283-Q286 PolarHBondContact O-N 3.42Å; N283-L287 WeakPolarHBondContact O-CB 3.43Å; N283-L287 PolarHBondContact O-N 3.27Å |
| 284 | A | 59.3 | Low | 63 | Low | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.9 | -42 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | L280 E281 L287 D288 I515 R516 | L280-A284 PolarHBondContact O-N 3.39Å; L280-A284 VanDerWaalsContact O-N 3.14Å; E281-A284 WeakPolarHBondContact O-CB 3.5Å; E281-A284 PolarHBondContact O-N 3.15Å; E281-A284 VanDerWaalsContact O-N 3.1Å; A284-L287 PolarHBondContact O-N 3.32Å; A284-D288 PolarHBondContact O-N 3.11Å; A284-I515 HydrophobicContact CB-CB 4.3Å; A284-I515 HydrophobicContact CB-CG2 3.86Å; A284-R516 VanDerWaalsContact C-NH2 3.35Å; A284-R516 HydrophobicContact CB-CG 3.68Å; A284-R516 PolarHBondContact O-NH2 2.89Å |
| 285 | V | 65.1 | Low | 61.7 | Low | 76 Ų | 76 | 46.1 Ų | 46.1 | 46% | 0.461 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 175.4 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | E281 A282 L287 D288 S289 | E281-V285 WeakPolarHBondContact O-CG2 3.35Å; E281-V285 PolarHBondContact O-N 3.4Å; A282-V285 PolarHBondContact O-N 3.28Å; V285-L287 VanDerWaalsContact C-N 3.33Å; V285-L287 PolarHBondContact O-N 2.95Å; V285-D288 PolarHBondContact O-N 3.38Å; V285-S289 PolarHBondContact O-N 3.33Å |
| 286 | Q | 59.2 | Low | 60.5 | Low | 59 Ų | 59 | 49.2 Ų | 49.2 | 28% | 0.276 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 176.6 | -174.3 | 175.7 | 8.8 | 0 | 0 | 110.8 | A282 N283 D288 S289 M290 | A282-Q286 WeakPolarHBondContact O-CB 3.37Å; A282-Q286 PolarHBondContact O-N 3.45Å; N283-Q286 PolarHBondContact O-N 3.42Å; Q286-D288 VanDerWaalsContact C-N 3.34Å; Q286-D288 PolarHBondContact O-N 2.96Å; Q286-S289 PolarHBondContact O-N 3.36Å; Q286-S289 VanDerWaalsContact O-N 3.16Å; Q286-S289 PolarHBondContact O-OG 2.88Å; Q286-M290 HydrophobicContact CG-CE 3.63Å; Q286-M290 HydrophobicContact CG-SD 3.94Å; Q286-M290 WeakPolarHBondContact O-CG 3.38Å; Q286-M290 PolarHBondContact O-N 3.36Å |
| 287 | L | 57.7 | Low | 59 | Low | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 179.7 | -175.2 | 56.6 | 0 | 0 | 0 | 112.4 | N283 A284 V285 M290 N291 V310 I313 V314 L503 S509 V511 | N283-L287 WeakPolarHBondContact O-CB 3.43Å; N283-L287 PolarHBondContact O-N 3.27Å; A284-L287 PolarHBondContact O-N 3.32Å; V285-L287 VanDerWaalsContact C-N 3.33Å; V285-L287 PolarHBondContact O-N 2.95Å; L287-M290 PolarHBondContact O-N 2.9Å; L287-N291 WeakPolarHBondContact O-CB 3.48Å; L287-N291 PolarHBondContact O-N 3.03Å; L287-V310 HydrophobicContact CD1-CG1 4.1Å; L287-I313 HydrophobicContact CD1-CG2 4.46Å; L287-V314 HydrophobicContact CD1-CG2 3.44Å; L287-V314 VanDerWaalsContact CD1-CG2 3.44Å; L287-V314 HydrophobicContact CD2-CG2 3.92Å; L287-V314 HydrophobicContact CG-CG2 4.35Å; L287-L503 HydrophobicContact CD1-CD2 4.34Å; L287-S509 WeakPolarHBondContact CD2-OG 3.27Å; L287-S509 VanDerWaalsContact CG-OG 3.28Å; L287-S509 WeakPolarHBondContact CG-OG 3.36Å; L287-V511 HydrophobicContact CD2-CB 3.73Å; L287-V511 HydrophobicContact CD2-CG1 3.6Å |
| 288 | D | 59.6 | Low | 57.8 | Low | 14 Ų | 14 | 55 Ų | 55 | 8% | 0.075 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65 | -40.6 | 173.7 | -79.5 | -8.6 | 0 | 0 | 0 | 113.5 | A284 V285 Q286 M290 N291 K292 E508 S512 R516 | A284-D288 PolarHBondContact O-N 3.11Å; V285-D288 PolarHBondContact O-N 3.38Å; Q286-D288 VanDerWaalsContact C-N 3.34Å; Q286-D288 PolarHBondContact O-N 2.96Å; D288-M290 PolarHBondContact O-N 3.38Å; D288-N291 PolarHBondContact O-N 3.02Å; D288-K292 WeakPolarHBondContact O-CB 3.27Å; D288-K292 WeakPolarHBondContact O-CG 3.4Å; D288-K292 PolarHBondContact O-N 3.04Å; D288-E508 VanDerWaalsContact OD1-CG 3.31Å; D288-E508 WeakPolarHBondContact OD1-CG 3.5Å; D288-S512 VanDerWaalsContact OD1-CB 3.31Å; D288-S512 WeakPolarHBondContact OD1-CB 3.42Å; D288-S512 PolarHBondContact OD1-OG 3.25Å; D288-R516 IonicContact OD1-NH1 3.15Å; D288-R516 IonicContact OD2-CZ 3.22Å; D288-R516 IonicContact OD2-NH1 3.61Å; D288-R516 PolarHBondContact OD2-NH1 2.55Å; D288-R516 IonicContact OD2-NH2 2.67Å; D288-R516 PolarHBondContact OD2-NH2 2.82Å |
| 289 | S | 61.5 | Low | 56.3 | Low | 65 Ų | 65 | 57 Ų | 57 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 179.3 | 78.6 | 0 | 0 | 0 | 0 | 111 | V285 Q286 K292 G293 | V285-S289 PolarHBondContact O-N 3.33Å; Q286-S289 PolarHBondContact O-N 3.36Å; Q286-S289 VanDerWaalsContact O-N 3.16Å; Q286-S289 PolarHBondContact O-OG 2.88Å; S289-K292 PolarHBondContact O-N 2.86Å; S289-G293 PolarHBondContact O-N 3.4Å |
| 290 | M | 54.4 | Low | 55 | Low | 48 Ų | 48 | 58.8 Ų | 58.8 | 24% | 0.236 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -73.5 | -39.2 | 179.3 | -70.6 | 172.2 | 170.5 | 0 | 0 | 111.8 | Q286 L287 D288 G293 A294 I313 | Q286-M290 HydrophobicContact CG-CE 3.63Å; Q286-M290 HydrophobicContact CG-SD 3.94Å; Q286-M290 WeakPolarHBondContact O-CG 3.38Å; Q286-M290 PolarHBondContact O-N 3.36Å; L287-M290 PolarHBondContact O-N 2.9Å; D288-M290 PolarHBondContact O-N 3.38Å; M290-G293 PolarHBondContact O-N 3.12Å; M290-A294 WeakPolarHBondContact O-CB 3.26Å; M290-A294 PolarHBondContact O-N 3.2Å; M290-I313 HydrophobicContact CE-CD1 3.23Å; M290-I313 HydrophobicContact SD-CB 4.39Å; M290-I313 HydrophobicContact SD-CD1 3.08Å; M290-I313 WeakPolarHBondContact SD-CD1 3.47Å; M290-I313 HydrophobicContact SD-CG1 4.29Å; M290-I313 HydrophobicContact SD-CG2 4.3Å |
| 291 | N | 54.8 | Low | 53.4 | Low | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.016 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 172.7 | 175.8 | 65.9 | 0 | 0 | 0 | 112.3 | L287 D288 A294 K295 G506 S507 | L287-N291 WeakPolarHBondContact O-CB 3.48Å; L287-N291 PolarHBondContact O-N 3.03Å; D288-N291 PolarHBondContact O-N 3.02Å; N291-A294 PolarHBondContact O-N 3.15Å; N291-K295 PolarHBondContact O-N 3.08Å; N291-G506 PolarHBondContact ND2-O 3.17Å; N291-G506 VanDerWaalsContact OD1-CA 3.27Å; N291-G506 WeakPolarHBondContact OD1-CA 3.39Å; N291-S507 VanDerWaalsContact CG-O 3.26Å; N291-S507 VanDerWaalsContact ND2-C 3.34Å; N291-S507 PolarHBondContact ND2-O 2.74Å; N291-S507 PolarHBondContact OD1-O 3.37Å |
| 292 | K | 60.5 | Low | 51.9 | Low | 133 Ų | 133 | 64.4 Ų | 64.4 | 58% | 0.578 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.9 | -40.2 | 171.2 | -73.8 | 173.5 | -177.6 | 172 | 0 | 112 | D288 S289 K295 I296 | D288-K292 WeakPolarHBondContact O-CB 3.27Å; D288-K292 WeakPolarHBondContact O-CG 3.4Å; D288-K292 PolarHBondContact O-N 3.04Å; S289-K292 PolarHBondContact O-N 2.86Å; K292-K295 WeakPolarHBondContact O-CB 3.33Å; K292-K295 PolarHBondContact O-N 3.47Å; K292-I296 WeakPolarHBondContact O-CG1 3.43Å; K292-I296 PolarHBondContact O-N 3.3Å; K292-I296 VanDerWaalsContact O-N 3.12Å |
| 293 | G | 55.5 | Low | 50.4 | Low | 38 Ų | 38 | 66.8 Ų | 66.8 | 39% | 0.392 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S289 M290 K295 I296 S297 | S289-G293 PolarHBondContact O-N 3.4Å; M290-G293 PolarHBondContact O-N 3.12Å; G293-K295 PolarHBondContact O-N 3.33Å; G293-I296 PolarHBondContact O-N 3.18Å; G293-S297 WeakPolarHBondContact O-CB 3.27Å; G293-S297 PolarHBondContact O-N 2.97Å |
| 294 | A | 50.4 | Low | 49.3 | Very low | 22 Ų | 22 | 71.6 Ų | 71.6 | 18% | 0.182 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | M290 N291 S297 S298 | M290-A294 WeakPolarHBondContact O-CB 3.26Å; M290-A294 PolarHBondContact O-N 3.2Å; N291-A294 PolarHBondContact O-N 3.15Å; A294-S297 PolarHBondContact O-N 3.48Å; A294-S298 PolarHBondContact O-N 2.89Å |
| 295 | K | 50.4 | Low | 48.1 | Very low | 92 Ų | 92 | 75 Ų | 75 | 40% | 0.4 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -55.8 | -53.7 | 171.8 | -84.3 | -175.2 | 142.1 | 155.7 | 0 | 112.2 | N291 K292 G293 S297 S298 V299 G506 | N291-K295 PolarHBondContact O-N 3.08Å; K292-K295 WeakPolarHBondContact O-CB 3.33Å; K292-K295 PolarHBondContact O-N 3.47Å; G293-K295 PolarHBondContact O-N 3.33Å; K295-S297 VanDerWaalsContact C-N 3.26Å; K295-S297 PolarHBondContact O-N 3.5Å; K295-S298 PolarHBondContact O-N 3.28Å; K295-S298 PolarHBondContact O-OG 3.38Å; K295-V299 WeakPolarHBondContact O-CG2 3.37Å; K295-V299 PolarHBondContact O-N 2.89Å; K295-G506 WeakPolarHBondContact CD-O 3.38Å; K295-G506 WeakPolarHBondContact CE-O 3.48Å; K295-G506 PolarHBondContact NZ-O 3.09Å |
| 296 | I | 48.1 | Very low | 46.9 | Very low | 123 Ų | 123 | 73.6 Ų | 73.6 | 63% | 0.631 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62 | -40.2 | -175.3 | -64.7 | 164.3 | 0 | 0 | 0 | 109.9 | K292 G293 S298 V299 | K292-I296 WeakPolarHBondContact O-CG1 3.43Å; K292-I296 PolarHBondContact O-N 3.3Å; K292-I296 VanDerWaalsContact O-N 3.12Å; G293-I296 PolarHBondContact O-N 3.18Å; I296-S298 VanDerWaalsContact C-N 3.3Å; I296-S298 PolarHBondContact O-N 2.98Å; I296-V299 PolarHBondContact O-N 2.88Å |
| 297 | S | 41.2 | Very low | 45.7 | Very low | 60 Ų | 60 | 74.9 Ų | 74.9 | 42% | 0.42 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.4 | -26.8 | 175.8 | -170.7 | 0 | 0 | 0 | 0 | 113.7 | G293 A294 K295 | G293-S297 WeakPolarHBondContact O-CB 3.27Å; G293-S297 PolarHBondContact O-N 2.97Å; A294-S297 PolarHBondContact O-N 3.48Å; K295-S297 VanDerWaalsContact C-N 3.26Å; K295-S297 PolarHBondContact O-N 3.5Å |
| 298 | S | 43.8 | Very low | 44.6 | Very low | 87 Ų | 87 | 76.5 Ų | 76.5 | 61% | 0.608 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -77.6 | -19.6 | 178.8 | 74.3 | 0 | 0 | 0 | 0 | 114.1 | A294 K295 I296 | A294-S298 PolarHBondContact O-N 2.89Å; K295-S298 PolarHBondContact O-N 3.28Å; K295-S298 PolarHBondContact O-OG 3.38Å; I296-S298 VanDerWaalsContact C-N 3.3Å; I296-S298 PolarHBondContact O-N 2.98Å |
| 299 | V | 41.3 | Very low | 43.5 | Very low | 123 Ų | 123 | 77.4 Ų | 77.4 | 75% | 0.745 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -91.8 | -14.4 | 180 | -168.2 | 0 | 0 | 0 | 0 | 111.8 | K295 I296 | K295-V299 WeakPolarHBondContact O-CG2 3.37Å; K295-V299 PolarHBondContact O-N 2.89Å; I296-V299 PolarHBondContact O-N 2.88Å |
| 300 | V | 38.3 | Very low | 42.3 | Very low | 114 Ų | 114 | 74.8 Ų | 74.8 | 69% | 0.691 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -124.1 | 96.1 | 178.1 | 178.4 | 0 | 0 | 0 | 0 | 110 | ||
| 301 | G | 28.4 | Very low | 41.7 | Very low | 65 Ų | 65 | 74.2 Ų | 74.2 | 67% | 0.67 | 50% | 0.498 | S | S | * | . | trans | 75.4 | 107.6 | 155.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | S303 | G301-S303 PolarHBondContact O-N 3.45Š| ||
| 302 | S | 37.4 | Very low | 41.1 | Very low | 129 Ų | 129 | 74.2 Ų | 74.2 | 90% | 0.902 | 50% | 0.498 | S | S | * | . | trans | -15.6 | 105.8 | 160.6 | -166.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 303 | S | 32.1 | Very low | 40.4 | Very low | 105 Ų | 105 | 68.4 Ų | 68.4 | 73% | 0.734 | 47% | 0.473 | S | S | * | . | 179.3 | 140.9 | 128.3 | 47.8 | 0 | 0 | 0 | 0 | 113.4 | G301 G305 | G301-S303 PolarHBondContact O-N 3.45Å; S303-G305 PolarHBondContact O-N 3.32Å | |||
| 304 | V | 36.5 | Very low | 39.9 | Very low | 146 Ų | 146 | 66.8 Ų | 66.8 | 89% | 0.885 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 22.7 | -173.9 | 174.7 | 0 | 0 | 0 | 0 | 117.3 | ||
| 305 | G | 35.1 | Very low | 39.5 | Very low | 71 Ų | 71 | 66.5 Ų | 66.5 | 73% | 0.732 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -23.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | S303 | S303-G305 PolarHBondContact O-N 3.32Š|
| 306 | A | 38 | Very low | 39.3 | Very low | 48 Ų | 48 | 65.3 Ų | 65.3 | 40% | 0.397 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -92.7 | -7 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | G308 | A306-G308 PolarHBondContact O-N 3.47Š|
| 307 | V | 35.8 | Very low | 39 | Very low | 85 Ų | 85 | 59.8 Ų | 59.8 | 52% | 0.515 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -75.7 | -23.7 | -171.6 | -176.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 308 | G | 32.8 | Very low | 39.2 | Very low | 36 Ų | 36 | 57.5 Ų | 57.5 | 37% | 0.371 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -74.1 | -34.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A306 S312 | A306-G308 PolarHBondContact O-N 3.47Å; G308-S312 PolarHBondContact O-N 2.9Å |
| 309 | G | 36.4 | Very low | 39.3 | Very low | 32 Ų | 32 | 54.9 Ų | 54.9 | 33% | 0.33 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.2 | -35.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 310 | V | 37.5 | Very low | 39.3 | Very low | 10 Ų | 10 | 50 Ų | 50 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.7 | -36.6 | -178.5 | -160.2 | 0 | 0 | 0 | 0 | 111.2 | L287 S312 I313 V314 L503 | L287-V310 HydrophobicContact CD1-CG1 4.1Å; V310-S312 PolarHBondContact O-N 2.98Å; V310-I313 PolarHBondContact O-N 3.22Å; V310-V314 WeakPolarHBondContact O-CG2 3.33Å; V310-V314 PolarHBondContact O-N 3.15Å; V310-V314 VanDerWaalsContact O-N 3.13Å; V310-L503 HydrophobicContact CB-CB 4.44Å; V310-L503 HydrophobicContact CB-CD1 4.27Å; V310-L503 HydrophobicContact CB-CD2 4.46Å; V310-L503 HydrophobicContact CG1-CB 3.96Å; V310-L503 HydrophobicContact CG1-CD1 3.72Å; V310-L503 HydrophobicContact CG1-CD2 3.23Å; V310-L503 HydrophobicContact CG1-CG 3.76Å |
| 311 | L | 41.2 | Very low | 39.5 | Very low | 36 Ų | 36 | 45.2 Ų | 45.2 | 19% | 0.188 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.8 | -35.3 | 179.3 | -142.4 | 75 | 0 | 0 | 0 | 113.1 | I313 G315 L329 S500 L503 | L311-I313 VanDerWaalsContact C-N 3.33Å; L311-I313 PolarHBondContact O-N 3.08Å; L311-G315 PolarHBondContact O-N 3.47Å; L311-L329 HydrophobicContact CD2-CB 4.43Å; L311-L329 HydrophobicContact CD2-CD1 4.26Å; L311-L329 HydrophobicContact CD2-CD2 3.58Å; L311-L329 HydrophobicContact CD2-CG 4.29Å; L311-S500 VanDerWaalsContact CD1-CA 3.41Å; L311-L503 HydrophobicContact CD1-CD1 4.29Å |
| 312 | S | 43.3 | Very low | 39.9 | Very low | 4 Ų | 4 | 43.7 Ų | 43.7 | 3% | 0.028 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.8 | -30.7 | 177.7 | -77 | 0 | 0 | 0 | 0 | 114.1 | G308 V310 L316 M331 T332 | G308-S312 PolarHBondContact O-N 2.9Å; V310-S312 PolarHBondContact O-N 2.98Å; S312-L316 WeakPolarHBondContact O-CG 3.5Å; S312-L316 PolarHBondContact O-N 3.46Å; S312-M331 PolarHBondContact OG-N 3.08Å; S312-M331 PolarHBondContact OG-O 3.32Å; S312-T332 PolarHBondContact OG-N 2.84Å |
| 313 | I | 44.6 | Very low | 39.9 | Very low | 11 Ų | 11 | 42.6 Ų | 42.6 | 6% | 0.056 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -86.2 | -35.3 | -177.6 | -70.7 | 169 | 0 | 0 | 0 | 110.8 | L287 M290 V310 L311 G315 L316 A317 | L287-I313 HydrophobicContact CD1-CG2 4.46Å; M290-I313 HydrophobicContact CE-CD1 3.23Å; M290-I313 HydrophobicContact SD-CB 4.39Å; M290-I313 HydrophobicContact SD-CD1 3.08Å; M290-I313 WeakPolarHBondContact SD-CD1 3.47Å; M290-I313 HydrophobicContact SD-CG1 4.29Å; M290-I313 HydrophobicContact SD-CG2 4.3Å; V310-I313 PolarHBondContact O-N 3.22Å; L311-I313 VanDerWaalsContact C-N 3.33Å; L311-I313 PolarHBondContact O-N 3.08Å; I313-G315 VanDerWaalsContact C-N 3.31Å; I313-L316 PolarHBondContact O-N 3.49Å; I313-A317 WeakPolarHBondContact O-CB 3.29Å; I313-A317 PolarHBondContact O-N 3.5Å |
| 314 | V | 44.4 | Very low | 40 | Very low | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 165.1 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | L287 V310 A317 L318 L503 V511 | L287-V314 HydrophobicContact CD1-CG2 3.44Å; L287-V314 VanDerWaalsContact CD1-CG2 3.44Å; L287-V314 HydrophobicContact CD2-CG2 3.92Å; L287-V314 HydrophobicContact CG-CG2 4.35Å; V310-V314 WeakPolarHBondContact O-CG2 3.33Å; V310-V314 PolarHBondContact O-N 3.15Å; V310-V314 VanDerWaalsContact O-N 3.13Å; V314-A317 PolarHBondContact O-N 3.28Å; V314-L318 HydrophobicContact CG1-CD1 3.64Å; V314-L318 HydrophobicContact CG1-CG 4.46Å; V314-L318 VanDerWaalsContact O-CB 3.29Å; V314-L318 WeakPolarHBondContact O-CB 3.47Å; V314-L318 WeakPolarHBondContact O-CG 3.41Å; V314-L318 PolarHBondContact O-N 3.37Å; V314-L503 HydrophobicContact CG2-CD1 3.85Å; V314-L503 HydrophobicContact CG2-CD2 4.45Å; V314-V511 HydrophobicContact CG1-CG1 4.41Å; V314-V511 HydrophobicContact CG1-CG2 3.91Å; V314-V511 HydrophobicContact CG2-CG2 4.41Å |
| 315 | G | 43.3 | Very low | 39.7 | Very low | 15 Ų | 15 | 39.2 Ų | 39.2 | 16% | 0.155 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.4 | -48.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L311 I313 L318 I319 | L311-G315 PolarHBondContact O-N 3.47Å; I313-G315 VanDerWaalsContact C-N 3.31Å; G315-L318 PolarHBondContact O-N 3.28Å; G315-I319 WeakPolarHBondContact O-CB 3.41Å; G315-I319 WeakPolarHBondContact O-CD1 3.35Å; G315-I319 WeakPolarHBondContact O-CG1 3.37Å; G315-I319 PolarHBondContact O-N 2.88Å |
| 316 | L | 45 | Very low | 39.7 | Very low | 67 Ų | 67 | 40.1 Ų | 40.1 | 35% | 0.351 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.1 | -40.4 | 179.2 | -80 | 161.6 | 0 | 0 | 0 | 114 | S312 I313 L318 I319 | S312-L316 WeakPolarHBondContact O-CG 3.5Å; S312-L316 PolarHBondContact O-N 3.46Å; I313-L316 PolarHBondContact O-N 3.49Å; L316-L318 VanDerWaalsContact C-N 3.33Å; L316-I319 HydrophobicContact CD2-CD1 4.21Å |
| 317 | A | 42.4 | Very low | 39.8 | Very low | 8 Ų | 8 | 44.9 Ų | 44.9 | 7% | 0.066 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.7 | -27 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I313 V314 F321 I515 | I313-A317 WeakPolarHBondContact O-CB 3.29Å; I313-A317 PolarHBondContact O-N 3.5Å; V314-A317 PolarHBondContact O-N 3.28Å; A317-F321 VanDerWaalsContact O-CD2 3.24Å; A317-F321 WeakPolarHBondContact O-CD2 3.41Å; A317-F321 WeakPolarHBondContact O-CE2 3.26Å; A317-I515 HydrophobicContact CB-CD1 3.71Å |
| 318 | L | 46.3 | Very low | 39.6 | Very low | 12 Ų | 12 | 45.3 Ų | 45.3 | 6% | 0.063 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -103 | -7.8 | -177.8 | -63.2 | 176.2 | 0 | 0 | 0 | 114.6 | V314 G315 L316 P320 F321 T322 I496 V511 | V314-L318 HydrophobicContact CG1-CD1 3.64Å; V314-L318 HydrophobicContact CG1-CG 4.46Å; V314-L318 VanDerWaalsContact O-CB 3.29Å; V314-L318 WeakPolarHBondContact O-CB 3.47Å; V314-L318 WeakPolarHBondContact O-CG 3.41Å; V314-L318 PolarHBondContact O-N 3.37Å; G315-L318 PolarHBondContact O-N 3.28Å; L316-L318 VanDerWaalsContact C-N 3.33Å; L318-P320 VanDerWaalsContact C-N 3.34Å; L318-F321 HydrophobicContact CD2-CD2 4.44Å; L318-F321 PolarHBondContact O-N 3.25Å; L318-F321 VanDerWaalsContact O-N 3.08Å; L318-T322 PolarHBondContact O-OG1 3.35Å; L318-I496 HydrophobicContact CB-CD1 3.8Å; L318-I496 HydrophobicContact CB-CG1 4.03Å; L318-I496 HydrophobicContact CD1-CD1 4.38Å; L318-I496 HydrophobicContact CD1-CG1 3.66Å; L318-I496 HydrophobicContact CG-CG1 4.49Å; L318-V511 HydrophobicContact CD1-CB 4.49Å; L318-V511 HydrophobicContact CD1-CG1 3.77Å; L318-V511 HydrophobicContact CD1-CG2 3.9Å; L318-V511 HydrophobicContact CD2-CG1 3.99Å; L318-V511 HydrophobicContact CG-CG1 3.9Å |
| 319 | I | 44.4 | Very low | 39.8 | Very low | 32 Ų | 32 | 46.8 Ų | 46.8 | 16% | 0.164 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -51.4 | -43.4 | 173.1 | -91.3 | 163.8 | 0 | 0 | 0 | 113.5 | G315 L316 F321 Q359 A362 | G315-I319 WeakPolarHBondContact O-CB 3.41Å; G315-I319 WeakPolarHBondContact O-CD1 3.35Å; G315-I319 WeakPolarHBondContact O-CG1 3.37Å; G315-I319 PolarHBondContact O-N 2.88Å; L316-I319 HydrophobicContact CD2-CD1 4.21Å; I319-F321 PolarHBondContact O-N 2.84Å; I319-Q359 HydrophobicContact CD1-CB 4.26Å; I319-Q359 HydrophobicContact CD1-CG 4.16Å; I319-Q359 HydrophobicContact CG1-CG 4.16Å; I319-Q359 HydrophobicContact CG2-CB 4.39Å; I319-Q359 HydrophobicContact CG2-CG 3.71Å; I319-A362 HydrophobicContact CG2-CB 3.76Å |
| 320 | P | 42 | Very low | 40 | Very low | 20 Ų | 20 | 48.6 Ų | 48.6 | 13% | 0.13 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -72.8 | -18.6 | -178.2 | -3 | 15.3 | 0 | 0 | 0 | 113 | L318 A362 F366 | L318-P320 VanDerWaalsContact C-N 3.34Å; P320-A362 HydrophobicContact CG-CB 4.31Å; P320-F366 HydrophobicContact CB-CB 3.2Å; P320-F366 HydrophobicContact CB-CD1 4.01Å; P320-F366 HydrophobicContact CB-CD2 4.21Å; P320-F366 HydrophobicContact CB-CG 3.56Å; P320-F366 HydrophobicContact CG-CB 4.28Å; P320-F366 WeakPolarHBondContact O-CD1 3.49Å; P320-F366 WeakPolarHBondContact O-CE1 3.48Å |
| 321 | F | 42.5 | Very low | 39.7 | Very low | 14 Ų | 14 | 55 Ų | 55 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -99.4 | 3.2 | -167.3 | -68.7 | -64.4 | 0 | 0 | 0 | 113.6 | F276 L280 A317 L318 I319 F366 M491 | F276-F321 HydrophobicContact CZ-CZ 4.4Å; L280-F321 HydrophobicContact CD1-CE2 3.9Å; L280-F321 HydrophobicContact CD1-CZ 3.87Å; L280-F321 HydrophobicContact CD2-CZ 4.5Å; A317-F321 VanDerWaalsContact O-CD2 3.24Å; A317-F321 WeakPolarHBondContact O-CD2 3.41Å; A317-F321 WeakPolarHBondContact O-CE2 3.26Å; L318-F321 HydrophobicContact CD2-CD2 4.44Å; L318-F321 PolarHBondContact O-N 3.25Å; L318-F321 VanDerWaalsContact O-N 3.08Å; I319-F321 PolarHBondContact O-N 2.84Å; F321-F366 HydrophobicContact CD1-CD2 4.25Å; F321-F366 HydrophobicContact CD1-CE1 4.4Å; F321-F366 AromaticContact CD1-CE2 3.61Å; F321-F366 HydrophobicContact CD1-CE2 3.61Å; F321-F366 AromaticContact CD1-CZ 3.68Å; F321-F366 HydrophobicContact CD1-CZ 3.68Å; F321-F366 AromaticContact CE1-CD2 3.84Å; F321-F366 HydrophobicContact CE1-CD2 3.84Å; F321-F366 AromaticContact CE1-CE2 3.24Å; F321-F366 HydrophobicContact CE1-CE2 3.24Å; F321-F366 AromaticContact CE1-CZ 3.79Å; F321-F366 HydrophobicContact CE1-CZ 3.79Å; F321-F366 HydrophobicContact CZ-CD2 4.27Å; F321-F366 HydrophobicContact CZ-CE2 4.07Å; F321-M491 WeakPolarHBondContact CA-SD 3.3Å; F321-M491 HydrophobicContact CB-CE 4.07Å; F321-M491 HydrophobicContact CB-SD 3.25Å; F321-M491 WeakPolarHBondContact CB-SD 3.34Å; F321-M491 HydrophobicContact CD1-CE 4.13Å; F321-M491 HydrophobicContact CD1-SD 3.26Å; F321-M491 WeakPolarHBondContact CD1-SD 3.38Å; F321-M491 HydrophobicContact CE1-SD 4.39Å; F321-M491 HydrophobicContact CG-SD 3.64Å; F321-M491 WeakPolarHBondContact O-CB 3.41Å; F321-M491 WeakPolarHBondContact O-CE 3.08Å |
| 322 | T | 37.3 | Very low | 39.3 | Very low | 33 Ų | 33 | 59.4 Ų | 59.4 | 20% | 0.202 | 38% | 0.382 | C | S | . | . | trans | -126.7 | 48.4 | -170.6 | 49.3 | 0 | 0 | 0 | 0 | 115 | L318 G324 I496 | L318-T322 PolarHBondContact O-OG1 3.35Å; T322-G324 PolarHBondContact O-N 3.25Å; T322-I496 HydrophobicContact CG2-CD1 3.38Å; T322-I496 HydrophobicContact CG2-CG1 4.14Å | ||
| 323 | A | 37.5 | Very low | 38.6 | Very low | 106 Ų | 106 | 60.3 Ų | 60.3 | 88% | 0.876 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -37.9 | 94.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 324 | G | 34.4 | Very low | 38.2 | Very low | 68 Ų | 68 | 65.5 Ų | 65.5 | 70% | 0.701 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | 58.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | T322 | T322-G324 PolarHBondContact O-N 3.25Š|
| 325 | V | 29.4 | Very low | 37.8 | Very low | 111 Ų | 111 | 68.6 Ų | 68.6 | 67% | 0.673 | 45% | 0.451 | S | S | * | . | trans | -142.2 | 103 | 134.5 | -177.6 | 0 | 0 | 0 | 0 | 110.4 | I493 | V325-I493 HydrophobicContact CB-CD1 3.98Å; V325-I493 HydrophobicContact CG2-CD1 3.61Å | ||
| 326 | S | 35.8 | Very low | 37.5 | Very low | 90 Ų | 90 | 74.4 Ų | 74.4 | 63% | 0.629 | 48% | 0.476 | S | S | * | . | trans | -21 | 133.4 | 161.5 | 160.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 327 | L | 38.7 | Very low | 37 | Very low | 148 Ų | 148 | 75 Ų | 75 | 78% | 0.775 | 50% | 0.498 | S | S | * | . | trans | 59.2 | 111.1 | 146.1 | -81.4 | 102.7 | 0 | 0 | 0 | 119.3 | ||||
| 328 | A | 32 | Very low | 36.7 | Very low | 95 Ų | 95 | 80.9 Ų | 80.9 | 79% | 0.785 | 53% | 0.533 | S | S | * | . | trans | -175 | -21.7 | 132.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 329 | L | 36.8 | Very low | 36 | Very low | 66 Ų | 66 | 86.2 Ų | 86.2 | 35% | 0.346 | 57% | 0.566 | S | S | . | * | trans | -106.2 | 31.1 | -164.1 | -67.1 | -178 | 0 | 0 | 0 | 117 | L311 I496 | L311-L329 HydrophobicContact CD2-CB 4.43Å; L311-L329 HydrophobicContact CD2-CD1 4.26Å; L311-L329 HydrophobicContact CD2-CD2 3.58Å; L311-L329 HydrophobicContact CD2-CG 4.29Å; L329-I496 HydrophobicContact CD1-CG2 4.07Å | ||
| 330 | T | 41.8 | Very low | 35.3 | Very low | 71 Ų | 71 | 90.6 Ų | 90.6 | 44% | 0.436 | 60% | 0.6 | S | S | . | * | trans | -95.4 | 97.5 | 170.1 | -39.1 | 0 | 0 | 0 | 0 | 110.3 | N355 | T330-N355 WeakPolarHBondContact CB-OD1 3.35Å; T330-N355 VanDerWaalsContact CG2-OD1 3.28Å; T330-N355 WeakPolarHBondContact CG2-OD1 3.31Å; T330-N355 PolarHBondContact OG1-ND2 2.98Å; T330-N355 PolarHBondContact OG1-OD1 2.75Å | ||
| 331 | M | 30.9 | Very low | 34.7 | Very low | 145 Ų | 145 | 92.7 Ų | 92.7 | 71% | 0.714 | 63% | 0.625 | S | S | * | * | trans | -126.9 | 76.2 | 164.9 | -96.6 | -162.2 | -71.8 | 0 | 0 | 110.6 | S312 | S312-M331 PolarHBondContact OG-N 3.08Å; S312-M331 PolarHBondContact OG-O 3.32Å | ||
| 332 | T | 31.9 | Very low | 34 | Very low | 127 Ų | 127 | 99 Ų | 99 | 78% | 0.779 | 66% | 0.664 | S | S | * | * | trans | 37.7 | 122.9 | 160 | 7.5 | 0 | 0 | 0 | 0 | 119.9 | S312 | S312-T332 PolarHBondContact OG-N 2.84Š| ||
| 333 | G | 28.1 | Very low | 33.7 | Very low | 24 Ų | 24 | 105.3 Ų | 105.3 | 25% | 0.247 | 70% | 0.697 | C | S | . | * | trans | 170.7 | 97.5 | 155.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 334 | I | 37.7 | Very low | 33.1 | Very low | 120 Ų | 120 | 105.8 Ų | 105.8 | 62% | 0.615 | 69% | 0.694 | S | S | * | * | trans | 85.8 | 111.8 | 151 | -50.4 | 175.6 | 0 | 0 | 0 | 119.7 | ||||
| 335 | G | 35.9 | Very low | 33 | Very low | 68 Ų | 68 | 110 Ų | 110 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | 75.4 | 82.5 | 117.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 336 | M | 37.1 | Very low | 32.9 | Very low | 137 Ų | 137 | 110.3 Ų | 110.3 | 68% | 0.675 | 70% | 0.7 | S | S | * | * | trans | -99.5 | 113.3 | 161 | -74.8 | -177.2 | 82.9 | 0 | 0 | 110.4 | E279 V338 | E279-M336 WeakPolarHBondContact OE1-CE 3.48Å; M336-V338 PolarHBondContact O-N 3.32Å | ||
| 337 | G | 33.7 | Very low | 32.5 | Very low | 80 Ų | 80 | 111.5 Ų | 111.5 | 83% | 0.825 | 70% | 0.704 | S | S | * | * | trans | -59.3 | 121.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 338 | V | 35.7 | Very low | 32 | Very low | 131 Ų | 131 | 110.7 Ų | 110.7 | 79% | 0.794 | 71% | 0.705 | S | S | * | * | trans | -118 | 136.6 | 144.2 | -174.4 | 0 | 0 | 0 | 0 | 105.3 | M336 | M336-V338 PolarHBondContact O-N 3.32Š| ||
| 339 | T | 31.7 | Very low | 31.8 | Very low | 124 Ų | 124 | 110 Ų | 110 | 76% | 0.761 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 105.1 | 110.8 | 171.3 | 77.6 | 0 | 0 | 0 | 0 | 116.4 | ||
| 340 | S | 31.3 | Very low | 31.2 | Very low | 124 Ų | 124 | 113 Ų | 113 | 87% | 0.867 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -37.3 | 131.8 | 158.2 | 53.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 341 | G | 27.7 | Very low | 30.5 | Very low | 65 Ų | 65 | 118 Ų | 118 | 67% | 0.67 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 104.5 | 105.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 342 | V | 29.3 | Very low | 30.5 | Very low | 145 Ų | 145 | 120.2 Ų | 120.2 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 37.2 | 127.7 | 152 | -77.5 | 0 | 0 | 0 | 0 | 120.1 | ||
| 343 | N | 31.1 | Very low | 30.6 | Very low | 167 Ų | 167 | 117.6 Ų | 117.6 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | trans | 75 | 107.2 | 172.7 | -78.1 | -1.8 | 0 | 0 | 0 | 117.6 | ||||
| 344 | S | 25 | Very low | 31.2 | Very low | 116 Ų | 116 | 121 Ų | 121 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | -165.9 | 103.2 | 128.7 | -162.2 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 345 | I | 32 | Very low | 31.8 | Very low | 157 Ų | 157 | 118.7 Ų | 118.7 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | trans | -88.5 | 149.6 | 157.2 | -60.6 | 176.9 | 0 | 0 | 0 | 105.8 | ||||
| 346 | V | 26.3 | Very low | 32 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 70% | 0.703 | 76% | 0.758 | S | S | * | * | trans | 93 | 121 | 166.6 | -169.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 347 | T | 27.1 | Very low | 32.1 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | -173.1 | 121.9 | 106.7 | -55 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 348 | T | 29.4 | Very low | 32.5 | Very low | 130 Ų | 130 | 123.8 Ų | 123.8 | 80% | 0.798 | 73% | 0.732 | S | S | * | * | trans | -94.9 | 137.2 | 172.6 | -56.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 349 | A | 27.8 | Very low | 33 | Very low | 82 Ų | 82 | 121.9 Ų | 121.9 | 68% | 0.678 | 72% | 0.715 | S | S | * | * | trans | 77.6 | 136.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 350 | T | 23.2 | Very low | 33.8 | Very low | 127 Ų | 127 | 122.4 Ų | 122.4 | 78% | 0.779 | 71% | 0.706 | S | S | * | * | trans | 86 | 127.6 | 160.3 | -19.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 351 | E | 27.1 | Very low | 34.7 | Very low | 178 Ų | 178 | 122.3 Ų | 122.3 | 83% | 0.832 | 69% | 0.69 | S | S | * | * | cis | -155.4 | 164.2 | 24.5 | -145.9 | 160.5 | -141.4 | 0 | 0 | 110.9 | ||||
| 352 | M | 31.8 | Very low | 35.8 | Very low | 190 Ų | 190 | 120.4 Ų | 120.4 | 94% | 0.936 | 67% | 0.668 | S | S | * | * | trans | -47.1 | 125.5 | -178.1 | -71 | 157.3 | 31.8 | 0 | 0 | 115.2 | ||||
| 353 | G | 33.3 | Very low | 36.8 | Very low | 72 Ų | 72 | 116 Ų | 116 | 74% | 0.742 | 64% | 0.644 | S | S | * | * | trans | 151.7 | 13.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 354 | V | 40.4 | Very low | 37.9 | Very low | 95 Ų | 95 | 112.6 Ų | 112.6 | 58% | 0.576 | 62% | 0.623 | S | S | * | * | trans | -134.4 | 88.1 | 179.3 | -170.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 355 | N | 50.1 | Low | 39.5 | Very low | 72 Ų | 72 | 110.3 Ų | 110.3 | 39% | 0.385 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -125.6 | 14.9 | -179.4 | -161.1 | 26.9 | 0 | 0 | 0 | 114.8 | T330 | T330-N355 WeakPolarHBondContact CB-OD1 3.35Å; T330-N355 VanDerWaalsContact CG2-OD1 3.28Å; T330-N355 WeakPolarHBondContact CG2-OD1 3.31Å; T330-N355 PolarHBondContact OG1-ND2 2.98Å; T330-N355 PolarHBondContact OG1-OD1 2.75Å |
| 356 | R | 41.1 | Very low | 40.7 | Very low | 214 Ų | 214 | 103.6 Ų | 103.6 | 81% | 0.808 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -119.7 | -40.2 | 177.2 | -75.4 | -176.3 | 177.1 | 155.1 | -0.8 | 113.7 | K360 | R356-K360 WeakPolarHBondContact O-CB 3.44Å; R356-K360 PolarHBondContact O-N 3.47Å |
| 357 | T | 39 | Very low | 42.2 | Very low | 80 Ų | 80 | 104 Ų | 104 | 49% | 0.491 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.9 | -38.9 | -174.5 | -46.2 | 0 | 0 | 0 | 0 | 112.8 | K361 | T357-K361 WeakPolarHBondContact O-CG 3.4Å; T357-K361 PolarHBondContact O-N 2.87Å |
| 358 | H | 42.6 | Very low | 43.9 | Very low | 99 Ų | 99 | 100.4 Ų | 100.4 | 46% | 0.458 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -75.1 | -37.9 | 179.8 | -65 | -68.6 | 0 | 0 | 0 | 112.6 | K360 K361 A362 | H358-K360 VanDerWaalsContact C-N 3.35Å; H358-K361 PolarHBondContact O-N 3.28Å; H358-A362 PolarHBondContact O-N 2.9Å; H358-A362 VanDerWaalsContact O-N 3.12Å |
| 359 | Q | 45.4 | Very low | 45.8 | Very low | 91 Ų | 91 | 94.4 Ų | 94.4 | 43% | 0.425 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 174.3 | -172.2 | 180 | 3.2 | 0 | 0 | 111.7 | I319 A362 S363 | I319-Q359 HydrophobicContact CD1-CB 4.26Å; I319-Q359 HydrophobicContact CD1-CG 4.16Å; I319-Q359 HydrophobicContact CG1-CG 4.16Å; I319-Q359 HydrophobicContact CG2-CB 4.39Å; I319-Q359 HydrophobicContact CG2-CG 3.71Å; Q359-A362 PolarHBondContact O-N 2.86Å; Q359-S363 WeakPolarHBondContact O-CB 3.38Å; Q359-S363 PolarHBondContact O-N 3.32Å |
| 360 | K | 48.9 | Very low | 47.3 | Very low | 134 Ų | 134 | 92.4 Ų | 92.4 | 58% | 0.583 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.9 | -46.8 | 177.2 | -178.4 | 172 | 172.9 | 176.1 | 0 | 111.7 | R356 H358 S363 E364 | R356-K360 WeakPolarHBondContact O-CB 3.44Å; R356-K360 PolarHBondContact O-N 3.47Å; H358-K360 VanDerWaalsContact C-N 3.35Å; K360-S363 PolarHBondContact O-N 2.87Å; K360-E364 WeakPolarHBondContact CE-OE1 3.41Å; K360-E364 HydrophobicContact CG-CG 4.45Å; K360-E364 WeakPolarHBondContact CG-OE1 3.4Å; K360-E364 IonicContact NZ-OE1 3.95Å; K360-E364 WeakPolarHBondContact O-CB 3.4Å; K360-E364 VanDerWaalsContact O-CG 3.25Å; K360-E364 WeakPolarHBondContact O-CG 3.27Å; K360-E364 PolarHBondContact O-N 3.48Å |
| 361 | K | 51 | Low | 49.5 | Very low | 123 Ų | 123 | 91.4 Ų | 91.4 | 54% | 0.535 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 178.9 | -74.7 | 179.9 | 176.9 | -171.1 | 0 | 112.9 | T357 H358 E364 V365 | T357-K361 WeakPolarHBondContact O-CG 3.4Å; T357-K361 PolarHBondContact O-N 2.87Å; H358-K361 PolarHBondContact O-N 3.28Å; K361-E364 PolarHBondContact O-N 3.31Å; K361-V365 WeakPolarHBondContact O-CG2 3.14Å; K361-V365 PolarHBondContact O-N 3.41Å |
| 362 | A | 49.2 | Very low | 51.9 | Low | 24 Ų | 24 | 83 Ų | 83 | 20% | 0.198 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I319 P320 H358 Q359 V365 F366 | I319-A362 HydrophobicContact CG2-CB 3.76Å; P320-A362 HydrophobicContact CG-CB 4.31Å; H358-A362 PolarHBondContact O-N 2.9Å; H358-A362 VanDerWaalsContact O-N 3.12Å; Q359-A362 PolarHBondContact O-N 2.86Å; A362-V365 PolarHBondContact O-N 3.35Å; A362-F366 PolarHBondContact O-N 3.41Å; A362-F366 VanDerWaalsContact O-N 3.15Å |
| 363 | S | 50.9 | Low | 53.8 | Low | 54 Ų | 54 | 74 Ų | 74 | 38% | 0.378 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 173 | -175.1 | 0 | 0 | 0 | 0 | 112.3 | Q359 K360 Q367 | Q359-S363 WeakPolarHBondContact O-CB 3.38Å; Q359-S363 PolarHBondContact O-N 3.32Å; K360-S363 PolarHBondContact O-N 2.87Å; S363-Q367 VanDerWaalsContact O-CB 3.23Å; S363-Q367 WeakPolarHBondContact O-CB 3.29Å; S363-Q367 PolarHBondContact O-N 3.46Å |
| 364 | E | 54.7 | Low | 55.6 | Low | 95 Ų | 95 | 71.9 Ų | 71.9 | 44% | 0.444 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 177.4 | -76.3 | 167.5 | 175.1 | 0 | 0 | 111.6 | K360 K361 Q367 S368 | K360-E364 WeakPolarHBondContact CE-OE1 3.41Å; K360-E364 HydrophobicContact CG-CG 4.45Å; K360-E364 WeakPolarHBondContact CG-OE1 3.4Å; K360-E364 IonicContact NZ-OE1 3.95Å; K360-E364 WeakPolarHBondContact O-CB 3.4Å; K360-E364 VanDerWaalsContact O-CG 3.25Å; K360-E364 WeakPolarHBondContact O-CG 3.27Å; K360-E364 PolarHBondContact O-N 3.48Å; K361-E364 PolarHBondContact O-N 3.31Å; E364-Q367 PolarHBondContact O-N 3.24Å; E364-S368 WeakPolarHBondContact O-CB 3.44Å; E364-S368 PolarHBondContact O-N 3.13Å |
| 365 | V | 57.6 | Low | 57.5 | Low | 68 Ų | 68 | 70.9 Ų | 70.9 | 41% | 0.412 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64 | -45.4 | 178.3 | 169.2 | 0 | 0 | 0 | 0 | 111.6 | F276 K361 A362 S368 F369 | F276-V365 HydrophobicContact CD2-CG1 3.57Å; F276-V365 HydrophobicContact CE2-CG1 3.95Å; K361-V365 WeakPolarHBondContact O-CG2 3.14Å; K361-V365 PolarHBondContact O-N 3.41Å; A362-V365 PolarHBondContact O-N 3.35Å; V365-S368 WeakPolarHBondContact O-CB 3.49Å; V365-S368 PolarHBondContact O-N 2.63Å; V365-F369 PolarHBondContact O-N 2.79Å |
| 366 | F | 57.4 | Low | 59.1 | Low | 16 Ų | 16 | 67.4 Ų | 67.4 | 7% | 0.07 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.2 | -39.2 | 177.2 | 178.7 | -107.3 | 0 | 0 | 0 | 112.6 | F276 P320 F321 A362 S368 F369 M370 F488 M491 | F276-F366 HydrophobicContact CE1-CD2 4.32Å; F276-F366 HydrophobicContact CE2-CD2 4.45Å; F276-F366 AromaticContact CZ-CD2 3.72Å; F276-F366 HydrophobicContact CZ-CD2 3.72Å; P320-F366 HydrophobicContact CB-CB 3.2Å; P320-F366 HydrophobicContact CB-CD1 4.01Å; P320-F366 HydrophobicContact CB-CD2 4.21Å; P320-F366 HydrophobicContact CB-CG 3.56Å; P320-F366 HydrophobicContact CG-CB 4.28Å; P320-F366 WeakPolarHBondContact O-CD1 3.49Å; P320-F366 WeakPolarHBondContact O-CE1 3.48Å; F321-F366 HydrophobicContact CD1-CD2 4.25Å; F321-F366 HydrophobicContact CD1-CE1 4.4Å; F321-F366 AromaticContact CD1-CE2 3.61Å; F321-F366 HydrophobicContact CD1-CE2 3.61Å; F321-F366 AromaticContact CD1-CZ 3.68Å; F321-F366 HydrophobicContact CD1-CZ 3.68Å; F321-F366 AromaticContact CE1-CD2 3.84Å; F321-F366 HydrophobicContact CE1-CD2 3.84Å; F321-F366 AromaticContact CE1-CE2 3.24Å; F321-F366 HydrophobicContact CE1-CE2 3.24Å; F321-F366 AromaticContact CE1-CZ 3.79Å; F321-F366 HydrophobicContact CE1-CZ 3.79Å; F321-F366 HydrophobicContact CZ-CD2 4.27Å; F321-F366 HydrophobicContact CZ-CE2 4.07Å; A362-F366 PolarHBondContact O-N 3.41Å; A362-F366 VanDerWaalsContact O-N 3.15Å; F366-S368 VanDerWaalsContact C-N 3.26Å; F366-S368 PolarHBondContact O-N 2.91Å; F366-F369 HydrophobicContact CD2-CD1 4.49Å; F366-F369 HydrophobicContact CE2-CD1 4.46Å; F366-F369 WeakPolarHBondContact O-CB 3.3Å; F366-F369 PolarHBondContact O-N 3.1Å; F366-F369 VanDerWaalsContact O-N 3.13Å; F366-M370 HydrophobicContact CD1-CG 3.87Å; F366-M370 HydrophobicContact CD1-SD 4.43Å; F366-M370 HydrophobicContact CD2-CG 4.44Å; F366-M370 HydrophobicContact CE1-CG 3.58Å; F366-M370 HydrophobicContact CE1-SD 3.55Å; F366-M370 VanDerWaalsContact CE1-SD 3.55Å; F366-M370 HydrophobicContact CE2-CG 4.17Å; F366-M370 HydrophobicContact CE2-SD 4.17Å; F366-M370 HydrophobicContact CG-CG 4.31Å; F366-M370 HydrophobicContact CZ-CG 3.75Å; F366-M370 HydrophobicContact CZ-SD 3.4Å; F366-M370 WeakPolarHBondContact CZ-SD 3.46Å; F366-M370 WeakPolarHBondContact O-CB 3.44Å; F366-M370 WeakPolarHBondContact O-CG 3.48Å; F366-M370 PolarHBondContact O-N 3.01Å; F366-F488 HydrophobicContact CE2-CD1 4.4Å; F366-F488 AromaticContact CE2-CE1 3.97Å; F366-F488 HydrophobicContact CE2-CE1 3.97Å; F366-F488 AromaticContact CZ-CD1 3.79Å; F366-F488 HydrophobicContact CZ-CD1 3.79Å; F366-F488 AromaticContact CZ-CE1 3.75Å; F366-F488 HydrophobicContact CZ-CE1 3.75Å; F366-M491 HydrophobicContact CE1-CE 4.41Å; F366-M491 HydrophobicContact CZ-CE 4.34Å |
| 367 | Q | 57.9 | Low | 60.7 | Low | 124 Ų | 124 | 57.9 Ų | 57.9 | 58% | 0.579 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -60.8 | -39.8 | 173.9 | -173.6 | 173.9 | 6.8 | 0 | 0 | 111.1 | S363 E364 M370 E371 | S363-Q367 VanDerWaalsContact O-CB 3.23Å; S363-Q367 WeakPolarHBondContact O-CB 3.29Å; S363-Q367 PolarHBondContact O-N 3.46Å; E364-Q367 PolarHBondContact O-N 3.24Å; Q367-M370 WeakPolarHBondContact O-CB 3.02Å; Q367-M370 PolarHBondContact O-N 3.35Å; Q367-E371 WeakPolarHBondContact O-CB 3.45Å; Q367-E371 PolarHBondContact O-N 3.31Å |
| 368 | S | 63.6 | Low | 62.7 | Low | 40 Ų | 40 | 57.4 Ų | 57.4 | 28% | 0.28 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 172.3 | -178.2 | 0 | 0 | 0 | 0 | 111.8 | E364 V365 F366 E371 D372 | E364-S368 WeakPolarHBondContact O-CB 3.44Å; E364-S368 PolarHBondContact O-N 3.13Å; V365-S368 WeakPolarHBondContact O-CB 3.49Å; V365-S368 PolarHBondContact O-N 2.63Å; F366-S368 VanDerWaalsContact C-N 3.26Å; F366-S368 PolarHBondContact O-N 2.91Å; S368-E371 PolarHBondContact O-N 2.9Å; S368-D372 WeakPolarHBondContact O-CB 3.37Å; S368-D372 PolarHBondContact O-N 3.05Å |
| 369 | F | 67.7 | Low | 64.7 | Low | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 176.2 | 173.7 | -97.7 | 0 | 0 | 0 | 112.1 | M273 F276 L277 V365 F366 E371 D372 V373 F488 W522 | M273-F369 HydrophobicContact CB-CD2 4.18Å; M273-F369 HydrophobicContact CB-CE2 4.05Å; M273-F369 HydrophobicContact CG-CD2 3.97Å; M273-F369 HydrophobicContact CG-CE2 4.08Å; F276-F369 HydrophobicContact CB-CD2 4.05Å; F276-F369 HydrophobicContact CD1-CB 3.96Å; F276-F369 AromaticContact CD1-CD1 3.92Å; F276-F369 HydrophobicContact CD1-CD1 3.92Å; F276-F369 AromaticContact CD1-CD2 3.39Å; F276-F369 HydrophobicContact CD1-CD2 3.39Å; F276-F369 HydrophobicContact CD1-CE1 4.28Å; F276-F369 AromaticContact CD1-CE2 3.8Å; F276-F369 HydrophobicContact CD1-CE2 3.8Å; F276-F369 AromaticContact CD1-CG 3.46Å; F276-F369 HydrophobicContact CD1-CG 3.46Å; F276-F369 VanDerWaalsContact CD1-CG 3.46Å; F276-F369 HydrophobicContact CD1-CZ 4.22Å; F276-F369 HydrophobicContact CD2-CB 4.42Å; F276-F369 HydrophobicContact CE1-CB 4.25Å; F276-F369 AromaticContact CE1-CD1 3.79Å; F276-F369 HydrophobicContact CE1-CD1 3.79Å; F276-F369 HydrophobicContact CE1-CD2 4.14Å; F276-F369 HydrophobicContact CE1-CE1 4.16Å; F276-F369 HydrophobicContact CE1-CE2 4.47Å; F276-F369 AromaticContact CE1-CG 3.78Å; F276-F369 HydrophobicContact CE1-CG 3.78Å; F276-F369 HydrophobicContact CE1-CZ 4.49Å; F276-F369 HydrophobicContact CG-CB 4.06Å; F276-F369 AromaticContact CG-CD2 3.91Å; F276-F369 HydrophobicContact CG-CD2 3.91Å; F276-F369 HydrophobicContact CG-CG 4.01Å; L277-F369 HydrophobicContact CD2-CE2 4.25Å; L277-F369 HydrophobicContact CD2-CZ 4.15Å; L277-F369 HydrophobicContact CG-CE2 4.26Å; V365-F369 PolarHBondContact O-N 2.79Å; F366-F369 HydrophobicContact CD2-CD1 4.49Å; F366-F369 HydrophobicContact CE2-CD1 4.46Å; F366-F369 WeakPolarHBondContact O-CB 3.3Å; F366-F369 PolarHBondContact O-N 3.1Å; F366-F369 VanDerWaalsContact O-N 3.13Å; F369-E371 PolarHBondContact O-N 3.34Å; F369-D372 WeakPolarHBondContact O-CB 3.28Å; F369-D372 PolarHBondContact O-N 3.42Å; F369-V373 HydrophobicContact CD1-CG2 4.37Å; F369-V373 HydrophobicContact CE1-CG2 3.86Å; F369-V373 HydrophobicContact CE2-CG2 4.05Å; F369-V373 HydrophobicContact CZ-CG2 3.68Å; F369-V373 WeakPolarHBondContact O-CB 3.39Å; F369-V373 WeakPolarHBondContact O-CG2 3.48Å; F369-V373 PolarHBondContact O-N 2.63Å; F369-F488 HydrophobicContact CE1-CZ 4.35Å; F369-W522 AromaticContact CE1-CD2 3.96Å; F369-W522 HydrophobicContact CE1-CD2 3.96Å; F369-W522 AromaticContact CE1-CE2 3.99Å; F369-W522 HydrophobicContact CE1-CE3 4.37Å; F369-W522 HydrophobicContact CE1-CG 4.2Å; F369-W522 HydrophobicContact CE1-CZ2 4.46Å; F369-W522 HydrophobicContact CZ-CB 4.18Å; F369-W522 AromaticContact CZ-CD2 3.79Å; F369-W522 HydrophobicContact CZ-CD2 3.79Å; F369-W522 HydrophobicContact CZ-CE3 4.04Å; F369-W522 AromaticContact CZ-CG 3.84Å; F369-W522 HydrophobicContact CZ-CG 3.84Å |
| 370 | M | 61.3 | Low | 66.6 | Low | 41 Ų | 41 | 49.7 Ų | 49.7 | 20% | 0.202 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.5 | -46.3 | 176.3 | -67.9 | -92.7 | -50.4 | 0 | 0 | 111.4 | F366 Q367 D372 T374 V484 F488 | F366-M370 HydrophobicContact CD1-CG 3.87Å; F366-M370 HydrophobicContact CD1-SD 4.43Å; F366-M370 HydrophobicContact CD2-CG 4.44Å; F366-M370 HydrophobicContact CE1-CG 3.58Å; F366-M370 HydrophobicContact CE1-SD 3.55Å; F366-M370 VanDerWaalsContact CE1-SD 3.55Å; F366-M370 HydrophobicContact CE2-CG 4.17Å; F366-M370 HydrophobicContact CE2-SD 4.17Å; F366-M370 HydrophobicContact CG-CG 4.31Å; F366-M370 HydrophobicContact CZ-CG 3.75Å; F366-M370 HydrophobicContact CZ-SD 3.4Å; F366-M370 WeakPolarHBondContact CZ-SD 3.46Å; F366-M370 WeakPolarHBondContact O-CB 3.44Å; F366-M370 WeakPolarHBondContact O-CG 3.48Å; F366-M370 PolarHBondContact O-N 3.01Å; Q367-M370 WeakPolarHBondContact O-CB 3.02Å; Q367-M370 PolarHBondContact O-N 3.35Å; M370-D372 VanDerWaalsContact C-N 3.3Å; M370-T374 VanDerWaalsContact O-CB 3.27Å; M370-T374 WeakPolarHBondContact O-CB 3.43Å; M370-T374 PolarHBondContact O-N 2.98Å; M370-T374 PolarHBondContact O-OG1 2.96Å; M370-V484 HydrophobicContact CE-CG1 4.19Å; M370-F488 HydrophobicContact CE-CB 4.43Å; M370-F488 HydrophobicContact CE-CD1 4.38Å; M370-F488 HydrophobicContact CE-CD2 3.42Å; M370-F488 VanDerWaalsContact CE-CD2 3.42Å; M370-F488 HydrophobicContact CE-CE2 3.67Å; M370-F488 HydrophobicContact CE-CG 3.84Å; M370-F488 HydrophobicContact CE-CZ 4.2Å; M370-F488 HydrophobicContact CG-CE1 4.41Å; M370-F488 HydrophobicContact CG-CZ 4.19Å; M370-F488 HydrophobicContact SD-CB 4.42Å; M370-F488 HydrophobicContact SD-CD1 3.38Å; M370-F488 WeakPolarHBondContact SD-CD1 3.48Å; M370-F488 HydrophobicContact SD-CD2 3.33Å; M370-F488 WeakPolarHBondContact SD-CD2 3.42Å; M370-F488 HydrophobicContact SD-CE1 3.18Å; M370-F488 WeakPolarHBondContact SD-CE1 3.36Å; M370-F488 HydrophobicContact SD-CE2 3.2Å; M370-F488 WeakPolarHBondContact SD-CE2 3.4Å; M370-F488 HydrophobicContact SD-CG 3.45Å; M370-F488 WeakPolarHBondContact SD-CG 3.24Å; M370-F488 HydrophobicContact SD-CZ 3.09Å; M370-F488 WeakPolarHBondContact SD-CZ 3.45Å |
| 371 | E | 69.2 | Low | 68.1 | Low | 106 Ų | 106 | 44.6 Ų | 44.6 | 50% | 0.495 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.6 | -41.1 | 177 | -175.2 | 179.6 | 172.1 | 0 | 0 | 110.8 | Q367 S368 F369 T374 K375 | Q367-E371 WeakPolarHBondContact O-CB 3.45Å; Q367-E371 PolarHBondContact O-N 3.31Å; S368-E371 PolarHBondContact O-N 2.9Å; F369-E371 PolarHBondContact O-N 3.34Å; E371-T374 PolarHBondContact O-N 3.25Å; E371-K375 PolarHBondContact O-N 3.41Å |
| 372 | D | 77.5 | Confident | 69.7 | Low | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.011 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.4 | -51.1 | 178 | -74.1 | -20.7 | 0 | 0 | 0 | 111.8 | R269 R272 M273 S368 F369 M370 T374 K375 L376 | R269-D372 HydrophobicContact CB-CB 4.1Å; R269-D372 WeakPolarHBondContact CD-OD1 3.46Å; R269-D372 HydrophobicContact CG-CB 4.25Å; R269-D372 WeakPolarHBondContact CG-OD1 3.44Å; R269-D372 IonicContact CZ-OD1 3.58Å; R269-D372 IonicContact NE-OD1 3.24Å; R269-D372 IonicContact NH1-OD1 2.69Å; R269-D372 PolarHBondContact NH1-OD1 3.4Å; R272-D372 IonicContact CZ-OD1 3.33Å; R272-D372 IonicContact CZ-OD2 3.09Å; R272-D372 IonicContact NE-OD1 3.74Å; R272-D372 IonicContact NE-OD2 2.59Å; R272-D372 PolarHBondContact NE-OD2 2.86Å; R272-D372 IonicContact NH2-OD1 2.91Å; R272-D372 PolarHBondContact NH2-OD1 3.23Å; R272-D372 IonicContact NH2-OD2 3.76Å; M273-D372 HydrophobicContact CG-CB 3.76Å; M273-D372 HydrophobicContact SD-CB 3.83Å; S368-D372 WeakPolarHBondContact O-CB 3.37Å; S368-D372 PolarHBondContact O-N 3.05Å; F369-D372 WeakPolarHBondContact O-CB 3.28Å; F369-D372 PolarHBondContact O-N 3.42Å; M370-D372 VanDerWaalsContact C-N 3.3Å; D372-T374 VanDerWaalsContact C-N 3.34Å; D372-T374 PolarHBondContact O-N 2.89Å; D372-K375 PolarHBondContact O-N 2.91Å; D372-L376 PolarHBondContact O-N 2.97Å |
| 373 | V | 70.1 | Confident | 71.3 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.4 | -46.7 | 174.1 | 157.9 | 0 | 0 | 0 | 0 | 111.7 | M273 F369 K375 L376 Q377 W522 W529 | M273-V373 HydrophobicContact CE-CG2 4.13Å; F369-V373 HydrophobicContact CD1-CG2 4.37Å; F369-V373 HydrophobicContact CE1-CG2 3.86Å; F369-V373 HydrophobicContact CE2-CG2 4.05Å; F369-V373 HydrophobicContact CZ-CG2 3.68Å; F369-V373 WeakPolarHBondContact O-CB 3.39Å; F369-V373 WeakPolarHBondContact O-CG2 3.48Å; F369-V373 PolarHBondContact O-N 2.63Å; V373-K375 VanDerWaalsContact C-N 3.31Å; V373-K375 PolarHBondContact O-N 3.3Å; V373-L376 PolarHBondContact O-N 3.45Å; V373-Q377 WeakPolarHBondContact O-CG 3.49Å; V373-Q377 PolarHBondContact O-N 3.4Å; V373-W522 HydrophobicContact CB-CH2 4.43Å; V373-W522 HydrophobicContact CB-CZ3 4.15Å; V373-W522 HydrophobicContact CG1-CH2 3.51Å; V373-W522 HydrophobicContact CG1-CZ3 3.39Å; V373-W522 HydrophobicContact CG2-CE3 4.01Å; V373-W522 HydrophobicContact CG2-CH2 4.2Å; V373-W522 HydrophobicContact CG2-CZ3 3.63Å; V373-W529 HydrophobicContact CB-CH2 4.43Å; V373-W529 HydrophobicContact CG1-CH2 4.13Å; V373-W529 HydrophobicContact CG2-CH2 4.35Å; V373-W529 HydrophobicContact CG2-CZ3 4.3Å |
| 374 | T | 71.1 | Confident | 72.9 | Confident | 27 Ų | 27 | 39.8 Ų | 39.8 | 17% | 0.166 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.6 | -43.1 | -177 | -61 | 0 | 0 | 0 | 0 | 110.3 | M370 E371 D372 L376 Q377 E378 V484 | M370-T374 VanDerWaalsContact O-CB 3.27Å; M370-T374 WeakPolarHBondContact O-CB 3.43Å; M370-T374 PolarHBondContact O-N 2.98Å; M370-T374 PolarHBondContact O-OG1 2.96Å; E371-T374 PolarHBondContact O-N 3.25Å; D372-T374 VanDerWaalsContact C-N 3.34Å; D372-T374 PolarHBondContact O-N 2.89Å; T374-L376 PolarHBondContact O-N 3.37Å; T374-Q377 PolarHBondContact O-N 3.29Å; T374-E378 HydrophobicContact CG2-CG 4.22Å; T374-E378 WeakPolarHBondContact CG2-OE1 3.47Å; T374-E378 WeakPolarHBondContact O-CB 3.45Å; T374-E378 VanDerWaalsContact O-CG 3.3Å; T374-E378 WeakPolarHBondContact O-CG 3.42Å; T374-E378 PolarHBondContact O-N 3.48Å; T374-V484 HydrophobicContact CG2-CG2 3.97Å; T374-V484 WeakPolarHBondContact OG1-CG1 3.16Å |
| 375 | K | 81.7 | Confident | 74 | Confident | 74 Ų | 74 | 38.9 Ų | 38.9 | 32% | 0.322 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.1 | -42.3 | 179.1 | -120.8 | 72 | -170 | 137.9 | 0 | 112.8 | E371 D372 V373 Q377 E378 C379 | E371-K375 PolarHBondContact O-N 3.41Å; D372-K375 PolarHBondContact O-N 2.91Å; V373-K375 VanDerWaalsContact C-N 3.31Å; V373-K375 PolarHBondContact O-N 3.3Å; K375-Q377 VanDerWaalsContact C-N 3.35Å; K375-E378 WeakPolarHBondContact CD-OE2 3.49Å; K375-E378 WeakPolarHBondContact CE-OE2 3.44Å; K375-E378 IonicContact NZ-OE1 2.65Å; K375-E378 IonicContact NZ-OE2 2.69Å; K375-E378 PolarHBondContact NZ-OE2 3.09Å; K375-E378 PolarHBondContact O-N 2.81Å; K375-C379 PolarHBondContact O-N 2.59Å; K375-C379 PolarHBondContact O-SG 3.2Å |
| 376 | L | 82.6 | Confident | 75 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.2 | -39.4 | 177.9 | -63.9 | 177.3 | 0 | 0 | 0 | 111.9 | E265 F266 M273 D372 V373 T374 C379 L380 W529 | E265-L376 HydrophobicContact CB-CD2 4.06Å; F266-L376 HydrophobicContact CB-CD2 3.97Å; F266-L376 HydrophobicContact CD2-CD1 4.07Å; F266-L376 HydrophobicContact CD2-CD2 4.42Å; M273-L376 HydrophobicContact CE-CD1 3.96Å; M273-L376 HydrophobicContact SD-CD1 3.73Å; D372-L376 PolarHBondContact O-N 2.97Å; V373-L376 PolarHBondContact O-N 3.45Å; T374-L376 PolarHBondContact O-N 3.37Å; L376-C379 PolarHBondContact O-N 2.98Å; L376-L380 PolarHBondContact O-N 3.02Å; L376-W529 HydrophobicContact CB-CD2 4.41Å; L376-W529 HydrophobicContact CB-CE3 4.28Å; L376-W529 HydrophobicContact CB-CH2 4.29Å; L376-W529 HydrophobicContact CB-CZ2 4.42Å; L376-W529 HydrophobicContact CB-CZ3 4.22Å; L376-W529 HydrophobicContact CD1-CD2 4.22Å; L376-W529 HydrophobicContact CD1-CE3 3.51Å; L376-W529 HydrophobicContact CD1-CZ3 3.72Å |
| 377 | Q | 75.1 | Confident | 76 | Confident | 14 Ų | 14 | 40.2 Ų | 40.2 | 7% | 0.065 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.6 | -40.2 | 174.6 | -72 | -174.9 | -19.9 | 0 | 0 | 112.3 | V373 T374 K375 L380 E381 W529 | V373-Q377 WeakPolarHBondContact O-CG 3.49Å; V373-Q377 PolarHBondContact O-N 3.4Å; T374-Q377 PolarHBondContact O-N 3.29Å; K375-Q377 VanDerWaalsContact C-N 3.35Å; Q377-L380 PolarHBondContact O-N 2.9Å; Q377-E381 WeakPolarHBondContact O-CB 3.39Å; Q377-E381 WeakPolarHBondContact O-CG 3.5Å; Q377-E381 PolarHBondContact O-N 3.33Å; Q377-W529 HydrophobicContact CG-CH2 4.1Å; Q377-W529 HydrophobicContact CG-CZ2 3.64Å |
| 378 | E | 80.4 | Confident | 76.7 | Confident | 69 Ų | 69 | 35.8 Ų | 35.8 | 32% | 0.322 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -58.4 | -45.7 | 174 | -76.6 | 172 | 173.1 | 0 | 0 | 110.9 | T374 K375 L380 E381 E382 | T374-E378 HydrophobicContact CG2-CG 4.22Å; T374-E378 WeakPolarHBondContact CG2-OE1 3.47Å; T374-E378 WeakPolarHBondContact O-CB 3.45Å; T374-E378 VanDerWaalsContact O-CG 3.3Å; T374-E378 WeakPolarHBondContact O-CG 3.42Å; T374-E378 PolarHBondContact O-N 3.48Å; K375-E378 WeakPolarHBondContact CD-OE2 3.49Å; K375-E378 WeakPolarHBondContact CE-OE2 3.44Å; K375-E378 IonicContact NZ-OE1 2.65Å; K375-E378 IonicContact NZ-OE2 2.69Å; K375-E378 PolarHBondContact NZ-OE2 3.09Å; K375-E378 PolarHBondContact O-N 2.81Å; E378-L380 PolarHBondContact O-N 3.24Å; E378-E381 PolarHBondContact O-N 2.92Å; E378-E382 WeakPolarHBondContact O-CB 3.49Å; E378-E382 VanDerWaalsContact O-CG 3.3Å; E378-E382 WeakPolarHBondContact O-CG 3.19Å; E378-E382 PolarHBondContact O-N 3.28Å |
| 379 | C | 85.7 | Confident | 77.2 | Confident | 12 Ų | 12 | 37.8 Ų | 37.8 | 8% | 0.081 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.6 | -47.3 | 177.6 | -63.2 | 0 | 0 | 0 | 0 | 112 | F262 K375 L376 E382 V383 | F262-C379 HydrophobicContact CB-CB 4Å; F262-C379 HydrophobicContact CD2-CB 4.34Å; K375-C379 PolarHBondContact O-N 2.59Å; K375-C379 PolarHBondContact O-SG 3.2Å; L376-C379 PolarHBondContact O-N 2.98Å; C379-E382 PolarHBondContact O-N 3.07Å; C379-V383 WeakPolarHBondContact O-CG2 3.49Å; C379-V383 PolarHBondContact O-N 3.34Å |
| 380 | L | 85.1 | Confident | 77.3 | Confident | 16 Ų | 16 | 42.9 Ų | 42.9 | 8% | 0.084 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.2 | -38 | 178.7 | -64 | 177.7 | 0 | 0 | 0 | 112.2 | L162 F254 F262 L376 Q377 E378 M384 | L162-L380 HydrophobicContact CD1-CD2 4.4Å; F254-L380 HydrophobicContact CE1-CD2 3.62Å; F254-L380 HydrophobicContact CZ-CD2 3.49Å; F254-L380 VanDerWaalsContact CZ-CD2 3.49Å; F262-L380 HydrophobicContact CD2-CD1 4.49Å; F262-L380 HydrophobicContact CD2-CD2 3.63Å; F262-L380 HydrophobicContact CD2-CG 3.86Å; F262-L380 HydrophobicContact CE2-CD1 4.1Å; F262-L380 HydrophobicContact CE2-CD2 3.85Å; F262-L380 HydrophobicContact CE2-CG 3.98Å; F262-L380 HydrophobicContact CG-CD2 4.1Å; F262-L380 HydrophobicContact CZ-CD2 4.49Å; L376-L380 PolarHBondContact O-N 3.02Å; Q377-L380 PolarHBondContact O-N 2.9Å; E378-L380 PolarHBondContact O-N 3.24Å; L380-M384 WeakPolarHBondContact O-CG 3.27Å; L380-M384 PolarHBondContact O-N 3.23Å |
| 381 | E | 80.7 | Confident | 77.6 | Confident | 28 Ų | 28 | 42 Ų | 42 | 13% | 0.131 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.9 | -34.1 | 176.8 | -82.7 | -69 | 175.7 | 0 | 0 | 112.5 | R188 Q377 E378 M384 Q385 | R188-E381 IonicContact CZ-OE1 2.63Å; R188-E381 IonicContact NE-OE1 2.79Å; R188-E381 PolarHBondContact NE-OE1 2.84Å; R188-E381 IonicContact NH2-OE1 3.62Å; R188-E381 PolarHBondContact NH2-OE1 2.94Å; Q377-E381 WeakPolarHBondContact O-CB 3.39Å; Q377-E381 WeakPolarHBondContact O-CG 3.5Å; Q377-E381 PolarHBondContact O-N 3.33Å; E378-E381 PolarHBondContact O-N 2.92Å; E381-M384 PolarHBondContact O-N 3.21Å; E381-Q385 VanDerWaalsContact O-CB 3.28Å; E381-Q385 WeakPolarHBondContact O-CB 3.49Å; E381-Q385 WeakPolarHBondContact O-CG 3.03Å; E381-Q385 PolarHBondContact O-N 3.34Å |
| 382 | E | 83.9 | Confident | 77.3 | Confident | 91 Ų | 91 | 44.3 Ų | 44.3 | 43% | 0.425 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.6 | -46.3 | 175.5 | -78.7 | 176 | -174.5 | 0 | 0 | 111.2 | E378 C379 M384 Q385 Q386 | E378-E382 WeakPolarHBondContact O-CB 3.49Å; E378-E382 VanDerWaalsContact O-CG 3.3Å; E378-E382 WeakPolarHBondContact O-CG 3.19Å; E378-E382 PolarHBondContact O-N 3.28Å; C379-E382 PolarHBondContact O-N 3.07Å; E382-M384 VanDerWaalsContact C-N 3.3Å; E382-M384 PolarHBondContact O-N 2.85Å; E382-Q385 PolarHBondContact O-N 2.89Å; E382-Q386 WeakPolarHBondContact O-CB 3.37Å; E382-Q386 VanDerWaalsContact O-CG 3.26Å; E382-Q386 WeakPolarHBondContact O-CG 3.45Å; E382-Q386 PolarHBondContact O-N 3.41Å |
| 383 | V | 84.1 | Confident | 76.5 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.6 | -46.6 | 174.2 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | P159 L162 F254 C379 T387 | P159-V383 HydrophobicContact CB-CG1 3.94Å; L162-V383 HydrophobicContact CD1-CB 4.1Å; L162-V383 HydrophobicContact CD1-CG1 3.64Å; F254-V383 HydrophobicContact CD1-CG2 3.92Å; F254-V383 HydrophobicContact CE1-CG2 4.32Å; C379-V383 WeakPolarHBondContact O-CG2 3.49Å; C379-V383 PolarHBondContact O-N 3.34Å; V383-T387 PolarHBondContact O-N 2.82Å; V383-T387 PolarHBondContact O-OG1 2.94Å |
| 384 | M | 83.8 | Confident | 75.9 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.1 | -40 | 179.2 | -68.3 | 170.8 | 42 | 0 | 0 | 112.9 | L160 L162 V163 L380 E381 E382 T387 M388 | L160-M384 HydrophobicContact CD2-CB 4.18Å; L162-M384 HydrophobicContact CB-CG 4.4Å; L162-M384 HydrophobicContact CB-SD 4.35Å; V163-M384 HydrophobicContact CG2-CE 3.12Å; V163-M384 HydrophobicContact CG2-SD 3.44Å; V163-M384 WeakPolarHBondContact CG2-SD 3.39Å; L380-M384 WeakPolarHBondContact O-CG 3.27Å; L380-M384 PolarHBondContact O-N 3.23Å; E381-M384 PolarHBondContact O-N 3.21Å; E382-M384 VanDerWaalsContact C-N 3.3Å; E382-M384 PolarHBondContact O-N 2.85Å; M384-T387 CarbonylContact O-C 3.57Å; M384-T387 VanDerWaalsContact O-CB 3.31Å; M384-T387 WeakPolarHBondContact O-CB 3.12Å; M384-T387 PolarHBondContact O-N 3.12Å; M384-M388 HydrophobicContact CE-CE 4.21Å; M384-M388 WeakPolarHBondContact O-CG 3.47Å; M384-M388 PolarHBondContact O-N 2.94Å |
| 385 | Q | 77.9 | Confident | 74.8 | Confident | 77 Ų | 77 | 56.8 Ų | 56.8 | 36% | 0.36 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70.9 | -42 | -178 | -77.2 | 177.2 | 24.1 | 0 | 0 | 111.9 | E381 E382 T387 M388 T389 | E381-Q385 VanDerWaalsContact O-CB 3.28Å; E381-Q385 WeakPolarHBondContact O-CB 3.49Å; E381-Q385 WeakPolarHBondContact O-CG 3.03Å; E381-Q385 PolarHBondContact O-N 3.34Å; E382-Q385 PolarHBondContact O-N 2.89Å; Q385-T387 PolarHBondContact O-N 3.31Å; Q385-M388 PolarHBondContact O-N 3.49Å; Q385-M388 VanDerWaalsContact O-N 3.09Å; Q385-T389 WeakPolarHBondContact O-CG2 3.41Å; Q385-T389 PolarHBondContact O-N 3.02Å |
| 386 | Q | 78 | Confident | 73.2 | Confident | 107 Ų | 107 | 55.9 Ų | 55.9 | 50% | 0.5 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -53.3 | -44.6 | 170.9 | -73 | 176.3 | 9.3 | 0 | 0 | 109.9 | E382 T389 R390 | E382-Q386 WeakPolarHBondContact O-CB 3.37Å; E382-Q386 VanDerWaalsContact O-CG 3.26Å; E382-Q386 WeakPolarHBondContact O-CG 3.45Å; E382-Q386 PolarHBondContact O-N 3.41Å; Q386-T389 PolarHBondContact O-N 3.48Å; Q386-T389 PolarHBondContact O-OG1 2.9Å; Q386-R390 WeakPolarHBondContact O-CG 3.42Å; Q386-R390 PolarHBondContact O-N 2.99Å |
| 387 | T | 78.8 | Confident | 70.7 | Confident | 4 Ų | 4 | 62 Ų | 62 | 3% | 0.025 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.8 | -45 | 175.6 | -57.3 | 0 | 0 | 0 | 0 | 112.6 | L156 P159 L160 V383 M384 Q385 T389 R390 V391 | L156-T387 WeakPolarHBondContact O-CG2 3.48Å; P159-T387 HydrophobicContact CB-CG2 4.04Å; P159-T387 WeakPolarHBondContact CB-OG1 3.45Å; P159-T387 HydrophobicContact CG-CG2 3.91Å; P159-T387 WeakPolarHBondContact CG-OG1 3.33Å; L160-T387 HydrophobicContact CD2-CG2 4.2Å; L160-T387 HydrophobicContact CG-CG2 4.11Å; V383-T387 PolarHBondContact O-N 2.82Å; V383-T387 PolarHBondContact O-OG1 2.94Å; M384-T387 CarbonylContact O-C 3.57Å; M384-T387 VanDerWaalsContact O-CB 3.31Å; M384-T387 WeakPolarHBondContact O-CB 3.12Å; M384-T387 PolarHBondContact O-N 3.12Å; Q385-T387 PolarHBondContact O-N 3.31Å; T387-T389 VanDerWaalsContact C-N 3.31Å; T387-T389 PolarHBondContact O-N 3.17Å; T387-R390 CarbonylContact O-C 3.51Å; T387-R390 WeakPolarHBondContact O-CB 3.4Å; T387-R390 PolarHBondContact O-N 3.13Å; T387-R390 VanDerWaalsContact O-N 3.14Å; T387-V391 HydrophobicContact CG2-CG2 4.16Å; T387-V391 WeakPolarHBondContact O-CB 3.45Å; T387-V391 VanDerWaalsContact O-CG2 3.22Å; T387-V391 WeakPolarHBondContact O-CG2 3.4Å; T387-V391 PolarHBondContact O-N 3.02Å |
| 388 | M | 72.4 | Confident | 68.8 | Low | 31 Ų | 31 | 65.2 Ų | 65.2 | 15% | 0.153 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.8 | -42 | 176.8 | -71.1 | -173.8 | -167.5 | 0 | 0 | 111.9 | L160 K195 M384 Q385 R390 V391 E392 | L160-M388 HydrophobicContact CD2-CE 3.74Å; L160-M388 HydrophobicContact CD2-CG 3.73Å; K195-M388 HydrophobicContact CD-CE 3.93Å; K195-M388 HydrophobicContact CD-SD 4.1Å; K195-M388 PolarHBondContact NZ-SD 2.68Å; M384-M388 HydrophobicContact CE-CE 4.21Å; M384-M388 WeakPolarHBondContact O-CG 3.47Å; M384-M388 PolarHBondContact O-N 2.94Å; Q385-M388 PolarHBondContact O-N 3.49Å; Q385-M388 VanDerWaalsContact O-N 3.09Å; M388-R390 PolarHBondContact O-N 3.29Å; M388-V391 PolarHBondContact O-N 3.35Å; M388-E392 WeakPolarHBondContact O-CG 3.4Å; M388-E392 PolarHBondContact O-N 3.49Å |
| 389 | T | 73.3 | Confident | 66.3 | Low | 82 Ų | 82 | 68.8 Ų | 68.8 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 176.3 | 64.2 | 0 | 0 | 0 | 0 | 112.2 | Q385 Q386 T387 T393 | Q385-T389 WeakPolarHBondContact O-CG2 3.41Å; Q385-T389 PolarHBondContact O-N 3.02Å; Q386-T389 PolarHBondContact O-N 3.48Å; Q386-T389 PolarHBondContact O-OG1 2.9Å; T387-T389 VanDerWaalsContact C-N 3.31Å; T387-T389 PolarHBondContact O-N 3.17Å; T389-T393 WeakPolarHBondContact O-CB 3.5Å; T389-T393 VanDerWaalsContact O-CG2 3.31Å; T389-T393 WeakPolarHBondContact O-CG2 3.45Å; T389-T393 PolarHBondContact O-N 2.76Å; T389-T393 PolarHBondContact O-OG1 3.33Å |
| 390 | R | 70.3 | Confident | 63.8 | Low | 111 Ų | 111 | 73.6 Ų | 73.6 | 42% | 0.419 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 172.9 | -70.2 | 169.3 | 73.1 | 163 | 2.8 | 110.8 | L156 D256 Q386 T387 M388 T393 S394 | L156-R390 HydrophobicContact CD1-CB 4.13Å; D256-R390 IonicContact OD2-NH1 3.46Å; Q386-R390 WeakPolarHBondContact O-CG 3.42Å; Q386-R390 PolarHBondContact O-N 2.99Å; T387-R390 CarbonylContact O-C 3.51Å; T387-R390 WeakPolarHBondContact O-CB 3.4Å; T387-R390 PolarHBondContact O-N 3.13Å; T387-R390 VanDerWaalsContact O-N 3.14Å; M388-R390 PolarHBondContact O-N 3.29Å; R390-T393 PolarHBondContact O-N 3.07Å; R390-T393 PolarHBondContact O-OG1 2.91Å; R390-T393 VanDerWaalsContact O-OG1 3.12Å; R390-S394 WeakPolarHBondContact O-CB 3.2Å; R390-S394 PolarHBondContact O-N 3.36Å; R390-S394 PolarHBondContact O-OG 2.81Å |
| 391 | V | 67.1 | Low | 61.3 | Low | 22 Ų | 22 | 76.3 Ų | 76.3 | 13% | 0.133 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65 | -39.6 | -179.6 | 169.6 | 0 | 0 | 0 | 0 | 112.7 | L156 I157 K199 T387 M388 | L156-V391 HydrophobicContact CD1-CG2 4.3Å; L156-V391 HydrophobicContact CD2-CG2 4.07Å; L156-V391 HydrophobicContact CG-CG2 3.79Å; I157-V391 HydrophobicContact CG2-CG2 4.16Å; K199-V391 HydrophobicContact CB-CG1 4.4Å; K199-V391 HydrophobicContact CD-CG1 3.76Å; K199-V391 HydrophobicContact CG-CG1 3.96Å; K199-V391 PolarHBondContact NZ-O 3.3Å; T387-V391 HydrophobicContact CG2-CG2 4.16Å; T387-V391 WeakPolarHBondContact O-CB 3.45Å; T387-V391 VanDerWaalsContact O-CG2 3.22Å; T387-V391 WeakPolarHBondContact O-CG2 3.4Å; T387-V391 PolarHBondContact O-N 3.02Å; M388-V391 PolarHBondContact O-N 3.35Å |
| 392 | E | 64.6 | Low | 58.8 | Low | 156 Ų | 156 | 80.4 Ų | 80.4 | 73% | 0.729 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -72.2 | -31.9 | 178.6 | -74.5 | -179.9 | 174.7 | 0 | 0 | 112.8 | M388 | M388-E392 WeakPolarHBondContact O-CG 3.4Å; M388-E392 PolarHBondContact O-N 3.49Å |
| 393 | T | 59.9 | Low | 55.9 | Low | 114 Ų | 114 | 79.1 Ų | 79.1 | 70% | 0.699 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -88.7 | -24.9 | -178.3 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | T389 R390 N395 | T389-T393 WeakPolarHBondContact O-CB 3.5Å; T389-T393 VanDerWaalsContact O-CG2 3.31Å; T389-T393 WeakPolarHBondContact O-CG2 3.45Å; T389-T393 PolarHBondContact O-N 2.76Å; T389-T393 PolarHBondContact O-OG1 3.33Å; R390-T393 PolarHBondContact O-N 3.07Å; R390-T393 PolarHBondContact O-OG1 2.91Å; R390-T393 VanDerWaalsContact O-OG1 3.12Å; T393-N395 PolarHBondContact O-N 2.66Å |
| 394 | S | 56.8 | Low | 53.4 | Low | 33 Ų | 33 | 88.5 Ų | 88.5 | 23% | 0.231 | 51% | 0.509 | C | S | . | . | trans | -84.2 | 98.8 | 176.9 | 47.5 | 0 | 0 | 0 | 0 | 110.8 | L156 K199 R390 I396 | L156-S394 WeakPolarHBondContact CD2-OG 3.28Å; K199-S394 PolarHBondContact NZ-O 3.03Å; R390-S394 WeakPolarHBondContact O-CB 3.2Å; R390-S394 PolarHBondContact O-N 3.36Å; R390-S394 PolarHBondContact O-OG 2.81Å; S394-I396 PolarHBondContact O-N 2.93Å | ||
| 395 | N | 48 | Very low | 50.7 | Low | 144 Ų | 144 | 93.7 Ų | 93.7 | 77% | 0.77 | 54% | 0.54 | S | S | * | . | trans | -65.9 | 122.9 | 147.4 | -67.7 | -35.3 | 0 | 0 | 0 | 105.5 | T393 D397 | T393-N395 PolarHBondContact O-N 2.66Å; N395-D397 PolarHBondContact O-N 3.09Å | ||
| 396 | I | 48.3 | Very low | 48.1 | Very low | 55 Ų | 55 | 95.1 Ų | 95.1 | 28% | 0.282 | 55% | 0.554 | S | S | . | * | trans | -73.7 | 68.5 | 169.4 | -56.5 | -177.3 | 0 | 0 | 0 | 105.9 | V149 A153 S394 | V149-I396 HydrophobicContact CG1-CG2 4.42Å; A153-I396 HydrophobicContact CB-CD1 4Å; S394-I396 PolarHBondContact O-N 2.93Å | ||
| 397 | D | 30.6 | Very low | 45.7 | Very low | 128 Ų | 128 | 95.1 Ų | 95.1 | 68% | 0.684 | 57% | 0.565 | S | S | * | * | trans | -93.8 | 109.9 | 167.7 | -159.5 | 27.3 | 0 | 0 | 0 | 105.1 | N395 V399 | N395-D397 PolarHBondContact O-N 3.09Å; D397-V399 PolarHBondContact O-N 3.26Å; D397-V399 VanDerWaalsContact O-N 3.1Å | ||
| 398 | V | 34.9 | Very low | 43.1 | Very low | 81 Ų | 81 | 104 Ų | 104 | 49% | 0.491 | 60% | 0.603 | S | S | . | * | trans | -62.2 | 109.4 | -169.2 | 173.5 | 0 | 0 | 0 | 0 | 109.7 | V149 L400 | V149-V398 HydrophobicContact CG2-CG2 4.23Å; V398-L400 HydrophobicContact CG1-CB 3.87Å; V398-L400 HydrophobicContact CG1-CD1 4.05Å; V398-L400 HydrophobicContact CG1-CG 4.44Å | ||
| 399 | V | 27.5 | Very low | 41.2 | Very low | 145 Ų | 145 | 110.3 Ų | 110.3 | 88% | 0.879 | 64% | 0.636 | S | S | * | * | trans | -94.7 | 84.1 | 156 | 178.8 | 0 | 0 | 0 | 0 | 107.1 | D397 | D397-V399 PolarHBondContact O-N 3.26Å; D397-V399 VanDerWaalsContact O-N 3.1Å | ||
| 400 | L | 34.5 | Very low | 38.8 | Very low | 113 Ų | 113 | 109.2 Ų | 109.2 | 59% | 0.592 | 64% | 0.642 | S | S | * | * | trans | -107.8 | 114.7 | 154.9 | -99 | 143.5 | 0 | 0 | 0 | 106.1 | V398 A402 | V398-L400 HydrophobicContact CG1-CB 3.87Å; V398-L400 HydrophobicContact CG1-CD1 4.05Å; V398-L400 HydrophobicContact CG1-CG 4.44Å; L400-A402 PolarHBondContact O-N 3.36Å | ||
| 401 | G | 30.8 | Very low | 37.1 | Very low | 72 Ų | 72 | 110.6 Ų | 110.6 | 74% | 0.742 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | 135.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 402 | A | 28.5 | Very low | 35.3 | Very low | 115 Ų | 115 | 115.2 Ų | 115.2 | 95% | 0.95 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64 | 55.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | L400 | L400-A402 PolarHBondContact O-N 3.36Š|
| 403 | G | 24.5 | Very low | 33.7 | Very low | 63 Ų | 63 | 111.2 Ų | 111.2 | 65% | 0.649 | 69% | 0.691 | S | S | * | * | trans | -168.7 | 115 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | V405 | G403-V405 PolarHBondContact O-N 3.3Š| ||
| 404 | K | 31.8 | Very low | 32.5 | Very low | 203 Ų | 203 | 115.1 Ų | 115.1 | 88% | 0.883 | 70% | 0.698 | S | S | * | * | trans | -72.7 | 95.2 | -167.6 | -170.8 | -177 | -174.4 | -179.3 | 0 | 111.9 | ||||
| 405 | V | 25.5 | Very low | 31.2 | Very low | 111 Ų | 111 | 118.5 Ų | 118.5 | 67% | 0.673 | 72% | 0.722 | S | S | * | * | trans | -126.3 | 92.1 | 155.3 | -170 | 0 | 0 | 0 | 0 | 109 | G403 C407 | G403-V405 PolarHBondContact O-N 3.3Å; V405-C407 PolarHBondContact O-N 3.43Å | ||
| 406 | V | 24.2 | Very low | 30.6 | Very low | 108 Ų | 108 | 118.1 Ų | 118.1 | 66% | 0.655 | 72% | 0.719 | S | S | * | * | trans | -70.9 | 108.4 | 163.5 | 173 | 0 | 0 | 0 | 0 | 105.9 | K408 | V406-K408 PolarHBondContact O-N 2.81Š| ||
| 407 | C | 26.7 | Very low | 29.5 | Very low | 106 Ų | 106 | 122.8 Ų | 122.8 | 72% | 0.716 | 74% | 0.744 | S | S | * | * | trans | -59.5 | 100.3 | 154 | -83.3 | 0 | 0 | 0 | 0 | 105.2 | V405 L409 | V405-C407 PolarHBondContact O-N 3.43Å; C407-L409 PolarHBondContact O-N 3.09Å | ||
| 408 | K | 24.6 | Very low | 29.5 | Very low | 191 Ų | 191 | 121.8 Ų | 121.8 | 83% | 0.83 | 75% | 0.747 | S | S | * | * | trans | -52.2 | 115.9 | 176 | -84.5 | 179.5 | 178.5 | 172.4 | 0 | 106.1 | V406 G410 | V406-K408 PolarHBondContact O-N 2.81Å; K408-G410 PolarHBondContact O-N 3.47Å | ||
| 409 | L | 31.6 | Very low | 29.4 | Very low | 163 Ų | 163 | 124.7 Ų | 124.7 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | -59.8 | 77.4 | 162.5 | -123.9 | 124.4 | 0 | 0 | 0 | 106.9 | C407 T411 | C407-L409 PolarHBondContact O-N 3.09Å; L409-T411 PolarHBondContact O-N 3.25Å; L409-T411 VanDerWaalsContact O-N 3.14Å | ||
| 410 | G | 23.4 | Very low | 29.6 | Very low | 60 Ų | 60 | 123.5 Ų | 123.5 | 62% | 0.619 | 75% | 0.751 | S | S | * | * | trans | -67 | 108.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | K408 V412 | K408-G410 PolarHBondContact O-N 3.47Å; G410-V412 PolarHBondContact O-N 3.24Å | ||
| 411 | T | 34 | Very low | 29.5 | Very low | 139 Ų | 139 | 123.9 Ų | 123.9 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | trans | -55.7 | 87.3 | 170.4 | -42.1 | 0 | 0 | 0 | 0 | 109.7 | L409 | L409-T411 PolarHBondContact O-N 3.25Å; L409-T411 VanDerWaalsContact O-N 3.14Å | ||
| 412 | V | 29.9 | Very low | 29.4 | Very low | 119 Ų | 119 | 129 Ų | 129 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | trans | -134 | 66.2 | 156.8 | -171.3 | 0 | 0 | 0 | 0 | 107.1 | G410 K414 | G410-V412 PolarHBondContact O-N 3.24Å; V412-K414 VanDerWaalsContact C-N 3.32Å; V412-K414 PolarHBondContact O-N 2.87Å; V412-K414 VanDerWaalsContact O-N 3.12Å | ||
| 413 | G | 31 | Very low | 29.3 | Very low | 72 Ų | 72 | 128.3 Ų | 128.3 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | trans | -67.2 | 98.9 | 149.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 414 | K | 36 | Very low | 29.6 | Very low | 196 Ų | 196 | 129 Ų | 129 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | trans | 172.4 | 82.3 | 156.5 | -97.6 | 166.1 | -175.1 | -175.5 | 0 | 111.4 | V412 | V412-K414 VanDerWaalsContact C-N 3.32Å; V412-K414 PolarHBondContact O-N 2.87Å; V412-K414 VanDerWaalsContact O-N 3.12Å | ||
| 415 | S | 27.8 | Very low | 29.4 | Very low | 104 Ų | 104 | 123.9 Ų | 123.9 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 174.2 | 92.2 | 156 | 48.6 | 0 | 0 | 0 | 0 | 104.5 | ||
| 416 | I | 35.7 | Very low | 29.4 | Very low | 136 Ų | 136 | 123 Ų | 123 | 70% | 0.697 | 75% | 0.752 | S | S | * | * | S | Bend | -152.5 | 98.2 | 68.1 | -68.3 | 145.5 | 0 | 0 | 0 | 106.1 | |||
| 417 | D | 27 | Very low | 29.7 | Very low | 153 Ų | 153 | 126.8 Ų | 126.8 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -121.2 | 45.7 | 168.3 | -149 | 21.1 | 0 | 0 | 0 | 108.5 | ||||
| 418 | S | 28.6 | Very low | 29.6 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | -137.6 | 49.9 | -175.9 | -62 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 419 | I | 34.6 | Very low | 29.6 | Very low | 142 Ų | 142 | 128.6 Ų | 128.6 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -138.3 | 41.7 | 152.4 | -44.8 | 178.9 | 0 | 0 | 0 | 109.4 | ||
| 420 | V | 31 | Very low | 29.4 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -137.1 | 84.2 | 156.1 | 179 | 0 | 0 | 0 | 0 | 105.9 | ||
| 421 | D | 31.8 | Very low | 29.5 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 65% | 0.647 | 78% | 0.778 | S | S | * | * | trans | 164.4 | 48.6 | 150.5 | -88.5 | -23 | 0 | 0 | 0 | 111.5 | A423 | D421-A423 VanDerWaalsContact C-N 3.32Š| ||
| 422 | L | 28.2 | Very low | 29.1 | Very low | 179 Ų | 179 | 135.4 Ų | 135.4 | 94% | 0.937 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -102.6 | 43.1 | 159 | -158.1 | 71.5 | 0 | 0 | 0 | 110.6 | ||
| 423 | A | 27.8 | Very low | 28.7 | Very low | 101 Ų | 101 | 138.3 Ų | 138.3 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -136.7 | 5.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D421 | D421-A423 VanDerWaalsContact C-N 3.32Š|
| 424 | S | 31.1 | Very low | 28.3 | Very low | 78 Ų | 78 | 140.8 Ų | 140.8 | 55% | 0.545 | 78% | 0.784 | S | S | . | * | S | Bend | trans | -130.1 | 10.8 | -176.9 | 54.4 | 0 | 0 | 0 | 0 | 115.3 | ||
| 425 | A | 26.4 | Very low | 27.7 | Very low | 95 Ų | 95 | 137.4 Ų | 137.4 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -101.8 | 31.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 426 | A | 27.1 | Very low | 27.5 | Very low | 92 Ų | 92 | 136.5 Ų | 136.5 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -113.5 | 59.6 | 167 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 427 | K | 29.3 | Very low | 27 | Very low | 189 Ų | 189 | 135.6 Ų | 135.6 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 171.5 | 104.1 | 154.1 | -101.4 | 164.5 | -176.5 | 177.2 | 0 | 108.4 | ||
| 428 | L | 24.5 | Very low | 26.9 | Very low | 165 Ų | 165 | 133.4 Ų | 133.4 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | 169.6 | 86.1 | 139.4 | -94.4 | 149.1 | 0 | 0 | 0 | 109.6 | ||||
| 429 | L | 23.9 | Very low | 26.6 | Very low | 169 Ų | 169 | 132 Ų | 132 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | trans | -131.1 | 95.3 | 149.6 | -82.6 | 177.1 | 0 | 0 | 0 | 107.3 | ||||
| 430 | K | 27.9 | Very low | 26.1 | Very low | 196 Ų | 196 | 134.8 Ų | 134.8 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | 165.8 | 139.5 | 116.1 | -87.4 | -179.1 | -179.7 | -178 | 0 | 111.1 | |||||
| 431 | T | 25.7 | Very low | 25.9 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | trans | -77.2 | 157 | -173.7 | 16.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 432 | E | 25.5 | Very low | 25.5 | Very low | 180 Ų | 180 | 133.4 Ų | 133.4 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | trans | 67.7 | 105.9 | 156.7 | -71.3 | -178.9 | 150.2 | 0 | 0 | 119.8 | ||||
| 433 | E | 22.1 | Very low | 25.4 | Very low | 179 Ų | 179 | 129.3 Ų | 129.3 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | 178.3 | 126 | 98.3 | -94.1 | -168.1 | 140.6 | 0 | 0 | 111.9 | |||||
| 434 | V | 21.8 | Very low | 25.5 | Very low | 125 Ų | 125 | 132 Ų | 132 | 76% | 0.758 | 79% | 0.788 | S | S | * | * | trans | 54.1 | 133.8 | 132.9 | -160.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 435 | V | 23.3 | Very low | 25.3 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 76% | 0.758 | 80% | 0.8 | S | S | * | * | trans | 107 | 94.6 | 150.8 | -164.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 436 | A | 24.7 | Very low | 25.1 | Very low | 85 Ų | 85 | 135.2 Ų | 135.2 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | 48.8 | 140.5 | 123.6 | 0 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 437 | S | 25.4 | Very low | 25 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | 85.9 | 113.9 | 149 | 80.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 438 | A | 23.5 | Very low | 24.7 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 88% | 0.884 | 80% | 0.803 | S | S | * | * | 108 | 137 | 87.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 439 | G | 22.3 | Very low | 24.7 | Very low | 77 Ų | 77 | 137.1 Ų | 137.1 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | cis | -172.5 | 160.4 | 3.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 440 | K | 25.4 | Very low | 24.8 | Very low | 201 Ų | 201 | 140 Ų | 140 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -31.7 | 162.1 | 171.2 | -147.3 | 175.2 | -173.6 | -179.2 | 0 | 119 | ||||
| 441 | V | 25.4 | Very low | 24.8 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | 137.5 | 110.2 | 139.3 | 172.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 442 | A | 24.4 | Very low | 24.6 | Very low | 85 Ų | 85 | 137.7 Ų | 137.7 | 70% | 0.702 | 81% | 0.806 | S | S | * | * | 77.8 | 103.1 | 52.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 443 | A | 25.9 | Very low | 24.9 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | 60.1 | 145.7 | 136.5 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 444 | Q | 30.1 | Very low | 24.9 | Very low | 157 Ų | 157 | 135.9 Ų | 135.9 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | 103 | 129.6 | 143 | -90.3 | 176.6 | -70.5 | 0 | 0 | 122.6 | ||||
| 445 | E | 25.7 | Very low | 25 | Very low | 172 Ų | 172 | 137.7 Ų | 137.7 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 71 | 143.6 | 140.2 | -68.9 | 174.6 | -176.7 | 0 | 0 | 119.4 | ||||
| 446 | G | 22.2 | Very low | 25.1 | Very low | 70 Ų | 70 | 135.7 Ų | 135.7 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | cis | 129.5 | 112.5 | 11.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 447 | K | 25.4 | Very low | 25.3 | Very low | 216 Ų | 216 | 137.4 Ų | 137.4 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | trans | 88.6 | 145.4 | 158.3 | -74.7 | -178.4 | 175.4 | 174.8 | 0 | 123.4 | ||||
| 448 | A | 23.8 | Very low | 25.5 | Very low | 94 Ų | 94 | 139.2 Ų | 139.2 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | trans | 93.8 | 127.8 | 157.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 449 | L | 25 | Very low | 25.7 | Very low | 176 Ų | 176 | 141.4 Ų | 141.4 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | cis | -154 | 159.8 | 44.7 | -89.2 | 160.1 | 0 | 0 | 0 | 113.3 | ||||
| 450 | R | 26.2 | Very low | 25.9 | Very low | 230 Ų | 230 | 143.2 Ų | 143.2 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | -123 | 129.5 | 179.1 | -165.4 | -177 | -165.7 | 154.7 | 3.4 | 108.6 | ||||
| 451 | S | 27.8 | Very low | 25.9 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -160.4 | 126.3 | 157.5 | 54 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 452 | L | 21.3 | Very low | 26.2 | Very low | 151 Ų | 151 | 141.5 Ų | 141.5 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -87.2 | -172.9 | -177.4 | -81.8 | 162.7 | 0 | 0 | 0 | 112.2 | ||||
| 453 | P | 30.6 | Very low | 26.4 | Very low | 100 Ų | 100 | 139.5 Ų | 139.5 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | cis | -142.8 | 173.4 | -35.8 | 34.3 | -13.9 | 0 | 0 | 0 | 116.8 | ||||
| 454 | R | 23.5 | Very low | 26.7 | Very low | 222 Ų | 222 | 144.6 Ų | 144.6 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | 118.1 | 125.2 | 139.6 | -73.7 | -169.6 | 179 | 179.4 | -0 | 120.2 | ||||
| 455 | L | 24.2 | Very low | 26.5 | Very low | 163 Ų | 163 | 142.2 Ų | 142.2 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | 63.1 | 144.5 | 155 | -89 | 81.5 | 0 | 0 | 0 | 117.1 | ||||
| 456 | A | 24.2 | Very low | 26.7 | Very low | 82 Ų | 82 | 138.8 Ų | 138.8 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | cis | -171.4 | 143.7 | -4.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 457 | S | 28.7 | Very low | 27.1 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | 151.5 | 134.3 | 142.7 | 63.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 458 | D | 30.4 | Very low | 27.2 | Very low | 154 Ų | 154 | 141.4 Ų | 141.4 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -46.4 | 139 | 178.1 | -62.9 | -60.3 | 0 | 0 | 0 | 115.5 | ||||
| 459 | I | 27.3 | Very low | 27.3 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | -177.5 | 118.2 | 129.9 | -82 | 145.3 | 0 | 0 | 0 | 105 | D461 | I459-D461 PolarHBondContact O-N 3.5Š| |||
| 460 | P | 25.6 | Very low | 27.4 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | trans | -71 | 113.7 | 165.7 | 26.9 | -27.4 | 0 | 0 | 0 | 108.3 | V462 | P460-V462 PolarHBondContact O-N 3.45Š| ||
| 461 | D | 26.3 | Very low | 27.5 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | trans | -56.2 | 92.6 | 170.3 | -163.3 | 1.7 | 0 | 0 | 0 | 109.7 | I459 G463 | I459-D461 PolarHBondContact O-N 3.5Å; D461-G463 PolarHBondContact O-N 3.07Å | ||
| 462 | V | 31.4 | Very low | 27.5 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -77.2 | 71.4 | 170 | 178.7 | 0 | 0 | 0 | 0 | 107.1 | P460 | P460-V462 PolarHBondContact O-N 3.45Š| ||
| 463 | G | 29.3 | Very low | 27.8 | Very low | 44 Ų | 44 | 129.6 Ų | 129.6 | 45% | 0.454 | 79% | 0.792 | S | S | . | * | S | Bend | trans | -153.6 | 23.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D461 | D461-G463 PolarHBondContact O-N 3.07Š|
| 464 | Q | 31.5 | Very low | 27.7 | Very low | 199 Ų | 199 | 128.8 Ų | 128.8 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -165.9 | 28.9 | 172.4 | -120.6 | 168.4 | 70.9 | 0 | 0 | 117.6 | ||
| 465 | A | 27.3 | Very low | 28.1 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -111.5 | 7.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 466 | A | 29.1 | Very low | 28.5 | Very low | 101 Ų | 101 | 124.9 Ų | 124.9 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -101.7 | 0.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 467 | V | 30.8 | Very low | 28.7 | Very low | 133 Ų | 133 | 123.7 Ų | 123.7 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -122.4 | 2.3 | -166.9 | -176.1 | 0 | 0 | 0 | 0 | 115.4 | ||
| 468 | K | 28.2 | Very low | 28.9 | Very low | 208 Ų | 208 | 125.6 Ų | 125.6 | 90% | 0.904 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -129.8 | 23.8 | -175.7 | -76 | -170.7 | 176.4 | 178.5 | 0 | 117.4 | ||
| 469 | G | 25 | Very low | 29 | Very low | 83 Ų | 83 | 121.6 Ų | 121.6 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -103 | -10.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 470 | S | 27.1 | Very low | 29.1 | Very low | 91 Ų | 91 | 116 Ų | 116 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -117.7 | 16.4 | -166.2 | 59.7 | 0 | 0 | 0 | 0 | 115.8 | ||
| 471 | L | 28.8 | Very low | 29.3 | Very low | 160 Ų | 160 | 116.6 Ų | 116.6 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -101.4 | 16.3 | -170.7 | -140.6 | 86.7 | 0 | 0 | 0 | 116.1 | ||
| 472 | A | 28.2 | Very low | 29.9 | Very low | 107 Ų | 107 | 113.9 Ų | 113.9 | 88% | 0.884 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -145.4 | 33.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 473 | A | 25.6 | Very low | 30.1 | Very low | 87 Ų | 87 | 107.1 Ų | 107.1 | 72% | 0.719 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -121.8 | 139.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 474 | S | 29.6 | Very low | 30.5 | Very low | 82 Ų | 82 | 105.8 Ų | 105.8 | 57% | 0.573 | 65% | 0.654 | S | S | * | * | trans | -55.2 | 150 | -165.8 | 50.6 | 0 | 0 | 0 | 0 | 114.6 | S476 A477 | S474-S476 PolarHBondContact O-N 3.1Å; S474-A477 PolarHBondContact O-N 3.04Å; S474-A477 VanDerWaalsContact O-N 3.07Å | ||
| 475 | K | 32.4 | Very low | 30.7 | Very low | 209 Ų | 209 | 100.9 Ų | 100.9 | 91% | 0.909 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | -15.6 | -175.8 | -70 | -179.3 | 176.2 | -178.9 | 0 | 115.6 | ||
| 476 | S | 32.5 | Very low | 31.3 | Very low | 94 Ų | 94 | 96.2 Ų | 96.2 | 66% | 0.657 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -18.1 | 178 | 50.6 | 0 | 0 | 0 | 0 | 114.8 | S474 | S474-S476 PolarHBondContact O-N 3.1Š|
| 477 | A | 27.9 | Very low | 32 | Very low | 58 Ų | 58 | 91.5 Ų | 91.5 | 48% | 0.479 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -86.8 | -3.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S474 | S474-A477 PolarHBondContact O-N 3.04Å; S474-A477 VanDerWaalsContact O-N 3.07Å |
| 478 | R | 33.5 | Very low | 32.8 | Very low | 161 Ų | 161 | 86.1 Ų | 86.1 | 61% | 0.608 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -25.7 | 179.6 | -97 | -177.4 | -174.1 | 165.3 | 3.2 | 114.1 | I482 | R478-I482 HydrophobicContact CB-CD1 4.43Å; R478-I482 WeakPolarHBondContact O-CD1 3.45Å; R478-I482 WeakPolarHBondContact O-CG1 3.23Å |
| 479 | A | 32 | Very low | 33.4 | Very low | 70 Ų | 70 | 81.9 Ų | 81.9 | 58% | 0.579 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -38.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 480 | G | 28.9 | Very low | 34 | Very low | 37 Ų | 37 | 78.8 Ų | 78.8 | 38% | 0.381 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -32.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 481 | L | 29.9 | Very low | 34.8 | Very low | 126 Ų | 126 | 76.8 Ų | 76.8 | 66% | 0.66 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -8.6 | -177.3 | -76.3 | 166.3 | 0 | 0 | 0 | 114.3 | ||
| 482 | I | 38.1 | Very low | 35.1 | Very low | 86 Ų | 86 | 75.4 Ų | 75.4 | 44% | 0.441 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -85.7 | -29.6 | -176.2 | -66.6 | 173.7 | 0 | 0 | 0 | 111.8 | R478 N485 A486 | R478-I482 HydrophobicContact CB-CD1 4.43Å; R478-I482 WeakPolarHBondContact O-CD1 3.45Å; R478-I482 WeakPolarHBondContact O-CG1 3.23Å; I482-N485 PolarHBondContact O-N 3.49Å; I482-A486 PolarHBondContact O-N 2.69Å |
| 483 | A | 37.4 | Very low | 35.3 | Very low | 8 Ų | 8 | 73.4 Ų | 73.4 | 7% | 0.066 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -68.6 | -39.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | H184 A486 L487 | H184-A483 WeakPolarHBondContact NE2-CA 3.12Å; A483-A486 PolarHBondContact O-N 3.2Å; A483-L487 PolarHBondContact O-N 3.03Å |
| 484 | V | 36.8 | Very low | 35.6 | Very low | 16 Ų | 16 | 73.1 Ų | 73.1 | 10% | 0.097 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.5 | -46.9 | 174.7 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | M370 T374 A486 L487 F488 | M370-V484 HydrophobicContact CE-CG1 4.19Å; T374-V484 HydrophobicContact CG2-CG2 3.97Å; T374-V484 WeakPolarHBondContact OG1-CG1 3.16Å; V484-A486 VanDerWaalsContact C-N 3.3Å; V484-A486 PolarHBondContact O-N 3.1Å; V484-L487 PolarHBondContact O-N 3.27Å; V484-L487 VanDerWaalsContact O-N 3.13Å; V484-F488 HydrophobicContact CG1-CD2 3.85Å; V484-F488 HydrophobicContact CG1-CE2 3.84Å; V484-F488 WeakPolarHBondContact O-CD2 3.35Å; V484-F488 PolarHBondContact O-N 3.08Å |
| 485 | N | 36.6 | Very low | 35.9 | Very low | 96 Ų | 96 | 72.2 Ų | 72.2 | 51% | 0.513 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.6 | -40.1 | 179.2 | -85.4 | -23.9 | 0 | 0 | 0 | 112 | I482 L487 F488 L489 | I482-N485 PolarHBondContact O-N 3.49Å; N485-L487 PolarHBondContact O-N 3.42Å; N485-F488 CarbonylContact O-C 3.6Å; N485-F488 PolarHBondContact O-N 2.82Å; N485-L489 HydrophobicContact CB-CD1 4.12Å; N485-L489 HydrophobicContact CB-CG 4.37Å; N485-L489 WeakPolarHBondContact O-CA 3.34Å; N485-L489 WeakPolarHBondContact O-CB 3.38Å; N485-L489 WeakPolarHBondContact O-CD1 3.46Å; N485-L489 WeakPolarHBondContact O-CG 3.4Å; N485-L489 PolarHBondContact O-N 3.02Å |
| 486 | A | 38.4 | Very low | 36.1 | Very low | 8 Ų | 8 | 63.9 Ų | 63.9 | 7% | 0.066 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.5 | -36.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | H184 I482 A483 V484 F488 | H184-A486 HydrophobicContact CB-CB 3.6Å; H184-A486 WeakPolarHBondContact CD2-CB 3.46Å; I482-A486 PolarHBondContact O-N 2.69Å; A483-A486 PolarHBondContact O-N 3.2Å; V484-A486 VanDerWaalsContact C-N 3.3Å; V484-A486 PolarHBondContact O-N 3.1Å; A486-F488 PolarHBondContact O-N 3.12Å |
| 487 | L | 44 | Very low | 36 | Very low | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.5 | -17.9 | 173.6 | -103.6 | 85.4 | 0 | 0 | 0 | 113.2 | V181 Q185 A483 V484 N485 R518 W522 | V181-L487 HydrophobicContact CG1-CB 4.5Å; V181-L487 HydrophobicContact CG1-CD1 3.54Å; V181-L487 HydrophobicContact CG1-CD2 4.36Å; V181-L487 HydrophobicContact CG1-CG 3.5Å; Q185-L487 VanDerWaalsContact NE2-CD1 3.27Å; A483-L487 PolarHBondContact O-N 3.03Å; V484-L487 PolarHBondContact O-N 3.27Å; V484-L487 VanDerWaalsContact O-N 3.13Å; N485-L487 PolarHBondContact O-N 3.42Å; L487-R518 PolarHBondContact O-NH1 3.07Å; L487-W522 HydrophobicContact CB-CH2 3.75Å; L487-W522 HydrophobicContact CB-CZ2 3.76Å; L487-W522 HydrophobicContact CD2-CD2 4.35Å; L487-W522 HydrophobicContact CD2-CE3 3.96Å; L487-W522 HydrophobicContact CD2-CH2 2.97Å; L487-W522 HydrophobicContact CD2-CZ2 3.39Å; L487-W522 HydrophobicContact CD2-CZ3 3.27Å; L487-W522 HydrophobicContact CG-CH2 3.87Å; L487-W522 HydrophobicContact CG-CZ2 4.04Å |
| 488 | F | 47.6 | Very low | 36.4 | Very low | 20 Ų | 20 | 63.9 Ų | 63.9 | 9% | 0.088 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -120.4 | 0.1 | -176.7 | -60.8 | -72.6 | 0 | 0 | 0 | 114.6 | F366 F369 M370 V484 N485 A486 G490 W522 | F366-F488 HydrophobicContact CE2-CD1 4.4Å; F366-F488 AromaticContact CE2-CE1 3.97Å; F366-F488 HydrophobicContact CE2-CE1 3.97Å; F366-F488 AromaticContact CZ-CD1 3.79Å; F366-F488 HydrophobicContact CZ-CD1 3.79Å; F366-F488 AromaticContact CZ-CE1 3.75Å; F366-F488 HydrophobicContact CZ-CE1 3.75Å; F369-F488 HydrophobicContact CE1-CZ 4.35Å; M370-F488 HydrophobicContact CE-CB 4.43Å; M370-F488 HydrophobicContact CE-CD1 4.38Å; M370-F488 HydrophobicContact CE-CD2 3.42Å; M370-F488 VanDerWaalsContact CE-CD2 3.42Å; M370-F488 HydrophobicContact CE-CE2 3.67Å; M370-F488 HydrophobicContact CE-CG 3.84Å; M370-F488 HydrophobicContact CE-CZ 4.2Å; M370-F488 HydrophobicContact CG-CE1 4.41Å; M370-F488 HydrophobicContact CG-CZ 4.19Å; M370-F488 HydrophobicContact SD-CB 4.42Å; M370-F488 HydrophobicContact SD-CD1 3.38Å; M370-F488 WeakPolarHBondContact SD-CD1 3.48Å; M370-F488 HydrophobicContact SD-CD2 3.33Å; M370-F488 WeakPolarHBondContact SD-CD2 3.42Å; M370-F488 HydrophobicContact SD-CE1 3.18Å; M370-F488 WeakPolarHBondContact SD-CE1 3.36Å; M370-F488 HydrophobicContact SD-CE2 3.2Å; M370-F488 WeakPolarHBondContact SD-CE2 3.4Å; M370-F488 HydrophobicContact SD-CG 3.45Å; M370-F488 WeakPolarHBondContact SD-CG 3.24Å; M370-F488 HydrophobicContact SD-CZ 3.09Å; M370-F488 WeakPolarHBondContact SD-CZ 3.45Å; V484-F488 HydrophobicContact CG1-CD2 3.85Å; V484-F488 HydrophobicContact CG1-CE2 3.84Å; V484-F488 WeakPolarHBondContact O-CD2 3.35Å; V484-F488 PolarHBondContact O-N 3.08Å; N485-F488 CarbonylContact O-C 3.6Å; N485-F488 PolarHBondContact O-N 2.82Å; A486-F488 PolarHBondContact O-N 3.12Å; F488-G490 PolarHBondContact O-N 3.22Å; F488-W522 HydrophobicContact CD1-CZ2 4.07Å; F488-W522 HydrophobicContact CD2-CZ2 4.38Å; F488-W522 AromaticContact CE1-CE2 3.85Å; F488-W522 HydrophobicContact CE1-CH2 4.1Å; F488-W522 AromaticContact CE1-CZ2 3.25Å; F488-W522 HydrophobicContact CE1-CZ2 3.25Å; F488-W522 AromaticContact CE1-NE1 3.99Å; F488-W522 AromaticContact CE2-CH2 3.63Å; F488-W522 HydrophobicContact CE2-CH2 3.63Å; F488-W522 AromaticContact CE2-CZ2 3.58Å; F488-W522 HydrophobicContact CE2-CZ2 3.58Å; F488-W522 AromaticContact CZ-CE2 3.86Å; F488-W522 AromaticContact CZ-CH2 3.32Å; F488-W522 HydrophobicContact CZ-CH2 3.32Å; F488-W522 AromaticContact CZ-CZ2 2.95Å; F488-W522 HydrophobicContact CZ-CZ2 2.95Å; F488-W522 HydrophobicContact CZ-CZ3 4.49Å |
| 489 | L | 41.6 | Very low | 36.7 | Very low | 120 Ų | 120 | 56.4 Ų | 56.4 | 63% | 0.628 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | 18.3 | -173.8 | -99 | 167.6 | 0 | 0 | 0 | 115.4 | N485 | N485-L489 HydrophobicContact CB-CD1 4.12Å; N485-L489 HydrophobicContact CB-CG 4.37Å; N485-L489 WeakPolarHBondContact O-CA 3.34Å; N485-L489 WeakPolarHBondContact O-CB 3.38Å; N485-L489 WeakPolarHBondContact O-CD1 3.46Å; N485-L489 WeakPolarHBondContact O-CG 3.4Å; N485-L489 PolarHBondContact O-N 3.02Å |
| 490 | G | 36.1 | Very low | 36.9 | Very low | 18 Ų | 18 | 55 Ų | 55 | 19% | 0.186 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 9.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | F488 | F488-G490 PolarHBondContact O-N 3.22Š|
| 491 | M | 45.3 | Very low | 37.2 | Very low | 48 Ų | 48 | 58.1 Ų | 58.1 | 24% | 0.236 | 31% | 0.311 | C | S | . | . | trans | -110.2 | 52.4 | -165.1 | -49.9 | -169 | -58.8 | 0 | 0 | 113.6 | F321 F366 I493 | F321-M491 WeakPolarHBondContact CA-SD 3.3Å; F321-M491 HydrophobicContact CB-CE 4.07Å; F321-M491 HydrophobicContact CB-SD 3.25Å; F321-M491 WeakPolarHBondContact CB-SD 3.34Å; F321-M491 HydrophobicContact CD1-CE 4.13Å; F321-M491 HydrophobicContact CD1-SD 3.26Å; F321-M491 WeakPolarHBondContact CD1-SD 3.38Å; F321-M491 HydrophobicContact CE1-SD 4.39Å; F321-M491 HydrophobicContact CG-SD 3.64Å; F321-M491 WeakPolarHBondContact O-CB 3.41Å; F321-M491 WeakPolarHBondContact O-CE 3.08Å; F366-M491 HydrophobicContact CE1-CE 4.41Å; F366-M491 HydrophobicContact CZ-CE 4.34Å; M491-I493 PolarHBondContact O-N 3.33Å | ||
| 492 | D | 34.7 | Very low | 37.6 | Very low | 132 Ų | 132 | 53.3 Ų | 53.3 | 71% | 0.706 | 29% | 0.292 | S | S | * | . | trans | -65.7 | 132.7 | 164.4 | -88.8 | -27.2 | 0 | 0 | 0 | 109.4 | F494 F495 | D492-F494 HydrophobicContact CB-CB 4.33Å; D492-F494 PolarHBondContact O-N 2.97Å; D492-F495 PolarHBondContact O-N 2.85Å | ||
| 493 | I | 31.9 | Very low | 37.7 | Very low | 65 Ų | 65 | 49.7 Ų | 49.7 | 33% | 0.333 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -39.8 | -11.4 | 169.7 | -69 | 149.3 | 0 | 0 | 0 | 114.3 | V325 M491 | V325-I493 HydrophobicContact CB-CD1 3.98Å; V325-I493 HydrophobicContact CG2-CD1 3.61Å; M491-I493 PolarHBondContact O-N 3.33Å |
| 494 | F | 31.5 | Very low | 37.6 | Very low | 81 Ų | 81 | 52.2 Ų | 52.2 | 36% | 0.355 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61 | -38.9 | -179.4 | -167.5 | -101.1 | 0 | 0 | 0 | 114.7 | L59 D492 | L59-F494 HydrophobicContact CD2-CD2 4.4Å; L59-F494 HydrophobicContact CD2-CE1 4.07Å; L59-F494 HydrophobicContact CD2-CE2 3.56Å; L59-F494 HydrophobicContact CD2-CZ 3.38Å; L59-F494 HydrophobicContact CG-CE1 4.47Å; L59-F494 HydrophobicContact CG-CZ 4.15Å; D492-F494 HydrophobicContact CB-CB 4.33Å; D492-F494 PolarHBondContact O-N 2.97Å |
| 495 | F | 37.2 | Very low | 37.7 | Very low | 63 Ų | 63 | 60.6 Ų | 60.6 | 28% | 0.276 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -70.4 | -36.2 | -176.3 | -88.7 | -83 | 0 | 0 | 0 | 113.5 | N58 D492 C497 K498 D499 | N58-F495 VanDerWaalsContact ND2-CE1 3.26Å; N58-F495 WeakPolarHBondContact ND2-CE1 3.09Å; N58-F495 WeakPolarHBondContact ND2-CZ 3.2Å; D492-F495 PolarHBondContact O-N 2.85Å; F495-C497 VanDerWaalsContact C-N 3.26Å; F495-C497 PolarHBondContact O-N 3.1Å; F495-K498 PolarHBondContact O-N 3.11Å; F495-D499 PolarHBondContact O-N 3.09Å |
| 496 | I | 35.4 | Very low | 37.9 | Very low | 33 Ų | 33 | 56.1 Ų | 56.1 | 17% | 0.169 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.4 | -37.5 | -179.4 | -63.4 | -172.3 | 0 | 0 | 0 | 111.6 | L318 T322 L329 | L318-I496 HydrophobicContact CB-CD1 3.8Å; L318-I496 HydrophobicContact CB-CG1 4.03Å; L318-I496 HydrophobicContact CD1-CD1 4.38Å; L318-I496 HydrophobicContact CD1-CG1 3.66Å; L318-I496 HydrophobicContact CG-CG1 4.49Å; T322-I496 HydrophobicContact CG2-CD1 3.38Å; T322-I496 HydrophobicContact CG2-CG1 4.14Å; L329-I496 HydrophobicContact CD1-CG2 4.07Å |
| 497 | C | 31.7 | Very low | 38.2 | Very low | 85 Ų | 85 | 58.8 Ų | 58.8 | 57% | 0.574 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -75.2 | -33.3 | -177 | -70.2 | 0 | 0 | 0 | 0 | 113 | F495 S500 | F495-C497 VanDerWaalsContact C-N 3.26Å; F495-C497 PolarHBondContact O-N 3.1Å; C497-S500 PolarHBondContact O-OG 3.02Å |
| 498 | K | 35.6 | Very low | 38.6 | Very low | 68 Ų | 68 | 63 Ų | 63 | 30% | 0.296 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -76.5 | -37.8 | -175 | -177.6 | 179.9 | 152.5 | 176.1 | 0 | 112.5 | N58 F495 S500 I501 E510 | N58-K498 WeakPolarHBondContact OD1-CD 3.41Å; N58-K498 WeakPolarHBondContact OD1-CE 3.41Å; N58-K498 PolarHBondContact OD1-NZ 3.14Å; F495-K498 PolarHBondContact O-N 3.11Å; K498-S500 VanDerWaalsContact C-N 3.28Å; K498-S500 PolarHBondContact O-N 3.13Å; K498-I501 PolarHBondContact O-N 2.8Å; K498-I501 VanDerWaalsContact O-N 3.12Å; K498-E510 IonicContact NZ-OE1 3.55Å; K498-E510 IonicContact NZ-OE2 3.29Å |
| 499 | D | 40.5 | Very low | 39 | Very low | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -73.5 | -18.2 | -173.3 | -76 | -45.3 | 0 | 0 | 0 | 114.7 | F495 I501 G502 L503 V511 | F495-D499 PolarHBondContact O-N 3.09Å; D499-I501 PolarHBondContact O-N 3.4Å; D499-G502 PolarHBondContact O-N 3.15Å; D499-G502 VanDerWaalsContact O-N 3.12Å; D499-L503 WeakPolarHBondContact O-CD1 3.36Å; D499-L503 WeakPolarHBondContact O-CG 3.41Å; D499-L503 PolarHBondContact O-N 3.41Å; D499-L503 VanDerWaalsContact O-N 3.09Å; D499-V511 HydrophobicContact CB-CG2 3.85Å; D499-V511 WeakPolarHBondContact OD2-CG2 3.38Å |
| 500 | S | 35.8 | Very low | 39.7 | Very low | 39 Ų | 39 | 59 Ų | 59 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -52.7 | -27.5 | 167.5 | 70.8 | 0 | 0 | 0 | 0 | 113.3 | L311 C497 K498 | L311-S500 VanDerWaalsContact CD1-CA 3.41Å; C497-S500 PolarHBondContact O-OG 3.02Å; K498-S500 VanDerWaalsContact C-N 3.28Å; K498-S500 PolarHBondContact O-N 3.13Å |
| 501 | I | 35 | Very low | 40.5 | Very low | 104 Ų | 104 | 58.3 Ų | 58.3 | 53% | 0.533 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -96.5 | -29 | -178.1 | -63.5 | 167.2 | 0 | 0 | 0 | 111.6 | K498 D499 | K498-I501 PolarHBondContact O-N 2.8Å; K498-I501 VanDerWaalsContact O-N 3.12Å; D499-I501 PolarHBondContact O-N 3.4Å |
| 502 | G | 38.2 | Very low | 41 | Very low | 25 Ų | 25 | 56 Ų | 56 | 26% | 0.258 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -74.3 | -36.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D499 A504 R505 G506 | D499-G502 PolarHBondContact O-N 3.15Å; D499-G502 VanDerWaalsContact O-N 3.12Å; G502-A504 PolarHBondContact O-N 2.9Å; G502-A504 VanDerWaalsContact O-N 3.11Å; G502-R505 PolarHBondContact O-N 3.43Å; G502-G506 PolarHBondContact O-N 2.89Å |
| 503 | L | 39.5 | Very low | 42.4 | Very low | 10 Ų | 10 | 53.3 Ų | 53.3 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -20.6 | 178.6 | -67.2 | 158.2 | 0 | 0 | 0 | 113.5 | L287 V310 L311 V314 D499 R505 | L287-L503 HydrophobicContact CD1-CD2 4.34Å; V310-L503 HydrophobicContact CB-CB 4.44Å; V310-L503 HydrophobicContact CB-CD1 4.27Å; V310-L503 HydrophobicContact CB-CD2 4.46Å; V310-L503 HydrophobicContact CG1-CB 3.96Å; V310-L503 HydrophobicContact CG1-CD1 3.72Å; V310-L503 HydrophobicContact CG1-CD2 3.23Å; V310-L503 HydrophobicContact CG1-CG 3.76Å; L311-L503 HydrophobicContact CD1-CD1 4.29Å; V314-L503 HydrophobicContact CG2-CD1 3.85Å; V314-L503 HydrophobicContact CG2-CD2 4.45Å; D499-L503 WeakPolarHBondContact O-CD1 3.36Å; D499-L503 WeakPolarHBondContact O-CG 3.41Å; D499-L503 PolarHBondContact O-N 3.41Å; D499-L503 VanDerWaalsContact O-N 3.09Å; L503-R505 VanDerWaalsContact C-N 3.34Å |
| 504 | A | 36 | Very low | 43.9 | Very low | 61 Ų | 61 | 51.3 Ų | 51.3 | 50% | 0.504 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -13.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G502 | G502-A504 PolarHBondContact O-N 2.9Å; G502-A504 VanDerWaalsContact O-N 3.11Å |
| 505 | R | 39.2 | Very low | 45.3 | Very low | 191 Ų | 191 | 47.6 Ų | 47.6 | 72% | 0.721 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.2 | -14.6 | -175 | -69 | -177.9 | 175.5 | -155.8 | -5 | 113.7 | G502 L503 S507 | G502-R505 PolarHBondContact O-N 3.43Å; L503-R505 VanDerWaalsContact C-N 3.34Å; R505-S507 PolarHBondContact O-N 3.12Å |
| 506 | G | 40.5 | Very low | 46.8 | Very low | 2 Ų | 2 | 46.8 Ų | 46.8 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | trans | 87.6 | -0 | 158.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | N291 K295 G502 | N291-G506 PolarHBondContact ND2-O 3.17Å; N291-G506 VanDerWaalsContact OD1-CA 3.27Å; N291-G506 WeakPolarHBondContact OD1-CA 3.39Å; K295-G506 WeakPolarHBondContact CD-O 3.38Å; K295-G506 WeakPolarHBondContact CE-O 3.48Å; K295-G506 PolarHBondContact NZ-O 3.09Å; G502-G506 PolarHBondContact O-N 2.89Å | ||
| 507 | S | 45.2 | Very low | 48.4 | Very low | 64 Ų | 64 | 45.3 Ų | 45.3 | 45% | 0.448 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -52.7 | 151.3 | 164.5 | 47.3 | 0 | 0 | 0 | 0 | 110 | N291 R505 S509 | N291-S507 VanDerWaalsContact CG-O 3.26Å; N291-S507 VanDerWaalsContact ND2-C 3.34Å; N291-S507 PolarHBondContact ND2-O 2.74Å; N291-S507 PolarHBondContact OD1-O 3.37Å; R505-S507 PolarHBondContact O-N 3.12Å; S507-S509 PolarHBondContact O-N 3.41Å |
| 508 | E | 51.9 | Low | 50.1 | Low | 89 Ų | 89 | 41.8 Ų | 41.8 | 42% | 0.416 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -42.6 | 131.2 | 169.1 | -161.3 | -176.4 | -170 | 0 | 0 | 108.6 | D288 E510 Q513 R516 | D288-E508 VanDerWaalsContact OD1-CG 3.31Å; D288-E508 WeakPolarHBondContact OD1-CG 3.5Å; E508-E510 PolarHBondContact O-N 3.08Å; E508-Q513 HydrophobicContact CG-CG 4.12Å; E508-Q513 PolarHBondContact OE2-NE2 3.39Å; E508-R516 IonicContact OE1-NH1 2.61Å; E508-R516 PolarHBondContact OE1-NH1 2.89Å |
| 509 | S | 56.3 | Low | 51.6 | Low | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | trans | -67 | 134 | -166.9 | 70 | 0 | 0 | 0 | 0 | 109.7 | L287 S507 V511 S512 Q513 | L287-S509 WeakPolarHBondContact CD2-OG 3.27Å; L287-S509 VanDerWaalsContact CG-OG 3.28Å; L287-S509 WeakPolarHBondContact CG-OG 3.36Å; S507-S509 PolarHBondContact O-N 3.41Å; S509-V511 PolarHBondContact O-N 2.8Å; S509-V511 VanDerWaalsContact O-N 3.1Å; S509-S512 PolarHBondContact N-OG 3.31Å; S509-S512 PolarHBondContact O-N 2.97Å; S509-S512 PolarHBondContact O-OG 3.14Å; S509-S512 WeakPolarHBondContact OG-CB 3.48Å; S509-S512 PolarHBondContact OG-N 3.08Å; S509-S512 PolarHBondContact OG-OG 2.78Å; S509-Q513 PolarHBondContact O-N 3.19Å; S509-Q513 VanDerWaalsContact O-N 3.08Å | ||
| 510 | E | 55.4 | Low | 53.3 | Low | 53 Ų | 53 | 40.4 Ų | 40.4 | 25% | 0.248 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -54.9 | -33.3 | 178.1 | -63.5 | -178.9 | -174.7 | 0 | 0 | 110.2 | K498 E508 F514 | K498-E510 IonicContact NZ-OE1 3.55Å; K498-E510 IonicContact NZ-OE2 3.29Å; E508-E510 PolarHBondContact O-N 3.08Å; E510-F514 WeakPolarHBondContact O-CB 3.32Å; E510-F514 PolarHBondContact O-N 3.37Å |
| 511 | V | 53 | Low | 55.1 | Low | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.024 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61 | -49.7 | 171.4 | -178.9 | 0 | 0 | 0 | 0 | 113.6 | L287 V314 L318 D499 S509 Q513 F514 I515 | L287-V511 HydrophobicContact CD2-CB 3.73Å; L287-V511 HydrophobicContact CD2-CG1 3.6Å; V314-V511 HydrophobicContact CG1-CG1 4.41Å; V314-V511 HydrophobicContact CG1-CG2 3.91Å; V314-V511 HydrophobicContact CG2-CG2 4.41Å; L318-V511 HydrophobicContact CD1-CB 4.49Å; L318-V511 HydrophobicContact CD1-CG1 3.77Å; L318-V511 HydrophobicContact CD1-CG2 3.9Å; L318-V511 HydrophobicContact CD2-CG1 3.99Å; L318-V511 HydrophobicContact CG-CG1 3.9Å; D499-V511 HydrophobicContact CB-CG2 3.85Å; D499-V511 WeakPolarHBondContact OD2-CG2 3.38Å; S509-V511 PolarHBondContact O-N 2.8Å; S509-V511 VanDerWaalsContact O-N 3.1Å; V511-Q513 VanDerWaalsContact C-N 3.31Å; V511-Q513 PolarHBondContact O-N 3.35Å; V511-F514 PolarHBondContact O-N 3.48Å; V511-I515 HydrophobicContact CG1-CD1 3.66Å; V511-I515 HydrophobicContact CG1-CG1 4.25Å; V511-I515 WeakPolarHBondContact O-CB 3.45Å; V511-I515 WeakPolarHBondContact O-CG1 3.48Å; V511-I515 PolarHBondContact O-N 3.4Å |
| 512 | S | 57.4 | Low | 56.9 | Low | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.7 | -39.5 | 179.6 | 58.3 | 0 | 0 | 0 | 0 | 110.7 | D288 S509 I515 R516 | D288-S512 VanDerWaalsContact OD1-CB 3.31Å; D288-S512 WeakPolarHBondContact OD1-CB 3.42Å; D288-S512 PolarHBondContact OD1-OG 3.25Å; S509-S512 PolarHBondContact N-OG 3.31Å; S509-S512 PolarHBondContact O-N 2.97Å; S509-S512 PolarHBondContact O-OG 3.14Å; S509-S512 WeakPolarHBondContact OG-CB 3.48Å; S509-S512 PolarHBondContact OG-N 3.08Å; S509-S512 PolarHBondContact OG-OG 2.78Å; S512-I515 PolarHBondContact O-N 3.19Å; S512-R516 WeakPolarHBondContact O-CB 3.36Å; S512-R516 VanDerWaalsContact O-CG 3.31Å; S512-R516 WeakPolarHBondContact O-CG 3.48Å; S512-R516 PolarHBondContact O-N 3.15Å |
| 513 | Q | 63.7 | Low | 59 | Low | 76 Ų | 76 | 35.3 Ų | 35.3 | 36% | 0.355 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.3 | -42.5 | 173.8 | -68.6 | -174.8 | -9.3 | 0 | 0 | 112.1 | E508 S509 V511 R516 A517 | E508-Q513 HydrophobicContact CG-CG 4.12Å; E508-Q513 PolarHBondContact OE2-NE2 3.39Å; S509-Q513 PolarHBondContact O-N 3.19Å; S509-Q513 VanDerWaalsContact O-N 3.08Å; V511-Q513 VanDerWaalsContact C-N 3.31Å; V511-Q513 PolarHBondContact O-N 3.35Å; Q513-R516 PolarHBondContact O-N 3.16Å; Q513-A517 WeakPolarHBondContact O-CB 3Å; Q513-A517 PolarHBondContact O-N 2.76Å |
| 514 | F | 62.9 | Low | 61.1 | Low | 23 Ų | 23 | 35.3 Ų | 35.3 | 10% | 0.101 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.5 | -48.1 | 174.9 | 179.8 | -90.6 | 0 | 0 | 0 | 112 | Q177 E510 V511 R516 A517 R518 | Q177-F514 HydrophobicContact CB-CD2 3.75Å; Q177-F514 HydrophobicContact CB-CE2 4.24Å; Q177-F514 HydrophobicContact CG-CB 4.36Å; Q177-F514 HydrophobicContact CG-CD2 3.8Å; E510-F514 WeakPolarHBondContact O-CB 3.32Å; E510-F514 PolarHBondContact O-N 3.37Å; V511-F514 PolarHBondContact O-N 3.48Å; F514-R516 PolarHBondContact O-N 2.94Å; F514-A517 WeakPolarHBondContact O-CB 3.28Å; F514-A517 PolarHBondContact O-N 3.47Å; F514-R518 HydrophobicContact CD1-CG 4.31Å; F514-R518 HydrophobicContact CE1-CG 3.92Å; F514-R518 HydrophobicContact CE2-CG 4.34Å; F514-R518 HydrophobicContact CZ-CG 3.94Å; F514-R518 WeakPolarHBondContact O-CG 3.28Å; F514-R518 PolarHBondContact O-N 3.2Å |
| 515 | I | 62 | Low | 63.2 | Low | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.4 | -47.3 | 177.7 | -72.1 | 173.4 | 0 | 0 | 0 | 110.4 | L280 A284 A317 V511 S512 R518 S519 | L280-I515 HydrophobicContact CD1-CG2 3.56Å; L280-I515 HydrophobicContact CD2-CG2 4.35Å; L280-I515 HydrophobicContact CG-CG2 3.51Å; L280-I515 VanDerWaalsContact O-CG2 3.28Å; L280-I515 WeakPolarHBondContact O-CG2 3.29Å; A284-I515 HydrophobicContact CB-CB 4.3Å; A284-I515 HydrophobicContact CB-CG2 3.86Å; A317-I515 HydrophobicContact CB-CD1 3.71Å; V511-I515 HydrophobicContact CG1-CD1 3.66Å; V511-I515 HydrophobicContact CG1-CG1 4.25Å; V511-I515 WeakPolarHBondContact O-CB 3.45Å; V511-I515 WeakPolarHBondContact O-CG1 3.48Å; V511-I515 PolarHBondContact O-N 3.4Å; S512-I515 PolarHBondContact O-N 3.19Å; I515-R518 PolarHBondContact O-N 3.12Å; I515-S519 VanDerWaalsContact O-CB 3.26Å; I515-S519 WeakPolarHBondContact O-CB 3.41Å; I515-S519 PolarHBondContact O-N 3.29Å |
| 516 | R | 67.4 | Low | 65.3 | Low | 46 Ų | 46 | 24.2 Ų | 24.2 | 17% | 0.174 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.5 | -39.1 | 175.6 | -71 | -164.4 | -174.9 | 100.5 | 7.2 | 112.9 | E281 A284 D288 E508 S512 Q513 F514 R518 A520 | E281-R516 IonicContact OE1-NE 3.97Å; E281-R516 PolarHBondContact OE1-NE 2.89Å; E281-R516 VanDerWaalsContact OE1-NE 3.1Å; E281-R516 WeakPolarHBondContact OE2-CG 3.44Å; A284-R516 VanDerWaalsContact C-NH2 3.35Å; A284-R516 HydrophobicContact CB-CG 3.68Å; A284-R516 PolarHBondContact O-NH2 2.89Å; D288-R516 IonicContact OD1-NH1 3.15Å; D288-R516 IonicContact OD2-CZ 3.22Å; D288-R516 IonicContact OD2-NH1 3.61Å; D288-R516 PolarHBondContact OD2-NH1 2.55Å; D288-R516 IonicContact OD2-NH2 2.67Å; D288-R516 PolarHBondContact OD2-NH2 2.82Å; E508-R516 IonicContact OE1-NH1 2.61Å; E508-R516 PolarHBondContact OE1-NH1 2.89Å; S512-R516 WeakPolarHBondContact O-CB 3.36Å; S512-R516 VanDerWaalsContact O-CG 3.31Å; S512-R516 WeakPolarHBondContact O-CG 3.48Å; S512-R516 PolarHBondContact O-N 3.15Å; Q513-R516 PolarHBondContact O-N 3.16Å; F514-R516 PolarHBondContact O-N 2.94Å; R516-R518 VanDerWaalsContact C-N 3.3Å; R516-R518 PolarHBondContact O-N 2.88Å; R516-A520 WeakPolarHBondContact O-CB 3.49Å; R516-A520 PolarHBondContact O-N 2.89Å |
| 517 | A | 68.5 | Low | 67.6 | Low | 2 Ų | 2 | 27.7 Ų | 27.7 | 2% | 0.017 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.5 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K175 Q177 N178 Q513 F514 L521 | K175-A517 HydrophobicContact CB-CB 4.46Å; K175-A517 HydrophobicContact CD-CB 3.66Å; Q177-A517 HydrophobicContact CB-CB 4.14Å; N178-A517 PolarHBondContact ND2-O 3.5Å; Q513-A517 WeakPolarHBondContact O-CB 3Å; Q513-A517 PolarHBondContact O-N 2.76Å; F514-A517 WeakPolarHBondContact O-CB 3.28Å; F514-A517 PolarHBondContact O-N 3.47Å; A517-L521 WeakPolarHBondContact O-CB 3.46Å; A517-L521 PolarHBondContact O-N 3.2Å |
| 518 | R | 67.9 | Low | 69.7 | Low | 12 Ų | 12 | 24.9 Ų | 24.9 | 5% | 0.045 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -75.8 | -42.2 | 178.2 | -68.4 | -69.5 | 176.3 | 154.3 | -5.3 | 112.5 | Q177 N178 L487 F514 I515 R516 A520 L521 W522 | Q177-R518 PolarHBondContact O-NE 3.37Å; Q177-R518 PolarHBondContact O-NH2 2.75Å; N178-R518 WeakPolarHBondContact OD1-CD 3.17Å; N178-R518 PolarHBondContact OD1-NE 2.92Å; L487-R518 PolarHBondContact O-NH1 3.07Å; F514-R518 HydrophobicContact CD1-CG 4.31Å; F514-R518 HydrophobicContact CE1-CG 3.92Å; F514-R518 HydrophobicContact CE2-CG 4.34Å; F514-R518 HydrophobicContact CZ-CG 3.94Å; F514-R518 WeakPolarHBondContact O-CG 3.28Å; F514-R518 PolarHBondContact O-N 3.2Å; I515-R518 PolarHBondContact O-N 3.12Å; R516-R518 VanDerWaalsContact C-N 3.3Å; R516-R518 PolarHBondContact O-N 2.88Å; R518-A520 VanDerWaalsContact C-N 3.32Å; R518-A520 PolarHBondContact O-N 3.03Å; R518-L521 WeakPolarHBondContact O-CB 3.42Å; R518-L521 PolarHBondContact O-N 3Å; R518-W522 PolarHBondContact O-N 3.39Å |
| 519 | S | 67.6 | Low | 71.5 | Confident | 5 Ų | 5 | 20.9 Ų | 20.9 | 4% | 0.035 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.1 | -45.5 | 174.6 | -171.8 | 0 | 0 | 0 | 0 | 111.3 | L277 I515 L521 W522 S523 | L277-S519 PolarHBondContact O-OG 3.28Å; I515-S519 VanDerWaalsContact O-CB 3.26Å; I515-S519 WeakPolarHBondContact O-CB 3.41Å; I515-S519 PolarHBondContact O-N 3.29Å; S519-L521 VanDerWaalsContact C-N 3.35Å; S519-L521 PolarHBondContact O-N 3.36Å; S519-W522 PolarHBondContact O-N 3.46Å; S519-S523 VanDerWaalsContact O-CB 3.28Å; S519-S523 WeakPolarHBondContact O-CB 3.32Å; S519-S523 PolarHBondContact O-N 2.98Å; S519-S523 PolarHBondContact O-OG 3.45Å |
| 520 | A | 76.3 | Confident | 73.2 | Confident | 38 Ų | 38 | 23.1 Ų | 23.1 | 31% | 0.314 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -62.1 | -41.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R516 R518 S523 S524 | R516-A520 WeakPolarHBondContact O-CB 3.49Å; R516-A520 PolarHBondContact O-N 2.89Å; R518-A520 VanDerWaalsContact C-N 3.32Å; R518-A520 PolarHBondContact O-N 3.03Å; A520-S523 PolarHBondContact O-N 3.42Å; A520-S524 PolarHBondContact O-N 2.96Å |
| 521 | L | 73.3 | Confident | 75 | Confident | 6 Ų | 6 | 25.2 Ų | 25.2 | 3% | 0.031 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.7 | -48.7 | 177.1 | -168.9 | 68.9 | 0 | 0 | 0 | 111.3 | F171 N178 V181 A517 R518 S519 S524 E525 | F171-L521 HydrophobicContact CD1-CD1 4.49Å; F171-L521 HydrophobicContact CD2-CD1 3.53Å; F171-L521 HydrophobicContact CD2-CG 4.42Å; F171-L521 HydrophobicContact CE1-CD1 4.36Å; F171-L521 HydrophobicContact CE2-CD1 3.42Å; F171-L521 VanDerWaalsContact CE2-CD1 3.42Å; F171-L521 HydrophobicContact CE2-CG 3.98Å; F171-L521 HydrophobicContact CG-CD1 4.12Å; F171-L521 HydrophobicContact CZ-CD1 3.86Å; F171-L521 HydrophobicContact CZ-CG 4.49Å; N178-L521 HydrophobicContact CB-CD2 4.27Å; V181-L521 HydrophobicContact CB-CD2 3.97Å; V181-L521 HydrophobicContact CG1-CD2 3.79Å; V181-L521 HydrophobicContact CG2-CD2 4.04Å; A517-L521 WeakPolarHBondContact O-CB 3.46Å; A517-L521 PolarHBondContact O-N 3.2Å; R518-L521 WeakPolarHBondContact O-CB 3.42Å; R518-L521 PolarHBondContact O-N 3Å; S519-L521 VanDerWaalsContact C-N 3.35Å; S519-L521 PolarHBondContact O-N 3.36Å; L521-S524 PolarHBondContact O-N 3.41Å; L521-S524 PolarHBondContact O-OG 3.26Å; L521-E525 PolarHBondContact O-N 2.56Å; L521-E525 VanDerWaalsContact O-N 3.1Å |
| 522 | W | 73.6 | Confident | 76.9 | Confident | 9 Ų | 9 | 25.4 Ų | 25.4 | 3% | 0.034 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.7 | -36.5 | 177.5 | -75.5 | 118.5 | 0 | 0 | 0 | 113.5 | L277 F369 V373 L487 F488 R518 S519 S524 E525 M526 | L277-W522 HydrophobicContact CD1-CB 4.04Å; L277-W522 HydrophobicContact CD2-CB 3.47Å; L277-W522 VanDerWaalsContact CD2-CB 3.47Å; L277-W522 HydrophobicContact CD2-CG 4.23Å; L277-W522 HydrophobicContact CG-CB 4.4Å; F369-W522 AromaticContact CE1-CD2 3.96Å; F369-W522 HydrophobicContact CE1-CD2 3.96Å; F369-W522 AromaticContact CE1-CE2 3.99Å; F369-W522 HydrophobicContact CE1-CE3 4.37Å; F369-W522 HydrophobicContact CE1-CG 4.2Å; F369-W522 HydrophobicContact CE1-CZ2 4.46Å; F369-W522 HydrophobicContact CZ-CB 4.18Å; F369-W522 AromaticContact CZ-CD2 3.79Å; F369-W522 HydrophobicContact CZ-CD2 3.79Å; F369-W522 HydrophobicContact CZ-CE3 4.04Å; F369-W522 AromaticContact CZ-CG 3.84Å; F369-W522 HydrophobicContact CZ-CG 3.84Å; V373-W522 HydrophobicContact CB-CH2 4.43Å; V373-W522 HydrophobicContact CB-CZ3 4.15Å; V373-W522 HydrophobicContact CG1-CH2 3.51Å; V373-W522 HydrophobicContact CG1-CZ3 3.39Å; V373-W522 HydrophobicContact CG2-CE3 4.01Å; V373-W522 HydrophobicContact CG2-CH2 4.2Å; V373-W522 HydrophobicContact CG2-CZ3 3.63Å; L487-W522 HydrophobicContact CB-CH2 3.75Å; L487-W522 HydrophobicContact CB-CZ2 3.76Å; L487-W522 HydrophobicContact CD2-CD2 4.35Å; L487-W522 HydrophobicContact CD2-CE3 3.96Å; L487-W522 HydrophobicContact CD2-CH2 2.97Å; L487-W522 HydrophobicContact CD2-CZ2 3.39Å; L487-W522 HydrophobicContact CD2-CZ3 3.27Å; L487-W522 HydrophobicContact CG-CH2 3.87Å; L487-W522 HydrophobicContact CG-CZ2 4.04Å; F488-W522 HydrophobicContact CD1-CZ2 4.07Å; F488-W522 HydrophobicContact CD2-CZ2 4.38Å; F488-W522 AromaticContact CE1-CE2 3.85Å; F488-W522 HydrophobicContact CE1-CH2 4.1Å; F488-W522 AromaticContact CE1-CZ2 3.25Å; F488-W522 HydrophobicContact CE1-CZ2 3.25Å; F488-W522 AromaticContact CE1-NE1 3.99Å; F488-W522 AromaticContact CE2-CH2 3.63Å; F488-W522 HydrophobicContact CE2-CH2 3.63Å; F488-W522 AromaticContact CE2-CZ2 3.58Å; F488-W522 HydrophobicContact CE2-CZ2 3.58Å; F488-W522 AromaticContact CZ-CE2 3.86Å; F488-W522 AromaticContact CZ-CH2 3.32Å; F488-W522 HydrophobicContact CZ-CH2 3.32Å; F488-W522 AromaticContact CZ-CZ2 2.95Å; F488-W522 HydrophobicContact CZ-CZ2 2.95Å; F488-W522 HydrophobicContact CZ-CZ3 4.49Å; R518-W522 PolarHBondContact O-N 3.39Å; S519-W522 PolarHBondContact O-N 3.46Å; W522-S524 VanDerWaalsContact C-N 3.27Å; W522-S524 PolarHBondContact O-N 2.82Å; W522-E525 HydrophobicContact CE3-CB 4.42Å; W522-E525 PolarHBondContact O-N 3.13Å; W522-M526 WeakPolarHBondContact O-CB 3.27Å; W522-M526 PolarHBondContact O-N 3.46Å |
| 523 | S | 81.3 | Confident | 78.6 | Confident | 46 Ų | 46 | 27.1 Ų | 27.1 | 32% | 0.322 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -62 | -39.8 | 173.9 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | S519 A520 M526 E527 | S519-S523 VanDerWaalsContact O-CB 3.28Å; S519-S523 WeakPolarHBondContact O-CB 3.32Å; S519-S523 PolarHBondContact O-N 2.98Å; S519-S523 PolarHBondContact O-OG 3.45Å; A520-S523 PolarHBondContact O-N 3.42Å; S523-M526 PolarHBondContact O-N 3.41Å; S523-E527 VanDerWaalsContact O-CB 3.3Å; S523-E527 WeakPolarHBondContact O-CB 3.46Å; S523-E527 PolarHBondContact O-N 3.13Å |
| 524 | S | 83 | Confident | 80.1 | Confident | 10 Ų | 10 | 28.1 Ų | 28.1 | 7% | 0.07 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.6 | -36 | 176 | 79.3 | 0 | 0 | 0 | 0 | 113.2 | A520 L521 W522 S528 | A520-S524 PolarHBondContact O-N 2.96Å; L521-S524 PolarHBondContact O-N 3.41Å; L521-S524 PolarHBondContact O-OG 3.26Å; W522-S524 VanDerWaalsContact C-N 3.27Å; W522-S524 PolarHBondContact O-N 2.82Å; S524-S528 PolarHBondContact O-N 2.96Å; S524-S528 VanDerWaalsContact O-N 3.14Å; S524-S528 PolarHBondContact O-OG 2.87Å |
| 525 | E | 81.4 | Confident | 81.5 | Confident | 7 Ų | 7 | 28.1 Ų | 28.1 | 3% | 0.033 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.5 | -48.6 | 175 | -173.1 | 71.5 | 169.8 | 0 | 0 | 110.9 | R166 L521 W522 E527 S528 W529 | R166-E525 IonicContact CZ-OE1 3.8Å; R166-E525 IonicContact CZ-OE2 2.7Å; R166-E525 VanDerWaalsContact CZ-OE2 3.23Å; R166-E525 IonicContact NE-OE1 3.63Å; R166-E525 IonicContact NE-OE2 2.71Å; R166-E525 PolarHBondContact NE-OE2 2.84Å; R166-E525 VanDerWaalsContact NH2-CD 3.29Å; R166-E525 IonicContact NH2-OE1 3.51Å; R166-E525 PolarHBondContact NH2-OE1 2.97Å; R166-E525 IonicContact NH2-OE2 2.81Å; R166-E525 PolarHBondContact NH2-OE2 3.37Å; L521-E525 PolarHBondContact O-N 2.56Å; L521-E525 VanDerWaalsContact O-N 3.1Å; W522-E525 HydrophobicContact CE3-CB 4.42Å; W522-E525 PolarHBondContact O-N 3.13Å; E525-E527 VanDerWaalsContact C-N 3.3Å; E525-E527 PolarHBondContact O-N 3.43Å; E525-S528 WeakPolarHBondContact O-CA 3.47Å; E525-S528 WeakPolarHBondContact O-CB 3.32Å; E525-S528 PolarHBondContact O-N 3.37Å; E525-W529 HydrophobicContact CG-CD2 4.2Å; E525-W529 HydrophobicContact CG-CE3 4.35Å; E525-W529 HydrophobicContact CG-CH2 3.61Å; E525-W529 HydrophobicContact CG-CZ2 3.4Å; E525-W529 VanDerWaalsContact CG-CZ2 3.4Å; E525-W529 HydrophobicContact CG-CZ3 4.07Å; E525-W529 PolarHBondContact O-N 2.92Å; E525-W529 WeakPolarHBondContact OE1-CZ2 3.18Å |
| 526 | M | 82.6 | Confident | 83 | Confident | 12 Ų | 12 | 28 Ų | 28 | 6% | 0.059 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.4 | -37.7 | 178.7 | -173.3 | 175.7 | 74.2 | 0 | 0 | 112 | M273 S274 L277 W522 S523 S528 W529 R530 | M273-M526 HydrophobicContact CB-SD 3.94Å; M273-M526 HydrophobicContact CE-CG 4.2Å; M273-M526 HydrophobicContact CE-SD 4.3Å; S274-M526 WeakPolarHBondContact OG-CE 3.49Å; S274-M526 PolarHBondContact OG-SD 2.9Å; S274-M526 VanDerWaalsContact OG-SD 3.34Å; L277-M526 HydrophobicContact CD1-CE 3.81Å; L277-M526 HydrophobicContact CD1-SD 3.96Å; W522-M526 WeakPolarHBondContact O-CB 3.27Å; W522-M526 PolarHBondContact O-N 3.46Å; S523-M526 PolarHBondContact O-N 3.41Å; M526-S528 VanDerWaalsContact C-N 3.32Å; M526-W529 PolarHBondContact O-N 3.03Å; M526-R530 WeakPolarHBondContact O-CB 3.5Å; M526-R530 PolarHBondContact O-N 3.4Å |
| 527 | E | 88.8 | Confident | 84.3 | Confident | 75 Ų | 75 | 29.1 Ų | 29.1 | 35% | 0.35 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -60.2 | -42.1 | 171.7 | -173.2 | 65.1 | -129.7 | 0 | 0 | 111.7 | S523 E525 R530 K531 | S523-E527 VanDerWaalsContact O-CB 3.3Å; S523-E527 WeakPolarHBondContact O-CB 3.46Å; S523-E527 PolarHBondContact O-N 3.13Å; E525-E527 VanDerWaalsContact C-N 3.3Å; E525-E527 PolarHBondContact O-N 3.43Å; E527-R530 PolarHBondContact O-N 3.47Å; E527-R530 IonicContact OE1-NH1 3.7Å; E527-R530 PolarHBondContact OE1-NH1 3.33Å; E527-R530 VanDerWaalsContact OE1-NH1 3.09Å; E527-R530 IonicContact OE2-CZ 2.56Å; E527-R530 IonicContact OE2-NH1 2.55Å; E527-R530 PolarHBondContact OE2-NH1 3.49Å; E527-K531 WeakPolarHBondContact O-CG 3.28Å; E527-K531 PolarHBondContact O-N 3.05Å |
| 528 | S | 89.6 | Confident | 85.5 | Confident | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 178.2 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | S524 E525 M526 K531 I532 | S524-S528 PolarHBondContact O-N 2.96Å; S524-S528 VanDerWaalsContact O-N 3.14Å; S524-S528 PolarHBondContact O-OG 2.87Å; E525-S528 WeakPolarHBondContact O-CA 3.47Å; E525-S528 WeakPolarHBondContact O-CB 3.32Å; E525-S528 PolarHBondContact O-N 3.37Å; M526-S528 VanDerWaalsContact C-N 3.32Å; S528-K531 PolarHBondContact O-N 3.15Å; S528-I532 WeakPolarHBondContact O-CG1 3.2Å; S528-I532 PolarHBondContact O-N 2.92Å; S528-I532 VanDerWaalsContact O-N 3.11Å |
| 529 | W | 88.9 | Confident | 86.6 | Confident | 6 Ų | 6 | 33.4 Ų | 33.4 | 2% | 0.023 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.3 | -37.5 | 173.6 | -63.8 | -26.1 | 0 | 0 | 0 | 113 | F262 F266 M273 V373 L376 Q377 E525 M526 I532 H533 | F262-W529 HydrophobicContact CE2-CB 4.41Å; F262-W529 HydrophobicContact CE2-CG 4.36Å; F262-W529 HydrophobicContact CZ-CB 4.04Å; F262-W529 HydrophobicContact CZ-CG 4.41Å; F266-W529 HydrophobicContact CD2-CB 3.85Å; F266-W529 HydrophobicContact CE2-CB 3.53Å; M273-W529 HydrophobicContact CE-CE3 3.85Å; M273-W529 HydrophobicContact CE-CZ3 3.49Å; M273-W529 VanDerWaalsContact CE-CZ3 3.49Å; V373-W529 HydrophobicContact CB-CH2 4.43Å; V373-W529 HydrophobicContact CG1-CH2 4.13Å; V373-W529 HydrophobicContact CG2-CH2 4.35Å; V373-W529 HydrophobicContact CG2-CZ3 4.3Å; L376-W529 HydrophobicContact CB-CD2 4.41Å; L376-W529 HydrophobicContact CB-CE3 4.28Å; L376-W529 HydrophobicContact CB-CH2 4.29Å; L376-W529 HydrophobicContact CB-CZ2 4.42Å; L376-W529 HydrophobicContact CB-CZ3 4.22Å; L376-W529 HydrophobicContact CD1-CD2 4.22Å; L376-W529 HydrophobicContact CD1-CE3 3.51Å; L376-W529 HydrophobicContact CD1-CZ3 3.72Å; Q377-W529 HydrophobicContact CG-CH2 4.1Å; Q377-W529 HydrophobicContact CG-CZ2 3.64Å; E525-W529 HydrophobicContact CG-CD2 4.2Å; E525-W529 HydrophobicContact CG-CE3 4.35Å; E525-W529 HydrophobicContact CG-CH2 3.61Å; E525-W529 HydrophobicContact CG-CZ2 3.4Å; E525-W529 VanDerWaalsContact CG-CZ2 3.4Å; E525-W529 HydrophobicContact CG-CZ3 4.07Å; E525-W529 PolarHBondContact O-N 2.92Å; E525-W529 WeakPolarHBondContact OE1-CZ2 3.18Å; M526-W529 PolarHBondContact O-N 3.03Å; W529-I532 PolarHBondContact O-N 3.26Å; W529-H533 WeakPolarHBondContact O-CB 3.36Å; W529-H533 PolarHBondContact O-N 3.22Å |
| 530 | R | 93.1 | Very high | 87.7 | Confident | 50 Ų | 50 | 35.4 Ų | 35.4 | 19% | 0.189 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.8 | -46.5 | 174.6 | -165 | -177.5 | -51.4 | 105.3 | 3 | 111.6 | F266 M526 E527 I532 H533 E534 | F266-R530 HydrophobicContact CE1-CB 4.43Å; F266-R530 HydrophobicContact CE1-CG 4.35Å; F266-R530 VanDerWaalsContact CZ-CA 3.43Å; F266-R530 HydrophobicContact CZ-CB 3.76Å; F266-R530 HydrophobicContact CZ-CG 4.1Å; M526-R530 WeakPolarHBondContact O-CB 3.5Å; M526-R530 PolarHBondContact O-N 3.4Å; E527-R530 PolarHBondContact O-N 3.47Å; E527-R530 IonicContact OE1-NH1 3.7Å; E527-R530 PolarHBondContact OE1-NH1 3.33Å; E527-R530 VanDerWaalsContact OE1-NH1 3.09Å; E527-R530 IonicContact OE2-CZ 2.56Å; E527-R530 IonicContact OE2-NH1 2.55Å; E527-R530 PolarHBondContact OE2-NH1 3.49Å; R530-I532 VanDerWaalsContact C-N 3.31Å; R530-I532 PolarHBondContact O-N 2.79Å; R530-H533 WeakPolarHBondContact O-CB 3.4Å; R530-H533 PolarHBondContact O-N 2.94Å; R530-H533 VanDerWaalsContact O-N 3.15Å; R530-E534 HydrophobicContact CG-CG 4.39Å; R530-E534 WeakPolarHBondContact O-CB 3.22Å; R530-E534 WeakPolarHBondContact O-CG 3.3Å; R530-E534 PolarHBondContact O-N 3.16Å |
| 531 | K | 93.8 | Very high | 88.5 | Confident | 96 Ų | 96 | 38.6 Ų | 38.6 | 42% | 0.417 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.6 | -42.4 | 176.1 | -73 | 175 | -179.4 | 175.3 | 0 | 112 | E527 S528 E534 S535 | E527-K531 WeakPolarHBondContact O-CG 3.28Å; E527-K531 PolarHBondContact O-N 3.05Å; S528-K531 PolarHBondContact O-N 3.15Å; K531-E534 PolarHBondContact O-N 3.39Å; K531-S535 WeakPolarHBondContact O-CB 3.28Å; K531-S535 PolarHBondContact O-N 2.87Å; K531-S535 PolarHBondContact O-OG 3.4Å |
| 532 | I | 91.7 | Very high | 89.3 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 5% | 0.046 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.5 | -50.3 | 174.6 | -67.2 | 168.8 | 0 | 0 | 0 | 110.1 | K165 T250 F254 F262 S528 W529 R530 E534 S535 L536 | K165-I532 HydrophobicContact CB-CD1 3.94Å; K165-I532 HydrophobicContact CB-CG1 4.21Å; T250-I532 HydrophobicContact CG2-CG2 4.36Å; F254-I532 HydrophobicContact CE2-CG2 3.55Å; F254-I532 HydrophobicContact CZ-CG2 3.56Å; F262-I532 HydrophobicContact CD1-CG2 4.28Å; F262-I532 HydrophobicContact CE1-CB 4.14Å; F262-I532 HydrophobicContact CE1-CG2 3.59Å; F262-I532 HydrophobicContact CZ-CB 4.26Å; F262-I532 HydrophobicContact CZ-CG2 4.05Å; S528-I532 WeakPolarHBondContact O-CG1 3.2Å; S528-I532 PolarHBondContact O-N 2.92Å; S528-I532 VanDerWaalsContact O-N 3.11Å; W529-I532 PolarHBondContact O-N 3.26Å; R530-I532 VanDerWaalsContact C-N 3.31Å; R530-I532 PolarHBondContact O-N 2.79Å; I532-E534 PolarHBondContact O-N 3.49Å; I532-S535 PolarHBondContact O-N 2.97Å; I532-L536 HydrophobicContact CG2-CD1 4.01Å; I532-L536 HydrophobicContact CG2-CG 4.36Å; I532-L536 VanDerWaalsContact O-CG 3.29Å; I532-L536 WeakPolarHBondContact O-CG 3.45Å; I532-L536 PolarHBondContact O-N 3.05Å |
| 533 | H | 93.7 | Very high | 90.1 | Very high | 36 Ų | 36 | 41.4 Ų | 41.4 | 17% | 0.167 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.3 | -44.1 | 178.9 | 171.9 | -86.2 | 0 | 0 | 0 | 112.7 | F262 F266 V267 W529 R530 L536 S537 | F262-H533 HydrophobicContact CE1-CB 4.27Å; F266-H533 HydrophobicContact CD1-CB 3.59Å; F266-H533 AromaticContact CD1-CD2 3.63Å; F266-H533 AromaticContact CD1-CG 3.47Å; F266-H533 VanDerWaalsContact CD1-CG 3.47Å; F266-H533 HydrophobicContact CE1-CB 3.78Å; F266-H533 AromaticContact CE1-CG 3.81Å; F266-H533 HydrophobicContact CG-CB 4.22Å; V267-H533 VanDerWaalsContact CG2-NE2 3.26Å; V267-H533 WeakPolarHBondContact CG2-NE2 3.33Å; W529-H533 WeakPolarHBondContact O-CB 3.36Å; W529-H533 PolarHBondContact O-N 3.22Å; R530-H533 WeakPolarHBondContact O-CB 3.4Å; R530-H533 PolarHBondContact O-N 2.94Å; R530-H533 VanDerWaalsContact O-N 3.15Å; H533-L536 PolarHBondContact O-N 2.87Å; H533-S537 WeakPolarHBondContact O-CB 3.4Å; H533-S537 PolarHBondContact O-N 2.9Å |
| 534 | E | 94.5 | Very high | 90.5 | Very high | 96 Ų | 96 | 41.4 Ų | 41.4 | 45% | 0.449 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.5 | -47.3 | 176.2 | -74 | 173 | -177.8 | 0 | 0 | 111.3 | R530 K531 I532 L536 S537 D538 | R530-E534 HydrophobicContact CG-CG 4.39Å; R530-E534 WeakPolarHBondContact O-CB 3.22Å; R530-E534 WeakPolarHBondContact O-CG 3.3Å; R530-E534 PolarHBondContact O-N 3.16Å; K531-E534 PolarHBondContact O-N 3.39Å; I532-E534 PolarHBondContact O-N 3.49Å; E534-L536 VanDerWaalsContact C-N 3.3Å; E534-L536 PolarHBondContact O-N 3.39Å; E534-S537 PolarHBondContact O-N 3.21Å; E534-D538 WeakPolarHBondContact O-CB 3.47Å; E534-D538 PolarHBondContact O-N 2.91Å |
| 535 | S | 93.8 | Very high | 90.9 | Very high | 24 Ų | 24 | 48.7 Ų | 48.7 | 17% | 0.168 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.9 | -35.7 | 175.4 | -77.5 | 0 | 0 | 0 | 0 | 113.1 | N247 K531 I532 G539 | N247-S535 WeakPolarHBondContact OD1-CA 3.29Å; N247-S535 WeakPolarHBondContact OD1-CB 3.31Å; N247-S535 PolarHBondContact OD1-OG 2.88Å; K531-S535 WeakPolarHBondContact O-CB 3.28Å; K531-S535 PolarHBondContact O-N 2.87Å; K531-S535 PolarHBondContact O-OG 3.4Å; I532-S535 PolarHBondContact O-N 2.97Å; S535-G539 WeakPolarHBondContact O-CA 3.37Å; S535-G539 PolarHBondContact O-N 3.37Å |
| 536 | L | 93 | Very high | 91.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.4 | -49 | 172.7 | -70.5 | 175.2 | 0 | 0 | 0 | 111 | V251 F254 H259 F262 I532 H533 E534 D538 G539 L540 | V251-L536 HydrophobicContact CB-CD2 4.32Å; V251-L536 HydrophobicContact CG2-CD2 3.84Å; F254-L536 HydrophobicContact CD2-CD1 4.25Å; F254-L536 HydrophobicContact CD2-CD2 3.8Å; F254-L536 HydrophobicContact CD2-CG 4.48Å; F254-L536 HydrophobicContact CE1-CD1 4.48Å; F254-L536 HydrophobicContact CE2-CD1 4Å; F254-L536 HydrophobicContact CE2-CD2 4.2Å; F254-L536 HydrophobicContact CE2-CG 4.4Å; F254-L536 HydrophobicContact CG-CD2 4.34Å; F254-L536 HydrophobicContact CZ-CD1 4.13Å; H259-L536 HydrophobicContact CB-CD1 4.31Å; H259-L536 HydrophobicContact CB-CD2 4.27Å; F262-L536 HydrophobicContact CD1-CD1 3.86Å; F262-L536 HydrophobicContact CE1-CD1 4.23Å; I532-L536 HydrophobicContact CG2-CD1 4.01Å; I532-L536 HydrophobicContact CG2-CG 4.36Å; I532-L536 VanDerWaalsContact O-CG 3.29Å; I532-L536 WeakPolarHBondContact O-CG 3.45Å; I532-L536 PolarHBondContact O-N 3.05Å; H533-L536 PolarHBondContact O-N 2.87Å; E534-L536 VanDerWaalsContact C-N 3.3Å; E534-L536 PolarHBondContact O-N 3.39Å; L536-D538 VanDerWaalsContact C-N 3.29Å; L536-D538 PolarHBondContact O-N 2.95Å; L536-G539 PolarHBondContact O-N 3.45Å; L536-L540 HydrophobicContact CB-CD1 4.25Å; L536-L540 VanDerWaalsContact O-CB 3.27Å; L536-L540 WeakPolarHBondContact O-CB 3.5Å; L536-L540 WeakPolarHBondContact O-CD1 3.41Å; L536-L540 WeakPolarHBondContact O-CG 3.41Å; L536-L540 PolarHBondContact O-N 3.43Å |
| 537 | S | 93.2 | Very high | 91.8 | Very high | 68 Ų | 68 | 54.2 Ų | 54.2 | 48% | 0.476 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.7 | -42.2 | 178.6 | 179 | 0 | 0 | 0 | 0 | 112.2 | H533 E534 P541 | H533-S537 WeakPolarHBondContact O-CB 3.4Å; H533-S537 PolarHBondContact O-N 2.9Å; E534-S537 PolarHBondContact O-N 3.21Å; S537-P541 WeakPolarHBondContact O-CD 3.43Å |
| 538 | D | 93.8 | Very high | 92 | Very high | 104 Ų | 104 | 53.3 Ų | 53.3 | 56% | 0.556 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -80 | -31.6 | -179.8 | -71.6 | -8.1 | 0 | 0 | 0 | 112.8 | N247 E534 L536 | N247-D538 WeakPolarHBondContact ND2-CB 3.45Å; E534-D538 WeakPolarHBondContact O-CB 3.47Å; E534-D538 PolarHBondContact O-N 2.91Å; L536-D538 VanDerWaalsContact C-N 3.29Å; L536-D538 PolarHBondContact O-N 2.95Å |
| 539 | G | 90.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -81.6 | -43.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S535 L536 P541 T542 S543 | S535-G539 WeakPolarHBondContact O-CA 3.37Å; S535-G539 PolarHBondContact O-N 3.37Å; L536-G539 PolarHBondContact O-N 3.45Å; G539-P541 VanDerWaalsContact C-CD 3.46Å; G539-T542 PolarHBondContact O-N 2.99Å; G539-T542 VanDerWaalsContact O-N 3.09Å; G539-T542 PolarHBondContact O-OG1 3.14Å; G539-T542 VanDerWaalsContact O-OG1 3.11Å; G539-S543 PolarHBondContact O-N 3.23Å; G539-S543 VanDerWaalsContact O-N 3.1Å |
| 540 | L | 91.1 | Very high | 92.4 | Very high | 48 Ų | 48 | 54 Ų | 54 | 25% | 0.251 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.9 | -41.1 | -173.1 | -75.4 | 167.4 | 0 | 0 | 0 | 114.4 | V251 L536 T542 S543 | V251-L540 HydrophobicContact CG1-CD2 3.84Å; V251-L540 HydrophobicContact CG2-CD2 4.29Å; V251-L540 HydrophobicContact CG2-CG 4.13Å; L536-L540 HydrophobicContact CB-CD1 4.25Å; L536-L540 VanDerWaalsContact O-CB 3.27Å; L536-L540 WeakPolarHBondContact O-CB 3.5Å; L536-L540 WeakPolarHBondContact O-CD1 3.41Å; L536-L540 WeakPolarHBondContact O-CG 3.41Å; L536-L540 PolarHBondContact O-N 3.43Å; L540-T542 PolarHBondContact O-N 3.36Å; L540-S543 PolarHBondContact O-N 2.95Å; L540-S543 PolarHBondContact O-OG 3.2Å |
| 541 | P | 92.9 | Very high | 92.3 | Very high | 104 Ų | 104 | 56.2 Ų | 56.2 | 68% | 0.675 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59.9 | -21.9 | 179.3 | -25.8 | 35.5 | 0 | 0 | 0 | 114.3 | S537 G539 | S537-P541 WeakPolarHBondContact O-CD 3.43Å; G539-P541 VanDerWaalsContact C-CD 3.46Å |
| 542 | T | 91.7 | Very high | 92.2 | Very high | 53 Ų | 53 | 54.7 Ų | 54.7 | 33% | 0.325 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -112.4 | -6.1 | -178.7 | 64.1 | 0 | 0 | 0 | 0 | 113.7 | G539 L540 K545 K546 | G539-T542 PolarHBondContact O-N 2.99Å; G539-T542 VanDerWaalsContact O-N 3.09Å; G539-T542 PolarHBondContact O-OG1 3.14Å; G539-T542 VanDerWaalsContact O-OG1 3.11Å; L540-T542 PolarHBondContact O-N 3.36Å; T542-K545 PolarHBondContact O-N 2.82Å; T542-K546 WeakPolarHBondContact O-CG 3.45Å; T542-K546 PolarHBondContact O-N 3.02Å; T542-K546 VanDerWaalsContact O-N 3.12Å; T542-K546 WeakPolarHBondContact OG1-CE 3.22Å; T542-K546 PolarHBondContact OG1-NZ 3.4Å |
| 543 | S | 89.8 | Confident | 92.2 | Very high | 22 Ų | 22 | 57.7 Ų | 57.7 | 15% | 0.154 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.8 | -50 | -170.7 | 61.9 | 0 | 0 | 0 | 0 | 112.4 | G539 L540 K545 K546 E547 | G539-S543 PolarHBondContact O-N 3.23Å; G539-S543 VanDerWaalsContact O-N 3.1Å; L540-S543 PolarHBondContact O-N 2.95Å; L540-S543 PolarHBondContact O-OG 3.2Å; S543-K545 VanDerWaalsContact C-N 3.26Å; S543-K545 PolarHBondContact O-N 3.46Å; S543-K546 PolarHBondContact O-N 3.25Å; S543-E547 WeakPolarHBondContact O-CB 3.34Å; S543-E547 PolarHBondContact O-N 3.45Å |
| 544 | G | 88.4 | Confident | 92.1 | Very high | 46 Ų | 46 | 56 Ų | 56 | 47% | 0.474 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.4 | -31.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A548 | G544-A548 WeakPolarHBondContact O-CB 3.47Å; G544-A548 PolarHBondContact O-N 2.65Å; G544-A548 VanDerWaalsContact O-N 3.07Å |
| 545 | K | 92.2 | Very high | 91.8 | Very high | 162 Ų | 162 | 52.9 Ų | 52.9 | 70% | 0.704 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -69.8 | -43.2 | 173.3 | -68.7 | -179.8 | -178.3 | 174.1 | 0 | 111.5 | T542 S543 A548 V549 | T542-K545 PolarHBondContact O-N 2.82Å; S543-K545 VanDerWaalsContact C-N 3.26Å; S543-K545 PolarHBondContact O-N 3.46Å; K545-A548 PolarHBondContact O-N 3.44Å; K545-V549 WeakPolarHBondContact O-CG2 3.08Å; K545-V549 PolarHBondContact O-N 2.87Å; K545-V549 VanDerWaalsContact O-N 3.1Å |
| 546 | K | 93.6 | Very high | 91.4 | Very high | 34 Ų | 34 | 53.5 Ų | 53.5 | 15% | 0.148 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.5 | -39.7 | 179.4 | -69.8 | 173.3 | 174 | 159.2 | 0 | 111.5 | I242 D245 F248 T542 S543 V549 L550 | I242-K546 HydrophobicContact CD1-CB 3.94Å; I242-K546 HydrophobicContact CD1-CG 4.18Å; I242-K546 HydrophobicContact CG1-CB 3.97Å; I242-K546 HydrophobicContact CG1-CD 4.29Å; I242-K546 HydrophobicContact CG1-CG 3.85Å; D245-K546 WeakPolarHBondContact OD2-CE 3.32Å; D245-K546 IonicContact OD2-NZ 2.68Å; D245-K546 PolarHBondContact OD2-NZ 3.02Å; F248-K546 HydrophobicContact CB-CD 3.91Å; F248-K546 HydrophobicContact CD1-CD 4.48Å; F248-K546 HydrophobicContact CD2-CB 3.8Å; F248-K546 HydrophobicContact CD2-CD 3.51Å; F248-K546 HydrophobicContact CD2-CG 4.31Å; F248-K546 HydrophobicContact CE1-CB 4.45Å; F248-K546 HydrophobicContact CE2-CB 3.51Å; F248-K546 HydrophobicContact CE2-CD 4.15Å; F248-K546 HydrophobicContact CE2-CG 4.49Å; F248-K546 HydrophobicContact CG-CB 4.37Å; F248-K546 HydrophobicContact CG-CD 3.69Å; F248-K546 HydrophobicContact CZ-CB 3.87Å; T542-K546 WeakPolarHBondContact O-CG 3.45Å; T542-K546 PolarHBondContact O-N 3.02Å; T542-K546 VanDerWaalsContact O-N 3.12Å; T542-K546 WeakPolarHBondContact OG1-CE 3.22Å; T542-K546 PolarHBondContact OG1-NZ 3.4Å; S543-K546 PolarHBondContact O-N 3.25Å; K546-V549 WeakPolarHBondContact O-CB 3.46Å; K546-V549 PolarHBondContact O-N 3.42Å; K546-L550 WeakPolarHBondContact O-CG 3.36Å; K546-L550 PolarHBondContact O-N 3.19Å |
| 547 | E | 90.3 | Very high | 90.4 | Very high | 102 Ų | 102 | 60.7 Ų | 60.7 | 48% | 0.477 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 174 | -171 | 171.9 | -165.4 | 0 | 0 | 111.4 | S543 V549 L550 E551 | S543-E547 WeakPolarHBondContact O-CB 3.34Å; S543-E547 PolarHBondContact O-N 3.45Å; E547-V549 VanDerWaalsContact C-N 3.25Å; E547-V549 PolarHBondContact O-N 3.47Å; E547-L550 WeakPolarHBondContact O-CB 2.91Å; E547-L550 PolarHBondContact O-N 3.05Å; E547-E551 PolarHBondContact O-N 3.36Å; E547-E551 VanDerWaalsContact O-N 3.1Å |
| 548 | A | 92.1 | Very high | 88.7 | Confident | 55 Ų | 55 | 60.7 Ų | 60.7 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.2 | -37.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G544 K545 E551 T552 | G544-A548 WeakPolarHBondContact O-CB 3.47Å; G544-A548 PolarHBondContact O-N 2.65Å; G544-A548 VanDerWaalsContact O-N 3.07Å; K545-A548 PolarHBondContact O-N 3.44Å; A548-E551 PolarHBondContact O-N 3.28Å; A548-T552 PolarHBondContact O-N 3.26Å; A548-T552 VanDerWaalsContact O-N 3.07Å; A548-T552 PolarHBondContact O-OG1 3.01Å |
| 549 | V | 94.8 | Very high | 86.2 | Confident | 24 Ų | 24 | 59.1 Ų | 59.1 | 15% | 0.145 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67 | -36.6 | 175.1 | 172.3 | 0 | 0 | 0 | 0 | 112 | H235 Q238 L239 I242 K545 K546 E547 E551 T552 | H235-V549 PolarHBondContact NE2-O 2.99Å; Q238-V549 HydrophobicContact CB-CG1 4Å; L239-V549 HydrophobicContact CD2-CG1 3.98Å; L239-V549 HydrophobicContact CG-CG1 4.43Å; I242-V549 HydrophobicContact CD1-CB 3.79Å; I242-V549 HydrophobicContact CD1-CG1 3.63Å; K545-V549 WeakPolarHBondContact O-CG2 3.08Å; K545-V549 PolarHBondContact O-N 2.87Å; K545-V549 VanDerWaalsContact O-N 3.1Å; K546-V549 WeakPolarHBondContact O-CB 3.46Å; K546-V549 PolarHBondContact O-N 3.42Å; E547-V549 VanDerWaalsContact C-N 3.25Å; E547-V549 PolarHBondContact O-N 3.47Å; V549-E551 VanDerWaalsContact C-N 3.34Å; V549-T552 PolarHBondContact O-N 2.61Å |
| 550 | L | 92.1 | Very high | 83.7 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.01 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66 | -35.6 | 176.8 | -70.4 | 177 | 0 | 0 | 0 | 112.7 | V124 S126 H128 L239 I242 F248 F252 K546 E547 | V124-L550 VanDerWaalsContact O-CD2 3.24Å; V124-L550 WeakPolarHBondContact O-CD2 3.37Å; S126-L550 WeakPolarHBondContact CB-O 3.36Å; S126-L550 PolarHBondContact OG-O 3.44Å; H128-L550 PolarHBondContact CD2-O 3.14Å; L239-L550 HydrophobicContact CD2-CD2 3.77Å; I242-L550 HydrophobicContact CG2-CD1 4.31Å; I242-L550 HydrophobicContact CG2-CD2 4.05Å; I242-L550 HydrophobicContact CG2-CG 4.26Å; F248-L550 HydrophobicContact CE1-CD1 3.9Å; F248-L550 HydrophobicContact CZ-CD1 3.94Å; F252-L550 HydrophobicContact CE2-CD1 4.42Å; K546-L550 WeakPolarHBondContact O-CG 3.36Å; K546-L550 PolarHBondContact O-N 3.19Å; E547-L550 WeakPolarHBondContact O-CB 2.91Å; E547-L550 PolarHBondContact O-N 3.05Å |
| 551 | E | 90.6 | Very high | 80.8 | Confident | 95 Ų | 95 | 73.6 Ų | 73.6 | 44% | 0.444 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 1.6 | -177.6 | -59.7 | -59.2 | 132.8 | 0 | 0 | 113.2 | H128 R155 E547 A548 V549 | H128-E551 VanDerWaalsContact CD2-C 3.47Å; H128-E551 VanDerWaalsContact NE2-C 3.35Å; H128-E551 PolarHBondContact NE2-O 3.4Å; H128-E551 VanDerWaalsContact NE2-O 3.09Å; R155-E551 IonicContact CZ-OE1 3.71Å; R155-E551 IonicContact NH1-OE1 3.04Å; R155-E551 PolarHBondContact NH1-OE1 3.14Å; R155-E551 IonicContact NH2-OE1 3.55Å; E547-E551 PolarHBondContact O-N 3.36Å; E547-E551 VanDerWaalsContact O-N 3.1Å; A548-E551 PolarHBondContact O-N 3.28Å; V549-E551 VanDerWaalsContact C-N 3.34Å |
| 552 | T | 91.4 | Very high | 77.9 | Confident | 65 Ų | 65 | 81.3 Ų | 81.3 | 40% | 0.399 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -78.6 | 131.8 | 172.8 | -63.8 | 0 | 0 | 0 | 0 | 109.6 | H128 H235 A548 V549 F554 | H128-T552 PolarHBondContact CD2-O 3.1Å; H128-T552 VanDerWaalsContact CD2-O 3.26Å; H235-T552 PolarHBondContact CE1-O 3.35Å; A548-T552 PolarHBondContact O-N 3.26Å; A548-T552 VanDerWaalsContact O-N 3.07Å; A548-T552 PolarHBondContact O-OG1 3.01Å; V549-T552 PolarHBondContact O-N 2.61Å; T552-F554 PolarHBondContact O-N 3.25Å |
| 553 | P | 91.8 | Very high | 77.2 | Confident | 71 Ų | 71 | 82.8 Ų | 82.8 | 46% | 0.461 | 47% | 0.473 | S | S | . | . | trans | -55.5 | 131 | 172.7 | -26.6 | 35 | 0 | 0 | 0 | 112.1 | ||||
| 554 | F | 91.4 | Very high | 76.5 | Confident | 2 Ų | 2 | 85.9 Ų | 85.9 | 1% | 0.009 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -80.1 | -44.4 | -176.6 | -178.5 | -110.1 | 0 | 0 | 0 | 112.4 | L8 L12 H128 V129 M232 H235 I236 L239 T552 | L8-F554 HydrophobicContact CD1-CZ 4.4Å; L12-F554 HydrophobicContact CD1-CE1 3.86Å; L12-F554 HydrophobicContact CD1-CZ 4.05Å; L12-F554 HydrophobicContact CD2-CE1 4.09Å; H128-F554 HydrophobicContact CB-CB 4.2Å; V129-F554 HydrophobicContact CG2-CB 4.23Å; V129-F554 HydrophobicContact CG2-CD1 4.3Å; V129-F554 HydrophobicContact CG2-CD2 4.15Å; V129-F554 HydrophobicContact CG2-CG 3.96Å; M232-F554 HydrophobicContact CB-CE2 4.35Å; M232-F554 HydrophobicContact CB-CZ 4.22Å; M232-F554 HydrophobicContact CE-CD1 4.09Å; M232-F554 HydrophobicContact CE-CE1 3.53Å; M232-F554 HydrophobicContact CE-CZ 3.93Å; M232-F554 WeakPolarHBondContact O-CE2 3.48Å; H235-F554 HydrophobicContact CB-CD2 4.4Å; H235-F554 HydrophobicContact CB-CE2 4.39Å; H235-F554 AromaticContact ND1-CD2 3.68Å; I236-F554 HydrophobicContact CB-CE2 3.79Å; I236-F554 HydrophobicContact CB-CZ 4.06Å; I236-F554 HydrophobicContact CD1-CE2 4.09Å; I236-F554 HydrophobicContact CD1-CZ 4.19Å; I236-F554 HydrophobicContact CG1-CE2 4.44Å; I236-F554 HydrophobicContact CG1-CZ 4.45Å; L239-F554 HydrophobicContact CD1-CD2 4.29Å; T552-F554 PolarHBondContact O-N 3.25Å |
| 555 | Y | 89.5 | Confident | 75.9 | Confident | 30 Ų | 30 | 88.2 Ų | 88.2 | 12% | 0.118 | 49% | 0.491 | C | S | . | . | S | Bend | trans | -84.4 | 145.1 | 178.4 | -60.5 | -74.8 | 0 | 0 | 0 | 110.8 | V129 N133 T135 L136 M232 | V129-Y555 WeakPolarHBondContact O-CE2 3.37Å; V129-Y555 PolarHBondContact O-OH 2.98Å; N133-Y555 HydrophobicContact CB-CD1 4.47Å; N133-Y555 HydrophobicContact CB-CD2 3.98Å; N133-Y555 HydrophobicContact CB-CE1 4.45Å; N133-Y555 HydrophobicContact CB-CE2 3.97Å; N133-Y555 HydrophobicContact CB-CG 4.24Å; N133-Y555 VanDerWaalsContact CG-CE2 3.41Å; N133-Y555 WeakPolarHBondContact ND2-CE2 3.19Å; N133-Y555 PolarHBondContact ND2-OH 2.84Å; N133-Y555 PolarHBondContact OD1-OH 3.48Å; T135-Y555 HydrophobicContact CG2-CE1 3.94Å; L136-Y555 WeakPolarHBondContact CB-OH 3.28Å; M232-Y555 HydrophobicContact CE-CD1 3.61Å; M232-Y555 HydrophobicContact CE-CE1 3.75Å |
| 556 | P | 84.4 | Confident | 74.9 | Confident | 36 Ų | 36 | 83.8 Ų | 83.8 | 23% | 0.234 | 48% | 0.479 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 145.6 | 172.2 | 26.3 | -30.6 | 0 | 0 | 0 | 110.1 | L224 D228 R231 G558 | L224-P556 HydrophobicContact CD1-CG 3.81Å; D228-P556 HydrophobicContact CB-CG 4.45Å; R231-P556 VanDerWaalsContact NH2-CA 3.31Å; P556-G558 PolarHBondContact O-N 3.11Å; P556-G558 VanDerWaalsContact O-N 3.13Å |
| 557 | D | 73.1 | Confident | 73.7 | Confident | 152 Ų | 152 | 86.9 Ų | 86.9 | 81% | 0.813 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 121.1 | 173.8 | -71.1 | -37.5 | 0 | 0 | 0 | 108.4 | G559 | D557-G559 PolarHBondContact O-N 3.35Š|
| 558 | G | 57.5 | Low | 72.6 | Confident | 68 Ų | 68 | 85.9 Ų | 85.9 | 70% | 0.701 | 50% | 0.501 | S | S | * | . | trans | -60.3 | 109.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | P556 N560 | P556-G558 PolarHBondContact O-N 3.11Å; P556-G558 VanDerWaalsContact O-N 3.13Å; G558-N560 VanDerWaalsContact C-N 3.31Å; G558-N560 PolarHBondContact O-N 3.34Å | ||
| 559 | G | 41.1 | Very low | 71.2 | Confident | 70 Ų | 70 | 88.1 Ų | 88.1 | 72% | 0.722 | 50% | 0.504 | S | S | * | . | trans | -58.1 | 99.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | D557 E561 | D557-G559 PolarHBondContact O-N 3.35Å; G559-E561 PolarHBondContact O-N 3.49Å | ||
| 560 | N | 37 | Very low | 69.4 | Low | 162 Ų | 162 | 93.1 Ų | 93.1 | 87% | 0.866 | 53% | 0.532 | S | S | * | . | trans | -70 | 77.1 | 150.5 | -72.7 | -21.8 | 0 | 0 | 0 | 105.7 | G558 | G558-N560 VanDerWaalsContact C-N 3.31Å; G558-N560 PolarHBondContact O-N 3.34Å | ||
| 561 | E | 31.6 | Very low | 67.5 | Low | 190 Ų | 190 | 100.7 Ų | 100.7 | 89% | 0.888 | 58% | 0.575 | S | S | * | * | trans | -74.6 | 117.4 | 154.2 | -74.5 | -172.4 | 160.6 | 0 | 0 | 106.2 | G559 | G559-E561 PolarHBondContact O-N 3.49Š| ||
| 562 | E | 31 | Very low | 65.4 | Low | 267 Ų | 267 | 101.2 Ų | 101.2 | 100% | 1.248 | 59% | 0.587 | S | S | * | * | trans | -50.2 | 0 | -179.1 | -73.7 | 179.6 | 135.1 | 0 | 0 | 115.2 |
Retrieved 562 of 562 residues in 1073.5 ms
(Link to these results)