| 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 | 61.4 | Low | 83.2 | Confident | 155 Ų | 155 | 71.2 Ų | 71.2 | 76% | 0.764 | 38% | 0.379 | S | S | * | . | 0 | 125.6 | 0 | -83.2 | 177.6 | 134.9 | 0 | 0 | 109.8 | L3 I6 A154 I156 | M1-L3 PolarHBondContact O-N 3.44Å; M1-I6 HydrophobicContact CB-CD1 3.79Å; M1-I6 HydrophobicContact CE-CD1 4.12Å; M1-I6 HydrophobicContact CG-CD1 3.97Å; M1-I6 HydrophobicContact SD-CD1 4.29Å; M1-A154 WeakPolarHBondContact CA-O 3.17Å; M1-I156 HydrophobicContact CE-CD1 3.75Å; M1-I156 HydrophobicContact CE-CG1 3.6Å; M1-I156 HydrophobicContact CG-CG1 4.39Å | |||
| 2 | Q | 77 | Confident | 83.6 | Confident | 81 Ų | 81 | 66.9 Ų | 66.9 | 38% | 0.379 | 35% | 0.354 | S | S | . | . | trans | -88.3 | 93.3 | 176.9 | -64.4 | -173.3 | 6.1 | 0 | 0 | 109.7 | E4 V5 I6 A153 A154 | Q2-E4 PolarHBondContact O-N 2.75Å; Q2-V5 HydrophobicContact CB-CB 4.08Å; Q2-V5 HydrophobicContact CB-CG2 3.94Å; Q2-V5 PolarHBondContact O-N 2.88Å; Q2-V5 VanDerWaalsContact OE1-CG2 3.29Å; Q2-I6 WeakPolarHBondContact O-CG1 3.33Å; Q2-I6 PolarHBondContact O-N 3.42Å; Q2-I6 VanDerWaalsContact O-N 3.07Å; Q2-A153 PolarHBondContact OE1-O 2.82Å; Q2-A154 PolarHBondContact N-O 2.9Å; Q2-A154 VanDerWaalsContact N-O 3.14Å | ||
| 3 | L | 82.3 | Confident | 83.9 | Confident | 132 Ų | 132 | 63.8 Ų | 63.8 | 69% | 0.691 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -57.7 | -35.3 | -173.2 | -148.6 | 90.6 | 0 | 0 | 0 | 112.6 | M1 V5 I6 L7 | M1-L3 PolarHBondContact O-N 3.44Å; L3-V5 PolarHBondContact O-N 2.82Å; L3-I6 PolarHBondContact O-N 3.46Å; L3-L7 WeakPolarHBondContact O-CB 3.28Å; L3-L7 PolarHBondContact O-N 3.04Å |
| 4 | E | 84.8 | Confident | 84.3 | Confident | 121 Ų | 121 | 66 Ų | 66 | 57% | 0.565 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65 | -25.8 | 178.9 | -61.8 | -179.3 | -176.5 | 0 | 0 | 113.3 | Q2 P8 P318 | Q2-E4 PolarHBondContact O-N 2.75Å; E4-P8 WeakPolarHBondContact O-CD 3.41Å; E4-P8 WeakPolarHBondContact O-CG 3.36Å; E4-P318 HydrophobicContact CB-CB 3.89Å; E4-P318 WeakPolarHBondContact OE2-CB 3.21Å; E4-P318 WeakPolarHBondContact OE2-CG 3.05Å |
| 5 | V | 84.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -87.8 | -39.8 | 175.1 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | Q2 L3 P8 A153 G322 L325 | Q2-V5 HydrophobicContact CB-CB 4.08Å; Q2-V5 HydrophobicContact CB-CG2 3.94Å; Q2-V5 PolarHBondContact O-N 2.88Å; Q2-V5 VanDerWaalsContact OE1-CG2 3.29Å; L3-V5 PolarHBondContact O-N 2.82Å; V5-P8 WeakPolarHBondContact O-CD 3.48Å; V5-A153 HydrophobicContact CG1-CB 4.46Å; V5-G322 WeakPolarHBondContact O-CA 3.35Å; V5-L325 HydrophobicContact CG1-CD1 3.35Å |
| 6 | I | 86.2 | Confident | 84.8 | Confident | 31 Ų | 31 | 62.4 Ų | 62.4 | 16% | 0.159 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66 | -42 | -177.5 | -67.3 | 167.9 | 0 | 0 | 0 | 111.4 | M1 Q2 L3 L9 V10 A154 | M1-I6 HydrophobicContact CB-CD1 3.79Å; M1-I6 HydrophobicContact CE-CD1 4.12Å; M1-I6 HydrophobicContact CG-CD1 3.97Å; M1-I6 HydrophobicContact SD-CD1 4.29Å; Q2-I6 WeakPolarHBondContact O-CG1 3.33Å; Q2-I6 PolarHBondContact O-N 3.42Å; Q2-I6 VanDerWaalsContact O-N 3.07Å; L3-I6 PolarHBondContact O-N 3.46Å; I6-L9 WeakPolarHBondContact O-CB 3.4Å; I6-L9 PolarHBondContact O-N 3.48Å; I6-L9 VanDerWaalsContact O-N 3.16Å; I6-V10 HydrophobicContact CG2-CG2 3.98Å; I6-V10 WeakPolarHBondContact O-CG2 3.47Å; I6-V10 PolarHBondContact O-N 3.33Å; I6-A154 HydrophobicContact CD1-CB 4.17Å; I6-A154 HydrophobicContact CG1-CB 3.64Å |
| 7 | L | 88.7 | Confident | 85 | Confident | 112 Ų | 112 | 62.8 Ų | 62.8 | 59% | 0.586 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.7 | -47.9 | -173.8 | -175.6 | 123.7 | 0 | 0 | 0 | 113.1 | L3 L9 V10 A11 F319 | L3-L7 WeakPolarHBondContact O-CB 3.28Å; L3-L7 PolarHBondContact O-N 3.04Å; L7-L9 VanDerWaalsContact C-N 3.28Å; L7-L9 PolarHBondContact O-N 3.4Å; L7-V10 PolarHBondContact O-N 2.77Å; L7-A11 WeakPolarHBondContact O-CB 3.31Å; L7-A11 PolarHBondContact O-N 2.9Å; L7-F319 HydrophobicContact CD2-CE2 4.48Å |
| 8 | P | 88.5 | Confident | 85.2 | Confident | 10 Ų | 10 | 61.5 Ų | 61.5 | 7% | 0.065 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.9 | -37 | 171.3 | -26 | 34.2 | 0 | 0 | 0 | 114 | E4 V5 A11 Y12 F319 I323 | E4-P8 WeakPolarHBondContact O-CD 3.41Å; E4-P8 WeakPolarHBondContact O-CG 3.36Å; V5-P8 WeakPolarHBondContact O-CD 3.48Å; P8-A11 WeakPolarHBondContact O-CB 3.32Å; P8-A11 PolarHBondContact O-N 3.41Å; P8-Y12 WeakPolarHBondContact O-CB 3.33Å; P8-Y12 PolarHBondContact O-N 3.44Å; P8-F319 HydrophobicContact CG-CD2 3.7Å; P8-F319 HydrophobicContact CG-CE2 3.72Å; P8-F319 HydrophobicContact CG-CG 4.36Å; P8-F319 HydrophobicContact CG-CZ 4.38Å; P8-I323 HydrophobicContact CB-CG1 3.82Å; P8-I323 HydrophobicContact CG-CG1 4.35Å |
| 9 | L | 85.1 | Confident | 85.2 | Confident | 13 Ų | 13 | 60.2 Ų | 60.2 | 7% | 0.068 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70 | -40.4 | -178.3 | -167.4 | 143.9 | 0 | 0 | 0 | 111.7 | I6 L7 Y12 L13 L150 L325 M329 | I6-L9 WeakPolarHBondContact O-CB 3.4Å; I6-L9 PolarHBondContact O-N 3.48Å; I6-L9 VanDerWaalsContact O-N 3.16Å; L7-L9 VanDerWaalsContact C-N 3.28Å; L7-L9 PolarHBondContact O-N 3.4Å; L9-Y12 PolarHBondContact O-N 2.88Å; L9-L13 HydrophobicContact CD2-CD1 4.24Å; L9-L13 WeakPolarHBondContact O-CG 3.45Å; L9-L13 PolarHBondContact O-N 2.98Å; L9-L150 HydrophobicContact CD1-CD2 3.99Å; L9-L150 HydrophobicContact CD2-CD2 3.8Å; L9-L325 HydrophobicContact CD1-CB 4.24Å; L9-M329 HydrophobicContact CD1-SD 3.35Å; L9-M329 WeakPolarHBondContact CD1-SD 3.11Å; L9-M329 HydrophobicContact CD2-CE 3.9Å; L9-M329 HydrophobicContact CD2-SD 3.77Å; L9-M329 HydrophobicContact CG-CE 4.21Å; L9-M329 HydrophobicContact CG-SD 3.45Å; L9-M329 WeakPolarHBondContact CG-SD 3.17Å |
| 10 | V | 87.2 | Confident | 85.1 | Confident | 76 Ų | 76 | 57.4 Ų | 57.4 | 46% | 0.461 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 170.2 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | I6 L7 Y12 L13 V14 | I6-V10 HydrophobicContact CG2-CG2 3.98Å; I6-V10 WeakPolarHBondContact O-CG2 3.47Å; I6-V10 PolarHBondContact O-N 3.33Å; L7-V10 PolarHBondContact O-N 2.77Å; V10-Y12 VanDerWaalsContact C-N 3.32Å; V10-Y12 PolarHBondContact O-N 3.31Å; V10-L13 PolarHBondContact O-N 3.3Å; V10-V14 HydrophobicContact CG1-CG2 4.4Å; V10-V14 WeakPolarHBondContact O-CG2 3.49Å; V10-V14 PolarHBondContact O-N 3.49Å |
| 11 | A | 89.7 | Confident | 85.1 | Confident | 52 Ų | 52 | 57.6 Ų | 57.6 | 43% | 0.43 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L7 P8 V14 V15 | L7-A11 WeakPolarHBondContact O-CB 3.31Å; L7-A11 PolarHBondContact O-N 2.9Å; P8-A11 WeakPolarHBondContact O-CB 3.32Å; P8-A11 PolarHBondContact O-N 3.41Å; A11-V14 PolarHBondContact O-N 2.89Å; A11-V15 WeakPolarHBondContact O-CG2 3.11Å; A11-V15 PolarHBondContact O-N 3.44Å |
| 12 | Y | 88.6 | Confident | 86.1 | Confident | 20 Ų | 20 | 56.3 Ų | 56.3 | 8% | 0.078 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 173.8 | 167.7 | -103.5 | 0 | 0 | 0 | 112 | P8 L9 V10 V14 V15 V16 M187 Q188 A326 M329 A330 M333 | P8-Y12 WeakPolarHBondContact O-CB 3.33Å; P8-Y12 PolarHBondContact O-N 3.44Å; L9-Y12 PolarHBondContact O-N 2.88Å; V10-Y12 VanDerWaalsContact C-N 3.32Å; V10-Y12 PolarHBondContact O-N 3.31Å; Y12-V14 VanDerWaalsContact C-N 3.34Å; Y12-V14 PolarHBondContact O-N 3.02Å; Y12-V15 WeakPolarHBondContact O-CB 3.45Å; Y12-V15 PolarHBondContact O-N 3.31Å; Y12-V15 VanDerWaalsContact O-N 3.16Å; Y12-V16 HydrophobicContact CD2-CG2 4.4Å; Y12-V16 HydrophobicContact CE1-CG2 4.06Å; Y12-V16 HydrophobicContact CE2-CG2 3.9Å; Y12-V16 WeakPolarHBondContact O-CG2 3.36Å; Y12-V16 PolarHBondContact O-N 2.98Å; Y12-M187 HydrophobicContact CD2-CE 4.42Å; Y12-M187 HydrophobicContact CE2-CE 3.73Å; Y12-Q188 WeakPolarHBondContact OH-CG 3.32Å; Y12-Q188 PolarHBondContact OH-NE2 2.94Å; Y12-A326 HydrophobicContact CD1-CB 3.83Å; Y12-A326 HydrophobicContact CD2-CB 3.62Å; Y12-A326 HydrophobicContact CE1-CB 4.1Å; Y12-A326 HydrophobicContact CE2-CB 3.91Å; Y12-A326 HydrophobicContact CG-CB 3.57Å; Y12-M329 HydrophobicContact CE1-CB 4.33Å; Y12-A330 WeakPolarHBondContact OH-CA 3.37Å; Y12-A330 WeakPolarHBondContact OH-CB 3.45Å; Y12-M333 HydrophobicContact CE1-SD 3.96Å |
| 13 | L | 87.1 | Confident | 86.2 | Confident | 26 Ų | 26 | 52.6 Ų | 52.6 | 14% | 0.136 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 175.6 | -70.8 | 175.1 | 0 | 0 | 0 | 111.5 | L9 V10 V15 V16 F17 M329 M333 | L9-L13 HydrophobicContact CD2-CD1 4.24Å; L9-L13 WeakPolarHBondContact O-CG 3.45Å; L9-L13 PolarHBondContact O-N 2.98Å; V10-L13 PolarHBondContact O-N 3.3Å; L13-V15 VanDerWaalsContact C-N 3.28Å; L13-V15 PolarHBondContact O-N 2.91Å; L13-V16 PolarHBondContact O-N 3.42Å; L13-V16 VanDerWaalsContact O-N 3.14Å; L13-F17 VanDerWaalsContact O-CD2 3.3Å; L13-F17 WeakPolarHBondContact O-CD2 3.48Å; L13-F17 PolarHBondContact O-N 3.19Å; L13-M329 HydrophobicContact CD1-CE 4.46Å; L13-M329 HydrophobicContact CD2-CE 4.04Å; L13-M329 HydrophobicContact CG-CE 4.39Å; L13-M333 HydrophobicContact CD2-CE 3.74Å; L13-M333 HydrophobicContact CD2-SD 3.91Å |
| 14 | V | 89.8 | Confident | 85.7 | Confident | 95 Ų | 95 | 50.1 Ų | 50.1 | 58% | 0.576 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -58.5 | -40 | 176 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | V10 A11 Y12 G18 | V10-V14 HydrophobicContact CG1-CG2 4.4Å; V10-V14 WeakPolarHBondContact O-CG2 3.49Å; V10-V14 PolarHBondContact O-N 3.49Å; A11-V14 PolarHBondContact O-N 2.89Å; Y12-V14 VanDerWaalsContact C-N 3.34Å; Y12-V14 PolarHBondContact O-N 3.02Å; V14-G18 PolarHBondContact O-N 3.4Å |
| 15 | V | 89.8 | Confident | 85.3 | Confident | 74 Ų | 74 | 54.6 Ų | 54.6 | 45% | 0.448 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 174.8 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | A11 Y12 L13 F17 G18 I19 M187 | A11-V15 WeakPolarHBondContact O-CG2 3.11Å; A11-V15 PolarHBondContact O-N 3.44Å; Y12-V15 WeakPolarHBondContact O-CB 3.45Å; Y12-V15 PolarHBondContact O-N 3.31Å; Y12-V15 VanDerWaalsContact O-N 3.16Å; L13-V15 VanDerWaalsContact C-N 3.28Å; L13-V15 PolarHBondContact O-N 2.91Å; V15-F17 PolarHBondContact O-N 3.29Å; V15-G18 PolarHBondContact O-N 2.97Å; V15-G18 VanDerWaalsContact O-N 3.15Å; V15-I19 HydrophobicContact CG1-CD1 3.89Å; V15-I19 HydrophobicContact CG1-CG1 4.38Å; V15-I19 WeakPolarHBondContact O-CG1 3.44Å; V15-I19 PolarHBondContact O-N 3.17Å; V15-M187 HydrophobicContact CG1-CE 4.45Å; V15-M187 HydrophobicContact CG1-SD 3.67Å |
| 16 | V | 87.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.2 | -46.3 | 176.8 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | Y12 L13 I19 S20 Y172 N184 M187 M333 | Y12-V16 HydrophobicContact CD2-CG2 4.4Å; Y12-V16 HydrophobicContact CE1-CG2 4.06Å; Y12-V16 HydrophobicContact CE2-CG2 3.9Å; Y12-V16 WeakPolarHBondContact O-CG2 3.36Å; Y12-V16 PolarHBondContact O-N 2.98Å; L13-V16 PolarHBondContact O-N 3.42Å; L13-V16 VanDerWaalsContact O-N 3.14Å; V16-I19 PolarHBondContact O-N 3.15Å; V16-S20 WeakPolarHBondContact O-CB 3.24Å; V16-S20 PolarHBondContact O-N 3.47Å; V16-S20 PolarHBondContact O-OG 2.94Å; V16-Y172 HydrophobicContact CG1-CD2 4.48Å; V16-Y172 HydrophobicContact CG1-CE2 4.37Å; V16-N184 PolarHBondContact O-OD1 3.31Å; V16-M187 HydrophobicContact CG2-CE 3.68Å; V16-M333 HydrophobicContact CG1-CE 3.86Å |
| 17 | F | 86.8 | Confident | 83.2 | Confident | 70 Ų | 70 | 63.8 Ų | 63.8 | 31% | 0.307 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 174.3 | -87.7 | -84.8 | 0 | 0 | 0 | 111.5 | L13 V15 S20 V21 S168 | L13-F17 VanDerWaalsContact O-CD2 3.3Å; L13-F17 WeakPolarHBondContact O-CD2 3.48Å; L13-F17 PolarHBondContact O-N 3.19Å; V15-F17 PolarHBondContact O-N 3.29Å; F17-S20 WeakPolarHBondContact O-CB 3.43Å; F17-S20 PolarHBondContact O-N 3.47Å; F17-V21 WeakPolarHBondContact O-CG2 3.25Å; F17-V21 PolarHBondContact O-N 3.27Å; F17-S168 WeakPolarHBondContact CZ-O 3.44Å |
| 18 | G | 89.2 | Confident | 81.4 | Confident | 39 Ų | 39 | 61.2 Ų | 61.2 | 40% | 0.402 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V14 V15 S20 V21 Y22 | V14-G18 PolarHBondContact O-N 3.4Å; V15-G18 PolarHBondContact O-N 2.97Å; V15-G18 VanDerWaalsContact O-N 3.15Å; G18-S20 VanDerWaalsContact C-N 3.3Å; G18-S20 PolarHBondContact O-N 3.44Å; G18-V21 PolarHBondContact O-N 2.91Å; G18-Y22 WeakPolarHBondContact O-CB 3.29Å; G18-Y22 PolarHBondContact O-N 2.84Å |
| 19 | I | 86.1 | Confident | 79.6 | Confident | 37 Ų | 37 | 67.6 Ų | 67.6 | 19% | 0.19 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62 | -41.1 | 174 | -68.5 | 168.6 | 0 | 0 | 0 | 110.3 | V15 V16 Y22 A23 L183 N184 M187 | V15-I19 HydrophobicContact CG1-CD1 3.89Å; V15-I19 HydrophobicContact CG1-CG1 4.38Å; V15-I19 WeakPolarHBondContact O-CG1 3.44Å; V15-I19 PolarHBondContact O-N 3.17Å; V16-I19 PolarHBondContact O-N 3.15Å; I19-Y22 PolarHBondContact O-N 2.93Å; I19-A23 WeakPolarHBondContact O-CB 3.3Å; I19-A23 PolarHBondContact O-N 3.5Å; I19-L183 HydrophobicContact CG2-CB 3.55Å; I19-L183 HydrophobicContact CG2-CD1 4.44Å; I19-N184 VanDerWaalsContact CB-OD1 3.29Å; I19-N184 WeakPolarHBondContact CB-OD1 3.45Å; I19-N184 WeakPolarHBondContact CG2-OD1 3.29Å; I19-M187 HydrophobicContact CD1-CB 4.47Å; I19-M187 HydrophobicContact CD1-CE 4.1Å; I19-M187 HydrophobicContact CD1-SD 3.51Å; I19-M187 VanDerWaalsContact CD1-SD 3.51Å |
| 20 | S | 82.4 | Confident | 78.2 | Confident | 4 Ų | 4 | 69.3 Ų | 69.3 | 3% | 0.028 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 178.3 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | V16 F17 G18 A23 M24 N184 | V16-S20 WeakPolarHBondContact O-CB 3.24Å; V16-S20 PolarHBondContact O-N 3.47Å; V16-S20 PolarHBondContact O-OG 2.94Å; F17-S20 WeakPolarHBondContact O-CB 3.43Å; F17-S20 PolarHBondContact O-N 3.47Å; G18-S20 VanDerWaalsContact C-N 3.3Å; G18-S20 PolarHBondContact O-N 3.44Å; S20-A23 PolarHBondContact O-N 3.02Å; S20-M24 WeakPolarHBondContact O-CG 3.35Å; S20-M24 PolarHBondContact O-N 3.37Å; S20-N184 PolarHBondContact OG-ND2 2.98Å |
| 21 | V | 84.3 | Confident | 76.9 | Confident | 62 Ų | 62 | 69.6 Ų | 69.6 | 38% | 0.376 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 175.1 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | F17 G18 M24 R25 | F17-V21 WeakPolarHBondContact O-CG2 3.25Å; F17-V21 PolarHBondContact O-N 3.27Å; G18-V21 PolarHBondContact O-N 2.91Å; V21-M24 HydrophobicContact CB-CE 4.24Å; V21-M24 HydrophobicContact CG2-CE 3.91Å; V21-M24 PolarHBondContact O-N 2.91Å; V21-R25 WeakPolarHBondContact O-CG 3.2Å; V21-R25 PolarHBondContact O-N 2.83Å; V21-R25 VanDerWaalsContact O-N 3.17Å |
| 22 | Y | 83.9 | Confident | 75.7 | Confident | 127 Ų | 127 | 67.3 Ų | 67.3 | 50% | 0.498 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 174.9 | 172.4 | -97.4 | 0 | 0 | 0 | 111.7 | G18 I19 M24 R25 K26 | G18-Y22 WeakPolarHBondContact O-CB 3.29Å; G18-Y22 PolarHBondContact O-N 2.84Å; I19-Y22 PolarHBondContact O-N 2.93Å; Y22-M24 VanDerWaalsContact C-N 3.32Å; Y22-M24 PolarHBondContact O-N 3.28Å; Y22-R25 PolarHBondContact O-N 2.8Å; Y22-K26 HydrophobicContact CE1-CD 4.22Å; Y22-K26 PolarHBondContact O-N 3.06Å; Y22-K26 PolarHBondContact OH-NZ 2.98Å; Y22-K26 VanDerWaalsContact OH-NZ 3.08Å |
| 23 | A | 77.8 | Confident | 74.2 | Confident | 4 Ų | 4 | 67.1 Ų | 67.1 | 3% | 0.033 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61 | -41.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I19 S20 R25 K26 A180 L183 | I19-A23 WeakPolarHBondContact O-CB 3.3Å; I19-A23 PolarHBondContact O-N 3.5Å; S20-A23 PolarHBondContact O-N 3.02Å; A23-R25 VanDerWaalsContact C-N 3.34Å; A23-R25 PolarHBondContact O-N 3.36Å; A23-K26 PolarHBondContact O-N 2.93Å; A23-A180 HydrophobicContact CB-CB 3.9Å; A23-L183 HydrophobicContact CB-CD1 3.83Å |
| 24 | M | 72.7 | Confident | 73 | Confident | 79 Ų | 79 | 67.8 Ų | 67.8 | 39% | 0.389 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 174.8 | -75.4 | -165.4 | -66.5 | 0 | 0 | 112.7 | S20 V21 Y22 K26 R27 F175 | S20-M24 WeakPolarHBondContact O-CG 3.35Å; S20-M24 PolarHBondContact O-N 3.37Å; V21-M24 HydrophobicContact CB-CE 4.24Å; V21-M24 HydrophobicContact CG2-CE 3.91Å; V21-M24 PolarHBondContact O-N 2.91Å; Y22-M24 VanDerWaalsContact C-N 3.32Å; Y22-M24 PolarHBondContact O-N 3.28Å; M24-K26 VanDerWaalsContact C-N 3.31Å; M24-K26 PolarHBondContact O-N 3.49Å; M24-R27 WeakPolarHBondContact O-CB 3.37Å; M24-F175 HydrophobicContact CE-CB 4.47Å; M24-F175 WeakPolarHBondContact CG-O 3.33Å; M24-F175 HydrophobicContact SD-CB 4.11Å |
| 25 | R | 75.3 | Confident | 71.6 | Confident | 215 Ų | 215 | 64 Ų | 64 | 81% | 0.811 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -70.9 | -25.3 | -178.5 | -72.8 | -177.4 | -179.8 | -172.9 | 0.9 | 113.3 | V21 Y22 A23 R27 | V21-R25 WeakPolarHBondContact O-CG 3.2Å; V21-R25 PolarHBondContact O-N 2.83Å; V21-R25 VanDerWaalsContact O-N 3.17Å; Y22-R25 PolarHBondContact O-N 2.8Å; A23-R25 VanDerWaalsContact C-N 3.34Å; A23-R25 PolarHBondContact O-N 3.36Å; R25-R27 VanDerWaalsContact C-N 3.3Å; R25-R27 PolarHBondContact O-N 3.11Å |
| 26 | K | 69.6 | Low | 70 | Confident | 121 Ų | 121 | 61.5 Ų | 61.5 | 53% | 0.526 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 19.4 | -177.1 | -148.4 | -178.1 | -173 | 176 | 0 | 113.5 | Y22 A23 M24 S28 | Y22-K26 HydrophobicContact CE1-CD 4.22Å; Y22-K26 PolarHBondContact O-N 3.06Å; Y22-K26 PolarHBondContact OH-NZ 2.98Å; Y22-K26 VanDerWaalsContact OH-NZ 3.08Å; A23-K26 PolarHBondContact O-N 2.93Å; M24-K26 VanDerWaalsContact C-N 3.31Å; M24-K26 PolarHBondContact O-N 3.49Å; K26-S28 PolarHBondContact O-N 3.38Å |
| 27 | R | 58 | Low | 68.6 | Low | 103 Ų | 103 | 61.9 Ų | 61.9 | 39% | 0.389 | 32% | 0.322 | S | S | . | . | trans | -59.3 | 131.4 | -179.1 | -162.8 | 171.3 | -171.4 | 157.5 | 13.1 | 110.4 | M24 R25 E35 | M24-R27 WeakPolarHBondContact O-CB 3.37Å; R25-R27 VanDerWaalsContact C-N 3.3Å; R25-R27 PolarHBondContact O-N 3.11Å; R27-E35 WeakPolarHBondContact CD-OE2 3.43Å; R27-E35 WeakPolarHBondContact CG-OE2 3.35Å; R27-E35 IonicContact CZ-OE2 2.7Å; R27-E35 IonicContact NE-OE2 2.98Å; R27-E35 PolarHBondContact NE-OE2 2.98Å; R27-E35 IonicContact NH2-OE2 3.99Å | ||
| 28 | S | 51.2 | Low | 67.1 | Low | 58 Ų | 58 | 58.7 Ų | 58.7 | 41% | 0.406 | 31% | 0.308 | S | S | . | . | trans | -98.3 | -179.1 | -176.8 | 69.8 | 0 | 0 | 0 | 0 | 111 | K26 G30 E35 | K26-S28 PolarHBondContact O-N 3.38Å; S28-G30 PolarHBondContact O-N 2.96Å; S28-E35 WeakPolarHBondContact CA-OE1 3.49Å; S28-E35 PolarHBondContact N-OE1 3.42Å; S28-E35 VanDerWaalsContact N-OE1 3.11Å; S28-E35 VanDerWaalsContact O-CD 3.31Å; S28-E35 PolarHBondContact OG-OE1 2.86Å | ||
| 29 | T | 50.1 | Low | 65.5 | Low | 145 Ų | 145 | 57.2 Ų | 57.2 | 89% | 0.89 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -74.5 | 115.8 | 177.5 | 46.4 | 0 | 0 | 0 | 0 | 110.7 | ||
| 30 | G | 55.4 | Low | 64.2 | Low | 49 Ų | 49 | 58.3 Ų | 58.3 | 51% | 0.505 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 177.4 | 164.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S28 | S28-G30 PolarHBondContact O-N 2.96Š|
| 31 | T | 59.9 | Low | 63.5 | Low | 82 Ų | 82 | 60.5 Ų | 60.5 | 50% | 0.503 | 31% | 0.311 | S | S | . | . | trans | -67.1 | 143.3 | 178.6 | 51.2 | 0 | 0 | 0 | 0 | 111.6 | L33 N34 E35 | T31-L33 VanDerWaalsContact C-N 3.28Å; T31-L33 PolarHBondContact O-N 2.77Å; T31-L33 VanDerWaalsContact O-N 3.16Å; T31-N34 PolarHBondContact O-N 2.87Å; T31-N34 VanDerWaalsContact O-N 3.16Å; T31-E35 PolarHBondContact O-N 3.31Å; T31-E35 VanDerWaalsContact O-N 3.07Å | ||
| 32 | F | 63.7 | Low | 62.7 | Low | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.018 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -48.8 | -46.4 | -177.3 | 171 | -104.4 | 0 | 0 | 0 | 113.2 | E35 Y36 F37 E363 L366 K367 | F32-E35 PolarHBondContact O-N 3Å; F32-Y36 HydrophobicContact CD2-CG 4.36Å; F32-Y36 HydrophobicContact CE1-CD1 4.32Å; F32-Y36 HydrophobicContact CE1-CG 4.39Å; F32-Y36 HydrophobicContact CE2-CD1 4.11Å; F32-Y36 AromaticContact CE2-CD2 3.64Å; F32-Y36 HydrophobicContact CE2-CD2 3.64Å; F32-Y36 HydrophobicContact CE2-CE2 4.36Å; F32-Y36 AromaticContact CE2-CG 3.49Å; F32-Y36 HydrophobicContact CE2-CG 3.49Å; F32-Y36 VanDerWaalsContact CE2-CG 3.49Å; F32-Y36 AromaticContact CZ-CD1 3.62Å; F32-Y36 HydrophobicContact CZ-CD1 3.62Å; F32-Y36 AromaticContact CZ-CD2 3.98Å; F32-Y36 HydrophobicContact CZ-CD2 3.98Å; F32-Y36 HydrophobicContact CZ-CE1 4.17Å; F32-Y36 HydrophobicContact CZ-CE2 4.48Å; F32-Y36 AromaticContact CZ-CG 3.51Å; F32-Y36 HydrophobicContact CZ-CG 3.51Å; F32-Y36 WeakPolarHBondContact O-CA 3.2Å; F32-Y36 WeakPolarHBondContact O-CB 3.05Å; F32-Y36 PolarHBondContact O-N 3.17Å; F32-F37 HydrophobicContact CE1-CE2 4.42Å; F32-E363 HydrophobicContact CB-CB 4.27Å; F32-E363 HydrophobicContact CB-CG 3.93Å; F32-E363 WeakPolarHBondContact CB-OE1 3.29Å; F32-E363 PolarHBondContact N-OE1 3.21Å; F32-L366 HydrophobicContact CD1-CB 4.08Å; F32-L366 HydrophobicContact CE1-CB 4.07Å; F32-K367 HydrophobicContact CD1-CG 4.46Å; F32-K367 HydrophobicContact CD2-CD 3.95Å; F32-K367 HydrophobicContact CD2-CG 3.43Å; F32-K367 VanDerWaalsContact CD2-CG 3.43Å; F32-K367 HydrophobicContact CE1-CG 4.28Å; F32-K367 HydrophobicContact CE2-CB 4.32Å; F32-K367 HydrophobicContact CE2-CD 4.17Å; F32-K367 HydrophobicContact CE2-CG 3.23Å; F32-K367 HydrophobicContact CG-CG 4.08Å; F32-K367 HydrophobicContact CZ-CB 4.41Å; F32-K367 HydrophobicContact CZ-CG 3.7Å |
| 33 | L | 57.6 | Low | 62.2 | Low | 16 Ų | 16 | 55.1 Ų | 55.1 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.7 | -45.7 | -177.1 | -65.3 | 177.4 | 0 | 0 | 0 | 112.3 | T31 F37 L353 M360 | T31-L33 VanDerWaalsContact C-N 3.28Å; T31-L33 PolarHBondContact O-N 2.77Å; T31-L33 VanDerWaalsContact O-N 3.16Å; L33-F37 HydrophobicContact CB-CD2 4.44Å; L33-F37 HydrophobicContact CD2-CD2 3.85Å; L33-F37 HydrophobicContact CD2-CE2 3.55Å; L33-F37 WeakPolarHBondContact O-CB 3.45Å; L33-F37 PolarHBondContact O-N 3.23Å; L33-L353 HydrophobicContact CD1-CD1 4.19Å; L33-M360 HydrophobicContact CD1-SD 3.37Å; L33-M360 WeakPolarHBondContact CD1-SD 3.26Å |
| 34 | N | 63 | Low | 62.4 | Low | 40 Ų | 40 | 55.9 Ų | 55.9 | 21% | 0.214 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.6 | -38.3 | -179 | -79.8 | -11 | 0 | 0 | 0 | 112.1 | T31 L38 G39 V108 | T31-N34 PolarHBondContact O-N 2.87Å; T31-N34 VanDerWaalsContact O-N 3.16Å; N34-L38 CarbonylContact O-C 3.59Å; N34-L38 WeakPolarHBondContact O-CA 3.4Å; N34-L38 VanDerWaalsContact O-CB 3.28Å; N34-L38 WeakPolarHBondContact O-CB 3.48Å; N34-L38 PolarHBondContact O-N 2.88Å; N34-G39 PolarHBondContact O-N 3.24Å; N34-V108 VanDerWaalsContact OD1-CG2 3.31Å; N34-V108 WeakPolarHBondContact OD1-CG2 3.38Å |
| 35 | E | 59.2 | Low | 62.9 | Low | 16 Ų | 16 | 52.5 Ų | 52.5 | 8% | 0.075 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -75.2 | -44.8 | 176.7 | -75.2 | -153.8 | 136.3 | 0 | 0 | 112.9 | R27 S28 T31 F32 G39 | R27-E35 WeakPolarHBondContact CD-OE2 3.43Å; R27-E35 WeakPolarHBondContact CG-OE2 3.35Å; R27-E35 IonicContact CZ-OE2 2.7Å; R27-E35 IonicContact NE-OE2 2.98Å; R27-E35 PolarHBondContact NE-OE2 2.98Å; R27-E35 IonicContact NH2-OE2 3.99Å; S28-E35 WeakPolarHBondContact CA-OE1 3.49Å; S28-E35 PolarHBondContact N-OE1 3.42Å; S28-E35 VanDerWaalsContact N-OE1 3.11Å; S28-E35 VanDerWaalsContact O-CD 3.31Å; S28-E35 PolarHBondContact OG-OE1 2.86Å; T31-E35 PolarHBondContact O-N 3.31Å; T31-E35 VanDerWaalsContact O-N 3.07Å; F32-E35 PolarHBondContact O-N 3Å; E35-G39 WeakPolarHBondContact O-CA 3.28Å; E35-G39 PolarHBondContact O-N 3.32Å; E35-G39 VanDerWaalsContact O-N 3.15Å |
| 36 | Y | 56.8 | Low | 63.4 | Low | 20 Ų | 20 | 47.4 Ų | 47.4 | 8% | 0.078 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -76.3 | -30.2 | -171 | -171.6 | -99 | 0 | 0 | 0 | 112.9 | F32 F178 L341 S370 | F32-Y36 HydrophobicContact CD2-CG 4.36Å; F32-Y36 HydrophobicContact CE1-CD1 4.32Å; F32-Y36 HydrophobicContact CE1-CG 4.39Å; F32-Y36 HydrophobicContact CE2-CD1 4.11Å; F32-Y36 AromaticContact CE2-CD2 3.64Å; F32-Y36 HydrophobicContact CE2-CD2 3.64Å; F32-Y36 HydrophobicContact CE2-CE2 4.36Å; F32-Y36 AromaticContact CE2-CG 3.49Å; F32-Y36 HydrophobicContact CE2-CG 3.49Å; F32-Y36 VanDerWaalsContact CE2-CG 3.49Å; F32-Y36 AromaticContact CZ-CD1 3.62Å; F32-Y36 HydrophobicContact CZ-CD1 3.62Å; F32-Y36 AromaticContact CZ-CD2 3.98Å; F32-Y36 HydrophobicContact CZ-CD2 3.98Å; F32-Y36 HydrophobicContact CZ-CE1 4.17Å; F32-Y36 HydrophobicContact CZ-CE2 4.48Å; F32-Y36 AromaticContact CZ-CG 3.51Å; F32-Y36 HydrophobicContact CZ-CG 3.51Å; F32-Y36 WeakPolarHBondContact O-CA 3.2Å; F32-Y36 WeakPolarHBondContact O-CB 3.05Å; F32-Y36 PolarHBondContact O-N 3.17Å; Y36-F178 WeakPolarHBondContact O-CB 3.35Å; Y36-F178 PolarHBondContact O-N 3.3Å; Y36-L341 HydrophobicContact CD1-CD1 3.85Å; Y36-L341 HydrophobicContact CE1-CD1 3.28Å; Y36-S370 VanDerWaalsContact CE1-OG 3.3Å; Y36-S370 WeakPolarHBondContact CE1-OG 3.1Å |
| 37 | F | 57.4 | Low | 64.3 | Low | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.035 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -107.5 | -25.5 | -178.8 | -63.2 | -62.7 | 0 | 0 | 0 | 114.4 | F32 L33 V108 F178 L341 A345 | F32-F37 HydrophobicContact CE1-CE2 4.42Å; L33-F37 HydrophobicContact CB-CD2 4.44Å; L33-F37 HydrophobicContact CD2-CD2 3.85Å; L33-F37 HydrophobicContact CD2-CE2 3.55Å; L33-F37 WeakPolarHBondContact O-CB 3.45Å; L33-F37 PolarHBondContact O-N 3.23Å; F37-V108 HydrophobicContact CB-CG1 3.49Å; F37-V108 VanDerWaalsContact CB-CG1 3.49Å; F37-V108 HydrophobicContact CD2-CG1 4.21Å; F37-V108 HydrophobicContact CG-CG1 4.23Å; F37-F178 WeakPolarHBondContact O-CD2 3.45Å; F37-F178 WeakPolarHBondContact O-CE2 3.39Å; F37-F178 WeakPolarHBondContact O-CG 3.34Å; F37-L341 HydrophobicContact CD1-CD1 3.76Å; F37-L341 HydrophobicContact CD1-CG 4.04Å; F37-L341 HydrophobicContact CE1-CD1 3.76Å; F37-L341 HydrophobicContact CE1-CG 4.36Å; F37-A345 HydrophobicContact CD1-CB 3.5Å; F37-A345 VanDerWaalsContact CD1-CB 3.5Å; F37-A345 HydrophobicContact CD2-CB 4.43Å; F37-A345 HydrophobicContact CE1-CB 3.46Å; F37-A345 VanDerWaalsContact CE1-CB 3.46Å; F37-A345 HydrophobicContact CE2-CB 4.4Å; F37-A345 HydrophobicContact CG-CB 4.01Å; F37-A345 HydrophobicContact CZ-CB 3.95Å |
| 38 | L | 56.4 | Low | 65.6 | Low | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -114 | -15.5 | 179.9 | -71.2 | 162.2 | 0 | 0 | 0 | 114.9 | N34 S40 V108 F178 I261 | N34-L38 CarbonylContact O-C 3.59Å; N34-L38 WeakPolarHBondContact O-CA 3.4Å; N34-L38 VanDerWaalsContact O-CB 3.28Å; N34-L38 WeakPolarHBondContact O-CB 3.48Å; N34-L38 PolarHBondContact O-N 2.88Å; L38-S40 VanDerWaalsContact C-N 3.28Å; L38-S40 PolarHBondContact O-N 3.2Å; L38-V108 HydrophobicContact CD1-CB 4.14Å; L38-V108 HydrophobicContact CD1-CG1 4.2Å; L38-V108 HydrophobicContact CD1-CG2 3.86Å; L38-V108 HydrophobicContact CG-CB 4.48Å; L38-V108 HydrophobicContact CG-CG1 4.12Å; L38-F178 VanDerWaalsContact O-CE1 3.31Å; L38-F178 WeakPolarHBondContact O-CE1 3.32Å; L38-I261 HydrophobicContact CD2-CD1 3.44Å; L38-I261 VanDerWaalsContact CD2-CD1 3.44Å; L38-I261 HydrophobicContact CD2-CG1 3.74Å |
| 39 | G | 55.5 | Low | 67.3 | Low | 8 Ų | 8 | 36.1 Ų | 36.1 | 8% | 0.082 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | 59.2 | 36.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N34 E35 R41 S42 | N34-G39 PolarHBondContact O-N 3.24Å; E35-G39 WeakPolarHBondContact O-CA 3.28Å; E35-G39 PolarHBondContact O-N 3.32Å; E35-G39 VanDerWaalsContact O-N 3.15Å; G39-R41 VanDerWaalsContact C-N 3.26Å; G39-R41 PolarHBondContact O-N 3.33Å; G39-R41 VanDerWaalsContact O-N 3.17Å; G39-S42 PolarHBondContact O-OG 3.43Å; G39-S42 VanDerWaalsContact O-OG 3.06Å |
| 40 | S | 58.5 | Low | 69.1 | Low | 59 Ų | 59 | 29.8 Ų | 29.8 | 41% | 0.413 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | 57 | 27.4 | 175.3 | 79.1 | 0 | 0 | 0 | 0 | 115.9 | L38 S42 | L38-S40 VanDerWaalsContact C-N 3.28Å; L38-S40 PolarHBondContact O-N 3.2Å; S40-S42 PolarHBondContact O-N 3.15Å; S40-S42 VanDerWaalsContact O-N 3.13Å |
| 41 | R | 66.5 | Low | 70.5 | Confident | 50 Ų | 50 | 27.5 Ų | 27.5 | 19% | 0.189 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | 51.9 | 37.7 | 174.8 | -60.4 | -179.3 | 174.3 | 151.4 | -1.1 | 114.5 | G39 A102 R103 A107 S262 Y263 K264 | G39-R41 VanDerWaalsContact C-N 3.26Å; G39-R41 PolarHBondContact O-N 3.33Å; G39-R41 VanDerWaalsContact O-N 3.17Å; R41-A102 VanDerWaalsContact NH2-C 3.29Å; R41-A102 PolarHBondContact NH2-O 2.58Å; R41-R103 VanDerWaalsContact NH1-CG 3.34Å; R41-A107 PolarHBondContact NH2-O 2.87Å; R41-S262 CarbonylContact C-O 3.39Å; R41-S262 VanDerWaalsContact C-O 3.29Å; R41-S262 WeakPolarHBondContact CA-O 3.3Å; R41-Y263 CarbonylContact O-C 3.55Å; R41-K264 VanDerWaalsContact O-CA 3.26Å; R41-K264 WeakPolarHBondContact O-CA 3.13Å; R41-K264 PolarHBondContact O-N 2.92Å |
| 42 | S | 67.9 | Low | 71.7 | Confident | 68 Ų | 68 | 23.8 Ų | 23.8 | 48% | 0.476 | 14% | 0.139 | S | C | . | . | trans | -101 | 3.3 | -168.5 | 58.3 | 0 | 0 | 0 | 0 | 114.8 | G39 S40 G44 | G39-S42 PolarHBondContact O-OG 3.43Å; G39-S42 VanDerWaalsContact O-OG 3.06Å; S40-S42 PolarHBondContact O-N 3.15Å; S40-S42 VanDerWaalsContact O-N 3.13Å; S42-G44 PolarHBondContact O-N 2.98Å | ||
| 43 | M | 74.1 | Confident | 72.8 | Confident | 9 Ų | 9 | 23.7 Ų | 23.7 | 4% | 0.044 | 14% | 0.139 | C | C | . | . | B | Isolated β-bridge | trans | -68.2 | 123.9 | -172 | -62.5 | 174.6 | 172.5 | 0 | 0 | 112.4 | V47 L48 T51 F178 V182 S262 K264 | M43-V47 HydrophobicContact CB-CG1 4.37Å; M43-V47 HydrophobicContact CG-CG1 4.17Å; M43-L48 HydrophobicContact CB-CB 4.42Å; M43-L48 HydrophobicContact SD-CD1 4.04Å; M43-T51 HydrophobicContact CE-CG2 4.32Å; M43-F178 HydrophobicContact CE-CE1 3.47Å; M43-F178 VanDerWaalsContact CE-CE1 3.47Å; M43-F178 HydrophobicContact CE-CZ 3.71Å; M43-V182 HydrophobicContact CE-CB 4.11Å; M43-V182 HydrophobicContact CE-CG1 3.75Å; M43-V182 HydrophobicContact CE-CG2 3.15Å; M43-V182 HydrophobicContact CG-CG1 4.33Å; M43-S262 WeakPolarHBondContact CG-O 3.38Å; M43-S262 PolarHBondContact N-O 2.81Å; M43-S262 VanDerWaalsContact SD-CB 3.6Å; M43-K264 WeakPolarHBondContact O-CG 3.41Å; M43-K264 PolarHBondContact O-N 3.24Å; M43-K264 VanDerWaalsContact O-N 3.11Å |
| 44 | G | 81.2 | Confident | 74.2 | Confident | 20 Ų | 20 | 22.9 Ų | 22.9 | 21% | 0.206 | 14% | 0.135 | C | C | . | . | trans | -75.7 | 167.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S42 I46 V47 L48 | S42-G44 PolarHBondContact O-N 2.98Å; G44-I46 PolarHBondContact O-N 3.09Å; G44-V47 PolarHBondContact O-N 3.17Å; G44-L48 WeakPolarHBondContact O-CB 3.32Å; G44-L48 PolarHBondContact O-N 3.4Å | ||
| 45 | G | 83.5 | Confident | 75.1 | Confident | 7 Ų | 7 | 21.1 Ų | 21.1 | 7% | 0.072 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.2 | -37.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | A49 A268 | G45-A49 WeakPolarHBondContact O-CB 3.45Å; G45-A49 PolarHBondContact O-N 2.86Å; G45-A268 VanDerWaalsContact CA-O 3.23Å; G45-A268 WeakPolarHBondContact CA-O 3.45Å |
| 46 | I | 86.6 | Confident | 76.4 | Confident | 109 Ų | 109 | 20.9 Ų | 20.9 | 56% | 0.559 | 12% | 0.124 | S | C | * | . | H | α-helix | trans | -65.8 | -50 | 176.1 | -63.9 | 170.7 | 0 | 0 | 0 | 110.1 | G44 L48 A49 M50 I275 | G44-I46 PolarHBondContact O-N 3.09Å; I46-L48 VanDerWaalsContact C-N 3.29Å; I46-L48 PolarHBondContact O-N 3.01Å; I46-A49 PolarHBondContact O-N 3.05Å; I46-M50 HydrophobicContact CG2-CG 4.18Å; I46-M50 VanDerWaalsContact O-CG 3.3Å; I46-M50 WeakPolarHBondContact O-CG 3.27Å; I46-M50 PolarHBondContact O-N 3.33Å; I46-I275 HydrophobicContact CG1-CD1 3.78Å |
| 47 | V | 86.7 | Confident | 77.7 | Confident | 45 Ų | 45 | 20 Ų | 20 | 27% | 0.273 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -59.3 | -43.1 | 180 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | M43 G44 T51 V182 | M43-V47 HydrophobicContact CB-CG1 4.37Å; M43-V47 HydrophobicContact CG-CG1 4.17Å; G44-V47 PolarHBondContact O-N 3.17Å; V47-T51 WeakPolarHBondContact O-CB 3.49Å; V47-T51 PolarHBondContact O-N 3.18Å; V47-T51 PolarHBondContact O-OG1 3.16Å; V47-V182 HydrophobicContact CG1-CG1 3.29Å |
| 48 | L | 85.6 | Confident | 79.1 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.5 | -49.1 | 175.2 | -179.8 | 66.2 | 0 | 0 | 0 | 111.6 | M43 G44 I46 T51 L52 L91 | M43-L48 HydrophobicContact CB-CB 4.42Å; M43-L48 HydrophobicContact SD-CD1 4.04Å; G44-L48 WeakPolarHBondContact O-CB 3.32Å; G44-L48 PolarHBondContact O-N 3.4Å; I46-L48 VanDerWaalsContact C-N 3.29Å; I46-L48 PolarHBondContact O-N 3.01Å; L48-T51 PolarHBondContact O-N 3.43Å; L48-L52 VanDerWaalsContact O-CB 3.23Å; L48-L52 WeakPolarHBondContact O-CB 3.34Å; L48-L52 PolarHBondContact O-N 3.37Å; L48-L91 HydrophobicContact CD2-CD1 4.42Å; L48-L91 HydrophobicContact CD2-CD2 4.28Å |
| 49 | A | 87.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.4 | -51.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G45 I46 T51 T53 I275 | G45-A49 WeakPolarHBondContact O-CB 3.45Å; G45-A49 PolarHBondContact O-N 2.86Å; I46-A49 PolarHBondContact O-N 3.05Å; A49-T51 VanDerWaalsContact C-N 3.33Å; A49-T51 PolarHBondContact O-N 2.92Å; A49-T53 WeakPolarHBondContact O-CB 3.41Å; A49-T53 PolarHBondContact O-N 3.22Å; A49-T53 PolarHBondContact O-OG1 3.43Å; A49-I275 HydrophobicContact CB-CB 3.8Å; A49-I275 HydrophobicContact CB-CG2 3.69Å |
| 50 | M | 88.5 | Confident | 81.8 | Confident | 12 Ų | 12 | 19.8 Ų | 19.8 | 6% | 0.059 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.1 | -41 | -178.5 | -60.9 | -50.1 | -78.6 | 0 | 0 | 111.4 | I46 T53 A54 T186 G189 L190 L193 V279 | I46-M50 HydrophobicContact CG2-CG 4.18Å; I46-M50 VanDerWaalsContact O-CG 3.3Å; I46-M50 WeakPolarHBondContact O-CG 3.27Å; I46-M50 PolarHBondContact O-N 3.33Å; M50-T53 PolarHBondContact O-N 3.42Å; M50-A54 WeakPolarHBondContact O-CB 3.46Å; M50-A54 PolarHBondContact O-N 2.91Å; M50-T186 HydrophobicContact CB-CG2 4.29Å; M50-T186 HydrophobicContact CG-CG2 4.3Å; M50-G189 VanDerWaalsContact CE-CA 3.47Å; M50-G189 WeakPolarHBondContact CE-O 3.33Å; M50-L190 HydrophobicContact CE-CB 4.28Å; M50-L193 HydrophobicContact CE-CD1 3.9Å; M50-V279 HydrophobicContact SD-CG1 4.44Å; M50-V279 HydrophobicContact SD-CG2 4.18Å |
| 51 | T | 84.4 | Confident | 83.3 | Confident | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.4 | -45.6 | -179.6 | -58.2 | 0 | 0 | 0 | 0 | 112.4 | M43 V47 L48 A49 T53 T55 D185 R259 | M43-T51 HydrophobicContact CE-CG2 4.32Å; V47-T51 WeakPolarHBondContact O-CB 3.49Å; V47-T51 PolarHBondContact O-N 3.18Å; V47-T51 PolarHBondContact O-OG1 3.16Å; L48-T51 PolarHBondContact O-N 3.43Å; A49-T51 VanDerWaalsContact C-N 3.33Å; A49-T51 PolarHBondContact O-N 2.92Å; T51-T53 VanDerWaalsContact C-N 3.32Å; T51-T55 WeakPolarHBondContact O-CB 3.4Å; T51-T55 PolarHBondContact O-N 3.2Å; T51-T55 PolarHBondContact O-OG1 3.15Å; T51-D185 HydrophobicContact CG2-CB 4Å; T51-D185 WeakPolarHBondContact CG2-OD2 3.3Å; T51-R259 VanDerWaalsContact CG2-NH1 3.32Å |
| 52 | L | 84.5 | Confident | 84.4 | Confident | 4 Ų | 4 | 15 Ų | 15 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.8 | -43.9 | 177 | -171.9 | 72.5 | 0 | 0 | 0 | 110.6 | L48 T55 Y56 V87 L91 T256 R259 | L48-L52 VanDerWaalsContact O-CB 3.23Å; L48-L52 WeakPolarHBondContact O-CB 3.34Å; L48-L52 PolarHBondContact O-N 3.37Å; L52-T55 PolarHBondContact O-N 3.49Å; L52-Y56 VanDerWaalsContact O-CB 3.27Å; L52-Y56 WeakPolarHBondContact O-CB 3.21Å; L52-Y56 PolarHBondContact O-N 3.33Å; L52-V87 HydrophobicContact CD2-CB 4.31Å; L52-V87 HydrophobicContact CD2-CG1 3.76Å; L52-V87 HydrophobicContact CD2-CG2 4.01Å; L52-L91 HydrophobicContact CD2-CD1 3.75Å; L52-L91 HydrophobicContact CD2-CD2 4.23Å; L52-L91 HydrophobicContact CD2-CG 3.77Å; L52-T256 HydrophobicContact CD1-CG2 3.91Å; L52-R259 HydrophobicContact CD1-CB 3.74Å; L52-R259 HydrophobicContact CD1-CG 4.24Å |
| 53 | T | 86.8 | Confident | 85.5 | Confident | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.006 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -67.5 | -46 | -179.7 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | A49 M50 T51 T55 Y56 I57 V279 V280 L283 | A49-T53 WeakPolarHBondContact O-CB 3.41Å; A49-T53 PolarHBondContact O-N 3.22Å; A49-T53 PolarHBondContact O-OG1 3.43Å; M50-T53 PolarHBondContact O-N 3.42Å; T51-T53 VanDerWaalsContact C-N 3.32Å; T53-T55 VanDerWaalsContact C-N 3.29Å; T53-T55 PolarHBondContact O-N 2.65Å; T53-Y56 PolarHBondContact O-N 3.03Å; T53-I57 HydrophobicContact CG2-CD1 3.28Å; T53-I57 HydrophobicContact CG2-CG1 3.99Å; T53-I57 WeakPolarHBondContact O-CB 3.34Å; T53-I57 WeakPolarHBondContact O-CG1 3.24Å; T53-I57 PolarHBondContact O-N 3.37Å; T53-V279 HydrophobicContact CG2-CB 4.24Å; T53-V279 HydrophobicContact CG2-CG1 3.51Å; T53-V280 HydrophobicContact CG2-CG2 3.51Å; T53-L283 HydrophobicContact CG2-CD1 3.92Å |
| 54 | A | 86.5 | Confident | 86.2 | Confident | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.8 | -34.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M50 I57 D185 M192 S334 | M50-A54 WeakPolarHBondContact O-CB 3.46Å; M50-A54 PolarHBondContact O-N 2.91Å; A54-I57 VanDerWaalsContact O-O 3.09Å; A54-D185 HydrophobicContact CB-CB 4.3Å; A54-M192 HydrophobicContact CB-SD 4.28Å; A54-S334 WeakPolarHBondContact CB-OG 3.18Å |
| 55 | T | 83.2 | Confident | 86.7 | Confident | 3 Ų | 3 | 10.5 Ų | 10.5 | 2% | 0.018 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -71 | -43.2 | 176.1 | -53.8 | 0 | 0 | 0 | 0 | 111.5 | T51 L52 T53 R259 T335 A338 | T51-T55 WeakPolarHBondContact O-CB 3.4Å; T51-T55 PolarHBondContact O-N 3.2Å; T51-T55 PolarHBondContact O-OG1 3.15Å; L52-T55 PolarHBondContact O-N 3.49Å; T53-T55 VanDerWaalsContact C-N 3.29Å; T53-T55 PolarHBondContact O-N 2.65Å; T55-R259 PolarHBondContact OG1-NH2 3.01Å; T55-T335 PolarHBondContact O-OG1 3.35Å; T55-A338 HydrophobicContact CG2-CB 3.73Å |
| 56 | Y | 85.4 | Confident | 87.2 | Confident | 11 Ų | 11 | 10.1 Ų | 10.1 | 4% | 0.043 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -70.4 | -39.5 | -179 | 178.3 | -115.4 | 0 | 0 | 0 | 112.3 | L52 T53 S58 Q83 A86 V246 V250 V280 M284 | L52-Y56 VanDerWaalsContact O-CB 3.27Å; L52-Y56 WeakPolarHBondContact O-CB 3.21Å; L52-Y56 PolarHBondContact O-N 3.33Å; T53-Y56 PolarHBondContact O-N 3.03Å; Y56-S58 PolarHBondContact O-N 2.94Å; Y56-Q83 HydrophobicContact CE1-CB 4.39Å; Y56-Q83 WeakPolarHBondContact OH-CB 3.47Å; Y56-Q83 WeakPolarHBondContact OH-CG 3.2Å; Y56-Q83 PolarHBondContact OH-OE1 3.16Å; Y56-A86 HydrophobicContact CE1-CB 4.18Å; Y56-A86 HydrophobicContact CE2-CB 4.37Å; Y56-V246 PolarHBondContact OH-O 3.38Å; Y56-V250 HydrophobicContact CD2-CG1 4.16Å; Y56-V250 HydrophobicContact CE2-CB 4.43Å; Y56-V250 HydrophobicContact CE2-CG1 3.76Å; Y56-V250 HydrophobicContact CE2-CG2 3.73Å; Y56-V280 HydrophobicContact CD1-CG2 4.4Å; Y56-V280 HydrophobicContact CE1-CG1 4.45Å; Y56-M284 HydrophobicContact CE1-CE 4.23Å |
| 57 | I | 85.4 | Confident | 87.6 | Confident | 1 Ų | 1 | 5 Ų | 5 | 1% | 0.005 | 3% | 0.029 | C | C | . | . | S | Bend | trans | -83.6 | 101.3 | -179.6 | -61.9 | -178 | 0 | 0 | 0 | 109.3 | T53 A54 F62 M192 V280 L283 M284 A331 | T53-I57 HydrophobicContact CG2-CD1 3.28Å; T53-I57 HydrophobicContact CG2-CG1 3.99Å; T53-I57 WeakPolarHBondContact O-CB 3.34Å; T53-I57 WeakPolarHBondContact O-CG1 3.24Å; T53-I57 PolarHBondContact O-N 3.37Å; A54-I57 VanDerWaalsContact O-O 3.09Å; I57-F62 HydrophobicContact CG2-CD2 3.36Å; I57-F62 HydrophobicContact CG2-CE2 3.35Å; I57-M192 HydrophobicContact CB-CE 3.66Å; I57-M192 HydrophobicContact CD1-CE 4.43Å; I57-M192 HydrophobicContact CG2-CE 3.4Å; I57-M192 VanDerWaalsContact CG2-CE 3.4Å; I57-V280 HydrophobicContact CD1-CG2 4.36Å; I57-L283 HydrophobicContact CD1-CB 3.53Å; I57-L283 HydrophobicContact CD1-CD1 3.22Å; I57-L283 HydrophobicContact CD1-CG 3.99Å; I57-M284 HydrophobicContact CB-CE 4.45Å; I57-M284 HydrophobicContact CD1-CE 4.24Å; I57-M284 HydrophobicContact CG1-CE 3.66Å; I57-M284 HydrophobicContact CG2-CE 4.45Å; I57-A331 HydrophobicContact CG2-CB 4.47Å; I57-A331 WeakPolarHBondContact O-CB 3.27Å |
| 58 | S | 85.3 | Confident | 87.9 | Confident | 0 Ų | 0 | 2.9 Ų | 2.9 | 0% | 0 | 2% | 0.016 | C | C | . | . | trans | -108.1 | -172.5 | -172.4 | 88.1 | 0 | 0 | 0 | 0 | 112.8 | Y56 S60 S61 F62 Q142 T335 | Y56-S58 PolarHBondContact O-N 2.94Å; S58-S60 PolarHBondContact O-N 3.3Å; S58-S60 VanDerWaalsContact O-N 3.15Å; S58-S60 PolarHBondContact OG-N 3.15Å; S58-S60 VanDerWaalsContact OG-N 3.12Å; S58-S60 PolarHBondContact OG-OG 3.48Å; S58-S61 PolarHBondContact O-N 2.95Å; S58-F62 PolarHBondContact O-N 2.8Å; S58-F62 VanDerWaalsContact O-N 3.16Å; S58-Q142 VanDerWaalsContact CB-NE2 3.31Å; S58-Q142 PolarHBondContact OG-NE2 3.38Å; S58-T335 WeakPolarHBondContact CB-OG1 3.43Å | ||
| 59 | A | 85.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 2.9 Ų | 2.9 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -47 | -39.4 | 167 | 0 | 0 | 0 | 0 | 0 | 111.9 | S61 F62 I63 G64 I332 | A59-S61 PolarHBondContact O-N 3.28Å; A59-F62 PolarHBondContact O-N 3.04Å; A59-I63 WeakPolarHBondContact O-CA 3.4Å; A59-I63 VanDerWaalsContact O-CB 3.24Å; A59-I63 WeakPolarHBondContact O-CB 3.47Å; A59-I63 PolarHBondContact O-N 3.37Å; A59-G64 PolarHBondContact O-N 3.41Å; A59-G64 VanDerWaalsContact O-N 3.13Å; A59-I332 HydrophobicContact CB-CD1 4Å; A59-I332 HydrophobicContact CB-CG1 3.8Å |
| 60 | S | 83.6 | Confident | 88.8 | Confident | 16 Ų | 16 | 2.9 Ų | 2.9 | 11% | 0.112 | 2% | 0.017 | C | C | . | . | I | π-helix | trans | -66.2 | -21.5 | -179.4 | 62.6 | 0 | 0 | 0 | 0 | 113.1 | S58 G64 G65 N396 | S58-S60 PolarHBondContact O-N 3.3Å; S58-S60 VanDerWaalsContact O-N 3.15Å; S58-S60 PolarHBondContact OG-N 3.15Å; S58-S60 VanDerWaalsContact OG-N 3.12Å; S58-S60 PolarHBondContact OG-OG 3.48Å; S60-G64 CarbonylContact O-C 3.52Å; S60-G65 WeakPolarHBondContact O-CA 3.03Å; S60-G65 PolarHBondContact O-N 3.41Å; S60-N396 WeakPolarHBondContact CB-ND2 3.48Å; S60-N396 PolarHBondContact OG-ND2 2.92Å |
| 61 | S | 90.2 | Very high | 89.1 | Confident | 6 Ų | 6 | 6.6 Ų | 6.6 | 4% | 0.042 | 3% | 0.032 | C | C | . | . | I | π-helix | trans | -98.9 | -23.2 | 179.6 | -48.2 | 0 | 0 | 0 | 0 | 113.1 | S58 A59 P66 M284 | S58-S61 PolarHBondContact O-N 2.95Å; A59-S61 PolarHBondContact O-N 3.28Å; S61-P66 WeakPolarHBondContact O-CD 3.46Å; S61-P66 WeakPolarHBondContact O-CG 3.26Å; S61-M284 VanDerWaalsContact OG-CE 3.32Å; S61-M284 WeakPolarHBondContact OG-CE 3.46Å |
| 62 | F | 90.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 7.4 Ų | 7.4 | 0% | 0.004 | 4% | 0.036 | C | C | . | . | I | π-helix | trans | -99.5 | -19.3 | 178.1 | -98.1 | -95 | 0 | 0 | 0 | 113.9 | I57 S58 A59 M192 T196 L283 M287 I308 A327 P328 A331 | I57-F62 HydrophobicContact CG2-CD2 3.36Å; I57-F62 HydrophobicContact CG2-CE2 3.35Å; S58-F62 PolarHBondContact O-N 2.8Å; S58-F62 VanDerWaalsContact O-N 3.16Å; A59-F62 PolarHBondContact O-N 3.04Å; F62-M192 HydrophobicContact CD2-CE 4.17Å; F62-M192 HydrophobicContact CE2-CB 4.27Å; F62-M192 HydrophobicContact CE2-CE 3.46Å; F62-M192 VanDerWaalsContact CE2-CE 3.46Å; F62-M192 HydrophobicContact CE2-CG 4.19Å; F62-M192 HydrophobicContact CZ-CB 3.8Å; F62-M192 HydrophobicContact CZ-CE 4.16Å; F62-M192 HydrophobicContact CZ-CG 3.96Å; F62-T196 WeakPolarHBondContact CZ-OG1 3.2Å; F62-L283 HydrophobicContact CZ-CD2 4.12Å; F62-M287 HydrophobicContact CD1-CE 3.49Å; F62-M287 VanDerWaalsContact CD1-CE 3.49Å; F62-M287 HydrophobicContact CD1-CG 3.93Å; F62-M287 HydrophobicContact CD1-SD 3.81Å; F62-M287 HydrophobicContact CE1-CE 3.84Å; F62-M287 HydrophobicContact CE1-CG 3.66Å; F62-M287 HydrophobicContact CE1-SD 3.49Å; F62-M287 WeakPolarHBondContact CE1-SD 3.23Å; F62-M287 HydrophobicContact CE2-CG 4.28Å; F62-M287 HydrophobicContact CG-CE 4.31Å; F62-M287 HydrophobicContact CG-CG 4.36Å; F62-M287 HydrophobicContact CZ-CG 3.85Å; F62-M287 HydrophobicContact CZ-SD 4.21Å; F62-I308 WeakPolarHBondContact O-CG1 3.12Å; F62-A327 HydrophobicContact CE1-CB 4.09Å; F62-P328 HydrophobicContact CB-CB 4.35Å; F62-P328 HydrophobicContact CD1-CB 4.14Å; F62-P328 HydrophobicContact CD1-CG 3.9Å; F62-A331 HydrophobicContact CB-CB 4.39Å; F62-A331 HydrophobicContact CD2-CB 3.64Å; F62-A331 HydrophobicContact CE2-CB 4.16Å; F62-A331 HydrophobicContact CG-CB 4.07Å |
| 63 | I | 90.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 7.3 Ų | 7.3 | 1% | 0.01 | 4% | 0.036 | C | C | . | . | I | π-helix | trans | -125 | -63.9 | -177.5 | -57.5 | -178.5 | 0 | 0 | 0 | 109.2 | A59 G65 G67 G145 L149 D305 I332 I392 | A59-I63 WeakPolarHBondContact O-CA 3.4Å; A59-I63 VanDerWaalsContact O-CB 3.24Å; A59-I63 WeakPolarHBondContact O-CB 3.47Å; A59-I63 PolarHBondContact O-N 3.37Å; I63-G65 PolarHBondContact O-N 2.91Å; I63-G67 PolarHBondContact O-N 2.9Å; I63-G145 WeakPolarHBondContact CD1-O 2.99Å; I63-L149 HydrophobicContact CD1-CD1 3.99Å; I63-L149 HydrophobicContact CD1-CD2 3.96Å; I63-L149 HydrophobicContact CD1-CG 3.71Å; I63-L149 HydrophobicContact CG1-CD2 4.39Å; I63-D305 HydrophobicContact CG2-CB 3.84Å; I63-D305 WeakPolarHBondContact CG2-O 3.24Å; I63-I332 HydrophobicContact CD1-CD1 3.77Å; I63-I392 HydrophobicContact CG2-CD1 4.34Å |
| 64 | G | 89.1 | Confident | 90.7 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.044 | C | C | . | . | I | π-helix | trans | -64.4 | -43.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | A59 S60 G67 A68 D305 | A59-G64 PolarHBondContact O-N 3.41Å; A59-G64 VanDerWaalsContact O-N 3.13Å; S60-G64 CarbonylContact O-C 3.52Å; G64-G67 PolarHBondContact O-N 3.33Å; G64-A68 WeakPolarHBondContact O-CB 3.33Å; G64-A68 PolarHBondContact O-N 3.45Å; G64-D305 WeakPolarHBondContact CA-OD1 3.45Å |
| 65 | G | 91.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 9.1 Ų | 9.1 | 1% | 0.01 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -71.1 | -46.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S60 I63 G67 A68 A69 H288 | S60-G65 WeakPolarHBondContact O-CA 3.03Å; S60-G65 PolarHBondContact O-N 3.41Å; I63-G65 PolarHBondContact O-N 2.91Å; G65-G67 VanDerWaalsContact C-N 3.31Å; G65-G67 PolarHBondContact O-N 2.94Å; G65-A68 PolarHBondContact O-N 2.98Å; G65-A69 WeakPolarHBondContact O-CB 3.39Å; G65-A69 PolarHBondContact O-N 3.4Å; G65-H288 VanDerWaalsContact C-CD2 3.46Å; G65-H288 WeakPolarHBondContact CA-NE2 3.48Å; G65-H288 PolarHBondContact O-CD2 3.46Å |
| 66 | P | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -61.5 | -35.5 | 168.5 | -27.8 | 37.4 | 0 | 0 | 0 | 113.5 | S61 A69 Y70 M287 G291 V307 I308 | S61-P66 WeakPolarHBondContact O-CD 3.46Å; S61-P66 WeakPolarHBondContact O-CG 3.26Å; P66-A69 PolarHBondContact O-N 3.24Å; P66-Y70 WeakPolarHBondContact O-CB 3.07Å; P66-Y70 PolarHBondContact O-N 2.84Å; P66-M287 WeakPolarHBondContact CB-O 3.44Å; P66-M287 HydrophobicContact CG-CB 3.95Å; P66-M287 WeakPolarHBondContact CG-O 3.34Å; P66-G291 WeakPolarHBondContact O-CA 3.44Å; P66-V307 HydrophobicContact CB-CG1 4.33Å; P66-I308 HydrophobicContact CB-CD1 3.7Å; P66-I308 HydrophobicContact CB-CG1 3.56Å; P66-I308 HydrophobicContact CG-CD1 4.32Å; P66-I308 HydrophobicContact CG-CG1 4.04Å |
| 67 | G | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -64.3 | -42.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | I63 G64 G65 Y70 K71 P304 | I63-G67 PolarHBondContact O-N 2.9Å; G64-G67 PolarHBondContact O-N 3.33Å; G65-G67 VanDerWaalsContact C-N 3.31Å; G65-G67 PolarHBondContact O-N 2.94Å; G67-Y70 WeakPolarHBondContact O-CB 3.43Å; G67-Y70 PolarHBondContact O-N 2.85Å; G67-K71 PolarHBondContact O-N 3.25Å; G67-P304 WeakPolarHBondContact CA-O 3.28Å; G67-P304 VanDerWaalsContact O-CB 3.28Å; G67-P304 WeakPolarHBondContact O-CB 3.5Å |
| 68 | A | 93.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.008 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.4 | -40.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G64 G65 Y70 K71 Y72 W76 I393 | G64-A68 WeakPolarHBondContact O-CB 3.33Å; G64-A68 PolarHBondContact O-N 3.45Å; G65-A68 PolarHBondContact O-N 2.98Å; A68-Y70 VanDerWaalsContact C-N 3.32Å; A68-Y70 PolarHBondContact O-N 3.25Å; A68-K71 PolarHBondContact O-N 3.46Å; A68-Y72 HydrophobicContact CB-CD2 4.15Å; A68-Y72 HydrophobicContact CB-CE2 4.42Å; A68-Y72 WeakPolarHBondContact O-CB 3.39Å; A68-Y72 WeakPolarHBondContact O-CD2 3.33Å; A68-Y72 PolarHBondContact O-N 3.35Å; A68-W76 HydrophobicContact CB-CD2 3.79Å; A68-W76 HydrophobicContact CB-CE3 4.33Å; A68-W76 HydrophobicContact CB-CG 4.26Å; A68-W76 HydrophobicContact CB-CH2 4.2Å; A68-W76 HydrophobicContact CB-CZ2 3.64Å; A68-I393 HydrophobicContact CB-CD1 4.15Å |
| 69 | A | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.8 | -33.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G65 P66 G73 W76 V77 H288 A292 | G65-A69 WeakPolarHBondContact O-CB 3.39Å; G65-A69 PolarHBondContact O-N 3.4Å; P66-A69 PolarHBondContact O-N 3.24Å; A69-G73 CarbonylContact O-C 3.52Å; A69-G73 WeakPolarHBondContact O-CA 3.12Å; A69-G73 PolarHBondContact O-N 3.3Å; A69-W76 HydrophobicContact CB-CB 4.21Å; A69-W76 HydrophobicContact CB-CG 4.31Å; A69-V77 HydrophobicContact CB-CG2 4.28Å; A69-H288 HydrophobicContact CB-CB 4.33Å; A69-H288 VanDerWaalsContact CB-O 3.29Å; A69-H288 WeakPolarHBondContact CB-O 3.36Å; A69-A292 HydrophobicContact CB-CB 4.1Å; A69-A292 WeakPolarHBondContact O-CA 3.48Å |
| 70 | Y | 96.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 0% | 0.004 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.1 | -39.5 | 171.9 | 174.6 | -90.8 | 0 | 0 | 0 | 112.1 | P66 G67 A68 G291 R295 I298 P299 L301 P304 V307 | P66-Y70 WeakPolarHBondContact O-CB 3.07Å; P66-Y70 PolarHBondContact O-N 2.84Å; G67-Y70 WeakPolarHBondContact O-CB 3.43Å; G67-Y70 PolarHBondContact O-N 2.85Å; A68-Y70 VanDerWaalsContact C-N 3.32Å; A68-Y70 PolarHBondContact O-N 3.25Å; Y70-G291 WeakPolarHBondContact CB-O 3.32Å; Y70-R295 HydrophobicContact CD2-CB 3.69Å; Y70-R295 HydrophobicContact CD2-CG 4.4Å; Y70-R295 VanDerWaalsContact CE2-CA 3.42Å; Y70-R295 HydrophobicContact CE2-CB 3.72Å; Y70-R295 HydrophobicContact CE2-CG 4.16Å; Y70-R295 HydrophobicContact CG-CB 4.45Å; Y70-R295 WeakPolarHBondContact OH-CD 3.26Å; Y70-R295 PolarHBondContact OH-NH1 3.41Å; Y70-I298 WeakPolarHBondContact CE2-O 3.11Å; Y70-I298 VanDerWaalsContact CZ-O 3.32Å; Y70-I298 PolarHBondContact OH-O 3.23Å; Y70-P299 PolarHBondContact OH-O 3.41Å; Y70-L301 HydrophobicContact CE1-CB 3.75Å; Y70-L301 HydrophobicContact CE1-CD2 4.33Å; Y70-L301 HydrophobicContact CE2-CB 4.35Å; Y70-L301 VanDerWaalsContact CZ-CB 3.45Å; Y70-L301 WeakPolarHBondContact OH-CB 3.39Å; Y70-L301 PolarHBondContact OH-N 3.33Å; Y70-P304 HydrophobicContact CD1-CB 4.01Å; Y70-V307 HydrophobicContact CD2-CB 4.05Å; Y70-V307 HydrophobicContact CD2-CG2 3.35Å; Y70-V307 HydrophobicContact CE2-CG2 3.89Å; Y70-V307 HydrophobicContact CG-CB 4.14Å; Y70-V307 HydrophobicContact CG-CG2 3.9Å |
| 71 | K | 94.6 | Very high | 94.1 | Very high | 89 Ų | 89 | 16 Ų | 16 | 39% | 0.387 | 8% | 0.081 | S | C | . | . | H | α-helix | trans | -76.8 | -44.9 | 179.9 | -175.4 | 175.5 | 178 | -177 | 0 | 112.9 | G67 A68 P304 | G67-K71 PolarHBondContact O-N 3.25Å; A68-K71 PolarHBondContact O-N 3.46Å; K71-P304 HydrophobicContact CB-CB 4.39Å; K71-P304 HydrophobicContact CB-CG 4.24Å; K71-P304 HydrophobicContact CD-CG 4.35Å |
| 72 | Y | 94.9 | Very high | 94.3 | Very high | 19 Ų | 19 | 16.5 Ų | 16.5 | 8% | 0.075 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -104.4 | -11 | -169.8 | -58 | -62.1 | 0 | 0 | 0 | 113.9 | A68 W76 G229 A230 I233 | A68-Y72 HydrophobicContact CB-CD2 4.15Å; A68-Y72 HydrophobicContact CB-CE2 4.42Å; A68-Y72 WeakPolarHBondContact O-CB 3.39Å; A68-Y72 WeakPolarHBondContact O-CD2 3.33Å; A68-Y72 PolarHBondContact O-N 3.35Å; Y72-W76 HydrophobicContact CD2-CD2 4.44Å; Y72-W76 AromaticContact CD2-CE3 3.76Å; Y72-W76 HydrophobicContact CD2-CE3 3.76Å; Y72-W76 AromaticContact CD2-CZ3 3.99Å; Y72-W76 HydrophobicContact CD2-CZ3 3.99Å; Y72-W76 HydrophobicContact CE2-CZ3 4.35Å; Y72-W76 HydrophobicContact CG-CE3 4.35Å; Y72-G229 CarbonylContact O-C 3.59Å; Y72-G229 WeakPolarHBondContact O-CA 3.29Å; Y72-A230 PolarHBondContact O-N 3.04Å; Y72-I233 HydrophobicContact CD1-CB 4.34Å; Y72-I233 HydrophobicContact CD1-CD1 4.27Å; Y72-I233 HydrophobicContact CD1-CG2 3.67Å; Y72-I233 HydrophobicContact CD2-CD1 4.49Å; Y72-I233 HydrophobicContact CD2-CG2 4.46Å; Y72-I233 HydrophobicContact CE1-CB 4.32Å; Y72-I233 HydrophobicContact CE1-CD1 3.62Å; Y72-I233 HydrophobicContact CE1-CG2 4.08Å; Y72-I233 HydrophobicContact CE2-CD1 3.9Å; Y72-I233 HydrophobicContact CG-CG2 3.87Å; Y72-I233 VanDerWaalsContact CZ-CD1 3.41Å |
| 73 | G | 96.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 2% | 0.021 | 9% | 0.087 | C | C | . | . | trans | 88.9 | -161.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | A69 G75 W76 L224 | A69-G73 CarbonylContact O-C 3.52Å; A69-G73 WeakPolarHBondContact O-CA 3.12Å; A69-G73 PolarHBondContact O-N 3.3Å; G73-G75 VanDerWaalsContact C-N 3.31Å; G73-G75 PolarHBondContact O-N 3.37Å; G73-W76 WeakPolarHBondContact O-CB 3.18Å; G73-W76 PolarHBondContact O-N 3.26Å; G73-W76 VanDerWaalsContact O-N 3.16Å; G73-L224 CarbonylContact C-O 3.56Å; G73-L224 VanDerWaalsContact CA-O 3.28Å; G73-L224 WeakPolarHBondContact CA-O 3.32Å | ||
| 74 | L | 97.2 | Very high | 94.5 | Very high | 37 Ų | 37 | 20 Ų | 20 | 19% | 0.194 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.3 | -26.4 | -171.1 | -65.7 | 178.3 | 0 | 0 | 0 | 113.7 | W76 V77 L78 V214 L217 L224 V225 L289 A292 L293 | L74-W76 PolarHBondContact O-N 3.16Å; L74-V77 HydrophobicContact CD2-CG2 4.36Å; L74-V77 WeakPolarHBondContact O-CB 3.41Å; L74-V77 PolarHBondContact O-N 2.96Å; L74-L78 PolarHBondContact O-N 3.32Å; L74-V214 HydrophobicContact CD1-CG2 4.42Å; L74-L217 HydrophobicContact CG-CD1 4.36Å; L74-L224 PolarHBondContact N-O 2.75Å; L74-V225 HydrophobicContact CD1-CB 4.45Å; L74-V225 HydrophobicContact CD1-CG1 4.17Å; L74-L289 HydrophobicContact CD2-CD1 3.82Å; L74-A292 HydrophobicContact CD2-CB 3.84Å; L74-L293 HydrophobicContact CD2-CD2 4.35Å |
| 75 | G | 96 | Very high | 94.6 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56 | -35.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G73 V77 L78 L79 T226 L234 | G73-G75 VanDerWaalsContact C-N 3.31Å; G73-G75 PolarHBondContact O-N 3.37Å; G75-V77 VanDerWaalsContact C-N 3.33Å; G75-V77 PolarHBondContact O-N 2.95Å; G75-L78 WeakPolarHBondContact O-CB 3.05Å; G75-L78 PolarHBondContact O-N 3.29Å; G75-L79 PolarHBondContact O-N 3.34Å; G75-T226 PolarHBondContact N-O 3.34Å; G75-L234 WeakPolarHBondContact O-CD1 3.33Å |
| 76 | W | 95.6 | Very high | 94.4 | Very high | 6 Ų | 6 | 22 Ų | 22 | 2% | 0.023 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.2 | -31.9 | 177.3 | -165.9 | -83.4 | 0 | 0 | 0 | 112.5 | A68 A69 Y72 G73 L74 L78 L79 A80 L234 F238 F242 H288 I393 | A68-W76 HydrophobicContact CB-CD2 3.79Å; A68-W76 HydrophobicContact CB-CE3 4.33Å; A68-W76 HydrophobicContact CB-CG 4.26Å; A68-W76 HydrophobicContact CB-CH2 4.2Å; A68-W76 HydrophobicContact CB-CZ2 3.64Å; A69-W76 HydrophobicContact CB-CB 4.21Å; A69-W76 HydrophobicContact CB-CG 4.31Å; Y72-W76 HydrophobicContact CD2-CD2 4.44Å; Y72-W76 AromaticContact CD2-CE3 3.76Å; Y72-W76 HydrophobicContact CD2-CE3 3.76Å; Y72-W76 AromaticContact CD2-CZ3 3.99Å; Y72-W76 HydrophobicContact CD2-CZ3 3.99Å; Y72-W76 HydrophobicContact CE2-CZ3 4.35Å; Y72-W76 HydrophobicContact CG-CE3 4.35Å; G73-W76 WeakPolarHBondContact O-CB 3.18Å; G73-W76 PolarHBondContact O-N 3.26Å; G73-W76 VanDerWaalsContact O-N 3.16Å; L74-W76 PolarHBondContact O-N 3.16Å; W76-L78 VanDerWaalsContact C-N 3.32Å; W76-L79 HydrophobicContact CD2-CD2 4.37Å; W76-L79 HydrophobicContact CE3-CD2 4.24Å; W76-L79 HydrophobicContact CH2-CD2 4.29Å; W76-L79 HydrophobicContact CZ2-CD2 4.4Å; W76-L79 HydrophobicContact CZ3-CD2 4.21Å; W76-L79 PolarHBondContact O-N 3.35Å; W76-A80 WeakPolarHBondContact O-CB 3.48Å; W76-A80 PolarHBondContact O-N 3.4Å; W76-L234 HydrophobicContact CE3-CD2 3.93Å; W76-L234 HydrophobicContact CZ3-CD2 4.19Å; W76-F238 HydrophobicContact CH2-CE1 4.25Å; W76-F238 HydrophobicContact CH2-CZ 4.11Å; W76-F238 AromaticContact CZ3-CE1 3.92Å; W76-F238 HydrophobicContact CZ3-CE1 3.92Å; W76-F238 HydrophobicContact CZ3-CZ 4.06Å; W76-F242 HydrophobicContact CH2-CE1 4.13Å; W76-F242 AromaticContact CH2-CZ 3.75Å; W76-F242 HydrophobicContact CH2-CZ 3.75Å; W76-F242 HydrophobicContact CZ2-CE1 4.05Å; W76-F242 HydrophobicContact CZ2-CZ 4.07Å; W76-H288 AromaticContact CD1-CD2 3.82Å; W76-H288 AromaticContact NE1-CD2 3.92Å; W76-I393 HydrophobicContact CH2-CD1 4.26Å; W76-I393 HydrophobicContact CZ2-CD1 3.56Å |
| 77 | V | 96.7 | Very high | 94.2 | Very high | 7 Ų | 7 | 22.1 Ų | 22.1 | 4% | 0.042 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.1 | -43.3 | 174.1 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | A69 L74 G75 A80 M81 F285 H288 L289 A292 | A69-V77 HydrophobicContact CB-CG2 4.28Å; L74-V77 HydrophobicContact CD2-CG2 4.36Å; L74-V77 WeakPolarHBondContact O-CB 3.41Å; L74-V77 PolarHBondContact O-N 2.96Å; G75-V77 VanDerWaalsContact C-N 3.33Å; G75-V77 PolarHBondContact O-N 2.95Å; V77-A80 PolarHBondContact O-N 2.86Å; V77-M81 WeakPolarHBondContact O-CG 3.44Å; V77-M81 PolarHBondContact O-N 3.16Å; V77-F285 HydrophobicContact CG1-CD2 4.07Å; V77-F285 HydrophobicContact CG1-CE2 4.27Å; V77-H288 HydrophobicContact CG1-CB 4.34Å; V77-H288 HydrophobicContact CG2-CB 4.2Å; V77-L289 HydrophobicContact CG1-CB 4.24Å; V77-A292 HydrophobicContact CG2-CB 3.86Å |
| 78 | L | 94.7 | Very high | 94 | Very high | 115 Ų | 115 | 29 Ų | 29 | 60% | 0.602 | 14% | 0.14 | S | C | * | . | H | α-helix | trans | -62.2 | -43.4 | 174.9 | -64.4 | 174 | 0 | 0 | 0 | 111.7 | L74 G75 W76 A80 M81 | L74-L78 PolarHBondContact O-N 3.32Å; G75-L78 WeakPolarHBondContact O-CB 3.05Å; G75-L78 PolarHBondContact O-N 3.29Å; W76-L78 VanDerWaalsContact C-N 3.32Å; L78-A80 VanDerWaalsContact C-N 3.33Å; L78-A80 PolarHBondContact O-N 3.3Å; L78-M81 PolarHBondContact O-N 3.42Å |
| 79 | L | 94.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.5 | -43.6 | 174.9 | -172.4 | 79.3 | 0 | 0 | 0 | 111.6 | G75 W76 M81 I82 L234 F238 M239 F242 | G75-L79 PolarHBondContact O-N 3.34Å; W76-L79 HydrophobicContact CD2-CD2 4.37Å; W76-L79 HydrophobicContact CE3-CD2 4.24Å; W76-L79 HydrophobicContact CH2-CD2 4.29Å; W76-L79 HydrophobicContact CZ2-CD2 4.4Å; W76-L79 HydrophobicContact CZ3-CD2 4.21Å; W76-L79 PolarHBondContact O-N 3.35Å; L79-M81 PolarHBondContact O-N 2.98Å; L79-I82 HydrophobicContact CD1-CD1 3.68Å; L79-I82 HydrophobicContact CG-CD1 4.31Å; L79-I82 VanDerWaalsContact O-CB 3.27Å; L79-I82 WeakPolarHBondContact O-CB 3.45Å; L79-I82 WeakPolarHBondContact O-CD1 3.48Å; L79-I82 WeakPolarHBondContact O-CG1 3.29Å; L79-I82 PolarHBondContact O-N 3.01Å; L79-I82 VanDerWaalsContact O-N 3.11Å; L79-L234 HydrophobicContact CB-CD2 4.5Å; L79-L234 HydrophobicContact CD2-CD2 3.78Å; L79-F238 HydrophobicContact CD2-CE1 4.04Å; L79-M239 HydrophobicContact CD1-CB 4.14Å; L79-M239 HydrophobicContact CD1-CG 3.96Å; L79-F242 HydrophobicContact CD1-CB 3.94Å; L79-F242 HydrophobicContact CD1-CG 4.36Å; L79-F242 HydrophobicContact CD2-CB 4.31Å; L79-F242 HydrophobicContact CD2-CD1 3.53Å; L79-F242 HydrophobicContact CD2-CD2 4.4Å; L79-F242 HydrophobicContact CD2-CE1 3.86Å; L79-F242 HydrophobicContact CD2-CG 3.82Å; L79-F242 HydrophobicContact CD2-CZ 4.43Å; L79-F242 HydrophobicContact CG-CB 4.35Å; L79-F242 HydrophobicContact CG-CD1 4.07Å; L79-F242 HydrophobicContact CG-CG 4.34Å |
| 80 | A | 94.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 3% | 0.033 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.5 | -30.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | W76 V77 L78 I82 Q83 H288 | W76-A80 WeakPolarHBondContact O-CB 3.48Å; W76-A80 PolarHBondContact O-N 3.4Å; V77-A80 PolarHBondContact O-N 2.86Å; L78-A80 VanDerWaalsContact C-N 3.33Å; L78-A80 PolarHBondContact O-N 3.3Å; A80-I82 PolarHBondContact O-N 3.38Å; A80-Q83 WeakPolarHBondContact O-CB 3.43Å; A80-Q83 PolarHBondContact O-N 3.28Å; A80-Q83 PolarHBondContact O-NE2 2.84Å; A80-Q83 VanDerWaalsContact O-NE2 3.13Å; A80-H288 HydrophobicContact CB-CB 4.29Å; A80-H288 VanDerWaalsContact CB-CD2 3.43Å; A80-H288 WeakPolarHBondContact CB-CD2 3.21Å |
| 81 | M | 95.3 | Very high | 93.1 | Very high | 41 Ų | 41 | 29.9 Ų | 29.9 | 20% | 0.202 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -68 | -15.5 | 178.9 | -62.1 | -45.7 | -63.4 | 0 | 0 | 114 | V77 L78 L79 Q83 L84 M284 F285 | V77-M81 WeakPolarHBondContact O-CG 3.44Å; V77-M81 PolarHBondContact O-N 3.16Å; L78-M81 PolarHBondContact O-N 3.42Å; L79-M81 PolarHBondContact O-N 2.98Å; M81-Q83 PolarHBondContact O-N 3.07Å; M81-Q83 VanDerWaalsContact O-N 3.11Å; M81-L84 HydrophobicContact CB-CD1 4.27Å; M81-L84 HydrophobicContact CE-CD1 3.48Å; M81-L84 VanDerWaalsContact CE-CD1 3.48Å; M81-L84 HydrophobicContact CE-CD2 4.05Å; M81-L84 HydrophobicContact CE-CG 3.71Å; M81-L84 VanDerWaalsContact O-CB 3.28Å; M81-L84 WeakPolarHBondContact O-CB 3.48Å; M81-L84 WeakPolarHBondContact O-CD1 3.07Å; M81-L84 VanDerWaalsContact O-CG 3.3Å; M81-L84 WeakPolarHBondContact O-CG 3.35Å; M81-L84 PolarHBondContact O-N 3.14Å; M81-M284 HydrophobicContact SD-CB 4.45Å; M81-F285 HydrophobicContact CE-CB 3.93Å; M81-F285 VanDerWaalsContact SD-CA 3.59Å; M81-F285 HydrophobicContact SD-CB 3.56Å; M81-F285 VanDerWaalsContact SD-CB 3.56Å; M81-F285 HydrophobicContact SD-CD2 3.96Å; M81-F285 HydrophobicContact SD-CG 4.25Å |
| 82 | I | 93.7 | Very high | 92.8 | Very high | 15 Ų | 15 | 27.6 Ų | 27.6 | 8% | 0.077 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -60.8 | -20 | 173.4 | -66.6 | 162 | 0 | 0 | 0 | 111.7 | L79 A80 L84 P85 W243 C247 | L79-I82 HydrophobicContact CD1-CD1 3.68Å; L79-I82 HydrophobicContact CG-CD1 4.31Å; L79-I82 VanDerWaalsContact O-CB 3.27Å; L79-I82 WeakPolarHBondContact O-CB 3.45Å; L79-I82 WeakPolarHBondContact O-CD1 3.48Å; L79-I82 WeakPolarHBondContact O-CG1 3.29Å; L79-I82 PolarHBondContact O-N 3.01Å; L79-I82 VanDerWaalsContact O-N 3.11Å; A80-I82 PolarHBondContact O-N 3.38Å; I82-L84 VanDerWaalsContact C-N 3.29Å; I82-L84 PolarHBondContact O-N 3.3Å; I82-P85 WeakPolarHBondContact O-CD 3.21Å; I82-W243 HydrophobicContact CB-CD2 4.42Å; I82-W243 HydrophobicContact CB-CZ2 4.36Å; I82-W243 HydrophobicContact CD1-CD2 4.44Å; I82-W243 HydrophobicContact CD1-CG 4.32Å; I82-W243 HydrophobicContact CD1-CZ2 4.39Å; I82-W243 HydrophobicContact CG1-CD2 4.33Å; I82-W243 HydrophobicContact CG1-CZ2 3.77Å; I82-W243 HydrophobicContact CG2-CB 4.39Å; I82-W243 HydrophobicContact CG2-CD2 3.28Å; I82-W243 VanDerWaalsContact CG2-CE2 3.48Å; I82-W243 HydrophobicContact CG2-CE3 3.56Å; I82-W243 HydrophobicContact CG2-CG 3.67Å; I82-W243 HydrophobicContact CG2-CH2 4.15Å; I82-W243 HydrophobicContact CG2-CZ2 3.92Å; I82-W243 HydrophobicContact CG2-CZ3 3.99Å; I82-C247 HydrophobicContact CG2-CB 3.77Å; I82-C247 WeakPolarHBondContact O-CB 3.5Å; I82-C247 PolarHBondContact O-SG 3.28Å |
| 83 | Q | 92.4 | Very high | 92.4 | Very high | 23 Ų | 23 | 29.1 Ų | 29.1 | 11% | 0.107 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -76.1 | -10.9 | 176.7 | -65.7 | 175 | 95.6 | 0 | 0 | 113.8 | Y56 A80 M81 P85 A86 V246 M284 | Y56-Q83 HydrophobicContact CE1-CB 4.39Å; Y56-Q83 WeakPolarHBondContact OH-CB 3.47Å; Y56-Q83 WeakPolarHBondContact OH-CG 3.2Å; Y56-Q83 PolarHBondContact OH-OE1 3.16Å; A80-Q83 WeakPolarHBondContact O-CB 3.43Å; A80-Q83 PolarHBondContact O-N 3.28Å; A80-Q83 PolarHBondContact O-NE2 2.84Å; A80-Q83 VanDerWaalsContact O-NE2 3.13Å; M81-Q83 PolarHBondContact O-N 3.07Å; M81-Q83 VanDerWaalsContact O-N 3.11Å; Q83-P85 VanDerWaalsContact C-CD 3.46Å; Q83-P85 VanDerWaalsContact C-N 3.34Å; Q83-A86 WeakPolarHBondContact O-CB 3.18Å; Q83-A86 PolarHBondContact O-N 3.43Å; Q83-V246 HydrophobicContact CG-CB 3.9Å; Q83-V246 HydrophobicContact CG-CG2 3.7Å; Q83-M284 PolarHBondContact NE2-SD 3.13Å |
| 84 | L | 92 | Very high | 91.8 | Very high | 53 Ų | 53 | 29 Ų | 29 | 28% | 0.277 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | -46.4 | 177.7 | -85.5 | 165.6 | 0 | 0 | 0 | 114 | M81 I82 A86 A281 | M81-L84 HydrophobicContact CB-CD1 4.27Å; M81-L84 HydrophobicContact CE-CD1 3.48Å; M81-L84 VanDerWaalsContact CE-CD1 3.48Å; M81-L84 HydrophobicContact CE-CD2 4.05Å; M81-L84 HydrophobicContact CE-CG 3.71Å; M81-L84 VanDerWaalsContact O-CB 3.28Å; M81-L84 WeakPolarHBondContact O-CB 3.48Å; M81-L84 WeakPolarHBondContact O-CD1 3.07Å; M81-L84 VanDerWaalsContact O-CG 3.3Å; M81-L84 WeakPolarHBondContact O-CG 3.35Å; M81-L84 PolarHBondContact O-N 3.14Å; I82-L84 VanDerWaalsContact C-N 3.29Å; I82-L84 PolarHBondContact O-N 3.3Å; L84-A86 PolarHBondContact O-N 3.06Å; L84-A281 VanDerWaalsContact CD2-CA 3.44Å; L84-A281 HydrophobicContact CD2-CB 3.22Å |
| 85 | P | 91.4 | Very high | 91 | Very high | 41 Ų | 41 | 27.2 Ų | 27.2 | 27% | 0.266 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -75.1 | -6.5 | -179.3 | -14.2 | 32.8 | 0 | 0 | 0 | 113.1 | I82 Q83 V87 W88 L89 | I82-P85 WeakPolarHBondContact O-CD 3.21Å; Q83-P85 VanDerWaalsContact C-CD 3.46Å; Q83-P85 VanDerWaalsContact C-N 3.34Å; P85-V87 PolarHBondContact O-N 3.19Å; P85-W88 HydrophobicContact CB-CE3 4.37Å; P85-W88 CarbonylContact O-C 3.56Å; P85-W88 WeakPolarHBondContact O-CA 3.27Å; P85-W88 WeakPolarHBondContact O-CB 3.4Å; P85-W88 PolarHBondContact O-N 3.21Å; P85-L89 HydrophobicContact CB-CD1 4.19Å; P85-L89 HydrophobicContact CB-CG 4.24Å; P85-L89 WeakPolarHBondContact O-CB 3.39Å; P85-L89 WeakPolarHBondContact O-CG 3.18Å; P85-L89 PolarHBondContact O-N 2.94Å |
| 86 | A | 89 | Confident | 90.4 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 2% | 0.017 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.7 | -43.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y56 Q83 L84 S90 V250 | Y56-A86 HydrophobicContact CE1-CB 4.18Å; Y56-A86 HydrophobicContact CE2-CB 4.37Å; Q83-A86 WeakPolarHBondContact O-CB 3.18Å; Q83-A86 PolarHBondContact O-N 3.43Å; L84-A86 PolarHBondContact O-N 3.06Å; A86-S90 VanDerWaalsContact O-CB 3.28Å; A86-S90 WeakPolarHBondContact O-CB 3.16Å; A86-S90 PolarHBondContact O-N 3.03Å; A86-S90 PolarHBondContact O-OG 2.99Å; A86-V250 HydrophobicContact CB-CB 4.4Å; A86-V250 HydrophobicContact CB-CG1 4.17Å; A86-V250 HydrophobicContact CB-CG2 4.44Å |
| 87 | V | 89.1 | Confident | 89.7 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.5 | -42.2 | 174.8 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | L52 P85 S90 L91 V280 | L52-V87 HydrophobicContact CD2-CB 4.31Å; L52-V87 HydrophobicContact CD2-CG1 3.76Å; L52-V87 HydrophobicContact CD2-CG2 4.01Å; P85-V87 PolarHBondContact O-N 3.19Å; V87-S90 WeakPolarHBondContact CA-OG 3.48Å; V87-S90 PolarHBondContact O-OG 2.85Å; V87-S90 VanDerWaalsContact O-OG 3.14Å; V87-L91 HydrophobicContact CG1-CD1 3.95Å; V87-L91 WeakPolarHBondContact O-CB 3.41Å; V87-L91 PolarHBondContact O-N 2.92Å; V87-V280 HydrophobicContact CG2-CG2 3.73Å |
| 88 | W | 90.9 | Very high | 88.9 | Confident | 146 Ų | 146 | 37 Ų | 37 | 55% | 0.553 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -64.9 | -44 | 179.3 | 174.8 | 87.6 | 0 | 0 | 0 | 111.9 | P85 G92 I273 | P85-W88 HydrophobicContact CB-CE3 4.37Å; P85-W88 CarbonylContact O-C 3.56Å; P85-W88 WeakPolarHBondContact O-CA 3.27Å; P85-W88 WeakPolarHBondContact O-CB 3.4Å; P85-W88 PolarHBondContact O-N 3.21Å; W88-G92 VanDerWaalsContact O-CA 3.25Å; W88-G92 WeakPolarHBondContact O-CA 3.43Å; W88-G92 PolarHBondContact O-N 3.22Å; W88-I273 HydrophobicContact CB-CG2 4.26Å; W88-I273 HydrophobicContact CG-CG2 4.27Å |
| 89 | L | 90.3 | Very high | 88.1 | Confident | 16 Ų | 16 | 31.5 Ų | 31.5 | 8% | 0.084 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.1 | -50.9 | 176.2 | -75.2 | 173.9 | 0 | 0 | 0 | 111.1 | P85 G92 I93 F248 I251 | P85-L89 HydrophobicContact CB-CD1 4.19Å; P85-L89 HydrophobicContact CB-CG 4.24Å; P85-L89 WeakPolarHBondContact O-CB 3.39Å; P85-L89 WeakPolarHBondContact O-CG 3.18Å; P85-L89 PolarHBondContact O-N 2.94Å; L89-G92 PolarHBondContact O-N 3.04Å; L89-I93 HydrophobicContact CB-CD1 4.44Å; L89-I93 HydrophobicContact CD2-CD1 3.87Å; L89-I93 WeakPolarHBondContact O-CB 3.49Å; L89-I93 WeakPolarHBondContact O-CG1 3.16Å; L89-I93 PolarHBondContact O-N 3.43Å; L89-F248 HydrophobicContact CD1-CD1 3.92Å; L89-F248 HydrophobicContact CD1-CE1 4.2Å; L89-I251 HydrophobicContact CB-CD1 4.15Å; L89-I251 HydrophobicContact CB-CG1 4.06Å |
| 90 | S | 87.9 | Confident | 87.1 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -63.1 | -51.4 | -177.6 | 54.7 | 0 | 0 | 0 | 0 | 112.4 | A86 V87 L94 G95 | A86-S90 VanDerWaalsContact O-CB 3.28Å; A86-S90 WeakPolarHBondContact O-CB 3.16Å; A86-S90 PolarHBondContact O-N 3.03Å; A86-S90 PolarHBondContact O-OG 2.99Å; V87-S90 WeakPolarHBondContact CA-OG 3.48Å; V87-S90 PolarHBondContact O-OG 2.85Å; V87-S90 VanDerWaalsContact O-OG 3.14Å; S90-L94 WeakPolarHBondContact O-CA 3.32Å; S90-L94 VanDerWaalsContact O-CB 3.25Å; S90-L94 WeakPolarHBondContact O-CB 3.36Å; S90-L94 PolarHBondContact O-N 3.08Å; S90-G95 PolarHBondContact O-N 3.07Å |
| 91 | L | 87.8 | Confident | 86.1 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | -72.6 | -31.5 | 178 | -71.6 | 177.9 | 0 | 0 | 0 | 112.8 | L48 L52 V87 G95 V269 I273 | L48-L91 HydrophobicContact CD2-CD1 4.42Å; L48-L91 HydrophobicContact CD2-CD2 4.28Å; L52-L91 HydrophobicContact CD2-CD1 3.75Å; L52-L91 HydrophobicContact CD2-CD2 4.23Å; L52-L91 HydrophobicContact CD2-CG 3.77Å; V87-L91 HydrophobicContact CG1-CD1 3.95Å; V87-L91 WeakPolarHBondContact O-CB 3.41Å; V87-L91 PolarHBondContact O-N 2.92Å; L91-G95 WeakPolarHBondContact O-CA 3.39Å; L91-G95 PolarHBondContact O-N 3.26Å; L91-V269 HydrophobicContact CB-CG1 4.31Å; L91-I273 HydrophobicContact CB-CD1 3.99Å; L91-I273 HydrophobicContact CB-CG1 3.5Å; L91-I273 VanDerWaalsContact CB-CG1 3.5Å; L91-I273 HydrophobicContact CD1-CG1 3.8Å; L91-I273 HydrophobicContact CG-CG1 4.32Å |
| 92 | G | 88.2 | Confident | 85.2 | Confident | 41 Ų | 41 | 34.3 Ų | 34.3 | 42% | 0.423 | 17% | 0.172 | S | C | . | . | I | π-helix | trans | -70.5 | -47.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | W88 L89 | W88-G92 VanDerWaalsContact O-CA 3.25Å; W88-G92 WeakPolarHBondContact O-CA 3.43Å; W88-G92 PolarHBondContact O-N 3.22Å; L89-G92 PolarHBondContact O-N 3.04Å |
| 93 | I | 87.6 | Confident | 84.3 | Confident | 50 Ų | 50 | 38.4 Ų | 38.4 | 26% | 0.256 | 19% | 0.186 | S | C | . | . | I | π-helix | trans | -83.1 | -47.1 | -177.1 | -62.8 | 168.1 | 0 | 0 | 0 | 110.8 | L89 I251 Y416 | L89-I93 HydrophobicContact CB-CD1 4.44Å; L89-I93 HydrophobicContact CD2-CD1 3.87Å; L89-I93 WeakPolarHBondContact O-CB 3.49Å; L89-I93 WeakPolarHBondContact O-CG1 3.16Å; L89-I93 PolarHBondContact O-N 3.43Å; I93-I251 HydrophobicContact CD1-CD1 3.51Å; I93-I251 HydrophobicContact CD1-CG1 4.37Å; I93-I251 HydrophobicContact CG2-CG2 4.32Å; I93-Y416 HydrophobicContact CG2-CD2 4.46Å; I93-Y416 HydrophobicContact CG2-CE2 3.68Å; I93-Y416 WeakPolarHBondContact O-CE2 3.3Å; I93-Y416 PolarHBondContact O-OH 2.85Å |
| 94 | L | 84.7 | Confident | 83.2 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -88.3 | -44.1 | -178.4 | -55.7 | -177.4 | 0 | 0 | 0 | 111.9 | S90 K96 K97 F98 I251 A257 C260 L415 | S90-L94 WeakPolarHBondContact O-CA 3.32Å; S90-L94 VanDerWaalsContact O-CB 3.25Å; S90-L94 WeakPolarHBondContact O-CB 3.36Å; S90-L94 PolarHBondContact O-N 3.08Å; L94-K96 PolarHBondContact O-N 3.48Å; L94-K97 PolarHBondContact O-N 3Å; L94-F98 HydrophobicContact CB-CB 4.22Å; L94-F98 WeakPolarHBondContact O-CB 3.33Å; L94-F98 PolarHBondContact O-N 2.73Å; L94-I251 HydrophobicContact CD1-CG2 4.12Å; L94-I251 VanDerWaalsContact CD1-O 3.24Å; L94-I251 WeakPolarHBondContact CD1-O 3.47Å; L94-I251 HydrophobicContact CD2-CG2 4Å; L94-I251 HydrophobicContact CG-CG2 3.93Å; L94-A257 HydrophobicContact CD1-CB 4.03Å; L94-C260 HydrophobicContact CB-CB 4.49Å; L94-L415 HydrophobicContact CD2-CD1 3.37Å |
| 95 | G | 80 | Confident | 82.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -44.1 | -51 | -164.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | S90 L91 A99 Y263 | S90-G95 PolarHBondContact O-N 3.07Å; L91-G95 WeakPolarHBondContact O-CA 3.39Å; L91-G95 PolarHBondContact O-N 3.26Å; G95-A99 VanDerWaalsContact O-CB 3.27Å; G95-A99 WeakPolarHBondContact O-CB 3.49Å; G95-A99 PolarHBondContact O-N 3.41Å; G95-Y263 WeakPolarHBondContact O-CE1 3.39Å; G95-Y263 PolarHBondContact O-OH 2.77Å |
| 96 | K | 82.5 | Confident | 81.4 | Confident | 137 Ų | 137 | 47.1 Ų | 47.1 | 60% | 0.596 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -72.7 | -60.5 | -177.4 | -169 | 177.5 | -179.9 | -175.3 | 0 | 112.7 | L94 F98 A99 I100 | L94-K96 PolarHBondContact O-N 3.48Å; K96-F98 VanDerWaalsContact C-N 3.35Å; K96-F98 PolarHBondContact O-N 2.84Å; K96-A99 PolarHBondContact O-N 3.44Å; K96-I100 HydrophobicContact CG-CD1 4.06Å; K96-I100 WeakPolarHBondContact O-CG1 3.5Å; K96-I100 PolarHBondContact O-N 3.43Å |
| 97 | K | 80.6 | Confident | 80.9 | Confident | 79 Ų | 79 | 47 Ų | 47 | 34% | 0.343 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.7 | -41.3 | -175.1 | -74 | -155.6 | 176.2 | -160 | 0 | 112.1 | L94 A99 I100 L101 L415 Y416 | L94-K97 PolarHBondContact O-N 3Å; K97-A99 PolarHBondContact O-N 3.08Å; K97-I100 PolarHBondContact O-N 3Å; K97-L101 PolarHBondContact O-N 3.18Å; K97-L101 VanDerWaalsContact O-N 3.12Å; K97-L415 HydrophobicContact CB-CD2 4.44Å; K97-L415 WeakPolarHBondContact CD-O 3.35Å; K97-L415 PolarHBondContact NZ-O 3.32Å; K97-Y416 HydrophobicContact CD-CD1 4Å; K97-Y416 HydrophobicContact CD-CE1 3.54Å; K97-Y416 HydrophobicContact CD-CE2 4.32Å; K97-Y416 HydrophobicContact CG-CE1 4.28Å |
| 98 | F | 80 | Confident | 80.3 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.4 | -41.9 | -179 | -141.5 | -111.4 | 0 | 0 | 0 | 111.4 | L94 K96 A102 L110 M113 A257 I261 L411 L415 | L94-F98 HydrophobicContact CB-CB 4.22Å; L94-F98 WeakPolarHBondContact O-CB 3.33Å; L94-F98 PolarHBondContact O-N 2.73Å; K96-F98 VanDerWaalsContact C-N 3.35Å; K96-F98 PolarHBondContact O-N 2.84Å; F98-A102 VanDerWaalsContact O-CB 3.24Å; F98-A102 WeakPolarHBondContact O-CB 3.13Å; F98-A102 PolarHBondContact O-N 3.3Å; F98-L110 HydrophobicContact CE1-CD1 3.85Å; F98-L110 HydrophobicContact CE2-CD1 4.3Å; F98-L110 HydrophobicContact CZ-CD1 3.31Å; F98-M113 HydrophobicContact CD1-CE 4.36Å; F98-M113 HydrophobicContact CD2-CE 3.88Å; F98-M113 HydrophobicContact CE1-CE 4.25Å; F98-M113 HydrophobicContact CE1-CG 4.01Å; F98-M113 HydrophobicContact CE2-CB 4.29Å; F98-M113 HydrophobicContact CE2-CE 3.8Å; F98-M113 HydrophobicContact CE2-CG 4.48Å; F98-M113 HydrophobicContact CG-CE 4.11Å; F98-M113 HydrophobicContact CZ-CB 3.78Å; F98-M113 HydrophobicContact CZ-CE 3.92Å; F98-M113 HydrophobicContact CZ-CG 3.77Å; F98-M113 WeakPolarHBondContact O-CE 3.28Å; F98-A257 HydrophobicContact CE1-CB 4.11Å; F98-I261 HydrophobicContact CB-CG2 4.47Å; F98-I261 HydrophobicContact CD1-CG2 3.47Å; F98-I261 VanDerWaalsContact CD1-CG2 3.47Å; F98-I261 HydrophobicContact CE1-CG2 4.11Å; F98-I261 HydrophobicContact CG-CG2 4.35Å; F98-L411 HydrophobicContact CE2-CD2 4.13Å; F98-L411 HydrophobicContact CZ-CD2 4.24Å; F98-L415 HydrophobicContact CD2-CD1 3.49Å; F98-L415 VanDerWaalsContact CD2-CD1 3.49Å; F98-L415 HydrophobicContact CD2-CD2 3.59Å; F98-L415 HydrophobicContact CD2-CG 4.06Å; F98-L415 HydrophobicContact CE2-CD1 3.96Å; F98-L415 HydrophobicContact CE2-CD2 4.06Å; F98-L415 HydrophobicContact CE2-CG 4.36Å |
| 99 | A | 78 | Confident | 80 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.1 | -35.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G95 K96 K97 A102 R103 Y263 | G95-A99 VanDerWaalsContact O-CB 3.27Å; G95-A99 WeakPolarHBondContact O-CB 3.49Å; G95-A99 PolarHBondContact O-N 3.41Å; K96-A99 PolarHBondContact O-N 3.44Å; K97-A99 PolarHBondContact O-N 3.08Å; A99-A102 PolarHBondContact O-N 3.37Å; A99-R103 WeakPolarHBondContact O-CB 3.48Å; A99-R103 WeakPolarHBondContact O-CD 3.44Å; A99-R103 WeakPolarHBondContact O-CG 3.24Å; A99-R103 PolarHBondContact O-N 3.37Å; A99-Y263 HydrophobicContact CB-CD1 4.48Å; A99-Y263 HydrophobicContact CB-CE1 3.46Å; A99-Y263 VanDerWaalsContact CB-CE1 3.46Å; A99-Y263 HydrophobicContact CB-CE2 4.29Å; A99-Y263 WeakPolarHBondContact CB-OH 3.18Å |
| 100 | I | 74.6 | Confident | 79.8 | Confident | 85 Ų | 85 | 40 Ų | 40 | 44% | 0.436 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.7 | -51.4 | 176.5 | -69.1 | 166.1 | 0 | 0 | 0 | 109.8 | K96 K97 A102 R103 R104 | K96-I100 HydrophobicContact CG-CD1 4.06Å; K96-I100 WeakPolarHBondContact O-CG1 3.5Å; K96-I100 PolarHBondContact O-N 3.43Å; K97-I100 PolarHBondContact O-N 3Å; I100-A102 PolarHBondContact O-N 3.02Å; I100-R103 PolarHBondContact O-N 2.88Å; I100-R104 PolarHBondContact O-N 2.86Å |
| 101 | L | 72.5 | Confident | 79.9 | Confident | 21 Ų | 21 | 40 Ų | 40 | 11% | 0.11 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.5 | -42.5 | 178.4 | -69.8 | 168.8 | 0 | 0 | 0 | 111.3 | K97 R103 R104 Y105 M113 L415 | K97-L101 PolarHBondContact O-N 3.18Å; K97-L101 VanDerWaalsContact O-N 3.12Å; L101-R103 VanDerWaalsContact C-N 3.26Å; L101-R103 PolarHBondContact O-N 3.39Å; L101-R104 PolarHBondContact O-N 3.47Å; L101-R104 VanDerWaalsContact O-N 3.16Å; L101-Y105 HydrophobicContact CB-CD2 4.47Å; L101-Y105 HydrophobicContact CD2-CE2 3.89Å; L101-Y105 VanDerWaalsContact O-CD2 3.23Å; L101-Y105 WeakPolarHBondContact O-CD2 3.33Å; L101-Y105 PolarHBondContact O-N 3.34Å; L101-M113 HydrophobicContact CB-CE 3.29Å; L101-M113 HydrophobicContact CB-SD 4.11Å; L101-M113 HydrophobicContact CD1-CE 4.11Å; L101-M113 HydrophobicContact CG-CE 4.36Å; L101-L415 HydrophobicContact CD1-CD2 3.44Å; L101-L415 VanDerWaalsContact CD1-CD2 3.44Å |
| 102 | A | 76.3 | Confident | 79.7 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.1 | -34.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R41 F98 A99 I100 N106 A107 M113 I261 | R41-A102 VanDerWaalsContact NH2-C 3.29Å; R41-A102 PolarHBondContact NH2-O 2.58Å; F98-A102 VanDerWaalsContact O-CB 3.24Å; F98-A102 WeakPolarHBondContact O-CB 3.13Å; F98-A102 PolarHBondContact O-N 3.3Å; A99-A102 PolarHBondContact O-N 3.37Å; I100-A102 PolarHBondContact O-N 3.02Å; A102-N106 CarbonylContact O-C 3.57Å; A102-N106 WeakPolarHBondContact O-CA 3.42Å; A102-N106 PolarHBondContact O-N 2.81Å; A102-N106 VanDerWaalsContact O-N 3.12Å; A102-A107 HydrophobicContact CB-CB 4.05Å; A102-A107 PolarHBondContact O-N 3.49Å; A102-M113 WeakPolarHBondContact CA-SD 3.32Å; A102-M113 HydrophobicContact CB-CE 4.42Å; A102-M113 HydrophobicContact CB-SD 3.68Å; A102-M113 PolarHBondContact N-SD 3.03Å; A102-M113 VanDerWaalsContact N-SD 3.4Å; A102-I261 HydrophobicContact CB-CB 3.93Å; A102-I261 HydrophobicContact CB-CD1 4.41Å; A102-I261 HydrophobicContact CB-CG2 3.58Å |
| 103 | R | 73.7 | Confident | 79.6 | Confident | 101 Ų | 101 | 40.2 Ų | 40.2 | 38% | 0.381 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -68.7 | -44.7 | 173.8 | -72.3 | 163.8 | -172.7 | -166.9 | -3.8 | 111.6 | R41 A99 I100 L101 N106 Y263 K264 | R41-R103 VanDerWaalsContact NH1-CG 3.34Å; A99-R103 WeakPolarHBondContact O-CB 3.48Å; A99-R103 WeakPolarHBondContact O-CD 3.44Å; A99-R103 WeakPolarHBondContact O-CG 3.24Å; A99-R103 PolarHBondContact O-N 3.37Å; I100-R103 PolarHBondContact O-N 2.88Å; L101-R103 VanDerWaalsContact C-N 3.26Å; L101-R103 PolarHBondContact O-N 3.39Å; R103-N106 PolarHBondContact O-N 3.23Å; R103-Y263 PolarHBondContact NH2-O 3.23Å; R103-K264 PolarHBondContact NH2-O 2.84Å |
| 104 | R | 70.1 | Confident | 79.7 | Confident | 105 Ų | 105 | 38 Ų | 38 | 40% | 0.396 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58.7 | -50.3 | 177.6 | -177.3 | -179.5 | -72.7 | -163.8 | -5.1 | 112.2 | I100 L101 N106 | I100-R104 PolarHBondContact O-N 2.86Å; L101-R104 PolarHBondContact O-N 3.47Å; L101-R104 VanDerWaalsContact O-N 3.16Å; R104-N106 VanDerWaalsContact C-N 3.34Å; R104-N106 PolarHBondContact O-N 3.16Å |
| 105 | Y | 72.3 | Confident | 79.8 | Confident | 104 Ų | 104 | 41.3 Ų | 41.3 | 41% | 0.408 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 8 | -175.9 | -60.8 | -71.5 | 0 | 0 | 0 | 114 | L101 A107 A116 | L101-Y105 HydrophobicContact CB-CD2 4.47Å; L101-Y105 HydrophobicContact CD2-CE2 3.89Å; L101-Y105 VanDerWaalsContact O-CD2 3.23Å; L101-Y105 WeakPolarHBondContact O-CD2 3.33Å; L101-Y105 PolarHBondContact O-N 3.34Å; Y105-A107 PolarHBondContact O-N 3.49Å; Y105-A107 VanDerWaalsContact O-N 3.08Å; Y105-A116 HydrophobicContact CD1-CB 3.88Å; Y105-A116 HydrophobicContact CD2-CB 3.59Å; Y105-A116 HydrophobicContact CE1-CB 4.17Å; Y105-A116 HydrophobicContact CE2-CB 3.91Å; Y105-A116 HydrophobicContact CG-CB 3.59Å |
| 106 | N | 72.8 | Confident | 79.8 | Confident | 91 Ų | 91 | 42 Ų | 42 | 49% | 0.487 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 38.1 | -173 | -153.3 | 14 | 0 | 0 | 0 | 112.8 | A102 R103 R104 | A102-N106 CarbonylContact O-C 3.57Å; A102-N106 WeakPolarHBondContact O-CA 3.42Å; A102-N106 PolarHBondContact O-N 2.81Å; A102-N106 VanDerWaalsContact O-N 3.12Å; R103-N106 PolarHBondContact O-N 3.23Å; R104-N106 VanDerWaalsContact C-N 3.34Å; R104-N106 PolarHBondContact O-N 3.16Å |
| 107 | A | 78.7 | Confident | 79.9 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | trans | -68.7 | 138.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | R41 A102 Y105 D112 M113 | R41-A107 PolarHBondContact NH2-O 2.87Å; A102-A107 HydrophobicContact CB-CB 4.05Å; A102-A107 PolarHBondContact O-N 3.49Å; Y105-A107 PolarHBondContact O-N 3.49Å; Y105-A107 VanDerWaalsContact O-N 3.08Å; A107-D112 HydrophobicContact CB-CB 3.65Å; A107-M113 HydrophobicContact CB-CG 3.83Å; A107-M113 HydrophobicContact CB-SD 3.58Å; A107-M113 VanDerWaalsContact CB-SD 3.58Å | ||
| 108 | V | 76 | Confident | 80.1 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.024 | 16% | 0.157 | C | C | . | . | trans | -113.4 | -38.6 | 179.7 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | N34 F37 L38 D112 K349 | N34-V108 VanDerWaalsContact OD1-CG2 3.31Å; N34-V108 WeakPolarHBondContact OD1-CG2 3.38Å; F37-V108 HydrophobicContact CB-CG1 3.49Å; F37-V108 VanDerWaalsContact CB-CG1 3.49Å; F37-V108 HydrophobicContact CD2-CG1 4.21Å; F37-V108 HydrophobicContact CG-CG1 4.23Å; L38-V108 HydrophobicContact CD1-CB 4.14Å; L38-V108 HydrophobicContact CD1-CG1 4.2Å; L38-V108 HydrophobicContact CD1-CG2 3.86Å; L38-V108 HydrophobicContact CG-CB 4.48Å; L38-V108 HydrophobicContact CG-CG1 4.12Å; V108-D112 WeakPolarHBondContact CA-OD2 3.33Å; V108-D112 PolarHBondContact N-OD2 3.1Å; V108-K349 HydrophobicContact CB-CD 3.88Å; V108-K349 VanDerWaalsContact CB-NZ 3.27Å; V108-K349 HydrophobicContact CG1-CD 4.39Å; V108-K349 HydrophobicContact CG2-CD 4.41Å | ||
| 109 | T | 86.3 | Confident | 80.2 | Confident | 7 Ų | 7 | 40.9 Ų | 40.9 | 4% | 0.043 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -108.6 | 162.8 | 178.5 | 63.2 | 0 | 0 | 0 | 0 | 111.2 | N111 D112 A345 K349 D350 | T109-N111 PolarHBondContact O-N 3.32Å; T109-N111 PolarHBondContact OG1-N 3.48Å; T109-D112 PolarHBondContact N-OD2 2.82Å; T109-D112 PolarHBondContact O-N 2.78Å; T109-D112 VanDerWaalsContact OG1-CG 3.28Å; T109-D112 PolarHBondContact OG1-N 3.3Å; T109-D112 VanDerWaalsContact OG1-N 3.13Å; T109-D112 PolarHBondContact OG1-OD2 3.26Å; T109-A345 HydrophobicContact CG2-CB 3.94Å; T109-K349 HydrophobicContact CG2-CB 4.23Å; T109-K349 HydrophobicContact CG2-CD 3.99Å; T109-D350 WeakPolarHBondContact CB-OD1 3.39Å; T109-D350 WeakPolarHBondContact CG2-OD1 3.41Å; T109-D350 PolarHBondContact OG1-OD1 3.28Å |
| 110 | L | 85.5 | Confident | 80.5 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.5 | -36 | 167.8 | 179.9 | 65.8 | 0 | 0 | 0 | 111.3 | F98 M113 L114 P254 A257 V258 F407 L411 | F98-L110 HydrophobicContact CE1-CD1 3.85Å; F98-L110 HydrophobicContact CE2-CD1 4.3Å; F98-L110 HydrophobicContact CZ-CD1 3.31Å; L110-M113 VanDerWaalsContact O-CB 3.28Å; L110-M113 WeakPolarHBondContact O-CB 3.43Å; L110-M113 PolarHBondContact O-N 3.19Å; L110-M113 VanDerWaalsContact O-N 3.11Å; L110-L114 HydrophobicContact CG-CD1 4.36Å; L110-L114 PolarHBondContact O-N 2.9Å; L110-P254 HydrophobicContact CD2-CB 3.49Å; L110-P254 VanDerWaalsContact CD2-CB 3.49Å; L110-P254 HydrophobicContact CD2-CG 3.65Å; L110-A257 HydrophobicContact CD1-CB 4.06Å; L110-V258 HydrophobicContact CB-CG2 4.46Å; L110-F407 HydrophobicContact CD2-CD1 3.78Å; L110-F407 HydrophobicContact CD2-CE1 3.75Å; L110-L411 HydrophobicContact CD1-CD1 4.3Å; L110-L411 HydrophobicContact CD1-CD2 3.33Å; L110-L411 HydrophobicContact CD1-CG 4.44Å; L110-L411 HydrophobicContact CD2-CD1 4.29Å; L110-L411 HydrophobicContact CD2-CD2 4.3Å; L110-L411 HydrophobicContact CG-CD2 4.18Å |
| 111 | N | 88.9 | Confident | 81 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.3 | -30.1 | -176.2 | -70.1 | -26.2 | 0 | 0 | 0 | 112.7 | T109 M113 L114 F115 V124 A127 S128 D350 | T109-N111 PolarHBondContact O-N 3.32Å; T109-N111 PolarHBondContact OG1-N 3.48Å; N111-M113 PolarHBondContact O-N 2.99Å; N111-L114 PolarHBondContact O-N 2.9Å; N111-F115 VanDerWaalsContact O-CB 3.31Å; N111-F115 WeakPolarHBondContact O-CB 3.43Å; N111-F115 PolarHBondContact O-N 3.02Å; N111-V124 HydrophobicContact CB-CG1 4.07Å; N111-A127 VanDerWaalsContact OD1-CB 3.3Å; N111-A127 WeakPolarHBondContact OD1-CB 3.2Å; N111-S128 PolarHBondContact ND2-OG 2.85Å; N111-D350 HydrophobicContact CB-CB 4.08Å; N111-D350 VanDerWaalsContact CB-CG 3.47Å; N111-D350 WeakPolarHBondContact CB-OD2 3.23Å; N111-D350 PolarHBondContact ND2-OD2 3.08Å |
| 112 | D | 84.7 | Confident | 81.8 | Confident | 36 Ų | 36 | 49.3 Ų | 49.3 | 19% | 0.193 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.3 | -38.6 | 168.4 | -65.1 | -45.6 | 0 | 0 | 0 | 111.3 | A107 V108 T109 F115 A116 K349 | A107-D112 HydrophobicContact CB-CB 3.65Å; V108-D112 WeakPolarHBondContact CA-OD2 3.33Å; V108-D112 PolarHBondContact N-OD2 3.1Å; T109-D112 PolarHBondContact N-OD2 2.82Å; T109-D112 PolarHBondContact O-N 2.78Å; T109-D112 VanDerWaalsContact OG1-CG 3.28Å; T109-D112 PolarHBondContact OG1-N 3.3Å; T109-D112 VanDerWaalsContact OG1-N 3.13Å; T109-D112 PolarHBondContact OG1-OD2 3.26Å; D112-F115 PolarHBondContact O-N 3.19Å; D112-A116 VanDerWaalsContact O-CB 3.24Å; D112-A116 WeakPolarHBondContact O-CB 3.44Å; D112-A116 PolarHBondContact O-N 3.48Å; D112-K349 VanDerWaalsContact CG-NZ 3.28Å; D112-K349 WeakPolarHBondContact OD1-CE 3.39Å; D112-K349 IonicContact OD1-NZ 3.71Å; D112-K349 PolarHBondContact OD1-NZ 3.05Å; D112-K349 VanDerWaalsContact OD2-CE 3.27Å; D112-K349 WeakPolarHBondContact OD2-CE 3.21Å; D112-K349 IonicContact OD2-NZ 3.82Å; D112-K349 PolarHBondContact OD2-NZ 2.79Å |
| 113 | M | 85.5 | Confident | 82.5 | Confident | 10 Ų | 10 | 49.3 Ų | 49.3 | 5% | 0.049 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.4 | -43.2 | 179.7 | -64.5 | -73.1 | -64.3 | 0 | 0 | 111.5 | F98 L101 A102 A107 L110 N111 F115 A116 R117 | F98-M113 HydrophobicContact CD1-CE 4.36Å; F98-M113 HydrophobicContact CD2-CE 3.88Å; F98-M113 HydrophobicContact CE1-CE 4.25Å; F98-M113 HydrophobicContact CE1-CG 4.01Å; F98-M113 HydrophobicContact CE2-CB 4.29Å; F98-M113 HydrophobicContact CE2-CE 3.8Å; F98-M113 HydrophobicContact CE2-CG 4.48Å; F98-M113 HydrophobicContact CG-CE 4.11Å; F98-M113 HydrophobicContact CZ-CB 3.78Å; F98-M113 HydrophobicContact CZ-CE 3.92Å; F98-M113 HydrophobicContact CZ-CG 3.77Å; F98-M113 WeakPolarHBondContact O-CE 3.28Å; L101-M113 HydrophobicContact CB-CE 3.29Å; L101-M113 HydrophobicContact CB-SD 4.11Å; L101-M113 HydrophobicContact CD1-CE 4.11Å; L101-M113 HydrophobicContact CG-CE 4.36Å; A102-M113 WeakPolarHBondContact CA-SD 3.32Å; A102-M113 HydrophobicContact CB-CE 4.42Å; A102-M113 HydrophobicContact CB-SD 3.68Å; A102-M113 PolarHBondContact N-SD 3.03Å; A102-M113 VanDerWaalsContact N-SD 3.4Å; A107-M113 HydrophobicContact CB-CG 3.83Å; A107-M113 HydrophobicContact CB-SD 3.58Å; A107-M113 VanDerWaalsContact CB-SD 3.58Å; L110-M113 VanDerWaalsContact O-CB 3.28Å; L110-M113 WeakPolarHBondContact O-CB 3.43Å; L110-M113 PolarHBondContact O-N 3.19Å; L110-M113 VanDerWaalsContact O-N 3.11Å; N111-M113 PolarHBondContact O-N 2.99Å; M113-F115 VanDerWaalsContact C-N 3.32Å; M113-A116 PolarHBondContact O-N 2.8Å; M113-R117 WeakPolarHBondContact O-CB 3.34Å; M113-R117 PolarHBondContact O-N 3.05Å |
| 114 | L | 89.5 | Confident | 83.4 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.3 | -41 | 174.5 | -68.2 | 176.5 | 0 | 0 | 0 | 111 | L110 N111 R117 Y118 L123 A127 F407 P410 L411 | L110-L114 HydrophobicContact CG-CD1 4.36Å; L110-L114 PolarHBondContact O-N 2.9Å; N111-L114 PolarHBondContact O-N 2.9Å; L114-R117 PolarHBondContact O-N 3.28Å; L114-Y118 HydrophobicContact CD2-CD2 4.24Å; L114-Y118 HydrophobicContact CD2-CE2 4Å; L114-Y118 WeakPolarHBondContact O-CB 3.31Å; L114-Y118 WeakPolarHBondContact O-CD2 3.29Å; L114-Y118 PolarHBondContact O-N 3.11Å; L114-L123 HydrophobicContact CB-CD2 3.68Å; L114-L123 HydrophobicContact CD1-CD2 4.07Å; L114-L123 HydrophobicContact CG-CD2 4.31Å; L114-A127 HydrophobicContact CD1-CB 4Å; L114-F407 HydrophobicContact CD1-CD1 4.2Å; L114-F407 HydrophobicContact CD1-CE1 3.9Å; L114-P410 HydrophobicContact CD2-CB 4.41Å; L114-L411 HydrophobicContact CD2-CD2 3.92Å |
| 115 | F | 86.9 | Confident | 84.3 | Confident | 70 Ų | 70 | 46 Ų | 46 | 31% | 0.307 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.6 | -47.2 | 175 | -171.2 | -108.5 | 0 | 0 | 0 | 111.5 | N111 D112 M113 R117 Y118 Q119 R121 V124 | N111-F115 VanDerWaalsContact O-CB 3.31Å; N111-F115 WeakPolarHBondContact O-CB 3.43Å; N111-F115 PolarHBondContact O-N 3.02Å; D112-F115 PolarHBondContact O-N 3.19Å; M113-F115 VanDerWaalsContact C-N 3.32Å; F115-R117 PolarHBondContact O-N 3.46Å; F115-Y118 PolarHBondContact O-N 3.32Å; F115-Q119 WeakPolarHBondContact O-CA 3.34Å; F115-Q119 PolarHBondContact O-N 3.31Å; F115-Q119 PolarHBondContact O-NE2 3.2Å; F115-R121 HydrophobicContact CE2-CG 3.84Å; F115-V124 HydrophobicContact CB-CG2 3.66Å; F115-V124 HydrophobicContact CD2-CG2 3.89Å; F115-V124 HydrophobicContact CG-CG2 4.19Å |
| 116 | A | 80.9 | Confident | 85.3 | Confident | 13 Ų | 13 | 43 Ų | 43 | 11% | 0.107 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.7 | -38.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y105 D112 M113 Q119 | Y105-A116 HydrophobicContact CD1-CB 3.88Å; Y105-A116 HydrophobicContact CD2-CB 3.59Å; Y105-A116 HydrophobicContact CE1-CB 4.17Å; Y105-A116 HydrophobicContact CE2-CB 3.91Å; Y105-A116 HydrophobicContact CG-CB 3.59Å; D112-A116 VanDerWaalsContact O-CB 3.24Å; D112-A116 WeakPolarHBondContact O-CB 3.44Å; D112-A116 PolarHBondContact O-N 3.48Å; M113-A116 PolarHBondContact O-N 2.8Å; A116-Q119 PolarHBondContact O-NE2 3.27Å |
| 117 | R | 83.6 | Confident | 86.3 | Confident | 57 Ų | 57 | 38.6 Ų | 38.6 | 22% | 0.215 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -78.7 | -40.3 | -179.2 | 178.3 | 56.6 | -175.2 | 94.3 | -8.9 | 114.2 | M113 L114 F115 G414 W417 E418 A420 | M113-R117 WeakPolarHBondContact O-CB 3.34Å; M113-R117 PolarHBondContact O-N 3.05Å; L114-R117 PolarHBondContact O-N 3.28Å; F115-R117 PolarHBondContact O-N 3.46Å; R117-G414 VanDerWaalsContact CD-O 3.29Å; R117-G414 WeakPolarHBondContact CD-O 3.5Å; R117-G414 PolarHBondContact NE-O 3.46Å; R117-W417 PolarHBondContact NH2-O 2.95Å; R117-W417 VanDerWaalsContact NH2-O 3.15Å; R117-E418 PolarHBondContact NH2-O 2.97Å; R117-A420 PolarHBondContact NH1-O 2.88Å; R117-A420 PolarHBondContact NH2-O 3.46Å |
| 118 | Y | 85.6 | Confident | 87 | Confident | 13 Ų | 13 | 38.6 Ų | 38.6 | 5% | 0.051 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -110.5 | -9.6 | -169.5 | -65.6 | -65.9 | 0 | 0 | 0 | 114 | L114 F115 S120 L123 P410 G414 A420 N421 A425 | L114-Y118 HydrophobicContact CD2-CD2 4.24Å; L114-Y118 HydrophobicContact CD2-CE2 4Å; L114-Y118 WeakPolarHBondContact O-CB 3.31Å; L114-Y118 WeakPolarHBondContact O-CD2 3.29Å; L114-Y118 PolarHBondContact O-N 3.11Å; F115-Y118 PolarHBondContact O-N 3.32Å; Y118-S120 PolarHBondContact O-N 3.03Å; Y118-L123 HydrophobicContact CD2-CD1 3.74Å; Y118-L123 HydrophobicContact CD2-CD2 4.32Å; Y118-L123 HydrophobicContact CE2-CD1 4.41Å; Y118-L123 HydrophobicContact CG-CD1 3.81Å; Y118-P410 HydrophobicContact CE2-CB 4.36Å; Y118-P410 PolarHBondContact OH-O 3.36Å; Y118-G414 WeakPolarHBondContact OH-CA 3.37Å; Y118-G414 PolarHBondContact OH-N 3.04Å; Y118-A420 HydrophobicContact CE1-CB 4.2Å; Y118-N421 VanDerWaalsContact CD1-C 3.43Å; Y118-N421 WeakPolarHBondContact CD1-O 3.27Å; Y118-N421 VanDerWaalsContact CE1-O 3.24Å; Y118-N421 WeakPolarHBondContact CE1-O 3.33Å; Y118-A425 HydrophobicContact CD1-CB 4.14Å; Y118-A425 HydrophobicContact CD2-CB 4.34Å; Y118-A425 HydrophobicContact CE1-CB 3.77Å; Y118-A425 HydrophobicContact CE2-CB 3.99Å; Y118-A425 HydrophobicContact CG-CB 4.39Å |
| 119 | Q | 81.6 | Confident | 87.8 | Confident | 127 Ų | 127 | 43.7 Ų | 43.7 | 59% | 0.593 | 20% | 0.202 | S | C | * | . | trans | 50 | 25.4 | -179.1 | -60.8 | -64 | -39.1 | 0 | 0 | 114.1 | F115 A116 | F115-Q119 WeakPolarHBondContact O-CA 3.34Å; F115-Q119 PolarHBondContact O-N 3.31Å; F115-Q119 PolarHBondContact O-NE2 3.2Å; A116-Q119 PolarHBondContact O-NE2 3.27Å | ||
| 120 | S | 84.1 | Confident | 88 | Confident | 20 Ų | 20 | 44.9 Ų | 44.9 | 14% | 0.14 | 21% | 0.211 | C | C | . | . | trans | -113.8 | 116.5 | -174.7 | 176.1 | 0 | 0 | 0 | 0 | 111.8 | Y118 L123 V124 | Y118-S120 PolarHBondContact O-N 3.03Å; S120-L123 PolarHBondContact O-N 3.07Å; S120-L123 PolarHBondContact OG-N 3.2Å; S120-V124 PolarHBondContact O-N 3.22Å | ||
| 121 | R | 85.4 | Confident | 88.3 | Confident | 157 Ų | 157 | 44.7 Ų | 44.7 | 59% | 0.592 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -68.8 | -37.5 | 176 | -65.6 | -174.1 | -179.9 | -170.1 | 0 | 112.4 | F115 L123 V124 W125 | F115-R121 HydrophobicContact CE2-CG 3.84Å; R121-L123 VanDerWaalsContact C-N 3.26Å; R121-L123 PolarHBondContact O-N 3.23Å; R121-V124 WeakPolarHBondContact O-CB 3.33Å; R121-V124 PolarHBondContact O-N 3.09Å; R121-W125 VanDerWaalsContact O-CD1 3.32Å; R121-W125 PolarHBondContact O-N 3.42Å |
| 122 | L | 89.1 | Confident | 88.5 | Confident | 107 Ų | 107 | 46 Ų | 46 | 56% | 0.56 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -60.1 | -41.7 | 177.7 | -178.9 | 64.6 | 0 | 0 | 0 | 110.7 | V124 W125 L126 L426 | L122-V124 PolarHBondContact O-N 3.01Å; L122-W125 PolarHBondContact O-N 3.39Å; L122-L126 WeakPolarHBondContact O-CB 3.4Å; L122-L126 PolarHBondContact O-N 2.98Å; L122-L426 HydrophobicContact CD2-CD1 4Å; L122-L426 HydrophobicContact CD2-CD2 4.27Å; L122-L426 HydrophobicContact CG-CD1 4.46Å; L122-L426 HydrophobicContact CG-CD2 4.11Å |
| 123 | L | 92.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.6 | -45.5 | 176.3 | -173.4 | 155.9 | 0 | 0 | 0 | 111.2 | L114 Y118 S120 R121 W125 L126 A127 A425 L426 M429 | L114-L123 HydrophobicContact CB-CD2 3.68Å; L114-L123 HydrophobicContact CD1-CD2 4.07Å; L114-L123 HydrophobicContact CG-CD2 4.31Å; Y118-L123 HydrophobicContact CD2-CD1 3.74Å; Y118-L123 HydrophobicContact CD2-CD2 4.32Å; Y118-L123 HydrophobicContact CE2-CD1 4.41Å; Y118-L123 HydrophobicContact CG-CD1 3.81Å; S120-L123 PolarHBondContact O-N 3.07Å; S120-L123 PolarHBondContact OG-N 3.2Å; R121-L123 VanDerWaalsContact C-N 3.26Å; R121-L123 PolarHBondContact O-N 3.23Å; L123-W125 PolarHBondContact O-N 3.28Å; L123-L126 PolarHBondContact O-N 2.89Å; L123-A127 WeakPolarHBondContact O-CB 3.43Å; L123-A127 PolarHBondContact O-N 2.99Å; L123-A425 HydrophobicContact CD1-CB 3.46Å; L123-A425 VanDerWaalsContact CD1-CB 3.46Å; L123-L426 HydrophobicContact CB-CD2 3.93Å; L123-L426 HydrophobicContact CB-CG 4.17Å; L123-L426 HydrophobicContact CD1-CG 4.46Å; L123-L426 HydrophobicContact CG-CD2 4.44Å; L123-M429 HydrophobicContact CD1-SD 4.4Å; L123-M429 HydrophobicContact CD2-SD 4.32Å; L123-M429 HydrophobicContact CG-SD 3.81Å |
| 124 | V | 91.6 | Very high | 88.8 | Confident | 7 Ų | 7 | 49.1 Ų | 49.1 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 176.2 | 170.1 | 0 | 0 | 0 | 0 | 112.1 | N111 F115 S120 R121 L122 S128 D350 | N111-V124 HydrophobicContact CB-CG1 4.07Å; F115-V124 HydrophobicContact CB-CG2 3.66Å; F115-V124 HydrophobicContact CD2-CG2 3.89Å; F115-V124 HydrophobicContact CG-CG2 4.19Å; S120-V124 PolarHBondContact O-N 3.22Å; R121-V124 WeakPolarHBondContact O-CB 3.33Å; R121-V124 PolarHBondContact O-N 3.09Å; L122-V124 PolarHBondContact O-N 3.01Å; V124-S128 VanDerWaalsContact O-CB 3.25Å; V124-S128 WeakPolarHBondContact O-CB 3.2Å; V124-S128 PolarHBondContact O-N 3.48Å; V124-S128 PolarHBondContact O-OG 3.38Å; V124-D350 HydrophobicContact CG1-CB 4.25Å |
| 125 | W | 89.8 | Confident | 88.8 | Confident | 128 Ų | 128 | 48.9 Ų | 48.9 | 49% | 0.485 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66 | -45.5 | 179.5 | -73.3 | 13.7 | 0 | 0 | 0 | 111.5 | R121 L122 L123 S128 L129 N354 | R121-W125 VanDerWaalsContact O-CD1 3.32Å; R121-W125 PolarHBondContact O-N 3.42Å; L122-W125 PolarHBondContact O-N 3.39Å; L123-W125 PolarHBondContact O-N 3.28Å; W125-S128 PolarHBondContact O-N 2.92Å; W125-L129 WeakPolarHBondContact O-CB 3.41Å; W125-L129 PolarHBondContact O-N 2.76Å; W125-N354 PolarHBondContact NE1-ND2 3.48Å; W125-N354 VanDerWaalsContact NE1-ND2 3.17Å |
| 126 | L | 92.7 | Very high | 88.8 | Confident | 41 Ų | 41 | 48.1 Ų | 48.1 | 22% | 0.215 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.9 | -43.8 | 177.7 | -166.7 | 151.2 | 0 | 0 | 0 | 110.9 | L122 L123 S128 L129 S130 V406 M429 I430 | L122-L126 WeakPolarHBondContact O-CB 3.4Å; L122-L126 PolarHBondContact O-N 2.98Å; L123-L126 PolarHBondContact O-N 2.89Å; L126-S128 PolarHBondContact O-N 3.24Å; L126-L129 PolarHBondContact O-N 3.44Å; L126-S130 WeakPolarHBondContact O-CB 3.43Å; L126-S130 PolarHBondContact O-N 2.88Å; L126-S130 PolarHBondContact O-OG 3.34Å; L126-S130 VanDerWaalsContact O-OG 3.05Å; L126-V406 HydrophobicContact CD2-CG1 4.44Å; L126-M429 HydrophobicContact CB-CE 4.44Å; L126-M429 HydrophobicContact CD2-CB 3.69Å; L126-M429 HydrophobicContact CD2-CE 3.48Å; L126-M429 VanDerWaalsContact CD2-CE 3.48Å; L126-M429 HydrophobicContact CD2-CG 4.41Å; L126-M429 HydrophobicContact CD2-SD 4.24Å; L126-I430 HydrophobicContact CD1-CD1 4.25Å; L126-I430 HydrophobicContact CD1-CG1 3.68Å |
| 127 | A | 93.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.1 | -48.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | N111 L114 L123 L129 S130 L131 F407 M429 | N111-A127 VanDerWaalsContact OD1-CB 3.3Å; N111-A127 WeakPolarHBondContact OD1-CB 3.2Å; L114-A127 HydrophobicContact CD1-CB 4Å; L123-A127 WeakPolarHBondContact O-CB 3.43Å; L123-A127 PolarHBondContact O-N 2.99Å; A127-L129 PolarHBondContact O-N 3.09Å; A127-S130 PolarHBondContact O-N 3.49Å; A127-L131 VanDerWaalsContact O-CB 3.26Å; A127-L131 WeakPolarHBondContact O-CB 3.4Å; A127-L131 PolarHBondContact O-N 3.49Å; A127-F407 HydrophobicContact CB-CE1 3.68Å; A127-F407 HydrophobicContact CB-CZ 3.86Å; A127-F407 WeakPolarHBondContact O-CZ 3.37Å; A127-M429 HydrophobicContact CB-CE 3.61Å |
| 128 | S | 93.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.8 | -46.2 | 179.3 | -62.1 | 0 | 0 | 0 | 0 | 112 | N111 V124 W125 L126 L131 L132 | N111-S128 PolarHBondContact ND2-OG 2.85Å; V124-S128 VanDerWaalsContact O-CB 3.25Å; V124-S128 WeakPolarHBondContact O-CB 3.2Å; V124-S128 PolarHBondContact O-N 3.48Å; V124-S128 PolarHBondContact O-OG 3.38Å; W125-S128 PolarHBondContact O-N 2.92Å; L126-S128 PolarHBondContact O-N 3.24Å; S128-L131 PolarHBondContact O-N 3.24Å; S128-L132 VanDerWaalsContact O-CG 3.23Å; S128-L132 WeakPolarHBondContact O-CG 3.28Å; S128-L132 PolarHBondContact O-N 3.45Å |
| 129 | L | 92.2 | Very high | 89.5 | Confident | 112 Ų | 112 | 45.2 Ų | 45.2 | 59% | 0.586 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -64 | -48.9 | 179.1 | -178.6 | 63.2 | 0 | 0 | 0 | 111.4 | W125 L126 A127 L131 L132 V133 | W125-L129 WeakPolarHBondContact O-CB 3.41Å; W125-L129 PolarHBondContact O-N 2.76Å; L126-L129 PolarHBondContact O-N 3.44Å; A127-L129 PolarHBondContact O-N 3.09Å; L129-L131 VanDerWaalsContact C-N 3.31Å; L129-L131 PolarHBondContact O-N 2.75Å; L129-L132 PolarHBondContact O-N 3.21Å; L129-V133 HydrophobicContact CD1-CG2 4.25Å; L129-V133 WeakPolarHBondContact O-CG2 3.4Å; L129-V133 PolarHBondContact O-N 3.22Å |
| 130 | S | 92 | Very high | 90 | Very high | 32 Ų | 32 | 39.6 Ų | 39.6 | 22% | 0.224 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.4 | -42.5 | 178.3 | -65.1 | 0 | 0 | 0 | 0 | 112.1 | L126 A127 A134 | L126-S130 WeakPolarHBondContact O-CB 3.43Å; L126-S130 PolarHBondContact O-N 2.88Å; L126-S130 PolarHBondContact O-OG 3.34Å; L126-S130 VanDerWaalsContact O-OG 3.05Å; A127-S130 PolarHBondContact O-N 3.49Å; S130-A134 WeakPolarHBondContact O-CB 3.45Å; S130-A134 PolarHBondContact O-N 3.37Å |
| 131 | L | 91.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.1 | -50.3 | 175.6 | -174.5 | 78.1 | 0 | 0 | 0 | 111.5 | A127 S128 L129 F135 P254 Q342 T346 L403 F407 | A127-L131 VanDerWaalsContact O-CB 3.26Å; A127-L131 WeakPolarHBondContact O-CB 3.4Å; A127-L131 PolarHBondContact O-N 3.49Å; S128-L131 PolarHBondContact O-N 3.24Å; L129-L131 VanDerWaalsContact C-N 3.31Å; L129-L131 PolarHBondContact O-N 2.75Å; L131-F135 HydrophobicContact CD1-CD1 4.33Å; L131-F135 HydrophobicContact CD1-CD2 4.32Å; L131-F135 HydrophobicContact CD1-CE1 3.75Å; L131-F135 HydrophobicContact CD1-CE2 3.71Å; L131-F135 HydrophobicContact CD1-CZ 3.4Å; L131-F135 VanDerWaalsContact CD1-CZ 3.4Å; L131-F135 HydrophobicContact CD2-CE2 4.2Å; L131-F135 HydrophobicContact CG-CD2 4.08Å; L131-F135 HydrophobicContact CG-CE1 4.46Å; L131-F135 HydrophobicContact CG-CE2 3.84Å; L131-F135 HydrophobicContact CG-CG 4.49Å; L131-F135 HydrophobicContact CG-CZ 4.06Å; L131-F135 VanDerWaalsContact O-CB 3.27Å; L131-F135 WeakPolarHBondContact O-CB 3.42Å; L131-F135 VanDerWaalsContact O-CG 3.28Å; L131-F135 WeakPolarHBondContact O-CG 3.28Å; L131-F135 PolarHBondContact O-N 3.27Å; L131-P254 HydrophobicContact CD1-CB 3.36Å; L131-P254 HydrophobicContact CD1-CG 3.47Å; L131-P254 VanDerWaalsContact CD1-CG 3.47Å; L131-Q342 HydrophobicContact CD2-CG 4.31Å; L131-T346 HydrophobicContact CD2-CG2 4.14Å; L131-T346 VanDerWaalsContact CD2-OG1 3.23Å; L131-T346 WeakPolarHBondContact CD2-OG1 3.3Å; L131-L403 HydrophobicContact CD1-CD2 4.05Å; L131-F407 HydrophobicContact CB-CE2 4.34Å; L131-F407 HydrophobicContact CB-CZ 4.2Å; L131-F407 HydrophobicContact CD1-CE2 4.39Å; L131-F407 HydrophobicContact CD1-CZ 4.48Å |
| 132 | L | 91.7 | Very high | 90.6 | Very high | 30 Ų | 30 | 31.2 Ų | 31.2 | 16% | 0.157 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.2 | -44.9 | -177.2 | -70.3 | 171.8 | 0 | 0 | 0 | 111.8 | S128 L129 F135 V136 T346 I347 L351 | S128-L132 VanDerWaalsContact O-CG 3.23Å; S128-L132 WeakPolarHBondContact O-CG 3.28Å; S128-L132 PolarHBondContact O-N 3.45Å; L129-L132 PolarHBondContact O-N 3.21Å; L132-F135 PolarHBondContact O-N 3.42Å; L132-V136 WeakPolarHBondContact O-CG2 3.4Å; L132-V136 PolarHBondContact O-N 2.71Å; L132-V136 VanDerWaalsContact O-N 3.08Å; L132-T346 HydrophobicContact CD1-CG2 4.37Å; L132-T346 HydrophobicContact CG-CG2 4.26Å; L132-I347 HydrophobicContact CD1-CD1 4.32Å; L132-I347 HydrophobicContact CD1-CG1 3.74Å; L132-I347 HydrophobicContact CD2-CD1 3.95Å; L132-I347 HydrophobicContact CD2-CG1 3.9Å; L132-I347 HydrophobicContact CG-CG1 4.49Å; L132-L351 HydrophobicContact CD1-CD1 4.1Å |
| 133 | V | 89.1 | Confident | 90.7 | Very high | 97 Ų | 97 | 26.1 Ų | 26.1 | 59% | 0.588 | 14% | 0.144 | S | C | * | . | H | α-helix | trans | -62 | -48.9 | 178.7 | 171.6 | 0 | 0 | 0 | 0 | 111 | L129 F135 V136 G137 | L129-V133 HydrophobicContact CD1-CG2 4.25Å; L129-V133 WeakPolarHBondContact O-CG2 3.4Å; L129-V133 PolarHBondContact O-N 3.22Å; V133-F135 PolarHBondContact O-N 3.06Å; V133-V136 PolarHBondContact O-N 3.49Å; V133-G137 PolarHBondContact O-N 3.28Å |
| 134 | A | 88.2 | Confident | 90.7 | Very high | 14 Ų | 14 | 26.2 Ų | 26.2 | 12% | 0.116 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.3 | -36.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S130 V136 G137 A138 L403 | S130-A134 WeakPolarHBondContact O-CB 3.45Å; S130-A134 PolarHBondContact O-N 3.37Å; A134-V136 VanDerWaalsContact C-N 3.32Å; A134-V136 PolarHBondContact O-N 3.41Å; A134-G137 PolarHBondContact O-N 2.89Å; A134-A138 WeakPolarHBondContact O-CB 3.49Å; A134-A138 PolarHBondContact O-N 3.38Å; A134-L403 HydrophobicContact CB-CD1 4.12Å; A134-L403 HydrophobicContact CB-CD2 3.59Å; A134-L403 HydrophobicContact CB-CG 3.51Å |
| 135 | F | 89.2 | Confident | 90.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.2 | -32.4 | 175.8 | -78.6 | 5.4 | 0 | 0 | 0 | 112.7 | L131 L132 V133 G137 A138 M139 H255 Q339 Q342 S343 L403 | L131-F135 HydrophobicContact CD1-CD1 4.33Å; L131-F135 HydrophobicContact CD1-CD2 4.32Å; L131-F135 HydrophobicContact CD1-CE1 3.75Å; L131-F135 HydrophobicContact CD1-CE2 3.71Å; L131-F135 HydrophobicContact CD1-CZ 3.4Å; L131-F135 VanDerWaalsContact CD1-CZ 3.4Å; L131-F135 HydrophobicContact CD2-CE2 4.2Å; L131-F135 HydrophobicContact CG-CD2 4.08Å; L131-F135 HydrophobicContact CG-CE1 4.46Å; L131-F135 HydrophobicContact CG-CE2 3.84Å; L131-F135 HydrophobicContact CG-CG 4.49Å; L131-F135 HydrophobicContact CG-CZ 4.06Å; L131-F135 VanDerWaalsContact O-CB 3.27Å; L131-F135 WeakPolarHBondContact O-CB 3.42Å; L131-F135 VanDerWaalsContact O-CG 3.28Å; L131-F135 WeakPolarHBondContact O-CG 3.28Å; L131-F135 PolarHBondContact O-N 3.27Å; L132-F135 PolarHBondContact O-N 3.42Å; V133-F135 PolarHBondContact O-N 3.06Å; F135-G137 VanDerWaalsContact C-N 3.35Å; F135-A138 PolarHBondContact O-N 3.13Å; F135-M139 HydrophobicContact CB-CE 4.13Å; F135-M139 VanDerWaalsContact O-CB 3.22Å; F135-M139 WeakPolarHBondContact O-CB 3.38Å; F135-M139 WeakPolarHBondContact O-CE 3.47Å; F135-M139 VanDerWaalsContact O-CG 3.22Å; F135-M139 WeakPolarHBondContact O-CG 3.45Å; F135-M139 PolarHBondContact O-N 3.19Å; F135-H255 HydrophobicContact CZ-CB 4.14Å; F135-Q339 HydrophobicContact CD1-CG 4.43Å; F135-Q339 HydrophobicContact CD2-CB 4.18Å; F135-Q339 HydrophobicContact CD2-CG 4.36Å; F135-Q339 HydrophobicContact CE1-CG 4.46Å; F135-Q339 HydrophobicContact CE2-CB 4.5Å; F135-Q339 HydrophobicContact CE2-CG 4.41Å; F135-Q339 HydrophobicContact CG-CB 4.42Å; F135-Q339 HydrophobicContact CG-CG 4.38Å; F135-Q339 HydrophobicContact CZ-CG 4.45Å; F135-Q342 HydrophobicContact CE2-CB 3.95Å; F135-Q342 HydrophobicContact CE2-CG 3.83Å; F135-Q342 HydrophobicContact CZ-CG 4.48Å; F135-S343 WeakPolarHBondContact CD2-OG 3.45Å; F135-L403 HydrophobicContact CD1-CD1 3.94Å; F135-L403 HydrophobicContact CE1-CD1 3.65Å; F135-L403 HydrophobicContact CE1-CD2 4.4Å |
| 136 | V | 87.8 | Confident | 90.7 | Very high | 54 Ų | 54 | 19.8 Ų | 19.8 | 33% | 0.327 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -59.9 | -47.2 | 171.6 | 170.8 | 0 | 0 | 0 | 0 | 110.5 | L132 V133 A134 T140 L381 | L132-V136 WeakPolarHBondContact O-CG2 3.4Å; L132-V136 PolarHBondContact O-N 2.71Å; L132-V136 VanDerWaalsContact O-N 3.08Å; V133-V136 PolarHBondContact O-N 3.49Å; A134-V136 VanDerWaalsContact C-N 3.32Å; A134-V136 PolarHBondContact O-N 3.41Å; V136-T140 WeakPolarHBondContact O-CB 3.19Å; V136-T140 PolarHBondContact O-N 3.41Å; V136-T140 PolarHBondContact O-OG1 3.49Å; V136-L381 HydrophobicContact CG1-CD2 4.34Å; V136-L381 WeakPolarHBondContact O-CD2 3.39Å |
| 137 | G | 85.4 | Confident | 90.7 | Very high | 21 Ų | 21 | 17.8 Ų | 17.8 | 22% | 0.216 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.2 | -49.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | V133 A134 F135 M139 T140 V141 | V133-G137 PolarHBondContact O-N 3.28Å; A134-G137 PolarHBondContact O-N 2.89Å; F135-G137 VanDerWaalsContact C-N 3.35Å; G137-M139 PolarHBondContact O-N 2.65Å; G137-T140 PolarHBondContact O-N 3.13Å; G137-V141 PolarHBondContact O-N 3.46Å |
| 138 | A | 88.4 | Confident | 90.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.1 | -41.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A134 F135 V141 Q142 A399 | A134-A138 WeakPolarHBondContact O-CB 3.49Å; A134-A138 PolarHBondContact O-N 3.38Å; F135-A138 PolarHBondContact O-N 3.13Å; A138-V141 WeakPolarHBondContact O-CB 3.44Å; A138-Q142 WeakPolarHBondContact O-CG 3.35Å; A138-Q142 PolarHBondContact O-N 3.23Å; A138-A399 HydrophobicContact CB-CB 3.92Å |
| 139 | M | 91 | Very high | 90.2 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -70.8 | -34.4 | 177.2 | -72.2 | -174.4 | -68.1 | 0 | 0 | 112.2 | F135 G137 V141 Q142 F143 Q339 L340 L381 | F135-M139 HydrophobicContact CB-CE 4.13Å; F135-M139 VanDerWaalsContact O-CB 3.22Å; F135-M139 WeakPolarHBondContact O-CB 3.38Å; F135-M139 WeakPolarHBondContact O-CE 3.47Å; F135-M139 VanDerWaalsContact O-CG 3.22Å; F135-M139 WeakPolarHBondContact O-CG 3.45Å; F135-M139 PolarHBondContact O-N 3.19Å; G137-M139 PolarHBondContact O-N 2.65Å; M139-V141 VanDerWaalsContact C-N 3.29Å; M139-V141 PolarHBondContact O-N 3.16Å; M139-Q142 WeakPolarHBondContact O-CB 3.45Å; M139-Q142 PolarHBondContact O-N 2.93Å; M139-F143 WeakPolarHBondContact O-CD2 3.1Å; M139-F143 PolarHBondContact O-N 2.94Å; M139-Q339 HydrophobicContact CG-CB 3.61Å; M139-Q339 HydrophobicContact CG-CG 4.37Å; M139-Q339 HydrophobicContact SD-CB 3.7Å; M139-L340 HydrophobicContact CE-CD2 4.25Å; M139-L340 HydrophobicContact SD-CB 4.44Å; M139-L340 HydrophobicContact SD-CD2 3.65Å; M139-L340 HydrophobicContact SD-CG 3.68Å; M139-L381 HydrophobicContact CB-CD1 3.65Å; M139-L381 HydrophobicContact CB-CD2 3.55Å; M139-L381 HydrophobicContact CB-CG 4.24Å; M139-L381 HydrophobicContact CE-CD1 3.89Å; M139-L381 HydrophobicContact CE-CD2 4.29Å; M139-L381 HydrophobicContact CG-CD1 4.29Å; M139-L381 HydrophobicContact SD-CD1 3.76Å |
| 140 | T | 91.3 | Very high | 90.1 | Very high | 10 Ų | 10 | 15.7 Ų | 15.7 | 6% | 0.061 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.1 | -44.7 | 177.2 | -62 | 0 | 0 | 0 | 0 | 110.5 | V136 G137 Q142 F143 I144 L381 A384 A385 | V136-T140 WeakPolarHBondContact O-CB 3.19Å; V136-T140 PolarHBondContact O-N 3.41Å; V136-T140 PolarHBondContact O-OG1 3.49Å; G137-T140 PolarHBondContact O-N 3.13Å; T140-Q142 VanDerWaalsContact C-N 3.3Å; T140-Q142 PolarHBondContact O-N 2.65Å; T140-F143 PolarHBondContact O-N 3.4Å; T140-I144 HydrophobicContact CG2-CD1 3.91Å; T140-I144 WeakPolarHBondContact O-CD1 3.43Å; T140-I144 VanDerWaalsContact O-CG1 3.28Å; T140-I144 WeakPolarHBondContact O-CG1 3.43Å; T140-I144 PolarHBondContact O-N 2.95Å; T140-L381 WeakPolarHBondContact OG1-CD2 3.05Å; T140-A384 HydrophobicContact CG2-CB 3.93Å; T140-A385 HydrophobicContact CG2-CB 4.07Å |
| 141 | V | 89.5 | Confident | 90 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -53.4 | -45 | 171.6 | 159.4 | 0 | 0 | 0 | 0 | 111.9 | G137 A138 M139 I144 G145 I392 L395 N396 | G137-V141 PolarHBondContact O-N 3.46Å; A138-V141 WeakPolarHBondContact O-CB 3.44Å; M139-V141 VanDerWaalsContact C-N 3.29Å; M139-V141 PolarHBondContact O-N 3.16Å; V141-I144 PolarHBondContact O-N 2.8Å; V141-G145 PolarHBondContact O-N 2.85Å; V141-I392 HydrophobicContact CB-CG2 3.96Å; V141-I392 HydrophobicContact CG1-CG2 3.1Å; V141-I392 HydrophobicContact CG2-CG2 4.25Å; V141-L395 HydrophobicContact CG2-CB 3.6Å; V141-L395 HydrophobicContact CG2-CD2 3.5Å; V141-L395 VanDerWaalsContact CG2-CD2 3.5Å; V141-L395 HydrophobicContact CG2-CG 3.43Å; V141-L395 VanDerWaalsContact CG2-CG 3.43Å; V141-N396 HydrophobicContact CG1-CB 3.81Å; V141-N396 HydrophobicContact CG2-CB 4.33Å |
| 142 | Q | 92.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.1 | -42.9 | 179.2 | -56.8 | -48.4 | -45.7 | 0 | 0 | 111.9 | S58 A138 M139 T140 I144 G145 G146 I332 T335 I336 | S58-Q142 VanDerWaalsContact CB-NE2 3.31Å; S58-Q142 PolarHBondContact OG-NE2 3.38Å; A138-Q142 WeakPolarHBondContact O-CG 3.35Å; A138-Q142 PolarHBondContact O-N 3.23Å; M139-Q142 WeakPolarHBondContact O-CB 3.45Å; M139-Q142 PolarHBondContact O-N 2.93Å; T140-Q142 VanDerWaalsContact C-N 3.3Å; T140-Q142 PolarHBondContact O-N 2.65Å; Q142-I144 PolarHBondContact O-N 2.91Å; Q142-G145 PolarHBondContact O-N 3.49Å; Q142-G146 PolarHBondContact O-N 2.87Å; Q142-I332 HydrophobicContact CB-CG2 3.8Å; Q142-I332 WeakPolarHBondContact O-CG2 3.45Å; Q142-T335 HydrophobicContact CG-CG2 4Å; Q142-I336 HydrophobicContact CB-CD1 3.54Å; Q142-I336 HydrophobicContact CB-CG1 3.32Å; Q142-I336 HydrophobicContact CG-CG1 3.88Å |
| 143 | F | 92.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 177.2 | -88.9 | -125.5 | 0 | 0 | 0 | 111.8 | M139 T140 G145 G146 A147 L162 I336 L381 L382 A385 | M139-F143 WeakPolarHBondContact O-CD2 3.1Å; M139-F143 PolarHBondContact O-N 2.94Å; T140-F143 PolarHBondContact O-N 3.4Å; F143-G145 VanDerWaalsContact C-N 3.34Å; F143-G145 PolarHBondContact O-N 3.44Å; F143-G146 PolarHBondContact O-N 3.49Å; F143-A147 WeakPolarHBondContact O-CB 3.4Å; F143-A147 PolarHBondContact O-N 3.31Å; F143-L162 HydrophobicContact CB-CD1 3.94Å; F143-L162 HydrophobicContact CD1-CD1 3.98Å; F143-L162 HydrophobicContact CG-CD1 4.46Å; F143-I336 HydrophobicContact CD2-CD1 3.55Å; F143-I336 HydrophobicContact CD2-CG1 4.16Å; F143-I336 HydrophobicContact CE2-CD1 3.66Å; F143-I336 HydrophobicContact CE2-CG1 4.13Å; F143-I336 HydrophobicContact CE2-CG2 3.81Å; F143-L381 HydrophobicContact CD1-CB 4.18Å; F143-L381 HydrophobicContact CD2-CB 4.4Å; F143-L381 HydrophobicContact CD2-CD1 4.38Å; F143-L381 HydrophobicContact CE1-CB 3.98Å; F143-L381 HydrophobicContact CE2-CB 4.21Å; F143-L381 HydrophobicContact CE2-CD1 3.77Å; F143-L381 HydrophobicContact CG-CB 4.39Å; F143-L381 HydrophobicContact CZ-CB 4.02Å; F143-L381 HydrophobicContact CZ-CD1 4Å; F143-L382 HydrophobicContact CD1-CD2 4.09Å; F143-L382 HydrophobicContact CD1-CG 4.47Å; F143-L382 HydrophobicContact CE1-CD2 4.04Å; F143-L382 HydrophobicContact CE1-CG 4.1Å; F143-A385 HydrophobicContact CB-CB 3.83Å |
| 144 | I | 91.2 | Very high | 89.3 | Confident | 2 Ų | 2 | 12.6 Ų | 12.6 | 1% | 0.01 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59.5 | -47.1 | 175.4 | -64.8 | 157.6 | 0 | 0 | 0 | 110.1 | T140 V141 Q142 G146 A147 R148 Y158 A385 P388 P389 I392 | T140-I144 HydrophobicContact CG2-CD1 3.91Å; T140-I144 WeakPolarHBondContact O-CD1 3.43Å; T140-I144 VanDerWaalsContact O-CG1 3.28Å; T140-I144 WeakPolarHBondContact O-CG1 3.43Å; T140-I144 PolarHBondContact O-N 2.95Å; V141-I144 PolarHBondContact O-N 2.8Å; Q142-I144 PolarHBondContact O-N 2.91Å; I144-G146 VanDerWaalsContact C-N 3.34Å; I144-G146 PolarHBondContact O-N 3.14Å; I144-A147 PolarHBondContact O-N 3.45Å; I144-R148 HydrophobicContact CG2-CG 4.31Å; I144-R148 WeakPolarHBondContact O-CG 3.37Å; I144-R148 PolarHBondContact O-N 2.95Å; I144-Y158 HydrophobicContact CG2-CE2 4.48Å; I144-A385 HydrophobicContact CG1-CB 3.87Å; I144-P388 HydrophobicContact CB-CB 4.49Å; I144-P388 HydrophobicContact CD1-CB 4.37Å; I144-P388 HydrophobicContact CG1-CB 4.15Å; I144-P388 HydrophobicContact CG2-CB 3.53Å; I144-P389 HydrophobicContact CD1-CG 4.48Å; I144-I392 HydrophobicContact CB-CD1 4.39Å; I144-I392 HydrophobicContact CG2-CD1 3.74Å; I144-I392 HydrophobicContact CG2-CG1 3.87Å |
| 145 | G | 90.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -57.1 | -46.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I63 V141 Q142 F143 A147 R148 L149 | I63-G145 WeakPolarHBondContact CD1-O 2.99Å; V141-G145 PolarHBondContact O-N 2.85Å; Q142-G145 PolarHBondContact O-N 3.49Å; F143-G145 VanDerWaalsContact C-N 3.34Å; F143-G145 PolarHBondContact O-N 3.44Å; G145-A147 PolarHBondContact O-N 3.27Å; G145-R148 PolarHBondContact O-N 3.06Å; G145-L149 WeakPolarHBondContact O-CG 3.44Å; G145-L149 PolarHBondContact O-N 3.23Å |
| 146 | G | 91.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.1 | -41.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q142 F143 I144 L149 L150 | Q142-G146 PolarHBondContact O-N 2.87Å; F143-G146 PolarHBondContact O-N 3.49Å; I144-G146 VanDerWaalsContact C-N 3.34Å; I144-G146 PolarHBondContact O-N 3.14Å; G146-L149 PolarHBondContact O-N 3.13Å; G146-L150 PolarHBondContact O-N 3.11Å |
| 147 | A | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.5 | -44.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F143 I144 G145 L149 L150 E151 Y158 L162 | F143-A147 WeakPolarHBondContact O-CB 3.4Å; F143-A147 PolarHBondContact O-N 3.31Å; I144-A147 PolarHBondContact O-N 3.45Å; G145-A147 PolarHBondContact O-N 3.27Å; A147-L149 VanDerWaalsContact C-N 3.32Å; A147-L149 PolarHBondContact O-N 3.25Å; A147-L150 PolarHBondContact O-N 3.17Å; A147-E151 WeakPolarHBondContact O-CB 3.39Å; A147-E151 PolarHBondContact O-N 3.12Å; A147-Y158 HydrophobicContact CB-CD2 3.71Å; A147-Y158 HydrophobicContact CB-CE2 3.4Å; A147-Y158 VanDerWaalsContact CB-CE2 3.4Å; A147-L162 HydrophobicContact CB-CB 3.8Å; A147-L162 HydrophobicContact CB-CD1 4.2Å |
| 148 | R | 88.8 | Confident | 89.9 | Confident | 58 Ų | 58 | 15.2 Ų | 15.2 | 22% | 0.219 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.2 | -34.8 | 176.9 | -70.2 | -58.7 | -171.1 | -178.8 | 2.2 | 113.2 | I144 G145 E151 T152 Y158 L306 | I144-R148 HydrophobicContact CG2-CG 4.31Å; I144-R148 WeakPolarHBondContact O-CG 3.37Å; I144-R148 PolarHBondContact O-N 2.95Å; G145-R148 PolarHBondContact O-N 3.06Å; R148-E151 WeakPolarHBondContact CD-OE2 3.34Å; R148-E151 IonicContact CZ-OE2 2.8Å; R148-E151 IonicContact NE-OE2 2.63Å; R148-E151 IonicContact NH1-OE1 3.02Å; R148-E151 PolarHBondContact NH1-OE1 2.92Å; R148-E151 IonicContact NH1-OE2 3.05Å; R148-E151 PolarHBondContact NH1-OE2 3.19Å; R148-E151 PolarHBondContact O-N 3.41Å; R148-T152 WeakPolarHBondContact O-CB 3.36Å; R148-T152 PolarHBondContact O-N 3.47Å; R148-T152 PolarHBondContact O-OG1 2.91Å; R148-T152 VanDerWaalsContact O-OG1 3.08Å; R148-Y158 HydrophobicContact CG-CD2 4.41Å; R148-Y158 HydrophobicContact CG-CE2 4.18Å; R148-L306 HydrophobicContact CB-CD2 4.15Å; R148-L306 HydrophobicContact CG-CD2 4.46Å |
| 149 | L | 89 | Confident | 90.2 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 2% | 0.016 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.7 | -48.9 | 173.1 | -72.5 | 170.8 | 0 | 0 | 0 | 111.5 | I63 G145 G146 A147 E151 A153 P309 L325 P328 M329 I332 | I63-L149 HydrophobicContact CD1-CD1 3.99Å; I63-L149 HydrophobicContact CD1-CD2 3.96Å; I63-L149 HydrophobicContact CD1-CG 3.71Å; I63-L149 HydrophobicContact CG1-CD2 4.39Å; G145-L149 WeakPolarHBondContact O-CG 3.44Å; G145-L149 PolarHBondContact O-N 3.23Å; G146-L149 PolarHBondContact O-N 3.13Å; A147-L149 VanDerWaalsContact C-N 3.32Å; A147-L149 PolarHBondContact O-N 3.25Å; L149-E151 VanDerWaalsContact C-N 3.32Å; L149-E151 PolarHBondContact O-N 2.94Å; L149-A153 WeakPolarHBondContact O-CB 3.3Å; L149-A153 PolarHBondContact O-N 2.72Å; L149-P309 HydrophobicContact CD2-CB 4.01Å; L149-P309 HydrophobicContact CD2-CG 4.14Å; L149-L325 HydrophobicContact CD2-CD2 4.46Å; L149-P328 HydrophobicContact CD1-CB 3.53Å; L149-P328 HydrophobicContact CD2-CB 3.67Å; L149-P328 HydrophobicContact CD2-CG 4.18Å; L149-P328 HydrophobicContact CG-CB 4.25Å; L149-M329 HydrophobicContact CD1-CG 4.03Å; L149-I332 HydrophobicContact CD1-CD1 3.59Å |
| 150 | L | 89.6 | Confident | 90.3 | Very high | 6 Ų | 6 | 22.6 Ų | 22.6 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.6 | -36.4 | 179.2 | -66.4 | -179.2 | 0 | 0 | 0 | 112 | L9 G146 A147 A154 G155 I156 G161 F165 | L9-L150 HydrophobicContact CD1-CD2 3.99Å; L9-L150 HydrophobicContact CD2-CD2 3.8Å; G146-L150 PolarHBondContact O-N 3.11Å; A147-L150 PolarHBondContact O-N 3.17Å; L150-A154 WeakPolarHBondContact O-CA 3.45Å; L150-A154 WeakPolarHBondContact O-CB 3.45Å; L150-A154 PolarHBondContact O-N 2.96Å; L150-G155 PolarHBondContact O-N 3.22Å; L150-I156 PolarHBondContact O-N 3.18Å; L150-G161 WeakPolarHBondContact CD1-O 3.38Å; L150-F165 HydrophobicContact CD1-CB 4Å |
| 151 | E | 90.3 | Very high | 90.4 | Very high | 56 Ų | 56 | 22.1 Ų | 22.1 | 26% | 0.262 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -60.2 | -53.8 | 176 | -178.1 | -175.5 | -144 | 0 | 0 | 112.3 | A147 R148 L149 G155 I156 | A147-E151 WeakPolarHBondContact O-CB 3.39Å; A147-E151 PolarHBondContact O-N 3.12Å; R148-E151 WeakPolarHBondContact CD-OE2 3.34Å; R148-E151 IonicContact CZ-OE2 2.8Å; R148-E151 IonicContact NE-OE2 2.63Å; R148-E151 IonicContact NH1-OE1 3.02Å; R148-E151 PolarHBondContact NH1-OE1 2.92Å; R148-E151 IonicContact NH1-OE2 3.05Å; R148-E151 PolarHBondContact NH1-OE2 3.19Å; R148-E151 PolarHBondContact O-N 3.41Å; L149-E151 VanDerWaalsContact C-N 3.32Å; L149-E151 PolarHBondContact O-N 2.94Å; E151-G155 WeakPolarHBondContact O-CA 3.45Å; E151-G155 PolarHBondContact O-N 3.06Å; E151-G155 VanDerWaalsContact O-N 3.16Å; E151-I156 WeakPolarHBondContact CA-O 3.33Å |
| 152 | T | 86.9 | Confident | 90.6 | Very high | 37 Ų | 37 | 22.1 Ų | 22.1 | 23% | 0.227 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -75.7 | -41.5 | -173.7 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | R148 L306 P309 T310 | R148-T152 WeakPolarHBondContact O-CB 3.36Å; R148-T152 PolarHBondContact O-N 3.47Å; R148-T152 PolarHBondContact O-OG1 2.91Å; R148-T152 VanDerWaalsContact O-OG1 3.08Å; T152-L306 WeakPolarHBondContact OG1-CD2 3.15Å; T152-P309 HydrophobicContact CG2-CB 3.86Å; T152-P309 HydrophobicContact CG2-CG 3.96Å; T152-T310 WeakPolarHBondContact CG2-OG1 3.49Å |
| 153 | A | 84.8 | Confident | 90.7 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 2% | 0.017 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -89.5 | -41.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114 | Q2 V5 L149 P309 V313 L325 | Q2-A153 PolarHBondContact OE1-O 2.82Å; V5-A153 HydrophobicContact CG1-CB 4.46Å; L149-A153 WeakPolarHBondContact O-CB 3.3Å; L149-A153 PolarHBondContact O-N 2.72Å; A153-P309 HydrophobicContact CB-CB 4.38Å; A153-V313 HydrophobicContact CB-CG2 4.13Å; A153-L325 HydrophobicContact CB-CD1 3.34Å; A153-L325 HydrophobicContact CB-CD2 3.48Å; A153-L325 VanDerWaalsContact CB-CD2 3.48Å; A153-L325 HydrophobicContact CB-CG 4.04Å |
| 154 | A | 86 | Confident | 90.6 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 2% | 0.017 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -93.2 | -13.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1 Q2 I6 L150 I156 | M1-A154 WeakPolarHBondContact CA-O 3.17Å; Q2-A154 PolarHBondContact N-O 2.9Å; Q2-A154 VanDerWaalsContact N-O 3.14Å; I6-A154 HydrophobicContact CD1-CB 4.17Å; I6-A154 HydrophobicContact CG1-CB 3.64Å; L150-A154 WeakPolarHBondContact O-CA 3.45Å; L150-A154 WeakPolarHBondContact O-CB 3.45Å; L150-A154 PolarHBondContact O-N 2.96Å; A154-I156 HydrophobicContact CB-CD1 3.77Å; A154-I156 HydrophobicContact CB-CG1 3.71Å |
| 155 | G | 87 | Confident | 90.5 | Very high | 44 Ų | 44 | 29.2 Ų | 29.2 | 45% | 0.454 | 16% | 0.164 | S | C | . | . | trans | 69.4 | 35.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L150 E151 | L150-G155 PolarHBondContact O-N 3.22Å; E151-G155 WeakPolarHBondContact O-CA 3.45Å; E151-G155 PolarHBondContact O-N 3.06Å; E151-G155 VanDerWaalsContact O-N 3.16Å | ||
| 156 | I | 90.5 | Very high | 90.6 | Very high | 11 Ų | 11 | 29.2 Ų | 29.2 | 6% | 0.056 | 16% | 0.164 | C | C | . | . | trans | -97.1 | 127.5 | 179.4 | -58.4 | -178.3 | 0 | 0 | 0 | 108.4 | M1 L150 E151 A154 Y158 T160 | M1-I156 HydrophobicContact CE-CD1 3.75Å; M1-I156 HydrophobicContact CE-CG1 3.6Å; M1-I156 HydrophobicContact CG-CG1 4.39Å; L150-I156 PolarHBondContact O-N 3.18Å; E151-I156 WeakPolarHBondContact CA-O 3.33Å; A154-I156 HydrophobicContact CB-CD1 3.77Å; A154-I156 HydrophobicContact CB-CG1 3.71Å; I156-Y158 PolarHBondContact O-N 2.85Å; I156-T160 HydrophobicContact CG2-CG2 3.82Å | ||
| 157 | P | 93.1 | Very high | 90.5 | Very high | 78 Ų | 78 | 33.2 Ų | 33.2 | 51% | 0.506 | 18% | 0.184 | S | C | . | . | trans | -49.9 | 138.7 | 178.3 | -26.4 | 34.2 | 0 | 0 | 0 | 112.4 | E159 T160 G161 | P157-E159 VanDerWaalsContact C-N 3.27Å; P157-E159 PolarHBondContact O-N 3.49Å; P157-E159 VanDerWaalsContact O-N 3.13Å; P157-T160 WeakPolarHBondContact O-CA 3.45Å; P157-T160 WeakPolarHBondContact O-CB 3.37Å; P157-T160 PolarHBondContact O-N 3.15Å; P157-G161 PolarHBondContact O-N 3.34Å | ||
| 158 | Y | 91.8 | Very high | 90.3 | Very high | 10 Ų | 10 | 34.5 Ų | 34.5 | 4% | 0.039 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -46.6 | -47.7 | -173.4 | 173.7 | -95.3 | 0 | 0 | 0 | 113.1 | I144 A147 R148 I156 T160 G161 L162 A385 P388 | I144-Y158 HydrophobicContact CG2-CE2 4.48Å; A147-Y158 HydrophobicContact CB-CD2 3.71Å; A147-Y158 HydrophobicContact CB-CE2 3.4Å; A147-Y158 VanDerWaalsContact CB-CE2 3.4Å; R148-Y158 HydrophobicContact CG-CD2 4.41Å; R148-Y158 HydrophobicContact CG-CE2 4.18Å; I156-Y158 PolarHBondContact O-N 2.85Å; Y158-T160 VanDerWaalsContact C-N 3.33Å; Y158-T160 PolarHBondContact O-N 2.82Å; Y158-G161 PolarHBondContact O-N 2.87Å; Y158-L162 HydrophobicContact CE1-CD2 4.19Å; Y158-L162 WeakPolarHBondContact O-CB 3.4Å; Y158-L162 PolarHBondContact O-N 3.14Å; Y158-A385 PolarHBondContact OH-O 3.4Å; Y158-P388 HydrophobicContact CE1-CG 4.05Å; Y158-P388 HydrophobicContact CE2-CB 4.39Å; Y158-P388 HydrophobicContact CE2-CG 4.06Å |
| 159 | E | 94.3 | Very high | 90.2 | Very high | 89 Ų | 89 | 31.8 Ų | 31.8 | 42% | 0.416 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.1 | -38.4 | -177.3 | -56.9 | 82.5 | 176.5 | 0 | 0 | 111.5 | P157 L163 W386 | P157-E159 VanDerWaalsContact C-N 3.27Å; P157-E159 PolarHBondContact O-N 3.49Å; P157-E159 VanDerWaalsContact O-N 3.13Å; E159-L163 WeakPolarHBondContact O-CG 3.18Å; E159-L163 PolarHBondContact O-N 2.98Å; E159-L163 VanDerWaalsContact O-N 3.08Å; E159-W386 HydrophobicContact CB-CH2 4.23Å; E159-W386 HydrophobicContact CB-CZ2 4.3Å; E159-W386 HydrophobicContact CG-CZ2 4.13Å |
| 160 | T | 93.8 | Very high | 90 | Very high | 66 Ų | 66 | 32 Ų | 32 | 41% | 0.405 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -71.6 | -40.8 | 176.3 | -57 | 0 | 0 | 0 | 0 | 110.7 | I156 P157 Y158 L162 L163 I164 | I156-T160 HydrophobicContact CG2-CG2 3.82Å; P157-T160 WeakPolarHBondContact O-CA 3.45Å; P157-T160 WeakPolarHBondContact O-CB 3.37Å; P157-T160 PolarHBondContact O-N 3.15Å; Y158-T160 VanDerWaalsContact C-N 3.33Å; Y158-T160 PolarHBondContact O-N 2.82Å; T160-L162 VanDerWaalsContact C-N 3.34Å; T160-L163 PolarHBondContact O-N 3.46Å; T160-I164 HydrophobicContact CG2-CD1 3.83Å; T160-I164 HydrophobicContact CG2-CG1 4.44Å; T160-I164 VanDerWaalsContact O-CG1 3.28Å; T160-I164 WeakPolarHBondContact O-CG1 3.17Å; T160-I164 PolarHBondContact O-N 3.16Å |
| 161 | G | 92.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.8 | -44.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L150 P157 Y158 I164 F165 | L150-G161 WeakPolarHBondContact CD1-O 3.38Å; P157-G161 PolarHBondContact O-N 3.34Å; Y158-G161 PolarHBondContact O-N 2.87Å; G161-I164 PolarHBondContact O-N 2.79Å; G161-F165 WeakPolarHBondContact O-CB 3.19Å; G161-F165 PolarHBondContact O-N 3.43Å |
| 162 | L | 94.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60 | -47 | 176.7 | 179.3 | 61.5 | 0 | 0 | 0 | 111.9 | F143 A147 Y158 T160 G166 L382 A385 W386 | F143-L162 HydrophobicContact CB-CD1 3.94Å; F143-L162 HydrophobicContact CD1-CD1 3.98Å; F143-L162 HydrophobicContact CG-CD1 4.46Å; A147-L162 HydrophobicContact CB-CB 3.8Å; A147-L162 HydrophobicContact CB-CD1 4.2Å; Y158-L162 HydrophobicContact CE1-CD2 4.19Å; Y158-L162 WeakPolarHBondContact O-CB 3.4Å; Y158-L162 PolarHBondContact O-N 3.14Å; T160-L162 VanDerWaalsContact C-N 3.34Å; L162-G166 WeakPolarHBondContact O-CA 3.37Å; L162-G166 PolarHBondContact O-N 3.23Å; L162-L382 HydrophobicContact CD1-CD2 4.11Å; L162-L382 HydrophobicContact CG-CD2 3.86Å; L162-L382 WeakPolarHBondContact O-CD2 3.24Å; L162-A385 HydrophobicContact CD1-CB 3.84Å; L162-A385 HydrophobicContact CD2-CB 4.11Å; L162-W386 HydrophobicContact CD2-CE3 4.18Å |
| 163 | L | 94.5 | Very high | 89.3 | Confident | 71 Ų | 71 | 30.9 Ų | 30.9 | 37% | 0.372 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.4 | -49.2 | 177.7 | -72.7 | 172.3 | 0 | 0 | 0 | 111.9 | E159 T160 F165 I167 L382 W386 | E159-L163 WeakPolarHBondContact O-CG 3.18Å; E159-L163 PolarHBondContact O-N 2.98Å; E159-L163 VanDerWaalsContact O-N 3.08Å; T160-L163 PolarHBondContact O-N 3.46Å; L163-F165 PolarHBondContact O-N 3.38Å; L163-I167 HydrophobicContact CB-CD1 4.46Å; L163-I167 VanDerWaalsContact O-CB 3.23Å; L163-I167 WeakPolarHBondContact O-CB 3.24Å; L163-I167 WeakPolarHBondContact O-CD1 3.5Å; L163-I167 WeakPolarHBondContact O-CG1 3.24Å; L163-I167 PolarHBondContact O-N 3.38Å; L163-L382 HydrophobicContact CD2-CD1 4.43Å; L163-L382 HydrophobicContact CD2-CD2 4.48Å; L163-W386 HydrophobicContact CD2-CZ3 4.37Å; L163-W386 HydrophobicContact CG-CZ3 4.46Å |
| 164 | I | 90.6 | Very high | 89 | Confident | 76 Ų | 76 | 31.1 Ų | 31.1 | 39% | 0.39 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.6 | -49.8 | 179.8 | -68.6 | 169.1 | 0 | 0 | 0 | 110.2 | T160 G161 S168 | T160-I164 HydrophobicContact CG2-CD1 3.83Å; T160-I164 HydrophobicContact CG2-CG1 4.44Å; T160-I164 VanDerWaalsContact O-CG1 3.28Å; T160-I164 WeakPolarHBondContact O-CG1 3.17Å; T160-I164 PolarHBondContact O-N 3.16Å; G161-I164 PolarHBondContact O-N 2.79Å; I164-S168 VanDerWaalsContact O-CB 3.25Å; I164-S168 WeakPolarHBondContact O-CB 3.35Å; I164-S168 PolarHBondContact O-N 2.9Å; I164-S168 PolarHBondContact O-OG 2.94Å |
| 165 | F | 89.6 | Confident | 88.6 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 2% | 0.022 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.7 | -52.5 | -177.9 | -173.8 | -106.1 | 0 | 0 | 0 | 111.5 | L150 G161 L163 S168 I169 M329 I332 M333 I336 | L150-F165 HydrophobicContact CD1-CB 4Å; G161-F165 WeakPolarHBondContact O-CB 3.19Å; G161-F165 PolarHBondContact O-N 3.43Å; L163-F165 PolarHBondContact O-N 3.38Å; F165-S168 PolarHBondContact O-N 2.86Å; F165-I169 HydrophobicContact CD1-CD1 3.53Å; F165-I169 HydrophobicContact CD2-CD1 4Å; F165-I169 HydrophobicContact CE1-CD1 3.13Å; F165-I169 HydrophobicContact CE2-CD1 3.66Å; F165-I169 HydrophobicContact CG-CD1 3.95Å; F165-I169 HydrophobicContact CZ-CD1 3.22Å; F165-I169 HydrophobicContact CZ-CG1 4.5Å; F165-I169 VanDerWaalsContact O-CG1 3.3Å; F165-I169 WeakPolarHBondContact O-CG1 3.49Å; F165-I169 PolarHBondContact O-N 3.13Å; F165-M329 HydrophobicContact CD2-CE 4.03Å; F165-M329 HydrophobicContact CE2-CE 3.88Å; F165-I332 HydrophobicContact CE1-CG2 3.66Å; F165-I332 HydrophobicContact CZ-CB 4.09Å; F165-I332 HydrophobicContact CZ-CG2 3.42Å; F165-I332 VanDerWaalsContact CZ-CG2 3.42Å; F165-M333 HydrophobicContact CE2-CG 4.09Å; F165-M333 HydrophobicContact CZ-CG 4.15Å; F165-I336 HydrophobicContact CE1-CD1 3.96Å |
| 166 | G | 91.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65 | -43.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L162 I169 A170 | L162-G166 WeakPolarHBondContact O-CA 3.37Å; L162-G166 PolarHBondContact O-N 3.23Å; G166-I169 PolarHBondContact O-N 3.44Å; G166-A170 WeakPolarHBondContact O-CB 3.47Å; G166-A170 PolarHBondContact O-N 3.1Å |
| 167 | I | 90 | Very high | 87.2 | Confident | 83 Ų | 83 | 34.6 Ų | 34.6 | 43% | 0.426 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.1 | -44.4 | 176.7 | -66.5 | 170.1 | 0 | 0 | 0 | 110.3 | L163 I169 A170 L171 L382 | L163-I167 HydrophobicContact CB-CD1 4.46Å; L163-I167 VanDerWaalsContact O-CB 3.23Å; L163-I167 WeakPolarHBondContact O-CB 3.24Å; L163-I167 WeakPolarHBondContact O-CD1 3.5Å; L163-I167 WeakPolarHBondContact O-CG1 3.24Å; L163-I167 PolarHBondContact O-N 3.38Å; I167-I169 VanDerWaalsContact C-N 3.3Å; I167-I169 PolarHBondContact O-N 3.25Å; I167-A170 PolarHBondContact O-N 3.1Å; I167-L171 HydrophobicContact CG2-CD1 3.74Å; I167-L171 HydrophobicContact CG2-CG 4.29Å; I167-L171 WeakPolarHBondContact O-CB 3.45Å; I167-L171 VanDerWaalsContact O-CG 3.26Å; I167-L171 WeakPolarHBondContact O-CG 3.26Å; I167-L171 PolarHBondContact O-N 2.73Å; I167-L382 HydrophobicContact CG1-CD1 4.23Å |
| 168 | S | 86.9 | Confident | 86.2 | Confident | 28 Ų | 28 | 31.3 Ų | 31.3 | 20% | 0.196 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.7 | -43.6 | 178.9 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | F17 I164 F165 Y172 | F17-S168 WeakPolarHBondContact CZ-O 3.44Å; I164-S168 VanDerWaalsContact O-CB 3.25Å; I164-S168 WeakPolarHBondContact O-CB 3.35Å; I164-S168 PolarHBondContact O-N 2.9Å; I164-S168 PolarHBondContact O-OG 2.94Å; F165-S168 PolarHBondContact O-N 2.86Å; S168-Y172 WeakPolarHBondContact O-CD1 3.34Å; S168-Y172 PolarHBondContact O-N 3.42Å; S168-Y172 VanDerWaalsContact O-N 3.09Å |
| 169 | I | 87.3 | Confident | 85.4 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70 | -45.6 | -179.1 | -63.6 | 169.4 | 0 | 0 | 0 | 112.2 | F165 G166 I167 L171 Y172 T173 M333 I336 L340 | F165-I169 HydrophobicContact CD1-CD1 3.53Å; F165-I169 HydrophobicContact CD2-CD1 4Å; F165-I169 HydrophobicContact CE1-CD1 3.13Å; F165-I169 HydrophobicContact CE2-CD1 3.66Å; F165-I169 HydrophobicContact CG-CD1 3.95Å; F165-I169 HydrophobicContact CZ-CD1 3.22Å; F165-I169 HydrophobicContact CZ-CG1 4.5Å; F165-I169 VanDerWaalsContact O-CG1 3.3Å; F165-I169 WeakPolarHBondContact O-CG1 3.49Å; F165-I169 PolarHBondContact O-N 3.13Å; G166-I169 PolarHBondContact O-N 3.44Å; I167-I169 VanDerWaalsContact C-N 3.3Å; I167-I169 PolarHBondContact O-N 3.25Å; I169-L171 VanDerWaalsContact C-N 3.25Å; I169-L171 PolarHBondContact O-N 3.25Å; I169-Y172 HydrophobicContact CB-CD1 4.47Å; I169-Y172 HydrophobicContact CB-CE1 4.04Å; I169-Y172 HydrophobicContact CG1-CE1 3.96Å; I169-Y172 HydrophobicContact CG2-CE1 3.89Å; I169-Y172 PolarHBondContact O-N 2.95Å; I169-T173 WeakPolarHBondContact O-CB 3.4Å; I169-T173 PolarHBondContact O-N 3.47Å; I169-T173 PolarHBondContact O-OG1 2.79Å; I169-M333 HydrophobicContact CD1-CG 3.98Å; I169-M333 HydrophobicContact CG1-CG 4.23Å; I169-I336 HydrophobicContact CD1-CD1 3.71Å; I169-I336 HydrophobicContact CG2-CB 4.09Å; I169-I336 HydrophobicContact CG2-CG2 3.43Å; I169-I336 VanDerWaalsContact CG2-CG2 3.43Å; I169-L340 HydrophobicContact CG2-CD1 4.45Å |
| 170 | A | 85.3 | Confident | 84.7 | Confident | 7 Ų | 7 | 30.7 Ų | 30.7 | 6% | 0.058 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.2 | -41.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | G166 I167 A174 L375 | G166-A170 WeakPolarHBondContact O-CB 3.47Å; G166-A170 PolarHBondContact O-N 3.1Å; I167-A170 PolarHBondContact O-N 3.1Å; A170-A174 WeakPolarHBondContact O-CB 3.11Å; A170-A174 PolarHBondContact O-N 3.29Å; A170-L375 HydrophobicContact CB-CD2 4.25Å |
| 171 | L | 84.9 | Confident | 84.2 | Confident | 69 Ų | 69 | 27.5 Ų | 27.5 | 36% | 0.361 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -66.2 | -57.1 | 178.1 | -71.1 | 172.2 | 0 | 0 | 0 | 112.3 | I167 I169 T173 A174 F175 L375 | I167-L171 HydrophobicContact CG2-CD1 3.74Å; I167-L171 HydrophobicContact CG2-CG 4.29Å; I167-L171 WeakPolarHBondContact O-CB 3.45Å; I167-L171 VanDerWaalsContact O-CG 3.26Å; I167-L171 WeakPolarHBondContact O-CG 3.26Å; I167-L171 PolarHBondContact O-N 2.73Å; I169-L171 VanDerWaalsContact C-N 3.25Å; I169-L171 PolarHBondContact O-N 3.25Å; L171-T173 VanDerWaalsContact C-N 3.26Å; L171-T173 PolarHBondContact O-N 2.84Å; L171-A174 PolarHBondContact O-N 2.94Å; L171-F175 HydrophobicContact CD2-CE2 4.16Å; L171-F175 WeakPolarHBondContact O-CD2 3.33Å; L171-F175 PolarHBondContact O-N 3.12Å; L171-L375 HydrophobicContact CD2-CD2 4.19Å |
| 172 | Y | 82.8 | Confident | 83.6 | Confident | 5 Ų | 5 | 28.3 Ų | 28.3 | 2% | 0.02 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.5 | -31.1 | -175.6 | 93.6 | -97.9 | 0 | 0 | 0 | 112.2 | V16 S168 I169 F175 G176 M333 N337 | V16-Y172 HydrophobicContact CG1-CD2 4.48Å; V16-Y172 HydrophobicContact CG1-CE2 4.37Å; S168-Y172 WeakPolarHBondContact O-CD1 3.34Å; S168-Y172 PolarHBondContact O-N 3.42Å; S168-Y172 VanDerWaalsContact O-N 3.09Å; I169-Y172 HydrophobicContact CB-CD1 4.47Å; I169-Y172 HydrophobicContact CB-CE1 4.04Å; I169-Y172 HydrophobicContact CG1-CE1 3.96Å; I169-Y172 HydrophobicContact CG2-CE1 3.89Å; I169-Y172 PolarHBondContact O-N 2.95Å; Y172-F175 PolarHBondContact O-N 3.44Å; Y172-G176 PolarHBondContact O-N 3.41Å; Y172-M333 HydrophobicContact CD1-CE 4.21Å; Y172-M333 HydrophobicContact CE1-CE 3.53Å; Y172-M333 PolarHBondContact OH-O 3.01Å; Y172-N337 WeakPolarHBondContact OH-CB 3.43Å |
| 173 | T | 83.1 | Confident | 83.1 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.1 | -44.4 | 176.1 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | I169 L171 F175 N337 L340 T374 | I169-T173 WeakPolarHBondContact O-CB 3.4Å; I169-T173 PolarHBondContact O-N 3.47Å; I169-T173 PolarHBondContact O-OG1 2.79Å; L171-T173 VanDerWaalsContact C-N 3.26Å; L171-T173 PolarHBondContact O-N 2.84Å; T173-F175 PolarHBondContact O-N 3.43Å; T173-N337 VanDerWaalsContact CG2-OD1 3.24Å; T173-N337 WeakPolarHBondContact CG2-OD1 3.48Å; T173-L340 HydrophobicContact CG2-CB 3.76Å; T173-L340 HydrophobicContact CG2-CD1 3.96Å; T173-T374 HydrophobicContact CG2-CG2 3.85Å |
| 174 | A | 80.4 | Confident | 82.7 | Confident | 7 Ų | 7 | 28.3 Ų | 28.3 | 6% | 0.058 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.7 | -27.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A170 L171 A371 T374 L375 | A170-A174 WeakPolarHBondContact O-CB 3.11Å; A170-A174 PolarHBondContact O-N 3.29Å; L171-A174 PolarHBondContact O-N 2.94Å; A174-A371 HydrophobicContact CB-CB 4.37Å; A174-T374 HydrophobicContact CB-CG2 4.01Å; A174-L375 HydrophobicContact CB-CD2 4.44Å; A174-L375 HydrophobicContact CB-CG 4.34Å |
| 175 | F | 75.8 | Confident | 82.5 | Confident | 119 Ų | 119 | 24.7 Ų | 24.7 | 52% | 0.522 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -100.8 | -32.3 | -179.6 | -60.3 | -63.3 | 0 | 0 | 0 | 113.8 | M24 L171 Y172 T173 | M24-F175 HydrophobicContact CE-CB 4.47Å; M24-F175 WeakPolarHBondContact CG-O 3.33Å; M24-F175 HydrophobicContact SD-CB 4.11Å; L171-F175 HydrophobicContact CD2-CE2 4.16Å; L171-F175 WeakPolarHBondContact O-CD2 3.33Å; L171-F175 PolarHBondContact O-N 3.12Å; Y172-F175 PolarHBondContact O-N 3.44Å; T173-F175 PolarHBondContact O-N 3.43Å |
| 176 | G | 71.7 | Confident | 82.3 | Confident | 10 Ų | 10 | 26.1 Ų | 26.1 | 10% | 0.103 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -76 | -40.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y172 A180 | Y172-G176 PolarHBondContact O-N 3.41Å; G176-A180 VanDerWaalsContact C-CB 3.44Å; G176-A180 VanDerWaalsContact CA-CB 3.5Å; G176-A180 WeakPolarHBondContact O-CB 3.39Å |
| 177 | G | 76.5 | Confident | 82.2 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | 64.1 | -173.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | R179 A180 S181 | G177-R179 PolarHBondContact O-N 3.39Å; G177-A180 PolarHBondContact O-N 2.93Å; G177-S181 PolarHBondContact O-N 2.96Å |
| 178 | F | 72.7 | Confident | 82.2 | Confident | 9 Ų | 9 | 24.2 Ų | 24.2 | 4% | 0.039 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.9 | -44.4 | -173.2 | -165.6 | -101.8 | 0 | 0 | 0 | 112.9 | Y36 F37 L38 M43 A180 S181 V182 S262 L341 | Y36-F178 WeakPolarHBondContact O-CB 3.35Å; Y36-F178 PolarHBondContact O-N 3.3Å; F37-F178 WeakPolarHBondContact O-CD2 3.45Å; F37-F178 WeakPolarHBondContact O-CE2 3.39Å; F37-F178 WeakPolarHBondContact O-CG 3.34Å; L38-F178 VanDerWaalsContact O-CE1 3.31Å; L38-F178 WeakPolarHBondContact O-CE1 3.32Å; M43-F178 HydrophobicContact CE-CE1 3.47Å; M43-F178 VanDerWaalsContact CE-CE1 3.47Å; M43-F178 HydrophobicContact CE-CZ 3.71Å; F178-A180 VanDerWaalsContact C-N 3.32Å; F178-A180 PolarHBondContact O-N 3.26Å; F178-S181 CarbonylContact O-C 3.45Å; F178-S181 WeakPolarHBondContact O-CA 3.4Å; F178-S181 WeakPolarHBondContact O-CB 3.41Å; F178-S181 PolarHBondContact O-N 3.49Å; F178-V182 HydrophobicContact CD1-CG2 3.65Å; F178-V182 HydrophobicContact CE1-CG2 3.59Å; F178-V182 HydrophobicContact CG-CG2 4.34Å; F178-V182 HydrophobicContact CZ-CG2 4.2Å; F178-V182 VanDerWaalsContact O-CG2 3.28Å; F178-V182 WeakPolarHBondContact O-CG2 3.34Å; F178-V182 PolarHBondContact O-N 3.23Å; F178-S262 WeakPolarHBondContact CZ-OG 3.11Å; F178-L341 VanDerWaalsContact CA-CD2 3.47Å; F178-L341 HydrophobicContact CB-CD2 3.68Å; F178-L341 HydrophobicContact CD2-CD2 3.72Å; F178-L341 HydrophobicContact CG-CD2 4.2Å |
| 179 | R | 74.7 | Confident | 82.3 | Confident | 85 Ų | 85 | 22.9 Ų | 22.9 | 32% | 0.321 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -63.2 | -38.2 | -177.1 | -167.2 | 172.2 | -172.5 | 137.7 | 1.5 | 112.7 | G177 V182 L183 | G177-R179 PolarHBondContact O-N 3.39Å; R179-V182 PolarHBondContact O-N 3.49Å; R179-L183 PolarHBondContact O-N 2.98Å |
| 180 | A | 81.1 | Confident | 82.4 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.3 | -44.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111 | A23 G176 G177 F178 V182 L183 N184 | A23-A180 HydrophobicContact CB-CB 3.9Å; G176-A180 VanDerWaalsContact C-CB 3.44Å; G176-A180 VanDerWaalsContact CA-CB 3.5Å; G176-A180 WeakPolarHBondContact O-CB 3.39Å; G177-A180 PolarHBondContact O-N 2.93Å; F178-A180 VanDerWaalsContact C-N 3.32Å; F178-A180 PolarHBondContact O-N 3.26Å; A180-V182 VanDerWaalsContact C-N 3.32Å; A180-V182 PolarHBondContact O-N 2.71Å; A180-L183 PolarHBondContact O-N 3.5Å; A180-N184 WeakPolarHBondContact O-CB 3.04Å; A180-N184 PolarHBondContact O-N 3.23Å; A180-N184 PolarHBondContact O-ND2 3.45Å |
| 181 | S | 81.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -51.4 | -53.1 | 174.3 | -170.2 | 0 | 0 | 0 | 0 | 110.6 | G177 F178 L183 N184 D185 N337 | G177-S181 PolarHBondContact O-N 2.96Å; F178-S181 CarbonylContact O-C 3.45Å; F178-S181 WeakPolarHBondContact O-CA 3.4Å; F178-S181 WeakPolarHBondContact O-CB 3.41Å; F178-S181 PolarHBondContact O-N 3.49Å; S181-L183 VanDerWaalsContact C-N 3.33Å; S181-L183 PolarHBondContact O-N 3.43Å; S181-N184 CarbonylContact O-C 3.58Å; S181-N184 PolarHBondContact O-N 3.49Å; S181-N184 VanDerWaalsContact O-N 3.12Å; S181-D185 VanDerWaalsContact O-CB 3.3Å; S181-D185 WeakPolarHBondContact O-CB 3.27Å; S181-D185 PolarHBondContact O-N 2.96Å; S181-D185 VanDerWaalsContact O-OD2 3.04Å; S181-D185 PolarHBondContact OG-OD2 2.92Å; S181-N337 VanDerWaalsContact CA-ND2 3.32Å; S181-N337 WeakPolarHBondContact CA-ND2 3.36Å; S181-N337 WeakPolarHBondContact CB-ND2 3.39Å; S181-N337 PolarHBondContact OG-ND2 3.02Å |
| 182 | V | 80.6 | Confident | 83 | Confident | 16 Ų | 16 | 25.4 Ų | 25.4 | 10% | 0.097 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.9 | -40.1 | -174.6 | 175.3 | 0 | 0 | 0 | 0 | 112.9 | M43 V47 F178 R179 A180 T186 | M43-V182 HydrophobicContact CE-CB 4.11Å; M43-V182 HydrophobicContact CE-CG1 3.75Å; M43-V182 HydrophobicContact CE-CG2 3.15Å; M43-V182 HydrophobicContact CG-CG1 4.33Å; V47-V182 HydrophobicContact CG1-CG1 3.29Å; F178-V182 HydrophobicContact CD1-CG2 3.65Å; F178-V182 HydrophobicContact CE1-CG2 3.59Å; F178-V182 HydrophobicContact CG-CG2 4.34Å; F178-V182 HydrophobicContact CZ-CG2 4.2Å; F178-V182 VanDerWaalsContact O-CG2 3.28Å; F178-V182 WeakPolarHBondContact O-CG2 3.34Å; F178-V182 PolarHBondContact O-N 3.23Å; R179-V182 PolarHBondContact O-N 3.49Å; A180-V182 VanDerWaalsContact C-N 3.32Å; A180-V182 PolarHBondContact O-N 2.71Å; V182-T186 PolarHBondContact O-N 2.91Å; V182-T186 VanDerWaalsContact O-N 3.1Å; V182-T186 PolarHBondContact O-OG1 2.63Å |
| 183 | L | 83.6 | Confident | 83.5 | Confident | 71 Ų | 71 | 26.5 Ų | 26.5 | 37% | 0.372 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -69 | -43.2 | 176.4 | -72.1 | 169 | 0 | 0 | 0 | 111.5 | I19 A23 R179 A180 S181 T186 M187 | I19-L183 HydrophobicContact CG2-CB 3.55Å; I19-L183 HydrophobicContact CG2-CD1 4.44Å; A23-L183 HydrophobicContact CB-CD1 3.83Å; R179-L183 PolarHBondContact O-N 2.98Å; A180-L183 PolarHBondContact O-N 3.5Å; S181-L183 VanDerWaalsContact C-N 3.33Å; S181-L183 PolarHBondContact O-N 3.43Å; L183-T186 PolarHBondContact O-N 3.15Å; L183-M187 PolarHBondContact O-N 3.17Å |
| 184 | N | 86.5 | Confident | 84 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.4 | -49.4 | 174.8 | -73.4 | -23.7 | 0 | 0 | 0 | 110.9 | V16 I19 S20 A180 S181 T186 M187 Q188 | V16-N184 PolarHBondContact O-OD1 3.31Å; I19-N184 VanDerWaalsContact CB-OD1 3.29Å; I19-N184 WeakPolarHBondContact CB-OD1 3.45Å; I19-N184 WeakPolarHBondContact CG2-OD1 3.29Å; S20-N184 PolarHBondContact OG-ND2 2.98Å; A180-N184 WeakPolarHBondContact O-CB 3.04Å; A180-N184 PolarHBondContact O-N 3.23Å; A180-N184 PolarHBondContact O-ND2 3.45Å; S181-N184 CarbonylContact O-C 3.58Å; S181-N184 PolarHBondContact O-N 3.49Å; S181-N184 VanDerWaalsContact O-N 3.12Å; N184-T186 PolarHBondContact O-N 3.25Å; N184-M187 PolarHBondContact O-N 3.17Å; N184-M187 VanDerWaalsContact O-N 3.1Å; N184-Q188 WeakPolarHBondContact O-CB 3.35Å; N184-Q188 WeakPolarHBondContact O-CG 3.42Å; N184-Q188 PolarHBondContact O-N 3.37Å |
| 185 | D | 86.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58 | -37.7 | -178.6 | -61.1 | -25 | 0 | 0 | 0 | 110.9 | T51 A54 S181 Q188 G189 R259 S334 | T51-D185 HydrophobicContact CG2-CB 4Å; T51-D185 WeakPolarHBondContact CG2-OD2 3.3Å; A54-D185 HydrophobicContact CB-CB 4.3Å; S181-D185 VanDerWaalsContact O-CB 3.3Å; S181-D185 WeakPolarHBondContact O-CB 3.27Å; S181-D185 PolarHBondContact O-N 2.96Å; S181-D185 VanDerWaalsContact O-OD2 3.04Å; S181-D185 PolarHBondContact OG-OD2 2.92Å; D185-Q188 PolarHBondContact O-N 2.82Å; D185-Q188 PolarHBondContact OD1-OE1 3.5Å; D185-G189 PolarHBondContact O-N 2.92Å; D185-R259 IonicContact OD2-CZ 3.64Å; D185-R259 IonicContact OD2-NH1 3.81Å; D185-R259 IonicContact OD2-NH2 2.71Å; D185-R259 PolarHBondContact OD2-NH2 3.45Å; D185-S334 WeakPolarHBondContact OD1-CB 3.36Å; D185-S334 PolarHBondContact OD1-OG 3.39Å |
| 186 | T | 86.6 | Confident | 85.5 | Confident | 35 Ų | 35 | 24.4 Ų | 24.4 | 22% | 0.215 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.3 | -46.4 | 176.5 | -56.4 | 0 | 0 | 0 | 0 | 112.1 | M50 V182 L183 N184 L190 | M50-T186 HydrophobicContact CB-CG2 4.29Å; M50-T186 HydrophobicContact CG-CG2 4.3Å; V182-T186 PolarHBondContact O-N 2.91Å; V182-T186 VanDerWaalsContact O-N 3.1Å; V182-T186 PolarHBondContact O-OG1 2.63Å; L183-T186 PolarHBondContact O-N 3.15Å; N184-T186 PolarHBondContact O-N 3.25Å; T186-L190 PolarHBondContact O-N 2.9Å |
| 187 | M | 89 | Confident | 86.6 | Confident | 44 Ų | 44 | 27.2 Ų | 27.2 | 22% | 0.217 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.9 | -44.2 | 174.8 | -179.3 | -162.7 | 66.2 | 0 | 0 | 110.9 | Y12 V15 V16 I19 L183 N184 G189 L190 V191 | Y12-M187 HydrophobicContact CD2-CE 4.42Å; Y12-M187 HydrophobicContact CE2-CE 3.73Å; V15-M187 HydrophobicContact CG1-CE 4.45Å; V15-M187 HydrophobicContact CG1-SD 3.67Å; V16-M187 HydrophobicContact CG2-CE 3.68Å; I19-M187 HydrophobicContact CD1-CB 4.47Å; I19-M187 HydrophobicContact CD1-CE 4.1Å; I19-M187 HydrophobicContact CD1-SD 3.51Å; I19-M187 VanDerWaalsContact CD1-SD 3.51Å; L183-M187 PolarHBondContact O-N 3.17Å; N184-M187 PolarHBondContact O-N 3.17Å; N184-M187 VanDerWaalsContact O-N 3.1Å; M187-G189 PolarHBondContact O-N 2.88Å; M187-L190 WeakPolarHBondContact O-CB 3.3Å; M187-L190 PolarHBondContact O-N 3.41Å; M187-L190 VanDerWaalsContact O-N 3.09Å; M187-V191 HydrophobicContact CG-CG2 4.47Å; M187-V191 WeakPolarHBondContact O-CG2 3.28Å; M187-V191 PolarHBondContact O-N 2.96Å |
| 188 | Q | 90 | Very high | 87.5 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59 | -47 | -178.8 | -81.8 | 177.8 | -12.9 | 0 | 0 | 111.8 | Y12 N184 D185 L190 V191 M192 A330 S334 | Y12-Q188 WeakPolarHBondContact OH-CG 3.32Å; Y12-Q188 PolarHBondContact OH-NE2 2.94Å; N184-Q188 WeakPolarHBondContact O-CB 3.35Å; N184-Q188 WeakPolarHBondContact O-CG 3.42Å; N184-Q188 PolarHBondContact O-N 3.37Å; D185-Q188 PolarHBondContact O-N 2.82Å; D185-Q188 PolarHBondContact OD1-OE1 3.5Å; Q188-L190 PolarHBondContact O-N 3.4Å; Q188-V191 PolarHBondContact O-N 3.45Å; Q188-M192 WeakPolarHBondContact O-CB 3.4Å; Q188-M192 WeakPolarHBondContact O-CG 3.32Å; Q188-M192 PolarHBondContact O-N 3.32Å; Q188-A330 HydrophobicContact CB-CB 3.63Å; Q188-A330 HydrophobicContact CG-CB 3.58Å; Q188-A330 PolarHBondContact OE1-O 2.92Å; Q188-S334 VanDerWaalsContact OE1-CB 3.3Å |
| 189 | G | 88.8 | Confident | 88.5 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.7 | -33.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | M50 D185 M187 M192 L193 | M50-G189 VanDerWaalsContact CE-CA 3.47Å; M50-G189 WeakPolarHBondContact CE-O 3.33Å; D185-G189 PolarHBondContact O-N 2.92Å; M187-G189 PolarHBondContact O-N 2.88Å; G189-M192 PolarHBondContact O-N 3.39Å; G189-L193 WeakPolarHBondContact O-CG 3.36Å; G189-L193 PolarHBondContact O-N 3.19Å |
| 190 | L | 89.2 | Confident | 89.6 | Confident | 97 Ų | 97 | 26.2 Ų | 26.2 | 51% | 0.508 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -70.5 | -43.7 | 176.6 | -175.2 | 69.1 | 0 | 0 | 0 | 110.9 | M50 T186 M187 Q188 M192 L193 I194 | M50-L190 HydrophobicContact CE-CB 4.28Å; T186-L190 PolarHBondContact O-N 2.9Å; M187-L190 WeakPolarHBondContact O-CB 3.3Å; M187-L190 PolarHBondContact O-N 3.41Å; M187-L190 VanDerWaalsContact O-N 3.09Å; Q188-L190 PolarHBondContact O-N 3.4Å; L190-M192 VanDerWaalsContact C-N 3.28Å; L190-M192 PolarHBondContact O-N 2.75Å; L190-L193 PolarHBondContact O-N 2.82Å; L190-I194 HydrophobicContact CD1-CD1 4.39Å; L190-I194 HydrophobicContact CG-CD1 4.08Å; L190-I194 WeakPolarHBondContact O-CG1 3.17Å; L190-I194 PolarHBondContact O-N 3.12Å; L190-I194 VanDerWaalsContact O-N 3.07Å |
| 191 | V | 90.6 | Very high | 90.3 | Very high | 32 Ų | 32 | 31.4 Ų | 31.4 | 19% | 0.194 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59 | -42.6 | 174 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | M187 Q188 G195 A326 A327 | M187-V191 HydrophobicContact CG-CG2 4.47Å; M187-V191 WeakPolarHBondContact O-CG2 3.28Å; M187-V191 PolarHBondContact O-N 2.96Å; Q188-V191 PolarHBondContact O-N 3.45Å; V191-G195 PolarHBondContact O-N 2.84Å; V191-A326 HydrophobicContact CG1-CB 3.76Å; V191-A327 HydrophobicContact CG1-CB 4.25Å |
| 192 | M | 92.2 | Very high | 91 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.6 | -46.1 | 176.1 | -70.8 | 160.7 | 70.2 | 0 | 0 | 112 | A54 I57 F62 Q188 G189 L190 T196 L283 A327 A330 A331 | A54-M192 HydrophobicContact CB-SD 4.28Å; I57-M192 HydrophobicContact CB-CE 3.66Å; I57-M192 HydrophobicContact CD1-CE 4.43Å; I57-M192 HydrophobicContact CG2-CE 3.4Å; I57-M192 VanDerWaalsContact CG2-CE 3.4Å; F62-M192 HydrophobicContact CD2-CE 4.17Å; F62-M192 HydrophobicContact CE2-CB 4.27Å; F62-M192 HydrophobicContact CE2-CE 3.46Å; F62-M192 VanDerWaalsContact CE2-CE 3.46Å; F62-M192 HydrophobicContact CE2-CG 4.19Å; F62-M192 HydrophobicContact CZ-CB 3.8Å; F62-M192 HydrophobicContact CZ-CE 4.16Å; F62-M192 HydrophobicContact CZ-CG 3.96Å; Q188-M192 WeakPolarHBondContact O-CB 3.4Å; Q188-M192 WeakPolarHBondContact O-CG 3.32Å; Q188-M192 PolarHBondContact O-N 3.32Å; G189-M192 PolarHBondContact O-N 3.39Å; L190-M192 VanDerWaalsContact C-N 3.28Å; L190-M192 PolarHBondContact O-N 2.75Å; M192-T196 WeakPolarHBondContact O-CB 3.47Å; M192-T196 PolarHBondContact O-N 3.25Å; M192-T196 PolarHBondContact O-OG1 3.45Å; M192-L283 VanDerWaalsContact C-CD2 3.48Å; M192-L283 HydrophobicContact CB-CD1 4.28Å; M192-L283 HydrophobicContact CB-CD2 4.03Å; M192-L283 HydrophobicContact CE-CD1 4.33Å; M192-L283 WeakPolarHBondContact O-CD2 3.48Å; M192-A327 WeakPolarHBondContact CG-O 3.17Å; M192-A330 HydrophobicContact CG-CB 3.86Å; M192-A330 HydrophobicContact SD-CB 4.1Å; M192-A331 HydrophobicContact CE-CB 3.66Å; M192-A331 HydrophobicContact SD-CB 4.13Å |
| 193 | L | 92.5 | Very high | 91.8 | Very high | 28 Ų | 28 | 31.1 Ų | 31.1 | 15% | 0.147 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.7 | -52.6 | 179.1 | -82.1 | 165.8 | 0 | 0 | 0 | 111.7 | M50 G189 L190 T196 V197 V279 I282 L283 | M50-L193 HydrophobicContact CE-CD1 3.9Å; G189-L193 WeakPolarHBondContact O-CG 3.36Å; G189-L193 PolarHBondContact O-N 3.19Å; L190-L193 PolarHBondContact O-N 2.82Å; L193-T196 PolarHBondContact O-N 3Å; L193-V197 WeakPolarHBondContact O-CG2 3.29Å; L193-V197 PolarHBondContact O-N 3.48Å; L193-V197 VanDerWaalsContact O-N 3.15Å; L193-V279 HydrophobicContact CD1-CG1 3.96Å; L193-V279 HydrophobicContact CD1-CG2 3.98Å; L193-V279 HydrophobicContact CD2-CB 4.44Å; L193-V279 HydrophobicContact CD2-CG1 3.91Å; L193-V279 HydrophobicContact CD2-CG2 4.44Å; L193-V279 HydrophobicContact CG-CG1 3.97Å; L193-I282 HydrophobicContact CD2-CB 4.02Å; L193-I282 HydrophobicContact CD2-CD1 4.22Å; L193-I282 HydrophobicContact CD2-CG2 3.84Å; L193-L283 HydrophobicContact CD2-CD2 4.12Å; L193-L283 HydrophobicContact CD2-CG 4.06Å; L193-L283 HydrophobicContact CG-CD2 4.3Å; L193-L283 HydrophobicContact CG-CG 4.47Å |
| 194 | I | 93 | Very high | 92.4 | Very high | 82 Ų | 82 | 29.6 Ų | 29.6 | 42% | 0.421 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.9 | -45.5 | -178.4 | -58.4 | 169.9 | 0 | 0 | 0 | 109.7 | L190 T196 V197 V198 F324 | L190-I194 HydrophobicContact CD1-CD1 4.39Å; L190-I194 HydrophobicContact CG-CD1 4.08Å; L190-I194 WeakPolarHBondContact O-CG1 3.17Å; L190-I194 PolarHBondContact O-N 3.12Å; L190-I194 VanDerWaalsContact O-N 3.07Å; I194-T196 VanDerWaalsContact C-N 3.32Å; I194-T196 PolarHBondContact O-N 3.35Å; I194-V197 PolarHBondContact O-N 2.75Å; I194-V198 HydrophobicContact CG2-CG2 4.15Å; I194-V198 WeakPolarHBondContact O-CB 3.16Å; I194-V198 WeakPolarHBondContact O-CG2 3.29Å; I194-V198 PolarHBondContact O-N 3.03Å; I194-F324 HydrophobicContact CB-CE1 4.42Å; I194-F324 HydrophobicContact CG2-CE1 3.61Å; I194-F324 HydrophobicContact CG2-CZ 4.2Å |
| 195 | G | 93 | Very high | 92.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.9 | -40.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | V191 L199 | V191-G195 PolarHBondContact O-N 2.84Å; G195-L199 WeakPolarHBondContact O-CB 3.5Å; G195-L199 PolarHBondContact O-N 3.15Å |
| 196 | T | 95 | Very high | 93.3 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.8 | -48.4 | 176.9 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | F62 M192 L193 I194 L199 L200 L283 M287 | F62-T196 WeakPolarHBondContact CZ-OG1 3.2Å; M192-T196 WeakPolarHBondContact O-CB 3.47Å; M192-T196 PolarHBondContact O-N 3.25Å; M192-T196 PolarHBondContact O-OG1 3.45Å; L193-T196 PolarHBondContact O-N 3Å; I194-T196 VanDerWaalsContact C-N 3.32Å; I194-T196 PolarHBondContact O-N 3.35Å; T196-L199 PolarHBondContact O-N 3.21Å; T196-L200 WeakPolarHBondContact O-CB 3.34Å; T196-L200 PolarHBondContact O-N 2.79Å; T196-L283 HydrophobicContact CG2-CD2 4.41Å; T196-L283 WeakPolarHBondContact OG1-CD2 3.17Å; T196-M287 HydrophobicContact CG2-CG 3.72Å; T196-M287 HydrophobicContact CG2-SD 3.81Å; T196-M287 WeakPolarHBondContact OG1-CG 3.45Å; T196-M287 PolarHBondContact OG1-SD 3.41Å; T196-M287 VanDerWaalsContact OG1-SD 3.41Å |
| 197 | V | 95.1 | Very high | 93.8 | Very high | 69 Ų | 69 | 38.3 Ų | 38.3 | 42% | 0.418 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.4 | -47 | -178.8 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | L193 I194 L199 L200 I201 I282 | L193-V197 WeakPolarHBondContact O-CG2 3.29Å; L193-V197 PolarHBondContact O-N 3.48Å; L193-V197 VanDerWaalsContact O-N 3.15Å; I194-V197 PolarHBondContact O-N 2.75Å; V197-L199 PolarHBondContact O-N 3.1Å; V197-L200 PolarHBondContact O-N 3.04Å; V197-I201 HydrophobicContact CG1-CD1 3.82Å; V197-I201 VanDerWaalsContact O-CG1 3.29Å; V197-I201 WeakPolarHBondContact O-CG1 3.47Å; V197-I201 PolarHBondContact O-N 3.48Å; V197-I282 HydrophobicContact CG2-CG2 4.14Å |
| 198 | V | 94.8 | Very high | 94.1 | Very high | 42 Ų | 42 | 38.9 Ų | 38.9 | 26% | 0.255 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.1 | -44 | 179.7 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | I194 I201 G202 L316 F324 | I194-V198 HydrophobicContact CG2-CG2 4.15Å; I194-V198 WeakPolarHBondContact O-CB 3.16Å; I194-V198 WeakPolarHBondContact O-CG2 3.29Å; I194-V198 PolarHBondContact O-N 3.03Å; V198-I201 PolarHBondContact O-N 3.48Å; V198-G202 PolarHBondContact O-N 3.39Å; V198-L316 HydrophobicContact CG1-CD1 4.41Å; V198-L316 HydrophobicContact CG1-CD2 3.83Å; V198-F324 HydrophobicContact CB-CD2 4.47Å; V198-F324 HydrophobicContact CB-CE1 4.49Å; V198-F324 HydrophobicContact CB-CE2 4.27Å; V198-F324 HydrophobicContact CB-CZ 4.28Å; V198-F324 HydrophobicContact CG1-CD2 3.88Å; V198-F324 HydrophobicContact CG1-CE2 3.71Å; V198-F324 HydrophobicContact CG1-CG 4.5Å; V198-F324 HydrophobicContact CG1-CZ 4.18Å; V198-F324 HydrophobicContact CG2-CE1 4.2Å; V198-F324 HydrophobicContact CG2-CE2 4.26Å; V198-F324 HydrophobicContact CG2-CZ 3.88Å |
| 199 | L | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.7 | -48.1 | 177.1 | 179.4 | 60.6 | 0 | 0 | 0 | 111.2 | G195 T196 V197 I201 G202 V203 M287 A290 I308 L311 M312 V315 | G195-L199 WeakPolarHBondContact O-CB 3.5Å; G195-L199 PolarHBondContact O-N 3.15Å; T196-L199 PolarHBondContact O-N 3.21Å; V197-L199 PolarHBondContact O-N 3.1Å; L199-I201 VanDerWaalsContact C-N 3.32Å; L199-I201 PolarHBondContact O-N 3.42Å; L199-G202 PolarHBondContact O-N 3.21Å; L199-G202 VanDerWaalsContact O-N 3.11Å; L199-V203 HydrophobicContact CD1-CG2 3.99Å; L199-V203 HydrophobicContact CG-CG2 4.23Å; L199-V203 VanDerWaalsContact O-CG2 3.3Å; L199-V203 WeakPolarHBondContact O-CG2 3.44Å; L199-V203 PolarHBondContact O-N 2.94Å; L199-M287 HydrophobicContact CD2-CE 3.99Å; L199-M287 HydrophobicContact CD2-SD 4.29Å; L199-A290 HydrophobicContact CD2-CB 4.38Å; L199-A290 HydrophobicContact CG-CB 4.36Å; L199-I308 HydrophobicContact CD2-CD1 3.96Å; L199-I308 HydrophobicContact CD2-CG2 3.94Å; L199-L311 HydrophobicContact CD1-CB 4.12Å; L199-M312 HydrophobicContact CD1-CG 3.83Å; L199-M312 HydrophobicContact CD2-CE 3.9Å; L199-M312 HydrophobicContact CD2-CG 4.17Å; L199-V315 HydrophobicContact CD1-CG2 3.95Å |
| 200 | L | 96.3 | Very high | 94.6 | Very high | 33 Ų | 33 | 44.6 Ų | 44.6 | 17% | 0.173 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.1 | -44 | 179.9 | -179.2 | 64 | 0 | 0 | 0 | 111.6 | T196 V197 G202 V203 V204 L289 A290 L293 | T196-L200 WeakPolarHBondContact O-CB 3.34Å; T196-L200 PolarHBondContact O-N 2.79Å; V197-L200 PolarHBondContact O-N 3.04Å; L200-G202 VanDerWaalsContact C-N 3.34Å; L200-G202 PolarHBondContact O-N 3.45Å; L200-V203 PolarHBondContact O-N 2.82Å; L200-V204 HydrophobicContact CD1-CG2 4.33Å; L200-V204 VanDerWaalsContact O-CG2 3.31Å; L200-V204 WeakPolarHBondContact O-CG2 3.18Å; L200-V204 PolarHBondContact O-N 3.06Å; L200-L289 HydrophobicContact CD1-CB 4.18Å; L200-L289 HydrophobicContact CD1-CD2 3.96Å; L200-L289 HydrophobicContact CD1-CG 3.96Å; L200-L289 HydrophobicContact CD2-CD2 4.32Å; L200-A290 HydrophobicContact CD1-CB 4.18Å; L200-L293 HydrophobicContact CD1-CD1 4.47Å |
| 201 | I | 96.1 | Very high | 95 | Very high | 109 Ų | 109 | 44.7 Ų | 44.7 | 56% | 0.559 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.2 | -46.1 | 174.9 | -67.8 | 167.4 | 0 | 0 | 0 | 110.5 | V197 V198 L199 V203 V204 H205 | V197-I201 HydrophobicContact CG1-CD1 3.82Å; V197-I201 VanDerWaalsContact O-CG1 3.29Å; V197-I201 WeakPolarHBondContact O-CG1 3.47Å; V197-I201 PolarHBondContact O-N 3.48Å; V198-I201 PolarHBondContact O-N 3.48Å; L199-I201 VanDerWaalsContact C-N 3.32Å; L199-I201 PolarHBondContact O-N 3.42Å; I201-V203 PolarHBondContact O-N 3.08Å; I201-V204 PolarHBondContact O-N 2.86Å; I201-H205 WeakPolarHBondContact O-CB 3.17Å; I201-H205 PolarHBondContact O-N 3.14Å |
| 202 | G | 95.7 | Very high | 95.3 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.3 | -43 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V198 L199 L200 H205 A206 | V198-G202 PolarHBondContact O-N 3.39Å; L199-G202 PolarHBondContact O-N 3.21Å; L199-G202 VanDerWaalsContact O-N 3.11Å; L200-G202 VanDerWaalsContact C-N 3.34Å; L200-G202 PolarHBondContact O-N 3.45Å; G202-H205 PolarHBondContact O-N 3.01Å; G202-A206 VanDerWaalsContact O-CB 3.28Å; G202-A206 WeakPolarHBondContact O-CB 3.39Å; G202-A206 PolarHBondContact O-N 2.93Å |
| 203 | V | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.1 | -47.4 | 177 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | L199 L200 I201 H205 A206 A207 A290 L293 V297 L311 V315 | L199-V203 HydrophobicContact CD1-CG2 3.99Å; L199-V203 HydrophobicContact CG-CG2 4.23Å; L199-V203 VanDerWaalsContact O-CG2 3.3Å; L199-V203 WeakPolarHBondContact O-CG2 3.44Å; L199-V203 PolarHBondContact O-N 2.94Å; L200-V203 PolarHBondContact O-N 2.82Å; I201-V203 PolarHBondContact O-N 3.08Å; V203-H205 VanDerWaalsContact C-N 3.3Å; V203-H205 PolarHBondContact O-N 3.31Å; V203-A206 PolarHBondContact O-N 2.72Å; V203-A207 VanDerWaalsContact O-CB 3.32Å; V203-A207 WeakPolarHBondContact O-CB 3.38Å; V203-A207 PolarHBondContact O-N 2.82Å; V203-A290 HydrophobicContact CG2-CB 4.39Å; V203-L293 HydrophobicContact CG1-CB 3.89Å; V203-V297 HydrophobicContact CG1-CG2 4.29Å; V203-L311 HydrophobicContact CG2-CB 4.3Å; V203-L311 HydrophobicContact CG2-CD1 3.86Å; V203-L311 HydrophobicContact CG2-CD2 4.17Å; V203-L311 HydrophobicContact CG2-CG 4.35Å; V203-V315 HydrophobicContact CG2-CG2 4.36Å |
| 204 | V | 97.3 | Very high | 95.7 | Very high | 39 Ų | 39 | 47.7 Ų | 47.7 | 24% | 0.236 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 178 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | L200 I201 A207 G208 G209 L293 | L200-V204 HydrophobicContact CD1-CG2 4.33Å; L200-V204 VanDerWaalsContact O-CG2 3.31Å; L200-V204 WeakPolarHBondContact O-CG2 3.18Å; L200-V204 PolarHBondContact O-N 3.06Å; I201-V204 PolarHBondContact O-N 2.86Å; V204-A207 PolarHBondContact O-N 3.01Å; V204-G208 PolarHBondContact O-N 2.92Å; V204-G209 WeakPolarHBondContact O-CA 3.4Å; V204-G209 PolarHBondContact O-N 3.38Å; V204-L293 HydrophobicContact CG2-CD1 3.93Å |
| 205 | H | 96.4 | Very high | 95.9 | Very high | 159 Ų | 159 | 49.3 Ų | 49.3 | 74% | 0.736 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.5 | -48.2 | 175.9 | -178.4 | 68.8 | 0 | 0 | 0 | 112 | I201 G202 V203 A207 G208 | I201-H205 WeakPolarHBondContact O-CB 3.17Å; I201-H205 PolarHBondContact O-N 3.14Å; G202-H205 PolarHBondContact O-N 3.01Å; V203-H205 VanDerWaalsContact C-N 3.3Å; V203-H205 PolarHBondContact O-N 3.31Å; H205-A207 VanDerWaalsContact C-N 3.25Å; H205-A207 PolarHBondContact O-N 3.35Å; H205-G208 PolarHBondContact O-N 2.73Å |
| 206 | A | 95.9 | Very high | 96.1 | Very high | 50 Ų | 50 | 51.3 Ų | 51.3 | 41% | 0.413 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.5 | -28.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G202 V203 G208 V297 V315 | G202-A206 VanDerWaalsContact O-CB 3.28Å; G202-A206 WeakPolarHBondContact O-CB 3.39Å; G202-A206 PolarHBondContact O-N 2.93Å; V203-A206 PolarHBondContact O-N 2.72Å; A206-G208 PolarHBondContact O-N 2.96Å; A206-V297 HydrophobicContact CB-CG1 4.03Å; A206-V297 HydrophobicContact CB-CG2 4.09Å; A206-V315 HydrophobicContact CB-CB 4.13Å; A206-V315 HydrophobicContact CB-CG1 3.63Å |
| 207 | A | 95.4 | Very high | 96.1 | Very high | 9 Ų | 9 | 51.3 Ų | 51.3 | 7% | 0.074 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -0.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V203 V204 H205 N212 A213 A296 V297 | V203-A207 VanDerWaalsContact O-CB 3.32Å; V203-A207 WeakPolarHBondContact O-CB 3.38Å; V203-A207 PolarHBondContact O-N 2.82Å; V204-A207 PolarHBondContact O-N 3.01Å; H205-A207 VanDerWaalsContact C-N 3.25Å; H205-A207 PolarHBondContact O-N 3.35Å; A207-N212 PolarHBondContact O-ND2 3.26Å; A207-A213 HydrophobicContact CB-CB 3.64Å; A207-A296 HydrophobicContact CB-CB 4.42Å; A207-V297 HydrophobicContact CB-CG2 3.84Å |
| 208 | G | 95.1 | Very high | 96.2 | Very high | 56 Ų | 56 | 53.1 Ų | 53.1 | 58% | 0.577 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 23.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | V204 H205 A206 | V204-G208 PolarHBondContact O-N 2.92Å; H205-G208 PolarHBondContact O-N 2.73Å; A206-G208 PolarHBondContact O-N 2.96Å |
| 209 | G | 95.9 | Very high | 96.3 | Very high | 26 Ų | 26 | 56.4 Ų | 56.4 | 27% | 0.268 | 33% | 0.334 | S | S | . | . | S | Bend | trans | 100.9 | 163.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V204 S211 N212 A213 | V204-G209 WeakPolarHBondContact O-CA 3.4Å; V204-G209 PolarHBondContact O-N 3.38Å; G209-S211 PolarHBondContact O-N 3.11Å; G209-N212 PolarHBondContact O-N 3.34Å; G209-A213 PolarHBondContact O-N 3.26Å |
| 210 | L | 95 | Very high | 96.3 | Very high | 94 Ų | 94 | 59.7 Ų | 59.7 | 49% | 0.492 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | -172.4 | -175.2 | 63.7 | 0 | 0 | 0 | 112.9 | N212 A213 V214 L293 | L210-N212 VanDerWaalsContact C-N 3.34Å; L210-N212 PolarHBondContact O-N 2.93Å; L210-A213 WeakPolarHBondContact O-CB 3.23Å; L210-A213 PolarHBondContact O-N 2.9Å; L210-V214 HydrophobicContact CD1-CG2 4.48Å; L210-V214 WeakPolarHBondContact O-CG2 3.36Å; L210-V214 PolarHBondContact O-N 3.1Å; L210-L293 HydrophobicContact CD1-CD1 3.61Å; L210-L293 HydrophobicContact CD1-CD2 4.1Å |
| 211 | S | 96.4 | Very high | 96.2 | Very high | 100 Ų | 100 | 60.5 Ų | 60.5 | 70% | 0.699 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.1 | -42.6 | 178.8 | -170.2 | 0 | 0 | 0 | 0 | 111.8 | G209 Q215 | G209-S211 PolarHBondContact O-N 3.11Å; S211-Q215 WeakPolarHBondContact O-CB 3.06Å; S211-Q215 PolarHBondContact O-N 3.43Å |
| 212 | N | 96.7 | Very high | 96.2 | Very high | 75 Ų | 75 | 59.1 Ų | 59.1 | 40% | 0.401 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.5 | -38 | 179 | -169.1 | 43.6 | 0 | 0 | 0 | 111.4 | A207 G209 L210 Q215 T216 | A207-N212 PolarHBondContact O-ND2 3.26Å; G209-N212 PolarHBondContact O-N 3.34Å; L210-N212 VanDerWaalsContact C-N 3.34Å; L210-N212 PolarHBondContact O-N 2.93Å; N212-Q215 PolarHBondContact O-N 2.95Å; N212-T216 WeakPolarHBondContact O-CB 3.38Å; N212-T216 PolarHBondContact O-N 3.42Å; N212-T216 PolarHBondContact O-OG1 2.69Å |
| 213 | A | 96.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.3 | -51.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A207 G209 L210 Q215 T216 L217 L293 A296 | A207-A213 HydrophobicContact CB-CB 3.64Å; G209-A213 PolarHBondContact O-N 3.26Å; L210-A213 WeakPolarHBondContact O-CB 3.23Å; L210-A213 PolarHBondContact O-N 2.9Å; A213-Q215 PolarHBondContact O-N 3.08Å; A213-T216 WeakPolarHBondContact O-CB 3.27Å; A213-T216 PolarHBondContact O-N 3.24Å; A213-L217 WeakPolarHBondContact O-CG 3.47Å; A213-L217 PolarHBondContact O-N 3.36Å; A213-L293 HydrophobicContact CB-CD2 3.97Å; A213-A296 HydrophobicContact CB-CB 4.29Å |
| 214 | V | 96.9 | Very high | 96.1 | Very high | 47 Ų | 47 | 61.9 Ų | 61.9 | 29% | 0.285 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | -179.9 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | L74 L210 T216 L217 Q218 V225 | L74-V214 HydrophobicContact CD1-CG2 4.42Å; L210-V214 HydrophobicContact CD1-CG2 4.48Å; L210-V214 WeakPolarHBondContact O-CG2 3.36Å; L210-V214 PolarHBondContact O-N 3.1Å; V214-T216 VanDerWaalsContact C-N 3.32Å; V214-T216 PolarHBondContact O-N 2.86Å; V214-L217 PolarHBondContact O-N 2.91Å; V214-Q218 WeakPolarHBondContact O-CB 3.36Å; V214-Q218 PolarHBondContact O-N 2.67Å; V214-V225 HydrophobicContact CG1-CG1 3.96Å |
| 215 | Q | 97.1 | Very high | 96 | Very high | 116 Ų | 116 | 62.1 Ų | 62.1 | 54% | 0.542 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 175.9 | -173.6 | 175.9 | 3.5 | 0 | 0 | 112 | S211 N212 A213 Q218 T219 | S211-Q215 WeakPolarHBondContact O-CB 3.06Å; S211-Q215 PolarHBondContact O-N 3.43Å; N212-Q215 PolarHBondContact O-N 2.95Å; A213-Q215 PolarHBondContact O-N 3.08Å; Q215-Q218 PolarHBondContact O-N 3.18Å; Q215-T219 WeakPolarHBondContact O-CB 3.23Å; Q215-T219 PolarHBondContact O-N 3.43Å; Q215-T219 PolarHBondContact O-OG1 2.98Å |
| 216 | T | 96.9 | Very high | 96 | Very high | 42 Ų | 42 | 56.5 Ų | 56.5 | 26% | 0.258 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 175.2 | -56.9 | 0 | 0 | 0 | 0 | 110.5 | N212 A213 V214 Q218 T219 I220 A296 | N212-T216 WeakPolarHBondContact O-CB 3.38Å; N212-T216 PolarHBondContact O-N 3.42Å; N212-T216 PolarHBondContact O-OG1 2.69Å; A213-T216 WeakPolarHBondContact O-CB 3.27Å; A213-T216 PolarHBondContact O-N 3.24Å; V214-T216 VanDerWaalsContact C-N 3.32Å; V214-T216 PolarHBondContact O-N 2.86Å; T216-Q218 PolarHBondContact O-N 3.31Å; T216-T219 WeakPolarHBondContact O-CB 3.47Å; T216-T219 PolarHBondContact O-N 3.47Å; T216-T219 VanDerWaalsContact O-N 3.15Å; T216-I220 HydrophobicContact CG2-CD1 4.01Å; T216-I220 HydrophobicContact CG2-CG1 4.49Å; T216-I220 WeakPolarHBondContact O-CG1 3.41Å; T216-I220 PolarHBondContact O-N 3.48Å; T216-A296 HydrophobicContact CG2-CB 3.83Å |
| 217 | L | 96.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.4 | -47.9 | 174.6 | -65.6 | -178.5 | 0 | 0 | 0 | 111.5 | L74 A213 V214 T219 I220 D221 L224 V225 L293 R295 A296 | L74-L217 HydrophobicContact CG-CD1 4.36Å; A213-L217 WeakPolarHBondContact O-CG 3.47Å; A213-L217 PolarHBondContact O-N 3.36Å; V214-L217 PolarHBondContact O-N 2.91Å; L217-T219 PolarHBondContact O-N 3.17Å; L217-I220 PolarHBondContact O-N 3.45Å; L217-I220 VanDerWaalsContact O-N 3.17Å; L217-D221 CarbonylContact O-C 3.48Å; L217-D221 PolarHBondContact O-N 3.19Å; L217-L224 HydrophobicContact CB-CB 4.32Å; L217-L224 HydrophobicContact CD2-CD1 4.44Å; L217-V225 HydrophobicContact CB-CG1 3.87Å; L217-L293 HydrophobicContact CD1-CD2 4.13Å; L217-R295 HydrophobicContact CD2-CB 3.62Å; L217-R295 HydrophobicContact CD2-CG 4.03Å; L217-A296 HydrophobicContact CD2-CB 4.29Å |
| 218 | Q | 96.2 | Very high | 95.6 | Very high | 107 Ų | 107 | 61.9 Ų | 61.9 | 50% | 0.5 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62 | -30.3 | 178 | -171.9 | 176.8 | 9.7 | 0 | 0 | 112.8 | V214 Q215 T216 P222 V225 | V214-Q218 WeakPolarHBondContact O-CB 3.36Å; V214-Q218 PolarHBondContact O-N 2.67Å; Q215-Q218 PolarHBondContact O-N 3.18Å; T216-Q218 PolarHBondContact O-N 3.31Å; Q218-P222 WeakPolarHBondContact O-CD 3.48Å; Q218-V225 HydrophobicContact CB-CG1 4.37Å; Q218-V225 HydrophobicContact CB-CG2 4.16Å; Q218-V225 HydrophobicContact CG-CG2 4.18Å |
| 219 | T | 96.6 | Very high | 95.5 | Very high | 112 Ų | 112 | 59.2 Ų | 59.2 | 69% | 0.687 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -76 | -38 | 176.1 | -55.1 | 0 | 0 | 0 | 0 | 111.9 | Q215 T216 L217 | Q215-T219 WeakPolarHBondContact O-CB 3.23Å; Q215-T219 PolarHBondContact O-N 3.43Å; Q215-T219 PolarHBondContact O-OG1 2.98Å; T216-T219 WeakPolarHBondContact O-CB 3.47Å; T216-T219 PolarHBondContact O-N 3.47Å; T216-T219 VanDerWaalsContact O-N 3.15Å; L217-T219 PolarHBondContact O-N 3.17Å |
| 220 | I | 95.3 | Very high | 95.3 | Very high | 68 Ų | 68 | 58.3 Ų | 58.3 | 35% | 0.349 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65 | -52.5 | 175.4 | -69.3 | 166.4 | 0 | 0 | 0 | 109.6 | T216 L217 L224 R295 P299 | T216-I220 HydrophobicContact CG2-CD1 4.01Å; T216-I220 HydrophobicContact CG2-CG1 4.49Å; T216-I220 WeakPolarHBondContact O-CG1 3.41Å; T216-I220 PolarHBondContact O-N 3.48Å; L217-I220 PolarHBondContact O-N 3.45Å; L217-I220 VanDerWaalsContact O-N 3.17Å; I220-L224 HydrophobicContact CB-CD1 4.29Å; I220-L224 HydrophobicContact CG2-CD1 3.93Å; I220-R295 HydrophobicContact CD1-CG 4.3Å; I220-R295 WeakPolarHBondContact CD1-O 2.99Å; I220-P299 HydrophobicContact CD1-CB 4.06Å |
| 221 | D | 94.8 | Very high | 94.9 | Very high | 50 Ų | 50 | 59.6 Ų | 59.6 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | trans | -159.5 | 117.8 | 175.9 | 174.9 | 3.2 | 0 | 0 | 0 | 109.3 | L217 Q223 L224 | L217-D221 CarbonylContact O-C 3.48Å; L217-D221 PolarHBondContact O-N 3.19Å; D221-Q223 PolarHBondContact O-N 2.85Å; D221-Q223 VanDerWaalsContact O-N 3.09Å; D221-Q223 WeakPolarHBondContact OD1-CB 3.37Å; D221-Q223 PolarHBondContact OD1-N 3.38Å; D221-L224 HydrophobicContact CB-CD1 3.88Å; D221-L224 HydrophobicContact CB-CG 3.91Å; D221-L224 WeakPolarHBondContact O-CB 3.43Å; D221-L224 PolarHBondContact O-N 2.99Å | ||
| 222 | P | 95.6 | Very high | 94.6 | Very high | 80 Ų | 80 | 59.4 Ų | 59.4 | 52% | 0.519 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -54.4 | -27.1 | 176.8 | -26.4 | 34.7 | 0 | 0 | 0 | 114.5 | Q218 L224 V225 | Q218-P222 WeakPolarHBondContact O-CD 3.48Å; P222-L224 VanDerWaalsContact C-N 3.26Å; P222-L224 PolarHBondContact O-N 3.4Å; P222-V225 WeakPolarHBondContact O-CG2 3.25Å; P222-V225 PolarHBondContact O-N 3.04Å |
| 223 | Q | 95.4 | Very high | 94.2 | Very high | 62 Ų | 62 | 57.6 Ų | 57.6 | 29% | 0.29 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -70.1 | -20.1 | 177.5 | -64.1 | -167.7 | -21.4 | 0 | 0 | 113.1 | D221 V225 T226 G229 | D221-Q223 PolarHBondContact O-N 2.85Å; D221-Q223 VanDerWaalsContact O-N 3.09Å; D221-Q223 WeakPolarHBondContact OD1-CB 3.37Å; D221-Q223 PolarHBondContact OD1-N 3.38Å; Q223-V225 PolarHBondContact O-N 3.36Å; Q223-V225 VanDerWaalsContact O-N 3.15Å; Q223-T226 PolarHBondContact O-N 3.38Å; Q223-T226 PolarHBondContact O-OG1 3.04Å; Q223-G229 CarbonylContact O-C 3.51Å |
| 224 | L | 95.7 | Very high | 94 | Very high | 6 Ų | 6 | 57.9 Ų | 57.9 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -66.7 | -16.2 | 177.5 | -67.8 | 171.4 | 0 | 0 | 0 | 113.4 | G73 L74 L217 I220 D221 P222 A230 R295 | G73-L224 CarbonylContact C-O 3.56Å; G73-L224 VanDerWaalsContact CA-O 3.28Å; G73-L224 WeakPolarHBondContact CA-O 3.32Å; L74-L224 PolarHBondContact N-O 2.75Å; L217-L224 HydrophobicContact CB-CB 4.32Å; L217-L224 HydrophobicContact CD2-CD1 4.44Å; I220-L224 HydrophobicContact CB-CD1 4.29Å; I220-L224 HydrophobicContact CG2-CD1 3.93Å; D221-L224 HydrophobicContact CB-CD1 3.88Å; D221-L224 HydrophobicContact CB-CG 3.91Å; D221-L224 WeakPolarHBondContact O-CB 3.43Å; D221-L224 PolarHBondContact O-N 2.99Å; P222-L224 VanDerWaalsContact C-N 3.26Å; P222-L224 PolarHBondContact O-N 3.4Å; L224-A230 HydrophobicContact CD2-CB 4.2Å; L224-R295 HydrophobicContact CD1-CG 4.24Å |
| 225 | V | 96.2 | Very high | 93.8 | Very high | 44 Ų | 44 | 57.9 Ų | 57.9 | 27% | 0.267 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -108.6 | 1.2 | 178 | -60.3 | 0 | 0 | 0 | 0 | 112.9 | L74 V214 L217 Q218 P222 Q223 | L74-V225 HydrophobicContact CD1-CB 4.45Å; L74-V225 HydrophobicContact CD1-CG1 4.17Å; V214-V225 HydrophobicContact CG1-CG1 3.96Å; L217-V225 HydrophobicContact CB-CG1 3.87Å; Q218-V225 HydrophobicContact CB-CG1 4.37Å; Q218-V225 HydrophobicContact CB-CG2 4.16Å; Q218-V225 HydrophobicContact CG-CG2 4.18Å; P222-V225 WeakPolarHBondContact O-CG2 3.25Å; P222-V225 PolarHBondContact O-N 3.04Å; Q223-V225 PolarHBondContact O-N 3.36Å; Q223-V225 VanDerWaalsContact O-N 3.15Å |
| 226 | T | 95.1 | Very high | 93.5 | Very high | 41 Ų | 41 | 57.4 Ų | 57.4 | 25% | 0.252 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -86.7 | 157.4 | 177.2 | 67.9 | 0 | 0 | 0 | 0 | 111.6 | G75 Q223 Q228 G229 | G75-T226 PolarHBondContact N-O 3.34Å; Q223-T226 PolarHBondContact O-N 3.38Å; Q223-T226 PolarHBondContact O-OG1 3.04Å; T226-Q228 PolarHBondContact O-N 3.09Å; T226-G229 PolarHBondContact O-N 3.34Å; T226-G229 PolarHBondContact OG1-N 2.83Å |
| 227 | P | 91.6 | Very high | 93.4 | Very high | 82 Ų | 82 | 56.3 Ų | 56.3 | 53% | 0.532 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -26 | 172.8 | -23.3 | 34.2 | 0 | 0 | 0 | 114.2 | G229 L234 | P227-G229 VanDerWaalsContact C-N 3.33Å; P227-L234 VanDerWaalsContact O-CD1 3.29Å; P227-L234 WeakPolarHBondContact O-CD1 3.49Å |
| 228 | Q | 93 | Very high | 93.1 | Very high | 91 Ų | 91 | 57.4 Ų | 57.4 | 43% | 0.425 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -22 | -179.6 | -67.3 | 73 | 21.6 | 0 | 0 | 112.6 | T226 L234 | T226-Q228 PolarHBondContact O-N 3.09Å; Q228-L234 WeakPolarHBondContact O-CB 3.5Å; Q228-L234 VanDerWaalsContact O-CG 3.28Å; Q228-L234 WeakPolarHBondContact O-CG 3.38Å; Q228-L234 PolarHBondContact O-N 3.5Å; Q228-L234 VanDerWaalsContact O-N 3.07Å |
| 229 | G | 92.5 | Very high | 93 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | 69.7 | 174.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y72 Q223 T226 P227 D232 | Y72-G229 CarbonylContact O-C 3.59Å; Y72-G229 WeakPolarHBondContact O-CA 3.29Å; Q223-G229 CarbonylContact O-C 3.51Å; T226-G229 PolarHBondContact O-N 3.34Å; T226-G229 PolarHBondContact OG1-N 2.83Å; P227-G229 VanDerWaalsContact C-N 3.33Å; G229-D232 PolarHBondContact O-N 3.08Å | ||
| 230 | A | 90.8 | Very high | 92.9 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 5% | 0.05 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -60.9 | 146 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y72 L224 D232 | Y72-A230 PolarHBondContact O-N 3.04Å; L224-A230 HydrophobicContact CD2-CB 4.2Å; A230-D232 PolarHBondContact O-N 3.3Å |
| 231 | D | 87.5 | Confident | 92.8 | Very high | 122 Ų | 122 | 50.2 Ų | 50.2 | 65% | 0.652 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | 60.8 | 16.6 | -176.3 | -54.4 | -42.8 | 0 | 0 | 0 | 114.3 | I233 | D231-I233 PolarHBondContact O-N 3.28Å; D231-I233 VanDerWaalsContact O-N 3.09Å |
| 232 | D | 88.7 | Confident | 92.7 | Very high | 95 Ų | 95 | 48.2 Ų | 48.2 | 51% | 0.508 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | 51.1 | 31.7 | -176.5 | -65.5 | -57.9 | 0 | 0 | 0 | 113.6 | G229 A230 L234 | G229-D232 PolarHBondContact O-N 3.08Å; A230-D232 PolarHBondContact O-N 3.3Å; D232-L234 PolarHBondContact O-N 3.38Å |
| 233 | I | 88.6 | Confident | 92.6 | Very high | 38 Ų | 38 | 49.4 Ų | 49.4 | 20% | 0.195 | 27% | 0.271 | C | S | . | . | trans | -63 | -30.2 | -173.7 | -165.8 | 170.2 | 0 | 0 | 0 | 112.8 | Y72 D231 S235 | Y72-I233 HydrophobicContact CD1-CB 4.34Å; Y72-I233 HydrophobicContact CD1-CD1 4.27Å; Y72-I233 HydrophobicContact CD1-CG2 3.67Å; Y72-I233 HydrophobicContact CD2-CD1 4.49Å; Y72-I233 HydrophobicContact CD2-CG2 4.46Å; Y72-I233 HydrophobicContact CE1-CB 4.32Å; Y72-I233 HydrophobicContact CE1-CD1 3.62Å; Y72-I233 HydrophobicContact CE1-CG2 4.08Å; Y72-I233 HydrophobicContact CE2-CD1 3.9Å; Y72-I233 HydrophobicContact CG-CG2 3.87Å; Y72-I233 VanDerWaalsContact CZ-CD1 3.41Å; D231-I233 PolarHBondContact O-N 3.28Å; D231-I233 VanDerWaalsContact O-N 3.09Å; I233-S235 PolarHBondContact O-N 3.32Å | ||
| 234 | L | 92.1 | Very high | 92.5 | Very high | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | trans | -83.2 | 55.4 | -177.6 | -53.6 | 175.2 | 0 | 0 | 0 | 111.5 | G75 W76 L79 P227 Q228 D232 F238 M239 | G75-L234 WeakPolarHBondContact O-CD1 3.33Å; W76-L234 HydrophobicContact CE3-CD2 3.93Å; W76-L234 HydrophobicContact CZ3-CD2 4.19Å; L79-L234 HydrophobicContact CB-CD2 4.5Å; L79-L234 HydrophobicContact CD2-CD2 3.78Å; P227-L234 VanDerWaalsContact O-CD1 3.29Å; P227-L234 WeakPolarHBondContact O-CD1 3.49Å; Q228-L234 WeakPolarHBondContact O-CB 3.5Å; Q228-L234 VanDerWaalsContact O-CG 3.28Å; Q228-L234 WeakPolarHBondContact O-CG 3.38Å; Q228-L234 PolarHBondContact O-N 3.5Å; Q228-L234 VanDerWaalsContact O-N 3.07Å; D232-L234 PolarHBondContact O-N 3.38Å; L234-F238 HydrophobicContact CD2-CD1 3.94Å; L234-F238 HydrophobicContact CD2-CE1 3.85Å; L234-M239 HydrophobicContact CB-CG 4.21Å; L234-M239 HydrophobicContact CB-SD 4.42Å | ||
| 235 | S | 92.9 | Very high | 92.3 | Very high | 47 Ų | 47 | 47.7 Ų | 47.7 | 33% | 0.329 | 27% | 0.265 | S | S | . | . | trans | -62.1 | 154.5 | 170.5 | 72 | 0 | 0 | 0 | 0 | 111.2 | I233 A237 F238 M239 | I233-S235 PolarHBondContact O-N 3.32Å; S235-A237 PolarHBondContact O-N 2.89Å; S235-F238 PolarHBondContact O-N 3.06Å; S235-F238 WeakPolarHBondContact OG-CB 3.28Å; S235-F238 PolarHBondContact OG-N 3.05Å; S235-M239 WeakPolarHBondContact O-CG 3.35Å; S235-M239 PolarHBondContact O-N 3.24Å | ||
| 236 | P | 92 | Very high | 92.1 | Very high | 106 Ų | 106 | 46.1 Ų | 46.1 | 69% | 0.688 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -54.7 | -37.3 | 177.1 | -27.7 | 35.3 | 0 | 0 | 0 | 113.8 | T240 | P236-T240 WeakPolarHBondContact O-CB 3.44Å; P236-T240 PolarHBondContact O-N 2.71Å; P236-T240 PolarHBondContact O-OG1 3.29Å |
| 237 | A | 93.5 | Very high | 91.9 | Very high | 18 Ų | 18 | 44.2 Ų | 44.2 | 15% | 0.149 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68 | -40.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S235 S241 G448 F449 | S235-A237 PolarHBondContact O-N 2.89Å; A237-S241 VanDerWaalsContact O-CB 3.31Å; A237-S241 WeakPolarHBondContact O-CB 3.16Å; A237-S241 PolarHBondContact O-N 3.35Å; A237-S241 PolarHBondContact O-OG 2.83Å; A237-G448 WeakPolarHBondContact CB-O 3.42Å; A237-F449 HydrophobicContact CB-CD1 4.21Å; A237-F449 HydrophobicContact CB-CE1 4.19Å; A237-F449 HydrophobicContact CB-CG 4.41Å; A237-F449 HydrophobicContact CB-CZ 4.37Å |
| 238 | F | 91.7 | Very high | 91.9 | Very high | 25 Ų | 25 | 45.1 Ų | 45.1 | 11% | 0.11 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.3 | -45.6 | 175.5 | -176.9 | -94.4 | 0 | 0 | 0 | 111.8 | W76 L79 L234 S235 T240 S241 F242 W394 | W76-F238 HydrophobicContact CH2-CE1 4.25Å; W76-F238 HydrophobicContact CH2-CZ 4.11Å; W76-F238 AromaticContact CZ3-CE1 3.92Å; W76-F238 HydrophobicContact CZ3-CE1 3.92Å; W76-F238 HydrophobicContact CZ3-CZ 4.06Å; L79-F238 HydrophobicContact CD2-CE1 4.04Å; L234-F238 HydrophobicContact CD2-CD1 3.94Å; L234-F238 HydrophobicContact CD2-CE1 3.85Å; S235-F238 PolarHBondContact O-N 3.06Å; S235-F238 WeakPolarHBondContact OG-CB 3.28Å; S235-F238 PolarHBondContact OG-N 3.05Å; F238-T240 PolarHBondContact O-N 2.99Å; F238-S241 VanDerWaalsContact O-CB 3.3Å; F238-S241 WeakPolarHBondContact O-CB 3.37Å; F238-S241 PolarHBondContact O-N 3.24Å; F238-F242 HydrophobicContact CD1-CD2 4.1Å; F238-F242 HydrophobicContact CD1-CE2 4.36Å; F238-F242 HydrophobicContact CD2-CE2 4.48Å; F238-F242 AromaticContact CE1-CD2 3.63Å; F238-F242 HydrophobicContact CE1-CD2 3.63Å; F238-F242 AromaticContact CE1-CE2 3.5Å; F238-F242 HydrophobicContact CE1-CE2 3.5Å; F238-F242 HydrophobicContact CE1-CG 4.42Å; F238-F242 HydrophobicContact CE1-CZ 4.16Å; F238-F242 HydrophobicContact CE2-CD2 4.13Å; F238-F242 AromaticContact CE2-CE2 3.66Å; F238-F242 HydrophobicContact CE2-CE2 3.66Å; F238-F242 AromaticContact CZ-CD2 3.67Å; F238-F242 HydrophobicContact CZ-CD2 3.67Å; F238-F242 AromaticContact CZ-CE2 3.1Å; F238-F242 HydrophobicContact CZ-CE2 3.1Å; F238-F242 AromaticContact CZ-CZ 3.8Å; F238-F242 HydrophobicContact CZ-CZ 3.8Å; F238-F242 PolarHBondContact O-N 3Å; F238-W394 HydrophobicContact CE2-CH2 4.22Å; F238-W394 HydrophobicContact CE2-CZ3 4.44Å; F238-W394 HydrophobicContact CZ-CH2 4.23Å |
| 239 | M | 93.7 | Very high | 91.7 | Very high | 68 Ų | 68 | 40.8 Ų | 40.8 | 34% | 0.335 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.7 | -46 | 176.8 | -66.1 | -179.3 | 71.2 | 0 | 0 | 111.5 | L79 L234 S235 S241 F242 W243 | L79-M239 HydrophobicContact CD1-CB 4.14Å; L79-M239 HydrophobicContact CD1-CG 3.96Å; L234-M239 HydrophobicContact CB-CG 4.21Å; L234-M239 HydrophobicContact CB-SD 4.42Å; S235-M239 WeakPolarHBondContact O-CG 3.35Å; S235-M239 PolarHBondContact O-N 3.24Å; M239-S241 VanDerWaalsContact C-N 3.28Å; M239-S241 PolarHBondContact O-N 3.38Å; M239-F242 WeakPolarHBondContact O-CB 3.43Å; M239-F242 PolarHBondContact O-N 3.32Å; M239-F242 VanDerWaalsContact O-N 3.12Å; M239-W243 PolarHBondContact O-N 3.47Å |
| 240 | T | 93.2 | Very high | 91.6 | Very high | 67 Ų | 67 | 40.9 Ų | 40.9 | 41% | 0.411 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.4 | -40.1 | 176.6 | -56.9 | 0 | 0 | 0 | 0 | 111 | P236 F238 F242 W243 V244 F449 | P236-T240 WeakPolarHBondContact O-CB 3.44Å; P236-T240 PolarHBondContact O-N 2.71Å; P236-T240 PolarHBondContact O-OG1 3.29Å; F238-T240 PolarHBondContact O-N 2.99Å; T240-F242 VanDerWaalsContact C-N 3.3Å; T240-F242 PolarHBondContact O-N 2.84Å; T240-W243 WeakPolarHBondContact O-CB 3.33Å; T240-W243 PolarHBondContact O-N 3.44Å; T240-V244 WeakPolarHBondContact O-CG2 3.15Å; T240-V244 PolarHBondContact O-N 3.46Å; T240-V244 VanDerWaalsContact O-N 3.11Å; T240-F449 HydrophobicContact CG2-CE1 3.88Å |
| 241 | S | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.7 | -38.8 | 174.6 | -62.2 | 0 | 0 | 0 | 0 | 112.5 | A237 F238 M239 V244 L245 F449 H450 | A237-S241 VanDerWaalsContact O-CB 3.31Å; A237-S241 WeakPolarHBondContact O-CB 3.16Å; A237-S241 PolarHBondContact O-N 3.35Å; A237-S241 PolarHBondContact O-OG 2.83Å; F238-S241 VanDerWaalsContact O-CB 3.3Å; F238-S241 WeakPolarHBondContact O-CB 3.37Å; F238-S241 PolarHBondContact O-N 3.24Å; M239-S241 VanDerWaalsContact C-N 3.28Å; M239-S241 PolarHBondContact O-N 3.38Å; S241-V244 PolarHBondContact O-N 3.48Å; S241-L245 WeakPolarHBondContact O-CB 3.32Å; S241-L245 PolarHBondContact O-N 3.08Å; S241-F449 WeakPolarHBondContact OG-CA 3.44Å; S241-H450 VanDerWaalsContact CB-CB 3.45Å; S241-H450 PolarHBondContact OG-N 3.18Å |
| 242 | F | 92.4 | Very high | 91.4 | Very high | 9 Ų | 9 | 35.4 Ų | 35.4 | 4% | 0.039 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.6 | -37.8 | 174.7 | -101.8 | -109.8 | 0 | 0 | 0 | 112.7 | W76 L79 F238 M239 T240 V244 L245 V246 L397 | W76-F242 HydrophobicContact CH2-CE1 4.13Å; W76-F242 AromaticContact CH2-CZ 3.75Å; W76-F242 HydrophobicContact CH2-CZ 3.75Å; W76-F242 HydrophobicContact CZ2-CE1 4.05Å; W76-F242 HydrophobicContact CZ2-CZ 4.07Å; L79-F242 HydrophobicContact CD1-CB 3.94Å; L79-F242 HydrophobicContact CD1-CG 4.36Å; L79-F242 HydrophobicContact CD2-CB 4.31Å; L79-F242 HydrophobicContact CD2-CD1 3.53Å; L79-F242 HydrophobicContact CD2-CD2 4.4Å; L79-F242 HydrophobicContact CD2-CE1 3.86Å; L79-F242 HydrophobicContact CD2-CG 3.82Å; L79-F242 HydrophobicContact CD2-CZ 4.43Å; L79-F242 HydrophobicContact CG-CB 4.35Å; L79-F242 HydrophobicContact CG-CD1 4.07Å; L79-F242 HydrophobicContact CG-CG 4.34Å; F238-F242 HydrophobicContact CD1-CD2 4.1Å; F238-F242 HydrophobicContact CD1-CE2 4.36Å; F238-F242 HydrophobicContact CD2-CE2 4.48Å; F238-F242 AromaticContact CE1-CD2 3.63Å; F238-F242 HydrophobicContact CE1-CD2 3.63Å; F238-F242 AromaticContact CE1-CE2 3.5Å; F238-F242 HydrophobicContact CE1-CE2 3.5Å; F238-F242 HydrophobicContact CE1-CG 4.42Å; F238-F242 HydrophobicContact CE1-CZ 4.16Å; F238-F242 HydrophobicContact CE2-CD2 4.13Å; F238-F242 AromaticContact CE2-CE2 3.66Å; F238-F242 HydrophobicContact CE2-CE2 3.66Å; F238-F242 AromaticContact CZ-CD2 3.67Å; F238-F242 HydrophobicContact CZ-CD2 3.67Å; F238-F242 AromaticContact CZ-CE2 3.1Å; F238-F242 HydrophobicContact CZ-CE2 3.1Å; F238-F242 AromaticContact CZ-CZ 3.8Å; F238-F242 HydrophobicContact CZ-CZ 3.8Å; F238-F242 PolarHBondContact O-N 3Å; M239-F242 WeakPolarHBondContact O-CB 3.43Å; M239-F242 PolarHBondContact O-N 3.32Å; M239-F242 VanDerWaalsContact O-N 3.12Å; T240-F242 VanDerWaalsContact C-N 3.3Å; T240-F242 PolarHBondContact O-N 2.84Å; F242-V244 VanDerWaalsContact C-N 3.26Å; F242-V244 PolarHBondContact O-N 3.07Å; F242-L245 PolarHBondContact O-N 3.01Å; F242-V246 HydrophobicContact CB-CG2 4.46Å; F242-V246 HydrophobicContact CD1-CG1 4.33Å; F242-V246 HydrophobicContact CD1-CG2 3.85Å; F242-V246 HydrophobicContact CE1-CG1 4.5Å; F242-V246 WeakPolarHBondContact O-CG2 3.5Å; F242-V246 PolarHBondContact O-N 3.43Å; F242-L397 HydrophobicContact CE1-CD1 4.34Å; F242-L397 HydrophobicContact CE2-CD1 4.16Å; F242-L397 HydrophobicContact CZ-CD1 3.56Å |
| 243 | W | 93.5 | Very high | 91.4 | Very high | 105 Ų | 105 | 30.9 Ų | 30.9 | 40% | 0.398 | 17% | 0.165 | S | C | . | . | I | π-helix | trans | -55.5 | -44.7 | 170.3 | -88.7 | 92.2 | 0 | 0 | 0 | 111.6 | I82 M239 T240 C247 F248 | I82-W243 HydrophobicContact CB-CD2 4.42Å; I82-W243 HydrophobicContact CB-CZ2 4.36Å; I82-W243 HydrophobicContact CD1-CD2 4.44Å; I82-W243 HydrophobicContact CD1-CG 4.32Å; I82-W243 HydrophobicContact CD1-CZ2 4.39Å; I82-W243 HydrophobicContact CG1-CD2 4.33Å; I82-W243 HydrophobicContact CG1-CZ2 3.77Å; I82-W243 HydrophobicContact CG2-CB 4.39Å; I82-W243 HydrophobicContact CG2-CD2 3.28Å; I82-W243 VanDerWaalsContact CG2-CE2 3.48Å; I82-W243 HydrophobicContact CG2-CE3 3.56Å; I82-W243 HydrophobicContact CG2-CG 3.67Å; I82-W243 HydrophobicContact CG2-CH2 4.15Å; I82-W243 HydrophobicContact CG2-CZ2 3.92Å; I82-W243 HydrophobicContact CG2-CZ3 3.99Å; M239-W243 PolarHBondContact O-N 3.47Å; T240-W243 WeakPolarHBondContact O-CB 3.33Å; T240-W243 PolarHBondContact O-N 3.44Å; W243-C247 HydrophobicContact CE3-CB 4.4Å; W243-C247 WeakPolarHBondContact O-CB 3.42Å; W243-C247 PolarHBondContact O-N 2.98Å; W243-F248 HydrophobicContact CB-CE2 4.49Å; W243-F248 HydrophobicContact CE3-CD2 4.37Å; W243-F248 AromaticContact CE3-CE2 3.64Å; W243-F248 HydrophobicContact CE3-CE2 3.64Å; W243-F248 HydrophobicContact CE3-CZ 4.09Å; W243-F248 HydrophobicContact CZ3-CE2 4.32Å; W243-F248 HydrophobicContact CZ3-CZ 4.32Å; W243-F248 WeakPolarHBondContact O-CD2 3.31Å; W243-F248 PolarHBondContact O-N 3.21Å |
| 244 | V | 94.3 | Very high | 91.2 | Very high | 32 Ų | 32 | 29 Ų | 29 | 19% | 0.194 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -65.3 | -48 | 177.1 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | T240 S241 F242 G249 I452 V453 L456 | T240-V244 WeakPolarHBondContact O-CG2 3.15Å; T240-V244 PolarHBondContact O-N 3.46Å; T240-V244 VanDerWaalsContact O-N 3.11Å; S241-V244 PolarHBondContact O-N 3.48Å; F242-V244 VanDerWaalsContact C-N 3.26Å; F242-V244 PolarHBondContact O-N 3.07Å; V244-G249 VanDerWaalsContact O-CA 3.24Å; V244-G249 WeakPolarHBondContact O-CA 3.46Å; V244-G249 PolarHBondContact O-N 3.04Å; V244-I452 HydrophobicContact CG1-CG2 4.3Å; V244-V453 HydrophobicContact CB-CG2 4.19Å; V244-V453 HydrophobicContact CG1-CG2 4.36Å; V244-V453 HydrophobicContact CG2-CG2 4.17Å; V244-L456 HydrophobicContact CG1-CD1 3.53Å |
| 245 | L | 91.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -72.1 | -58.6 | -173.8 | -171.3 | 60.6 | 0 | 0 | 0 | 112.9 | S241 F242 L397 E404 I452 | S241-L245 WeakPolarHBondContact O-CB 3.32Å; S241-L245 PolarHBondContact O-N 3.08Å; F242-L245 PolarHBondContact O-N 3.01Å; L245-L397 HydrophobicContact CD2-CB 4.07Å; L245-L397 HydrophobicContact CD2-CD1 4.47Å; L245-L397 HydrophobicContact CD2-CD2 3.69Å; L245-L397 HydrophobicContact CD2-CG 4.26Å; L245-L397 HydrophobicContact CG-CD2 4.26Å; L245-E404 WeakPolarHBondContact CD1-OE2 3.21Å; L245-I452 HydrophobicContact CB-CG2 4.21Å; L245-I452 HydrophobicContact CD1-CB 4.28Å; L245-I452 HydrophobicContact CD1-CG1 4.08Å; L245-I452 HydrophobicContact CD1-CG2 4.26Å |
| 246 | V | 90.8 | Very high | 90.1 | Very high | 11 Ų | 11 | 26.9 Ų | 26.9 | 7% | 0.067 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -96.5 | -3.2 | -168.4 | -59 | 0 | 0 | 0 | 0 | 114.6 | Y56 Q83 F242 V250 L397 | Y56-V246 PolarHBondContact OH-O 3.38Å; Q83-V246 HydrophobicContact CG-CB 3.9Å; Q83-V246 HydrophobicContact CG-CG2 3.7Å; F242-V246 HydrophobicContact CB-CG2 4.46Å; F242-V246 HydrophobicContact CD1-CG1 4.33Å; F242-V246 HydrophobicContact CD1-CG2 3.85Å; F242-V246 HydrophobicContact CE1-CG1 4.5Å; F242-V246 WeakPolarHBondContact O-CG2 3.5Å; F242-V246 PolarHBondContact O-N 3.43Å; V246-V250 WeakPolarHBondContact O-CG2 3.39Å; V246-L397 HydrophobicContact CG1-CD2 3.81Å |
| 247 | C | 92.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.007 | 11% | 0.108 | C | C | . | . | I | π-helix | trans | -119.1 | -67.8 | 177.2 | -175.3 | 0 | 0 | 0 | 0 | 112.7 | I82 W243 | I82-C247 HydrophobicContact CG2-CB 3.77Å; I82-C247 WeakPolarHBondContact O-CB 3.5Å; I82-C247 PolarHBondContact O-SG 3.28Å; W243-C247 HydrophobicContact CE3-CB 4.4Å; W243-C247 WeakPolarHBondContact O-CB 3.42Å; W243-C247 PolarHBondContact O-N 2.98Å |
| 248 | F | 91.5 | Very high | 88.9 | Confident | 100 Ų | 100 | 21.7 Ų | 21.7 | 44% | 0.439 | 11% | 0.105 | S | C | . | . | I | π-helix | trans | -72.1 | -41.7 | -178 | -65.9 | -64.2 | 0 | 0 | 0 | 112.5 | L89 W243 V250 I251 | L89-F248 HydrophobicContact CD1-CD1 3.92Å; L89-F248 HydrophobicContact CD1-CE1 4.2Å; W243-F248 HydrophobicContact CB-CE2 4.49Å; W243-F248 HydrophobicContact CE3-CD2 4.37Å; W243-F248 AromaticContact CE3-CE2 3.64Å; W243-F248 HydrophobicContact CE3-CE2 3.64Å; W243-F248 HydrophobicContact CE3-CZ 4.09Å; W243-F248 HydrophobicContact CZ3-CE2 4.32Å; W243-F248 HydrophobicContact CZ3-CZ 4.32Å; W243-F248 WeakPolarHBondContact O-CD2 3.31Å; W243-F248 PolarHBondContact O-N 3.21Å; F248-V250 PolarHBondContact O-N 3.37Å; F248-I251 WeakPolarHBondContact O-CB 3.42Å; F248-I251 WeakPolarHBondContact O-CD1 3.25Å; F248-I251 VanDerWaalsContact O-CG1 3.31Å; F248-I251 WeakPolarHBondContact O-CG1 3.39Å; F248-I251 PolarHBondContact O-N 3.26Å |
| 249 | G | 88.7 | Confident | 88.3 | Confident | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -60.7 | -29.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | V244 I251 G252 E404 | V244-G249 VanDerWaalsContact O-CA 3.24Å; V244-G249 WeakPolarHBondContact O-CA 3.46Å; V244-G249 PolarHBondContact O-N 3.04Å; G249-I251 PolarHBondContact O-N 3.11Å; G249-G252 WeakPolarHBondContact O-CA 3.36Å; G249-G252 PolarHBondContact O-N 3.4Å; G249-E404 WeakPolarHBondContact O-CG 3.38Å |
| 250 | V | 89.3 | Confident | 87.4 | Confident | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.012 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -55.3 | -27.5 | 179.2 | 176.2 | 0 | 0 | 0 | 0 | 113.2 | Y56 A86 V246 F248 G252 L253 T256 | Y56-V250 HydrophobicContact CD2-CG1 4.16Å; Y56-V250 HydrophobicContact CE2-CB 4.43Å; Y56-V250 HydrophobicContact CE2-CG1 3.76Å; Y56-V250 HydrophobicContact CE2-CG2 3.73Å; A86-V250 HydrophobicContact CB-CB 4.4Å; A86-V250 HydrophobicContact CB-CG1 4.17Å; A86-V250 HydrophobicContact CB-CG2 4.44Å; V246-V250 WeakPolarHBondContact O-CG2 3.39Å; F248-V250 PolarHBondContact O-N 3.37Å; V250-G252 PolarHBondContact O-N 3.41Å; V250-L253 HydrophobicContact CB-CD1 4.29Å; V250-L253 HydrophobicContact CG1-CD1 4.2Å; V250-L253 HydrophobicContact CG2-CD1 4.19Å; V250-L253 WeakPolarHBondContact O-CB 3.18Å; V250-L253 PolarHBondContact O-N 3.01Å; V250-L253 VanDerWaalsContact O-N 3.09Å; V250-T256 HydrophobicContact CG1-CG2 4.49Å |
| 251 | I | 89.1 | Confident | 86.5 | Confident | 12 Ų | 12 | 14.3 Ų | 14.3 | 6% | 0.062 | 7% | 0.066 | C | C | . | . | G | 310 helix | trans | -58.1 | -37.9 | 173.5 | -57.7 | 163.3 | 0 | 0 | 0 | 110.3 | L89 I93 L94 F248 G249 L253 L408 V412 | L89-I251 HydrophobicContact CB-CD1 4.15Å; L89-I251 HydrophobicContact CB-CG1 4.06Å; I93-I251 HydrophobicContact CD1-CD1 3.51Å; I93-I251 HydrophobicContact CD1-CG1 4.37Å; I93-I251 HydrophobicContact CG2-CG2 4.32Å; L94-I251 HydrophobicContact CD1-CG2 4.12Å; L94-I251 VanDerWaalsContact CD1-O 3.24Å; L94-I251 WeakPolarHBondContact CD1-O 3.47Å; L94-I251 HydrophobicContact CD2-CG2 4Å; L94-I251 HydrophobicContact CG-CG2 3.93Å; F248-I251 WeakPolarHBondContact O-CB 3.42Å; F248-I251 WeakPolarHBondContact O-CD1 3.25Å; F248-I251 VanDerWaalsContact O-CG1 3.31Å; F248-I251 WeakPolarHBondContact O-CG1 3.39Å; F248-I251 PolarHBondContact O-N 3.26Å; G249-I251 PolarHBondContact O-N 3.11Å; I251-L253 VanDerWaalsContact C-N 3.26Å; I251-L253 PolarHBondContact O-N 3.45Å; I251-L408 HydrophobicContact CB-CD1 4.21Å; I251-V412 HydrophobicContact CG2-CG2 3.84Å |
| 252 | G | 84.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | G | 310 helix | trans | -74.6 | -7.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | G249 V250 P254 F407 | G249-G252 WeakPolarHBondContact O-CA 3.36Å; G249-G252 PolarHBondContact O-N 3.4Å; V250-G252 PolarHBondContact O-N 3.41Å; G252-P254 VanDerWaalsContact O-CD 3.27Å; G252-P254 WeakPolarHBondContact O-CD 3.23Å; G252-F407 WeakPolarHBondContact O-CB 3.46Å |
| 253 | L | 88.5 | Confident | 85.1 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | trans | -76.3 | 120.8 | -173.4 | -68.1 | 177.1 | 0 | 0 | 0 | 112 | V250 I251 H255 T256 A257 F400 L403 E404 | V250-L253 HydrophobicContact CB-CD1 4.29Å; V250-L253 HydrophobicContact CG1-CD1 4.2Å; V250-L253 HydrophobicContact CG2-CD1 4.19Å; V250-L253 WeakPolarHBondContact O-CB 3.18Å; V250-L253 PolarHBondContact O-N 3.01Å; V250-L253 VanDerWaalsContact O-N 3.09Å; I251-L253 VanDerWaalsContact C-N 3.26Å; I251-L253 PolarHBondContact O-N 3.45Å; L253-H255 VanDerWaalsContact C-N 3.33Å; L253-H255 PolarHBondContact O-N 3.16Å; L253-T256 WeakPolarHBondContact O-CB 3.36Å; L253-T256 PolarHBondContact O-N 3.27Å; L253-T256 VanDerWaalsContact O-N 3.1Å; L253-A257 PolarHBondContact O-N 3.34Å; L253-A257 VanDerWaalsContact O-N 3.1Å; L253-F400 HydrophobicContact CD1-CD2 4.11Å; L253-F400 HydrophobicContact CD1-CE2 4.27Å; L253-F400 HydrophobicContact CD1-CG 4.48Å; L253-L403 HydrophobicContact CD2-CB 3.76Å; L253-L403 HydrophobicContact CD2-CD1 4.05Å; L253-E404 HydrophobicContact CD2-CG 3.93Å; L253-E404 HydrophobicContact CG-CG 4.37Å | ||
| 254 | P | 84.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59.8 | -36.8 | -174.5 | -33.5 | 41.7 | 0 | 0 | 0 | 115.5 | L110 L131 G252 T256 A257 V258 Q342 L403 F407 | L110-P254 HydrophobicContact CD2-CB 3.49Å; L110-P254 VanDerWaalsContact CD2-CB 3.49Å; L110-P254 HydrophobicContact CD2-CG 3.65Å; L131-P254 HydrophobicContact CD1-CB 3.36Å; L131-P254 HydrophobicContact CD1-CG 3.47Å; L131-P254 VanDerWaalsContact CD1-CG 3.47Å; G252-P254 VanDerWaalsContact O-CD 3.27Å; G252-P254 WeakPolarHBondContact O-CD 3.23Å; P254-T256 VanDerWaalsContact C-N 3.3Å; P254-T256 PolarHBondContact O-N 3.32Å; P254-A257 PolarHBondContact O-N 3.28Å; P254-V258 WeakPolarHBondContact O-CG2 3.49Å; P254-V258 PolarHBondContact O-N 2.95Å; P254-V258 VanDerWaalsContact O-N 3.09Å; P254-Q342 VanDerWaalsContact CB-NE2 3.35Å; P254-L403 HydrophobicContact CG-CD2 4.26Å; P254-F407 HydrophobicContact CG-CB 4.47Å; P254-F407 HydrophobicContact CG-CD1 4.23Å; P254-F407 HydrophobicContact CG-CD2 3.59Å; P254-F407 HydrophobicContact CG-CE1 4.33Å; P254-F407 HydrophobicContact CG-CE2 3.74Å; P254-F407 HydrophobicContact CG-CG 3.85Å; P254-F407 HydrophobicContact CG-CZ 4.09Å |
| 255 | H | 81.8 | Confident | 83.6 | Confident | 3 Ų | 3 | 15.1 Ų | 15.1 | 1% | 0.014 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -69.8 | -29.7 | -179.7 | 60.9 | -90.3 | 0 | 0 | 0 | 112.4 | F135 L253 | F135-H255 HydrophobicContact CZ-CB 4.14Å; L253-H255 VanDerWaalsContact C-N 3.33Å; L253-H255 PolarHBondContact O-N 3.16Å |
| 256 | T | 81.5 | Confident | 83.2 | Confident | 5 Ų | 5 | 19 Ų | 19 | 3% | 0.031 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -71.3 | -44 | 171.8 | -50.2 | 0 | 0 | 0 | 0 | 110.4 | L52 V250 L253 P254 V258 R259 C260 | L52-T256 HydrophobicContact CD1-CG2 3.91Å; V250-T256 HydrophobicContact CG1-CG2 4.49Å; L253-T256 WeakPolarHBondContact O-CB 3.36Å; L253-T256 PolarHBondContact O-N 3.27Å; L253-T256 VanDerWaalsContact O-N 3.1Å; P254-T256 VanDerWaalsContact C-N 3.3Å; P254-T256 PolarHBondContact O-N 3.32Å; T256-V258 PolarHBondContact O-N 3.5Å; T256-R259 PolarHBondContact O-N 2.99Å; T256-C260 PolarHBondContact O-N 2.9Å; T256-C260 PolarHBondContact O-SG 3.27Å |
| 257 | A | 80.7 | Confident | 82.8 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.9 | -39.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | L94 F98 L110 L253 P254 R259 C260 | L94-A257 HydrophobicContact CD1-CB 4.03Å; F98-A257 HydrophobicContact CE1-CB 4.11Å; L110-A257 HydrophobicContact CD1-CB 4.06Å; L253-A257 PolarHBondContact O-N 3.34Å; L253-A257 VanDerWaalsContact O-N 3.1Å; P254-A257 PolarHBondContact O-N 3.28Å; A257-R259 VanDerWaalsContact C-N 3.32Å; A257-R259 PolarHBondContact O-N 3.14Å; A257-C260 WeakPolarHBondContact O-CB 3.4Å; A257-C260 PolarHBondContact O-N 3Å; A257-C260 VanDerWaalsContact O-N 3.08Å |
| 258 | V | 78.9 | Confident | 82.5 | Confident | 14 Ų | 14 | 26.2 Ų | 26.2 | 9% | 0.085 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.3 | -30.3 | 177.8 | 174.3 | 0 | 0 | 0 | 0 | 112.4 | L110 P254 T256 C260 I261 S262 | L110-V258 HydrophobicContact CB-CG2 4.46Å; P254-V258 WeakPolarHBondContact O-CG2 3.49Å; P254-V258 PolarHBondContact O-N 2.95Å; P254-V258 VanDerWaalsContact O-N 3.09Å; T256-V258 PolarHBondContact O-N 3.5Å; V258-C260 VanDerWaalsContact C-N 3.26Å; V258-C260 PolarHBondContact O-N 3.22Å; V258-I261 WeakPolarHBondContact O-CG1 3.34Å; V258-I261 PolarHBondContact O-N 3.42Å; V258-S262 PolarHBondContact O-OG 3.33Å |
| 259 | R | 78.8 | Confident | 82.3 | Confident | 5 Ų | 5 | 22.1 Ų | 22.1 | 2% | 0.019 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.3 | -28.6 | 172.8 | -62.3 | -55.1 | -169.2 | 164.7 | 14.2 | 111.7 | T51 L52 T55 D185 T256 A257 I261 S262 | T51-R259 VanDerWaalsContact CG2-NH1 3.32Å; L52-R259 HydrophobicContact CD1-CB 3.74Å; L52-R259 HydrophobicContact CD1-CG 4.24Å; T55-R259 PolarHBondContact OG1-NH2 3.01Å; D185-R259 IonicContact OD2-CZ 3.64Å; D185-R259 IonicContact OD2-NH1 3.81Å; D185-R259 IonicContact OD2-NH2 2.71Å; D185-R259 PolarHBondContact OD2-NH2 3.45Å; T256-R259 PolarHBondContact O-N 2.99Å; A257-R259 VanDerWaalsContact C-N 3.32Å; A257-R259 PolarHBondContact O-N 3.14Å; R259-I261 PolarHBondContact O-N 3.46Å; R259-S262 PolarHBondContact O-N 3.09Å |
| 260 | C | 75.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -14.1 | 177.6 | -61.5 | 0 | 0 | 0 | 0 | 114 | L94 T256 A257 V258 Y263 | L94-C260 HydrophobicContact CB-CB 4.49Å; T256-C260 PolarHBondContact O-N 2.9Å; T256-C260 PolarHBondContact O-SG 3.27Å; A257-C260 WeakPolarHBondContact O-CB 3.4Å; A257-C260 PolarHBondContact O-N 3Å; A257-C260 VanDerWaalsContact O-N 3.08Å; V258-C260 VanDerWaalsContact C-N 3.26Å; V258-C260 PolarHBondContact O-N 3.22Å; C260-Y263 WeakPolarHBondContact O-CD1 3.5Å; C260-Y263 WeakPolarHBondContact O-CE1 3.3Å |
| 261 | I | 74.8 | Confident | 82.3 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -6.3 | 179.4 | 59.7 | 175.7 | 0 | 0 | 0 | 113.8 | L38 F98 A102 V258 R259 | L38-I261 HydrophobicContact CD2-CD1 3.44Å; L38-I261 VanDerWaalsContact CD2-CD1 3.44Å; L38-I261 HydrophobicContact CD2-CG1 3.74Å; F98-I261 HydrophobicContact CB-CG2 4.47Å; F98-I261 HydrophobicContact CD1-CG2 3.47Å; F98-I261 VanDerWaalsContact CD1-CG2 3.47Å; F98-I261 HydrophobicContact CE1-CG2 4.11Å; F98-I261 HydrophobicContact CG-CG2 4.35Å; A102-I261 HydrophobicContact CB-CB 3.93Å; A102-I261 HydrophobicContact CB-CD1 4.41Å; A102-I261 HydrophobicContact CB-CG2 3.58Å; V258-I261 WeakPolarHBondContact O-CG1 3.34Å; V258-I261 PolarHBondContact O-N 3.42Å; R259-I261 PolarHBondContact O-N 3.46Å |
| 262 | S | 75.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -95 | -0.5 | -169.3 | -60.5 | 0 | 0 | 0 | 0 | 114.2 | R41 M43 F178 V258 R259 | R41-S262 CarbonylContact C-O 3.39Å; R41-S262 VanDerWaalsContact C-O 3.29Å; R41-S262 WeakPolarHBondContact CA-O 3.3Å; M43-S262 WeakPolarHBondContact CG-O 3.38Å; M43-S262 PolarHBondContact N-O 2.81Å; M43-S262 VanDerWaalsContact SD-CB 3.6Å; F178-S262 WeakPolarHBondContact CZ-OG 3.11Å; V258-S262 PolarHBondContact O-OG 3.33Å; R259-S262 PolarHBondContact O-N 3.09Å |
| 263 | Y | 81.3 | Confident | 82.7 | Confident | 6 Ų | 6 | 36.1 Ų | 36.1 | 2% | 0.024 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -80.9 | 152 | -179.1 | 70.2 | -101.3 | 0 | 0 | 0 | 113.1 | R41 G95 A99 R103 C260 D265 V269 | R41-Y263 CarbonylContact O-C 3.55Å; G95-Y263 WeakPolarHBondContact O-CE1 3.39Å; G95-Y263 PolarHBondContact O-OH 2.77Å; A99-Y263 HydrophobicContact CB-CD1 4.48Å; A99-Y263 HydrophobicContact CB-CE1 3.46Å; A99-Y263 VanDerWaalsContact CB-CE1 3.46Å; A99-Y263 HydrophobicContact CB-CE2 4.29Å; A99-Y263 WeakPolarHBondContact CB-OH 3.18Å; R103-Y263 PolarHBondContact NH2-O 3.23Å; C260-Y263 WeakPolarHBondContact O-CD1 3.5Å; C260-Y263 WeakPolarHBondContact O-CE1 3.3Å; Y263-D265 VanDerWaalsContact CD2-O 3.25Å; Y263-D265 WeakPolarHBondContact CD2-O 3.32Å; Y263-V269 HydrophobicContact CD1-CG2 3.36Å; Y263-V269 HydrophobicContact CD2-CG2 3.34Å; Y263-V269 HydrophobicContact CE1-CG2 3.28Å; Y263-V269 HydrophobicContact CE2-CG2 3.31Å; Y263-V269 HydrophobicContact CG-CG2 3.37Å |
| 264 | K | 77.3 | Confident | 83 | Confident | 104 Ų | 104 | 40.1 Ų | 40.1 | 45% | 0.452 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -73 | -52.4 | -178.2 | 71.1 | -174.9 | -173.7 | 110.9 | 0 | 113.4 | R41 M43 R103 A268 | R41-K264 VanDerWaalsContact O-CA 3.26Å; R41-K264 WeakPolarHBondContact O-CA 3.13Å; R41-K264 PolarHBondContact O-N 2.92Å; M43-K264 WeakPolarHBondContact O-CG 3.41Å; M43-K264 PolarHBondContact O-N 3.24Å; M43-K264 VanDerWaalsContact O-N 3.11Å; R103-K264 PolarHBondContact NH2-O 2.84Å; K264-A268 HydrophobicContact CG-CB 3.91Å |
| 265 | D | 79.2 | Confident | 83.4 | Confident | 52 Ų | 52 | 42.5 Ų | 42.5 | 28% | 0.278 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -147.8 | 166.9 | -170.5 | 61.4 | 37.7 | 0 | 0 | 0 | 111.5 | Y263 K267 A268 V269 | Y263-D265 VanDerWaalsContact CD2-O 3.25Å; Y263-D265 WeakPolarHBondContact CD2-O 3.32Å; D265-K267 PolarHBondContact O-N 2.86Å; D265-K267 WeakPolarHBondContact OD1-CB 3.24Å; D265-K267 PolarHBondContact OD1-N 2.91Å; D265-K267 VanDerWaalsContact OD1-N 3.16Å; D265-A268 WeakPolarHBondContact O-CB 3.5Å; D265-A268 PolarHBondContact O-N 3.34Å; D265-A268 VanDerWaalsContact O-N 3.1Å; D265-A268 WeakPolarHBondContact OD1-CB 3.39Å; D265-A268 PolarHBondContact OD1-N 3.45Å; D265-V269 PolarHBondContact O-N 2.72Å |
| 266 | S | 81.9 | Confident | 83.9 | Confident | 82 Ų | 82 | 42.4 Ų | 42.4 | 57% | 0.573 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -62.6 | -28.2 | -179.9 | -53 | 0 | 0 | 0 | 0 | 113.2 | A268 V269 H270 | S266-A268 VanDerWaalsContact C-N 3.31Å; S266-A268 PolarHBondContact O-N 3.48Å; S266-V269 PolarHBondContact O-N 3.39Å; S266-H270 PolarHBondContact O-N 3.46Å; S266-H270 VanDerWaalsContact O-N 3.08Å |
| 267 | K | 83.1 | Confident | 84.5 | Confident | 162 Ų | 162 | 43.8 Ų | 43.8 | 70% | 0.704 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -65.8 | -36.7 | 175.6 | -65 | 178.3 | -178.5 | 174.3 | 0 | 110.8 | D265 H270 R271 | D265-K267 PolarHBondContact O-N 2.86Å; D265-K267 WeakPolarHBondContact OD1-CB 3.24Å; D265-K267 PolarHBondContact OD1-N 2.91Å; D265-K267 VanDerWaalsContact OD1-N 3.16Å; K267-H270 PolarHBondContact O-N 3.25Å; K267-R271 WeakPolarHBondContact O-CG 3.47Å; K267-R271 PolarHBondContact O-N 3.02Å |
| 268 | A | 86.3 | Confident | 85.1 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 2% | 0.017 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.3 | -41.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G45 K264 D265 S266 G272 | G45-A268 VanDerWaalsContact CA-O 3.23Å; G45-A268 WeakPolarHBondContact CA-O 3.45Å; K264-A268 HydrophobicContact CG-CB 3.91Å; D265-A268 WeakPolarHBondContact O-CB 3.5Å; D265-A268 PolarHBondContact O-N 3.34Å; D265-A268 VanDerWaalsContact O-N 3.1Å; D265-A268 WeakPolarHBondContact OD1-CB 3.39Å; D265-A268 PolarHBondContact OD1-N 3.45Å; S266-A268 VanDerWaalsContact C-N 3.31Å; S266-A268 PolarHBondContact O-N 3.48Å; A268-G272 WeakPolarHBondContact O-CA 3.49Å; A268-G272 PolarHBondContact O-N 3.25Å |
| 269 | V | 87.3 | Confident | 85.8 | Confident | 14 Ų | 14 | 48.1 Ų | 48.1 | 9% | 0.085 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.9 | -49.1 | 174.4 | -178.5 | 0 | 0 | 0 | 0 | 111 | L91 Y263 D265 S266 R271 G272 I273 | L91-V269 HydrophobicContact CB-CG1 4.31Å; Y263-V269 HydrophobicContact CD1-CG2 3.36Å; Y263-V269 HydrophobicContact CD2-CG2 3.34Å; Y263-V269 HydrophobicContact CE1-CG2 3.28Å; Y263-V269 HydrophobicContact CE2-CG2 3.31Å; Y263-V269 HydrophobicContact CG-CG2 3.37Å; D265-V269 PolarHBondContact O-N 2.72Å; S266-V269 PolarHBondContact O-N 3.39Å; V269-R271 PolarHBondContact O-N 3.41Å; V269-G272 CarbonylContact O-C 3.5Å; V269-G272 WeakPolarHBondContact O-CA 3.33Å; V269-G272 PolarHBondContact O-N 3.06Å; V269-I273 HydrophobicContact CG1-CD1 4.1Å; V269-I273 WeakPolarHBondContact O-CG1 3.18Å; V269-I273 PolarHBondContact O-N 3.17Å |
| 270 | H | 88.1 | Confident | 86.5 | Confident | 119 Ų | 119 | 47.9 Ų | 47.9 | 55% | 0.551 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -60.8 | -45 | -178.4 | -175.3 | 74.8 | 0 | 0 | 0 | 112.2 | S266 K267 G272 I273 I274 | S266-H270 PolarHBondContact O-N 3.46Å; S266-H270 VanDerWaalsContact O-N 3.08Å; K267-H270 PolarHBondContact O-N 3.25Å; H270-G272 VanDerWaalsContact C-N 3.31Å; H270-G272 PolarHBondContact O-N 3.21Å; H270-I273 PolarHBondContact O-N 3.3Å; H270-I274 PolarHBondContact O-N 3.47Å |
| 271 | R | 90.5 | Very high | 87.5 | Confident | 162 Ų | 162 | 49.1 Ų | 49.1 | 61% | 0.611 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64.6 | -37.5 | 172.6 | -71.3 | -178.5 | -177.6 | -176.3 | 0.8 | 112 | K267 V269 I273 I274 I275 | K267-R271 WeakPolarHBondContact O-CG 3.47Å; K267-R271 PolarHBondContact O-N 3.02Å; V269-R271 PolarHBondContact O-N 3.41Å; R271-I273 VanDerWaalsContact C-N 3.32Å; R271-I273 PolarHBondContact O-N 3.46Å; R271-I274 PolarHBondContact O-N 3.07Å; R271-I275 HydrophobicContact CB-CD1 4.41Å; R271-I275 WeakPolarHBondContact O-CB 3.48Å; R271-I275 VanDerWaalsContact O-CG1 3.26Å; R271-I275 WeakPolarHBondContact O-CG1 3.32Å; R271-I275 PolarHBondContact O-N 2.84Å |
| 272 | G | 89.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.8 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A268 V269 H270 G276 | A268-G272 WeakPolarHBondContact O-CA 3.49Å; A268-G272 PolarHBondContact O-N 3.25Å; V269-G272 CarbonylContact O-C 3.5Å; V269-G272 WeakPolarHBondContact O-CA 3.33Å; V269-G272 PolarHBondContact O-N 3.06Å; H270-G272 VanDerWaalsContact C-N 3.31Å; H270-G272 PolarHBondContact O-N 3.21Å; G272-G276 WeakPolarHBondContact O-CA 3.36Å; G272-G276 PolarHBondContact O-N 3.49Å |
| 273 | I | 92.1 | Very high | 89.4 | Confident | 28 Ų | 28 | 52.5 Ų | 52.5 | 14% | 0.144 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.3 | -56.2 | 174.8 | -71.2 | 167 | 0 | 0 | 0 | 110.5 | W88 L91 V269 H270 R271 T277 | W88-I273 HydrophobicContact CB-CG2 4.26Å; W88-I273 HydrophobicContact CG-CG2 4.27Å; L91-I273 HydrophobicContact CB-CD1 3.99Å; L91-I273 HydrophobicContact CB-CG1 3.5Å; L91-I273 VanDerWaalsContact CB-CG1 3.5Å; L91-I273 HydrophobicContact CD1-CG1 3.8Å; L91-I273 HydrophobicContact CG-CG1 4.32Å; V269-I273 HydrophobicContact CG1-CD1 4.1Å; V269-I273 WeakPolarHBondContact O-CG1 3.18Å; V269-I273 PolarHBondContact O-N 3.17Å; H270-I273 PolarHBondContact O-N 3.3Å; R271-I273 VanDerWaalsContact C-N 3.32Å; R271-I273 PolarHBondContact O-N 3.46Å; I273-T277 WeakPolarHBondContact O-CB 3.45Å; I273-T277 PolarHBondContact O-N 3.32Å; I273-T277 PolarHBondContact O-OG1 2.99Å; I273-T277 VanDerWaalsContact O-OG1 3.06Å |
| 274 | I | 94.3 | Very high | 90 | Very high | 83 Ų | 83 | 52.3 Ų | 52.3 | 43% | 0.426 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.8 | -52 | -174.6 | -62.8 | 170.9 | 0 | 0 | 0 | 110.7 | H270 R271 I278 | H270-I274 PolarHBondContact O-N 3.47Å; R271-I274 PolarHBondContact O-N 3.07Å; I274-I278 HydrophobicContact CG2-CD1 4Å; I274-I278 VanDerWaalsContact O-CG1 3.31Å; I274-I278 WeakPolarHBondContact O-CG1 3.37Å; I274-I278 PolarHBondContact O-N 3.01Å; I274-I278 VanDerWaalsContact O-N 3.16Å |
| 275 | I | 93.5 | Very high | 90.9 | Very high | 51 Ų | 51 | 51.8 Ų | 51.8 | 26% | 0.262 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.1 | -45.5 | -176.5 | -61.5 | 172.3 | 0 | 0 | 0 | 109.6 | I46 A49 R271 T277 I278 V279 | I46-I275 HydrophobicContact CG1-CD1 3.78Å; A49-I275 HydrophobicContact CB-CB 3.8Å; A49-I275 HydrophobicContact CB-CG2 3.69Å; R271-I275 HydrophobicContact CB-CD1 4.41Å; R271-I275 WeakPolarHBondContact O-CB 3.48Å; R271-I275 VanDerWaalsContact O-CG1 3.26Å; R271-I275 WeakPolarHBondContact O-CG1 3.32Å; R271-I275 PolarHBondContact O-N 2.84Å; I275-T277 PolarHBondContact O-N 3.34Å; I275-I278 PolarHBondContact O-N 3.42Å; I275-V279 HydrophobicContact CG2-CG2 4.13Å; I275-V279 WeakPolarHBondContact O-CB 3.4Å; I275-V279 VanDerWaalsContact O-CG2 3.24Å; I275-V279 WeakPolarHBondContact O-CG2 3.35Å; I275-V279 PolarHBondContact O-N 2.71Å |
| 276 | G | 91.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.8 | -42.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | G272 I278 V279 V280 | G272-G276 WeakPolarHBondContact O-CA 3.36Å; G272-G276 PolarHBondContact O-N 3.49Å; G276-I278 PolarHBondContact O-N 2.97Å; G276-V279 PolarHBondContact O-N 3.36Å; G276-V280 WeakPolarHBondContact O-CB 3.35Å; G276-V280 WeakPolarHBondContact O-CG2 3.25Å; G276-V280 PolarHBondContact O-N 3.36Å |
| 277 | T | 93.8 | Very high | 92.4 | Very high | 35 Ų | 35 | 45.6 Ų | 45.6 | 22% | 0.215 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.2 | -42.9 | 174.8 | -65.3 | 0 | 0 | 0 | 0 | 112.1 | I273 I275 A281 | I273-T277 WeakPolarHBondContact O-CB 3.45Å; I273-T277 PolarHBondContact O-N 3.32Å; I273-T277 PolarHBondContact O-OG1 2.99Å; I273-T277 VanDerWaalsContact O-OG1 3.06Å; I275-T277 PolarHBondContact O-N 3.34Å; T277-A281 WeakPolarHBondContact O-CB 3.41Å; T277-A281 PolarHBondContact O-N 3.05Å |
| 278 | I | 94.4 | Very high | 93 | Very high | 96 Ų | 96 | 38.1 Ų | 38.1 | 49% | 0.492 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.4 | -43.4 | 176.5 | -67.7 | 167 | 0 | 0 | 0 | 111 | I274 I275 G276 A281 I282 | I274-I278 HydrophobicContact CG2-CD1 4Å; I274-I278 VanDerWaalsContact O-CG1 3.31Å; I274-I278 WeakPolarHBondContact O-CG1 3.37Å; I274-I278 PolarHBondContact O-N 3.01Å; I274-I278 VanDerWaalsContact O-N 3.16Å; I275-I278 PolarHBondContact O-N 3.42Å; G276-I278 PolarHBondContact O-N 2.97Å; I278-A281 VanDerWaalsContact O-CB 3.29Å; I278-A281 WeakPolarHBondContact O-CB 3.5Å; I278-A281 PolarHBondContact O-N 2.83Å; I278-I282 HydrophobicContact CG2-CD1 4.02Å; I278-I282 WeakPolarHBondContact O-CG1 3.41Å; I278-I282 PolarHBondContact O-N 3.41Å; I278-I282 VanDerWaalsContact O-N 3.1Å |
| 279 | V | 93.4 | Very high | 93.6 | Very high | 9 Ų | 9 | 39.1 Ų | 39.1 | 6% | 0.055 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66 | -46.7 | -179.7 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | M50 T53 L193 I275 G276 A281 I282 L283 | M50-V279 HydrophobicContact SD-CG1 4.44Å; M50-V279 HydrophobicContact SD-CG2 4.18Å; T53-V279 HydrophobicContact CG2-CB 4.24Å; T53-V279 HydrophobicContact CG2-CG1 3.51Å; L193-V279 HydrophobicContact CD1-CG1 3.96Å; L193-V279 HydrophobicContact CD1-CG2 3.98Å; L193-V279 HydrophobicContact CD2-CB 4.44Å; L193-V279 HydrophobicContact CD2-CG1 3.91Å; L193-V279 HydrophobicContact CD2-CG2 4.44Å; L193-V279 HydrophobicContact CG-CG1 3.97Å; I275-V279 HydrophobicContact CG2-CG2 4.13Å; I275-V279 WeakPolarHBondContact O-CB 3.4Å; I275-V279 VanDerWaalsContact O-CG2 3.24Å; I275-V279 WeakPolarHBondContact O-CG2 3.35Å; I275-V279 PolarHBondContact O-N 2.71Å; G276-V279 PolarHBondContact O-N 3.36Å; V279-A281 VanDerWaalsContact C-N 3.28Å; V279-A281 PolarHBondContact O-N 3.33Å; V279-I282 PolarHBondContact O-N 3.37Å; V279-L283 HydrophobicContact CG1-CD1 3.68Å; V279-L283 HydrophobicContact CG1-CG 4.37Å; V279-L283 WeakPolarHBondContact O-CB 3.28Å; V279-L283 VanDerWaalsContact O-CG 3.24Å; V279-L283 WeakPolarHBondContact O-CG 3.43Å; V279-L283 PolarHBondContact O-N 2.9Å |
| 280 | V | 93.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59 | -40.3 | 174 | 170.4 | 0 | 0 | 0 | 0 | 111 | T53 Y56 I57 V87 G276 I282 L283 M284 | T53-V280 HydrophobicContact CG2-CG2 3.51Å; Y56-V280 HydrophobicContact CD1-CG2 4.4Å; Y56-V280 HydrophobicContact CE1-CG1 4.45Å; I57-V280 HydrophobicContact CD1-CG2 4.36Å; V87-V280 HydrophobicContact CG2-CG2 3.73Å; G276-V280 WeakPolarHBondContact O-CB 3.35Å; G276-V280 WeakPolarHBondContact O-CG2 3.25Å; G276-V280 PolarHBondContact O-N 3.36Å; V280-I282 PolarHBondContact O-N 3.27Å; V280-L283 PolarHBondContact O-N 3.32Å; V280-M284 HydrophobicContact CG1-CG 3.82Å; V280-M284 VanDerWaalsContact O-CB 3.27Å; V280-M284 WeakPolarHBondContact O-CB 3.25Å; V280-M284 WeakPolarHBondContact O-CG 3.37Å; V280-M284 PolarHBondContact O-N 3.06Å |
| 281 | A | 95.1 | Very high | 94.5 | Very high | 25 Ų | 25 | 32.8 Ų | 32.8 | 21% | 0.207 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.5 | -53 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L84 T277 I278 V279 L283 F285 | L84-A281 VanDerWaalsContact CD2-CA 3.44Å; L84-A281 HydrophobicContact CD2-CB 3.22Å; T277-A281 WeakPolarHBondContact O-CB 3.41Å; T277-A281 PolarHBondContact O-N 3.05Å; I278-A281 VanDerWaalsContact O-CB 3.29Å; I278-A281 WeakPolarHBondContact O-CB 3.5Å; I278-A281 PolarHBondContact O-N 2.83Å; V279-A281 VanDerWaalsContact C-N 3.28Å; V279-A281 PolarHBondContact O-N 3.33Å; A281-L283 VanDerWaalsContact C-N 3.35Å; A281-L283 PolarHBondContact O-N 3.29Å; A281-F285 WeakPolarHBondContact O-CB 3.42Å; A281-F285 PolarHBondContact O-N 3.17Å |
| 282 | I | 95.6 | Very high | 94.8 | Very high | 69 Ų | 69 | 25.1 Ų | 25.1 | 35% | 0.354 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -63.2 | -44.5 | -177.8 | -66.9 | 167 | 0 | 0 | 0 | 110.2 | L193 V197 I278 V279 V280 G286 | L193-I282 HydrophobicContact CD2-CB 4.02Å; L193-I282 HydrophobicContact CD2-CD1 4.22Å; L193-I282 HydrophobicContact CD2-CG2 3.84Å; V197-I282 HydrophobicContact CG2-CG2 4.14Å; I278-I282 HydrophobicContact CG2-CD1 4.02Å; I278-I282 WeakPolarHBondContact O-CG1 3.41Å; I278-I282 PolarHBondContact O-N 3.41Å; I278-I282 VanDerWaalsContact O-N 3.1Å; V279-I282 PolarHBondContact O-N 3.37Å; V280-I282 PolarHBondContact O-N 3.27Å; I282-G286 WeakPolarHBondContact O-CA 3.4Å; I282-G286 PolarHBondContact O-N 3.2Å |
| 283 | L | 94.8 | Very high | 95.2 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -71 | -47.3 | -175.5 | -67 | 176.8 | 0 | 0 | 0 | 112.3 | T53 I57 F62 M192 L193 T196 V279 V280 A281 M287 | T53-L283 HydrophobicContact CG2-CD1 3.92Å; I57-L283 HydrophobicContact CD1-CB 3.53Å; I57-L283 HydrophobicContact CD1-CD1 3.22Å; I57-L283 HydrophobicContact CD1-CG 3.99Å; F62-L283 HydrophobicContact CZ-CD2 4.12Å; M192-L283 VanDerWaalsContact C-CD2 3.48Å; M192-L283 HydrophobicContact CB-CD1 4.28Å; M192-L283 HydrophobicContact CB-CD2 4.03Å; M192-L283 HydrophobicContact CE-CD1 4.33Å; M192-L283 WeakPolarHBondContact O-CD2 3.48Å; L193-L283 HydrophobicContact CD2-CD2 4.12Å; L193-L283 HydrophobicContact CD2-CG 4.06Å; L193-L283 HydrophobicContact CG-CD2 4.3Å; L193-L283 HydrophobicContact CG-CG 4.47Å; T196-L283 HydrophobicContact CG2-CD2 4.41Å; T196-L283 WeakPolarHBondContact OG1-CD2 3.17Å; V279-L283 HydrophobicContact CG1-CD1 3.68Å; V279-L283 HydrophobicContact CG1-CG 4.37Å; V279-L283 WeakPolarHBondContact O-CB 3.28Å; V279-L283 VanDerWaalsContact O-CG 3.24Å; V279-L283 WeakPolarHBondContact O-CG 3.43Å; V279-L283 PolarHBondContact O-N 2.9Å; V280-L283 PolarHBondContact O-N 3.32Å; A281-L283 VanDerWaalsContact C-N 3.35Å; A281-L283 PolarHBondContact O-N 3.29Å; L283-M287 WeakPolarHBondContact O-CB 3.3Å; L283-M287 WeakPolarHBondContact O-CG 3.15Å; L283-M287 PolarHBondContact O-N 2.91Å |
| 284 | M | 94.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.4 | -52.1 | 178.7 | -71.8 | -66.9 | 156 | 0 | 0 | 110.9 | Y56 I57 S61 M81 Q83 V280 H288 | Y56-M284 HydrophobicContact CE1-CE 4.23Å; I57-M284 HydrophobicContact CB-CE 4.45Å; I57-M284 HydrophobicContact CD1-CE 4.24Å; I57-M284 HydrophobicContact CG1-CE 3.66Å; I57-M284 HydrophobicContact CG2-CE 4.45Å; S61-M284 VanDerWaalsContact OG-CE 3.32Å; S61-M284 WeakPolarHBondContact OG-CE 3.46Å; M81-M284 HydrophobicContact SD-CB 4.45Å; Q83-M284 PolarHBondContact NE2-SD 3.13Å; V280-M284 HydrophobicContact CG1-CG 3.82Å; V280-M284 VanDerWaalsContact O-CB 3.27Å; V280-M284 WeakPolarHBondContact O-CB 3.25Å; V280-M284 WeakPolarHBondContact O-CG 3.37Å; V280-M284 PolarHBondContact O-N 3.06Å; M284-H288 WeakPolarHBondContact O-CB 3.31Å; M284-H288 PolarHBondContact O-N 3.3Å; M284-H288 PolarHBondContact O-ND1 3.26Å |
| 285 | F | 96.7 | Very high | 95.6 | Very high | 94 Ų | 94 | 22.9 Ų | 22.9 | 41% | 0.412 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -59.8 | -51.7 | 178.5 | -178.3 | -111.5 | 0 | 0 | 0 | 111.2 | V77 M81 A281 L289 | V77-F285 HydrophobicContact CG1-CD2 4.07Å; V77-F285 HydrophobicContact CG1-CE2 4.27Å; M81-F285 HydrophobicContact CE-CB 3.93Å; M81-F285 VanDerWaalsContact SD-CA 3.59Å; M81-F285 HydrophobicContact SD-CB 3.56Å; M81-F285 VanDerWaalsContact SD-CB 3.56Å; M81-F285 HydrophobicContact SD-CD2 3.96Å; M81-F285 HydrophobicContact SD-CG 4.25Å; A281-F285 WeakPolarHBondContact O-CB 3.42Å; A281-F285 PolarHBondContact O-N 3.17Å; F285-L289 HydrophobicContact CE1-CD2 3.76Å; F285-L289 HydrophobicContact CE2-CD2 4.23Å; F285-L289 HydrophobicContact CZ-CD2 3.59Å; F285-L289 WeakPolarHBondContact O-CB 3.24Å; F285-L289 PolarHBondContact O-N 2.99Å |
| 286 | G | 96.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 21.3 Ų | 21.3 | 3% | 0.031 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.8 | -45.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I282 A290 | I282-G286 WeakPolarHBondContact O-CA 3.4Å; I282-G286 PolarHBondContact O-N 3.2Å; G286-A290 VanDerWaalsContact O-CB 3.23Å; G286-A290 WeakPolarHBondContact O-CB 3.3Å; G286-A290 PolarHBondContact O-N 3.46Å |
| 287 | M | 95.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -71.3 | -41.1 | -179.1 | -69.7 | -56.2 | -56.9 | 0 | 0 | 112.4 | F62 P66 T196 L199 L283 A290 G291 I308 | F62-M287 HydrophobicContact CD1-CE 3.49Å; F62-M287 VanDerWaalsContact CD1-CE 3.49Å; F62-M287 HydrophobicContact CD1-CG 3.93Å; F62-M287 HydrophobicContact CD1-SD 3.81Å; F62-M287 HydrophobicContact CE1-CE 3.84Å; F62-M287 HydrophobicContact CE1-CG 3.66Å; F62-M287 HydrophobicContact CE1-SD 3.49Å; F62-M287 WeakPolarHBondContact CE1-SD 3.23Å; F62-M287 HydrophobicContact CE2-CG 4.28Å; F62-M287 HydrophobicContact CG-CE 4.31Å; F62-M287 HydrophobicContact CG-CG 4.36Å; F62-M287 HydrophobicContact CZ-CG 3.85Å; F62-M287 HydrophobicContact CZ-SD 4.21Å; P66-M287 WeakPolarHBondContact CB-O 3.44Å; P66-M287 HydrophobicContact CG-CB 3.95Å; P66-M287 WeakPolarHBondContact CG-O 3.34Å; T196-M287 HydrophobicContact CG2-CG 3.72Å; T196-M287 HydrophobicContact CG2-SD 3.81Å; T196-M287 WeakPolarHBondContact OG1-CG 3.45Å; T196-M287 PolarHBondContact OG1-SD 3.41Å; T196-M287 VanDerWaalsContact OG1-SD 3.41Å; L199-M287 HydrophobicContact CD2-CE 3.99Å; L199-M287 HydrophobicContact CD2-SD 4.29Å; L283-M287 WeakPolarHBondContact O-CB 3.3Å; L283-M287 WeakPolarHBondContact O-CG 3.15Å; L283-M287 PolarHBondContact O-N 2.91Å; M287-A290 PolarHBondContact O-N 3Å; M287-G291 PolarHBondContact O-N 2.81Å; M287-I308 HydrophobicContact CE-CB 4.34Å; M287-I308 HydrophobicContact CE-CD1 3.68Å; M287-I308 HydrophobicContact CE-CG1 3.76Å; M287-I308 HydrophobicContact CE-CG2 3.64Å |
| 288 | H | 96.8 | Very high | 96 | Very high | 5 Ų | 5 | 21.4 Ų | 21.4 | 2% | 0.023 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70.1 | -39.6 | 179.2 | -68 | 69.6 | 0 | 0 | 0 | 111.1 | G65 A69 W76 V77 A80 M284 G291 A292 | G65-H288 VanDerWaalsContact C-CD2 3.46Å; G65-H288 WeakPolarHBondContact CA-NE2 3.48Å; G65-H288 PolarHBondContact O-CD2 3.46Å; A69-H288 HydrophobicContact CB-CB 4.33Å; A69-H288 VanDerWaalsContact CB-O 3.29Å; A69-H288 WeakPolarHBondContact CB-O 3.36Å; W76-H288 AromaticContact CD1-CD2 3.82Å; W76-H288 AromaticContact NE1-CD2 3.92Å; V77-H288 HydrophobicContact CG1-CB 4.34Å; V77-H288 HydrophobicContact CG2-CB 4.2Å; A80-H288 HydrophobicContact CB-CB 4.29Å; A80-H288 VanDerWaalsContact CB-CD2 3.43Å; A80-H288 WeakPolarHBondContact CB-CD2 3.21Å; M284-H288 WeakPolarHBondContact O-CB 3.31Å; M284-H288 PolarHBondContact O-N 3.3Å; M284-H288 PolarHBondContact O-ND1 3.26Å; H288-G291 PolarHBondContact O-N 2.98Å; H288-A292 PolarHBondContact O-N 2.67Å |
| 289 | L | 97.7 | Very high | 96 | Very high | 23 Ų | 23 | 19 Ų | 19 | 12% | 0.12 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.8 | -41.3 | 174.1 | -174.3 | 63.7 | 0 | 0 | 0 | 111.5 | L74 V77 L200 F285 G291 A292 L293 | L74-L289 HydrophobicContact CD2-CD1 3.82Å; V77-L289 HydrophobicContact CG1-CB 4.24Å; L200-L289 HydrophobicContact CD1-CB 4.18Å; L200-L289 HydrophobicContact CD1-CD2 3.96Å; L200-L289 HydrophobicContact CD1-CG 3.96Å; L200-L289 HydrophobicContact CD2-CD2 4.32Å; F285-L289 HydrophobicContact CE1-CD2 3.76Å; F285-L289 HydrophobicContact CE2-CD2 4.23Å; F285-L289 HydrophobicContact CZ-CD2 3.59Å; F285-L289 WeakPolarHBondContact O-CB 3.24Å; F285-L289 PolarHBondContact O-N 2.99Å; L289-G291 VanDerWaalsContact C-N 3.28Å; L289-G291 PolarHBondContact O-N 3.29Å; L289-A292 PolarHBondContact O-N 2.99Å; L289-L293 HydrophobicContact CD1-CD1 3.92Å; L289-L293 HydrophobicContact CD1-CD2 4.28Å; L289-L293 HydrophobicContact CD1-CG 3.83Å; L289-L293 HydrophobicContact CD2-CD1 4.31Å; L289-L293 HydrophobicContact CG-CD1 3.77Å; L289-L293 HydrophobicContact CG-CG 4.06Å; L289-L293 WeakPolarHBondContact O-CB 3.49Å; L289-L293 VanDerWaalsContact O-CG 3.29Å; L289-L293 WeakPolarHBondContact O-CG 3.45Å; L289-L293 PolarHBondContact O-N 3.04Å |
| 290 | A | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.1 | -39 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L199 L200 V203 G286 M287 G294 I308 L311 | L199-A290 HydrophobicContact CD2-CB 4.38Å; L199-A290 HydrophobicContact CG-CB 4.36Å; L200-A290 HydrophobicContact CD1-CB 4.18Å; V203-A290 HydrophobicContact CG2-CB 4.39Å; G286-A290 VanDerWaalsContact O-CB 3.23Å; G286-A290 WeakPolarHBondContact O-CB 3.3Å; G286-A290 PolarHBondContact O-N 3.46Å; M287-A290 PolarHBondContact O-N 3Å; A290-G294 WeakPolarHBondContact O-CA 3.43Å; A290-G294 PolarHBondContact O-N 3.29Å; A290-I308 HydrophobicContact CB-CD1 4.43Å; A290-L311 WeakPolarHBondContact O-CD1 3.33Å |
| 291 | G | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.3 | -53.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P66 Y70 M287 H288 L289 G294 | P66-G291 WeakPolarHBondContact O-CA 3.44Å; Y70-G291 WeakPolarHBondContact CB-O 3.32Å; M287-G291 PolarHBondContact O-N 2.81Å; H288-G291 PolarHBondContact O-N 2.98Å; L289-G291 VanDerWaalsContact C-N 3.28Å; L289-G291 PolarHBondContact O-N 3.29Å; G291-G294 PolarHBondContact O-N 3.33Å |
| 292 | A | 97.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 2% | 0.017 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.5 | -51.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A69 L74 V77 H288 L289 G294 R295 | A69-A292 HydrophobicContact CB-CB 4.1Å; A69-A292 WeakPolarHBondContact O-CA 3.48Å; L74-A292 HydrophobicContact CD2-CB 3.84Å; V77-A292 HydrophobicContact CG2-CB 3.86Å; H288-A292 PolarHBondContact O-N 2.67Å; L289-A292 PolarHBondContact O-N 2.99Å; A292-G294 PolarHBondContact O-N 3.21Å; A292-R295 WeakPolarHBondContact O-CB 3.42Å; A292-R295 PolarHBondContact O-N 3.4Å |
| 293 | L | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.8 | -25.1 | 177.3 | -60.7 | -177.6 | 0 | 0 | 0 | 112.1 | L74 L200 V203 V204 L210 A213 L217 L289 R295 A296 | L74-L293 HydrophobicContact CD2-CD2 4.35Å; L200-L293 HydrophobicContact CD1-CD1 4.47Å; V203-L293 HydrophobicContact CG1-CB 3.89Å; V204-L293 HydrophobicContact CG2-CD1 3.93Å; L210-L293 HydrophobicContact CD1-CD1 3.61Å; L210-L293 HydrophobicContact CD1-CD2 4.1Å; A213-L293 HydrophobicContact CB-CD2 3.97Å; L217-L293 HydrophobicContact CD1-CD2 4.13Å; L289-L293 HydrophobicContact CD1-CD1 3.92Å; L289-L293 HydrophobicContact CD1-CD2 4.28Å; L289-L293 HydrophobicContact CD1-CG 3.83Å; L289-L293 HydrophobicContact CD2-CD1 4.31Å; L289-L293 HydrophobicContact CG-CD1 3.77Å; L289-L293 HydrophobicContact CG-CG 4.06Å; L289-L293 WeakPolarHBondContact O-CB 3.49Å; L289-L293 VanDerWaalsContact O-CG 3.29Å; L289-L293 WeakPolarHBondContact O-CG 3.45Å; L289-L293 PolarHBondContact O-N 3.04Å; L293-R295 PolarHBondContact O-N 3.43Å; L293-A296 WeakPolarHBondContact O-CB 3.43Å; L293-A296 PolarHBondContact O-N 3.2Å |
| 294 | G | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.8 | -29.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | A290 G291 A292 A296 V297 I298 | A290-G294 WeakPolarHBondContact O-CA 3.43Å; A290-G294 PolarHBondContact O-N 3.29Å; G291-G294 PolarHBondContact O-N 3.33Å; A292-G294 PolarHBondContact O-N 3.21Å; G294-A296 PolarHBondContact O-N 2.82Å; G294-V297 PolarHBondContact O-N 3.47Å; G294-I298 PolarHBondContact O-N 2.9Å |
| 295 | R | 96.8 | Very high | 94.5 | Very high | 63 Ų | 63 | 31.8 Ų | 31.8 | 24% | 0.238 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.5 | -26.8 | 175.5 | -171.3 | 71.2 | 173.8 | -174.7 | -0.8 | 112.7 | Y70 L217 I220 L224 A292 L293 I298 P299 | Y70-R295 HydrophobicContact CD2-CB 3.69Å; Y70-R295 HydrophobicContact CD2-CG 4.4Å; Y70-R295 VanDerWaalsContact CE2-CA 3.42Å; Y70-R295 HydrophobicContact CE2-CB 3.72Å; Y70-R295 HydrophobicContact CE2-CG 4.16Å; Y70-R295 HydrophobicContact CG-CB 4.45Å; Y70-R295 WeakPolarHBondContact OH-CD 3.26Å; Y70-R295 PolarHBondContact OH-NH1 3.41Å; L217-R295 HydrophobicContact CD2-CB 3.62Å; L217-R295 HydrophobicContact CD2-CG 4.03Å; I220-R295 HydrophobicContact CD1-CG 4.3Å; I220-R295 WeakPolarHBondContact CD1-O 2.99Å; L224-R295 HydrophobicContact CD1-CG 4.24Å; A292-R295 WeakPolarHBondContact O-CB 3.42Å; A292-R295 PolarHBondContact O-N 3.4Å; L293-R295 PolarHBondContact O-N 3.43Å; R295-I298 CarbonylContact O-C 3.52Å; R295-P299 PolarHBondContact NE-O 3.46Å; R295-P299 PolarHBondContact NH1-O 2.8Å; R295-P299 PolarHBondContact NH2-O 3.08Å; R295-P299 WeakPolarHBondContact O-CA 3.21Å |
| 296 | A | 96.6 | Very high | 94.3 | Very high | 19 Ų | 19 | 28.6 Ų | 28.6 | 16% | 0.157 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -74.1 | -25.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A207 A213 T216 L217 L293 G294 | A207-A296 HydrophobicContact CB-CB 4.42Å; A213-A296 HydrophobicContact CB-CB 4.29Å; T216-A296 HydrophobicContact CG2-CB 3.83Å; L217-A296 HydrophobicContact CD2-CB 4.29Å; L293-A296 WeakPolarHBondContact O-CB 3.43Å; L293-A296 PolarHBondContact O-N 3.2Å; G294-A296 PolarHBondContact O-N 2.82Å |
| 297 | V | 96.3 | Very high | 94.2 | Very high | 18 Ų | 18 | 28.5 Ų | 28.5 | 11% | 0.109 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -91.2 | -33.2 | -179.9 | -175.7 | 0 | 0 | 0 | 0 | 111.5 | V203 A206 A207 G294 L311 K314 V315 | V203-V297 HydrophobicContact CG1-CG2 4.29Å; A206-V297 HydrophobicContact CB-CG1 4.03Å; A206-V297 HydrophobicContact CB-CG2 4.09Å; A207-V297 HydrophobicContact CB-CG2 3.84Å; G294-V297 PolarHBondContact O-N 3.47Å; V297-L311 HydrophobicContact CB-CD2 4.06Å; V297-L311 HydrophobicContact CG1-CD2 4.24Å; V297-K314 HydrophobicContact CG1-CD 4.11Å; V297-K314 PolarHBondContact O-NZ 3.43Å; V297-V315 HydrophobicContact CG1-CG1 4.19Å |
| 298 | I | 95.6 | Very high | 94.1 | Very high | 18 Ų | 18 | 28.5 Ų | 28.5 | 9% | 0.092 | 16% | 0.161 | C | C | . | . | trans | -136.5 | 85.3 | -177.1 | -48.3 | 174.7 | 0 | 0 | 0 | 107.9 | Y70 G294 R295 L301 T310 L311 K314 | Y70-I298 WeakPolarHBondContact CE2-O 3.11Å; Y70-I298 VanDerWaalsContact CZ-O 3.32Å; Y70-I298 PolarHBondContact OH-O 3.23Å; G294-I298 PolarHBondContact O-N 2.9Å; R295-I298 CarbonylContact O-C 3.52Å; I298-L301 HydrophobicContact CG2-CB 4.37Å; I298-L301 HydrophobicContact CG2-CD1 4.4Å; I298-T310 HydrophobicContact CD1-CG2 3.58Å; I298-L311 HydrophobicContact CD1-CD2 3.62Å; I298-L311 HydrophobicContact CD1-CG 4.03Å; I298-L311 HydrophobicContact CG1-CD2 4.02Å; I298-K314 HydrophobicContact CD1-CD 3.8Å; I298-K314 HydrophobicContact CG1-CD 3.63Å | ||
| 299 | P | 93.2 | Very high | 93.9 | Very high | 47 Ų | 47 | 28.3 Ų | 28.3 | 31% | 0.305 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -28.5 | -173.5 | 26.9 | -33.6 | 0 | 0 | 0 | 113.9 | Y70 I220 R295 | Y70-P299 PolarHBondContact OH-O 3.41Å; I220-P299 HydrophobicContact CD1-CB 4.06Å; R295-P299 PolarHBondContact NE-O 3.46Å; R295-P299 PolarHBondContact NH1-O 2.8Å; R295-P299 PolarHBondContact NH2-O 3.08Å; R295-P299 WeakPolarHBondContact O-CA 3.21Å |
| 300 | D | 90 | Very high | 93.6 | Very high | 142 Ų | 142 | 28.9 Ų | 28.9 | 76% | 0.759 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | 33.5 | -167.2 | -54.2 | -50.1 | 0 | 0 | 0 | 113.9 | T302 | D300-T302 PolarHBondContact O-N 3.4Š|
| 301 | L | 91 | Very high | 93.5 | Very high | 27 Ų | 27 | 28.9 Ų | 28.9 | 14% | 0.141 | 16% | 0.164 | C | C | . | . | trans | -73.9 | 122.5 | 177.1 | -160.7 | 74.1 | 0 | 0 | 0 | 109.9 | Y70 I298 V303 L306 V307 | Y70-L301 HydrophobicContact CE1-CB 3.75Å; Y70-L301 HydrophobicContact CE1-CD2 4.33Å; Y70-L301 HydrophobicContact CE2-CB 4.35Å; Y70-L301 VanDerWaalsContact CZ-CB 3.45Å; Y70-L301 WeakPolarHBondContact OH-CB 3.39Å; Y70-L301 PolarHBondContact OH-N 3.33Å; I298-L301 HydrophobicContact CG2-CB 4.37Å; I298-L301 HydrophobicContact CG2-CD1 4.4Å; L301-V303 VanDerWaalsContact CD2-O 3.24Å; L301-V303 WeakPolarHBondContact CD2-O 3.47Å; L301-V303 WeakPolarHBondContact CG-O 3.19Å; L301-L306 HydrophobicContact CD1-CB 4.42Å; L301-L306 HydrophobicContact CD2-CB 4.15Å; L301-V307 VanDerWaalsContact CD2-CA 3.48Å; L301-V307 HydrophobicContact CD2-CB 3.82Å | ||
| 302 | T | 88 | Confident | 93.3 | Very high | 131 Ų | 131 | 28.9 Ų | 28.9 | 80% | 0.804 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -75.4 | -37.9 | -178.1 | 50.2 | 0 | 0 | 0 | 0 | 112.9 | D300 | D300-T302 PolarHBondContact O-N 3.4Š|
| 303 | V | 88.4 | Confident | 93 | Very high | 48 Ų | 48 | 30.9 Ų | 30.9 | 29% | 0.291 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -110.8 | 104.5 | 178.7 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | L301 D305 L306 | L301-V303 VanDerWaalsContact CD2-O 3.24Å; L301-V303 WeakPolarHBondContact CD2-O 3.47Å; L301-V303 WeakPolarHBondContact CG-O 3.19Å; V303-D305 HydrophobicContact CG1-CB 4.33Å; V303-D305 PolarHBondContact O-N 3.09Å; V303-L306 HydrophobicContact CB-CD1 4Å; V303-L306 HydrophobicContact CB-CG 3.91Å; V303-L306 HydrophobicContact CG1-CD1 4.43Å; V303-L306 HydrophobicContact CG1-CG 3.93Å; V303-L306 WeakPolarHBondContact O-CB 3.31Å; V303-L306 PolarHBondContact O-N 3.1Å |
| 304 | P | 90.4 | Very high | 92.7 | Very high | 21 Ų | 21 | 36.9 Ų | 36.9 | 14% | 0.136 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -56.4 | -34.5 | -175.4 | -27 | 34.9 | 0 | 0 | 0 | 114 | G67 Y70 K71 L306 V307 M391 | G67-P304 WeakPolarHBondContact CA-O 3.28Å; G67-P304 VanDerWaalsContact O-CB 3.28Å; G67-P304 WeakPolarHBondContact O-CB 3.5Å; Y70-P304 HydrophobicContact CD1-CB 4.01Å; K71-P304 HydrophobicContact CB-CB 4.39Å; K71-P304 HydrophobicContact CB-CG 4.24Å; K71-P304 HydrophobicContact CD-CG 4.35Å; P304-L306 PolarHBondContact O-N 3.48Å; P304-L306 VanDerWaalsContact O-N 3.08Å; P304-V307 VanDerWaalsContact O-CB 3.26Å; P304-V307 WeakPolarHBondContact O-CB 3.38Å; P304-V307 WeakPolarHBondContact O-CG1 3.48Å; P304-V307 PolarHBondContact O-N 3.1Å; P304-M391 HydrophobicContact CB-CE 4.29Å; P304-M391 HydrophobicContact CB-SD 4.1Å; P304-M391 HydrophobicContact CG-SD 4.11Å |
| 305 | D | 88.8 | Confident | 92.5 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 3% | 0.032 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -61.3 | -17.5 | 178.3 | -77 | -3.1 | 0 | 0 | 0 | 113.1 | I63 G64 V303 V307 M391 I392 | I63-D305 HydrophobicContact CG2-CB 3.84Å; I63-D305 WeakPolarHBondContact CG2-O 3.24Å; G64-D305 WeakPolarHBondContact CA-OD1 3.45Å; V303-D305 HydrophobicContact CG1-CB 4.33Å; V303-D305 PolarHBondContact O-N 3.09Å; D305-V307 VanDerWaalsContact C-N 3.27Å; D305-V307 PolarHBondContact O-N 3.24Å; D305-M391 WeakPolarHBondContact OD1-CE 3.34Å; D305-I392 WeakPolarHBondContact OD2-CB 3.35Å; D305-I392 WeakPolarHBondContact OD2-CG1 3.39Å; D305-I392 PolarHBondContact OD2-N 3.32Å |
| 306 | L | 91.3 | Very high | 92.3 | Very high | 28 Ų | 28 | 36 Ų | 36 | 15% | 0.147 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -82.8 | -0.9 | 176.1 | -55 | -173.3 | 0 | 0 | 0 | 113.3 | R148 T152 L301 V303 P304 I308 P309 T310 | R148-L306 HydrophobicContact CB-CD2 4.15Å; R148-L306 HydrophobicContact CG-CD2 4.46Å; T152-L306 WeakPolarHBondContact OG1-CD2 3.15Å; L301-L306 HydrophobicContact CD1-CB 4.42Å; L301-L306 HydrophobicContact CD2-CB 4.15Å; V303-L306 HydrophobicContact CB-CD1 4Å; V303-L306 HydrophobicContact CB-CG 3.91Å; V303-L306 HydrophobicContact CG1-CD1 4.43Å; V303-L306 HydrophobicContact CG1-CG 3.93Å; V303-L306 WeakPolarHBondContact O-CB 3.31Å; V303-L306 PolarHBondContact O-N 3.1Å; P304-L306 PolarHBondContact O-N 3.48Å; P304-L306 VanDerWaalsContact O-N 3.08Å; L306-I308 PolarHBondContact O-N 3.21Å; L306-P309 VanDerWaalsContact O-CD 3.32Å; L306-P309 WeakPolarHBondContact O-CD 3.22Å; L306-P309 WeakPolarHBondContact O-CG 3.2Å; L306-T310 VanDerWaalsContact O-CB 3.27Å; L306-T310 WeakPolarHBondContact O-CB 3.45Å; L306-T310 PolarHBondContact O-N 3.35Å; L306-T310 PolarHBondContact O-OG1 3.44Å |
| 307 | V | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.2 | -50.4 | -170.9 | 67 | 0 | 0 | 0 | 0 | 112.2 | P66 Y70 L301 P304 D305 T310 L311 | P66-V307 HydrophobicContact CB-CG1 4.33Å; Y70-V307 HydrophobicContact CD2-CB 4.05Å; Y70-V307 HydrophobicContact CD2-CG2 3.35Å; Y70-V307 HydrophobicContact CE2-CG2 3.89Å; Y70-V307 HydrophobicContact CG-CB 4.14Å; Y70-V307 HydrophobicContact CG-CG2 3.9Å; L301-V307 VanDerWaalsContact CD2-CA 3.48Å; L301-V307 HydrophobicContact CD2-CB 3.82Å; P304-V307 VanDerWaalsContact O-CB 3.26Å; P304-V307 WeakPolarHBondContact O-CB 3.38Å; P304-V307 WeakPolarHBondContact O-CG1 3.48Å; P304-V307 PolarHBondContact O-N 3.1Å; D305-V307 VanDerWaalsContact C-N 3.27Å; D305-V307 PolarHBondContact O-N 3.24Å; V307-T310 PolarHBondContact O-N 3.17Å; V307-L311 HydrophobicContact CG2-CD1 3.68Å; V307-L311 HydrophobicContact CG2-CG 4.11Å; V307-L311 WeakPolarHBondContact O-CB 3.36Å; V307-L311 WeakPolarHBondContact O-CG 3.22Å; V307-L311 PolarHBondContact O-N 3.04Å |
| 308 | I | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.1 | -52 | -177.2 | -64.8 | -53.2 | 0 | 0 | 0 | 112.9 | F62 P66 L199 M287 A290 L306 T310 L311 M312 P328 | F62-I308 WeakPolarHBondContact O-CG1 3.12Å; P66-I308 HydrophobicContact CB-CD1 3.7Å; P66-I308 HydrophobicContact CB-CG1 3.56Å; P66-I308 HydrophobicContact CG-CD1 4.32Å; P66-I308 HydrophobicContact CG-CG1 4.04Å; L199-I308 HydrophobicContact CD2-CD1 3.96Å; L199-I308 HydrophobicContact CD2-CG2 3.94Å; M287-I308 HydrophobicContact CE-CB 4.34Å; M287-I308 HydrophobicContact CE-CD1 3.68Å; M287-I308 HydrophobicContact CE-CG1 3.76Å; M287-I308 HydrophobicContact CE-CG2 3.64Å; A290-I308 HydrophobicContact CB-CD1 4.43Å; L306-I308 PolarHBondContact O-N 3.21Å; I308-T310 VanDerWaalsContact C-N 3.27Å; I308-T310 PolarHBondContact O-N 3.39Å; I308-L311 HydrophobicContact CD1-CD1 4.36Å; I308-L311 PolarHBondContact O-N 3.48Å; I308-M312 HydrophobicContact CG2-CE 4.25Å; I308-M312 WeakPolarHBondContact O-CG 3.26Å; I308-M312 PolarHBondContact O-N 3.41Å; I308-P328 HydrophobicContact CG2-CG 4.1Å |
| 309 | P | 91.5 | Very high | 91 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.1 | -36 | 177.8 | 22.2 | -31.5 | 0 | 0 | 0 | 112.1 | L149 T152 A153 L306 M312 V313 L325 | L149-P309 HydrophobicContact CD2-CB 4.01Å; L149-P309 HydrophobicContact CD2-CG 4.14Å; T152-P309 HydrophobicContact CG2-CB 3.86Å; T152-P309 HydrophobicContact CG2-CG 3.96Å; A153-P309 HydrophobicContact CB-CB 4.38Å; L306-P309 VanDerWaalsContact O-CD 3.32Å; L306-P309 WeakPolarHBondContact O-CD 3.22Å; L306-P309 WeakPolarHBondContact O-CG 3.2Å; P309-M312 PolarHBondContact O-N 2.87Å; P309-V313 WeakPolarHBondContact O-CG2 3.33Å; P309-V313 PolarHBondContact O-N 3.35Å; P309-L325 HydrophobicContact CB-CD2 4.38Å |
| 310 | T | 93.3 | Very high | 90.7 | Very high | 35 Ų | 35 | 44.9 Ų | 44.9 | 22% | 0.215 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.2 | -42.7 | 176.6 | -49 | 0 | 0 | 0 | 0 | 111.5 | T152 I298 L306 V307 I308 V313 K314 | T152-T310 WeakPolarHBondContact CG2-OG1 3.49Å; I298-T310 HydrophobicContact CD1-CG2 3.58Å; L306-T310 VanDerWaalsContact O-CB 3.27Å; L306-T310 WeakPolarHBondContact O-CB 3.45Å; L306-T310 PolarHBondContact O-N 3.35Å; L306-T310 PolarHBondContact O-OG1 3.44Å; V307-T310 PolarHBondContact O-N 3.17Å; I308-T310 VanDerWaalsContact C-N 3.27Å; I308-T310 PolarHBondContact O-N 3.39Å; T310-V313 PolarHBondContact O-N 3.4Å; T310-K314 VanDerWaalsContact O-CB 3.25Å; T310-K314 WeakPolarHBondContact O-CB 3.09Å; T310-K314 PolarHBondContact O-N 3.05Å |
| 311 | L | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.8 | -45 | 175.2 | -73.4 | 170.3 | 0 | 0 | 0 | 111 | L199 V203 A290 V297 I298 V307 I308 V313 K314 V315 | L199-L311 HydrophobicContact CD1-CB 4.12Å; V203-L311 HydrophobicContact CG2-CB 4.3Å; V203-L311 HydrophobicContact CG2-CD1 3.86Å; V203-L311 HydrophobicContact CG2-CD2 4.17Å; V203-L311 HydrophobicContact CG2-CG 4.35Å; A290-L311 WeakPolarHBondContact O-CD1 3.33Å; V297-L311 HydrophobicContact CB-CD2 4.06Å; V297-L311 HydrophobicContact CG1-CD2 4.24Å; I298-L311 HydrophobicContact CD1-CD2 3.62Å; I298-L311 HydrophobicContact CD1-CG 4.03Å; I298-L311 HydrophobicContact CG1-CD2 4.02Å; V307-L311 HydrophobicContact CG2-CD1 3.68Å; V307-L311 HydrophobicContact CG2-CG 4.11Å; V307-L311 WeakPolarHBondContact O-CB 3.36Å; V307-L311 WeakPolarHBondContact O-CG 3.22Å; V307-L311 PolarHBondContact O-N 3.04Å; I308-L311 HydrophobicContact CD1-CD1 4.36Å; I308-L311 PolarHBondContact O-N 3.48Å; L311-V313 VanDerWaalsContact C-N 3.31Å; L311-V313 PolarHBondContact O-N 2.92Å; L311-K314 PolarHBondContact O-N 3.23Å; L311-V315 HydrophobicContact CD2-CG1 4.31Å; L311-V315 WeakPolarHBondContact O-CG1 3.22Å; L311-V315 VanDerWaalsContact O-CG2 3.24Å; L311-V315 WeakPolarHBondContact O-CG2 3.28Å; L311-V315 PolarHBondContact O-N 3.04Å |
| 312 | M | 92 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.8 | -45.6 | 178.8 | -78.1 | -166.3 | 174.6 | 0 | 0 | 112.1 | L199 I308 P309 K314 L316 A321 F324 L325 P328 | L199-M312 HydrophobicContact CD1-CG 3.83Å; L199-M312 HydrophobicContact CD2-CE 3.9Å; L199-M312 HydrophobicContact CD2-CG 4.17Å; I308-M312 HydrophobicContact CG2-CE 4.25Å; I308-M312 WeakPolarHBondContact O-CG 3.26Å; I308-M312 PolarHBondContact O-N 3.41Å; P309-M312 PolarHBondContact O-N 2.87Å; M312-K314 VanDerWaalsContact C-N 3.34Å; M312-L316 HydrophobicContact CG-CD1 4.48Å; M312-L316 VanDerWaalsContact O-CB 3.29Å; M312-L316 WeakPolarHBondContact O-CB 3.49Å; M312-L316 PolarHBondContact O-N 2.89Å; M312-A321 WeakPolarHBondContact O-CB 3.27Å; M312-F324 HydrophobicContact CE-CB 4.43Å; M312-F324 WeakPolarHBondContact CE-O 3.24Å; M312-L325 HydrophobicContact CB-CD2 4.47Å; M312-L325 HydrophobicContact CB-CG 4.49Å; M312-L325 HydrophobicContact SD-CB 4.36Å; M312-L325 HydrophobicContact SD-CD2 3.75Å; M312-L325 HydrophobicContact SD-CG 3.74Å; M312-P328 HydrophobicContact CE-CG 3.85Å; M312-P328 HydrophobicContact SD-CG 4.34Å |
| 313 | V | 90.9 | Very high | 90.3 | Very high | 45 Ų | 45 | 34.1 Ų | 34.1 | 27% | 0.273 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -70 | -32.4 | 177.8 | 176.9 | 0 | 0 | 0 | 0 | 112 | A153 P309 T310 L311 | A153-V313 HydrophobicContact CB-CG2 4.13Å; P309-V313 WeakPolarHBondContact O-CG2 3.33Å; P309-V313 PolarHBondContact O-N 3.35Å; T310-V313 PolarHBondContact O-N 3.4Å; L311-V313 VanDerWaalsContact C-N 3.31Å; L311-V313 PolarHBondContact O-N 2.92Å |
| 314 | K | 92.1 | Very high | 90.1 | Very high | 125 Ų | 125 | 33.6 Ų | 33.6 | 54% | 0.543 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -82.7 | -37.2 | -175.5 | -169.8 | 174.1 | -176.4 | 179.6 | 0 | 113.9 | V297 I298 T310 L311 M312 | V297-K314 HydrophobicContact CG1-CD 4.11Å; V297-K314 PolarHBondContact O-NZ 3.43Å; I298-K314 HydrophobicContact CD1-CD 3.8Å; I298-K314 HydrophobicContact CG1-CD 3.63Å; T310-K314 VanDerWaalsContact O-CB 3.25Å; T310-K314 WeakPolarHBondContact O-CB 3.09Å; T310-K314 PolarHBondContact O-N 3.05Å; L311-K314 PolarHBondContact O-N 3.23Å; M312-K314 VanDerWaalsContact C-N 3.34Å |
| 315 | V | 93.6 | Very high | 89.9 | Confident | 27 Ų | 27 | 32.7 Ų | 32.7 | 16% | 0.164 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -103.1 | -13.9 | -170.9 | -47.2 | 0 | 0 | 0 | 0 | 113.6 | L199 V203 A206 V297 L311 | L199-V315 HydrophobicContact CD1-CG2 3.95Å; V203-V315 HydrophobicContact CG2-CG2 4.36Å; A206-V315 HydrophobicContact CB-CB 4.13Å; A206-V315 HydrophobicContact CB-CG1 3.63Å; V297-V315 HydrophobicContact CG1-CG1 4.19Å; L311-V315 HydrophobicContact CD2-CG1 4.31Å; L311-V315 WeakPolarHBondContact O-CG1 3.22Å; L311-V315 VanDerWaalsContact O-CG2 3.24Å; L311-V315 WeakPolarHBondContact O-CG2 3.28Å; L311-V315 PolarHBondContact O-N 3.04Å |
| 316 | L | 91.7 | Very high | 89.9 | Confident | 19 Ų | 19 | 32.6 Ų | 32.6 | 10% | 0.099 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -113.4 | 150.2 | 179.1 | -54.4 | 175.1 | 0 | 0 | 0 | 110.9 | V198 M312 A320 A321 F324 | V198-L316 HydrophobicContact CG1-CD1 4.41Å; V198-L316 HydrophobicContact CG1-CD2 3.83Å; M312-L316 HydrophobicContact CG-CD1 4.48Å; M312-L316 VanDerWaalsContact O-CB 3.29Å; M312-L316 WeakPolarHBondContact O-CB 3.49Å; M312-L316 PolarHBondContact O-N 2.89Å; L316-A320 HydrophobicContact CB-CB 4.43Å; L316-A321 HydrophobicContact CB-CB 4.27Å; L316-F324 HydrophobicContact CD1-CB 4.29Å; L316-F324 HydrophobicContact CD1-CD2 4.15Å |
| 317 | P | 89.5 | Confident | 89.8 | Confident | 87 Ų | 87 | 31.2 Ų | 31.2 | 57% | 0.565 | 17% | 0.169 | S | C | * | . | trans | -55.6 | 145.7 | 168.4 | -23.6 | 33 | 0 | 0 | 0 | 111.1 | F319 A320 A321 | P317-F319 VanDerWaalsContact C-N 3.33Å; P317-F319 PolarHBondContact O-N 3.43Å; P317-F319 VanDerWaalsContact O-N 3.16Å; P317-A320 HydrophobicContact CB-CB 4.34Å; P317-A320 HydrophobicContact CG-CB 4.5Å; P317-A320 CarbonylContact O-C 3.57Å; P317-A320 WeakPolarHBondContact O-CA 3.08Å; P317-A320 WeakPolarHBondContact O-CB 3.27Å; P317-A320 PolarHBondContact O-N 3.2Å; P317-A321 PolarHBondContact O-N 2.97Å | ||
| 318 | P | 85.5 | Confident | 89.6 | Confident | 60 Ų | 60 | 31.2 Ų | 31.2 | 39% | 0.39 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -53.6 | -43.4 | -171.1 | -28.5 | 33.7 | 0 | 0 | 0 | 114.8 | E4 A321 G322 | E4-P318 HydrophobicContact CB-CB 3.89Å; E4-P318 WeakPolarHBondContact OE2-CB 3.21Å; E4-P318 WeakPolarHBondContact OE2-CG 3.05Å; P318-A321 WeakPolarHBondContact O-CB 2.93Å; P318-A321 PolarHBondContact O-N 2.97Å; P318-G322 PolarHBondContact O-N 3.25Å |
| 319 | F | 86.1 | Confident | 89.4 | Confident | 116 Ų | 116 | 31.3 Ų | 31.3 | 51% | 0.509 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -65.3 | -39.9 | 177.1 | -172.9 | -100.3 | 0 | 0 | 0 | 112.6 | L7 P8 P317 G322 I323 | L7-F319 HydrophobicContact CD2-CE2 4.48Å; P8-F319 HydrophobicContact CG-CD2 3.7Å; P8-F319 HydrophobicContact CG-CE2 3.72Å; P8-F319 HydrophobicContact CG-CG 4.36Å; P8-F319 HydrophobicContact CG-CZ 4.38Å; P317-F319 VanDerWaalsContact C-N 3.33Å; P317-F319 PolarHBondContact O-N 3.43Å; P317-F319 VanDerWaalsContact O-N 3.16Å; F319-G322 PolarHBondContact O-N 3.24Å; F319-I323 HydrophobicContact CD1-CD1 3.86Å; F319-I323 HydrophobicContact CE1-CD1 3.49Å; F319-I323 VanDerWaalsContact CE1-CD1 3.49Å; F319-I323 HydrophobicContact CE1-CG1 4.37Å; F319-I323 HydrophobicContact CZ-CD1 4.22Å; F319-I323 PolarHBondContact O-N 3.27Å; F319-I323 VanDerWaalsContact O-N 3.15Å |
| 320 | A | 87.4 | Confident | 89.3 | Confident | 24 Ų | 24 | 31.3 Ų | 31.3 | 20% | 0.198 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.5 | -38.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L316 P317 G322 I323 F324 | L316-A320 HydrophobicContact CB-CB 4.43Å; P317-A320 HydrophobicContact CB-CB 4.34Å; P317-A320 HydrophobicContact CG-CB 4.5Å; P317-A320 CarbonylContact O-C 3.57Å; P317-A320 WeakPolarHBondContact O-CA 3.08Å; P317-A320 WeakPolarHBondContact O-CB 3.27Å; P317-A320 PolarHBondContact O-N 3.2Å; A320-G322 VanDerWaalsContact C-N 3.31Å; A320-G322 PolarHBondContact O-N 3.43Å; A320-I323 PolarHBondContact O-N 2.99Å; A320-F324 HydrophobicContact CB-CD2 4.31Å; A320-F324 HydrophobicContact CB-CE2 4.33Å; A320-F324 WeakPolarHBondContact O-CD2 3.22Å; A320-F324 PolarHBondContact O-N 2.54Å |
| 321 | A | 87.3 | Confident | 89.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.8 | -46.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | M312 L316 P317 P318 I323 F324 L325 | M312-A321 WeakPolarHBondContact O-CB 3.27Å; L316-A321 HydrophobicContact CB-CB 4.27Å; P317-A321 PolarHBondContact O-N 2.97Å; P318-A321 WeakPolarHBondContact O-CB 2.93Å; P318-A321 PolarHBondContact O-N 2.97Å; A321-I323 PolarHBondContact O-N 3.43Å; A321-F324 PolarHBondContact O-N 3.48Å; A321-L325 WeakPolarHBondContact O-CB 3.19Å; A321-L325 WeakPolarHBondContact O-CD1 3.37Å; A321-L325 WeakPolarHBondContact O-CG 3.42Å; A321-L325 PolarHBondContact O-N 2.63Å |
| 322 | G | 86.4 | Confident | 89 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.1 | -45.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V5 P318 F319 A320 | V5-G322 WeakPolarHBondContact O-CA 3.35Å; P318-G322 PolarHBondContact O-N 3.25Å; F319-G322 PolarHBondContact O-N 3.24Å; A320-G322 VanDerWaalsContact C-N 3.31Å; A320-G322 PolarHBondContact O-N 3.43Å |
| 323 | I | 86.5 | Confident | 88.9 | Confident | 74 Ų | 74 | 29.6 Ų | 29.6 | 38% | 0.379 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63.9 | -45.3 | 177.7 | -67.9 | 172.9 | 0 | 0 | 0 | 110.8 | P8 F319 A320 A321 A326 | P8-I323 HydrophobicContact CB-CG1 3.82Å; P8-I323 HydrophobicContact CG-CG1 4.35Å; F319-I323 HydrophobicContact CD1-CD1 3.86Å; F319-I323 HydrophobicContact CE1-CD1 3.49Å; F319-I323 VanDerWaalsContact CE1-CD1 3.49Å; F319-I323 HydrophobicContact CE1-CG1 4.37Å; F319-I323 HydrophobicContact CZ-CD1 4.22Å; F319-I323 PolarHBondContact O-N 3.27Å; F319-I323 VanDerWaalsContact O-N 3.15Å; A320-I323 PolarHBondContact O-N 2.99Å; A321-I323 PolarHBondContact O-N 3.43Å; I323-A326 WeakPolarHBondContact O-CB 3.02Å; I323-A326 PolarHBondContact O-N 2.87Å |
| 324 | F | 85.8 | Confident | 88.8 | Confident | 38 Ų | 38 | 27.5 Ų | 27.5 | 17% | 0.167 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -85.1 | -15.2 | -173.1 | -65.8 | -59.7 | 0 | 0 | 0 | 114 | I194 V198 M312 L316 A320 A321 A326 A327 P328 | I194-F324 HydrophobicContact CB-CE1 4.42Å; I194-F324 HydrophobicContact CG2-CE1 3.61Å; I194-F324 HydrophobicContact CG2-CZ 4.2Å; V198-F324 HydrophobicContact CB-CD2 4.47Å; V198-F324 HydrophobicContact CB-CE1 4.49Å; V198-F324 HydrophobicContact CB-CE2 4.27Å; V198-F324 HydrophobicContact CB-CZ 4.28Å; V198-F324 HydrophobicContact CG1-CD2 3.88Å; V198-F324 HydrophobicContact CG1-CE2 3.71Å; V198-F324 HydrophobicContact CG1-CG 4.5Å; V198-F324 HydrophobicContact CG1-CZ 4.18Å; V198-F324 HydrophobicContact CG2-CE1 4.2Å; V198-F324 HydrophobicContact CG2-CE2 4.26Å; V198-F324 HydrophobicContact CG2-CZ 3.88Å; M312-F324 HydrophobicContact CE-CB 4.43Å; M312-F324 WeakPolarHBondContact CE-O 3.24Å; L316-F324 HydrophobicContact CD1-CB 4.29Å; L316-F324 HydrophobicContact CD1-CD2 4.15Å; A320-F324 HydrophobicContact CB-CD2 4.31Å; A320-F324 HydrophobicContact CB-CE2 4.33Å; A320-F324 WeakPolarHBondContact O-CD2 3.22Å; A320-F324 PolarHBondContact O-N 2.54Å; A321-F324 PolarHBondContact O-N 3.48Å; F324-A326 PolarHBondContact O-N 3.45Å; F324-A327 VanDerWaalsContact O-CB 3.27Å; F324-A327 WeakPolarHBondContact O-CB 3.29Å; F324-A327 PolarHBondContact O-N 2.89Å; F324-P328 WeakPolarHBondContact O-CD 3.19Å |
| 325 | L | 86 | Confident | 88.6 | Confident | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -20.4 | 163.9 | -79.2 | 155.2 | 0 | 0 | 0 | 112.5 | V5 L9 L149 A153 P309 M312 A321 A327 P328 M329 | V5-L325 HydrophobicContact CG1-CD1 3.35Å; L9-L325 HydrophobicContact CD1-CB 4.24Å; L149-L325 HydrophobicContact CD2-CD2 4.46Å; A153-L325 HydrophobicContact CB-CD1 3.34Å; A153-L325 HydrophobicContact CB-CD2 3.48Å; A153-L325 VanDerWaalsContact CB-CD2 3.48Å; A153-L325 HydrophobicContact CB-CG 4.04Å; P309-L325 HydrophobicContact CB-CD2 4.38Å; M312-L325 HydrophobicContact CB-CD2 4.47Å; M312-L325 HydrophobicContact CB-CG 4.49Å; M312-L325 HydrophobicContact SD-CB 4.36Å; M312-L325 HydrophobicContact SD-CD2 3.75Å; M312-L325 HydrophobicContact SD-CG 3.74Å; A321-L325 WeakPolarHBondContact O-CB 3.19Å; A321-L325 WeakPolarHBondContact O-CD1 3.37Å; A321-L325 WeakPolarHBondContact O-CG 3.42Å; A321-L325 PolarHBondContact O-N 2.63Å; L325-A327 PolarHBondContact O-N 2.82Å; L325-P328 WeakPolarHBondContact O-CD 3.49Å; L325-M329 WeakPolarHBondContact O-CG 3.32Å; L325-M329 PolarHBondContact O-N 3.5Å |
| 326 | A | 87.2 | Confident | 88.4 | Confident | 4 Ų | 4 | 20.3 Ų | 20.3 | 3% | 0.033 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.1 | -21.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y12 V191 I323 F324 A330 | Y12-A326 HydrophobicContact CD1-CB 3.83Å; Y12-A326 HydrophobicContact CD2-CB 3.62Å; Y12-A326 HydrophobicContact CE1-CB 4.1Å; Y12-A326 HydrophobicContact CE2-CB 3.91Å; Y12-A326 HydrophobicContact CG-CB 3.57Å; V191-A326 HydrophobicContact CG1-CB 3.76Å; I323-A326 WeakPolarHBondContact O-CB 3.02Å; I323-A326 PolarHBondContact O-N 2.87Å; F324-A326 PolarHBondContact O-N 3.45Å; A326-A330 WeakPolarHBondContact O-CA 3.34Å; A326-A330 WeakPolarHBondContact O-CB 3.38Å; A326-A330 PolarHBondContact O-N 3.06Å |
| 327 | A | 90.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -70.5 | -56.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F62 V191 M192 F324 L325 M329 A330 A331 | F62-A327 HydrophobicContact CE1-CB 4.09Å; V191-A327 HydrophobicContact CG1-CB 4.25Å; M192-A327 WeakPolarHBondContact CG-O 3.17Å; F324-A327 VanDerWaalsContact O-CB 3.27Å; F324-A327 WeakPolarHBondContact O-CB 3.29Å; F324-A327 PolarHBondContact O-N 2.89Å; L325-A327 PolarHBondContact O-N 2.82Å; A327-M329 VanDerWaalsContact C-N 3.27Å; A327-M329 PolarHBondContact O-N 3.42Å; A327-A330 WeakPolarHBondContact O-CB 3.17Å; A327-A330 PolarHBondContact O-N 3.42Å; A327-A331 PolarHBondContact O-N 3.36Å; A327-A331 VanDerWaalsContact O-N 3.13Å |
| 328 | P | 90.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -56.2 | -41.1 | 169.4 | -24.1 | 29.4 | 0 | 0 | 0 | 112.5 | F62 L149 I308 M312 F324 L325 A330 A331 I332 | F62-P328 HydrophobicContact CB-CB 4.35Å; F62-P328 HydrophobicContact CD1-CB 4.14Å; F62-P328 HydrophobicContact CD1-CG 3.9Å; L149-P328 HydrophobicContact CD1-CB 3.53Å; L149-P328 HydrophobicContact CD2-CB 3.67Å; L149-P328 HydrophobicContact CD2-CG 4.18Å; L149-P328 HydrophobicContact CG-CB 4.25Å; I308-P328 HydrophobicContact CG2-CG 4.1Å; M312-P328 HydrophobicContact CE-CG 3.85Å; M312-P328 HydrophobicContact SD-CG 4.34Å; F324-P328 WeakPolarHBondContact O-CD 3.19Å; L325-P328 WeakPolarHBondContact O-CD 3.49Å; P328-A330 PolarHBondContact O-N 2.86Å; P328-A331 WeakPolarHBondContact O-CB 3.25Å; P328-A331 PolarHBondContact O-N 2.94Å; P328-I332 VanDerWaalsContact O-CG1 3.24Å; P328-I332 WeakPolarHBondContact O-CG1 3.22Å; P328-I332 PolarHBondContact O-N 2.9Å |
| 329 | M | 89.6 | Confident | 88.1 | Confident | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.01 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -63.4 | -40.5 | 176.9 | -72.5 | -175.6 | 72.9 | 0 | 0 | 112.8 | L9 Y12 L13 L149 F165 L325 A327 I332 M333 | L9-M329 HydrophobicContact CD1-SD 3.35Å; L9-M329 WeakPolarHBondContact CD1-SD 3.11Å; L9-M329 HydrophobicContact CD2-CE 3.9Å; L9-M329 HydrophobicContact CD2-SD 3.77Å; L9-M329 HydrophobicContact CG-CE 4.21Å; L9-M329 HydrophobicContact CG-SD 3.45Å; L9-M329 WeakPolarHBondContact CG-SD 3.17Å; Y12-M329 HydrophobicContact CE1-CB 4.33Å; L13-M329 HydrophobicContact CD1-CE 4.46Å; L13-M329 HydrophobicContact CD2-CE 4.04Å; L13-M329 HydrophobicContact CG-CE 4.39Å; L149-M329 HydrophobicContact CD1-CG 4.03Å; F165-M329 HydrophobicContact CD2-CE 4.03Å; F165-M329 HydrophobicContact CE2-CE 3.88Å; L325-M329 WeakPolarHBondContact O-CG 3.32Å; L325-M329 PolarHBondContact O-N 3.5Å; A327-M329 VanDerWaalsContact C-N 3.27Å; A327-M329 PolarHBondContact O-N 3.42Å; M329-I332 PolarHBondContact O-N 3.04Å; M329-M333 HydrophobicContact CE-SD 4.46Å; M329-M333 VanDerWaalsContact O-CB 3.29Å; M329-M333 WeakPolarHBondContact O-CB 3.41Å; M329-M333 WeakPolarHBondContact O-CG 3.16Å; M329-M333 PolarHBondContact O-N 3.42Å |
| 330 | A | 90.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -57.1 | -48.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y12 Q188 M192 A326 A327 P328 I332 M333 S334 | Y12-A330 WeakPolarHBondContact OH-CA 3.37Å; Y12-A330 WeakPolarHBondContact OH-CB 3.45Å; Q188-A330 HydrophobicContact CB-CB 3.63Å; Q188-A330 HydrophobicContact CG-CB 3.58Å; Q188-A330 PolarHBondContact OE1-O 2.92Å; M192-A330 HydrophobicContact CG-CB 3.86Å; M192-A330 HydrophobicContact SD-CB 4.1Å; A326-A330 WeakPolarHBondContact O-CA 3.34Å; A326-A330 WeakPolarHBondContact O-CB 3.38Å; A326-A330 PolarHBondContact O-N 3.06Å; A327-A330 WeakPolarHBondContact O-CB 3.17Å; A327-A330 PolarHBondContact O-N 3.42Å; P328-A330 PolarHBondContact O-N 2.86Å; A330-I332 VanDerWaalsContact C-N 3.34Å; A330-I332 PolarHBondContact O-N 3.37Å; A330-M333 PolarHBondContact O-N 3.11Å; A330-S334 WeakPolarHBondContact O-CB 3.33Å; A330-S334 PolarHBondContact O-N 3.43Å |
| 331 | A | 90 | Very high | 88 | Confident | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -54.5 | -51.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I57 F62 M192 A327 P328 S334 T335 | I57-A331 HydrophobicContact CG2-CB 4.47Å; I57-A331 WeakPolarHBondContact O-CB 3.27Å; F62-A331 HydrophobicContact CB-CB 4.39Å; F62-A331 HydrophobicContact CD2-CB 3.64Å; F62-A331 HydrophobicContact CE2-CB 4.16Å; F62-A331 HydrophobicContact CG-CB 4.07Å; M192-A331 HydrophobicContact CE-CB 3.66Å; M192-A331 HydrophobicContact SD-CB 4.13Å; A327-A331 PolarHBondContact O-N 3.36Å; A327-A331 VanDerWaalsContact O-N 3.13Å; P328-A331 WeakPolarHBondContact O-CB 3.25Å; P328-A331 PolarHBondContact O-N 2.94Å; A331-S334 PolarHBondContact O-N 3.45Å; A331-T335 PolarHBondContact O-N 2.85Å; A331-T335 PolarHBondContact O-OG1 2.83Å |
| 332 | I | 91 | Very high | 88 | Confident | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -66.4 | -45.1 | -176.8 | -62.1 | -179.8 | 0 | 0 | 0 | 111.8 | A59 I63 Q142 L149 F165 P328 M329 A330 T335 I336 | A59-I332 HydrophobicContact CB-CD1 4Å; A59-I332 HydrophobicContact CB-CG1 3.8Å; I63-I332 HydrophobicContact CD1-CD1 3.77Å; Q142-I332 HydrophobicContact CB-CG2 3.8Å; Q142-I332 WeakPolarHBondContact O-CG2 3.45Å; L149-I332 HydrophobicContact CD1-CD1 3.59Å; F165-I332 HydrophobicContact CE1-CG2 3.66Å; F165-I332 HydrophobicContact CZ-CB 4.09Å; F165-I332 HydrophobicContact CZ-CG2 3.42Å; F165-I332 VanDerWaalsContact CZ-CG2 3.42Å; P328-I332 VanDerWaalsContact O-CG1 3.24Å; P328-I332 WeakPolarHBondContact O-CG1 3.22Å; P328-I332 PolarHBondContact O-N 2.9Å; M329-I332 PolarHBondContact O-N 3.04Å; A330-I332 VanDerWaalsContact C-N 3.34Å; A330-I332 PolarHBondContact O-N 3.37Å; I332-T335 PolarHBondContact O-N 3.2Å; I332-I336 HydrophobicContact CG2-CD1 3.78Å; I332-I336 WeakPolarHBondContact O-CG1 3.45Å; I332-I336 PolarHBondContact O-N 2.81Å; I332-I336 VanDerWaalsContact O-N 3.08Å |
| 333 | M | 89 | Confident | 88.2 | Confident | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -64.8 | -41.1 | -179.1 | -72.3 | 176.6 | 76.9 | 0 | 0 | 111.7 | Y12 L13 V16 F165 I169 Y172 M329 A330 N337 | Y12-M333 HydrophobicContact CE1-SD 3.96Å; L13-M333 HydrophobicContact CD2-CE 3.74Å; L13-M333 HydrophobicContact CD2-SD 3.91Å; V16-M333 HydrophobicContact CG1-CE 3.86Å; F165-M333 HydrophobicContact CE2-CG 4.09Å; F165-M333 HydrophobicContact CZ-CG 4.15Å; I169-M333 HydrophobicContact CD1-CG 3.98Å; I169-M333 HydrophobicContact CG1-CG 4.23Å; Y172-M333 HydrophobicContact CD1-CE 4.21Å; Y172-M333 HydrophobicContact CE1-CE 3.53Å; Y172-M333 PolarHBondContact OH-O 3.01Å; M329-M333 HydrophobicContact CE-SD 4.46Å; M329-M333 VanDerWaalsContact O-CB 3.29Å; M329-M333 WeakPolarHBondContact O-CB 3.41Å; M329-M333 WeakPolarHBondContact O-CG 3.16Å; M329-M333 PolarHBondContact O-N 3.42Å; A330-M333 PolarHBondContact O-N 3.11Å; M333-N337 VanDerWaalsContact O-CB 3.24Å; M333-N337 WeakPolarHBondContact O-CB 2.92Å; M333-N337 PolarHBondContact O-N 3.27Å |
| 334 | S | 88.5 | Confident | 88.3 | Confident | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -62.3 | -46.9 | 178.4 | -169.8 | 0 | 0 | 0 | 0 | 111.5 | A54 D185 Q188 A330 A331 N337 A338 | A54-S334 WeakPolarHBondContact CB-OG 3.18Å; D185-S334 WeakPolarHBondContact OD1-CB 3.36Å; D185-S334 PolarHBondContact OD1-OG 3.39Å; Q188-S334 VanDerWaalsContact OE1-CB 3.3Å; A330-S334 WeakPolarHBondContact O-CB 3.33Å; A330-S334 PolarHBondContact O-N 3.43Å; A331-S334 PolarHBondContact O-N 3.45Å; S334-N337 PolarHBondContact O-N 3.15Å; S334-A338 WeakPolarHBondContact O-CB 3.34Å; S334-A338 PolarHBondContact O-N 2.92Å; S334-A338 VanDerWaalsContact O-N 3.07Å |
| 335 | T | 89.6 | Confident | 88.3 | Confident | 1 Ų | 1 | 2.4 Ų | 2.4 | 1% | 0.006 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -62.9 | -47.4 | 178.6 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | T55 S58 Q142 A331 I332 N337 A338 Q339 | T55-T335 PolarHBondContact O-OG1 3.35Å; S58-T335 WeakPolarHBondContact CB-OG1 3.43Å; Q142-T335 HydrophobicContact CG-CG2 4Å; A331-T335 PolarHBondContact O-N 2.85Å; A331-T335 PolarHBondContact O-OG1 2.83Å; I332-T335 PolarHBondContact O-N 3.2Å; T335-N337 PolarHBondContact O-N 3.48Å; T335-A338 PolarHBondContact O-N 2.88Å; T335-Q339 HydrophobicContact CG2-CG 4.45Å; T335-Q339 WeakPolarHBondContact O-CB 3.4Å; T335-Q339 VanDerWaalsContact O-CG 3.32Å; T335-Q339 WeakPolarHBondContact O-CG 3.43Å; T335-Q339 PolarHBondContact O-N 3.31Å |
| 336 | I | 89 | Confident | 88.5 | Confident | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -61.7 | -45.5 | 179.3 | -67.2 | 164.4 | 0 | 0 | 0 | 110.8 | Q142 F143 F165 I169 I332 A338 Q339 L340 | Q142-I336 HydrophobicContact CB-CD1 3.54Å; Q142-I336 HydrophobicContact CB-CG1 3.32Å; Q142-I336 HydrophobicContact CG-CG1 3.88Å; F143-I336 HydrophobicContact CD2-CD1 3.55Å; F143-I336 HydrophobicContact CD2-CG1 4.16Å; F143-I336 HydrophobicContact CE2-CD1 3.66Å; F143-I336 HydrophobicContact CE2-CG1 4.13Å; F143-I336 HydrophobicContact CE2-CG2 3.81Å; F165-I336 HydrophobicContact CE1-CD1 3.96Å; I169-I336 HydrophobicContact CD1-CD1 3.71Å; I169-I336 HydrophobicContact CG2-CB 4.09Å; I169-I336 HydrophobicContact CG2-CG2 3.43Å; I169-I336 VanDerWaalsContact CG2-CG2 3.43Å; I332-I336 HydrophobicContact CG2-CD1 3.78Å; I332-I336 WeakPolarHBondContact O-CG1 3.45Å; I332-I336 PolarHBondContact O-N 2.81Å; I332-I336 VanDerWaalsContact O-N 3.08Å; I336-A338 PolarHBondContact O-N 2.9Å; I336-Q339 PolarHBondContact O-N 3.47Å; I336-L340 HydrophobicContact CG2-CD1 3.53Å; I336-L340 HydrophobicContact CG2-CG 3.91Å; I336-L340 WeakPolarHBondContact O-CB 3.01Å; I336-L340 WeakPolarHBondContact O-CG 3.47Å; I336-L340 PolarHBondContact O-N 3.21Å |
| 337 | N | 85.4 | Confident | 88.8 | Confident | 2 Ų | 2 | 4.4 Ų | 4.4 | 1% | 0.011 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -60.3 | -47.1 | -178.2 | -172.6 | 18.1 | 0 | 0 | 0 | 111.2 | Y172 T173 S181 M333 S334 T335 Q339 L341 | Y172-N337 WeakPolarHBondContact OH-CB 3.43Å; T173-N337 VanDerWaalsContact CG2-OD1 3.24Å; T173-N337 WeakPolarHBondContact CG2-OD1 3.48Å; S181-N337 VanDerWaalsContact CA-ND2 3.32Å; S181-N337 WeakPolarHBondContact CA-ND2 3.36Å; S181-N337 WeakPolarHBondContact CB-ND2 3.39Å; S181-N337 PolarHBondContact OG-ND2 3.02Å; M333-N337 VanDerWaalsContact O-CB 3.24Å; M333-N337 WeakPolarHBondContact O-CB 2.92Å; M333-N337 PolarHBondContact O-N 3.27Å; S334-N337 PolarHBondContact O-N 3.15Å; T335-N337 PolarHBondContact O-N 3.48Å; N337-Q339 PolarHBondContact O-N 2.92Å; N337-L341 WeakPolarHBondContact O-CB 3.4Å; N337-L341 PolarHBondContact O-N 3.07Å |
| 338 | A | 84.6 | Confident | 88.8 | Confident | 8 Ų | 8 | 4.4 Ų | 4.4 | 7% | 0.066 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -59.9 | -45 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | T55 S334 T335 I336 Q342 | T55-A338 HydrophobicContact CG2-CB 3.73Å; S334-A338 WeakPolarHBondContact O-CB 3.34Å; S334-A338 PolarHBondContact O-N 2.92Å; S334-A338 VanDerWaalsContact O-N 3.07Å; T335-A338 PolarHBondContact O-N 2.88Å; I336-A338 PolarHBondContact O-N 2.9Å; A338-Q342 WeakPolarHBondContact O-CB 3.25Å; A338-Q342 PolarHBondContact O-N 2.93Å |
| 339 | Q | 90.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -69.7 | -44.2 | -178.8 | -71.7 | 174.2 | -19.8 | 0 | 0 | 112.6 | F135 M139 T335 I336 N337 L341 Q342 S343 | F135-Q339 HydrophobicContact CD1-CG 4.43Å; F135-Q339 HydrophobicContact CD2-CB 4.18Å; F135-Q339 HydrophobicContact CD2-CG 4.36Å; F135-Q339 HydrophobicContact CE1-CG 4.46Å; F135-Q339 HydrophobicContact CE2-CB 4.5Å; F135-Q339 HydrophobicContact CE2-CG 4.41Å; F135-Q339 HydrophobicContact CG-CB 4.42Å; F135-Q339 HydrophobicContact CG-CG 4.38Å; F135-Q339 HydrophobicContact CZ-CG 4.45Å; M139-Q339 HydrophobicContact CG-CB 3.61Å; M139-Q339 HydrophobicContact CG-CG 4.37Å; M139-Q339 HydrophobicContact SD-CB 3.7Å; T335-Q339 HydrophobicContact CG2-CG 4.45Å; T335-Q339 WeakPolarHBondContact O-CB 3.4Å; T335-Q339 VanDerWaalsContact O-CG 3.32Å; T335-Q339 WeakPolarHBondContact O-CG 3.43Å; T335-Q339 PolarHBondContact O-N 3.31Å; I336-Q339 PolarHBondContact O-N 3.47Å; N337-Q339 PolarHBondContact O-N 2.92Å; Q339-L341 PolarHBondContact O-N 2.86Å; Q339-Q342 PolarHBondContact O-N 3.45Å; Q339-S343 WeakPolarHBondContact O-CB 3.4Å; Q339-S343 PolarHBondContact O-N 3.45Å; Q339-S343 PolarHBondContact O-OG 2.9Å; Q339-S343 VanDerWaalsContact O-OG 3.1Å |
| 340 | L | 88.7 | Confident | 88.2 | Confident | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -62.2 | -44.1 | 176.2 | -80.3 | 177.1 | 0 | 0 | 0 | 111.8 | M139 I169 T173 I336 Q342 S343 S344 T374 L377 L381 | M139-L340 HydrophobicContact CE-CD2 4.25Å; M139-L340 HydrophobicContact SD-CB 4.44Å; M139-L340 HydrophobicContact SD-CD2 3.65Å; M139-L340 HydrophobicContact SD-CG 3.68Å; I169-L340 HydrophobicContact CG2-CD1 4.45Å; T173-L340 HydrophobicContact CG2-CB 3.76Å; T173-L340 HydrophobicContact CG2-CD1 3.96Å; I336-L340 HydrophobicContact CG2-CD1 3.53Å; I336-L340 HydrophobicContact CG2-CG 3.91Å; I336-L340 WeakPolarHBondContact O-CB 3.01Å; I336-L340 WeakPolarHBondContact O-CG 3.47Å; I336-L340 PolarHBondContact O-N 3.21Å; L340-Q342 VanDerWaalsContact C-N 3.34Å; L340-S343 PolarHBondContact O-N 3.39Å; L340-S344 WeakPolarHBondContact O-CB 3.35Å; L340-S344 PolarHBondContact O-N 3.48Å; L340-T374 HydrophobicContact CB-CG2 4.36Å; L340-T374 HydrophobicContact CD1-CG2 4.13Å; L340-L377 HydrophobicContact CD2-CB 3.81Å; L340-L377 HydrophobicContact CD2-CD1 4.42Å; L340-L381 HydrophobicContact CD2-CD1 4.17Å |
| 341 | L | 82.5 | Confident | 88.1 | Confident | 5 Ų | 5 | 8.4 Ų | 8.4 | 3% | 0.026 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -65.2 | -41.5 | 179 | -176.6 | 63.6 | 0 | 0 | 0 | 111 | Y36 F37 F178 N337 Q339 S344 A345 | Y36-L341 HydrophobicContact CD1-CD1 3.85Å; Y36-L341 HydrophobicContact CE1-CD1 3.28Å; F37-L341 HydrophobicContact CD1-CD1 3.76Å; F37-L341 HydrophobicContact CD1-CG 4.04Å; F37-L341 HydrophobicContact CE1-CD1 3.76Å; F37-L341 HydrophobicContact CE1-CG 4.36Å; F178-L341 VanDerWaalsContact CA-CD2 3.47Å; F178-L341 HydrophobicContact CB-CD2 3.68Å; F178-L341 HydrophobicContact CD2-CD2 3.72Å; F178-L341 HydrophobicContact CG-CD2 4.2Å; N337-L341 WeakPolarHBondContact O-CB 3.4Å; N337-L341 PolarHBondContact O-N 3.07Å; Q339-L341 PolarHBondContact O-N 2.86Å; L341-S344 PolarHBondContact O-N 2.79Å; L341-A345 WeakPolarHBondContact O-CB 3.3Å; L341-A345 PolarHBondContact O-N 2.93Å |
| 342 | Q | 86.8 | Confident | 88.1 | Confident | 22 Ų | 22 | 10.8 Ų | 10.8 | 10% | 0.103 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -70.5 | -39.9 | 177.4 | -174.2 | 170.4 | -28.6 | 0 | 0 | 112.4 | L131 F135 P254 A338 Q339 L340 S344 A345 T346 | L131-Q342 HydrophobicContact CD2-CG 4.31Å; F135-Q342 HydrophobicContact CE2-CB 3.95Å; F135-Q342 HydrophobicContact CE2-CG 3.83Å; F135-Q342 HydrophobicContact CZ-CG 4.48Å; P254-Q342 VanDerWaalsContact CB-NE2 3.35Å; A338-Q342 WeakPolarHBondContact O-CB 3.25Å; A338-Q342 PolarHBondContact O-N 2.93Å; Q339-Q342 PolarHBondContact O-N 3.45Å; L340-Q342 VanDerWaalsContact C-N 3.34Å; Q342-S344 VanDerWaalsContact C-N 3.31Å; Q342-S344 PolarHBondContact O-N 2.87Å; Q342-A345 WeakPolarHBondContact O-CB 3.02Å; Q342-A345 PolarHBondContact O-N 3.17Å; Q342-A345 VanDerWaalsContact O-N 3.15Å; Q342-T346 PolarHBondContact O-N 3.22Å; Q342-T346 PolarHBondContact O-OG1 3.05Å |
| 343 | S | 91.2 | Very high | 87.7 | Confident | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.007 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -59.6 | -42.9 | 170.7 | -68.7 | 0 | 0 | 0 | 0 | 111.5 | F135 Q339 L340 A345 T346 I347 | F135-S343 WeakPolarHBondContact CD2-OG 3.45Å; Q339-S343 WeakPolarHBondContact O-CB 3.4Å; Q339-S343 PolarHBondContact O-N 3.45Å; Q339-S343 PolarHBondContact O-OG 2.9Å; Q339-S343 VanDerWaalsContact O-OG 3.1Å; L340-S343 PolarHBondContact O-N 3.39Å; S343-A345 VanDerWaalsContact C-N 3.33Å; S343-A345 PolarHBondContact O-N 3.27Å; S343-T346 PolarHBondContact O-N 3.5Å; S343-I347 WeakPolarHBondContact O-CG1 3.49Å; S343-I347 PolarHBondContact O-N 3.1Å |
| 344 | S | 89.1 | Confident | 87.2 | Confident | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.4 | -40.8 | 174.3 | 179.3 | 0 | 0 | 0 | 0 | 111.5 | L340 L341 Q342 T346 I348 S370 | L340-S344 WeakPolarHBondContact O-CB 3.35Å; L340-S344 PolarHBondContact O-N 3.48Å; L341-S344 PolarHBondContact O-N 2.79Å; Q342-S344 VanDerWaalsContact C-N 3.31Å; Q342-S344 PolarHBondContact O-N 2.87Å; S344-T346 VanDerWaalsContact C-N 3.35Å; S344-I348 WeakPolarHBondContact O-CB 3.22Å; S344-I348 VanDerWaalsContact O-CG1 3.28Å; S344-I348 WeakPolarHBondContact O-CG1 3.37Å; S344-I348 PolarHBondContact O-N 3.15Å; S344-S370 WeakPolarHBondContact OG-CA 3.43Å; S344-S370 WeakPolarHBondContact OG-CB 3.5Å; S344-S370 PolarHBondContact OG-OG 3.21Å |
| 345 | A | 85.8 | Confident | 86.9 | Confident | 5 Ų | 5 | 18.7 Ų | 18.7 | 4% | 0.041 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F37 T109 L341 Q342 S343 I348 K349 | F37-A345 HydrophobicContact CD1-CB 3.5Å; F37-A345 VanDerWaalsContact CD1-CB 3.5Å; F37-A345 HydrophobicContact CD2-CB 4.43Å; F37-A345 HydrophobicContact CE1-CB 3.46Å; F37-A345 VanDerWaalsContact CE1-CB 3.46Å; F37-A345 HydrophobicContact CE2-CB 4.4Å; F37-A345 HydrophobicContact CG-CB 4.01Å; F37-A345 HydrophobicContact CZ-CB 3.95Å; T109-A345 HydrophobicContact CG2-CB 3.94Å; L341-A345 WeakPolarHBondContact O-CB 3.3Å; L341-A345 PolarHBondContact O-N 2.93Å; Q342-A345 WeakPolarHBondContact O-CB 3.02Å; Q342-A345 PolarHBondContact O-N 3.17Å; Q342-A345 VanDerWaalsContact O-N 3.15Å; S343-A345 VanDerWaalsContact C-N 3.33Å; S343-A345 PolarHBondContact O-N 3.27Å; A345-I348 PolarHBondContact O-N 3.35Å; A345-K349 WeakPolarHBondContact O-CA 3.42Å; A345-K349 WeakPolarHBondContact O-CB 3.4Å; A345-K349 PolarHBondContact O-N 2.89Å |
| 346 | T | 90.1 | Very high | 86.6 | Confident | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.012 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -66.7 | -42.9 | -179.6 | -68 | 0 | 0 | 0 | 0 | 112.7 | L131 L132 Q342 S343 S344 I348 D350 L351 | L131-T346 HydrophobicContact CD2-CG2 4.14Å; L131-T346 VanDerWaalsContact CD2-OG1 3.23Å; L131-T346 WeakPolarHBondContact CD2-OG1 3.3Å; L132-T346 HydrophobicContact CD1-CG2 4.37Å; L132-T346 HydrophobicContact CG-CG2 4.26Å; Q342-T346 PolarHBondContact O-N 3.22Å; Q342-T346 PolarHBondContact O-OG1 3.05Å; S343-T346 PolarHBondContact O-N 3.5Å; S344-T346 VanDerWaalsContact C-N 3.35Å; T346-I348 PolarHBondContact O-N 2.77Å; T346-D350 VanDerWaalsContact CA-OD2 3.24Å; T346-D350 WeakPolarHBondContact CA-OD2 3.27Å; T346-D350 WeakPolarHBondContact CB-OD2 3.35Å; T346-D350 HydrophobicContact CG2-CB 4.29Å; T346-D350 WeakPolarHBondContact O-CA 3.48Å; T346-D350 VanDerWaalsContact O-CB 3.31Å; T346-D350 WeakPolarHBondContact O-CB 3.49Å; T346-D350 PolarHBondContact O-N 3.24Å; T346-D350 PolarHBondContact OG1-OD2 3.46Å; T346-D350 VanDerWaalsContact OG1-OD2 3.09Å; T346-L351 PolarHBondContact O-N 3.44Å; T346-L351 VanDerWaalsContact O-N 3.11Å |
| 347 | I | 92.2 | Very high | 86.1 | Confident | 45 Ų | 45 | 29 Ų | 29 | 23% | 0.231 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -66 | -41.9 | 177.4 | -66.2 | 164.6 | 0 | 0 | 0 | 111.1 | L132 S343 Y352 I373 L377 | L132-I347 HydrophobicContact CD1-CD1 4.32Å; L132-I347 HydrophobicContact CD1-CG1 3.74Å; L132-I347 HydrophobicContact CD2-CD1 3.95Å; L132-I347 HydrophobicContact CD2-CG1 3.9Å; L132-I347 HydrophobicContact CG-CG1 4.49Å; S343-I347 WeakPolarHBondContact O-CG1 3.49Å; S343-I347 PolarHBondContact O-N 3.1Å; I347-Y352 WeakPolarHBondContact O-CB 3.48Å; I347-Y352 PolarHBondContact O-N 2.98Å; I347-I373 HydrophobicContact CB-CD1 4.22Å; I347-I373 HydrophobicContact CB-CG2 4.5Å; I347-I373 HydrophobicContact CD1-CG2 3.63Å; I347-I373 HydrophobicContact CG2-CD1 3.62Å; I347-I373 HydrophobicContact CG2-CG1 4.36Å; I347-L377 HydrophobicContact CD1-CD1 4.31Å |
| 348 | I | 89.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -78.2 | -53.4 | -176.2 | -66.3 | 173.8 | 0 | 0 | 0 | 111.5 | S344 A345 T346 Y352 L353 L366 M369 S370 I373 | S344-I348 WeakPolarHBondContact O-CB 3.22Å; S344-I348 VanDerWaalsContact O-CG1 3.28Å; S344-I348 WeakPolarHBondContact O-CG1 3.37Å; S344-I348 PolarHBondContact O-N 3.15Å; A345-I348 PolarHBondContact O-N 3.35Å; T346-I348 PolarHBondContact O-N 2.77Å; I348-Y352 WeakPolarHBondContact O-CB 3.48Å; I348-L353 HydrophobicContact CG2-CD1 4.16Å; I348-L353 WeakPolarHBondContact O-CB 3.28Å; I348-L353 VanDerWaalsContact O-CG 3.31Å; I348-L353 WeakPolarHBondContact O-CG 3.5Å; I348-L353 PolarHBondContact O-N 3.37Å; I348-L366 HydrophobicContact CG2-CD2 3.67Å; I348-M369 HydrophobicContact CD1-CB 4.22Å; I348-S370 VanDerWaalsContact CD1-CA 3.48Å; I348-I373 HydrophobicContact CD1-CD1 4.02Å; I348-I373 HydrophobicContact CG1-CD1 3.61Å |
| 349 | K | 83.6 | Confident | 85.7 | Confident | 30 Ų | 30 | 35.2 Ų | 35.2 | 13% | 0.13 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -81 | -51.5 | -172.7 | -165.1 | -179.6 | -177.6 | -178.5 | 0 | 111.9 | V108 T109 D112 A345 | V108-K349 HydrophobicContact CB-CD 3.88Å; V108-K349 VanDerWaalsContact CB-NZ 3.27Å; V108-K349 HydrophobicContact CG1-CD 4.39Å; V108-K349 HydrophobicContact CG2-CD 4.41Å; T109-K349 HydrophobicContact CG2-CB 4.23Å; T109-K349 HydrophobicContact CG2-CD 3.99Å; D112-K349 VanDerWaalsContact CG-NZ 3.28Å; D112-K349 WeakPolarHBondContact OD1-CE 3.39Å; D112-K349 IonicContact OD1-NZ 3.71Å; D112-K349 PolarHBondContact OD1-NZ 3.05Å; D112-K349 VanDerWaalsContact OD2-CE 3.27Å; D112-K349 WeakPolarHBondContact OD2-CE 3.21Å; D112-K349 IonicContact OD2-NZ 3.82Å; D112-K349 PolarHBondContact OD2-NZ 2.79Å; A345-K349 WeakPolarHBondContact O-CA 3.42Å; A345-K349 WeakPolarHBondContact O-CB 3.4Å; A345-K349 PolarHBondContact O-N 2.89Å |
| 350 | D | 85.5 | Confident | 85.1 | Confident | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.027 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -83.7 | -28.9 | -167.6 | -48.9 | -29 | 0 | 0 | 0 | 112.5 | T109 N111 V124 T346 N354 | T109-D350 WeakPolarHBondContact CB-OD1 3.39Å; T109-D350 WeakPolarHBondContact CG2-OD1 3.41Å; T109-D350 PolarHBondContact OG1-OD1 3.28Å; N111-D350 HydrophobicContact CB-CB 4.08Å; N111-D350 VanDerWaalsContact CB-CG 3.47Å; N111-D350 WeakPolarHBondContact CB-OD2 3.23Å; N111-D350 PolarHBondContact ND2-OD2 3.08Å; V124-D350 HydrophobicContact CG1-CB 4.25Å; T346-D350 VanDerWaalsContact CA-OD2 3.24Å; T346-D350 WeakPolarHBondContact CA-OD2 3.27Å; T346-D350 WeakPolarHBondContact CB-OD2 3.35Å; T346-D350 HydrophobicContact CG2-CB 4.29Å; T346-D350 WeakPolarHBondContact O-CA 3.48Å; T346-D350 VanDerWaalsContact O-CB 3.31Å; T346-D350 WeakPolarHBondContact O-CB 3.49Å; T346-D350 PolarHBondContact O-N 3.24Å; T346-D350 PolarHBondContact OG1-OD2 3.46Å; T346-D350 VanDerWaalsContact OG1-OD2 3.09Å; D350-N354 WeakPolarHBondContact O-CB 3.39Å; D350-N354 PolarHBondContact O-ND2 2.93Å; D350-N354 VanDerWaalsContact O-ND2 3.12Å |
| 351 | L | 87.7 | Confident | 84.6 | Confident | 50 Ų | 50 | 47.8 Ų | 47.8 | 26% | 0.262 | 24% | 0.235 | S | C | . | . | I | π-helix | trans | -102.7 | -62.3 | 178.6 | -59.1 | -179.6 | 0 | 0 | 0 | 112.2 | L132 T346 I355 | L132-L351 HydrophobicContact CD1-CD1 4.1Å; T346-L351 PolarHBondContact O-N 3.44Å; T346-L351 VanDerWaalsContact O-N 3.11Å; L351-I355 WeakPolarHBondContact O-CG1 3.38Å; L351-I355 PolarHBondContact O-N 3.49Å |
| 352 | Y | 88.7 | Confident | 84.7 | Confident | 50 Ų | 50 | 50.5 Ų | 50.5 | 20% | 0.196 | 25% | 0.25 | C | C | . | . | I | π-helix | trans | -67.7 | -52 | -172.7 | 174.6 | -104.8 | 0 | 0 | 0 | 113.3 | I347 I348 N354 I355 R356 Q359 M369 | I347-Y352 WeakPolarHBondContact O-CB 3.48Å; I347-Y352 PolarHBondContact O-N 2.98Å; I348-Y352 WeakPolarHBondContact O-CB 3.48Å; Y352-N354 VanDerWaalsContact C-N 3.27Å; Y352-N354 PolarHBondContact O-N 2.94Å; Y352-I355 PolarHBondContact O-N 3.3Å; Y352-I355 VanDerWaalsContact O-N 3.15Å; Y352-R356 PolarHBondContact O-N 3.25Å; Y352-Q359 HydrophobicContact CE1-CB 4.09Å; Y352-Q359 HydrophobicContact CE1-CG 4.39Å; Y352-M369 HydrophobicContact CD1-CE 3.73Å; Y352-M369 HydrophobicContact CD1-SD 4.34Å; Y352-M369 HydrophobicContact CD2-CE 4.05Å; Y352-M369 HydrophobicContact CE1-CE 3.85Å; Y352-M369 HydrophobicContact CE1-SD 3.93Å; Y352-M369 HydrophobicContact CE2-CE 4.16Å; Y352-M369 HydrophobicContact CG-CE 3.82Å |
| 353 | L | 84.5 | Confident | 84.5 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.4 | -22.6 | -179.5 | -73.4 | 170.3 | 0 | 0 | 0 | 112.8 | L33 I348 I355 R356 P357 Q359 M360 L366 | L33-L353 HydrophobicContact CD1-CD1 4.19Å; I348-L353 HydrophobicContact CG2-CD1 4.16Å; I348-L353 WeakPolarHBondContact O-CB 3.28Å; I348-L353 VanDerWaalsContact O-CG 3.31Å; I348-L353 WeakPolarHBondContact O-CG 3.5Å; I348-L353 PolarHBondContact O-N 3.37Å; L353-I355 VanDerWaalsContact C-N 3.32Å; L353-R356 CarbonylContact O-C 3.53Å; L353-R356 VanDerWaalsContact O-C 3.28Å; L353-P357 VanDerWaalsContact O-CA 3.27Å; L353-P357 WeakPolarHBondContact O-CA 3.17Å; L353-P357 VanDerWaalsContact O-N 3.07Å; L353-Q359 HydrophobicContact CD2-CB 4.08Å; L353-M360 HydrophobicContact CB-CE 4.11Å; L353-M360 HydrophobicContact CD1-CE 3.92Å; L353-M360 HydrophobicContact CD1-SD 3.7Å; L353-M360 HydrophobicContact CD2-CB 4.42Å; L353-M360 HydrophobicContact CD2-CE 4.34Å; L353-M360 HydrophobicContact CD2-SD 4.43Å; L353-M360 HydrophobicContact CG-CE 4.35Å; L353-L366 HydrophobicContact CD1-CD2 4.21Å; L353-L366 HydrophobicContact CD2-CD2 4.23Å; L353-L366 HydrophobicContact CG-CD2 4.38Å |
| 354 | N | 78.1 | Confident | 84.1 | Confident | 44 Ų | 44 | 56.4 Ų | 56.4 | 24% | 0.235 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.6 | -34.7 | 170.3 | -171.1 | 12.2 | 0 | 0 | 0 | 111.9 | W125 D350 Y352 | W125-N354 PolarHBondContact NE1-ND2 3.48Å; W125-N354 VanDerWaalsContact NE1-ND2 3.17Å; D350-N354 WeakPolarHBondContact O-CB 3.39Å; D350-N354 PolarHBondContact O-ND2 2.93Å; D350-N354 VanDerWaalsContact O-ND2 3.12Å; Y352-N354 VanDerWaalsContact C-N 3.27Å; Y352-N354 PolarHBondContact O-N 2.94Å |
| 355 | I | 80.5 | Confident | 83.9 | Confident | 117 Ų | 117 | 62.1 Ų | 62.1 | 60% | 0.6 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -82.7 | -35.5 | 174.1 | -61.5 | 167.5 | 0 | 0 | 0 | 111.4 | L351 Y352 L353 | L351-I355 WeakPolarHBondContact O-CG1 3.38Å; L351-I355 PolarHBondContact O-N 3.49Å; Y352-I355 PolarHBondContact O-N 3.3Å; Y352-I355 VanDerWaalsContact O-N 3.15Å; L353-I355 VanDerWaalsContact C-N 3.32Å |
| 356 | R | 83.4 | Confident | 83.9 | Confident | 133 Ų | 133 | 62 Ų | 62 | 50% | 0.502 | 30% | 0.303 | S | S | . | . | trans | -127.6 | 73.7 | -176.8 | -67.9 | -161.1 | -177.2 | -161.6 | 0.9 | 112.6 | Y352 L353 D358 Q359 | Y352-R356 PolarHBondContact O-N 3.25Å; L353-R356 CarbonylContact O-C 3.53Å; L353-R356 VanDerWaalsContact O-C 3.28Å; R356-D358 VanDerWaalsContact C-OD1 3.28Å; R356-D358 WeakPolarHBondContact CA-OD1 3.42Å; R356-D358 WeakPolarHBondContact CB-OD1 3.24Å; R356-D358 PolarHBondContact O-N 3.4Å; R356-Q359 HydrophobicContact CB-CG 4.17Å; R356-Q359 PolarHBondContact O-N 2.92Å | ||
| 357 | P | 78.7 | Confident | 83.6 | Confident | 86 Ų | 86 | 65.5 Ų | 65.5 | 56% | 0.558 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -65.7 | -23.8 | -178.8 | 23.9 | -32.3 | 0 | 0 | 0 | 113.1 | L353 Q359 M360 | L353-P357 VanDerWaalsContact O-CA 3.27Å; L353-P357 WeakPolarHBondContact O-CA 3.17Å; L353-P357 VanDerWaalsContact O-N 3.07Å; P357-Q359 PolarHBondContact O-N 2.9Å; P357-Q359 VanDerWaalsContact O-N 3.15Å; P357-M360 WeakPolarHBondContact O-CB 3.34Å; P357-M360 PolarHBondContact O-N 3.41Å |
| 358 | D | 80.6 | Confident | 83.3 | Confident | 110 Ų | 110 | 72.1 Ų | 72.1 | 59% | 0.588 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -58.3 | -24.7 | 175.3 | 64.2 | -62.8 | 0 | 0 | 0 | 113.4 | R356 M360 | R356-D358 VanDerWaalsContact C-OD1 3.28Å; R356-D358 WeakPolarHBondContact CA-OD1 3.42Å; R356-D358 WeakPolarHBondContact CB-OD1 3.24Å; R356-D358 PolarHBondContact O-N 3.4Å; D358-M360 VanDerWaalsContact C-N 3.33Å; D358-M360 PolarHBondContact O-N 3.06Å |
| 359 | Q | 82 | Confident | 83.3 | Confident | 29 Ų | 29 | 74.2 Ų | 74.2 | 14% | 0.136 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -85.1 | -1.7 | -177.9 | -62.9 | -63.7 | -58.9 | 0 | 0 | 113.9 | Y352 L353 R356 P357 Q361 N362 | Y352-Q359 HydrophobicContact CE1-CB 4.09Å; Y352-Q359 HydrophobicContact CE1-CG 4.39Å; L353-Q359 HydrophobicContact CD2-CB 4.08Å; R356-Q359 HydrophobicContact CB-CG 4.17Å; R356-Q359 PolarHBondContact O-N 2.92Å; P357-Q359 PolarHBondContact O-N 2.9Å; P357-Q359 VanDerWaalsContact O-N 3.15Å; Q359-Q361 PolarHBondContact O-N 3.48Å; Q359-Q361 VanDerWaalsContact O-N 3.13Å; Q359-N362 PolarHBondContact O-N 3.12Å; Q359-N362 PolarHBondContact OE1-ND2 3.32Å |
| 360 | M | 78 | Confident | 83.5 | Confident | 81 Ų | 81 | 72.9 Ų | 72.9 | 40% | 0.399 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -54.6 | -34.7 | -177.2 | -168.7 | 69 | 67.4 | 0 | 0 | 113.1 | L33 L353 P357 D358 | L33-M360 HydrophobicContact CD1-SD 3.37Å; L33-M360 WeakPolarHBondContact CD1-SD 3.26Å; L353-M360 HydrophobicContact CB-CE 4.11Å; L353-M360 HydrophobicContact CD1-CE 3.92Å; L353-M360 HydrophobicContact CD1-SD 3.7Å; L353-M360 HydrophobicContact CD2-CB 4.42Å; L353-M360 HydrophobicContact CD2-CE 4.34Å; L353-M360 HydrophobicContact CD2-SD 4.43Å; L353-M360 HydrophobicContact CG-CE 4.35Å; P357-M360 WeakPolarHBondContact O-CB 3.34Å; P357-M360 PolarHBondContact O-N 3.41Å; D358-M360 VanDerWaalsContact C-N 3.33Å; D358-M360 PolarHBondContact O-N 3.06Å |
| 361 | Q | 77.1 | Confident | 83.6 | Confident | 183 Ų | 183 | 73.6 Ų | 73.6 | 86% | 0.855 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -82.7 | -11.3 | -178.8 | -61.3 | -170.6 | -2.6 | 0 | 0 | 113.8 | Q359 E363 | Q359-Q361 PolarHBondContact O-N 3.48Å; Q359-Q361 VanDerWaalsContact O-N 3.13Å; Q361-E363 VanDerWaalsContact C-N 3.31Å; Q361-E363 PolarHBondContact O-N 3.46Å |
| 362 | N | 84.6 | Confident | 83.8 | Confident | 63 Ų | 63 | 75.3 Ų | 75.3 | 34% | 0.337 | 36% | 0.364 | S | S | . | . | trans | -85 | 67.7 | -175.6 | -166 | -13.6 | 0 | 0 | 0 | 112.3 | Q359 T364 R365 L366 | Q359-N362 PolarHBondContact O-N 3.12Å; Q359-N362 PolarHBondContact OE1-ND2 3.32Å; N362-T364 VanDerWaalsContact C-N 3.26Å; N362-T364 PolarHBondContact O-N 2.84Å; N362-T364 VanDerWaalsContact O-N 3.17Å; N362-R365 HydrophobicContact CB-CB 4.32Å; N362-R365 PolarHBondContact O-N 3.36Å; N362-R365 VanDerWaalsContact O-N 3.13Å; N362-R365 WeakPolarHBondContact OD1-CB 3.42Å; N362-R365 PolarHBondContact OD1-N 3.22Å; N362-L366 WeakPolarHBondContact O-CG 3.37Å; N362-L366 PolarHBondContact O-N 3.39Å; N362-L366 VanDerWaalsContact O-N 3.1Å | ||
| 363 | E | 82.4 | Confident | 83.9 | Confident | 64 Ų | 64 | 74.1 Ų | 74.1 | 30% | 0.299 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -55.8 | -37.5 | -173.9 | -65.5 | -156.7 | 160.3 | 0 | 0 | 114.1 | F32 Q361 R365 L366 K367 | F32-E363 HydrophobicContact CB-CB 4.27Å; F32-E363 HydrophobicContact CB-CG 3.93Å; F32-E363 WeakPolarHBondContact CB-OE1 3.29Å; F32-E363 PolarHBondContact N-OE1 3.21Å; Q361-E363 VanDerWaalsContact C-N 3.31Å; Q361-E363 PolarHBondContact O-N 3.46Å; E363-R365 VanDerWaalsContact C-N 3.33Å; E363-R365 PolarHBondContact O-N 3.22Å; E363-L366 PolarHBondContact O-N 3.48Å; E363-K367 WeakPolarHBondContact O-CB 3.28Å; E363-K367 WeakPolarHBondContact O-CD 3.32Å; E363-K367 VanDerWaalsContact O-CG 3.25Å; E363-K367 WeakPolarHBondContact O-CG 3.38Å; E363-K367 PolarHBondContact O-N 3Å; E363-K367 IonicContact OE2-NZ 3.49Å; E363-K367 PolarHBondContact OE2-NZ 3.32Å |
| 364 | T | 82.9 | Confident | 84.2 | Confident | 83 Ų | 83 | 73.9 Ų | 73.9 | 51% | 0.509 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | -178.2 | -55 | 0 | 0 | 0 | 0 | 111.2 | N362 R368 | N362-T364 VanDerWaalsContact C-N 3.26Å; N362-T364 PolarHBondContact O-N 2.84Å; N362-T364 VanDerWaalsContact O-N 3.17Å; T364-R368 WeakPolarHBondContact O-CG 3.31Å; T364-R368 PolarHBondContact O-N 3.19Å |
| 365 | R | 85.2 | Confident | 84.7 | Confident | 120 Ų | 120 | 75.2 Ų | 75.2 | 45% | 0.453 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.4 | -45.8 | 174.5 | 177.1 | 176.6 | -100.5 | 165.7 | -6.1 | 110.6 | N362 E363 K367 R368 M369 | N362-R365 HydrophobicContact CB-CB 4.32Å; N362-R365 PolarHBondContact O-N 3.36Å; N362-R365 VanDerWaalsContact O-N 3.13Å; N362-R365 WeakPolarHBondContact OD1-CB 3.42Å; N362-R365 PolarHBondContact OD1-N 3.22Å; E363-R365 VanDerWaalsContact C-N 3.33Å; E363-R365 PolarHBondContact O-N 3.22Å; R365-K367 VanDerWaalsContact C-N 3.33Å; R365-K367 PolarHBondContact O-N 3.27Å; R365-R368 PolarHBondContact O-N 3.2Å; R365-M369 HydrophobicContact CG-CG 4.2Å; R365-M369 HydrophobicContact CG-SD 3.73Å; R365-M369 WeakPolarHBondContact O-CB 3.18Å; R365-M369 VanDerWaalsContact O-CG 3.3Å; R365-M369 WeakPolarHBondContact O-CG 3.26Å; R365-M369 PolarHBondContact O-N 3.25Å |
| 366 | L | 86.1 | Confident | 85.3 | Confident | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60 | -41.8 | 179.4 | -62.6 | 176.2 | 0 | 0 | 0 | 112.1 | F32 I348 L353 N362 E363 M369 S370 | F32-L366 HydrophobicContact CD1-CB 4.08Å; F32-L366 HydrophobicContact CE1-CB 4.07Å; I348-L366 HydrophobicContact CG2-CD2 3.67Å; L353-L366 HydrophobicContact CD1-CD2 4.21Å; L353-L366 HydrophobicContact CD2-CD2 4.23Å; L353-L366 HydrophobicContact CG-CD2 4.38Å; N362-L366 WeakPolarHBondContact O-CG 3.37Å; N362-L366 PolarHBondContact O-N 3.39Å; N362-L366 VanDerWaalsContact O-N 3.1Å; E363-L366 PolarHBondContact O-N 3.48Å; L366-M369 PolarHBondContact O-N 3.27Å; L366-S370 WeakPolarHBondContact O-CB 3.28Å; L366-S370 PolarHBondContact O-N 2.95Å |
| 367 | K | 83.2 | Confident | 85.7 | Confident | 77 Ų | 77 | 67.9 Ų | 67.9 | 34% | 0.335 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.3 | -50.3 | 173.9 | -77 | 163.6 | -170.8 | 162.4 | 0 | 111.9 | F32 E363 R365 S370 A371 | F32-K367 HydrophobicContact CD1-CG 4.46Å; F32-K367 HydrophobicContact CD2-CD 3.95Å; F32-K367 HydrophobicContact CD2-CG 3.43Å; F32-K367 VanDerWaalsContact CD2-CG 3.43Å; F32-K367 HydrophobicContact CE1-CG 4.28Å; F32-K367 HydrophobicContact CE2-CB 4.32Å; F32-K367 HydrophobicContact CE2-CD 4.17Å; F32-K367 HydrophobicContact CE2-CG 3.23Å; F32-K367 HydrophobicContact CG-CG 4.08Å; F32-K367 HydrophobicContact CZ-CB 4.41Å; F32-K367 HydrophobicContact CZ-CG 3.7Å; E363-K367 WeakPolarHBondContact O-CB 3.28Å; E363-K367 WeakPolarHBondContact O-CD 3.32Å; E363-K367 VanDerWaalsContact O-CG 3.25Å; E363-K367 WeakPolarHBondContact O-CG 3.38Å; E363-K367 PolarHBondContact O-N 3Å; E363-K367 IonicContact OE2-NZ 3.49Å; E363-K367 PolarHBondContact OE2-NZ 3.32Å; R365-K367 VanDerWaalsContact C-N 3.33Å; R365-K367 PolarHBondContact O-N 3.27Å; K367-S370 PolarHBondContact O-N 2.65Å; K367-A371 PolarHBondContact O-N 3.47Å; K367-A371 VanDerWaalsContact O-N 3.14Å |
| 368 | R | 87 | Confident | 86.3 | Confident | 183 Ų | 183 | 63.9 Ų | 63.9 | 69% | 0.691 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64.6 | -42.3 | 179 | -71.8 | 178.2 | -177.5 | 178.2 | 1.7 | 112 | T364 R365 S370 A371 V372 | T364-R368 WeakPolarHBondContact O-CG 3.31Å; T364-R368 PolarHBondContact O-N 3.19Å; R365-R368 PolarHBondContact O-N 3.2Å; R368-S370 VanDerWaalsContact C-N 3.34Å; R368-A371 PolarHBondContact O-N 3.01Å; R368-V372 VanDerWaalsContact O-CG2 3.28Å; R368-V372 WeakPolarHBondContact O-CG2 3.39Å; R368-V372 PolarHBondContact O-N 3.34Å |
| 369 | M | 89.8 | Confident | 86.8 | Confident | 45 Ų | 45 | 61 Ų | 61 | 22% | 0.222 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 176.5 | -74.4 | 177.6 | 65.6 | 0 | 0 | 111.2 | I348 Y352 R365 L366 A371 V372 I373 | I348-M369 HydrophobicContact CD1-CB 4.22Å; Y352-M369 HydrophobicContact CD1-CE 3.73Å; Y352-M369 HydrophobicContact CD1-SD 4.34Å; Y352-M369 HydrophobicContact CD2-CE 4.05Å; Y352-M369 HydrophobicContact CE1-CE 3.85Å; Y352-M369 HydrophobicContact CE1-SD 3.93Å; Y352-M369 HydrophobicContact CE2-CE 4.16Å; Y352-M369 HydrophobicContact CG-CE 3.82Å; R365-M369 HydrophobicContact CG-CG 4.2Å; R365-M369 HydrophobicContact CG-SD 3.73Å; R365-M369 WeakPolarHBondContact O-CB 3.18Å; R365-M369 VanDerWaalsContact O-CG 3.3Å; R365-M369 WeakPolarHBondContact O-CG 3.26Å; R365-M369 PolarHBondContact O-N 3.25Å; L366-M369 PolarHBondContact O-N 3.27Å; M369-A371 PolarHBondContact O-N 2.88Å; M369-V372 PolarHBondContact O-N 3.5Å; M369-I373 HydrophobicContact CB-CD1 4.42Å; M369-I373 WeakPolarHBondContact O-CB 3.47Å; M369-I373 WeakPolarHBondContact O-CD1 3.47Å; M369-I373 WeakPolarHBondContact O-CG1 3.16Å; M369-I373 PolarHBondContact O-N 3.37Å |
| 370 | S | 87.3 | Confident | 87.3 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.007 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.3 | -49.6 | 177.7 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | Y36 S344 I348 L366 K367 R368 V372 I373 T374 | Y36-S370 VanDerWaalsContact CE1-OG 3.3Å; Y36-S370 WeakPolarHBondContact CE1-OG 3.1Å; S344-S370 WeakPolarHBondContact OG-CA 3.43Å; S344-S370 WeakPolarHBondContact OG-CB 3.5Å; S344-S370 PolarHBondContact OG-OG 3.21Å; I348-S370 VanDerWaalsContact CD1-CA 3.48Å; L366-S370 WeakPolarHBondContact O-CB 3.28Å; L366-S370 PolarHBondContact O-N 2.95Å; K367-S370 PolarHBondContact O-N 2.65Å; R368-S370 VanDerWaalsContact C-N 3.34Å; S370-V372 PolarHBondContact O-N 2.95Å; S370-I373 PolarHBondContact O-N 2.86Å; S370-T374 WeakPolarHBondContact O-CB 3.43Å; S370-T374 PolarHBondContact O-N 3.5Å; S370-T374 PolarHBondContact O-OG1 2.97Å |
| 371 | A | 87.9 | Confident | 87.9 | Confident | 21 Ų | 21 | 60.2 Ų | 60.2 | 17% | 0.174 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.7 | -46 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | A174 K367 R368 M369 T374 L375 | A174-A371 HydrophobicContact CB-CB 4.37Å; K367-A371 PolarHBondContact O-N 3.47Å; K367-A371 VanDerWaalsContact O-N 3.14Å; R368-A371 PolarHBondContact O-N 3.01Å; M369-A371 PolarHBondContact O-N 2.88Å; A371-T374 PolarHBondContact O-N 3.41Å; A371-L375 VanDerWaalsContact O-CG 3.25Å; A371-L375 WeakPolarHBondContact O-CG 3Å; A371-L375 PolarHBondContact O-N 3.44Å |
| 372 | V | 91.4 | Very high | 88.7 | Confident | 86 Ų | 86 | 52.7 Ų | 52.7 | 52% | 0.521 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 179.3 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | R368 M369 S370 T374 L375 V376 | R368-V372 VanDerWaalsContact O-CG2 3.28Å; R368-V372 WeakPolarHBondContact O-CG2 3.39Å; R368-V372 PolarHBondContact O-N 3.34Å; M369-V372 PolarHBondContact O-N 3.5Å; S370-V372 PolarHBondContact O-N 2.95Å; V372-T374 PolarHBondContact O-N 2.97Å; V372-L375 PolarHBondContact O-N 3.35Å; V372-V376 HydrophobicContact CG1-CG2 4.25Å; V372-V376 WeakPolarHBondContact O-CB 3.22Å; V372-V376 VanDerWaalsContact O-CG2 3.29Å; V372-V376 WeakPolarHBondContact O-CG2 3.42Å; V372-V376 PolarHBondContact O-N 3.38Å |
| 373 | I | 92.1 | Very high | 89 | Confident | 25 Ų | 25 | 55.8 Ų | 55.8 | 13% | 0.128 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 178.6 | -71.8 | 162 | 0 | 0 | 0 | 110.3 | I347 I348 M369 S370 L375 V376 L377 | I347-I373 HydrophobicContact CB-CD1 4.22Å; I347-I373 HydrophobicContact CB-CG2 4.5Å; I347-I373 HydrophobicContact CD1-CG2 3.63Å; I347-I373 HydrophobicContact CG2-CD1 3.62Å; I347-I373 HydrophobicContact CG2-CG1 4.36Å; I348-I373 HydrophobicContact CD1-CD1 4.02Å; I348-I373 HydrophobicContact CG1-CD1 3.61Å; M369-I373 HydrophobicContact CB-CD1 4.42Å; M369-I373 WeakPolarHBondContact O-CB 3.47Å; M369-I373 WeakPolarHBondContact O-CD1 3.47Å; M369-I373 WeakPolarHBondContact O-CG1 3.16Å; M369-I373 PolarHBondContact O-N 3.37Å; S370-I373 PolarHBondContact O-N 2.86Å; I373-L375 VanDerWaalsContact C-N 3.33Å; I373-L375 PolarHBondContact O-N 2.91Å; I373-V376 PolarHBondContact O-N 3.15Å; I373-L377 HydrophobicContact CG2-CD1 3.92Å; I373-L377 HydrophobicContact CG2-CG 4.34Å; I373-L377 WeakPolarHBondContact O-CB 3.31Å; I373-L377 WeakPolarHBondContact O-CG 3.24Å; I373-L377 PolarHBondContact O-N 2.89Å |
| 374 | T | 89.5 | Confident | 89.4 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.8 | -43 | 177 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | T173 A174 L340 S370 A371 V372 G378 | T173-T374 HydrophobicContact CG2-CG2 3.85Å; A174-T374 HydrophobicContact CB-CG2 4.01Å; L340-T374 HydrophobicContact CB-CG2 4.36Å; L340-T374 HydrophobicContact CD1-CG2 4.13Å; S370-T374 WeakPolarHBondContact O-CB 3.43Å; S370-T374 PolarHBondContact O-N 3.5Å; S370-T374 PolarHBondContact O-OG1 2.97Å; A371-T374 PolarHBondContact O-N 3.41Å; V372-T374 PolarHBondContact O-N 2.97Å; T374-G378 PolarHBondContact O-N 2.86Å |
| 375 | L | 90.1 | Very high | 89.8 | Confident | 71 Ų | 71 | 51.1 Ų | 51.1 | 37% | 0.372 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 177.6 | -69.7 | 172.4 | 0 | 0 | 0 | 112.4 | A170 L171 A174 A371 V372 I373 G378 A379 | A170-L375 HydrophobicContact CB-CD2 4.25Å; L171-L375 HydrophobicContact CD2-CD2 4.19Å; A174-L375 HydrophobicContact CB-CD2 4.44Å; A174-L375 HydrophobicContact CB-CG 4.34Å; A371-L375 VanDerWaalsContact O-CG 3.25Å; A371-L375 WeakPolarHBondContact O-CG 3Å; A371-L375 PolarHBondContact O-N 3.44Å; V372-L375 PolarHBondContact O-N 3.35Å; I373-L375 VanDerWaalsContact C-N 3.33Å; I373-L375 PolarHBondContact O-N 2.91Å; L375-G378 PolarHBondContact O-N 2.8Å; L375-A379 PolarHBondContact O-N 3.44Å |
| 376 | V | 92.2 | Very high | 90.2 | Very high | 79 Ų | 79 | 51 Ų | 51 | 48% | 0.479 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.9 | -46 | 176.8 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | V372 I373 G378 A379 L380 | V372-V376 HydrophobicContact CG1-CG2 4.25Å; V372-V376 WeakPolarHBondContact O-CB 3.22Å; V372-V376 VanDerWaalsContact O-CG2 3.29Å; V372-V376 WeakPolarHBondContact O-CG2 3.42Å; V372-V376 PolarHBondContact O-N 3.38Å; I373-V376 PolarHBondContact O-N 3.15Å; V376-G378 VanDerWaalsContact C-N 3.33Å; V376-G378 PolarHBondContact O-N 3.4Å; V376-A379 PolarHBondContact O-N 2.87Å; V376-L380 HydrophobicContact CG1-CD1 4.23Å; V376-L380 WeakPolarHBondContact O-CG 3.3Å; V376-L380 PolarHBondContact O-N 3.36Å |
| 377 | L | 91.9 | Very high | 90.3 | Very high | 18 Ų | 18 | 59.6 Ų | 59.6 | 9% | 0.094 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.2 | -44 | 174.3 | -72 | 175.3 | 0 | 0 | 0 | 110.9 | L340 I347 I373 A379 L380 L381 | L340-L377 HydrophobicContact CD2-CB 3.81Å; L340-L377 HydrophobicContact CD2-CD1 4.42Å; I347-L377 HydrophobicContact CD1-CD1 4.31Å; I373-L377 HydrophobicContact CG2-CD1 3.92Å; I373-L377 HydrophobicContact CG2-CG 4.34Å; I373-L377 WeakPolarHBondContact O-CB 3.31Å; I373-L377 WeakPolarHBondContact O-CG 3.24Å; I373-L377 PolarHBondContact O-N 2.89Å; L377-A379 VanDerWaalsContact C-N 3.32Å; L377-A379 PolarHBondContact O-N 2.82Å; L377-L380 PolarHBondContact O-N 3.47Å; L377-L381 WeakPolarHBondContact O-CG 3.37Å; L377-L381 PolarHBondContact O-N 2.87Å |
| 378 | G | 90.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.7 | -43.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | T374 L375 V376 L381 L382 | T374-G378 PolarHBondContact O-N 2.86Å; L375-G378 PolarHBondContact O-N 2.8Å; V376-G378 VanDerWaalsContact C-N 3.33Å; V376-G378 PolarHBondContact O-N 3.4Å; G378-L381 PolarHBondContact O-N 3.05Å; G378-L382 WeakPolarHBondContact O-CG 3.44Å; G378-L382 PolarHBondContact O-N 2.95Å |
| 379 | A | 91.1 | Very high | 89.8 | Confident | 50 Ų | 50 | 51.6 Ų | 51.6 | 41% | 0.413 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | L375 V376 L377 L381 L382 L383 | L375-A379 PolarHBondContact O-N 3.44Å; V376-A379 PolarHBondContact O-N 2.87Å; L377-A379 VanDerWaalsContact C-N 3.32Å; L377-A379 PolarHBondContact O-N 2.82Å; A379-L381 VanDerWaalsContact C-N 3.3Å; A379-L381 PolarHBondContact O-N 3.41Å; A379-L382 WeakPolarHBondContact O-CB 3.32Å; A379-L382 PolarHBondContact O-N 3.5Å; A379-L383 WeakPolarHBondContact O-CG 3.47Å; A379-L383 PolarHBondContact O-N 2.97Å |
| 380 | L | 92.1 | Very high | 89.1 | Confident | 92 Ų | 92 | 57.9 Ų | 57.9 | 48% | 0.482 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 174.9 | -70.7 | 171.9 | 0 | 0 | 0 | 111.9 | V376 L377 L383 A384 | V376-L380 HydrophobicContact CG1-CD1 4.23Å; V376-L380 WeakPolarHBondContact O-CG 3.3Å; V376-L380 PolarHBondContact O-N 3.36Å; L377-L380 PolarHBondContact O-N 3.47Å; L380-L383 WeakPolarHBondContact O-CB 3.47Å; L380-L383 PolarHBondContact O-N 3.21Å; L380-A384 WeakPolarHBondContact O-CB 3.44Å; L380-A384 PolarHBondContact O-N 3.38Å |
| 381 | L | 92.1 | Very high | 88.5 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.7 | -37.7 | 176.7 | -68.2 | 168.1 | 0 | 0 | 0 | 112.6 | V136 M139 T140 F143 L340 L377 G378 A379 L383 A384 A385 | V136-L381 HydrophobicContact CG1-CD2 4.34Å; V136-L381 WeakPolarHBondContact O-CD2 3.39Å; M139-L381 HydrophobicContact CB-CD1 3.65Å; M139-L381 HydrophobicContact CB-CD2 3.55Å; M139-L381 HydrophobicContact CB-CG 4.24Å; M139-L381 HydrophobicContact CE-CD1 3.89Å; M139-L381 HydrophobicContact CE-CD2 4.29Å; M139-L381 HydrophobicContact CG-CD1 4.29Å; M139-L381 HydrophobicContact SD-CD1 3.76Å; T140-L381 WeakPolarHBondContact OG1-CD2 3.05Å; F143-L381 HydrophobicContact CD1-CB 4.18Å; F143-L381 HydrophobicContact CD2-CB 4.4Å; F143-L381 HydrophobicContact CD2-CD1 4.38Å; F143-L381 HydrophobicContact CE1-CB 3.98Å; F143-L381 HydrophobicContact CE2-CB 4.21Å; F143-L381 HydrophobicContact CE2-CD1 3.77Å; F143-L381 HydrophobicContact CG-CB 4.39Å; F143-L381 HydrophobicContact CZ-CB 4.02Å; F143-L381 HydrophobicContact CZ-CD1 4Å; L340-L381 HydrophobicContact CD2-CD1 4.17Å; L377-L381 WeakPolarHBondContact O-CG 3.37Å; L377-L381 PolarHBondContact O-N 2.87Å; G378-L381 PolarHBondContact O-N 3.05Å; A379-L381 VanDerWaalsContact C-N 3.3Å; A379-L381 PolarHBondContact O-N 3.41Å; L381-L383 VanDerWaalsContact C-N 3.26Å; L381-L383 PolarHBondContact O-N 3.2Å; L381-A384 PolarHBondContact O-N 3.14Å; L381-A385 WeakPolarHBondContact O-CB 3.48Å; L381-A385 PolarHBondContact O-N 3.49Å |
| 382 | L | 92.7 | Very high | 88.2 | Confident | 24 Ų | 24 | 58.1 Ų | 58.1 | 13% | 0.126 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.2 | -40.2 | 172.3 | -74.4 | 170.9 | 0 | 0 | 0 | 111.5 | F143 L162 L163 I167 G378 A379 W386 | F143-L382 HydrophobicContact CD1-CD2 4.09Å; F143-L382 HydrophobicContact CD1-CG 4.47Å; F143-L382 HydrophobicContact CE1-CD2 4.04Å; F143-L382 HydrophobicContact CE1-CG 4.1Å; L162-L382 HydrophobicContact CD1-CD2 4.11Å; L162-L382 HydrophobicContact CG-CD2 3.86Å; L162-L382 WeakPolarHBondContact O-CD2 3.24Å; L163-L382 HydrophobicContact CD2-CD1 4.43Å; L163-L382 HydrophobicContact CD2-CD2 4.48Å; I167-L382 HydrophobicContact CG1-CD1 4.23Å; G378-L382 WeakPolarHBondContact O-CG 3.44Å; G378-L382 PolarHBondContact O-N 2.95Å; A379-L382 WeakPolarHBondContact O-CB 3.32Å; A379-L382 PolarHBondContact O-N 3.5Å; L382-W386 PolarHBondContact O-N 3.3Å |
| 383 | L | 92 | Very high | 87.6 | Confident | 128 Ų | 128 | 54.6 Ų | 54.6 | 67% | 0.67 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -68.6 | -44 | 175.9 | -64.8 | 172.7 | 0 | 0 | 0 | 111.7 | A379 L380 L381 W386 | A379-L383 WeakPolarHBondContact O-CG 3.47Å; A379-L383 PolarHBondContact O-N 2.97Å; L380-L383 WeakPolarHBondContact O-CB 3.47Å; L380-L383 PolarHBondContact O-N 3.21Å; L381-L383 VanDerWaalsContact C-N 3.26Å; L381-L383 PolarHBondContact O-N 3.2Å; L383-W386 WeakPolarHBondContact O-CB 3.25Å; L383-W386 PolarHBondContact O-N 3.16Å |
| 384 | A | 90.2 | Very high | 87.2 | Confident | 50 Ų | 50 | 58.5 Ų | 58.5 | 41% | 0.413 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.4 | -36.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T140 L380 L381 W386 | T140-A384 HydrophobicContact CG2-CB 3.93Å; L380-A384 WeakPolarHBondContact O-CB 3.44Å; L380-A384 PolarHBondContact O-N 3.38Å; L381-A384 PolarHBondContact O-N 3.14Å; A384-W386 VanDerWaalsContact C-N 3.3Å; A384-W386 PolarHBondContact O-N 3.16Å |
| 385 | A | 92.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -3.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T140 F143 I144 Y158 L162 L381 K387 | T140-A385 HydrophobicContact CG2-CB 4.07Å; F143-A385 HydrophobicContact CB-CB 3.83Å; I144-A385 HydrophobicContact CG1-CB 3.87Å; Y158-A385 PolarHBondContact OH-O 3.4Å; L162-A385 HydrophobicContact CD1-CB 3.84Å; L162-A385 HydrophobicContact CD2-CB 4.11Å; L381-A385 WeakPolarHBondContact O-CB 3.48Å; L381-A385 PolarHBondContact O-N 3.49Å; A385-K387 PolarHBondContact O-N 2.89Å |
| 386 | W | 92.9 | Very high | 86.4 | Confident | 118 Ų | 118 | 57.8 Ų | 57.8 | 45% | 0.447 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -34.7 | -173.4 | -163.4 | -91.2 | 0 | 0 | 0 | 113.1 | E159 L162 L163 L382 L383 A384 | E159-W386 HydrophobicContact CB-CH2 4.23Å; E159-W386 HydrophobicContact CB-CZ2 4.3Å; E159-W386 HydrophobicContact CG-CZ2 4.13Å; L162-W386 HydrophobicContact CD2-CE3 4.18Å; L163-W386 HydrophobicContact CD2-CZ3 4.37Å; L163-W386 HydrophobicContact CG-CZ3 4.46Å; L382-W386 PolarHBondContact O-N 3.3Å; L383-W386 WeakPolarHBondContact O-CB 3.25Å; L383-W386 PolarHBondContact O-N 3.16Å; A384-W386 VanDerWaalsContact C-N 3.3Å; A384-W386 PolarHBondContact O-N 3.16Å |
| 387 | K | 88 | Confident | 86.1 | Confident | 181 Ų | 181 | 54.4 Ų | 54.4 | 79% | 0.787 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -116.5 | 99.5 | 174.2 | -70.4 | -170.3 | 178.4 | -176.6 | 0 | 109.7 | A385 | A385-K387 PolarHBondContact O-N 2.89Š|
| 388 | P | 81 | Confident | 86 | Confident | 37 Ų | 37 | 57.1 Ų | 57.1 | 24% | 0.24 | 29% | 0.291 | C | S | . | . | trans | -71.3 | 145.6 | -177.8 | 28.9 | -34.4 | 0 | 0 | 0 | 111.7 | I144 Y158 | I144-P388 HydrophobicContact CB-CB 4.49Å; I144-P388 HydrophobicContact CD1-CB 4.37Å; I144-P388 HydrophobicContact CG1-CB 4.15Å; I144-P388 HydrophobicContact CG2-CB 3.53Å; Y158-P388 HydrophobicContact CE1-CG 4.05Å; Y158-P388 HydrophobicContact CE2-CB 4.39Å; Y158-P388 HydrophobicContact CE2-CG 4.06Å | ||
| 389 | P | 79 | Confident | 85.9 | Confident | 54 Ų | 54 | 57.5 Ų | 57.5 | 35% | 0.351 | 29% | 0.294 | S | S | . | . | trans | -71.6 | 171.1 | 167.2 | 34 | -33 | 0 | 0 | 0 | 110.8 | I144 L395 | I144-P389 HydrophobicContact CD1-CG 4.48Å; P389-L395 HydrophobicContact CG-CD2 4.32Å | ||
| 390 | E | 74.1 | Confident | 85.7 | Confident | 178 Ų | 178 | 55.8 Ų | 55.8 | 83% | 0.832 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -65 | -41.2 | -179.5 | -68.2 | -173.2 | 169.4 | 0 | 0 | 113.7 | ||
| 391 | M | 75.9 | Confident | 85.7 | Confident | 24 Ų | 24 | 51.4 Ų | 51.4 | 12% | 0.118 | 25% | 0.254 | C | S | . | . | trans | -133.6 | 124.4 | -179.1 | -71.2 | -68.5 | -62.9 | 0 | 0 | 110.1 | P304 D305 I393 | P304-M391 HydrophobicContact CB-CE 4.29Å; P304-M391 HydrophobicContact CB-SD 4.1Å; P304-M391 HydrophobicContact CG-SD 4.11Å; D305-M391 WeakPolarHBondContact OD1-CE 3.34Å; M391-I393 VanDerWaalsContact C-N 3.26Å; M391-I393 HydrophobicContact CB-CG2 4.28Å; M391-I393 HydrophobicContact CE-CG2 4.25Å; M391-I393 PolarHBondContact O-N 2.84Å | ||
| 392 | I | 81.6 | Confident | 85.7 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.015 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.9 | -27.7 | -175.4 | -65 | 171.5 | 0 | 0 | 0 | 111.5 | I63 V141 I144 D305 W394 L395 N396 | I63-I392 HydrophobicContact CG2-CD1 4.34Å; V141-I392 HydrophobicContact CB-CG2 3.96Å; V141-I392 HydrophobicContact CG1-CG2 3.1Å; V141-I392 HydrophobicContact CG2-CG2 4.25Å; I144-I392 HydrophobicContact CB-CD1 4.39Å; I144-I392 HydrophobicContact CG2-CD1 3.74Å; I144-I392 HydrophobicContact CG2-CG1 3.87Å; D305-I392 WeakPolarHBondContact OD2-CB 3.35Å; D305-I392 WeakPolarHBondContact OD2-CG1 3.39Å; D305-I392 PolarHBondContact OD2-N 3.32Å; I392-W394 PolarHBondContact O-N 2.83Å; I392-L395 PolarHBondContact O-N 3.33Å; I392-N396 PolarHBondContact O-N 2.92Å |
| 393 | I | 78.4 | Confident | 85.7 | Confident | 12 Ų | 12 | 51.1 Ų | 51.1 | 6% | 0.062 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.6 | -43 | -175 | -167.1 | 168.7 | 0 | 0 | 0 | 113.2 | A68 W76 M391 L395 N396 L397 | A68-I393 HydrophobicContact CB-CD1 4.15Å; W76-I393 HydrophobicContact CH2-CD1 4.26Å; W76-I393 HydrophobicContact CZ2-CD1 3.56Å; M391-I393 VanDerWaalsContact C-N 3.26Å; M391-I393 HydrophobicContact CB-CG2 4.28Å; M391-I393 HydrophobicContact CE-CG2 4.25Å; M391-I393 PolarHBondContact O-N 2.84Å; I393-L395 PolarHBondContact O-N 2.98Å; I393-N396 PolarHBondContact O-N 3.32Å; I393-L397 HydrophobicContact CG1-CD1 3.99Å; I393-L397 HydrophobicContact CG1-CG 4.23Å; I393-L397 WeakPolarHBondContact O-CG 3.38Å; I393-L397 PolarHBondContact O-N 2.75Å |
| 394 | W | 82.6 | Confident | 85.8 | Confident | 107 Ų | 107 | 45 Ų | 45 | 41% | 0.405 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.4 | -38.2 | -175.6 | -60.7 | 122 | 0 | 0 | 0 | 112.5 | F238 I392 N396 L397 L398 | F238-W394 HydrophobicContact CE2-CH2 4.22Å; F238-W394 HydrophobicContact CE2-CZ3 4.44Å; F238-W394 HydrophobicContact CZ-CH2 4.23Å; I392-W394 PolarHBondContact O-N 2.83Å; W394-N396 VanDerWaalsContact C-N 3.34Å; W394-L397 HydrophobicContact CE3-CD1 4.1Å; W394-L397 HydrophobicContact CZ3-CD1 4.18Å; W394-L398 WeakPolarHBondContact O-CB 3.47Å; W394-L398 PolarHBondContact O-N 2.63Å |
| 395 | L | 80.4 | Confident | 86.1 | Confident | 53 Ų | 53 | 42.7 Ų | 42.7 | 28% | 0.277 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.8 | -34.8 | 176.1 | -175.2 | 61.4 | 0 | 0 | 0 | 111.6 | V141 P389 I392 I393 L398 A399 | V141-L395 HydrophobicContact CG2-CB 3.6Å; V141-L395 HydrophobicContact CG2-CD2 3.5Å; V141-L395 VanDerWaalsContact CG2-CD2 3.5Å; V141-L395 HydrophobicContact CG2-CG 3.43Å; V141-L395 VanDerWaalsContact CG2-CG 3.43Å; P389-L395 HydrophobicContact CG-CD2 4.32Å; I392-L395 PolarHBondContact O-N 3.33Å; I393-L395 PolarHBondContact O-N 2.98Å; L395-L398 HydrophobicContact CD1-CD2 4.32Å; L395-L398 WeakPolarHBondContact O-CB 3.29Å; L395-A399 PolarHBondContact O-N 3.43Å; L395-A399 VanDerWaalsContact O-N 3.14Å |
| 396 | N | 83.9 | Confident | 86.2 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.011 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.5 | -44.5 | 176.2 | -165.6 | 70.9 | 0 | 0 | 0 | 112 | S60 V141 I392 I393 W394 L398 A399 F400 | S60-N396 WeakPolarHBondContact CB-ND2 3.48Å; S60-N396 PolarHBondContact OG-ND2 2.92Å; V141-N396 HydrophobicContact CG1-CB 3.81Å; V141-N396 HydrophobicContact CG2-CB 4.33Å; I392-N396 PolarHBondContact O-N 2.92Å; I393-N396 PolarHBondContact O-N 3.32Å; W394-N396 VanDerWaalsContact C-N 3.34Å; N396-L398 VanDerWaalsContact C-N 3.26Å; N396-L398 PolarHBondContact O-N 3.48Å; N396-A399 PolarHBondContact O-N 3.05Å; N396-F400 PolarHBondContact O-N 3.13Å |
| 397 | L | 86.3 | Confident | 86.3 | Confident | 9 Ų | 9 | 37.3 Ų | 37.3 | 5% | 0.047 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.9 | -35.1 | 176.7 | -68.8 | 177.7 | 0 | 0 | 0 | 111.6 | F242 L245 V246 I393 W394 G401 Y436 | F242-L397 HydrophobicContact CE1-CD1 4.34Å; F242-L397 HydrophobicContact CE2-CD1 4.16Å; F242-L397 HydrophobicContact CZ-CD1 3.56Å; L245-L397 HydrophobicContact CD2-CB 4.07Å; L245-L397 HydrophobicContact CD2-CD1 4.47Å; L245-L397 HydrophobicContact CD2-CD2 3.69Å; L245-L397 HydrophobicContact CD2-CG 4.26Å; L245-L397 HydrophobicContact CG-CD2 4.26Å; V246-L397 HydrophobicContact CG1-CD2 3.81Å; I393-L397 HydrophobicContact CG1-CD1 3.99Å; I393-L397 HydrophobicContact CG1-CG 4.23Å; I393-L397 WeakPolarHBondContact O-CG 3.38Å; I393-L397 PolarHBondContact O-N 2.75Å; W394-L397 HydrophobicContact CE3-CD1 4.1Å; W394-L397 HydrophobicContact CZ3-CD1 4.18Å; L397-G401 PolarHBondContact O-N 3.09Å; L397-Y436 PolarHBondContact O-OH 2.75Å |
| 398 | L | 88 | Confident | 86.6 | Confident | 74 Ų | 74 | 29.4 Ų | 29.4 | 39% | 0.387 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.1 | -49.8 | 171.8 | -176.2 | 70.2 | 0 | 0 | 0 | 111.8 | W394 L395 N396 F400 G402 Y436 A440 | W394-L398 WeakPolarHBondContact O-CB 3.47Å; W394-L398 PolarHBondContact O-N 2.63Å; L395-L398 HydrophobicContact CD1-CD2 4.32Å; L395-L398 WeakPolarHBondContact O-CB 3.29Å; N396-L398 VanDerWaalsContact C-N 3.26Å; N396-L398 PolarHBondContact O-N 3.48Å; L398-F400 PolarHBondContact O-N 3.46Å; L398-G402 PolarHBondContact O-N 3.48Å; L398-Y436 VanDerWaalsContact CA-OH 3.3Å; L398-Y436 WeakPolarHBondContact CA-OH 3.28Å; L398-Y436 HydrophobicContact CD1-CE1 4.01Å; L398-Y436 VanDerWaalsContact O-CE1 3.32Å; L398-Y436 WeakPolarHBondContact O-CE1 3.5Å; L398-Y436 PolarHBondContact O-OH 3.23Å; L398-A440 HydrophobicContact CD1-CB 3.47Å; L398-A440 VanDerWaalsContact CD1-CB 3.47Å |
| 399 | A | 88.8 | Confident | 87.3 | Confident | 9 Ų | 9 | 30.1 Ų | 30.1 | 7% | 0.074 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.7 | -39.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A138 L395 N396 G402 L403 | A138-A399 HydrophobicContact CB-CB 3.92Å; L395-A399 PolarHBondContact O-N 3.43Å; L395-A399 VanDerWaalsContact O-N 3.14Å; N396-A399 PolarHBondContact O-N 3.05Å; A399-G402 PolarHBondContact O-N 2.87Å; A399-L403 PolarHBondContact O-N 2.63Å |
| 400 | F | 88.5 | Confident | 88.1 | Confident | 14 Ų | 14 | 27.6 Ų | 27.6 | 6% | 0.061 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.9 | -49.2 | 178.5 | -79.7 | 20 | 0 | 0 | 0 | 111.1 | L253 N396 L398 G402 L403 E404 | L253-F400 HydrophobicContact CD1-CD2 4.11Å; L253-F400 HydrophobicContact CD1-CE2 4.27Å; L253-F400 HydrophobicContact CD1-CG 4.48Å; N396-F400 PolarHBondContact O-N 3.13Å; L398-F400 PolarHBondContact O-N 3.46Å; F400-G402 PolarHBondContact O-N 3.01Å; F400-L403 PolarHBondContact O-N 2.79Å; F400-E404 VanDerWaalsContact O-CG 3.29Å; F400-E404 WeakPolarHBondContact O-CG 3.4Å; F400-E404 PolarHBondContact O-N 3.23Å |
| 401 | G | 91.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.3 | -34.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L397 E404 A405 Y436 I452 | L397-G401 PolarHBondContact O-N 3.09Å; G401-E404 PolarHBondContact O-N 2.96Å; G401-A405 WeakPolarHBondContact O-CB 3.49Å; G401-A405 PolarHBondContact O-N 2.74Å; G401-Y436 VanDerWaalsContact C-CE1 3.48Å; G401-Y436 WeakPolarHBondContact CA-OH 3.48Å; G401-I452 WeakPolarHBondContact O-CD1 3.46Å |
| 402 | G | 92.1 | Very high | 89.7 | Confident | 19 Ų | 19 | 19.6 Ų | 19.6 | 20% | 0.196 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L398 A399 F400 V406 | L398-G402 PolarHBondContact O-N 3.48Å; A399-G402 PolarHBondContact O-N 2.87Å; F400-G402 PolarHBondContact O-N 3.01Å; G402-V406 WeakPolarHBondContact O-CG2 3.19Å; G402-V406 PolarHBondContact O-N 3.12Å |
| 403 | L | 92.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.7 | -44.7 | 174.8 | -71.8 | 168.3 | 0 | 0 | 0 | 111.5 | L131 A134 F135 L253 P254 A399 F400 A405 V406 F407 | L131-L403 HydrophobicContact CD1-CD2 4.05Å; A134-L403 HydrophobicContact CB-CD1 4.12Å; A134-L403 HydrophobicContact CB-CD2 3.59Å; A134-L403 HydrophobicContact CB-CG 3.51Å; F135-L403 HydrophobicContact CD1-CD1 3.94Å; F135-L403 HydrophobicContact CE1-CD1 3.65Å; F135-L403 HydrophobicContact CE1-CD2 4.4Å; L253-L403 HydrophobicContact CD2-CB 3.76Å; L253-L403 HydrophobicContact CD2-CD1 4.05Å; P254-L403 HydrophobicContact CG-CD2 4.26Å; A399-L403 PolarHBondContact O-N 2.63Å; F400-L403 PolarHBondContact O-N 2.79Å; L403-A405 PolarHBondContact O-N 3.18Å; L403-V406 PolarHBondContact O-N 3.5Å; L403-F407 HydrophobicContact CD2-CD2 4.09Å; L403-F407 HydrophobicContact CD2-CE2 3.89Å; L403-F407 WeakPolarHBondContact O-CB 3.44Å; L403-F407 WeakPolarHBondContact O-CD2 3.37Å; L403-F407 PolarHBondContact O-N 3.16Å |
| 404 | E | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.5 | -45 | 179.9 | -68.5 | 168.4 | -154.4 | 0 | 0 | 111.7 | L245 G249 L253 F400 G401 V406 F407 L408 I452 | L245-E404 WeakPolarHBondContact CD1-OE2 3.21Å; G249-E404 WeakPolarHBondContact O-CG 3.38Å; L253-E404 HydrophobicContact CD2-CG 3.93Å; L253-E404 HydrophobicContact CG-CG 4.37Å; F400-E404 VanDerWaalsContact O-CG 3.29Å; F400-E404 WeakPolarHBondContact O-CG 3.4Å; F400-E404 PolarHBondContact O-N 3.23Å; G401-E404 PolarHBondContact O-N 2.96Å; E404-V406 PolarHBondContact O-N 2.94Å; E404-F407 PolarHBondContact O-N 2.98Å; E404-L408 WeakPolarHBondContact O-CB 3.34Å; E404-L408 PolarHBondContact O-N 3.42Å; E404-I452 HydrophobicContact CB-CD1 4.12Å |
| 405 | A | 94.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.008 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.9 | -29.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G401 L403 Y436 I452 | G401-A405 WeakPolarHBondContact O-CB 3.49Å; G401-A405 PolarHBondContact O-N 2.74Å; L403-A405 PolarHBondContact O-N 3.18Å; A405-Y436 HydrophobicContact CB-CG 4.17Å; A405-I452 HydrophobicContact CB-CD1 4.06Å |
| 406 | V | 95.4 | Very high | 91.1 | Very high | 5 Ų | 5 | 18.1 Ų | 18.1 | 3% | 0.03 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -87.9 | -45.1 | 177.7 | 174.6 | 0 | 0 | 0 | 0 | 111.5 | L126 G402 L403 E404 P410 M429 | L126-V406 HydrophobicContact CD2-CG1 4.44Å; G402-V406 WeakPolarHBondContact O-CG2 3.19Å; G402-V406 PolarHBondContact O-N 3.12Å; L403-V406 PolarHBondContact O-N 3.5Å; E404-V406 PolarHBondContact O-N 2.94Å; V406-P410 WeakPolarHBondContact O-CD 3.37Å; V406-P410 WeakPolarHBondContact O-CG 3.35Å; V406-M429 HydrophobicContact CG1-CB 4.16Å; V406-M429 HydrophobicContact CG1-CE 3.63Å; V406-M429 HydrophobicContact CG1-CG 3.97Å; V406-M429 WeakPolarHBondContact O-CG 3.31Å |
| 407 | F | 95 | Very high | 91.2 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -101.9 | -22.2 | -163.5 | -74.1 | -78.1 | 0 | 0 | 0 | 115.3 | L110 L114 A127 L131 G252 P254 L403 E404 W409 L411 | L110-F407 HydrophobicContact CD2-CD1 3.78Å; L110-F407 HydrophobicContact CD2-CE1 3.75Å; L114-F407 HydrophobicContact CD1-CD1 4.2Å; L114-F407 HydrophobicContact CD1-CE1 3.9Å; A127-F407 HydrophobicContact CB-CE1 3.68Å; A127-F407 HydrophobicContact CB-CZ 3.86Å; A127-F407 WeakPolarHBondContact O-CZ 3.37Å; L131-F407 HydrophobicContact CB-CE2 4.34Å; L131-F407 HydrophobicContact CB-CZ 4.2Å; L131-F407 HydrophobicContact CD1-CE2 4.39Å; L131-F407 HydrophobicContact CD1-CZ 4.48Å; G252-F407 WeakPolarHBondContact O-CB 3.46Å; P254-F407 HydrophobicContact CG-CB 4.47Å; P254-F407 HydrophobicContact CG-CD1 4.23Å; P254-F407 HydrophobicContact CG-CD2 3.59Å; P254-F407 HydrophobicContact CG-CE1 4.33Å; P254-F407 HydrophobicContact CG-CE2 3.74Å; P254-F407 HydrophobicContact CG-CG 3.85Å; P254-F407 HydrophobicContact CG-CZ 4.09Å; L403-F407 HydrophobicContact CD2-CD2 4.09Å; L403-F407 HydrophobicContact CD2-CE2 3.89Å; L403-F407 WeakPolarHBondContact O-CB 3.44Å; L403-F407 WeakPolarHBondContact O-CD2 3.37Å; L403-F407 PolarHBondContact O-N 3.16Å; E404-F407 PolarHBondContact O-N 2.98Å; F407-W409 PolarHBondContact O-N 2.9Å; F407-L411 HydrophobicContact CB-CD1 3.92Å; F407-L411 HydrophobicContact CB-CG 4.43Å; F407-L411 VanDerWaalsContact O-CB 3.28Å; F407-L411 WeakPolarHBondContact O-CB 3.27Å; F407-L411 WeakPolarHBondContact O-CG 3.48Å; F407-L411 PolarHBondContact O-N 3.11Å |
| 408 | L | 95 | Very high | 90.5 | Very high | 15 Ų | 15 | 28 Ų | 28 | 8% | 0.079 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.3 | -54.9 | -169.4 | -176.5 | 67.7 | 0 | 0 | 0 | 112.6 | I251 E404 L411 V412 L456 | I251-L408 HydrophobicContact CB-CD1 4.21Å; E404-L408 WeakPolarHBondContact O-CB 3.34Å; E404-L408 PolarHBondContact O-N 3.42Å; L408-L411 PolarHBondContact O-N 3.39Å; L408-V412 HydrophobicContact CD1-CG2 4.23Å; L408-V412 WeakPolarHBondContact O-CB 3.24Å; L408-V412 WeakPolarHBondContact O-CG2 3.38Å; L408-V412 PolarHBondContact O-N 3.34Å; L408-L456 HydrophobicContact CB-CD2 4.08Å; L408-L456 HydrophobicContact CD2-CD1 3.77Å; L408-L456 HydrophobicContact CD2-CD2 3.79Å; L408-L456 HydrophobicContact CD2-CG 4.36Å |
| 409 | W | 95.6 | Very high | 89.9 | Confident | 52 Ų | 52 | 29.5 Ų | 29.5 | 20% | 0.197 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -74.1 | -44.1 | -176.2 | -56.6 | 121.6 | 0 | 0 | 0 | 113.9 | F407 L411 V412 L413 L456 L460 F463 | F407-W409 PolarHBondContact O-N 2.9Å; W409-L411 PolarHBondContact O-N 2.8Å; W409-V412 PolarHBondContact O-N 3.36Å; W409-L413 HydrophobicContact CB-CD1 4.24Å; W409-L413 HydrophobicContact CE3-CD1 4.42Å; W409-L413 HydrophobicContact CE3-CG 4.33Å; W409-L413 VanDerWaalsContact O-CB 3.28Å; W409-L413 WeakPolarHBondContact O-CB 3.5Å; W409-L413 PolarHBondContact O-N 3.08Å; W409-L456 PolarHBondContact NE1-O 3.48Å; W409-L460 HydrophobicContact CD2-CB 4.18Å; W409-L460 HydrophobicContact CD2-CD1 3.88Å; W409-L460 HydrophobicContact CE3-CD1 3.85Å; W409-L460 HydrophobicContact CG-CB 4.46Å; W409-L460 HydrophobicContact CG-CD1 4.41Å; W409-L460 HydrophobicContact CH2-CD1 4.32Å; W409-L460 HydrophobicContact CH2-CD2 3.98Å; W409-L460 HydrophobicContact CZ2-CB 3.92Å; W409-L460 HydrophobicContact CZ2-CD1 4.34Å; W409-L460 HydrophobicContact CZ2-CD2 3.96Å; W409-L460 HydrophobicContact CZ2-CG 4.3Å; W409-L460 HydrophobicContact CZ3-CD1 4.08Å; W409-L460 HydrophobicContact CZ3-CD2 4.48Å; W409-F463 HydrophobicContact CB-CD2 4.1Å |
| 410 | P | 94.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.013 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.6 | -33.6 | 171.6 | -27.3 | 35.7 | 0 | 0 | 0 | 113.6 | L114 Y118 V406 G414 A425 M429 | L114-P410 HydrophobicContact CD2-CB 4.41Å; Y118-P410 HydrophobicContact CE2-CB 4.36Å; Y118-P410 PolarHBondContact OH-O 3.36Å; V406-P410 WeakPolarHBondContact O-CD 3.37Å; V406-P410 WeakPolarHBondContact O-CG 3.35Å; P410-G414 WeakPolarHBondContact O-CA 3.4Å; P410-G414 PolarHBondContact O-N 3.01Å; P410-A425 HydrophobicContact CB-CB 4.18Å; P410-A425 HydrophobicContact CG-CB 4.3Å; P410-M429 HydrophobicContact CG-CG 3.66Å; P410-M429 HydrophobicContact CG-SD 4.26Å |
| 411 | L | 92.3 | Very high | 89.4 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -76.1 | -55.1 | 175.8 | -69.1 | 174.2 | 0 | 0 | 0 | 112.2 | F98 L110 L114 F407 L408 W409 L415 | F98-L411 HydrophobicContact CE2-CD2 4.13Å; F98-L411 HydrophobicContact CZ-CD2 4.24Å; L110-L411 HydrophobicContact CD1-CD1 4.3Å; L110-L411 HydrophobicContact CD1-CD2 3.33Å; L110-L411 HydrophobicContact CD1-CG 4.44Å; L110-L411 HydrophobicContact CD2-CD1 4.29Å; L110-L411 HydrophobicContact CD2-CD2 4.3Å; L110-L411 HydrophobicContact CG-CD2 4.18Å; L114-L411 HydrophobicContact CD2-CD2 3.92Å; F407-L411 HydrophobicContact CB-CD1 3.92Å; F407-L411 HydrophobicContact CB-CG 4.43Å; F407-L411 VanDerWaalsContact O-CB 3.28Å; F407-L411 WeakPolarHBondContact O-CB 3.27Å; F407-L411 WeakPolarHBondContact O-CG 3.48Å; F407-L411 PolarHBondContact O-N 3.11Å; L408-L411 PolarHBondContact O-N 3.39Å; W409-L411 PolarHBondContact O-N 2.8Å; L411-L415 WeakPolarHBondContact O-CB 3.23Å; L411-L415 VanDerWaalsContact O-CD1 3.26Å; L411-L415 WeakPolarHBondContact O-CD1 3.28Å; L411-L415 WeakPolarHBondContact O-CG 3.31Å; L411-L415 PolarHBondContact O-N 3.37Å |
| 412 | V | 92.1 | Very high | 89.3 | Confident | 30 Ų | 30 | 30.4 Ų | 30.4 | 18% | 0.182 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.3 | -50.6 | -173.2 | 174.3 | 0 | 0 | 0 | 0 | 111 | I251 L408 W409 L415 Y416 | I251-V412 HydrophobicContact CG2-CG2 3.84Å; L408-V412 HydrophobicContact CD1-CG2 4.23Å; L408-V412 WeakPolarHBondContact O-CB 3.24Å; L408-V412 WeakPolarHBondContact O-CG2 3.38Å; L408-V412 PolarHBondContact O-N 3.34Å; W409-V412 PolarHBondContact O-N 3.36Å; V412-L415 PolarHBondContact O-N 2.92Å; V412-Y416 PolarHBondContact O-N 2.85Å; V412-Y416 VanDerWaalsContact O-N 3.15Å |
| 413 | L | 92.1 | Very high | 89.1 | Confident | 28 Ų | 28 | 34.3 Ų | 34.3 | 15% | 0.147 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -71.1 | -36.5 | -179.7 | -60.5 | 178.3 | 0 | 0 | 0 | 111.2 | W409 L415 Y416 W417 A420 L460 F463 | W409-L413 HydrophobicContact CB-CD1 4.24Å; W409-L413 HydrophobicContact CE3-CD1 4.42Å; W409-L413 HydrophobicContact CE3-CG 4.33Å; W409-L413 VanDerWaalsContact O-CB 3.28Å; W409-L413 WeakPolarHBondContact O-CB 3.5Å; W409-L413 PolarHBondContact O-N 3.08Å; L413-L415 PolarHBondContact O-N 3.47Å; L413-Y416 PolarHBondContact O-N 3.43Å; L413-W417 HydrophobicContact CB-CB 4.26Å; L413-W417 HydrophobicContact CB-CE3 4.3Å; L413-W417 HydrophobicContact CD1-CE3 4.33Å; L413-W417 HydrophobicContact CD2-CB 4.35Å; L413-W417 WeakPolarHBondContact O-CA 3.25Å; L413-W417 VanDerWaalsContact O-CB 3.24Å; L413-W417 WeakPolarHBondContact O-CB 3.2Å; L413-W417 PolarHBondContact O-N 3.05Å; L413-A420 HydrophobicContact CB-CB 4.45Å; L413-A420 WeakPolarHBondContact O-CB 3.23Å; L413-L460 HydrophobicContact CD1-CD1 3.94Å; L413-F463 HydrophobicContact CB-CE1 4.01Å; L413-F463 HydrophobicContact CB-CE2 4.34Å; L413-F463 HydrophobicContact CB-CZ 3.92Å; L413-F463 HydrophobicContact CD1-CB 4.24Å; L413-F463 HydrophobicContact CD1-CD1 3.44Å; L413-F463 VanDerWaalsContact CD1-CD1 3.44Å; L413-F463 HydrophobicContact CD1-CD2 4.09Å; L413-F463 HydrophobicContact CD1-CE1 3.77Å; L413-F463 HydrophobicContact CD1-CE2 4.35Å; L413-F463 HydrophobicContact CD1-CG 3.65Å; L413-F463 HydrophobicContact CD1-CZ 4.23Å |
| 414 | G | 88.4 | Confident | 89.1 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 4% | 0.041 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.9 | -30.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R117 Y118 P410 | R117-G414 VanDerWaalsContact CD-O 3.29Å; R117-G414 WeakPolarHBondContact CD-O 3.5Å; R117-G414 PolarHBondContact NE-O 3.46Å; Y118-G414 WeakPolarHBondContact OH-CA 3.37Å; Y118-G414 PolarHBondContact OH-N 3.04Å; P410-G414 WeakPolarHBondContact O-CA 3.4Å; P410-G414 PolarHBondContact O-N 3.01Å |
| 415 | L | 85.8 | Confident | 89.1 | Confident | 12 Ų | 12 | 34.2 Ų | 34.2 | 6% | 0.063 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -88.1 | -32.3 | -179.7 | -69.8 | 166.2 | 0 | 0 | 0 | 114.7 | L94 K97 F98 L101 L411 V412 L413 | L94-L415 HydrophobicContact CD2-CD1 3.37Å; K97-L415 HydrophobicContact CB-CD2 4.44Å; K97-L415 WeakPolarHBondContact CD-O 3.35Å; K97-L415 PolarHBondContact NZ-O 3.32Å; F98-L415 HydrophobicContact CD2-CD1 3.49Å; F98-L415 VanDerWaalsContact CD2-CD1 3.49Å; F98-L415 HydrophobicContact CD2-CD2 3.59Å; F98-L415 HydrophobicContact CD2-CG 4.06Å; F98-L415 HydrophobicContact CE2-CD1 3.96Å; F98-L415 HydrophobicContact CE2-CD2 4.06Å; F98-L415 HydrophobicContact CE2-CG 4.36Å; L101-L415 HydrophobicContact CD1-CD2 3.44Å; L101-L415 VanDerWaalsContact CD1-CD2 3.44Å; L411-L415 WeakPolarHBondContact O-CB 3.23Å; L411-L415 VanDerWaalsContact O-CD1 3.26Å; L411-L415 WeakPolarHBondContact O-CD1 3.28Å; L411-L415 WeakPolarHBondContact O-CG 3.31Å; L411-L415 PolarHBondContact O-N 3.37Å; V412-L415 PolarHBondContact O-N 2.92Å; L413-L415 PolarHBondContact O-N 3.47Å |
| 416 | Y | 86 | Confident | 89.1 | Confident | 101 Ų | 101 | 35.4 Ų | 35.4 | 40% | 0.396 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -117.3 | -15 | -168.1 | -73.6 | -79.9 | 0 | 0 | 0 | 114.4 | I93 K97 V412 L413 | I93-Y416 HydrophobicContact CG2-CD2 4.46Å; I93-Y416 HydrophobicContact CG2-CE2 3.68Å; I93-Y416 WeakPolarHBondContact O-CE2 3.3Å; I93-Y416 PolarHBondContact O-OH 2.85Å; K97-Y416 HydrophobicContact CD-CD1 4Å; K97-Y416 HydrophobicContact CD-CE1 3.54Å; K97-Y416 HydrophobicContact CD-CE2 4.32Å; K97-Y416 HydrophobicContact CG-CE1 4.28Å; V412-Y416 PolarHBondContact O-N 2.85Å; V412-Y416 VanDerWaalsContact O-N 3.15Å; L413-Y416 PolarHBondContact O-N 3.43Å |
| 417 | W | 85 | Confident | 89.1 | Confident | 68 Ų | 68 | 36 Ų | 36 | 26% | 0.258 | 17% | 0.166 | S | C | . | . | trans | -110.9 | 115.7 | 178.7 | -163.8 | 33.1 | 0 | 0 | 0 | 110.1 | R117 L413 R419 A420 F463 L464 A467 | R117-W417 PolarHBondContact NH2-O 2.95Å; R117-W417 VanDerWaalsContact NH2-O 3.15Å; L413-W417 HydrophobicContact CB-CB 4.26Å; L413-W417 HydrophobicContact CB-CE3 4.3Å; L413-W417 HydrophobicContact CD1-CE3 4.33Å; L413-W417 HydrophobicContact CD2-CB 4.35Å; L413-W417 WeakPolarHBondContact O-CA 3.25Å; L413-W417 VanDerWaalsContact O-CB 3.24Å; L413-W417 WeakPolarHBondContact O-CB 3.2Å; L413-W417 PolarHBondContact O-N 3.05Å; W417-R419 VanDerWaalsContact C-N 3.26Å; W417-R419 HydrophobicContact CD2-CB 4.05Å; W417-R419 HydrophobicContact CG-CB 4.48Å; W417-R419 HydrophobicContact CH2-CB 4.38Å; W417-R419 HydrophobicContact CZ2-CB 3.81Å; W417-R419 HydrophobicContact CZ2-CG 4.3Å; W417-R419 PolarHBondContact O-N 3.17Å; W417-A420 HydrophobicContact CB-CB 4.32Å; W417-A420 HydrophobicContact CE3-CB 4.16Å; W417-A420 VanDerWaalsContact O-CB 3.31Å; W417-A420 WeakPolarHBondContact O-CB 3.38Å; W417-A420 PolarHBondContact O-N 3.41Å; W417-F463 HydrophobicContact CE3-CD1 4.22Å; W417-F463 AromaticContact CE3-CE1 3.75Å; W417-F463 HydrophobicContact CE3-CE1 3.75Å; W417-F463 AromaticContact CZ3-CD1 3.76Å; W417-F463 HydrophobicContact CZ3-CD1 3.76Å; W417-F463 AromaticContact CZ3-CE1 3.63Å; W417-F463 HydrophobicContact CZ3-CE1 3.63Å; W417-L464 HydrophobicContact CE3-CD2 4.49Å; W417-L464 HydrophobicContact CH2-CD2 3.57Å; W417-L464 HydrophobicContact CZ2-CD2 4.29Å; W417-L464 HydrophobicContact CZ3-CD2 3.68Å; W417-A467 HydrophobicContact CH2-CB 3.56Å; W417-A467 HydrophobicContact CZ3-CB 3.4Å; W417-A467 VanDerWaalsContact CZ3-CB 3.4Å | ||
| 418 | E | 71.4 | Confident | 89.2 | Confident | 149 Ų | 149 | 36 Ų | 36 | 70% | 0.696 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -39.3 | -179.4 | -69.4 | 166.8 | -166.5 | 0 | 0 | 110.6 | R117 A420 | R117-E418 PolarHBondContact NH2-O 2.97Å; E418-A420 PolarHBondContact O-N 2.67Å |
| 419 | R | 75.3 | Confident | 89.3 | Confident | 107 Ų | 107 | 35.4 Ų | 35.4 | 40% | 0.404 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -3.3 | 178.3 | -47.1 | 179.9 | -172.8 | -171.9 | -5.4 | 115.4 | W417 N421 E558 | W417-R419 VanDerWaalsContact C-N 3.26Å; W417-R419 HydrophobicContact CD2-CB 4.05Å; W417-R419 HydrophobicContact CG-CB 4.48Å; W417-R419 HydrophobicContact CH2-CB 4.38Å; W417-R419 HydrophobicContact CZ2-CB 3.81Å; W417-R419 HydrophobicContact CZ2-CG 4.3Å; W417-R419 PolarHBondContact O-N 3.17Å; R419-N421 PolarHBondContact O-N 2.95Å; R419-E558 WeakPolarHBondContact CD-OE2 3.33Å; R419-E558 HydrophobicContact CG-CB 4.16Å; R419-E558 HydrophobicContact CG-CG 3.89Å; R419-E558 WeakPolarHBondContact CG-OE2 3.47Å; R419-E558 IonicContact CZ-OE1 3.33Å; R419-E558 IonicContact CZ-OE2 3.31Å; R419-E558 IonicContact NE-OE1 2.66Å; R419-E558 PolarHBondContact NE-OE1 3.14Å; R419-E558 VanDerWaalsContact NE-OE1 3.08Å; R419-E558 IonicContact NE-OE2 2.78Å; R419-E558 PolarHBondContact NE-OE2 3.31Å; R419-E558 IonicContact NH1-OE1 2.7Å; R419-E558 VanDerWaalsContact NH2-CD 3.29Å; R419-E558 IonicContact NH2-OE1 3.77Å; R419-E558 PolarHBondContact NH2-OE1 3.01Å; R419-E558 IonicContact NH2-OE2 3.7Å |
| 420 | A | 84 | Confident | 89.3 | Confident | 3 Ų | 3 | 37 Ų | 37 | 3% | 0.025 | 18% | 0.175 | C | C | . | . | trans | -64.9 | 126.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | R117 Y118 L413 W417 E418 F463 | R117-A420 PolarHBondContact NH1-O 2.88Å; R117-A420 PolarHBondContact NH2-O 3.46Å; Y118-A420 HydrophobicContact CE1-CB 4.2Å; L413-A420 HydrophobicContact CB-CB 4.45Å; L413-A420 WeakPolarHBondContact O-CB 3.23Å; W417-A420 HydrophobicContact CB-CB 4.32Å; W417-A420 HydrophobicContact CE3-CB 4.16Å; W417-A420 VanDerWaalsContact O-CB 3.31Å; W417-A420 WeakPolarHBondContact O-CB 3.38Å; W417-A420 PolarHBondContact O-N 3.41Å; E418-A420 PolarHBondContact O-N 2.67Å; A420-F463 HydrophobicContact CB-CE1 3.97Å; A420-F463 HydrophobicContact CB-CZ 3.77Å | ||
| 421 | N | 83.8 | Confident | 89.4 | Confident | 12 Ų | 12 | 39.5 Ų | 39.5 | 6% | 0.064 | 19% | 0.19 | C | C | . | . | trans | -125.7 | 174.2 | -178.8 | 72.6 | 20.1 | 0 | 0 | 0 | 112 | Y118 R419 K423 G424 A425 F466 A467 | Y118-N421 VanDerWaalsContact CD1-C 3.43Å; Y118-N421 WeakPolarHBondContact CD1-O 3.27Å; Y118-N421 VanDerWaalsContact CE1-O 3.24Å; Y118-N421 WeakPolarHBondContact CE1-O 3.33Å; R419-N421 PolarHBondContact O-N 2.95Å; N421-K423 PolarHBondContact OD1-N 2.85Å; N421-G424 PolarHBondContact OD1-N 3.32Å; N421-A425 PolarHBondContact O-N 3.45Å; N421-A425 VanDerWaalsContact O-N 3.13Å; N421-F466 PolarHBondContact ND2-O 3.33Å; N421-F466 PolarHBondContact OD1-O 3.11Å; N421-A467 VanDerWaalsContact ND2-C 3.32Å; N421-A467 WeakPolarHBondContact ND2-CA 3.39Å; N421-A467 PolarHBondContact ND2-O 3.49Å; N421-A467 VanDerWaalsContact ND2-O 3.09Å | ||
| 422 | A | 89.5 | Confident | 89.6 | Confident | 26 Ų | 26 | 39.3 Ų | 39.3 | 22% | 0.215 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.2 | -36.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A425 L426 | A422-A425 PolarHBondContact O-N 2.97Å; A422-L426 WeakPolarHBondContact O-CB 3.39Å; A422-L426 WeakPolarHBondContact O-CG 3.34Å; A422-L426 PolarHBondContact O-N 2.96Å |
| 423 | K | 87.6 | Confident | 89.7 | Confident | 101 Ų | 101 | 38.8 Ų | 38.8 | 44% | 0.439 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.9 | -49.9 | 179.5 | -68.9 | -175.8 | -178.5 | 179.5 | 0 | 110.3 | N421 A425 L426 S427 F466 D528 | N421-K423 PolarHBondContact OD1-N 2.85Å; K423-A425 PolarHBondContact O-N 2.87Å; K423-L426 PolarHBondContact O-N 3.4Å; K423-S427 PolarHBondContact O-N 2.73Å; K423-S427 PolarHBondContact O-OG 3.38Å; K423-F466 HydrophobicContact CB-CB 4.38Å; K423-D528 IonicContact NZ-OD2 3.56Å; K423-D528 PolarHBondContact NZ-OD2 3.03Å |
| 424 | G | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.1 | -40.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N421 S427 A428 F463 F466 | N421-G424 PolarHBondContact OD1-N 3.32Å; G424-S427 PolarHBondContact O-OG 3.25Å; G424-A428 WeakPolarHBondContact O-CB 3.11Å; G424-A428 PolarHBondContact O-N 2.75Å; G424-A428 VanDerWaalsContact O-N 3.09Å; G424-F463 WeakPolarHBondContact O-CA 3.02Å; G424-F463 VanDerWaalsContact O-CD2 3.23Å; G424-F463 WeakPolarHBondContact O-CD2 3.36Å; G424-F466 PolarHBondContact N-O 3.48Å |
| 425 | A | 95.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.5 | -43.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y118 L123 P410 N421 A422 K423 A428 M429 F463 | Y118-A425 HydrophobicContact CD1-CB 4.14Å; Y118-A425 HydrophobicContact CD2-CB 4.34Å; Y118-A425 HydrophobicContact CE1-CB 3.77Å; Y118-A425 HydrophobicContact CE2-CB 3.99Å; Y118-A425 HydrophobicContact CG-CB 4.39Å; L123-A425 HydrophobicContact CD1-CB 3.46Å; L123-A425 VanDerWaalsContact CD1-CB 3.46Å; P410-A425 HydrophobicContact CB-CB 4.18Å; P410-A425 HydrophobicContact CG-CB 4.3Å; N421-A425 PolarHBondContact O-N 3.45Å; N421-A425 VanDerWaalsContact O-N 3.13Å; A422-A425 PolarHBondContact O-N 2.97Å; K423-A425 PolarHBondContact O-N 2.87Å; A425-A428 PolarHBondContact O-N 2.9Å; A425-M429 WeakPolarHBondContact O-CG 3.24Å; A425-M429 PolarHBondContact O-N 3.44Å; A425-F463 VanDerWaalsContact CA-CE2 3.43Å; A425-F463 HydrophobicContact CB-CE2 3.79Å; A425-F463 HydrophobicContact CB-CZ 4.38Å |
| 426 | L | 95.5 | Very high | 90.7 | Very high | 25 Ų | 25 | 43.1 Ų | 43.1 | 13% | 0.131 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.8 | -44.6 | 176.8 | -80.3 | 168.3 | 0 | 0 | 0 | 112.4 | L122 L123 A422 K423 A428 M429 I430 | L122-L426 HydrophobicContact CD2-CD1 4Å; L122-L426 HydrophobicContact CD2-CD2 4.27Å; L122-L426 HydrophobicContact CG-CD1 4.46Å; L122-L426 HydrophobicContact CG-CD2 4.11Å; L123-L426 HydrophobicContact CB-CD2 3.93Å; L123-L426 HydrophobicContact CB-CG 4.17Å; L123-L426 HydrophobicContact CD1-CG 4.46Å; L123-L426 HydrophobicContact CG-CD2 4.44Å; A422-L426 WeakPolarHBondContact O-CB 3.39Å; A422-L426 WeakPolarHBondContact O-CG 3.34Å; A422-L426 PolarHBondContact O-N 2.96Å; K423-L426 PolarHBondContact O-N 3.4Å; L426-A428 VanDerWaalsContact C-N 3.32Å; L426-A428 PolarHBondContact O-N 2.98Å; L426-M429 PolarHBondContact O-N 2.97Å; L426-I430 VanDerWaalsContact O-CG1 3.29Å; L426-I430 WeakPolarHBondContact O-CG1 3.29Å; L426-I430 PolarHBondContact O-N 3.15Å |
| 427 | S | 95.2 | Very high | 91 | Very high | 18 Ų | 18 | 40.7 Ų | 40.7 | 13% | 0.126 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.3 | -44.5 | 178.2 | 67.1 | 0 | 0 | 0 | 0 | 110.8 | K423 G424 M429 I430 V431 A462 | K423-S427 PolarHBondContact O-N 2.73Å; K423-S427 PolarHBondContact O-OG 3.38Å; G424-S427 PolarHBondContact O-OG 3.25Å; S427-M429 PolarHBondContact O-N 3.17Å; S427-I430 PolarHBondContact O-N 3.41Å; S427-V431 VanDerWaalsContact O-CB 3.29Å; S427-V431 WeakPolarHBondContact O-CB 3.26Å; S427-V431 VanDerWaalsContact O-CG2 3.27Å; S427-V431 WeakPolarHBondContact O-CG2 3.23Å; S427-V431 PolarHBondContact O-N 2.76Å; S427-A462 VanDerWaalsContact OG-C 3.26Å; S427-A462 PolarHBondContact OG-O 3.3Å |
| 428 | A | 96.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.5 | -44.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G424 A425 L426 G432 S459 F463 | G424-A428 WeakPolarHBondContact O-CB 3.11Å; G424-A428 PolarHBondContact O-N 2.75Å; G424-A428 VanDerWaalsContact O-N 3.09Å; A425-A428 PolarHBondContact O-N 2.9Å; L426-A428 VanDerWaalsContact C-N 3.32Å; L426-A428 PolarHBondContact O-N 2.98Å; A428-G432 WeakPolarHBondContact O-CA 3.35Å; A428-G432 PolarHBondContact O-N 3.47Å; A428-S459 VanDerWaalsContact C-OG 3.31Å; A428-S459 WeakPolarHBondContact CA-OG 3.44Å; A428-S459 WeakPolarHBondContact CB-O 3.48Å; A428-S459 WeakPolarHBondContact CB-OG 3.32Å; A428-S459 PolarHBondContact O-OG 3.31Å; A428-F463 HydrophobicContact CB-CB 3.8Å; A428-F463 HydrophobicContact CB-CD2 3.63Å; A428-F463 HydrophobicContact CB-CG 4.19Å |
| 429 | M | 96.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.6 | -44 | 178.8 | -70.1 | 169.7 | 85.3 | 0 | 0 | 112.1 | L123 L126 A127 V406 P410 A425 L426 S427 G433 | L123-M429 HydrophobicContact CD1-SD 4.4Å; L123-M429 HydrophobicContact CD2-SD 4.32Å; L123-M429 HydrophobicContact CG-SD 3.81Å; L126-M429 HydrophobicContact CB-CE 4.44Å; L126-M429 HydrophobicContact CD2-CB 3.69Å; L126-M429 HydrophobicContact CD2-CE 3.48Å; L126-M429 VanDerWaalsContact CD2-CE 3.48Å; L126-M429 HydrophobicContact CD2-CG 4.41Å; L126-M429 HydrophobicContact CD2-SD 4.24Å; A127-M429 HydrophobicContact CB-CE 3.61Å; V406-M429 HydrophobicContact CG1-CB 4.16Å; V406-M429 HydrophobicContact CG1-CE 3.63Å; V406-M429 HydrophobicContact CG1-CG 3.97Å; V406-M429 WeakPolarHBondContact O-CG 3.31Å; P410-M429 HydrophobicContact CG-CG 3.66Å; P410-M429 HydrophobicContact CG-SD 4.26Å; A425-M429 WeakPolarHBondContact O-CG 3.24Å; A425-M429 PolarHBondContact O-N 3.44Å; L426-M429 PolarHBondContact O-N 2.97Å; S427-M429 PolarHBondContact O-N 3.17Å; M429-G433 PolarHBondContact O-N 3.09Å |
| 430 | I | 96.3 | Very high | 93.4 | Very high | 86 Ų | 86 | 30.7 Ų | 30.7 | 44% | 0.441 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -69.9 | -53.2 | -179 | -67.1 | 166.6 | 0 | 0 | 0 | 110 | L126 L426 S427 G432 G433 V434 | L126-I430 HydrophobicContact CD1-CD1 4.25Å; L126-I430 HydrophobicContact CD1-CG1 3.68Å; L426-I430 VanDerWaalsContact O-CG1 3.29Å; L426-I430 WeakPolarHBondContact O-CG1 3.29Å; L426-I430 PolarHBondContact O-N 3.15Å; S427-I430 PolarHBondContact O-N 3.41Å; I430-G432 PolarHBondContact O-N 3.42Å; I430-G433 PolarHBondContact O-N 2.88Å; I430-V434 HydrophobicContact CG2-CG2 4.31Å; I430-V434 VanDerWaalsContact O-CB 3.26Å; I430-V434 WeakPolarHBondContact O-CB 3.17Å; I430-V434 VanDerWaalsContact O-CG2 3.26Å; I430-V434 WeakPolarHBondContact O-CG2 3.26Å; I430-V434 PolarHBondContact O-N 3.21Å |
| 431 | V | 97.1 | Very high | 93.7 | Very high | 54 Ų | 54 | 36.1 Ų | 36.1 | 33% | 0.327 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.5 | -48.7 | -178.9 | 172 | 0 | 0 | 0 | 0 | 110.2 | S427 L435 L458 A462 | S427-V431 VanDerWaalsContact O-CB 3.29Å; S427-V431 WeakPolarHBondContact O-CB 3.26Å; S427-V431 VanDerWaalsContact O-CG2 3.27Å; S427-V431 WeakPolarHBondContact O-CG2 3.23Å; S427-V431 PolarHBondContact O-N 2.76Å; V431-L435 WeakPolarHBondContact O-CB 3.31Å; V431-L435 PolarHBondContact O-N 3.13Å; V431-L458 HydrophobicContact CG1-CB 4.17Å; V431-A462 HydrophobicContact CB-CB 4.01Å; V431-A462 HydrophobicContact CG1-CB 4.25Å; V431-A462 HydrophobicContact CG2-CB 3.83Å |
| 432 | G | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.5 | -51.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A428 I430 Y436 | A428-G432 WeakPolarHBondContact O-CA 3.35Å; A428-G432 PolarHBondContact O-N 3.47Å; I430-G432 PolarHBondContact O-N 3.42Å; G432-Y436 WeakPolarHBondContact O-CB 3.31Å; G432-Y436 PolarHBondContact O-N 3.13Å |
| 433 | G | 94.6 | Very high | 94 | Very high | 19 Ų | 19 | 45.5 Ų | 45.5 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.4 | -47.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | M429 I430 A437 | M429-G433 PolarHBondContact O-N 3.09Å; I430-G433 PolarHBondContact O-N 2.88Å; G433-A437 VanDerWaalsContact O-CB 3.31Å; G433-A437 WeakPolarHBondContact O-CB 3.27Å; G433-A437 PolarHBondContact O-N 2.91Å |
| 434 | V | 95.3 | Very high | 94.1 | Very high | 88 Ų | 88 | 44.4 Ų | 44.4 | 53% | 0.533 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.4 | -47.7 | -179.6 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | I430 Y436 A437 V438 | I430-V434 HydrophobicContact CG2-CG2 4.31Å; I430-V434 VanDerWaalsContact O-CB 3.26Å; I430-V434 WeakPolarHBondContact O-CB 3.17Å; I430-V434 VanDerWaalsContact O-CG2 3.26Å; I430-V434 WeakPolarHBondContact O-CG2 3.26Å; I430-V434 PolarHBondContact O-N 3.21Å; V434-Y436 VanDerWaalsContact C-N 3.33Å; V434-Y436 PolarHBondContact O-N 3.47Å; V434-A437 PolarHBondContact O-N 3.23Å; V434-V438 HydrophobicContact CG1-CG2 4.31Å; V434-V438 VanDerWaalsContact O-CG2 3.31Å; V434-V438 WeakPolarHBondContact O-CG2 3.4Å; V434-V438 PolarHBondContact O-N 3.38Å |
| 435 | L | 95.8 | Very high | 94 | Very high | 41 Ų | 41 | 49.7 Ų | 49.7 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.5 | -43.5 | -179.1 | -178.2 | 61 | 0 | 0 | 0 | 111.2 | V431 V438 L439 L458 | V431-L435 WeakPolarHBondContact O-CB 3.31Å; V431-L435 PolarHBondContact O-N 3.13Å; L435-V438 PolarHBondContact O-N 2.8Å; L435-L439 HydrophobicContact CD1-CD1 3.8Å; L435-L439 HydrophobicContact CD1-CD2 4.45Å; L435-L439 HydrophobicContact CD1-CG 3.86Å; L435-L439 HydrophobicContact CG-CD1 3.84Å; L435-L439 HydrophobicContact CG-CG 4.26Å; L435-L439 WeakPolarHBondContact O-CB 3.21Å; L435-L439 VanDerWaalsContact O-CG 3.3Å; L435-L439 WeakPolarHBondContact O-CG 3.32Å; L435-L439 PolarHBondContact O-N 3.31Å; L435-L458 HydrophobicContact CD2-CB 3.92Å; L435-L458 HydrophobicContact CD2-CD1 3.4Å; L435-L458 VanDerWaalsContact CD2-CD1 3.4Å; L435-L458 HydrophobicContact CD2-CG 4.2Å |
| 436 | Y | 95.5 | Very high | 93.6 | Very high | 6 Ų | 6 | 57.1 Ų | 57.1 | 2% | 0.024 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 176.5 | -178 | -101 | 0 | 0 | 0 | 111.5 | L397 L398 G401 A405 G432 V434 V438 L439 A440 P451 I452 S455 | L397-Y436 PolarHBondContact O-OH 2.75Å; L398-Y436 VanDerWaalsContact CA-OH 3.3Å; L398-Y436 WeakPolarHBondContact CA-OH 3.28Å; L398-Y436 HydrophobicContact CD1-CE1 4.01Å; L398-Y436 VanDerWaalsContact O-CE1 3.32Å; L398-Y436 WeakPolarHBondContact O-CE1 3.5Å; L398-Y436 PolarHBondContact O-OH 3.23Å; G401-Y436 VanDerWaalsContact C-CE1 3.48Å; G401-Y436 WeakPolarHBondContact CA-OH 3.48Å; A405-Y436 HydrophobicContact CB-CG 4.17Å; G432-Y436 WeakPolarHBondContact O-CB 3.31Å; G432-Y436 PolarHBondContact O-N 3.13Å; V434-Y436 VanDerWaalsContact C-N 3.33Å; V434-Y436 PolarHBondContact O-N 3.47Å; Y436-V438 VanDerWaalsContact C-N 3.35Å; Y436-V438 PolarHBondContact O-N 2.97Å; Y436-L439 PolarHBondContact O-N 3.4Å; Y436-A440 HydrophobicContact CE1-CB 4.38Å; Y436-A440 WeakPolarHBondContact O-CB 3.47Å; Y436-A440 PolarHBondContact O-N 3.48Å; Y436-P451 HydrophobicContact CD2-CB 4.01Å; Y436-P451 HydrophobicContact CE2-CB 4.03Å; Y436-I452 HydrophobicContact CD2-CB 4.29Å; Y436-I452 HydrophobicContact CD2-CD1 3.96Å; Y436-I452 HydrophobicContact CE2-CB 3.95Å; Y436-I452 HydrophobicContact CE2-CD1 4.04Å; Y436-S455 VanDerWaalsContact CA-OG 3.25Å; Y436-S455 WeakPolarHBondContact CA-OG 3.17Å; Y436-S455 PolarHBondContact N-OG 3.12Å |
| 437 | A | 92.9 | Very high | 93.3 | Very high | 49 Ų | 49 | 62.2 Ų | 62.2 | 41% | 0.405 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G433 V434 T441 | G433-A437 VanDerWaalsContact O-CB 3.31Å; G433-A437 WeakPolarHBondContact O-CB 3.27Å; G433-A437 PolarHBondContact O-N 2.91Å; V434-A437 PolarHBondContact O-N 3.23Å; A437-T441 WeakPolarHBondContact O-CB 3.35Å; A437-T441 PolarHBondContact O-N 3.08Å; A437-T441 PolarHBondContact O-OG1 2.88Å |
| 438 | V | 94.5 | Very high | 93 | Very high | 69 Ų | 69 | 62.8 Ų | 62.8 | 42% | 0.418 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65 | -52.8 | 178.7 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | V434 L435 Y436 A440 T441 L442 | V434-V438 HydrophobicContact CG1-CG2 4.31Å; V434-V438 VanDerWaalsContact O-CG2 3.31Å; V434-V438 WeakPolarHBondContact O-CG2 3.4Å; V434-V438 PolarHBondContact O-N 3.38Å; L435-V438 PolarHBondContact O-N 2.8Å; Y436-V438 VanDerWaalsContact C-N 3.35Å; Y436-V438 PolarHBondContact O-N 2.97Å; V438-A440 PolarHBondContact O-N 2.7Å; V438-T441 PolarHBondContact O-N 2.97Å; V438-L442 HydrophobicContact CG1-CD1 3.85Å; V438-L442 WeakPolarHBondContact O-CB 3.29Å; V438-L442 WeakPolarHBondContact O-CG 3.17Å; V438-L442 PolarHBondContact O-N 3.4Å |
| 439 | L | 95.2 | Very high | 92.8 | Very high | 22 Ų | 22 | 65.6 Ų | 65.6 | 12% | 0.115 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.3 | -40.3 | -177.5 | -69.2 | 179.9 | 0 | 0 | 0 | 112 | L435 Y436 N443 I444 P451 P454 | L435-L439 HydrophobicContact CD1-CD1 3.8Å; L435-L439 HydrophobicContact CD1-CD2 4.45Å; L435-L439 HydrophobicContact CD1-CG 3.86Å; L435-L439 HydrophobicContact CG-CD1 3.84Å; L435-L439 HydrophobicContact CG-CG 4.26Å; L435-L439 WeakPolarHBondContact O-CB 3.21Å; L435-L439 VanDerWaalsContact O-CG 3.3Å; L435-L439 WeakPolarHBondContact O-CG 3.32Å; L435-L439 PolarHBondContact O-N 3.31Å; Y436-L439 PolarHBondContact O-N 3.4Å; L439-N443 WeakPolarHBondContact O-CA 3.35Å; L439-N443 PolarHBondContact O-N 3.05Å; L439-I444 HydrophobicContact CD2-CB 3.84Å; L439-I444 HydrophobicContact CD2-CD1 4.45Å; L439-I444 HydrophobicContact CD2-CG2 3.85Å; L439-I444 PolarHBondContact O-N 3.31Å; L439-P451 HydrophobicContact CB-CB 3.68Å; L439-P451 HydrophobicContact CB-CG 4.04Å; L439-P454 HydrophobicContact CD1-CB 4.45Å; L439-P454 HydrophobicContact CD1-CG 3.78Å |
| 440 | A | 91.5 | Very high | 92.6 | Very high | 23 Ų | 23 | 67 Ų | 67 | 19% | 0.19 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -71.2 | -41.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L398 Y436 V438 N443 P451 | L398-A440 HydrophobicContact CD1-CB 3.47Å; L398-A440 VanDerWaalsContact CD1-CB 3.47Å; Y436-A440 HydrophobicContact CE1-CB 4.38Å; Y436-A440 WeakPolarHBondContact O-CB 3.47Å; Y436-A440 PolarHBondContact O-N 3.48Å; V438-A440 PolarHBondContact O-N 2.7Å; A440-N443 PolarHBondContact O-N 2.57Å; A440-P451 HydrophobicContact CB-CB 4.37Å; A440-P451 HydrophobicContact CB-CG 4.37Å |
| 441 | T | 89.6 | Confident | 92.5 | Very high | 118 Ų | 118 | 63.1 Ų | 63.1 | 72% | 0.724 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -68.3 | -38.3 | 179.2 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | A437 V438 N443 | A437-T441 WeakPolarHBondContact O-CB 3.35Å; A437-T441 PolarHBondContact O-N 3.08Å; A437-T441 PolarHBondContact O-OG1 2.88Å; V438-T441 PolarHBondContact O-N 2.97Å; T441-N443 VanDerWaalsContact C-N 3.27Å |
| 442 | L | 92.2 | Very high | 92.4 | Very high | 114 Ų | 114 | 60.5 Ų | 60.5 | 60% | 0.597 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -0.3 | 177.6 | -60.5 | 179 | 0 | 0 | 0 | 113.1 | V438 I444 | V438-L442 HydrophobicContact CG1-CD1 3.85Å; V438-L442 WeakPolarHBondContact O-CB 3.29Å; V438-L442 WeakPolarHBondContact O-CG 3.17Å; V438-L442 PolarHBondContact O-N 3.4Å; L442-I444 HydrophobicContact CB-CD1 3.62Å; L442-I444 HydrophobicContact CB-CG1 3.7Å; L442-I444 HydrophobicContact CD1-CD1 3.79Å; L442-I444 HydrophobicContact CG-CD1 4.38Å; L442-I444 PolarHBondContact O-N 3.1Å |
| 443 | N | 87.5 | Confident | 92.4 | Very high | 120 Ų | 120 | 62 Ų | 62 | 64% | 0.642 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 40.6 | -175.6 | -164.6 | 30.1 | 0 | 0 | 0 | 113.3 | L439 A440 T441 | L439-N443 WeakPolarHBondContact O-CA 3.35Å; L439-N443 PolarHBondContact O-N 3.05Å; A440-N443 PolarHBondContact O-N 2.57Å; T441-N443 VanDerWaalsContact C-N 3.27Å |
| 444 | I | 91.2 | Very high | 92.4 | Very high | 79 Ų | 79 | 62.2 Ų | 62.2 | 41% | 0.405 | 34% | 0.341 | S | S | . | . | trans | -88.2 | 115.9 | -179.3 | -61.7 | 170.8 | 0 | 0 | 0 | 108.8 | L439 L442 | L439-I444 HydrophobicContact CD2-CB 3.84Å; L439-I444 HydrophobicContact CD2-CD1 4.45Å; L439-I444 HydrophobicContact CD2-CG2 3.85Å; L439-I444 PolarHBondContact O-N 3.31Å; L442-I444 HydrophobicContact CB-CD1 3.62Å; L442-I444 HydrophobicContact CB-CG1 3.7Å; L442-I444 HydrophobicContact CD1-CD1 3.79Å; L442-I444 HydrophobicContact CG-CD1 4.38Å; L442-I444 PolarHBondContact O-N 3.1Å | ||
| 445 | Q | 88.6 | Confident | 92.4 | Very high | 111 Ų | 111 | 58 Ų | 58 | 52% | 0.519 | 32% | 0.316 | S | S | . | . | trans | -107.3 | 114.9 | 174.9 | -63.3 | -179 | 11.5 | 0 | 0 | 110 | ||||
| 446 | Y | 87.3 | Confident | 92.4 | Very high | 156 Ų | 156 | 56.5 Ų | 56.5 | 61% | 0.612 | 31% | 0.308 | S | S | * | . | B | Isolated β-bridge | trans | -86 | 121.6 | 177.9 | -172.8 | -101.1 | 0 | 0 | 0 | 109.9 | G448 F449 | Y446-G448 PolarHBondContact O-N 3.47Å; Y446-G448 VanDerWaalsContact O-N 3.1Å; Y446-F449 WeakPolarHBondContact O-CB 3.3Å; Y446-F449 PolarHBondContact O-N 3.13Å |
| 447 | L | 88.9 | Confident | 92.4 | Very high | 132 Ų | 132 | 61.1 Ų | 61.1 | 69% | 0.691 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 26.5 | -176.7 | -58.7 | 171.9 | 0 | 0 | 0 | 114.1 | F449 | L447-F449 VanDerWaalsContact C-N 3.26Å; L447-F449 HydrophobicContact CB-CD2 4Å; L447-F449 HydrophobicContact CB-CE2 4.23Å; L447-F449 PolarHBondContact O-N 3.4Å |
| 448 | G | 89 | Confident | 92.6 | Very high | 29 Ų | 29 | 62.5 Ų | 62.5 | 30% | 0.299 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 2.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A237 Y446 | A237-G448 WeakPolarHBondContact CB-O 3.42Å; Y446-G448 PolarHBondContact O-N 3.47Å; Y446-G448 VanDerWaalsContact O-N 3.1Å |
| 449 | F | 93.4 | Very high | 92.7 | Very high | 60 Ų | 60 | 59.2 Ų | 59.2 | 26% | 0.263 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -78.9 | 144.9 | 172.9 | -67.4 | -80.7 | 0 | 0 | 0 | 111.3 | A237 T240 S241 Y446 L447 V453 | A237-F449 HydrophobicContact CB-CD1 4.21Å; A237-F449 HydrophobicContact CB-CE1 4.19Å; A237-F449 HydrophobicContact CB-CG 4.41Å; A237-F449 HydrophobicContact CB-CZ 4.37Å; T240-F449 HydrophobicContact CG2-CE1 3.88Å; S241-F449 WeakPolarHBondContact OG-CA 3.44Å; Y446-F449 WeakPolarHBondContact O-CB 3.3Å; Y446-F449 PolarHBondContact O-N 3.13Å; L447-F449 VanDerWaalsContact C-N 3.26Å; L447-F449 HydrophobicContact CB-CD2 4Å; L447-F449 HydrophobicContact CB-CE2 4.23Å; L447-F449 PolarHBondContact O-N 3.4Å; F449-V453 HydrophobicContact CB-CB 4.11Å; F449-V453 HydrophobicContact CB-CG2 4.3Å; F449-V453 HydrophobicContact CD1-CB 4.44Å; F449-V453 HydrophobicContact CD1-CG1 4.25Å; F449-V453 HydrophobicContact CD1-CG2 4.18Å; F449-V453 HydrophobicContact CG-CB 4.49Å; F449-V453 HydrophobicContact CG-CG1 4.4Å |
| 450 | H | 92.6 | Very high | 92.7 | Very high | 30 Ų | 30 | 60.4 Ų | 60.4 | 14% | 0.139 | 32% | 0.319 | C | S | . | . | trans | -61.5 | 145.4 | 171.1 | -173.8 | -99.7 | 0 | 0 | 0 | 110 | S241 I452 V453 P454 | S241-H450 VanDerWaalsContact CB-CB 3.45Å; S241-H450 PolarHBondContact OG-N 3.18Å; H450-I452 HydrophobicContact CB-CG2 4.23Å; H450-I452 VanDerWaalsContact ND1-CG2 3.3Å; H450-I452 WeakPolarHBondContact ND1-CG2 3.37Å; H450-I452 PolarHBondContact ND1-N 2.94Å; H450-I452 PolarHBondContact O-N 3.42Å; H450-V453 PolarHBondContact O-N 2.86Å; H450-P454 VanDerWaalsContact O-CD 3.32Å; H450-P454 WeakPolarHBondContact O-CD 3.42Å | ||
| 451 | P | 94.7 | Very high | 92.9 | Very high | 5 Ų | 5 | 63.5 Ų | 63.5 | 3% | 0.032 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.9 | -29 | 179.2 | -37 | 39.3 | 0 | 0 | 0 | 116.5 | Y436 L439 A440 V453 P454 S455 | Y436-P451 HydrophobicContact CD2-CB 4.01Å; Y436-P451 HydrophobicContact CE2-CB 4.03Å; L439-P451 HydrophobicContact CB-CB 3.68Å; L439-P451 HydrophobicContact CB-CG 4.04Å; A440-P451 HydrophobicContact CB-CB 4.37Å; A440-P451 HydrophobicContact CB-CG 4.37Å; P451-V453 VanDerWaalsContact C-N 3.34Å; P451-V453 PolarHBondContact O-N 3.17Å; P451-P454 WeakPolarHBondContact O-CD 3.28Å; P451-P454 WeakPolarHBondContact O-CG 3.43Å; P451-S455 VanDerWaalsContact O-CB 3.27Å; P451-S455 WeakPolarHBondContact O-CB 3.37Å; P451-S455 PolarHBondContact O-N 2.85Å; P451-S455 PolarHBondContact O-OG 3.07Å |
| 452 | I | 94.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.8 | -36.8 | -179.8 | -165.4 | 56.4 | 0 | 0 | 0 | 113.4 | V244 L245 G401 E404 A405 Y436 H450 S455 L456 | V244-I452 HydrophobicContact CG1-CG2 4.3Å; L245-I452 HydrophobicContact CB-CG2 4.21Å; L245-I452 HydrophobicContact CD1-CB 4.28Å; L245-I452 HydrophobicContact CD1-CG1 4.08Å; L245-I452 HydrophobicContact CD1-CG2 4.26Å; G401-I452 WeakPolarHBondContact O-CD1 3.46Å; E404-I452 HydrophobicContact CB-CD1 4.12Å; A405-I452 HydrophobicContact CB-CD1 4.06Å; Y436-I452 HydrophobicContact CD2-CB 4.29Å; Y436-I452 HydrophobicContact CD2-CD1 3.96Å; Y436-I452 HydrophobicContact CE2-CB 3.95Å; Y436-I452 HydrophobicContact CE2-CD1 4.04Å; H450-I452 HydrophobicContact CB-CG2 4.23Å; H450-I452 VanDerWaalsContact ND1-CG2 3.3Å; H450-I452 WeakPolarHBondContact ND1-CG2 3.37Å; H450-I452 PolarHBondContact ND1-N 2.94Å; H450-I452 PolarHBondContact O-N 3.42Å; I452-S455 PolarHBondContact O-N 3.26Å; I452-L456 HydrophobicContact CD1-CD1 4.1Å; I452-L456 HydrophobicContact CD1-CD2 4.44Å; I452-L456 HydrophobicContact CD1-CG 3.92Å; I452-L456 HydrophobicContact CG1-CD1 3.82Å; I452-L456 HydrophobicContact CG1-CG 4.09Å; I452-L456 WeakPolarHBondContact O-CB 3.07Å; I452-L456 WeakPolarHBondContact O-CG 3.48Å; I452-L456 PolarHBondContact O-N 3.12Å |
| 453 | V | 95.2 | Very high | 93.3 | Very high | 30 Ų | 30 | 53 Ų | 53 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.4 | -56 | -175.3 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | V244 F449 H450 P451 S455 L456 L457 | V244-V453 HydrophobicContact CB-CG2 4.19Å; V244-V453 HydrophobicContact CG1-CG2 4.36Å; V244-V453 HydrophobicContact CG2-CG2 4.17Å; F449-V453 HydrophobicContact CB-CB 4.11Å; F449-V453 HydrophobicContact CB-CG2 4.3Å; F449-V453 HydrophobicContact CD1-CB 4.44Å; F449-V453 HydrophobicContact CD1-CG1 4.25Å; F449-V453 HydrophobicContact CD1-CG2 4.18Å; F449-V453 HydrophobicContact CG-CB 4.49Å; F449-V453 HydrophobicContact CG-CG1 4.4Å; H450-V453 PolarHBondContact O-N 2.86Å; P451-V453 VanDerWaalsContact C-N 3.34Å; P451-V453 PolarHBondContact O-N 3.17Å; V453-S455 PolarHBondContact O-N 3.11Å; V453-L456 PolarHBondContact O-N 2.82Å; V453-L457 WeakPolarHBondContact O-CB 3.4Å; V453-L457 PolarHBondContact O-N 2.96Å |
| 454 | P | 95.3 | Very high | 93.5 | Very high | 25 Ų | 25 | 50.7 Ų | 50.7 | 16% | 0.162 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.5 | -31.8 | 175.6 | 26.2 | -34.5 | 0 | 0 | 0 | 112.1 | L439 H450 P451 L457 L458 | L439-P454 HydrophobicContact CD1-CB 4.45Å; L439-P454 HydrophobicContact CD1-CG 3.78Å; H450-P454 VanDerWaalsContact O-CD 3.32Å; H450-P454 WeakPolarHBondContact O-CD 3.42Å; P451-P454 WeakPolarHBondContact O-CD 3.28Å; P451-P454 WeakPolarHBondContact O-CG 3.43Å; P454-L457 PolarHBondContact O-N 3.46Å; P454-L458 WeakPolarHBondContact O-CB 3.31Å; P454-L458 PolarHBondContact O-N 3.49Å |
| 455 | S | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.5 | -45.9 | 177.8 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | Y436 P451 I452 V453 S459 | Y436-S455 VanDerWaalsContact CA-OG 3.25Å; Y436-S455 WeakPolarHBondContact CA-OG 3.17Å; Y436-S455 PolarHBondContact N-OG 3.12Å; P451-S455 VanDerWaalsContact O-CB 3.27Å; P451-S455 WeakPolarHBondContact O-CB 3.37Å; P451-S455 PolarHBondContact O-N 2.85Å; P451-S455 PolarHBondContact O-OG 3.07Å; I452-S455 PolarHBondContact O-N 3.26Å; V453-S455 PolarHBondContact O-N 3.11Å; S455-S459 WeakPolarHBondContact O-CB 3.24Å; S455-S459 PolarHBondContact O-N 2.96Å |
| 456 | L | 96.1 | Very high | 92.9 | Very high | 9 Ų | 9 | 49.6 Ų | 49.6 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69 | -36.6 | 176.5 | -72.4 | 178 | 0 | 0 | 0 | 112.2 | V244 L408 W409 I452 V453 S459 L460 | V244-L456 HydrophobicContact CG1-CD1 3.53Å; L408-L456 HydrophobicContact CB-CD2 4.08Å; L408-L456 HydrophobicContact CD2-CD1 3.77Å; L408-L456 HydrophobicContact CD2-CD2 3.79Å; L408-L456 HydrophobicContact CD2-CG 4.36Å; W409-L456 PolarHBondContact NE1-O 3.48Å; I452-L456 HydrophobicContact CD1-CD1 4.1Å; I452-L456 HydrophobicContact CD1-CD2 4.44Å; I452-L456 HydrophobicContact CD1-CG 3.92Å; I452-L456 HydrophobicContact CG1-CD1 3.82Å; I452-L456 HydrophobicContact CG1-CG 4.09Å; I452-L456 WeakPolarHBondContact O-CB 3.07Å; I452-L456 WeakPolarHBondContact O-CG 3.48Å; I452-L456 PolarHBondContact O-N 3.12Å; V453-L456 PolarHBondContact O-N 2.82Å; L456-S459 PolarHBondContact O-N 2.7Å; L456-L460 WeakPolarHBondContact O-CB 3.31Å; L456-L460 PolarHBondContact O-N 3.42Å |
| 457 | L | 95.6 | Very high | 92.2 | Very high | 103 Ų | 103 | 42.2 Ų | 42.2 | 54% | 0.539 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.4 | -46.9 | 177.9 | -171.8 | 138.3 | 0 | 0 | 0 | 111.6 | V453 P454 L460 L461 | V453-L457 WeakPolarHBondContact O-CB 3.4Å; V453-L457 PolarHBondContact O-N 2.96Å; P454-L457 PolarHBondContact O-N 3.46Å; L457-L460 PolarHBondContact O-N 2.81Å; L457-L461 HydrophobicContact CD2-CD1 3.99Å; L457-L461 WeakPolarHBondContact O-CG 3.44Å; L457-L461 PolarHBondContact O-N 3.07Å |
| 458 | L | 96.1 | Very high | 91.1 | Very high | 78 Ų | 78 | 40.6 Ų | 40.6 | 41% | 0.408 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -72.1 | -32.4 | 177.2 | -71.4 | 176 | 0 | 0 | 0 | 112.5 | V431 L435 P454 L460 L461 A462 | V431-L458 HydrophobicContact CG1-CB 4.17Å; L435-L458 HydrophobicContact CD2-CB 3.92Å; L435-L458 HydrophobicContact CD2-CD1 3.4Å; L435-L458 VanDerWaalsContact CD2-CD1 3.4Å; L435-L458 HydrophobicContact CD2-CG 4.2Å; P454-L458 WeakPolarHBondContact O-CB 3.31Å; P454-L458 PolarHBondContact O-N 3.49Å; L458-L460 VanDerWaalsContact C-N 3.35Å; L458-L461 HydrophobicContact CD2-CD1 4.2Å; L458-L461 PolarHBondContact O-N 2.87Å; L458-A462 VanDerWaalsContact O-CB 3.31Å; L458-A462 WeakPolarHBondContact O-CB 3.18Å; L458-A462 PolarHBondContact O-N 3.27Å |
| 459 | S | 96.3 | Very high | 90 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.8 | -40.7 | 171.1 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | A428 S455 L456 A462 F463 | A428-S459 VanDerWaalsContact C-OG 3.31Å; A428-S459 WeakPolarHBondContact CA-OG 3.44Å; A428-S459 WeakPolarHBondContact CB-O 3.48Å; A428-S459 WeakPolarHBondContact CB-OG 3.32Å; A428-S459 PolarHBondContact O-OG 3.31Å; S455-S459 WeakPolarHBondContact O-CB 3.24Å; S455-S459 PolarHBondContact O-N 2.96Å; L456-S459 PolarHBondContact O-N 2.7Å; S459-A462 PolarHBondContact O-N 3.08Å; S459-F463 PolarHBondContact O-N 2.84Å |
| 460 | L | 96.5 | Very high | 89.3 | Confident | 46 Ų | 46 | 40.6 Ų | 40.6 | 24% | 0.241 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.3 | -48.3 | 174 | 178.6 | 59.4 | 0 | 0 | 0 | 111.3 | W409 L413 L456 L457 L458 A462 F463 L464 | W409-L460 HydrophobicContact CD2-CB 4.18Å; W409-L460 HydrophobicContact CD2-CD1 3.88Å; W409-L460 HydrophobicContact CE3-CD1 3.85Å; W409-L460 HydrophobicContact CG-CB 4.46Å; W409-L460 HydrophobicContact CG-CD1 4.41Å; W409-L460 HydrophobicContact CH2-CD1 4.32Å; W409-L460 HydrophobicContact CH2-CD2 3.98Å; W409-L460 HydrophobicContact CZ2-CB 3.92Å; W409-L460 HydrophobicContact CZ2-CD1 4.34Å; W409-L460 HydrophobicContact CZ2-CD2 3.96Å; W409-L460 HydrophobicContact CZ2-CG 4.3Å; W409-L460 HydrophobicContact CZ3-CD1 4.08Å; W409-L460 HydrophobicContact CZ3-CD2 4.48Å; L413-L460 HydrophobicContact CD1-CD1 3.94Å; L456-L460 WeakPolarHBondContact O-CB 3.31Å; L456-L460 PolarHBondContact O-N 3.42Å; L457-L460 PolarHBondContact O-N 2.81Å; L458-L460 VanDerWaalsContact C-N 3.35Å; L460-A462 VanDerWaalsContact C-N 3.32Å; L460-A462 PolarHBondContact O-N 2.81Å; L460-F463 WeakPolarHBondContact O-CB 3.21Å; L460-F463 PolarHBondContact O-N 3.36Å; L460-F463 VanDerWaalsContact O-N 3.13Å; L460-L464 HydrophobicContact CD1-CD1 4.14Å; L460-L464 HydrophobicContact CD1-CG 4.15Å; L460-L464 HydrophobicContact CG-CD1 4.08Å; L460-L464 HydrophobicContact CG-CG 4.46Å; L460-L464 WeakPolarHBondContact O-CG 3.38Å; L460-L464 PolarHBondContact O-N 2.83Å |
| 461 | L | 95.6 | Very high | 89 | Confident | 88 Ų | 88 | 40.1 Ų | 40.1 | 46% | 0.461 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.2 | -44.1 | 178.2 | -70 | 175.9 | 0 | 0 | 0 | 111.2 | L457 L458 F463 L464 S465 | L457-L461 HydrophobicContact CD2-CD1 3.99Å; L457-L461 WeakPolarHBondContact O-CG 3.44Å; L457-L461 PolarHBondContact O-N 3.07Å; L458-L461 HydrophobicContact CD2-CD1 4.2Å; L458-L461 PolarHBondContact O-N 2.87Å; L461-F463 VanDerWaalsContact C-N 3.32Å; L461-F463 PolarHBondContact O-N 3.29Å; L461-L464 PolarHBondContact O-N 3.44Å; L461-S465 WeakPolarHBondContact O-CB 3.46Å; L461-S465 PolarHBondContact O-N 2.9Å; L461-S465 PolarHBondContact O-OG 2.91Å; L461-S465 VanDerWaalsContact O-OG 3.05Å |
| 462 | A | 95.1 | Very high | 88.7 | Confident | 12 Ų | 12 | 41 Ų | 41 | 10% | 0.099 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.2 | -40.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S427 V431 L458 S459 L460 F466 | S427-A462 VanDerWaalsContact OG-C 3.26Å; S427-A462 PolarHBondContact OG-O 3.3Å; V431-A462 HydrophobicContact CB-CB 4.01Å; V431-A462 HydrophobicContact CG1-CB 4.25Å; V431-A462 HydrophobicContact CG2-CB 3.83Å; L458-A462 VanDerWaalsContact O-CB 3.31Å; L458-A462 WeakPolarHBondContact O-CB 3.18Å; L458-A462 PolarHBondContact O-N 3.27Å; S459-A462 PolarHBondContact O-N 3.08Å; L460-A462 VanDerWaalsContact C-N 3.32Å; L460-A462 PolarHBondContact O-N 2.81Å; A462-F466 WeakPolarHBondContact O-CD2 3.29Å; A462-F466 PolarHBondContact O-N 2.56Å |
| 463 | F | 94.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.4 | -52.6 | 174.4 | -163 | -70.6 | 0 | 0 | 0 | 110.6 | W409 L413 W417 A420 G424 A425 A428 S459 L460 L461 S465 F466 A467 | W409-F463 HydrophobicContact CB-CD2 4.1Å; L413-F463 HydrophobicContact CB-CE1 4.01Å; L413-F463 HydrophobicContact CB-CE2 4.34Å; L413-F463 HydrophobicContact CB-CZ 3.92Å; L413-F463 HydrophobicContact CD1-CB 4.24Å; L413-F463 HydrophobicContact CD1-CD1 3.44Å; L413-F463 VanDerWaalsContact CD1-CD1 3.44Å; L413-F463 HydrophobicContact CD1-CD2 4.09Å; L413-F463 HydrophobicContact CD1-CE1 3.77Å; L413-F463 HydrophobicContact CD1-CE2 4.35Å; L413-F463 HydrophobicContact CD1-CG 3.65Å; L413-F463 HydrophobicContact CD1-CZ 4.23Å; W417-F463 HydrophobicContact CE3-CD1 4.22Å; W417-F463 AromaticContact CE3-CE1 3.75Å; W417-F463 HydrophobicContact CE3-CE1 3.75Å; W417-F463 AromaticContact CZ3-CD1 3.76Å; W417-F463 HydrophobicContact CZ3-CD1 3.76Å; W417-F463 AromaticContact CZ3-CE1 3.63Å; W417-F463 HydrophobicContact CZ3-CE1 3.63Å; A420-F463 HydrophobicContact CB-CE1 3.97Å; A420-F463 HydrophobicContact CB-CZ 3.77Å; G424-F463 WeakPolarHBondContact O-CA 3.02Å; G424-F463 VanDerWaalsContact O-CD2 3.23Å; G424-F463 WeakPolarHBondContact O-CD2 3.36Å; A425-F463 VanDerWaalsContact CA-CE2 3.43Å; A425-F463 HydrophobicContact CB-CE2 3.79Å; A425-F463 HydrophobicContact CB-CZ 4.38Å; A428-F463 HydrophobicContact CB-CB 3.8Å; A428-F463 HydrophobicContact CB-CD2 3.63Å; A428-F463 HydrophobicContact CB-CG 4.19Å; S459-F463 PolarHBondContact O-N 2.84Å; L460-F463 WeakPolarHBondContact O-CB 3.21Å; L460-F463 PolarHBondContact O-N 3.36Å; L460-F463 VanDerWaalsContact O-N 3.13Å; L461-F463 VanDerWaalsContact C-N 3.32Å; L461-F463 PolarHBondContact O-N 3.29Å; F463-S465 PolarHBondContact O-N 3.42Å; F463-F466 PolarHBondContact O-N 3.03Å; F463-A467 HydrophobicContact CD1-CB 4.15Å; F463-A467 HydrophobicContact CE1-CB 4.1Å; F463-A467 WeakPolarHBondContact O-CB 3.36Å; F463-A467 PolarHBondContact O-N 2.75Å |
| 464 | L | 90.7 | Very high | 88.4 | Confident | 71 Ų | 71 | 41.3 Ų | 41.3 | 37% | 0.372 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.2 | -39.6 | -174.4 | -65.3 | 175.4 | 0 | 0 | 0 | 112.1 | W417 L460 L461 F466 | W417-L464 HydrophobicContact CE3-CD2 4.49Å; W417-L464 HydrophobicContact CH2-CD2 3.57Å; W417-L464 HydrophobicContact CZ2-CD2 4.29Å; W417-L464 HydrophobicContact CZ3-CD2 3.68Å; L460-L464 HydrophobicContact CD1-CD1 4.14Å; L460-L464 HydrophobicContact CD1-CG 4.15Å; L460-L464 HydrophobicContact CG-CD1 4.08Å; L460-L464 HydrophobicContact CG-CG 4.46Å; L460-L464 WeakPolarHBondContact O-CG 3.38Å; L460-L464 PolarHBondContact O-N 2.83Å; L461-L464 PolarHBondContact O-N 3.44Å; L464-F466 PolarHBondContact O-N 3.35Å |
| 465 | S | 85.7 | Confident | 88.1 | Confident | 72 Ų | 72 | 40.2 Ų | 40.2 | 50% | 0.503 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.3 | -37.5 | 179.3 | -64.1 | 0 | 0 | 0 | 0 | 113.1 | L461 F463 M468 | L461-S465 WeakPolarHBondContact O-CB 3.46Å; L461-S465 PolarHBondContact O-N 2.9Å; L461-S465 PolarHBondContact O-OG 2.91Å; L461-S465 VanDerWaalsContact O-OG 3.05Å; F463-S465 PolarHBondContact O-N 3.42Å; S465-M468 WeakPolarHBondContact O-CE 3.38Å |
| 466 | F | 82.7 | Confident | 87.6 | Confident | 95 Ų | 95 | 45.3 Ų | 45.3 | 42% | 0.417 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -98.7 | -2.2 | -177.3 | -72.7 | -87.7 | 0 | 0 | 0 | 113.7 | N421 K423 G424 A462 F463 L464 M468 | N421-F466 PolarHBondContact ND2-O 3.33Å; N421-F466 PolarHBondContact OD1-O 3.11Å; K423-F466 HydrophobicContact CB-CB 4.38Å; G424-F466 PolarHBondContact N-O 3.48Å; A462-F466 WeakPolarHBondContact O-CD2 3.29Å; A462-F466 PolarHBondContact O-N 2.56Å; F463-F466 PolarHBondContact O-N 3.03Å; L464-F466 PolarHBondContact O-N 3.35Å; F466-M468 PolarHBondContact O-N 3.48Å |
| 467 | A | 71.1 | Confident | 87 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 2% | 0.017 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -76.3 | -8.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | W417 N421 F463 P469 | W417-A467 HydrophobicContact CH2-CB 3.56Å; W417-A467 HydrophobicContact CZ3-CB 3.4Å; W417-A467 VanDerWaalsContact CZ3-CB 3.4Å; N421-A467 VanDerWaalsContact ND2-C 3.32Å; N421-A467 WeakPolarHBondContact ND2-CA 3.39Å; N421-A467 PolarHBondContact ND2-O 3.49Å; N421-A467 VanDerWaalsContact ND2-O 3.09Å; F463-A467 HydrophobicContact CD1-CB 4.15Å; F463-A467 HydrophobicContact CE1-CB 4.1Å; F463-A467 WeakPolarHBondContact O-CB 3.36Å; F463-A467 PolarHBondContact O-N 2.75Å; A467-P469 VanDerWaalsContact O-CD 3.28Å; A467-P469 WeakPolarHBondContact O-CD 3.37Å |
| 468 | M | 65.6 | Low | 86.4 | Confident | 97 Ų | 97 | 43.6 Ų | 43.6 | 48% | 0.478 | 23% | 0.228 | S | C | . | . | trans | -83.5 | 113 | 175.9 | -60.9 | -172 | -65.7 | 0 | 0 | 109.4 | S465 F466 A529 | S465-M468 WeakPolarHBondContact O-CE 3.38Å; F466-M468 PolarHBondContact O-N 3.48Å; M468-A529 HydrophobicContact CB-CB 4.06Å; M468-A529 WeakPolarHBondContact O-CB 3.39Å | ||
| 469 | P | 67.4 | Low | 85.4 | Confident | 14 Ų | 14 | 40.9 Ų | 40.9 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | trans | -101.4 | -34.4 | -174 | 20.7 | -4 | 0 | 0 | 0 | 113 | A467 A529 D559 | A467-P469 VanDerWaalsContact O-CD 3.28Å; A467-P469 WeakPolarHBondContact O-CD 3.37Å; P469-A529 PolarHBondContact O-N 3.34Å; P469-A529 VanDerWaalsContact O-N 3.09Å; P469-D559 HydrophobicContact CB-CB 4.44Å; P469-D559 HydrophobicContact CG-CB 3.57Å | ||
| 470 | W | 78.3 | Confident | 84.5 | Confident | 75 Ų | 75 | 45 Ų | 45 | 28% | 0.284 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 147.6 | -170.2 | -54.7 | 106.4 | 0 | 0 | 0 | 113.2 | V495 L526 F527 L557 | W470-V495 HydrophobicContact CZ3-CB 4.25Å; W470-V495 HydrophobicContact CZ3-CG1 4.49Å; W470-V495 HydrophobicContact CZ3-CG2 4.08Å; W470-L526 HydrophobicContact CB-CD1 3.7Å; W470-L526 HydrophobicContact CB-CG 4.22Å; W470-L526 HydrophobicContact CD2-CD1 4.48Å; W470-L526 HydrophobicContact CD2-CD2 3.84Å; W470-L526 HydrophobicContact CD2-CG 4.08Å; W470-L526 HydrophobicContact CE3-CD1 4.48Å; W470-L526 HydrophobicContact CE3-CD2 3.75Å; W470-L526 HydrophobicContact CE3-CG 3.73Å; W470-L526 HydrophobicContact CG-CD1 4.18Å; W470-L526 HydrophobicContact CG-CD2 4.21Å; W470-L526 HydrophobicContact CG-CG 4.3Å; W470-L526 HydrophobicContact CZ3-CD2 4.22Å; W470-L526 HydrophobicContact CZ3-CG 4.43Å; W470-F527 CarbonylContact C-O 3.58Å; W470-F527 WeakPolarHBondContact CA-O 3.4Å; W470-L557 HydrophobicContact CB-CB 4.2Å; W470-L557 PolarHBondContact O-N 3.24Å |
| 471 | I | 85.2 | Confident | 84 | Confident | 21 Ų | 21 | 45.4 Ų | 45.4 | 11% | 0.108 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 135 | 167 | -62.4 | 164.8 | 0 | 0 | 0 | 106.6 | F527 M533 I554 | I471-F527 PolarHBondContact N-O 3.23Å; I471-F527 PolarHBondContact O-N 2.7Å; I471-M533 HydrophobicContact CB-SD 4.33Å; I471-M533 HydrophobicContact CD1-CG 4.13Å; I471-M533 HydrophobicContact CG2-CE 4.37Å; I471-M533 HydrophobicContact CG2-CG 3.88Å; I471-M533 HydrophobicContact CG2-SD 3.87Å; I471-I554 HydrophobicContact CG2-CG2 3.53Å |
| 472 | Q | 89.8 | Confident | 83.5 | Confident | 22 Ų | 22 | 41.2 Ų | 41.2 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 138 | 173.1 | 70.5 | -178.1 | 2.4 | 0 | 0 | 110.6 | K474 I524 G525 L526 I554 E555 L557 | Q472-K474 VanDerWaalsContact NE2-CE 3.27Å; Q472-I524 HydrophobicContact CB-CG2 3.82Å; Q472-I524 HydrophobicContact CG-CG2 4.37Å; Q472-G525 CarbonylContact C-O 3.29Å; Q472-G525 VanDerWaalsContact CA-O 3.3Å; Q472-G525 WeakPolarHBondContact CA-O 3.34Å; Q472-L526 HydrophobicContact CB-CD1 4.3Å; Q472-I554 WeakPolarHBondContact O-CA 3.39Å; Q472-E555 HydrophobicContact CG-CB 3.84Å; Q472-E555 WeakPolarHBondContact CG-O 3.08Å; Q472-E555 PolarHBondContact N-O 3.01Å; Q472-E555 PolarHBondContact NE2-OE2 2.82Å; Q472-E555 PolarHBondContact O-N 2.7Å; Q472-L557 HydrophobicContact CB-CB 4.42Å; Q472-L557 HydrophobicContact CG-CB 4.36Å |
| 473 | L | 91.6 | Very high | 83 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 115.6 | 171.5 | 178.1 | 63.2 | 0 | 0 | 0 | 108.5 | L475 L489 I524 G525 F527 M533 V536 L540 H552 I554 | L473-L475 HydrophobicContact CD1-CD2 4.39Å; L473-L475 HydrophobicContact CD2-CD2 4.46Å; L473-L475 HydrophobicContact CG-CD2 4.14Å; L473-L489 HydrophobicContact CD2-CD2 3.8Å; L473-L489 HydrophobicContact CG-CD2 4.38Å; L473-I524 CarbonylContact O-C 3.59Å; L473-I524 WeakPolarHBondContact O-CA 3.28Å; L473-G525 PolarHBondContact N-O 3.15Å; L473-G525 PolarHBondContact O-N 3.24Å; L473-F527 HydrophobicContact CB-CD2 4.38Å; L473-F527 HydrophobicContact CB-CE2 3.89Å; L473-F527 HydrophobicContact CD2-CE2 4.42Å; L473-M533 HydrophobicContact CB-CE 3.9Å; L473-M533 HydrophobicContact CD2-CE 4.21Å; L473-M533 HydrophobicContact CG-CE 4.47Å; L473-V536 HydrophobicContact CD2-CG1 3.95Å; L473-L540 HydrophobicContact CD2-CD1 3.41Å; L473-L540 VanDerWaalsContact CD2-CD1 3.41Å; L473-H552 HydrophobicContact CD1-CB 3.91Å; L473-I554 HydrophobicContact CD1-CD1 4.41Å; L473-I554 HydrophobicContact CD1-CG1 3.56Å |
| 474 | K | 90.5 | Very high | 82.6 | Confident | 38 Ų | 38 | 48.7 Ų | 48.7 | 17% | 0.165 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 129.1 | 178.1 | -57.8 | -172.5 | 162.5 | 160.1 | 0 | 110.9 | Q472 I524 K553 E555 | Q472-K474 VanDerWaalsContact NE2-CE 3.27Å; K474-I524 HydrophobicContact CD-CD1 4.35Å; K474-I524 HydrophobicContact CD-CG1 4.49Å; K474-I524 HydrophobicContact CG-CB 4.48Å; K474-I524 HydrophobicContact CG-CD1 4.31Å; K474-I524 HydrophobicContact CG-CG1 3.96Å; K474-I524 HydrophobicContact CG-CG2 4.03Å; K474-K553 HydrophobicContact CB-CB 4.31Å; K474-K553 PolarHBondContact N-O 2.87Å; K474-K553 PolarHBondContact O-N 2.98Å; K474-K553 VanDerWaalsContact O-N 3.09Å; K474-E555 WeakPolarHBondContact CE-OE2 3.38Å; K474-E555 IonicContact NZ-OE2 3.44Å; K474-E555 PolarHBondContact NZ-OE2 2.9Å |
| 475 | L | 88.8 | Confident | 82.6 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 127.3 | 175.4 | -52.4 | -176.9 | 0 | 0 | 0 | 109.2 | L473 L489 D522 V523 L546 F550 H552 | L473-L475 HydrophobicContact CD1-CD2 4.39Å; L473-L475 HydrophobicContact CD2-CD2 4.46Å; L473-L475 HydrophobicContact CG-CD2 4.14Å; L475-L489 HydrophobicContact CD1-CD1 3.92Å; L475-L489 HydrophobicContact CD1-CD2 3.99Å; L475-L489 HydrophobicContact CD1-CG 3.99Å; L475-L489 HydrophobicContact CG-CD1 4.46Å; L475-D522 CarbonylContact O-C 3.58Å; L475-D522 WeakPolarHBondContact O-CA 3.39Å; L475-V523 PolarHBondContact N-O 3.33Å; L475-V523 PolarHBondContact O-N 2.8Å; L475-L546 HydrophobicContact CD1-CD1 4.18Å; L475-F550 HydrophobicContact CD2-CD2 3.95Å; L475-F550 HydrophobicContact CD2-CE2 3.4Å; L475-F550 VanDerWaalsContact CD2-CE2 3.4Å; L475-F550 HydrophobicContact CD2-CZ 4.45Å; L475-H552 HydrophobicContact CD2-CB 3.79Å |
| 476 | N | 85.5 | Confident | 82.7 | Confident | 108 Ų | 108 | 42.6 Ų | 42.6 | 58% | 0.578 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 130.5 | 173.1 | -81.4 | -147 | 0 | 0 | 0 | 109.2 | D522 | N476-D522 VanDerWaalsContact ND2-CG 3.32Å; N476-D522 PolarHBondContact ND2-OD1 3.21Å; N476-D522 PolarHBondContact ND2-OD2 2.83Å |
| 477 | T | 85.2 | Confident | 83.1 | Confident | 20 Ų | 20 | 42.3 Ų | 42.3 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | -174.4 | -179.2 | -165 | 0 | 0 | 0 | 0 | 111.7 | N481 A482 L485 T521 V523 | T477-N481 WeakPolarHBondContact OG1-CB 3.4Å; T477-A482 HydrophobicContact CG2-CB 3.92Å; T477-L485 HydrophobicContact CG2-CD1 3.94Å; T477-L485 WeakPolarHBondContact OG1-CD1 3.38Å; T477-T521 CarbonylContact C-O 3.58Å; T477-T521 WeakPolarHBondContact CG2-O 3.43Å; T477-T521 PolarHBondContact N-O 3.27Å; T477-T521 PolarHBondContact O-N 3.19Å; T477-T521 VanDerWaalsContact O-O 3.08Å; T477-V523 HydrophobicContact CG2-CG2 3.48Å; T477-V523 VanDerWaalsContact CG2-CG2 3.48Å |
| 478 | T | 81.1 | Confident | 84 | Confident | 55 Ų | 55 | 42.6 Ų | 42.6 | 34% | 0.337 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 157.2 | 173 | 63.6 | 0 | 0 | 0 | 0 | 111.3 | A480 N481 A482 G519 | T478-A480 PolarHBondContact O-N 3.09Å; T478-A480 VanDerWaalsContact O-N 3.07Å; T478-N481 PolarHBondContact O-N 3.42Å; T478-A482 PolarHBondContact O-N 3.34Å; T478-G519 WeakPolarHBondContact CA-O 3.41Å; T478-G519 WeakPolarHBondContact CB-O 3.34Å |
| 479 | G | 75.2 | Confident | 85.2 | Confident | 21 Ų | 21 | 38 Ų | 38 | 22% | 0.216 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -24.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | N481 W518 G519 | G479-N481 VanDerWaalsContact C-N 3.34Å; G479-W518 WeakPolarHBondContact CA-O 3.17Å; G479-W518 PolarHBondContact N-O 2.75Å; G479-G519 PolarHBondContact N-O 3.18Å; G479-G519 VanDerWaalsContact N-O 3.16Å |
| 480 | A | 79.2 | Confident | 86.2 | Confident | 87 Ų | 87 | 42.3 Ų | 42.3 | 72% | 0.719 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -26.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T478 | T478-A480 PolarHBondContact O-N 3.09Å; T478-A480 VanDerWaalsContact O-N 3.07Å |
| 481 | N | 84.8 | Confident | 86.8 | Confident | 54 Ų | 54 | 47.1 Ų | 47.1 | 29% | 0.289 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | -5.9 | -174.3 | -70 | -8.9 | 0 | 0 | 0 | 112.8 | T477 T478 G479 E483 D484 L485 L545 | T477-N481 WeakPolarHBondContact OG1-CB 3.4Å; T478-N481 PolarHBondContact O-N 3.42Å; G479-N481 VanDerWaalsContact C-N 3.34Å; N481-E483 PolarHBondContact O-N 2.93Å; N481-D484 PolarHBondContact O-N 3.45Å; N481-L485 PolarHBondContact O-N 3.46Å; N481-L485 VanDerWaalsContact O-N 3.15Å; N481-L545 HydrophobicContact CB-CD1 4.05Å |
| 482 | A | 85.7 | Confident | 87 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65 | -39.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T477 T478 L485 S486 F499 L517 T521 V523 | T477-A482 HydrophobicContact CG2-CB 3.92Å; T478-A482 PolarHBondContact O-N 3.34Å; A482-L485 PolarHBondContact O-N 3.19Å; A482-S486 WeakPolarHBondContact O-CB 3.29Å; A482-S486 PolarHBondContact O-N 3.47Å; A482-F499 HydrophobicContact CB-CD1 4.16Å; A482-F499 HydrophobicContact CB-CE1 3.91Å; A482-L517 HydrophobicContact CB-CD1 3.89Å; A482-T521 HydrophobicContact CB-CG2 4.3Å; A482-V523 HydrophobicContact CB-CG2 3.89Å |
| 483 | E | 84.3 | Confident | 87 | Confident | 83 Ų | 83 | 47.7 Ų | 47.7 | 39% | 0.388 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65 | -45 | 175.4 | -70.5 | -72.2 | -173.9 | 0 | 0 | 111.8 | N481 L485 S486 D487 L517 | N481-E483 PolarHBondContact O-N 2.93Å; E483-L485 VanDerWaalsContact C-N 3.29Å; E483-L485 PolarHBondContact O-N 3.4Å; E483-S486 WeakPolarHBondContact O-CA 3.39Å; E483-S486 VanDerWaalsContact O-CB 3.26Å; E483-S486 WeakPolarHBondContact O-CB 3.49Å; E483-S486 PolarHBondContact O-N 3.01Å; E483-D487 PolarHBondContact O-N 2.99Å; E483-L517 HydrophobicContact CG-CD1 3.94Å |
| 484 | D | 86.8 | Confident | 86.9 | Confident | 87 Ų | 87 | 48.1 Ų | 48.1 | 47% | 0.465 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.5 | -39.5 | 177.9 | -69.9 | -12 | 0 | 0 | 0 | 111.9 | N481 A488 L545 | N481-D484 PolarHBondContact O-N 3.45Å; D484-A488 PolarHBondContact O-N 3.2Å; D484-A488 VanDerWaalsContact O-N 3.08Å; D484-L545 HydrophobicContact CB-CD1 3.89Å |
| 485 | L | 89.7 | Confident | 86.6 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -74.3 | -29.8 | 175.6 | -69 | -175.7 | 0 | 0 | 0 | 113 | T477 N481 A482 E483 A488 L489 V523 L545 L546 | T477-L485 HydrophobicContact CG2-CD1 3.94Å; T477-L485 WeakPolarHBondContact OG1-CD1 3.38Å; N481-L485 PolarHBondContact O-N 3.46Å; N481-L485 VanDerWaalsContact O-N 3.15Å; A482-L485 PolarHBondContact O-N 3.19Å; E483-L485 VanDerWaalsContact C-N 3.29Å; E483-L485 PolarHBondContact O-N 3.4Å; L485-A488 PolarHBondContact O-N 3.22Å; L485-L489 WeakPolarHBondContact O-CB 3.42Å; L485-L489 WeakPolarHBondContact O-CG 3.26Å; L485-L489 PolarHBondContact O-N 2.83Å; L485-V523 HydrophobicContact CB-CG2 4.45Å; L485-L545 HydrophobicContact CD2-CB 4.15Å; L485-L545 HydrophobicContact CD2-CD1 4.26Å; L485-L545 HydrophobicContact CG-CD1 4.35Å; L485-L546 HydrophobicContact CD1-CD2 4.29Å; L485-L546 HydrophobicContact CD2-CD1 4.01Å; L485-L546 HydrophobicContact CD2-CD2 3.99Å; L485-L546 HydrophobicContact CD2-CG 3.8Å |
| 486 | S | 89 | Confident | 86.6 | Confident | 12 Ų | 12 | 53 Ų | 53 | 8% | 0.084 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 172 | 168.8 | 0 | 0 | 0 | 0 | 110.5 | A482 E483 A488 L489 M490 | A482-S486 WeakPolarHBondContact O-CB 3.29Å; A482-S486 PolarHBondContact O-N 3.47Å; E483-S486 WeakPolarHBondContact O-CA 3.39Å; E483-S486 VanDerWaalsContact O-CB 3.26Å; E483-S486 WeakPolarHBondContact O-CB 3.49Å; E483-S486 PolarHBondContact O-N 3.01Å; S486-A488 PolarHBondContact O-N 3.27Å; S486-L489 PolarHBondContact O-N 3.37Å; S486-M490 WeakPolarHBondContact O-CG 3.45Å; S486-M490 PolarHBondContact O-N 2.83Å |
| 487 | D | 89.5 | Confident | 86.7 | Confident | 90 Ų | 90 | 49.5 Ų | 49.5 | 48% | 0.481 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 175.4 | -75.4 | -14 | 0 | 0 | 0 | 111.3 | E483 L489 M490 E491 | E483-D487 PolarHBondContact O-N 2.99Å; D487-L489 VanDerWaalsContact C-N 3.34Å; D487-L489 PolarHBondContact O-N 3.19Å; D487-M490 PolarHBondContact O-N 3.48Å; D487-E491 WeakPolarHBondContact O-CG 3.2Å; D487-E491 PolarHBondContact O-N 3.18Å |
| 488 | A | 90.2 | Very high | 86.8 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 7% | 0.066 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61 | -39.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D484 L485 S486 A492 L540 | D484-A488 PolarHBondContact O-N 3.2Å; D484-A488 VanDerWaalsContact O-N 3.08Å; L485-A488 PolarHBondContact O-N 3.22Å; S486-A488 PolarHBondContact O-N 3.27Å; A488-A492 VanDerWaalsContact O-CB 3.32Å; A488-A492 WeakPolarHBondContact O-CB 3.28Å; A488-A492 PolarHBondContact O-N 3.23Å; A488-L540 HydrophobicContact CB-CD2 4.03Å |
| 489 | L | 92.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 175.3 | -77.7 | 166.5 | 0 | 0 | 0 | 111.9 | L473 L475 L485 S486 D487 A492 G493 A494 I497 V523 F527 L540 | L473-L489 HydrophobicContact CD2-CD2 3.8Å; L473-L489 HydrophobicContact CG-CD2 4.38Å; L475-L489 HydrophobicContact CD1-CD1 3.92Å; L475-L489 HydrophobicContact CD1-CD2 3.99Å; L475-L489 HydrophobicContact CD1-CG 3.99Å; L475-L489 HydrophobicContact CG-CD1 4.46Å; L485-L489 WeakPolarHBondContact O-CB 3.42Å; L485-L489 WeakPolarHBondContact O-CG 3.26Å; L485-L489 PolarHBondContact O-N 2.83Å; S486-L489 PolarHBondContact O-N 3.37Å; D487-L489 VanDerWaalsContact C-N 3.34Å; D487-L489 PolarHBondContact O-N 3.19Å; L489-A492 CarbonylContact O-C 3.53Å; L489-A492 PolarHBondContact O-N 2.9Å; L489-G493 PolarHBondContact O-N 3.31Å; L489-A494 HydrophobicContact CB-CB 4.19Å; L489-A494 WeakPolarHBondContact O-CB 3.15Å; L489-A494 PolarHBondContact O-N 3.05Å; L489-I497 HydrophobicContact CB-CD1 3.43Å; L489-I497 VanDerWaalsContact CB-CD1 3.43Å; L489-I497 HydrophobicContact CD1-CD1 4.01Å; L489-I497 HydrophobicContact CG-CD1 4.38Å; L489-V523 HydrophobicContact CD1-CB 4.3Å; L489-V523 HydrophobicContact CD1-CG1 3.54Å; L489-F527 HydrophobicContact CD2-CE2 4.26Å; L489-F527 HydrophobicContact CD2-CZ 4.11Å; L489-L540 HydrophobicContact CD2-CD1 3.89Å; L489-L540 HydrophobicContact CD2-CD2 4.49Å |
| 490 | M | 88.3 | Confident | 86.8 | Confident | 105 Ų | 105 | 54.8 Ų | 54.8 | 52% | 0.517 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 174.7 | -77.6 | -104.3 | -76.7 | 0 | 0 | 111.6 | S486 D487 A492 G493 I497 | S486-M490 WeakPolarHBondContact O-CG 3.45Å; S486-M490 PolarHBondContact O-N 2.83Å; D487-M490 PolarHBondContact O-N 3.48Å; M490-A492 VanDerWaalsContact C-N 3.28Å; M490-A492 PolarHBondContact O-N 3.26Å; M490-G493 PolarHBondContact O-N 2.94Å; M490-I497 HydrophobicContact CG-CD1 4.13Å; M490-I497 HydrophobicContact CG-CG1 3.74Å |
| 491 | E | 89.2 | Confident | 86.3 | Confident | 175 Ų | 175 | 51.4 Ų | 51.4 | 82% | 0.818 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.4 | -34.4 | 174.2 | -74.5 | -171.7 | 170.1 | 0 | 0 | 112.3 | D487 G493 | D487-E491 WeakPolarHBondContact O-CG 3.2Å; D487-E491 PolarHBondContact O-N 3.18Å; E491-G493 PolarHBondContact O-N 2.8Å |
| 492 | A | 90.6 | Very high | 85.2 | Confident | 12 Ų | 12 | 51.4 Ų | 51.4 | 10% | 0.099 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A488 L489 M490 V536 I539 L540 | A488-A492 VanDerWaalsContact O-CB 3.32Å; A488-A492 WeakPolarHBondContact O-CB 3.28Å; A488-A492 PolarHBondContact O-N 3.23Å; L489-A492 CarbonylContact O-C 3.53Å; L489-A492 PolarHBondContact O-N 2.9Å; M490-A492 VanDerWaalsContact C-N 3.28Å; M490-A492 PolarHBondContact O-N 3.26Å; A492-V536 HydrophobicContact CB-CG1 4.11Å; A492-I539 HydrophobicContact CB-CG2 4.17Å; A492-L540 HydrophobicContact CB-CD2 4.25Å; A492-L540 HydrophobicContact CB-CG 4.33Å |
| 493 | G | 89.3 | Confident | 83.9 | Confident | 44 Ų | 44 | 57.4 Ų | 57.4 | 45% | 0.454 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106.8 | 14.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L489 M490 E491 F527 | L489-G493 PolarHBondContact O-N 3.31Å; M490-G493 PolarHBondContact O-N 2.94Å; E491-G493 PolarHBondContact O-N 2.8Å; G493-F527 VanDerWaalsContact C-CE1 3.44Å |
| 494 | A | 89.6 | Confident | 82.3 | Confident | 8 Ų | 8 | 60.3 Ų | 60.3 | 7% | 0.066 | 33% | 0.332 | C | S | . | . | trans | -63.9 | 136.3 | 173 | 0 | 0 | 0 | 0 | 0 | 110.5 | L489 I497 L526 F527 | L489-A494 HydrophobicContact CB-CB 4.19Å; L489-A494 WeakPolarHBondContact O-CB 3.15Å; L489-A494 PolarHBondContact O-N 3.05Å; A494-I497 HydrophobicContact CB-CD1 3.69Å; A494-L526 CarbonylContact C-O 3.53Å; A494-L526 WeakPolarHBondContact CA-O 3.44Å; A494-F527 HydrophobicContact CB-CD1 4.49Å; A494-F527 HydrophobicContact CB-CE1 3.95Å; A494-F527 HydrophobicContact CB-CE2 4.05Å; A494-F527 HydrophobicContact CB-CZ 3.69Å | ||
| 495 | V | 85 | Confident | 80.1 | Confident | 96 Ų | 96 | 60.2 Ų | 60.2 | 58% | 0.582 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -82.8 | -29.1 | 178.7 | -176.5 | 0 | 0 | 0 | 0 | 111.3 | W470 L526 | W470-V495 HydrophobicContact CZ3-CB 4.25Å; W470-V495 HydrophobicContact CZ3-CG1 4.49Å; W470-V495 HydrophobicContact CZ3-CG2 4.08Å; V495-L526 PolarHBondContact N-O 3.1Å |
| 496 | S | 87 | Confident | 78 | Confident | 46 Ų | 46 | 64.2 Ų | 64.2 | 32% | 0.322 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 149.9 | 175.9 | 61.8 | 0 | 0 | 0 | 0 | 110.5 | L526 | S496-L526 PolarHBondContact O-N 3.48Å; S496-L526 WeakPolarHBondContact OG-CB 3.14Å |
| 497 | I | 89.3 | Confident | 75.8 | Confident | 34 Ų | 34 | 66.8 Ų | 66.8 | 17% | 0.174 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 136 | 173.8 | -54.4 | -58.6 | 0 | 0 | 0 | 109.2 | L489 M490 A494 F499 V523 I524 | L489-I497 HydrophobicContact CB-CD1 3.43Å; L489-I497 VanDerWaalsContact CB-CD1 3.43Å; L489-I497 HydrophobicContact CD1-CD1 4.01Å; L489-I497 HydrophobicContact CG-CD1 4.38Å; M490-I497 HydrophobicContact CG-CD1 4.13Å; M490-I497 HydrophobicContact CG-CG1 3.74Å; A494-I497 HydrophobicContact CB-CD1 3.69Å; I497-F499 HydrophobicContact CG2-CE1 4.16Å; I497-F499 HydrophobicContact CG2-CE2 4.43Å; I497-F499 HydrophobicContact CG2-CZ 4.08Å; I497-V523 HydrophobicContact CG2-CG1 3.56Å; I497-I524 CarbonylContact C-O 3.42Å; I497-I524 WeakPolarHBondContact CA-O 3.45Å |
| 498 | T | 85.7 | Confident | 73.9 | Confident | 75 Ų | 75 | 67.6 Ų | 67.6 | 46% | 0.46 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.9 | 171.2 | -57.6 | 0 | 0 | 0 | 0 | 109.2 | I524 | T498-I524 PolarHBondContact N-O 2.71Å; T498-I524 PolarHBondContact O-N 2.99Å |
| 499 | F | 82.1 | Confident | 71.9 | Confident | 45 Ų | 45 | 72.9 Ų | 72.9 | 20% | 0.197 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 126.1 | 170.3 | -58.4 | -71.1 | 0 | 0 | 0 | 108.9 | A482 I497 L517 W518 T521 D522 V523 | A482-F499 HydrophobicContact CB-CD1 4.16Å; A482-F499 HydrophobicContact CB-CE1 3.91Å; I497-F499 HydrophobicContact CG2-CE1 4.16Å; I497-F499 HydrophobicContact CG2-CE2 4.43Å; I497-F499 HydrophobicContact CG2-CZ 4.08Å; F499-L517 HydrophobicContact CB-CD2 3.87Å; F499-L517 HydrophobicContact CD1-CD2 3.99Å; F499-L517 HydrophobicContact CD2-CD2 3.77Å; F499-L517 HydrophobicContact CE1-CD2 4.48Å; F499-L517 HydrophobicContact CE2-CD2 4.27Å; F499-L517 HydrophobicContact CG-CD2 3.6Å; F499-W518 HydrophobicContact CB-CZ3 4Å; F499-T521 HydrophobicContact CB-CG2 4.02Å; F499-T521 HydrophobicContact CD1-CG2 4.03Å; F499-T521 HydrophobicContact CG-CG2 4.49Å; F499-D522 WeakPolarHBondContact CA-O 3.48Å; F499-V523 HydrophobicContact CD1-CB 4.49Å; F499-V523 HydrophobicContact CD1-CG1 4.28Å; F499-V523 HydrophobicContact CD1-CG2 3.89Å; F499-V523 HydrophobicContact CE1-CB 4.49Å; F499-V523 HydrophobicContact CE1-CG1 3.95Å; F499-V523 HydrophobicContact CE1-CG2 3.86Å |
| 500 | Q | 75.4 | Confident | 69.7 | Low | 88 Ų | 88 | 75.6 Ų | 75.6 | 41% | 0.411 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 138.5 | 178.3 | -174.5 | 172.1 | 9.8 | 0 | 0 | 109.5 | D522 I524 | Q500-D522 HydrophobicContact CB-CB 4.25Å; Q500-D522 PolarHBondContact N-O 3.45Å; Q500-D522 PolarHBondContact O-N 3.09Å; Q500-I524 HydrophobicContact CB-CD1 4.09Å |
| 501 | D | 68.7 | Low | 67.8 | Low | 15 Ų | 15 | 76.3 Ų | 76.3 | 8% | 0.08 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 131.6 | 171.5 | -169.3 | -13.7 | 0 | 0 | 0 | 110 | H503 T505 W518 | D501-H503 VanDerWaalsContact C-N 3.27Å; D501-H503 PolarHBondContact O-N 3.3Å; D501-H503 PolarHBondContact OD1-N 2.63Å; D501-T505 WeakPolarHBondContact OD2-CA 2.94Å; D501-T505 WeakPolarHBondContact OD2-CB 3.4Å; D501-T505 PolarHBondContact OD2-N 2.97Å; D501-T505 PolarHBondContact OD2-OG1 3.18Å; D501-W518 HydrophobicContact CB-CD2 3.81Å; D501-W518 HydrophobicContact CB-CE3 4.42Å; D501-W518 HydrophobicContact CB-CG 3.85Å; D501-W518 HydrophobicContact CB-CZ2 4.38Å; D501-W518 VanDerWaalsContact CG-CD1 3.45Å; D501-W518 PolarHBondContact OD2-NE1 2.94Å |
| 502 | T | 60.3 | Low | 65.7 | Low | 54 Ų | 54 | 73.7 Ų | 73.7 | 33% | 0.331 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -71.9 | -21.1 | 175.9 | -29.5 | 0 | 0 | 0 | 0 | 112.4 | D520 D522 | T502-D520 PolarHBondContact OG1-O 3.27Å; T502-D522 WeakPolarHBondContact CG2-OD1 3.29Å; T502-D522 PolarHBondContact OG1-OD1 3.42Å |
| 503 | H | 58.3 | Low | 63.5 | Low | 127 Ų | 127 | 77.2 Ų | 77.2 | 59% | 0.588 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -120.2 | 10 | -172.9 | -66.7 | 87.8 | 0 | 0 | 0 | 115.5 | D501 T505 D520 | D501-H503 VanDerWaalsContact C-N 3.27Å; D501-H503 PolarHBondContact O-N 3.3Å; D501-H503 PolarHBondContact OD1-N 2.63Å; H503-T505 VanDerWaalsContact C-N 3.32Å; H503-T505 PolarHBondContact O-N 3.13Å; H503-D520 IonicContact CE1-OD2 2.57Å; H503-D520 PolarHBondContact CE1-OD2 3.45Å; H503-D520 IonicContact ND1-OD2 2.7Å |
| 504 | D | 52.3 | Low | 61.3 | Low | 144 Ų | 144 | 78.8 Ų | 78.8 | 77% | 0.77 | 45% | 0.453 | S | S | * | . | trans | 55.6 | 37.9 | -179.4 | -75.7 | -28.7 | 0 | 0 | 0 | 114.6 | ||||
| 505 | T | 40.4 | Very low | 59.3 | Low | 84 Ų | 84 | 82.9 Ų | 82.9 | 52% | 0.515 | 48% | 0.478 | S | S | . | . | trans | -86.8 | 119.5 | 172.8 | -12 | 0 | 0 | 0 | 0 | 110.4 | D501 H503 V507 W518 | D501-T505 WeakPolarHBondContact OD2-CA 2.94Å; D501-T505 WeakPolarHBondContact OD2-CB 3.4Å; D501-T505 PolarHBondContact OD2-N 2.97Å; D501-T505 PolarHBondContact OD2-OG1 3.18Å; H503-T505 VanDerWaalsContact C-N 3.32Å; H503-T505 PolarHBondContact O-N 3.13Å; T505-V507 PolarHBondContact O-N 3.48Å; T505-W518 PolarHBondContact O-NE1 3.05Å | ||
| 506 | P | 44.8 | Very low | 57.4 | Low | 87 Ų | 87 | 85.9 Ų | 85.9 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | trans | -76.2 | 131.2 | -172.3 | 27.6 | -33.3 | 0 | 0 | 0 | 113.4 | F508 | P506-F508 HydrophobicContact CB-CD2 4.14Å; P506-F508 HydrophobicContact CB-CE1 4.05Å; P506-F508 HydrophobicContact CB-CE2 3.42Å; P506-F508 VanDerWaalsContact CB-CE2 3.42Å; P506-F508 HydrophobicContact CB-CZ 3.36Å; P506-F508 HydrophobicContact CG-CE2 3.75Å; P506-F508 HydrophobicContact CG-CZ 3.95Å | ||
| 507 | V | 44.1 | Very low | 55.7 | Low | 65 Ų | 65 | 85.9 Ų | 85.9 | 39% | 0.394 | 47% | 0.474 | S | S | . | . | trans | -113.4 | 111.3 | 166.9 | 174.2 | 0 | 0 | 0 | 0 | 107.5 | T505 R516 W518 | T505-V507 PolarHBondContact O-N 3.48Å; V507-R516 HydrophobicContact CG1-CB 4.24Å; V507-W518 HydrophobicContact CB-CZ2 4.41Å; V507-W518 HydrophobicContact CG2-CG 4.37Å; V507-W518 VanDerWaalsContact CG2-NE1 3.32Å | ||
| 508 | F | 48 | Very low | 54 | Low | 108 Ų | 108 | 87 Ų | 87 | 47% | 0.474 | 48% | 0.476 | S | S | . | . | trans | -97.4 | 113.9 | -175.2 | -61.4 | -72.7 | 0 | 0 | 0 | 111.2 | P506 W752 | P506-F508 HydrophobicContact CB-CD2 4.14Å; P506-F508 HydrophobicContact CB-CE1 4.05Å; P506-F508 HydrophobicContact CB-CE2 3.42Å; P506-F508 VanDerWaalsContact CB-CE2 3.42Å; P506-F508 HydrophobicContact CB-CZ 3.36Å; P506-F508 HydrophobicContact CG-CE2 3.75Å; P506-F508 HydrophobicContact CG-CZ 3.95Å; F508-W752 HydrophobicContact CD1-CZ2 4.42Å; F508-W752 HydrophobicContact CE1-CZ2 4.25Å; F508-W752 HydrophobicContact CZ-CZ2 4.29Å | ||
| 509 | E | 48.7 | Very low | 52.4 | Low | 118 Ų | 118 | 86.3 Ų | 86.3 | 55% | 0.551 | 48% | 0.484 | S | S | * | . | trans | 52.5 | 95.8 | 161 | -70.4 | 177.8 | -167 | 0 | 0 | 118.3 | L699 | E509-L699 HydrophobicContact CB-CD1 3.71Å; E509-L699 HydrophobicContact CB-CD2 4.42Å; E509-L699 VanDerWaalsContact OE2-CD1 3.26Å; E509-L699 WeakPolarHBondContact OE2-CD1 3.45Å; E509-L699 WeakPolarHBondContact OE2-CD2 3.34Å; E509-L699 VanDerWaalsContact OE2-CG 3.28Å; E509-L699 WeakPolarHBondContact OE2-CG 3.38Å | ||
| 510 | P | 47.4 | Very low | 51.9 | Low | 58 Ų | 58 | 88 Ų | 88 | 38% | 0.377 | 50% | 0.495 | S | S | . | . | trans | -75.1 | 162.7 | 163.5 | 31.8 | -31.8 | 0 | 0 | 0 | 111.9 | E514 | P510-E514 HydrophobicContact CB-CB 3.99Å; P510-E514 HydrophobicContact CB-CG 4.34Å; P510-E514 WeakPolarHBondContact CB-O 3.5Å; P510-E514 WeakPolarHBondContact CG-O 3.33Å | ||
| 511 | L | 46.7 | Very low | 51.9 | Low | 119 Ų | 119 | 83.8 Ų | 83.8 | 62% | 0.623 | 48% | 0.476 | S | S | * | . | trans | -61.9 | 158.6 | 177.2 | -69.4 | 168.7 | 0 | 0 | 0 | 111.3 | G513 E514 | L511-G513 PolarHBondContact O-N 2.86Å; L511-E514 HydrophobicContact CB-CB 4.26Å; L511-E514 PolarHBondContact N-OE2 3.28Å; L511-E514 PolarHBondContact O-N 3.15Å | ||
| 512 | P | 45.9 | Very low | 52.7 | Low | 120 Ų | 120 | 84.1 Ų | 84.1 | 78% | 0.779 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 110.2 | 175.7 | -25.5 | 33.8 | 0 | 0 | 0 | 111.8 | ||
| 513 | G | 43.8 | Very low | 54.1 | Low | 87 Ų | 87 | 81.5 Ų | 81.5 | 90% | 0.897 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | 1.1 | -178 | 0 | 0 | 0 | 0 | 0 | 116.5 | L511 | L511-G513 PolarHBondContact O-N 2.86Š|
| 514 | E | 44.3 | Very low | 55.6 | Low | 77 Ų | 77 | 75.9 Ų | 75.9 | 36% | 0.36 | 44% | 0.436 | S | S | . | . | trans | -99.3 | 140.4 | 176.2 | -167.5 | -171.7 | 175 | 0 | 0 | 110.2 | P510 L511 R516 | P510-E514 HydrophobicContact CB-CB 3.99Å; P510-E514 HydrophobicContact CB-CG 4.34Å; P510-E514 WeakPolarHBondContact CB-O 3.5Å; P510-E514 WeakPolarHBondContact CG-O 3.33Å; L511-E514 HydrophobicContact CB-CB 4.26Å; L511-E514 PolarHBondContact N-OE2 3.28Å; L511-E514 PolarHBondContact O-N 3.15Å; E514-R516 IonicContact OE1-CZ 3.42Å; E514-R516 IonicContact OE1-NE 3.95Å; E514-R516 IonicContact OE1-NH2 3.51Å; E514-R516 PolarHBondContact OE1-NH2 3.41Å | ||
| 515 | T | 47.4 | Very low | 57.5 | Low | 94 Ų | 94 | 69 Ų | 69 | 58% | 0.577 | 40% | 0.399 | S | S | * | . | trans | -125 | 121 | 179.9 | -46.2 | 0 | 0 | 0 | 0 | 109 | L517 | T515-L517 HydrophobicContact CG2-CD2 4.32Š| ||
| 516 | R | 45.7 | Very low | 59.9 | Low | 159 Ų | 159 | 66.4 Ų | 66.4 | 60% | 0.6 | 38% | 0.382 | S | S | * | . | trans | -112.8 | 132.1 | 173.6 | -73.3 | -174.3 | -172 | 172.6 | 6.3 | 110.1 | V507 E514 | V507-R516 HydrophobicContact CG1-CB 4.24Å; E514-R516 IonicContact OE1-CZ 3.42Å; E514-R516 IonicContact OE1-NE 3.95Å; E514-R516 IonicContact OE1-NH2 3.51Å; E514-R516 PolarHBondContact OE1-NH2 3.41Å | ||
| 517 | L | 50.8 | Low | 62 | Low | 45 Ų | 45 | 62.3 Ų | 62.3 | 24% | 0.236 | 36% | 0.355 | C | S | . | . | trans | -113.7 | 151.4 | -174.5 | -61.6 | 170 | 0 | 0 | 0 | 111.9 | A482 E483 F499 T515 | A482-L517 HydrophobicContact CB-CD1 3.89Å; E483-L517 HydrophobicContact CG-CD1 3.94Å; F499-L517 HydrophobicContact CB-CD2 3.87Å; F499-L517 HydrophobicContact CD1-CD2 3.99Å; F499-L517 HydrophobicContact CD2-CD2 3.77Å; F499-L517 HydrophobicContact CE1-CD2 4.48Å; F499-L517 HydrophobicContact CE2-CD2 4.27Å; F499-L517 HydrophobicContact CG-CD2 3.6Å; T515-L517 HydrophobicContact CG2-CD2 4.32Å | ||
| 518 | W | 53.2 | Low | 63.8 | Low | 57 Ų | 57 | 61.4 Ų | 61.4 | 22% | 0.216 | 35% | 0.348 | C | S | . | . | trans | -78.9 | 166.3 | -174.4 | -59.2 | -97.1 | 0 | 0 | 0 | 113.2 | G479 F499 D501 T505 V507 D520 T521 | G479-W518 WeakPolarHBondContact CA-O 3.17Å; G479-W518 PolarHBondContact N-O 2.75Å; F499-W518 HydrophobicContact CB-CZ3 4Å; D501-W518 HydrophobicContact CB-CD2 3.81Å; D501-W518 HydrophobicContact CB-CE3 4.42Å; D501-W518 HydrophobicContact CB-CG 3.85Å; D501-W518 HydrophobicContact CB-CZ2 4.38Å; D501-W518 VanDerWaalsContact CG-CD1 3.45Å; D501-W518 PolarHBondContact OD2-NE1 2.94Å; T505-W518 PolarHBondContact O-NE1 3.05Å; V507-W518 HydrophobicContact CB-CZ2 4.41Å; V507-W518 HydrophobicContact CG2-CG 4.37Å; V507-W518 VanDerWaalsContact CG2-NE1 3.32Å; W518-D520 WeakPolarHBondContact CB-O 3.42Å; W518-T521 HydrophobicContact CE3-CG2 4.2Å; W518-T521 PolarHBondContact N-OG1 2.86Å; W518-T521 PolarHBondContact O-OG1 2.96Å; W518-T521 VanDerWaalsContact O-OG1 3.13Å | ||
| 519 | G | 51.8 | Low | 65 | Low | 61 Ų | 61 | 57.5 Ų | 57.5 | 63% | 0.629 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -60.9 | -51.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T478 G479 | T478-G519 WeakPolarHBondContact CA-O 3.41Å; T478-G519 WeakPolarHBondContact CB-O 3.34Å; G479-G519 PolarHBondContact N-O 3.18Å; G479-G519 VanDerWaalsContact N-O 3.16Å |
| 520 | D | 70.9 | Confident | 66.2 | Low | 80 Ų | 80 | 58.7 Ų | 58.7 | 43% | 0.428 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 125.4 | 168.3 | -69.7 | -32 | 0 | 0 | 0 | 107.8 | T502 H503 W518 | T502-D520 PolarHBondContact OG1-O 3.27Å; H503-D520 IonicContact CE1-OD2 2.57Å; H503-D520 PolarHBondContact CE1-OD2 3.45Å; H503-D520 IonicContact ND1-OD2 2.7Å; W518-D520 WeakPolarHBondContact CB-O 3.42Å |
| 521 | T | 77 | Confident | 67.9 | Low | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 134 | -173.5 | -58.1 | 0 | 0 | 0 | 0 | 109.7 | T477 A482 F499 W518 | T477-T521 CarbonylContact C-O 3.58Å; T477-T521 WeakPolarHBondContact CG2-O 3.43Å; T477-T521 PolarHBondContact N-O 3.27Å; T477-T521 PolarHBondContact O-N 3.19Å; T477-T521 VanDerWaalsContact O-O 3.08Å; A482-T521 HydrophobicContact CB-CG2 4.3Å; F499-T521 HydrophobicContact CB-CG2 4.02Å; F499-T521 HydrophobicContact CD1-CG2 4.03Å; F499-T521 HydrophobicContact CG-CG2 4.49Å; W518-T521 HydrophobicContact CE3-CG2 4.2Å; W518-T521 PolarHBondContact N-OG1 2.86Å; W518-T521 PolarHBondContact O-OG1 2.96Å; W518-T521 VanDerWaalsContact O-OG1 3.13Å |
| 522 | D | 84.9 | Confident | 69.8 | Low | 22 Ų | 22 | 56.4 Ų | 56.4 | 12% | 0.118 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 119.4 | 165.8 | -78.1 | 12 | 0 | 0 | 0 | 108.9 | L475 N476 F499 Q500 T502 I524 | L475-D522 CarbonylContact O-C 3.58Å; L475-D522 WeakPolarHBondContact O-CA 3.39Å; N476-D522 VanDerWaalsContact ND2-CG 3.32Å; N476-D522 PolarHBondContact ND2-OD1 3.21Å; N476-D522 PolarHBondContact ND2-OD2 2.83Å; F499-D522 WeakPolarHBondContact CA-O 3.48Å; Q500-D522 HydrophobicContact CB-CB 4.25Å; Q500-D522 PolarHBondContact N-O 3.45Å; Q500-D522 PolarHBondContact O-N 3.09Å; T502-D522 WeakPolarHBondContact CG2-OD1 3.29Å; T502-D522 PolarHBondContact OG1-OD1 3.42Å; D522-I524 HydrophobicContact CB-CG1 4.44Å |
| 523 | V | 88.8 | Confident | 71.9 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 119.7 | 170.7 | -171 | 0 | 0 | 0 | 0 | 107.8 | L475 T477 A482 L485 L489 I497 F499 | L475-V523 PolarHBondContact N-O 3.33Å; L475-V523 PolarHBondContact O-N 2.8Å; T477-V523 HydrophobicContact CG2-CG2 3.48Å; T477-V523 VanDerWaalsContact CG2-CG2 3.48Å; A482-V523 HydrophobicContact CB-CG2 3.89Å; L485-V523 HydrophobicContact CB-CG2 4.45Å; L489-V523 HydrophobicContact CD1-CB 4.3Å; L489-V523 HydrophobicContact CD1-CG1 3.54Å; I497-V523 HydrophobicContact CG2-CG1 3.56Å; F499-V523 HydrophobicContact CD1-CB 4.49Å; F499-V523 HydrophobicContact CD1-CG1 4.28Å; F499-V523 HydrophobicContact CD1-CG2 3.89Å; F499-V523 HydrophobicContact CE1-CB 4.49Å; F499-V523 HydrophobicContact CE1-CG1 3.95Å; F499-V523 HydrophobicContact CE1-CG2 3.86Å |
| 524 | I | 91.4 | Very high | 74 | Confident | 9 Ų | 9 | 53 Ų | 53 | 5% | 0.046 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 112.2 | -173.1 | -49.1 | 176.5 | 0 | 0 | 0 | 108.7 | Q472 L473 K474 I497 T498 Q500 D522 | Q472-I524 HydrophobicContact CB-CG2 3.82Å; Q472-I524 HydrophobicContact CG-CG2 4.37Å; L473-I524 CarbonylContact O-C 3.59Å; L473-I524 WeakPolarHBondContact O-CA 3.28Å; K474-I524 HydrophobicContact CD-CD1 4.35Å; K474-I524 HydrophobicContact CD-CG1 4.49Å; K474-I524 HydrophobicContact CG-CB 4.48Å; K474-I524 HydrophobicContact CG-CD1 4.31Å; K474-I524 HydrophobicContact CG-CG1 3.96Å; K474-I524 HydrophobicContact CG-CG2 4.03Å; I497-I524 CarbonylContact C-O 3.42Å; I497-I524 WeakPolarHBondContact CA-O 3.45Å; T498-I524 PolarHBondContact N-O 2.71Å; T498-I524 PolarHBondContact O-N 2.99Å; Q500-I524 HydrophobicContact CB-CD1 4.09Å; D522-I524 HydrophobicContact CB-CG1 4.44Å |
| 525 | G | 91.3 | Very high | 76.1 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 128.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q472 L473 F527 | Q472-G525 CarbonylContact C-O 3.29Å; Q472-G525 VanDerWaalsContact CA-O 3.3Å; Q472-G525 WeakPolarHBondContact CA-O 3.34Å; L473-G525 PolarHBondContact N-O 3.15Å; L473-G525 PolarHBondContact O-N 3.24Å; G525-F527 WeakPolarHBondContact O-CD2 3.5Å; G525-F527 WeakPolarHBondContact O-CE2 3.33Å |
| 526 | L | 90.8 | Very high | 78.3 | Confident | 29 Ų | 29 | 50 Ų | 50 | 15% | 0.152 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 127.3 | 175.7 | -166.8 | 71.8 | 0 | 0 | 0 | 110.7 | W470 Q472 A494 V495 S496 L557 | W470-L526 HydrophobicContact CB-CD1 3.7Å; W470-L526 HydrophobicContact CB-CG 4.22Å; W470-L526 HydrophobicContact CD2-CD1 4.48Å; W470-L526 HydrophobicContact CD2-CD2 3.84Å; W470-L526 HydrophobicContact CD2-CG 4.08Å; W470-L526 HydrophobicContact CE3-CD1 4.48Å; W470-L526 HydrophobicContact CE3-CD2 3.75Å; W470-L526 HydrophobicContact CE3-CG 3.73Å; W470-L526 HydrophobicContact CG-CD1 4.18Å; W470-L526 HydrophobicContact CG-CD2 4.21Å; W470-L526 HydrophobicContact CG-CG 4.3Å; W470-L526 HydrophobicContact CZ3-CD2 4.22Å; W470-L526 HydrophobicContact CZ3-CG 4.43Å; Q472-L526 HydrophobicContact CB-CD1 4.3Å; A494-L526 CarbonylContact C-O 3.53Å; A494-L526 WeakPolarHBondContact CA-O 3.44Å; V495-L526 PolarHBondContact N-O 3.1Å; S496-L526 PolarHBondContact O-N 3.48Å; S496-L526 WeakPolarHBondContact OG-CB 3.14Å; L526-L557 HydrophobicContact CD1-CB 4.36Å; L526-L557 HydrophobicContact CD1-CD2 3.56Å |
| 527 | F | 88.4 | Confident | 80.5 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 149.2 | -177.9 | -62.5 | -94.5 | 0 | 0 | 0 | 110.4 | W470 I471 L473 L489 G493 A494 G525 T531 M533 V536 | W470-F527 CarbonylContact C-O 3.58Å; W470-F527 WeakPolarHBondContact CA-O 3.4Å; I471-F527 PolarHBondContact N-O 3.23Å; I471-F527 PolarHBondContact O-N 2.7Å; L473-F527 HydrophobicContact CB-CD2 4.38Å; L473-F527 HydrophobicContact CB-CE2 3.89Å; L473-F527 HydrophobicContact CD2-CE2 4.42Å; L489-F527 HydrophobicContact CD2-CE2 4.26Å; L489-F527 HydrophobicContact CD2-CZ 4.11Å; G493-F527 VanDerWaalsContact C-CE1 3.44Å; A494-F527 HydrophobicContact CB-CD1 4.49Å; A494-F527 HydrophobicContact CB-CE1 3.95Å; A494-F527 HydrophobicContact CB-CE2 4.05Å; A494-F527 HydrophobicContact CB-CZ 3.69Å; G525-F527 WeakPolarHBondContact O-CD2 3.5Å; G525-F527 WeakPolarHBondContact O-CE2 3.33Å; F527-T531 HydrophobicContact CB-CG2 4.36Å; F527-T531 HydrophobicContact CD1-CG2 4Å; F527-M533 HydrophobicContact CB-SD 4.19Å; F527-M533 HydrophobicContact CD2-CE 3.95Å; F527-M533 HydrophobicContact CD2-SD 4.29Å; F527-M533 HydrophobicContact CE2-CE 4.19Å; F527-M533 HydrophobicContact CG-CE 4.37Å; F527-M533 HydrophobicContact CG-SD 4.17Å; F527-V536 HydrophobicContact CD1-CG2 4.22Å; F527-V536 HydrophobicContact CE1-CG1 3.83Å; F527-V536 HydrophobicContact CE1-CG2 3.94Å; F527-V536 HydrophobicContact CE2-CG1 4.32Å; F527-V536 HydrophobicContact CZ-CG1 3.63Å |
| 528 | D | 81.6 | Confident | 82.3 | Confident | 46 Ų | 46 | 43.3 Ų | 43.3 | 25% | 0.246 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 144 | 169.2 | -169.2 | -68.7 | 0 | 0 | 0 | 109.3 | K423 E530 T531 | K423-D528 IonicContact NZ-OD2 3.56Å; K423-D528 PolarHBondContact NZ-OD2 3.03Å; D528-E530 PolarHBondContact O-N 2.98Å; D528-E530 VanDerWaalsContact O-N 3.09Å; D528-E530 PolarHBondContact OD1-N 2.86Å; D528-T531 VanDerWaalsContact O-CB 3.29Å; D528-T531 WeakPolarHBondContact O-CB 3.5Å; D528-T531 PolarHBondContact O-N 3.32Å; D528-T531 PolarHBondContact O-OG1 3.17Å; D528-T531 VanDerWaalsContact O-OG1 3.1Å |
| 529 | A | 75.1 | Confident | 84 | Confident | 26 Ų | 26 | 45.1 Ų | 45.1 | 22% | 0.215 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -17.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | M468 P469 T531 | M468-A529 HydrophobicContact CB-CB 4.06Å; M468-A529 WeakPolarHBondContact O-CB 3.39Å; P469-A529 PolarHBondContact O-N 3.34Å; P469-A529 VanDerWaalsContact O-N 3.09Å; A529-T531 VanDerWaalsContact C-N 3.33Å |
| 530 | E | 73.7 | Confident | 85.9 | Confident | 144 Ų | 144 | 42.3 Ų | 42.3 | 67% | 0.673 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | -8.1 | 175.5 | -64 | -179.1 | -170.1 | 0 | 0 | 113.6 | D528 | D528-E530 PolarHBondContact O-N 2.98Å; D528-E530 VanDerWaalsContact O-N 3.09Å; D528-E530 PolarHBondContact OD1-N 2.86Å |
| 531 | T | 82.3 | Confident | 86.9 | Confident | 48 Ų | 48 | 42 Ų | 42 | 29% | 0.294 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -70.2 | 129.2 | -179.5 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | F527 D528 A529 M533 V536 | F527-T531 HydrophobicContact CB-CG2 4.36Å; F527-T531 HydrophobicContact CD1-CG2 4Å; D528-T531 VanDerWaalsContact O-CB 3.29Å; D528-T531 WeakPolarHBondContact O-CB 3.5Å; D528-T531 PolarHBondContact O-N 3.32Å; D528-T531 PolarHBondContact O-OG1 3.17Å; D528-T531 VanDerWaalsContact O-OG1 3.1Å; A529-T531 VanDerWaalsContact C-N 3.33Å; T531-M533 HydrophobicContact CG2-SD 4.35Å; T531-M533 PolarHBondContact O-N 3.4Å; T531-M533 VanDerWaalsContact O-N 3.09Å; T531-V536 HydrophobicContact CG2-CG2 3.61Å |
| 532 | D | 86.3 | Confident | 87.4 | Confident | 81 Ų | 81 | 48.5 Ų | 48.5 | 43% | 0.433 | 26% | 0.263 | S | S | . | . | trans | -73.1 | 102.6 | 172.9 | -166.6 | -24.7 | 0 | 0 | 0 | 110.1 | N534 D535 V536 | D532-N534 PolarHBondContact O-N 3.19Å; D532-N534 WeakPolarHBondContact OD1-CB 3.49Å; D532-N534 PolarHBondContact OD1-N 2.92Å; D532-N534 PolarHBondContact OD1-ND2 2.96Å; D532-D535 HydrophobicContact CB-CB 4.41Å; D532-D535 PolarHBondContact O-N 3.4Å; D532-D535 VanDerWaalsContact O-N 3.16Å; D532-V536 PolarHBondContact O-N 2.69Å | ||
| 533 | M | 89.8 | Confident | 87.6 | Confident | 16 Ų | 16 | 49.8 Ų | 49.8 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.4 | -19.2 | -178.2 | -62.4 | -53.4 | -56.5 | 0 | 0 | 113.3 | I471 L473 F527 T531 V536 V537 I554 | I471-M533 HydrophobicContact CB-SD 4.33Å; I471-M533 HydrophobicContact CD1-CG 4.13Å; I471-M533 HydrophobicContact CG2-CE 4.37Å; I471-M533 HydrophobicContact CG2-CG 3.88Å; I471-M533 HydrophobicContact CG2-SD 3.87Å; L473-M533 HydrophobicContact CB-CE 3.9Å; L473-M533 HydrophobicContact CD2-CE 4.21Å; L473-M533 HydrophobicContact CG-CE 4.47Å; F527-M533 HydrophobicContact CB-SD 4.19Å; F527-M533 HydrophobicContact CD2-CE 3.95Å; F527-M533 HydrophobicContact CD2-SD 4.29Å; F527-M533 HydrophobicContact CE2-CE 4.19Å; F527-M533 HydrophobicContact CG-CE 4.37Å; F527-M533 HydrophobicContact CG-SD 4.17Å; T531-M533 HydrophobicContact CG2-SD 4.35Å; T531-M533 PolarHBondContact O-N 3.4Å; T531-M533 VanDerWaalsContact O-N 3.09Å; M533-V536 HydrophobicContact CE-CB 4.19Å; M533-V536 HydrophobicContact CE-CG1 4.07Å; M533-V536 HydrophobicContact CE-CG2 4.46Å; M533-V536 HydrophobicContact SD-CG2 4.39Å; M533-V537 WeakPolarHBondContact O-CB 3.29Å; M533-V537 VanDerWaalsContact O-CG2 3.23Å; M533-V537 WeakPolarHBondContact O-CG2 3.1Å; M533-V537 PolarHBondContact O-N 3.11Å; M533-I554 HydrophobicContact CB-CD1 3.88Å; M533-I554 HydrophobicContact CE-CG1 4.37Å; M533-I554 HydrophobicContact CG-CG2 4.23Å |
| 534 | N | 88.5 | Confident | 87.4 | Confident | 120 Ų | 120 | 55.6 Ų | 55.6 | 64% | 0.642 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -69.5 | -38.8 | 174.7 | -56.5 | -63.7 | 0 | 0 | 0 | 111 | D532 V537 A538 | D532-N534 PolarHBondContact O-N 3.19Å; D532-N534 WeakPolarHBondContact OD1-CB 3.49Å; D532-N534 PolarHBondContact OD1-N 2.92Å; D532-N534 PolarHBondContact OD1-ND2 2.96Å; N534-V537 PolarHBondContact O-N 2.96Å; N534-A538 WeakPolarHBondContact O-CB 3.22Å; N534-A538 PolarHBondContact O-N 3.21Å |
| 535 | D | 89.1 | Confident | 87.1 | Confident | 103 Ų | 103 | 58.8 Ų | 58.8 | 55% | 0.551 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -66.5 | -42.7 | 175.8 | -73.8 | -14.2 | 0 | 0 | 0 | 110.7 | D532 V537 A538 I539 | D532-D535 HydrophobicContact CB-CB 4.41Å; D532-D535 PolarHBondContact O-N 3.4Å; D532-D535 VanDerWaalsContact O-N 3.16Å; D535-V537 PolarHBondContact O-N 3.01Å; D535-A538 PolarHBondContact O-N 3.32Å; D535-I539 VanDerWaalsContact O-CG1 3.32Å; D535-I539 WeakPolarHBondContact O-CG1 3.13Å; D535-I539 PolarHBondContact O-N 3.46Å |
| 536 | V | 92.4 | Very high | 86.8 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.024 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.3 | -48.4 | 174.9 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | L473 A492 F527 T531 D532 M533 A538 I539 L540 | L473-V536 HydrophobicContact CD2-CG1 3.95Å; A492-V536 HydrophobicContact CB-CG1 4.11Å; F527-V536 HydrophobicContact CD1-CG2 4.22Å; F527-V536 HydrophobicContact CE1-CG1 3.83Å; F527-V536 HydrophobicContact CE1-CG2 3.94Å; F527-V536 HydrophobicContact CE2-CG1 4.32Å; F527-V536 HydrophobicContact CZ-CG1 3.63Å; T531-V536 HydrophobicContact CG2-CG2 3.61Å; D532-V536 PolarHBondContact O-N 2.69Å; M533-V536 HydrophobicContact CE-CB 4.19Å; M533-V536 HydrophobicContact CE-CG1 4.07Å; M533-V536 HydrophobicContact CE-CG2 4.46Å; M533-V536 HydrophobicContact SD-CG2 4.39Å; V536-A538 PolarHBondContact O-N 3.38Å; V536-I539 PolarHBondContact O-N 3.44Å; V536-L540 HydrophobicContact CG1-CD1 3.96Å; V536-L540 VanDerWaalsContact O-CG 3.31Å; V536-L540 WeakPolarHBondContact O-CG 3.43Å; V536-L540 PolarHBondContact O-N 3.11Å; V536-L540 VanDerWaalsContact O-N 3.08Å |
| 537 | V | 91.6 | Very high | 86.3 | Confident | 18 Ų | 18 | 60.3 Ų | 60.3 | 11% | 0.109 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 177.9 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | M533 N534 D535 I539 L540 E541 F550 I554 | M533-V537 WeakPolarHBondContact O-CB 3.29Å; M533-V537 VanDerWaalsContact O-CG2 3.23Å; M533-V537 WeakPolarHBondContact O-CG2 3.1Å; M533-V537 PolarHBondContact O-N 3.11Å; N534-V537 PolarHBondContact O-N 2.96Å; D535-V537 PolarHBondContact O-N 3.01Å; V537-I539 VanDerWaalsContact C-N 3.31Å; V537-I539 PolarHBondContact O-N 3.27Å; V537-L540 PolarHBondContact O-N 3.33Å; V537-L540 VanDerWaalsContact O-N 3.13Å; V537-E541 HydrophobicContact CG1-CG 4.32Å; V537-E541 WeakPolarHBondContact O-CG 3.4Å; V537-E541 PolarHBondContact O-N 3.49Å; V537-F550 HydrophobicContact CG1-CE1 4.09Å; V537-F550 HydrophobicContact CG1-CZ 4.18Å; V537-I554 HydrophobicContact CG2-CD1 4.17Å |
| 538 | A | 88.9 | Confident | 86 | Confident | 45 Ų | 45 | 64.7 Ų | 64.7 | 37% | 0.372 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.7 | -34.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N534 D535 V536 N542 | N534-A538 WeakPolarHBondContact O-CB 3.22Å; N534-A538 PolarHBondContact O-N 3.21Å; D535-A538 PolarHBondContact O-N 3.32Å; V536-A538 PolarHBondContact O-N 3.38Å; A538-N542 PolarHBondContact O-ND2 2.92Å |
| 539 | I | 89.8 | Confident | 85.8 | Confident | 95 Ų | 95 | 65.5 Ų | 65.5 | 49% | 0.487 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.4 | -48.9 | 172.5 | -68.9 | 164.3 | 0 | 0 | 0 | 109.7 | A492 D535 V536 V537 E541 N542 | A492-I539 HydrophobicContact CB-CG2 4.17Å; D535-I539 VanDerWaalsContact O-CG1 3.32Å; D535-I539 WeakPolarHBondContact O-CG1 3.13Å; D535-I539 PolarHBondContact O-N 3.46Å; V536-I539 PolarHBondContact O-N 3.44Å; V537-I539 VanDerWaalsContact C-N 3.31Å; V537-I539 PolarHBondContact O-N 3.27Å; I539-E541 VanDerWaalsContact C-N 3.34Å; I539-E541 PolarHBondContact O-N 2.78Å; I539-N542 WeakPolarHBondContact O-CB 3.23Å; I539-N542 PolarHBondContact O-N 2.89Å |
| 540 | L | 91.8 | Very high | 86.2 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 2% | 0.016 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.6 | -29.2 | -176.8 | -68.8 | 171.7 | 0 | 0 | 0 | 113.5 | L473 A488 L489 A492 V536 V537 N542 H543 L546 F550 | L473-L540 HydrophobicContact CD2-CD1 3.41Å; L473-L540 VanDerWaalsContact CD2-CD1 3.41Å; A488-L540 HydrophobicContact CB-CD2 4.03Å; L489-L540 HydrophobicContact CD2-CD1 3.89Å; L489-L540 HydrophobicContact CD2-CD2 4.49Å; A492-L540 HydrophobicContact CB-CD2 4.25Å; A492-L540 HydrophobicContact CB-CG 4.33Å; V536-L540 HydrophobicContact CG1-CD1 3.96Å; V536-L540 VanDerWaalsContact O-CG 3.31Å; V536-L540 WeakPolarHBondContact O-CG 3.43Å; V536-L540 PolarHBondContact O-N 3.11Å; V536-L540 VanDerWaalsContact O-N 3.08Å; V537-L540 PolarHBondContact O-N 3.33Å; V537-L540 VanDerWaalsContact O-N 3.13Å; L540-N542 PolarHBondContact O-N 3.09Å; L540-H543 WeakPolarHBondContact O-CB 3.41Å; L540-H543 PolarHBondContact O-N 3.31Å; L540-L546 HydrophobicContact CB-CD1 3.83Å; L540-L546 HydrophobicContact CD2-CD1 4.26Å; L540-F550 HydrophobicContact CB-CE1 3.86Å; L540-F550 HydrophobicContact CB-CZ 3.7Å; L540-F550 HydrophobicContact CD1-CZ 4.19Å |
| 541 | E | 91.2 | Very high | 86.5 | Confident | 72 Ų | 72 | 62.7 Ų | 62.7 | 34% | 0.336 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24.7 | 174.5 | -76.7 | -170.6 | 142.7 | 0 | 0 | 113.1 | V537 I539 H543 G547 G549 F550 | V537-E541 HydrophobicContact CG1-CG 4.32Å; V537-E541 WeakPolarHBondContact O-CG 3.4Å; V537-E541 PolarHBondContact O-N 3.49Å; I539-E541 VanDerWaalsContact C-N 3.34Å; I539-E541 PolarHBondContact O-N 2.78Å; E541-H543 VanDerWaalsContact C-N 3.28Å; E541-G547 CarbonylContact O-C 3.56Å; E541-G547 VanDerWaalsContact O-C 3.31Å; E541-G547 WeakPolarHBondContact O-CA 3.37Å; E541-G549 PolarHBondContact OE1-N 2.88Å; E541-F550 HydrophobicContact CG-CD1 3.93Å; E541-F550 HydrophobicContact CG-CE1 3.73Å |
| 542 | N | 87.4 | Confident | 86.7 | Confident | 138 Ų | 138 | 64 Ų | 64 | 74% | 0.738 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -6.9 | 175.6 | -62.9 | -60.1 | 0 | 0 | 0 | 113.1 | A538 I539 L540 | A538-N542 PolarHBondContact O-ND2 2.92Å; I539-N542 WeakPolarHBondContact O-CB 3.23Å; I539-N542 PolarHBondContact O-N 2.89Å; L540-N542 PolarHBondContact O-N 3.09Å |
| 543 | H | 89.2 | Confident | 86.7 | Confident | 49 Ų | 49 | 65.8 Ų | 65.8 | 23% | 0.227 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -73.7 | 133.3 | -179.6 | -163.9 | -96.4 | 0 | 0 | 0 | 110.8 | L540 E541 L545 L546 G547 | L540-H543 WeakPolarHBondContact O-CB 3.41Å; L540-H543 PolarHBondContact O-N 3.31Å; E541-H543 VanDerWaalsContact C-N 3.28Å; H543-L545 PolarHBondContact ND1-N 2.95Å; H543-L545 PolarHBondContact O-N 2.87Å; H543-L546 HydrophobicContact CB-CB 4.48Å; H543-L546 HydrophobicContact CB-CD1 4.31Å; H543-L546 HydrophobicContact CB-CG 4.49Å; H543-L546 PolarHBondContact O-N 3.09Å; H543-L546 VanDerWaalsContact O-N 3.08Å; H543-G547 PolarHBondContact O-N 2.78Å; H543-G547 VanDerWaalsContact O-N 3.14Å |
| 544 | P | 85.5 | Confident | 86.5 | Confident | 122 Ų | 122 | 68.4 Ų | 68.4 | 79% | 0.792 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -27.8 | -175.2 | -26.2 | 33.6 | 0 | 0 | 0 | 115.2 | ||
| 545 | L | 84.9 | Confident | 86.3 | Confident | 75 Ų | 75 | 65.1 Ų | 65.1 | 39% | 0.393 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -21.3 | -178.5 | -62.7 | 173.4 | 0 | 0 | 0 | 114.2 | N481 D484 L485 H543 | N481-L545 HydrophobicContact CB-CD1 4.05Å; D484-L545 HydrophobicContact CB-CD1 3.89Å; L485-L545 HydrophobicContact CD2-CB 4.15Å; L485-L545 HydrophobicContact CD2-CD1 4.26Å; L485-L545 HydrophobicContact CG-CD1 4.35Å; H543-L545 PolarHBondContact ND1-N 2.95Å; H543-L545 PolarHBondContact O-N 2.87Å |
| 546 | L | 84.6 | Confident | 85.6 | Confident | 32 Ų | 32 | 67 Ų | 67 | 17% | 0.168 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -51.9 | -174.2 | -66.1 | 175.3 | 0 | 0 | 0 | 111 | L475 L485 L540 H543 F550 | L475-L546 HydrophobicContact CD1-CD1 4.18Å; L485-L546 HydrophobicContact CD1-CD2 4.29Å; L485-L546 HydrophobicContact CD2-CD1 4.01Å; L485-L546 HydrophobicContact CD2-CD2 3.99Å; L485-L546 HydrophobicContact CD2-CG 3.8Å; L540-L546 HydrophobicContact CB-CD1 3.83Å; L540-L546 HydrophobicContact CD2-CD1 4.26Å; H543-L546 HydrophobicContact CB-CB 4.48Å; H543-L546 HydrophobicContact CB-CD1 4.31Å; H543-L546 HydrophobicContact CB-CG 4.49Å; H543-L546 PolarHBondContact O-N 3.09Å; H543-L546 VanDerWaalsContact O-N 3.08Å; L546-F550 HydrophobicContact CB-CB 3.84Å; L546-F550 HydrophobicContact CB-CD1 3.85Å; L546-F550 HydrophobicContact CB-CD2 4.38Å; L546-F550 HydrophobicContact CB-CG 3.78Å; L546-F550 HydrophobicContact CD1-CD1 4.39Å; L546-F550 HydrophobicContact CD1-CD2 4.22Å; L546-F550 HydrophobicContact CD1-CE1 4.32Å; L546-F550 HydrophobicContact CD1-CE2 4.14Å; L546-F550 HydrophobicContact CD1-CG 4.34Å; L546-F550 HydrophobicContact CD1-CZ 4.2Å; L546-F550 HydrophobicContact CD2-CB 4.16Å; L546-F550 HydrophobicContact CD2-CD2 3.86Å; L546-F550 HydrophobicContact CD2-CE2 4.48Å; L546-F550 HydrophobicContact CD2-CG 4.05Å; L546-F550 HydrophobicContact CG-CD2 4.38Å; L546-F550 HydrophobicContact CG-CG 4.27Å; L546-F550 WeakPolarHBondContact O-CB 3.26Å |
| 547 | G | 80.4 | Confident | 84.4 | Confident | 29 Ų | 29 | 69.5 Ų | 69.5 | 30% | 0.299 | 41% | 0.411 | S | S | . | . | trans | 64.7 | 179.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E541 H543 F550 | E541-G547 CarbonylContact O-C 3.56Å; E541-G547 VanDerWaalsContact O-C 3.31Å; E541-G547 WeakPolarHBondContact O-CA 3.37Å; H543-G547 PolarHBondContact O-N 2.78Å; H543-G547 VanDerWaalsContact O-N 3.14Å; G547-F550 WeakPolarHBondContact O-CD1 3.24Å | ||
| 548 | A | 82.8 | Confident | 82.8 | Confident | 92 Ų | 92 | 71.8 Ų | 71.8 | 76% | 0.76 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 132.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 549 | G | 76.3 | Confident | 81.2 | Confident | 63 Ų | 63 | 73.3 Ų | 73.3 | 65% | 0.649 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 26.9 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | E541 | E541-G549 PolarHBondContact OE1-N 2.88Š|
| 550 | F | 84.3 | Confident | 79.4 | Confident | 18 Ų | 18 | 72.3 Ų | 72.3 | 8% | 0.079 | 41% | 0.414 | C | S | . | . | trans | -57 | 146.8 | 175.4 | 68.3 | -86.1 | 0 | 0 | 0 | 112.4 | L475 V537 L540 E541 L546 G547 H552 | L475-F550 HydrophobicContact CD2-CD2 3.95Å; L475-F550 HydrophobicContact CD2-CE2 3.4Å; L475-F550 VanDerWaalsContact CD2-CE2 3.4Å; L475-F550 HydrophobicContact CD2-CZ 4.45Å; V537-F550 HydrophobicContact CG1-CE1 4.09Å; V537-F550 HydrophobicContact CG1-CZ 4.18Å; L540-F550 HydrophobicContact CB-CE1 3.86Å; L540-F550 HydrophobicContact CB-CZ 3.7Å; L540-F550 HydrophobicContact CD1-CZ 4.19Å; E541-F550 HydrophobicContact CG-CD1 3.93Å; E541-F550 HydrophobicContact CG-CE1 3.73Å; L546-F550 HydrophobicContact CB-CB 3.84Å; L546-F550 HydrophobicContact CB-CD1 3.85Å; L546-F550 HydrophobicContact CB-CD2 4.38Å; L546-F550 HydrophobicContact CB-CG 3.78Å; L546-F550 HydrophobicContact CD1-CD1 4.39Å; L546-F550 HydrophobicContact CD1-CD2 4.22Å; L546-F550 HydrophobicContact CD1-CE1 4.32Å; L546-F550 HydrophobicContact CD1-CE2 4.14Å; L546-F550 HydrophobicContact CD1-CG 4.34Å; L546-F550 HydrophobicContact CD1-CZ 4.2Å; L546-F550 HydrophobicContact CD2-CB 4.16Å; L546-F550 HydrophobicContact CD2-CD2 3.86Å; L546-F550 HydrophobicContact CD2-CE2 4.48Å; L546-F550 HydrophobicContact CD2-CG 4.05Å; L546-F550 HydrophobicContact CG-CD2 4.38Å; L546-F550 HydrophobicContact CG-CG 4.27Å; L546-F550 WeakPolarHBondContact O-CB 3.26Å; G547-F550 WeakPolarHBondContact O-CD1 3.24Å; F550-H552 HydrophobicContact CD2-CB 3.85Å; F550-H552 AromaticContact CD2-ND1 3.94Å; F550-H552 HydrophobicContact CE2-CB 3.49Å; F550-H552 VanDerWaalsContact CE2-CB 3.49Å; F550-H552 AromaticContact CE2-CG 3.76Å; F550-H552 AromaticContact CE2-ND1 3.7Å; F550-H552 HydrophobicContact CZ-CB 4.44Å; F550-H552 PolarHBondContact O-N 2.82Å; F550-H552 PolarHBondContact O-ND1 2.91Å | ||
| 551 | A | 80.3 | Confident | 77.4 | Confident | 93 Ų | 93 | 75.8 Ų | 75.8 | 77% | 0.769 | 43% | 0.433 | S | S | * | . | trans | -70.7 | 121.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 552 | H | 86 | Confident | 75.6 | Confident | 77 Ų | 77 | 80.4 Ų | 80.4 | 36% | 0.356 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 158.3 | 178.8 | 63 | -85.4 | 0 | 0 | 0 | 111.3 | L473 L475 F550 | L473-H552 HydrophobicContact CD1-CB 3.91Å; L475-H552 HydrophobicContact CD2-CB 3.79Å; F550-H552 HydrophobicContact CD2-CB 3.85Å; F550-H552 AromaticContact CD2-ND1 3.94Å; F550-H552 HydrophobicContact CE2-CB 3.49Å; F550-H552 VanDerWaalsContact CE2-CB 3.49Å; F550-H552 AromaticContact CE2-CG 3.76Å; F550-H552 AromaticContact CE2-ND1 3.7Å; F550-H552 HydrophobicContact CZ-CB 4.44Å; F550-H552 PolarHBondContact O-N 2.82Å; F550-H552 PolarHBondContact O-ND1 2.91Å |
| 553 | K | 85.3 | Confident | 73.9 | Confident | 117 Ų | 117 | 81 Ų | 81 | 51% | 0.509 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 115.9 | 176.1 | -159.6 | -174.3 | -170.9 | -169.2 | 0 | 109.6 | K474 E555 | K474-K553 HydrophobicContact CB-CB 4.31Å; K474-K553 PolarHBondContact N-O 2.87Å; K474-K553 PolarHBondContact O-N 2.98Å; K474-K553 VanDerWaalsContact O-N 3.09Å; K553-E555 HydrophobicContact CD-CG 3.95Å; K553-E555 WeakPolarHBondContact CD-OE1 3.45Å; K553-E555 WeakPolarHBondContact CE-OE1 3.41Å; K553-E555 HydrophobicContact CG-CG 3.94Å; K553-E555 IonicContact NZ-OE1 3.91Å; K553-E555 PolarHBondContact NZ-OE1 3.15Å |
| 554 | I | 87.4 | Confident | 71.9 | Confident | 72 Ų | 72 | 82 Ų | 82 | 37% | 0.369 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 120.5 | 170.4 | -64.5 | 159.5 | 0 | 0 | 0 | 107.3 | I471 Q472 L473 M533 V537 | I471-I554 HydrophobicContact CG2-CG2 3.53Å; Q472-I554 WeakPolarHBondContact O-CA 3.39Å; L473-I554 HydrophobicContact CD1-CD1 4.41Å; L473-I554 HydrophobicContact CD1-CG1 3.56Å; M533-I554 HydrophobicContact CB-CD1 3.88Å; M533-I554 HydrophobicContact CE-CG1 4.37Å; M533-I554 HydrophobicContact CG-CG2 4.23Å; V537-I554 HydrophobicContact CG2-CD1 4.17Å |
| 555 | E | 83.5 | Confident | 70.1 | Confident | 51 Ų | 51 | 79.9 Ų | 79.9 | 24% | 0.238 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 140.7 | 176.3 | -62 | -175.9 | 138.2 | 0 | 0 | 109.4 | Q472 K474 K553 | Q472-E555 HydrophobicContact CG-CB 3.84Å; Q472-E555 WeakPolarHBondContact CG-O 3.08Å; Q472-E555 PolarHBondContact N-O 3.01Å; Q472-E555 PolarHBondContact NE2-OE2 2.82Å; Q472-E555 PolarHBondContact O-N 2.7Å; K474-E555 WeakPolarHBondContact CE-OE2 3.38Å; K474-E555 IonicContact NZ-OE2 3.44Å; K474-E555 PolarHBondContact NZ-OE2 2.9Å; K553-E555 HydrophobicContact CD-CG 3.95Å; K553-E555 WeakPolarHBondContact CD-OE1 3.45Å; K553-E555 WeakPolarHBondContact CE-OE1 3.41Å; K553-E555 HydrophobicContact CG-CG 3.94Å; K553-E555 IonicContact NZ-OE1 3.91Å; K553-E555 PolarHBondContact NZ-OE1 3.15Å |
| 556 | Q | 73.8 | Confident | 68.8 | Low | 142 Ų | 142 | 80.6 Ų | 80.6 | 66% | 0.664 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 128.1 | 171.4 | -67.6 | 179.2 | -6.2 | 0 | 0 | 108.6 | ||
| 557 | L | 67.3 | Low | 67.6 | Low | 57 Ų | 57 | 80.7 Ų | 80.7 | 30% | 0.298 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 129 | -179.8 | -164.1 | 73.3 | 0 | 0 | 0 | 110.2 | W470 Q472 L526 | W470-L557 HydrophobicContact CB-CB 4.2Å; W470-L557 PolarHBondContact O-N 3.24Å; Q472-L557 HydrophobicContact CB-CB 4.42Å; Q472-L557 HydrophobicContact CG-CB 4.36Å; L526-L557 HydrophobicContact CD1-CB 4.36Å; L526-L557 HydrophobicContact CD1-CD2 3.56Å |
| 558 | E | 57.7 | Low | 66.6 | Low | 65 Ų | 65 | 83.9 Ų | 83.9 | 30% | 0.304 | 44% | 0.435 | S | S | . | . | trans | -83.7 | 143 | -177.3 | -62.7 | 168.1 | -147.5 | 0 | 0 | 110.6 | R419 K560 | R419-E558 WeakPolarHBondContact CD-OE2 3.33Å; R419-E558 HydrophobicContact CG-CB 4.16Å; R419-E558 HydrophobicContact CG-CG 3.89Å; R419-E558 WeakPolarHBondContact CG-OE2 3.47Å; R419-E558 IonicContact CZ-OE1 3.33Å; R419-E558 IonicContact CZ-OE2 3.31Å; R419-E558 IonicContact NE-OE1 2.66Å; R419-E558 PolarHBondContact NE-OE1 3.14Å; R419-E558 VanDerWaalsContact NE-OE1 3.08Å; R419-E558 IonicContact NE-OE2 2.78Å; R419-E558 PolarHBondContact NE-OE2 3.31Å; R419-E558 IonicContact NH1-OE1 2.7Å; R419-E558 VanDerWaalsContact NH2-CD 3.29Å; R419-E558 IonicContact NH2-OE1 3.77Å; R419-E558 PolarHBondContact NH2-OE1 3.01Å; R419-E558 IonicContact NH2-OE2 3.7Å; E558-K560 PolarHBondContact O-N 3.33Å | ||
| 559 | D | 54.8 | Low | 65.6 | Low | 77 Ų | 77 | 85.2 Ų | 85.2 | 41% | 0.412 | 43% | 0.429 | S | S | . | . | trans | -65.2 | 106 | 164.3 | -142.2 | -3.5 | 0 | 0 | 0 | 107 | P469 | P469-D559 HydrophobicContact CB-CB 4.44Å; P469-D559 HydrophobicContact CG-CB 3.57Å | ||
| 560 | K | 52.4 | Low | 65.1 | Low | 74 Ų | 74 | 82.6 Ų | 82.6 | 32% | 0.322 | 40% | 0.4 | S | S | . | . | trans | -99.5 | 129.4 | 172.2 | -83.1 | -171.6 | 166.4 | -163 | 0 | 108.5 | E558 W562 E565 | E558-K560 PolarHBondContact O-N 3.33Å; K560-W562 HydrophobicContact CB-CD2 4.16Å; K560-W562 HydrophobicContact CB-CZ2 4.27Å; K560-W562 HydrophobicContact CD-CH2 4.17Å; K560-W562 HydrophobicContact CD-CZ2 4.41Å; K560-W562 HydrophobicContact CD-CZ3 4.3Å; K560-W562 PolarHBondContact O-N 3.19Å; K560-E565 WeakPolarHBondContact CD-OE2 3.47Å; K560-E565 VanDerWaalsContact NZ-CD 3.32Å; K560-E565 IonicContact NZ-OE1 3.33Å; K560-E565 PolarHBondContact NZ-OE1 3.05Å; K560-E565 IonicContact NZ-OE2 3.4Å; K560-E565 PolarHBondContact NZ-OE2 3.01Å | ||
| 561 | D | 51.1 | Low | 64.7 | Low | 76 Ų | 76 | 86.4 Ų | 86.4 | 41% | 0.406 | 42% | 0.418 | S | S | . | . | trans | -72.6 | 80 | 166.6 | -172.4 | -2.2 | 0 | 0 | 0 | 107.6 | E563 R564 E565 | D561-E563 PolarHBondContact O-N 3.02Å; D561-R564 HydrophobicContact CB-CB 4Å; D561-R564 WeakPolarHBondContact O-CA 3.33Å; D561-R564 VanDerWaalsContact O-CB 3.26Å; D561-R564 WeakPolarHBondContact O-CB 3.44Å; D561-R564 PolarHBondContact O-N 2.97Å; D561-E565 PolarHBondContact O-N 2.71Å | ||
| 562 | W | 53.2 | Low | 64.9 | Low | 170 Ų | 170 | 83.3 Ų | 83.3 | 64% | 0.644 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -56.8 | -31.4 | -174.2 | -65.2 | 103 | 0 | 0 | 0 | 112.3 | K560 R564 W566 | K560-W562 HydrophobicContact CB-CD2 4.16Å; K560-W562 HydrophobicContact CB-CZ2 4.27Å; K560-W562 HydrophobicContact CD-CH2 4.17Å; K560-W562 HydrophobicContact CD-CZ2 4.41Å; K560-W562 HydrophobicContact CD-CZ3 4.3Å; K560-W562 PolarHBondContact O-N 3.19Å; W562-R564 VanDerWaalsContact C-N 3.25Å; W562-R564 PolarHBondContact O-N 3.01Å; W562-W566 WeakPolarHBondContact O-CB 3.42Å; W562-W566 PolarHBondContact O-N 3.45Å |
| 563 | E | 50.5 | Low | 64.9 | Low | 151 Ų | 151 | 83.3 Ų | 83.3 | 71% | 0.706 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -55.8 | -44.2 | 171.1 | -67.8 | -172.1 | 168 | 0 | 0 | 110.5 | D561 M567 | D561-E563 PolarHBondContact O-N 3.02Å; E563-M567 WeakPolarHBondContact O-CB 3.4Å; E563-M567 WeakPolarHBondContact O-CG 3.27Å; E563-M567 PolarHBondContact O-N 2.96Å |
| 564 | R | 47.9 | Very low | 65.2 | Low | 70 Ų | 70 | 84.6 Ų | 84.6 | 26% | 0.264 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -72.4 | -41.7 | -176.7 | -160 | 177.9 | -172.7 | 176.7 | 3.8 | 113.8 | D561 W562 W566 M567 D568 | D561-R564 HydrophobicContact CB-CB 4Å; D561-R564 WeakPolarHBondContact O-CA 3.33Å; D561-R564 VanDerWaalsContact O-CB 3.26Å; D561-R564 WeakPolarHBondContact O-CB 3.44Å; D561-R564 PolarHBondContact O-N 2.97Å; W562-R564 VanDerWaalsContact C-N 3.25Å; W562-R564 PolarHBondContact O-N 3.01Å; R564-W566 VanDerWaalsContact C-N 3.33Å; R564-M567 PolarHBondContact O-N 3.29Å; R564-D568 PolarHBondContact O-N 3.42Å |
| 565 | E | 48.7 | Very low | 65.3 | Low | 77 Ų | 77 | 81.3 Ų | 81.3 | 36% | 0.36 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 179.9 | -166.3 | 172.8 | -152.6 | 0 | 0 | 110.8 | K560 D561 D568 N569 | K560-E565 WeakPolarHBondContact CD-OE2 3.47Å; K560-E565 VanDerWaalsContact NZ-CD 3.32Å; K560-E565 IonicContact NZ-OE1 3.33Å; K560-E565 PolarHBondContact NZ-OE1 3.05Å; K560-E565 IonicContact NZ-OE2 3.4Å; K560-E565 PolarHBondContact NZ-OE2 3.01Å; D561-E565 PolarHBondContact O-N 2.71Å; E565-D568 PolarHBondContact O-N 3.07Å; E565-N569 PolarHBondContact O-N 3.49Å; E565-N569 PolarHBondContact O-ND2 3.32Å |
| 566 | W | 56.4 | Low | 65.6 | Low | 90 Ų | 90 | 80.7 Ų | 80.7 | 34% | 0.341 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.3 | -37.3 | 174.4 | 174.7 | 79 | 0 | 0 | 0 | 112.1 | W562 R564 D568 N569 F570 W585 P600 T606 | W562-W566 WeakPolarHBondContact O-CB 3.42Å; W562-W566 PolarHBondContact O-N 3.45Å; R564-W566 VanDerWaalsContact C-N 3.33Å; W566-D568 VanDerWaalsContact C-N 3.34Å; W566-D568 PolarHBondContact O-N 3.45Å; W566-N569 PolarHBondContact O-N 3.04Å; W566-F570 HydrophobicContact CZ2-CG 4.43Å; W566-F570 PolarHBondContact O-N 3.41Å; W566-W585 HydrophobicContact CH2-CH2 4.05Å; W566-W585 AromaticContact CZ3-CH2 3.88Å; W566-W585 HydrophobicContact CZ3-CH2 3.88Å; W566-P600 HydrophobicContact CH2-CB 3.28Å; W566-P600 VanDerWaalsContact CH2-CD 3.46Å; W566-P600 HydrophobicContact CH2-CG 3.33Å; W566-P600 WeakPolarHBondContact CH2-O 3.31Å; W566-P600 HydrophobicContact CZ2-CB 3.47Å; W566-P600 VanDerWaalsContact CZ2-CB 3.47Å; W566-P600 HydrophobicContact CZ2-CG 3.45Å; W566-P600 VanDerWaalsContact CZ2-CG 3.45Å; W566-P600 HydrophobicContact CZ3-CB 4.36Å; W566-P600 WeakPolarHBondContact CZ3-O 3.31Å; W566-T606 HydrophobicContact CZ2-CG2 3.56Å |
| 567 | M | 60.2 | Low | 66.3 | Low | 33 Ų | 33 | 81.1 Ų | 81.1 | 16% | 0.163 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.6 | -35.5 | 174.2 | -76.7 | 175.1 | 93.5 | 0 | 0 | 114.2 | E563 R564 N569 W585 | E563-M567 WeakPolarHBondContact O-CB 3.4Å; E563-M567 WeakPolarHBondContact O-CG 3.27Å; E563-M567 PolarHBondContact O-N 2.96Å; R564-M567 PolarHBondContact O-N 3.29Å; M567-N569 VanDerWaalsContact C-N 3.32Å; M567-W585 HydrophobicContact CB-CH2 4.36Å; M567-W585 HydrophobicContact CB-CZ2 3.67Å; M567-W585 HydrophobicContact CE-CB 4.16Å; M567-W585 HydrophobicContact CE-CD2 3.33Å; M567-W585 HydrophobicContact CE-CE3 3.44Å; M567-W585 VanDerWaalsContact CE-CE3 3.44Å; M567-W585 HydrophobicContact CE-CG 3.67Å; M567-W585 HydrophobicContact CE-CH2 4.35Å; M567-W585 HydrophobicContact CE-CZ2 4.27Å; M567-W585 HydrophobicContact CE-CZ3 3.95Å; M567-W585 HydrophobicContact CG-CD2 4.35Å; M567-W585 HydrophobicContact CG-CE3 4.5Å; M567-W585 HydrophobicContact CG-CH2 3.74Å; M567-W585 HydrophobicContact CG-CZ2 3.55Å; M567-W585 HydrophobicContact CG-CZ3 4.2Å; M567-W585 PolarHBondContact O-NE1 3.4Å; M567-W585 VanDerWaalsContact O-NE1 3.09Å |
| 568 | D | 58.4 | Low | 67.4 | Low | 97 Ų | 97 | 83.7 Ų | 83.7 | 52% | 0.519 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -72.2 | -27.5 | -179.4 | -81.2 | -16.6 | 0 | 0 | 0 | 112 | R564 E565 W566 R586 | R564-D568 PolarHBondContact O-N 3.42Å; E565-D568 PolarHBondContact O-N 3.07Å; W566-D568 VanDerWaalsContact C-N 3.34Å; W566-D568 PolarHBondContact O-N 3.45Å; D568-R586 PolarHBondContact O-NH2 2.62Å |
| 569 | N | 61.2 | Low | 69.1 | Low | 119 Ų | 119 | 80.6 Ų | 80.6 | 64% | 0.636 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -89.6 | -14 | 177.6 | -69 | -37.5 | 0 | 0 | 0 | 113.8 | E565 W566 M567 H571 | E565-N569 PolarHBondContact O-N 3.49Å; E565-N569 PolarHBondContact O-ND2 3.32Å; W566-N569 PolarHBondContact O-N 3.04Å; M567-N569 VanDerWaalsContact C-N 3.32Å; N569-H571 PolarHBondContact O-CD2 2.95Å; N569-H571 VanDerWaalsContact O-CD2 3.25Å; N569-H571 PolarHBondContact O-N 3.24Å |
| 570 | F | 65.8 | Low | 71 | Confident | 8 Ų | 8 | 79.3 Ų | 79.3 | 4% | 0.035 | 37% | 0.365 | C | S | . | . | trans | -85.1 | 113.8 | 177.7 | -161.9 | -125.6 | 0 | 0 | 0 | 111 | W566 I581 P583 W585 R586 P600 T606 T608 | W566-F570 HydrophobicContact CZ2-CG 4.43Å; W566-F570 PolarHBondContact O-N 3.41Å; F570-I581 HydrophobicContact CZ-CG2 4.34Å; F570-P583 HydrophobicContact CD1-CB 3.69Å; F570-P583 HydrophobicContact CD1-CG 3.55Å; F570-P583 HydrophobicContact CE1-CB 4.14Å; F570-P583 HydrophobicContact CE1-CG 4.05Å; F570-P583 HydrophobicContact CG-CG 4.29Å; F570-P583 WeakPolarHBondContact O-CG 3.17Å; F570-W585 HydrophobicContact CB-CZ2 4.03Å; F570-W585 HydrophobicContact CD1-CH2 4.03Å; F570-W585 AromaticContact CD1-CZ2 3.97Å; F570-W585 HydrophobicContact CD1-CZ2 3.97Å; F570-R586 PolarHBondContact O-NE 3.26Å; F570-R586 PolarHBondContact O-NH2 2.9Å; F570-P600 HydrophobicContact CE1-CG 4.44Å; F570-T606 WeakPolarHBondContact CE2-O 3.34Å; F570-T606 WeakPolarHBondContact CZ-O 3.05Å; F570-T608 HydrophobicContact CD2-CG2 4.22Å; F570-T608 HydrophobicContact CE2-CG2 3.95Å | ||
| 571 | H | 76.7 | Confident | 72.8 | Confident | 98 Ų | 98 | 75.8 Ų | 75.8 | 45% | 0.454 | 35% | 0.35 | S | S | . | . | trans | -114.9 | 154.9 | -179 | -67.9 | -85.1 | 0 | 0 | 0 | 110.8 | N569 M573 R586 | N569-H571 PolarHBondContact O-CD2 2.95Å; N569-H571 VanDerWaalsContact O-CD2 3.25Å; N569-H571 PolarHBondContact O-N 3.24Å; H571-M573 WeakPolarHBondContact O-CG 3.38Å; H571-M573 PolarHBondContact O-N 2.95Å; H571-R586 PolarHBondContact CE1-NH1 3.4Å; H571-R586 PolarHBondContact CE1-NH2 3.5Å; H571-R586 VanDerWaalsContact ND1-CZ 3.34Å; H571-R586 PolarHBondContact ND1-NH1 2.97Å | ||
| 572 | P | 84.6 | Confident | 74.6 | Confident | 29 Ų | 29 | 72.2 Ų | 72.2 | 19% | 0.188 | 33% | 0.331 | C | S | . | . | trans | -56.3 | 130.5 | 170.8 | -25.1 | 35.9 | 0 | 0 | 0 | 111 | W580 I581 R586 P589 | P572-W580 HydrophobicContact CB-CE3 4.03Å; P572-W580 HydrophobicContact CB-CZ3 4.19Å; P572-I581 WeakPolarHBondContact CA-O 3.24Å; P572-R586 HydrophobicContact CG-CB 4.5Å; P572-P589 HydrophobicContact CB-CG 3.42Å; P572-P589 VanDerWaalsContact CB-CG 3.42Å; P572-P589 HydrophobicContact CG-CG 3.94Å | ||
| 573 | M | 86.3 | Confident | 76 | Confident | 77 Ų | 77 | 64.1 Ų | 64.1 | 38% | 0.379 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 136.3 | -178.9 | -70.7 | 176.8 | 71.4 | 0 | 0 | 110.5 | H571 F575 W580 I581 T608 | H571-M573 WeakPolarHBondContact O-CG 3.38Å; H571-M573 PolarHBondContact O-N 2.95Å; M573-F575 HydrophobicContact CB-CD2 4.49Å; M573-F575 HydrophobicContact CB-CE2 3.61Å; M573-F575 HydrophobicContact CB-CZ 3.95Å; M573-F575 HydrophobicContact CE-CZ 4.35Å; M573-F575 WeakPolarHBondContact O-CD2 3.22Å; M573-F575 WeakPolarHBondContact O-CE2 3.47Å; M573-W580 VanDerWaalsContact C-CE3 3.41Å; M573-W580 WeakPolarHBondContact O-CA 3.38Å; M573-I581 PolarHBondContact N-O 2.9Å; M573-I581 PolarHBondContact O-N 3.39Å; M573-T608 HydrophobicContact SD-CG2 3.86Å |
| 574 | R | 91.1 | Very high | 77.4 | Confident | 143 Ų | 143 | 59.3 Ų | 59.3 | 54% | 0.54 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 136.2 | 177.2 | -167.1 | 178.6 | 176.6 | -167.8 | -2.4 | 110.3 | E577 L579 W580 | R574-E577 PolarHBondContact NE-O 2.8Å; R574-E577 PolarHBondContact NH2-O 2.99Å; R574-L579 CarbonylContact C-O 3.55Å; R574-L579 WeakPolarHBondContact CA-O 3.16Å; R574-W580 HydrophobicContact CB-CD2 3.8Å; R574-W580 HydrophobicContact CB-CE3 3.97Å; R574-W580 HydrophobicContact CB-CG 4.47Å; R574-W580 HydrophobicContact CB-CH2 3.9Å; R574-W580 HydrophobicContact CB-CZ2 3.72Å; R574-W580 HydrophobicContact CB-CZ3 4Å; R574-W580 HydrophobicContact CG-CD2 4.18Å; R574-W580 HydrophobicContact CG-CG 4.49Å; R574-W580 HydrophobicContact CG-CZ2 4.05Å |
| 575 | F | 90.3 | Very high | 78.6 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 119.9 | 175.9 | -60.6 | -94.6 | 0 | 0 | 0 | 108.5 | M573 L579 I581 G607 S613 L616 Q617 | M573-F575 HydrophobicContact CB-CD2 4.49Å; M573-F575 HydrophobicContact CB-CE2 3.61Å; M573-F575 HydrophobicContact CB-CZ 3.95Å; M573-F575 HydrophobicContact CE-CZ 4.35Å; M573-F575 WeakPolarHBondContact O-CD2 3.22Å; M573-F575 WeakPolarHBondContact O-CE2 3.47Å; F575-L579 HydrophobicContact CB-CD2 4.49Å; F575-L579 PolarHBondContact N-O 3.34Å; F575-L579 WeakPolarHBondContact O-CB 3.26Å; F575-I581 HydrophobicContact CD2-CB 4.31Å; F575-I581 HydrophobicContact CD2-CG1 3.58Å; F575-I581 HydrophobicContact CE2-CB 3.81Å; F575-I581 HydrophobicContact CE2-CG1 3.41Å; F575-I581 VanDerWaalsContact CE2-CG1 3.41Å; F575-I581 HydrophobicContact CZ-CG1 4.38Å; F575-G607 VanDerWaalsContact CE1-O 3.26Å; F575-G607 WeakPolarHBondContact CE1-O 3.39Å; F575-G607 VanDerWaalsContact CZ-O 3.24Å; F575-G607 WeakPolarHBondContact CZ-O 3.32Å; F575-S613 WeakPolarHBondContact CD1-OG 3.44Å; F575-S613 WeakPolarHBondContact CE1-OG 3.34Å; F575-L616 HydrophobicContact CB-CB 3.8Å; F575-L616 HydrophobicContact CB-CD1 4.45Å; F575-L616 HydrophobicContact CD1-CB 4.03Å; F575-L616 HydrophobicContact CD1-CD1 3.79Å; F575-L616 HydrophobicContact CD2-CD1 3.94Å; F575-L616 HydrophobicContact CE1-CD1 3.94Å; F575-L616 HydrophobicContact CE2-CD1 4.09Å; F575-L616 HydrophobicContact CG-CB 3.97Å; F575-L616 HydrophobicContact CG-CD1 3.79Å; F575-L616 HydrophobicContact CZ-CD1 4.09Å; F575-Q617 HydrophobicContact CB-CG 4.43Å |
| 576 | G | 88.3 | Confident | 79.9 | Confident | 37 Ų | 37 | 59 Ų | 59 | 38% | 0.381 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | -147 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D620 | G576-D620 WeakPolarHBondContact CA-OD2 3.33Š|
| 577 | E | 89 | Confident | 81 | Confident | 152 Ų | 152 | 62 Ų | 62 | 71% | 0.71 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -37.3 | -178.9 | -62 | -152.4 | 153.6 | 0 | 0 | 112.9 | R574 D620 | R574-E577 PolarHBondContact NE-O 2.8Å; R574-E577 PolarHBondContact NH2-O 2.99Å; E577-D620 PolarHBondContact N-OD2 3.09Å |
| 578 | R | 91.2 | Very high | 82.3 | Confident | 111 Ų | 111 | 62.6 Ų | 62.6 | 42% | 0.419 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -21.9 | -167.9 | -50.8 | 169.2 | -67.9 | -177.6 | -2.3 | 114.1 | V594 D620 | R578-V594 HydrophobicContact CB-CG2 4.2Å; R578-V594 WeakPolarHBondContact O-CB 3.44Å; R578-V594 PolarHBondContact O-N 3.38Å; R578-D620 VanDerWaalsContact CB-OD1 3.32Å; R578-D620 WeakPolarHBondContact CB-OD1 3.35Å; R578-D620 IonicContact CZ-OD1 2.82Å; R578-D620 PolarHBondContact N-OD1 2.88Å; R578-D620 PolarHBondContact N-OD2 2.97Å; R578-D620 IonicContact NE-OD1 2.83Å; R578-D620 PolarHBondContact NE-OD1 2.76Å; R578-D620 VanDerWaalsContact NE-OD1 3.08Å; R578-D620 PolarHBondContact NH2-O 3.16Å; R578-D620 IonicContact NH2-OD1 2.63Å |
| 579 | L | 94 | Very high | 83.5 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 132 | -168.9 | -178.1 | 66.4 | 0 | 0 | 0 | 112.6 | R574 F575 I581 V594 V596 L616 D620 A642 L646 | R574-L579 CarbonylContact C-O 3.55Å; R574-L579 WeakPolarHBondContact CA-O 3.16Å; F575-L579 HydrophobicContact CB-CD2 4.49Å; F575-L579 PolarHBondContact N-O 3.34Å; F575-L579 WeakPolarHBondContact O-CB 3.26Å; L579-I581 HydrophobicContact CD1-CD1 4.44Å; L579-I581 HydrophobicContact CD2-CD1 4.44Å; L579-I581 HydrophobicContact CG-CD1 4.34Å; L579-V594 CarbonylContact C-O 3.51Å; L579-V594 WeakPolarHBondContact CA-O 3.48Å; L579-V594 HydrophobicContact CD1-CB 4.28Å; L579-V594 HydrophobicContact CD1-CG1 3.78Å; L579-V596 HydrophobicContact CD1-CG2 3.68Å; L579-L616 HydrophobicContact CD2-CB 4.16Å; L579-L616 HydrophobicContact CD2-CD2 3.82Å; L579-D620 HydrophobicContact CB-CB 4.37Å; L579-A642 HydrophobicContact CD1-CB 4.29Å; L579-A642 HydrophobicContact CD2-CB 3.83Å; L579-L646 HydrophobicContact CB-CD2 4.45Å; L579-L646 HydrophobicContact CD2-CD1 4.22Å |
| 580 | W | 93.9 | Very high | 84.8 | Confident | 49 Ų | 49 | 59.1 Ų | 59.1 | 19% | 0.186 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 133 | 170.2 | -75.3 | 83.8 | 0 | 0 | 0 | 110.3 | P572 M573 R574 P589 V594 V596 | P572-W580 HydrophobicContact CB-CE3 4.03Å; P572-W580 HydrophobicContact CB-CZ3 4.19Å; M573-W580 VanDerWaalsContact C-CE3 3.41Å; M573-W580 WeakPolarHBondContact O-CA 3.38Å; R574-W580 HydrophobicContact CB-CD2 3.8Å; R574-W580 HydrophobicContact CB-CE3 3.97Å; R574-W580 HydrophobicContact CB-CG 4.47Å; R574-W580 HydrophobicContact CB-CH2 3.9Å; R574-W580 HydrophobicContact CB-CZ2 3.72Å; R574-W580 HydrophobicContact CB-CZ3 4Å; R574-W580 HydrophobicContact CG-CD2 4.18Å; R574-W580 HydrophobicContact CG-CG 4.49Å; R574-W580 HydrophobicContact CG-CZ2 4.05Å; W580-P589 HydrophobicContact CD2-CG 4.33Å; W580-P589 HydrophobicContact CE3-CB 4.39Å; W580-P589 HydrophobicContact CE3-CG 3.78Å; W580-P589 HydrophobicContact CH2-CB 4.01Å; W580-P589 HydrophobicContact CH2-CG 4.07Å; W580-P589 HydrophobicContact CZ2-CB 4.21Å; W580-P589 HydrophobicContact CZ3-CB 4.11Å; W580-P589 HydrophobicContact CZ3-CG 3.65Å; W580-V594 PolarHBondContact N-O 3.1Å; W580-V596 PolarHBondContact O-N 3.13Å |
| 581 | I | 90.8 | Very high | 85.7 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 121.1 | 167 | -51.2 | -56.4 | 0 | 0 | 0 | 107.3 | F570 P572 M573 F575 L579 V596 L598 L616 I638 | F570-I581 HydrophobicContact CZ-CG2 4.34Å; P572-I581 WeakPolarHBondContact CA-O 3.24Å; M573-I581 PolarHBondContact N-O 2.9Å; M573-I581 PolarHBondContact O-N 3.39Å; F575-I581 HydrophobicContact CD2-CB 4.31Å; F575-I581 HydrophobicContact CD2-CG1 3.58Å; F575-I581 HydrophobicContact CE2-CB 3.81Å; F575-I581 HydrophobicContact CE2-CG1 3.41Å; F575-I581 VanDerWaalsContact CE2-CG1 3.41Å; F575-I581 HydrophobicContact CZ-CG1 4.38Å; L579-I581 HydrophobicContact CD1-CD1 4.44Å; L579-I581 HydrophobicContact CD2-CD1 4.44Å; L579-I581 HydrophobicContact CG-CD1 4.34Å; I581-V596 HydrophobicContact CD1-CB 3.69Å; I581-V596 HydrophobicContact CD1-CG1 4.04Å; I581-V596 HydrophobicContact CD1-CG2 4.08Å; I581-L598 HydrophobicContact CG2-CB 4.02Å; I581-L598 HydrophobicContact CG2-CD2 4.17Å; I581-L616 HydrophobicContact CD1-CD1 4.15Å; I581-L616 HydrophobicContact CD1-CD2 4.3Å; I581-L616 HydrophobicContact CG1-CD1 3.85Å; I581-I638 HydrophobicContact CD1-CD1 4.24Å; I581-I638 HydrophobicContact CD1-CG1 4.13Å; I581-I638 HydrophobicContact CG1-CD1 4.2Å; I581-I638 HydrophobicContact CG2-CD1 4.15Å |
| 582 | C | 87.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 132.9 | -171.2 | -66.7 | 0 | 0 | 0 | 0 | 110.2 | V588 V596 M597 L598 | C582-V588 HydrophobicContact CB-CG1 4.28Å; C582-V596 PolarHBondContact N-O 3.42Å; C582-M597 HydrophobicContact CB-CE 3.92Å; C582-M597 HydrophobicContact CB-SD 3.74Å; C582-M597 CarbonylContact O-C 3.57Å; C582-M597 VanDerWaalsContact O-CA 3.29Å; C582-M597 WeakPolarHBondContact O-CA 3.46Å; C582-L598 PolarHBondContact O-N 3.36Å |
| 583 | P | 84.2 | Confident | 86.5 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 141.5 | 167.3 | -3.7 | 10.4 | 0 | 0 | 0 | 111 | F570 W585 R586 M597 | F570-P583 HydrophobicContact CD1-CB 3.69Å; F570-P583 HydrophobicContact CD1-CG 3.55Å; F570-P583 HydrophobicContact CE1-CB 4.14Å; F570-P583 HydrophobicContact CE1-CG 4.05Å; F570-P583 HydrophobicContact CG-CG 4.29Å; F570-P583 WeakPolarHBondContact O-CG 3.17Å; P583-W585 HydrophobicContact CB-CD2 3.59Å; P583-W585 HydrophobicContact CB-CE3 3.94Å; P583-W585 HydrophobicContact CB-CG 4.18Å; P583-W585 HydrophobicContact CB-CH2 3.89Å; P583-W585 HydrophobicContact CB-CZ2 3.51Å; P583-W585 HydrophobicContact CB-CZ3 4.09Å; P583-W585 HydrophobicContact CG-CZ2 4.32Å; P583-W585 PolarHBondContact O-N 2.95Å; P583-W585 VanDerWaalsContact O-N 3.07Å; P583-R586 HydrophobicContact CB-CG 4.45Å; P583-R586 HydrophobicContact CG-CB 4.22Å; P583-R586 HydrophobicContact CG-CG 4.09Å; P583-R586 PolarHBondContact O-N 2.9Å; P583-R586 VanDerWaalsContact O-N 3.17Å; P583-M597 WeakPolarHBondContact O-CE 3.39Å |
| 584 | S | 78 | Confident | 86.9 | Confident | 50 Ų | 50 | 67 Ų | 67 | 35% | 0.35 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -22.6 | 178.9 | 75.9 | 0 | 0 | 0 | 0 | 114.2 | D599 | S584-D599 WeakPolarHBondContact CB-OD1 3.35Å; S584-D599 PolarHBondContact N-OD1 3.49Å; S584-D599 PolarHBondContact OG-OD1 2.89Å; S584-D599 PolarHBondContact OG-OD2 3.35Å |
| 585 | W | 73.7 | Confident | 87 | Confident | 65 Ų | 65 | 61.3 Ų | 61.3 | 25% | 0.246 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 3.3 | -177.2 | 59.3 | 90 | 0 | 0 | 0 | 114.7 | W566 M567 F570 P583 D599 | W566-W585 HydrophobicContact CH2-CH2 4.05Å; W566-W585 AromaticContact CZ3-CH2 3.88Å; W566-W585 HydrophobicContact CZ3-CH2 3.88Å; M567-W585 HydrophobicContact CB-CH2 4.36Å; M567-W585 HydrophobicContact CB-CZ2 3.67Å; M567-W585 HydrophobicContact CE-CB 4.16Å; M567-W585 HydrophobicContact CE-CD2 3.33Å; M567-W585 HydrophobicContact CE-CE3 3.44Å; M567-W585 VanDerWaalsContact CE-CE3 3.44Å; M567-W585 HydrophobicContact CE-CG 3.67Å; M567-W585 HydrophobicContact CE-CH2 4.35Å; M567-W585 HydrophobicContact CE-CZ2 4.27Å; M567-W585 HydrophobicContact CE-CZ3 3.95Å; M567-W585 HydrophobicContact CG-CD2 4.35Å; M567-W585 HydrophobicContact CG-CE3 4.5Å; M567-W585 HydrophobicContact CG-CH2 3.74Å; M567-W585 HydrophobicContact CG-CZ2 3.55Å; M567-W585 HydrophobicContact CG-CZ3 4.2Å; M567-W585 PolarHBondContact O-NE1 3.4Å; M567-W585 VanDerWaalsContact O-NE1 3.09Å; F570-W585 HydrophobicContact CB-CZ2 4.03Å; F570-W585 HydrophobicContact CD1-CH2 4.03Å; F570-W585 AromaticContact CD1-CZ2 3.97Å; F570-W585 HydrophobicContact CD1-CZ2 3.97Å; P583-W585 HydrophobicContact CB-CD2 3.59Å; P583-W585 HydrophobicContact CB-CE3 3.94Å; P583-W585 HydrophobicContact CB-CG 4.18Å; P583-W585 HydrophobicContact CB-CH2 3.89Å; P583-W585 HydrophobicContact CB-CZ2 3.51Å; P583-W585 HydrophobicContact CB-CZ3 4.09Å; P583-W585 HydrophobicContact CG-CZ2 4.32Å; P583-W585 PolarHBondContact O-N 2.95Å; P583-W585 VanDerWaalsContact O-N 3.07Å; W585-D599 WeakPolarHBondContact CZ3-OD1 3.48Å |
| 586 | R | 77.3 | Confident | 87.1 | Confident | 77 Ų | 77 | 61.1 Ų | 61.1 | 29% | 0.291 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -122.2 | 152.5 | 177.3 | -65.5 | -166.7 | -168.6 | -131.1 | 7.5 | 112 | D568 F570 H571 P572 P583 | D568-R586 PolarHBondContact O-NH2 2.62Å; F570-R586 PolarHBondContact O-NE 3.26Å; F570-R586 PolarHBondContact O-NH2 2.9Å; H571-R586 PolarHBondContact CE1-NH1 3.4Å; H571-R586 PolarHBondContact CE1-NH2 3.5Å; H571-R586 VanDerWaalsContact ND1-CZ 3.34Å; H571-R586 PolarHBondContact ND1-NH1 2.97Å; P572-R586 HydrophobicContact CG-CB 4.5Å; P583-R586 HydrophobicContact CB-CG 4.45Å; P583-R586 HydrophobicContact CG-CB 4.22Å; P583-R586 HydrophobicContact CG-CG 4.09Å; P583-R586 PolarHBondContact O-N 2.9Å; P583-R586 VanDerWaalsContact O-N 3.17Å |
| 587 | D | 79.4 | Confident | 87.2 | Confident | 153 Ų | 153 | 61.1 Ų | 61.1 | 82% | 0.818 | 31% | 0.307 | S | S | * | . | trans | -65.4 | 143.3 | 173 | -61.2 | -38.7 | 0 | 0 | 0 | 110.4 | ||||
| 588 | V | 86.3 | Confident | 87 | Confident | 45 Ų | 45 | 53.9 Ų | 53.9 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | trans | -72.3 | 135.2 | 175.6 | -65 | 0 | 0 | 0 | 0 | 110.1 | C582 D590 E591 N595 M597 | C582-V588 HydrophobicContact CB-CG1 4.28Å; V588-D590 PolarHBondContact O-N 3.18Å; V588-E591 HydrophobicContact CG2-CG 3.85Å; V588-N595 HydrophobicContact CG1-CB 4.02Å; V588-M597 HydrophobicContact CG1-SD 3.86Å | ||
| 589 | P | 84.4 | Confident | 86.3 | Confident | 72 Ų | 72 | 50.4 Ų | 50.4 | 47% | 0.468 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -67.7 | -32.9 | -178.5 | -24.7 | 35.8 | 0 | 0 | 0 | 114.4 | P572 W580 | P572-P589 HydrophobicContact CB-CG 3.42Å; P572-P589 VanDerWaalsContact CB-CG 3.42Å; P572-P589 HydrophobicContact CG-CG 3.94Å; W580-P589 HydrophobicContact CD2-CG 4.33Å; W580-P589 HydrophobicContact CE3-CB 4.39Å; W580-P589 HydrophobicContact CE3-CG 3.78Å; W580-P589 HydrophobicContact CH2-CB 4.01Å; W580-P589 HydrophobicContact CH2-CG 4.07Å; W580-P589 HydrophobicContact CZ2-CB 4.21Å; W580-P589 HydrophobicContact CZ3-CB 4.11Å; W580-P589 HydrophobicContact CZ3-CG 3.65Å |
| 590 | D | 87.3 | Confident | 84.5 | Confident | 70 Ų | 70 | 50.8 Ų | 50.8 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | trans | -140 | 107.9 | 178.8 | -178.1 | 0.3 | 0 | 0 | 0 | 109.6 | V588 N592 A593 N595 | V588-D590 PolarHBondContact O-N 3.18Å; D590-N592 PolarHBondContact O-N 3.5Å; D590-N592 WeakPolarHBondContact OD1-CB 3.37Å; D590-N592 PolarHBondContact OD1-N 2.82Å; D590-A593 HydrophobicContact CB-CB 3.93Å; D590-A593 PolarHBondContact O-N 3.31Å; D590-N595 PolarHBondContact O-ND2 2.88Å | ||
| 591 | E | 86.3 | Confident | 82.8 | Confident | 168 Ų | 168 | 51.3 Ų | 51.3 | 79% | 0.785 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -21.6 | 179.9 | -66.2 | -177.1 | 176.8 | 0 | 0 | 113.3 | V588 | V588-E591 HydrophobicContact CG2-CG 3.85Š|
| 592 | N | 87.7 | Confident | 80.9 | Confident | 156 Ų | 156 | 59 Ų | 59 | 83% | 0.834 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -9.4 | 180 | -58.7 | -56.3 | 0 | 0 | 0 | 113 | D590 | D590-N592 PolarHBondContact O-N 3.5Å; D590-N592 WeakPolarHBondContact OD1-CB 3.37Å; D590-N592 PolarHBondContact OD1-N 2.82Å |
| 593 | A | 90.5 | Very high | 78.8 | Confident | 21 Ų | 21 | 59.8 Ų | 59.8 | 17% | 0.174 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -80.5 | 168.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D590 N595 | D590-A593 HydrophobicContact CB-CB 3.93Å; D590-A593 PolarHBondContact O-N 3.31Å; A593-N595 PolarHBondContact O-N 2.97Å; A593-N595 VanDerWaalsContact O-N 3.12Å; A593-N595 PolarHBondContact O-ND2 3.24Å |
| 594 | V | 93.1 | Very high | 77.1 | Confident | 32 Ų | 32 | 68.6 Ų | 68.6 | 19% | 0.194 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 99.2 | 174.1 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | R578 L579 W580 K645 L646 | R578-V594 HydrophobicContact CB-CG2 4.2Å; R578-V594 WeakPolarHBondContact O-CB 3.44Å; R578-V594 PolarHBondContact O-N 3.38Å; L579-V594 CarbonylContact C-O 3.51Å; L579-V594 WeakPolarHBondContact CA-O 3.48Å; L579-V594 HydrophobicContact CD1-CB 4.28Å; L579-V594 HydrophobicContact CD1-CG1 3.78Å; W580-V594 PolarHBondContact N-O 3.1Å; V594-K645 HydrophobicContact CG1-CB 3.56Å; V594-K645 WeakPolarHBondContact CG1-O 3.47Å; V594-L646 HydrophobicContact CB-CD2 4.43Å; V594-L646 HydrophobicContact CG1-CD2 4.24Å; V594-L646 HydrophobicContact CG1-CG 4.35Å; V594-L646 HydrophobicContact CG2-CD2 4.26Å |
| 595 | N | 93.8 | Very high | 75.9 | Confident | 25 Ų | 25 | 67.1 Ų | 67.1 | 13% | 0.134 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 123.8 | -178.5 | -66.7 | -75.9 | 0 | 0 | 0 | 111.4 | V588 D590 A593 | V588-N595 HydrophobicContact CG1-CB 4.02Å; D590-N595 PolarHBondContact O-ND2 2.88Å; A593-N595 PolarHBondContact O-N 2.97Å; A593-N595 VanDerWaalsContact O-N 3.12Å; A593-N595 PolarHBondContact O-ND2 3.24Å |
| 596 | V | 92.7 | Very high | 74.9 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 120.5 | 170.6 | 174.3 | 0 | 0 | 0 | 0 | 108.7 | L579 W580 I581 C582 I641 A642 K645 N671 | L579-V596 HydrophobicContact CD1-CG2 3.68Å; W580-V596 PolarHBondContact O-N 3.13Å; I581-V596 HydrophobicContact CD1-CB 3.69Å; I581-V596 HydrophobicContact CD1-CG1 4.04Å; I581-V596 HydrophobicContact CD1-CG2 4.08Å; C582-V596 PolarHBondContact N-O 3.42Å; V596-I641 HydrophobicContact CG1-CB 4.46Å; V596-I641 HydrophobicContact CG1-CG2 3.73Å; V596-I641 HydrophobicContact CG2-CG2 4.36Å; V596-A642 HydrophobicContact CG2-CB 4.31Å; V596-K645 HydrophobicContact CG2-CB 4.12Å; V596-K645 HydrophobicContact CG2-CG 4.01Å; V596-N671 WeakPolarHBondContact CA-OD1 3.34Å |
| 597 | M | 90.2 | Very high | 73.9 | Confident | 36 Ų | 36 | 61.5 Ų | 61.5 | 18% | 0.177 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 115.8 | 176.6 | -54.3 | -52 | -60.2 | 0 | 0 | 110 | C582 P583 V588 R670 N671 | C582-M597 HydrophobicContact CB-CE 3.92Å; C582-M597 HydrophobicContact CB-SD 3.74Å; C582-M597 CarbonylContact O-C 3.57Å; C582-M597 VanDerWaalsContact O-CA 3.29Å; C582-M597 WeakPolarHBondContact O-CA 3.46Å; P583-M597 WeakPolarHBondContact O-CE 3.39Å; V588-M597 HydrophobicContact CG1-SD 3.86Å; M597-R670 HydrophobicContact CB-CG 4Å; M597-N671 PolarHBondContact N-OD1 3.17Å; M597-N671 PolarHBondContact O-ND2 3.2Å |
| 598 | L | 84.2 | Confident | 73 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 128.3 | -176.6 | -159.9 | 80 | 0 | 0 | 0 | 110.3 | I581 C582 P600 I638 N667 | I581-L598 HydrophobicContact CG2-CB 4.02Å; I581-L598 HydrophobicContact CG2-CD2 4.17Å; C582-L598 PolarHBondContact O-N 3.36Å; L598-P600 VanDerWaalsContact C-CD 3.43Å; L598-P600 HydrophobicContact CD2-CG 3.8Å; L598-P600 HydrophobicContact CG-CG 4.16Å; L598-P600 WeakPolarHBondContact O-CD 3.43Å; L598-I638 HydrophobicContact CD1-CB 4.05Å; L598-I638 HydrophobicContact CD1-CG1 4.2Å; L598-I638 HydrophobicContact CD2-CB 4.32Å; L598-I638 HydrophobicContact CD2-CD1 3.75Å; L598-I638 HydrophobicContact CD2-CG1 4.08Å; L598-N667 HydrophobicContact CD1-CB 4.33Å |
| 599 | D | 76.1 | Confident | 72.6 | Confident | 38 Ų | 38 | 58.9 Ų | 58.9 | 20% | 0.203 | 33% | 0.33 | C | S | . | . | trans | -111.7 | 93.3 | 163 | -72.7 | -11.3 | 0 | 0 | 0 | 108 | S584 W585 G601 N667 R670 | S584-D599 WeakPolarHBondContact CB-OD1 3.35Å; S584-D599 PolarHBondContact N-OD1 3.49Å; S584-D599 PolarHBondContact OG-OD1 2.89Å; S584-D599 PolarHBondContact OG-OD2 3.35Å; W585-D599 WeakPolarHBondContact CZ3-OD1 3.48Å; D599-G601 PolarHBondContact O-N 2.9Å; D599-N667 PolarHBondContact N-OD1 3.27Å; D599-N667 VanDerWaalsContact N-OD1 3.11Å; D599-R670 IonicContact OD2-CZ 3.88Å; D599-R670 IonicContact OD2-NE 2.85Å; D599-R670 PolarHBondContact OD2-NE 2.88Å; D599-R670 IonicContact OD2-NH1 3.89Å; D599-R670 IonicContact OD2-NH2 3.82Å; D599-R670 PolarHBondContact OD2-NH2 2.88Å | ||
| 600 | P | 58 | Low | 72.5 | Confident | 9 Ų | 9 | 56 Ų | 56 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | trans | -62.3 | 104.8 | 167.5 | -16.3 | 22.3 | 0 | 0 | 0 | 108.1 | W566 F570 L598 T606 | W566-P600 HydrophobicContact CH2-CB 3.28Å; W566-P600 VanDerWaalsContact CH2-CD 3.46Å; W566-P600 HydrophobicContact CH2-CG 3.33Å; W566-P600 WeakPolarHBondContact CH2-O 3.31Å; W566-P600 HydrophobicContact CZ2-CB 3.47Å; W566-P600 VanDerWaalsContact CZ2-CB 3.47Å; W566-P600 HydrophobicContact CZ2-CG 3.45Å; W566-P600 VanDerWaalsContact CZ2-CG 3.45Å; W566-P600 HydrophobicContact CZ3-CB 4.36Å; W566-P600 WeakPolarHBondContact CZ3-O 3.31Å; F570-P600 HydrophobicContact CE1-CG 4.44Å; L598-P600 VanDerWaalsContact C-CD 3.43Å; L598-P600 HydrophobicContact CD2-CG 3.8Å; L598-P600 HydrophobicContact CG-CG 4.16Å; L598-P600 WeakPolarHBondContact O-CD 3.43Å; P600-T606 HydrophobicContact CB-CG2 3.88Å; P600-T606 HydrophobicContact CG-CG2 3.8Å | ||
| 601 | G | 58.3 | Low | 72.5 | Confident | 60 Ų | 60 | 53 Ų | 53 | 62% | 0.619 | 30% | 0.296 | S | S | * | . | trans | -75.6 | -132.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110 | D599 A603 | D599-G601 PolarHBondContact O-N 2.9Å; G601-A603 PolarHBondContact O-N 3.44Å | ||
| 602 | L | 49.4 | Very low | 72.7 | Confident | 163 Ų | 163 | 45.3 Ų | 45.3 | 85% | 0.853 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -71.6 | -8.9 | 171.9 | -69.8 | 163.3 | 0 | 0 | 0 | 113.7 | ||
| 603 | A | 43.1 | Very low | 72.8 | Confident | 16 Ų | 16 | 38.1 Ų | 38.1 | 13% | 0.132 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -88.5 | 131.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G601 A663 | G601-A603 PolarHBondContact O-N 3.44Å; A603-A663 HydrophobicContact CB-CB 3.79Å |
| 604 | F | 50.3 | Low | 72.9 | Confident | 184 Ų | 184 | 37.3 Ų | 37.3 | 81% | 0.807 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -61.6 | 149.1 | 177.6 | -97.6 | -100.4 | 0 | 0 | 0 | 112.6 | ||
| 605 | G | 51.8 | Low | 73 | Confident | 19 Ų | 19 | 35.8 Ų | 35.8 | 20% | 0.196 | 21% | 0.206 | C | C | . | . | trans | 111.9 | 71.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G607 S636 | G605-G607 VanDerWaalsContact C-N 3.3Å; G605-S636 PolarHBondContact O-OG 3.02Å | ||
| 606 | T | 53.6 | Low | 73.1 | Confident | 24 Ų | 24 | 34.6 Ų | 34.6 | 15% | 0.147 | 20% | 0.199 | C | C | . | . | trans | -83.1 | -3.1 | 177.6 | 60.9 | 0 | 0 | 0 | 0 | 113.5 | W566 F570 P600 T608 | W566-T606 HydrophobicContact CZ2-CG2 3.56Å; F570-T606 WeakPolarHBondContact CE2-O 3.34Å; F570-T606 WeakPolarHBondContact CZ-O 3.05Å; P600-T606 HydrophobicContact CB-CG2 3.88Å; P600-T606 HydrophobicContact CG-CG2 3.8Å; T606-T608 PolarHBondContact O-N 3.11Å; T606-T608 PolarHBondContact OG1-N 3.37Å; T606-T608 PolarHBondContact OG1-OG1 3.28Å | ||
| 607 | G | 55.7 | Low | 73.1 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 80 | -14 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | F575 G605 H609 | F575-G607 VanDerWaalsContact CE1-O 3.26Å; F575-G607 WeakPolarHBondContact CE1-O 3.39Å; F575-G607 VanDerWaalsContact CZ-O 3.24Å; F575-G607 WeakPolarHBondContact CZ-O 3.32Å; G605-G607 VanDerWaalsContact C-N 3.3Å; G607-H609 VanDerWaalsContact C-N 3.32Å; G607-H609 PolarHBondContact O-N 3.04Å |
| 608 | T | 61 | Low | 73.4 | Confident | 76 Ų | 76 | 37.1 Ų | 37.1 | 47% | 0.466 | 21% | 0.21 | S | C | . | . | trans | -73.1 | -26.6 | -179.4 | 63.1 | 0 | 0 | 0 | 0 | 112.6 | F570 M573 T606 | F570-T608 HydrophobicContact CD2-CG2 4.22Å; F570-T608 HydrophobicContact CE2-CG2 3.95Å; M573-T608 HydrophobicContact SD-CG2 3.86Å; T606-T608 PolarHBondContact O-N 3.11Å; T606-T608 PolarHBondContact OG1-N 3.37Å; T606-T608 PolarHBondContact OG1-OG1 3.28Å | ||
| 609 | H | 76.8 | Confident | 74 | Confident | 68 Ų | 68 | 37.1 Ų | 37.1 | 32% | 0.315 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -66.5 | 137.2 | -179.4 | -162 | -95.1 | 0 | 0 | 0 | 111 | G607 T611 T612 S613 W752 | G607-H609 VanDerWaalsContact C-N 3.32Å; G607-H609 PolarHBondContact O-N 3.04Å; H609-T611 PolarHBondContact ND1-OG1 3.02Å; H609-T611 PolarHBondContact O-N 3.39Å; H609-T611 VanDerWaalsContact O-N 3.12Å; H609-T612 PolarHBondContact O-N 2.82Å; H609-T612 VanDerWaalsContact O-N 3.11Å; H609-S613 PolarHBondContact O-N 2.88Å; H609-W752 AromaticContact CE1-CD2 3.74Å; H609-W752 AromaticContact CE1-CE2 3.31Å; H609-W752 AromaticContact CE1-CZ2 3.52Å; H609-W752 AromaticContact CE1-NE1 3.51Å; H609-W752 AromaticContact NE2-CE2 3.75Å; H609-W752 AromaticContact NE2-CZ2 3.77Å; H609-W752 AromaticContact NE2-NE1 3.72Å |
| 610 | P | 82.7 | Confident | 75 | Confident | 11 Ų | 11 | 35.7 Ų | 35.7 | 7% | 0.071 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -52.5 | -37.8 | -176.1 | -31.4 | 37.5 | 0 | 0 | 0 | 114.2 | S613 L614 K749 E750 W752 | P610-S613 WeakPolarHBondContact O-CB 3.33Å; P610-S613 PolarHBondContact O-N 3Å; P610-L614 VanDerWaalsContact O-CG 3.31Å; P610-L614 WeakPolarHBondContact O-CG 3.29Å; P610-L614 PolarHBondContact O-N 3.4Å; P610-K749 HydrophobicContact CB-CD 4.49Å; P610-K749 HydrophobicContact CB-CG 4.29Å; P610-K749 WeakPolarHBondContact CB-O 3.36Å; P610-E750 HydrophobicContact CB-CB 4.26Å; P610-E750 HydrophobicContact CG-CB 3.81Å; P610-E750 HydrophobicContact CG-CG 4.46Å; P610-E750 WeakPolarHBondContact CG-OE2 3.22Å; P610-W752 HydrophobicContact CB-CB 4.03Å; P610-W752 HydrophobicContact CB-CG 4.19Å |
| 611 | T | 87.6 | Confident | 76.7 | Confident | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.043 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.5 | -48.6 | 178.5 | 59.7 | 0 | 0 | 0 | 0 | 112.7 | H609 S613 L614 C615 N697 S723 W752 | H609-T611 PolarHBondContact ND1-OG1 3.02Å; H609-T611 PolarHBondContact O-N 3.39Å; H609-T611 VanDerWaalsContact O-N 3.12Å; T611-S613 VanDerWaalsContact C-N 3.31Å; T611-S613 PolarHBondContact O-N 2.79Å; T611-L614 PolarHBondContact O-N 2.79Å; T611-C615 PolarHBondContact O-N 3.1Å; T611-C615 VanDerWaalsContact O-N 3.13Å; T611-N697 VanDerWaalsContact CB-OD1 3.27Å; T611-N697 WeakPolarHBondContact CB-OD1 3.33Å; T611-N697 PolarHBondContact OG1-OD1 3.27Å; T611-S723 WeakPolarHBondContact CA-OG 3.41Å; T611-S723 WeakPolarHBondContact CB-OG 3.45Å; T611-W752 HydrophobicContact CG2-CB 3.69Å; T611-W752 HydrophobicContact CG2-CD2 3.46Å; T611-W752 VanDerWaalsContact CG2-CD2 3.46Å; T611-W752 HydrophobicContact CG2-CE3 3.23Å; T611-W752 HydrophobicContact CG2-CG 3.66Å; T611-W752 HydrophobicContact CG2-CZ3 4.02Å |
| 612 | T | 89.8 | Confident | 78.4 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 4% | 0.037 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.5 | -39.8 | 177.3 | -49.7 | 0 | 0 | 0 | 0 | 110 | H609 L614 C615 L616 I638 L639 N697 | H609-T612 PolarHBondContact O-N 2.82Å; H609-T612 VanDerWaalsContact O-N 3.11Å; T612-L614 VanDerWaalsContact C-N 3.33Å; T612-L614 PolarHBondContact O-N 2.95Å; T612-C615 PolarHBondContact O-N 3Å; T612-L616 HydrophobicContact CG2-CD1 4.04Å; T612-L616 HydrophobicContact CG2-CG 4.24Å; T612-L616 WeakPolarHBondContact O-CB 3.3Å; T612-L616 VanDerWaalsContact O-CG 3.29Å; T612-L616 WeakPolarHBondContact O-CG 3.5Å; T612-L616 PolarHBondContact O-N 3.09Å; T612-I638 HydrophobicContact CG2-CD1 4Å; T612-I638 HydrophobicContact CG2-CG2 3.79Å; T612-L639 HydrophobicContact CG2-CD2 4.01Å; T612-N697 PolarHBondContact OG1-ND2 3.12Å |
| 613 | S | 89.8 | Confident | 80.5 | Confident | 5 Ų | 5 | 34.9 Ų | 34.9 | 4% | 0.035 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.7 | -43.4 | 175.9 | -169.7 | 0 | 0 | 0 | 0 | 112.3 | F575 H609 P610 T611 L616 Q617 K749 | F575-S613 WeakPolarHBondContact CD1-OG 3.44Å; F575-S613 WeakPolarHBondContact CE1-OG 3.34Å; H609-S613 PolarHBondContact O-N 2.88Å; P610-S613 WeakPolarHBondContact O-CB 3.33Å; P610-S613 PolarHBondContact O-N 3Å; T611-S613 VanDerWaalsContact C-N 3.31Å; T611-S613 PolarHBondContact O-N 2.79Å; S613-L616 PolarHBondContact O-N 3.08Å; S613-Q617 WeakPolarHBondContact O-CB 3.16Å; S613-Q617 VanDerWaalsContact O-CG 3.23Å; S613-Q617 WeakPolarHBondContact O-CG 3.44Å; S613-Q617 PolarHBondContact O-N 3.21Å; S613-Q617 PolarHBondContact OG-NE2 3.36Å; S613-Q617 VanDerWaalsContact OG-NE2 3.11Å; S613-K749 PolarHBondContact OG-NZ 3.05Å |
| 614 | L | 93.3 | Very high | 83 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64 | -40.5 | 177.4 | -74.1 | 166.9 | 0 | 0 | 0 | 112.1 | P610 T611 T612 W618 V747 K749 R754 | P610-L614 VanDerWaalsContact O-CG 3.31Å; P610-L614 WeakPolarHBondContact O-CG 3.29Å; P610-L614 PolarHBondContact O-N 3.4Å; T611-L614 PolarHBondContact O-N 2.79Å; T612-L614 VanDerWaalsContact C-N 3.33Å; T612-L614 PolarHBondContact O-N 2.95Å; L614-W618 WeakPolarHBondContact O-CB 3.23Å; L614-W618 PolarHBondContact O-N 2.67Å; L614-W618 VanDerWaalsContact O-N 3.1Å; L614-V747 HydrophobicContact CD2-CG1 3.84Å; L614-K749 HydrophobicContact CD1-CB 4.02Å; L614-K749 HydrophobicContact CD2-CB 3.83Å; L614-K749 HydrophobicContact CG-CB 3.97Å; L614-R754 HydrophobicContact CB-CB 3.85Å; L614-R754 HydrophobicContact CB-CG 4.48Å; L614-R754 HydrophobicContact CD1-CB 4.08Å; L614-R754 HydrophobicContact CG-CB 4.38Å; L614-R754 WeakPolarHBondContact O-CD 3.49Å; L614-R754 PolarHBondContact O-NH1 3.48Å |
| 615 | C | 95.3 | Very high | 85.1 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.2 | -45.1 | 175.6 | -71.1 | 0 | 0 | 0 | 0 | 112.2 | T611 T612 Q617 W618 L619 L639 V695 S723 | T611-C615 PolarHBondContact O-N 3.1Å; T611-C615 VanDerWaalsContact O-N 3.13Å; T612-C615 PolarHBondContact O-N 3Å; C615-Q617 PolarHBondContact O-N 2.88Å; C615-W618 WeakPolarHBondContact O-CB 3.46Å; C615-W618 PolarHBondContact O-N 2.86Å; C615-L619 WeakPolarHBondContact O-CG 3.47Å; C615-L619 PolarHBondContact O-N 3.48Å; C615-L639 HydrophobicContact CB-CD1 3.83Å; C615-L639 HydrophobicContact CB-CD2 3.6Å; C615-L639 HydrophobicContact CB-CG 4.39Å; C615-V695 HydrophobicContact CB-CG1 4.21Å; C615-S723 WeakPolarHBondContact SG-CB 3.39Å |
| 616 | L | 94.9 | Very high | 87 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.1 | -43 | 178.7 | -70.1 | 172.4 | 0 | 0 | 0 | 112.1 | F575 L579 I581 T612 S613 W618 L619 D620 I638 L639 A642 | F575-L616 HydrophobicContact CB-CB 3.8Å; F575-L616 HydrophobicContact CB-CD1 4.45Å; F575-L616 HydrophobicContact CD1-CB 4.03Å; F575-L616 HydrophobicContact CD1-CD1 3.79Å; F575-L616 HydrophobicContact CD2-CD1 3.94Å; F575-L616 HydrophobicContact CE1-CD1 3.94Å; F575-L616 HydrophobicContact CE2-CD1 4.09Å; F575-L616 HydrophobicContact CG-CB 3.97Å; F575-L616 HydrophobicContact CG-CD1 3.79Å; F575-L616 HydrophobicContact CZ-CD1 4.09Å; L579-L616 HydrophobicContact CD2-CB 4.16Å; L579-L616 HydrophobicContact CD2-CD2 3.82Å; I581-L616 HydrophobicContact CD1-CD1 4.15Å; I581-L616 HydrophobicContact CD1-CD2 4.3Å; I581-L616 HydrophobicContact CG1-CD1 3.85Å; T612-L616 HydrophobicContact CG2-CD1 4.04Å; T612-L616 HydrophobicContact CG2-CG 4.24Å; T612-L616 WeakPolarHBondContact O-CB 3.3Å; T612-L616 VanDerWaalsContact O-CG 3.29Å; T612-L616 WeakPolarHBondContact O-CG 3.5Å; T612-L616 PolarHBondContact O-N 3.09Å; S613-L616 PolarHBondContact O-N 3.08Å; L616-W618 VanDerWaalsContact C-N 3.28Å; L616-W618 PolarHBondContact O-N 3.27Å; L616-L619 PolarHBondContact O-N 3.16Å; L616-D620 WeakPolarHBondContact O-CB 3.37Å; L616-D620 PolarHBondContact O-N 2.78Å; L616-I638 HydrophobicContact CD1-CD1 4.01Å; L616-I638 HydrophobicContact CD2-CG1 4.38Å; L616-L639 HydrophobicContact CD2-CD2 3.64Å; L616-L639 HydrophobicContact CG-CD2 3.8Å; L616-A642 HydrophobicContact CD2-CB 3.57Å |
| 617 | Q | 94.6 | Very high | 89.1 | Confident | 73 Ų | 73 | 33.7 Ų | 33.7 | 34% | 0.341 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.1 | -36.6 | 174.4 | -72.4 | 174.8 | 45.3 | 0 | 0 | 112 | F575 S613 C615 S621 | F575-Q617 HydrophobicContact CB-CG 4.43Å; S613-Q617 WeakPolarHBondContact O-CB 3.16Å; S613-Q617 VanDerWaalsContact O-CG 3.23Å; S613-Q617 WeakPolarHBondContact O-CG 3.44Å; S613-Q617 PolarHBondContact O-N 3.21Å; S613-Q617 PolarHBondContact OG-NE2 3.36Å; S613-Q617 VanDerWaalsContact OG-NE2 3.11Å; C615-Q617 PolarHBondContact O-N 2.88Å; Q617-S621 PolarHBondContact O-N 2.94Å |
| 618 | W | 96 | Very high | 91.1 | Very high | 15 Ų | 15 | 35.4 Ų | 35.4 | 6% | 0.057 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.4 | -51.1 | 174.8 | -170.9 | 48 | 0 | 0 | 0 | 111.4 | L614 C615 L616 D620 S621 L622 V693 V695 L719 L720 G721 T756 | L614-W618 WeakPolarHBondContact O-CB 3.23Å; L614-W618 PolarHBondContact O-N 2.67Å; L614-W618 VanDerWaalsContact O-N 3.1Å; C615-W618 WeakPolarHBondContact O-CB 3.46Å; C615-W618 PolarHBondContact O-N 2.86Å; L616-W618 VanDerWaalsContact C-N 3.28Å; L616-W618 PolarHBondContact O-N 3.27Å; W618-D620 VanDerWaalsContact C-N 3.28Å; W618-D620 PolarHBondContact O-N 3.17Å; W618-S621 WeakPolarHBondContact O-CA 3.49Å; W618-S621 WeakPolarHBondContact O-CB 3.08Å; W618-S621 PolarHBondContact O-N 3.44Å; W618-S621 PolarHBondContact O-OG 2.93Å; W618-L622 HydrophobicContact CD2-CD1 4.23Å; W618-L622 HydrophobicContact CE3-CD1 4.49Å; W618-L622 HydrophobicContact CH2-CD1 4.31Å; W618-L622 HydrophobicContact CZ2-CD1 4.03Å; W618-L622 WeakPolarHBondContact O-CG 3.38Å; W618-L622 PolarHBondContact O-N 3.33Å; W618-V693 HydrophobicContact CH2-CG1 3.92Å; W618-V693 HydrophobicContact CZ3-CG1 3.93Å; W618-V695 HydrophobicContact CE3-CG2 4.46Å; W618-V695 HydrophobicContact CZ3-CG2 4Å; W618-L719 HydrophobicContact CH2-CB 3.95Å; W618-L719 HydrophobicContact CZ2-CB 3.97Å; W618-L719 HydrophobicContact CZ2-CD1 4.33Å; W618-L720 VanDerWaalsContact CH2-C 3.49Å; W618-G721 VanDerWaalsContact CZ3-CA 3.47Å; W618-T756 HydrophobicContact CD2-CG2 3.75Å; W618-T756 VanDerWaalsContact CE2-CG2 3.45Å; W618-T756 HydrophobicContact CE3-CG2 4.29Å; W618-T756 HydrophobicContact CG-CG2 4.11Å; W618-T756 HydrophobicContact CH2-CG2 4.32Å; W618-T756 HydrophobicContact CZ2-CG2 3.78Å |
| 619 | L | 97 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.8 | -41.1 | 178.6 | -72.2 | 173 | 0 | 0 | 0 | 112.1 | C615 L616 S621 L622 L624 L639 A643 L646 V693 V695 | C615-L619 WeakPolarHBondContact O-CG 3.47Å; C615-L619 PolarHBondContact O-N 3.48Å; L616-L619 PolarHBondContact O-N 3.16Å; L619-S621 PolarHBondContact O-N 2.83Å; L619-L622 PolarHBondContact O-N 3.43Å; L619-L622 VanDerWaalsContact O-N 3.16Å; L619-L624 HydrophobicContact CB-CD1 4.5Å; L619-L624 HydrophobicContact CD2-CD1 4.19Å; L619-L639 HydrophobicContact CD1-CB 4.15Å; L619-L639 HydrophobicContact CD1-CD2 4.37Å; L619-A643 HydrophobicContact CD1-CB 4.5Å; L619-L646 HydrophobicContact CB-CD1 4Å; L619-V693 HydrophobicContact CD2-CG1 4.39Å; L619-V695 HydrophobicContact CD1-CG2 4.49Å; L619-V695 HydrophobicContact CD2-CG2 3.94Å; L619-V695 HydrophobicContact CG-CG2 4.46Å |
| 620 | D | 96 | Very high | 93.9 | Very high | 9 Ų | 9 | 28.6 Ų | 28.6 | 5% | 0.048 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.4 | -25.7 | 175.9 | -176.1 | 61.4 | 0 | 0 | 0 | 113 | G576 E577 R578 L579 L616 W618 L622 L646 | G576-D620 WeakPolarHBondContact CA-OD2 3.33Å; E577-D620 PolarHBondContact N-OD2 3.09Å; R578-D620 VanDerWaalsContact CB-OD1 3.32Å; R578-D620 WeakPolarHBondContact CB-OD1 3.35Å; R578-D620 IonicContact CZ-OD1 2.82Å; R578-D620 PolarHBondContact N-OD1 2.88Å; R578-D620 PolarHBondContact N-OD2 2.97Å; R578-D620 IonicContact NE-OD1 2.83Å; R578-D620 PolarHBondContact NE-OD1 2.76Å; R578-D620 VanDerWaalsContact NE-OD1 3.08Å; R578-D620 PolarHBondContact NH2-O 3.16Å; R578-D620 IonicContact NH2-OD1 2.63Å; L579-D620 HydrophobicContact CB-CB 4.37Å; L616-D620 WeakPolarHBondContact O-CB 3.37Å; L616-D620 PolarHBondContact O-N 2.78Å; W618-D620 VanDerWaalsContact C-N 3.28Å; W618-D620 PolarHBondContact O-N 3.17Å; D620-L622 VanDerWaalsContact C-N 3.31Å; D620-L646 HydrophobicContact CB-CD1 4.29Å; D620-L646 HydrophobicContact CB-CD2 4.39Å; D620-L646 VanDerWaalsContact OD1-CD2 3.29Å; D620-L646 WeakPolarHBondContact OD1-CD2 3.36Å |
| 621 | S | 94.5 | Very high | 94.6 | Very high | 85 Ų | 85 | 28.2 Ų | 28.2 | 59% | 0.594 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -77.2 | -15 | 175.4 | 74.3 | 0 | 0 | 0 | 0 | 114 | Q617 W618 L619 | Q617-S621 PolarHBondContact O-N 2.94Å; W618-S621 WeakPolarHBondContact O-CA 3.49Å; W618-S621 WeakPolarHBondContact O-CB 3.08Å; W618-S621 PolarHBondContact O-N 3.44Å; W618-S621 PolarHBondContact O-OG 2.93Å; L619-S621 PolarHBondContact O-N 2.83Å |
| 622 | L | 93.9 | Very high | 94.9 | Very high | 26 Ų | 26 | 28.7 Ų | 28.7 | 14% | 0.136 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -91.3 | 149.3 | -177 | -60.7 | 177.9 | 0 | 0 | 0 | 111.8 | W618 L619 D620 L624 V693 L719 | W618-L622 HydrophobicContact CD2-CD1 4.23Å; W618-L622 HydrophobicContact CE3-CD1 4.49Å; W618-L622 HydrophobicContact CH2-CD1 4.31Å; W618-L622 HydrophobicContact CZ2-CD1 4.03Å; W618-L622 WeakPolarHBondContact O-CG 3.38Å; W618-L622 PolarHBondContact O-N 3.33Å; L619-L622 PolarHBondContact O-N 3.43Å; L619-L622 VanDerWaalsContact O-N 3.16Å; D620-L622 VanDerWaalsContact C-N 3.31Å; L622-L624 HydrophobicContact CB-CD2 3.91Å; L622-L624 HydrophobicContact CB-CG 4.15Å; L622-L624 HydrophobicContact CD1-CD2 4.21Å; L622-L624 PolarHBondContact O-N 3.33Å; L622-V693 HydrophobicContact CD1-CG1 4.22Å; L622-V693 HydrophobicContact CD1-CG2 4.32Å; L622-L719 HydrophobicContact CD1-CD1 4.08Å; L622-L719 HydrophobicContact CD2-CD1 3.74Å |
| 623 | D | 93.5 | Very high | 95 | Very high | 104 Ų | 104 | 29.4 Ų | 29.4 | 56% | 0.556 | 18% | 0.181 | S | C | * | . | trans | -81.7 | 108 | 158.6 | -178 | 13.6 | 0 | 0 | 0 | 108.7 | T625 K627 | D623-T625 VanDerWaalsContact OD1-CB 3.24Å; D623-T625 WeakPolarHBondContact OD1-CB 3.16Å; D623-T625 PolarHBondContact OD1-N 3.44Å; D623-T625 PolarHBondContact OD1-OG1 3.37Å; D623-K627 WeakPolarHBondContact O-CD 3.39Å; D623-K627 WeakPolarHBondContact O-CE 3.28Å; D623-K627 PolarHBondContact O-NZ 2.94Å | ||
| 624 | L | 96 | Very high | 95.1 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | trans | -97.3 | 1.3 | -180 | -62.6 | 178.4 | 0 | 0 | 0 | 112.7 | L619 L622 G626 K627 V629 A643 L646 G647 A648 V693 | L619-L624 HydrophobicContact CB-CD1 4.5Å; L619-L624 HydrophobicContact CD2-CD1 4.19Å; L622-L624 HydrophobicContact CB-CD2 3.91Å; L622-L624 HydrophobicContact CB-CG 4.15Å; L622-L624 HydrophobicContact CD1-CD2 4.21Å; L622-L624 PolarHBondContact O-N 3.33Å; L624-G626 PolarHBondContact O-N 2.96Å; L624-G626 VanDerWaalsContact O-N 3.14Å; L624-K627 HydrophobicContact CD2-CD 4.48Å; L624-K627 WeakPolarHBondContact O-CB 3.37Å; L624-K627 PolarHBondContact O-N 3.41Å; L624-V629 HydrophobicContact CD2-CG2 4.24Å; L624-A643 HydrophobicContact CD1-CB 3.99Å; L624-L646 HydrophobicContact CD1-CB 3.94Å; L624-L646 HydrophobicContact CD1-CD1 4.31Å; L624-G647 CarbonylContact O-C 3.54Å; L624-A648 HydrophobicContact CB-CB 4.3Å; L624-A648 VanDerWaalsContact O-CA 3.26Å; L624-A648 WeakPolarHBondContact O-CA 3.35Å; L624-A648 PolarHBondContact O-N 2.88Å; L624-V693 HydrophobicContact CD2-CG2 3.93Å | ||
| 625 | T | 94.3 | Very high | 94.9 | Very high | 100 Ų | 100 | 30 Ų | 30 | 61% | 0.613 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 120.5 | -175.9 | -51.3 | 0 | 0 | 0 | 0 | 111.1 | D623 K627 G647 | D623-T625 VanDerWaalsContact OD1-CB 3.24Å; D623-T625 WeakPolarHBondContact OD1-CB 3.16Å; D623-T625 PolarHBondContact OD1-N 3.44Å; D623-T625 PolarHBondContact OD1-OG1 3.37Å; T625-K627 PolarHBondContact O-N 2.91Å; T625-G647 WeakPolarHBondContact CA-O 3.43Å |
| 626 | G | 91.3 | Very high | 94.6 | Very high | 57 Ų | 57 | 30.1 Ų | 30.1 | 59% | 0.588 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 0.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L624 | L624-G626 PolarHBondContact O-N 2.96Å; L624-G626 VanDerWaalsContact O-N 3.14Å |
| 627 | K | 96.6 | Very high | 94.5 | Very high | 60 Ų | 60 | 30.1 Ų | 30.1 | 26% | 0.261 | 19% | 0.188 | S | C | . | . | trans | -87.7 | 153.8 | -175.4 | -64.2 | -170 | -178.5 | 169.2 | 0 | 113 | D623 L624 T625 A649 K650 D692 V693 | D623-K627 WeakPolarHBondContact O-CD 3.39Å; D623-K627 WeakPolarHBondContact O-CE 3.28Å; D623-K627 PolarHBondContact O-NZ 2.94Å; L624-K627 HydrophobicContact CD2-CD 4.48Å; L624-K627 WeakPolarHBondContact O-CB 3.37Å; L624-K627 PolarHBondContact O-N 3.41Å; T625-K627 PolarHBondContact O-N 2.91Å; K627-A649 PolarHBondContact O-N 3.13Å; K627-K650 PolarHBondContact O-N 2.79Å; K627-D692 WeakPolarHBondContact CA-OD2 3.5Å; K627-D692 HydrophobicContact CB-CB 3.91Å; K627-D692 HydrophobicContact CD-CB 3.99Å; K627-D692 HydrophobicContact CG-CB 4.02Å; K627-V693 HydrophobicContact CD-CG2 4.32Å | ||
| 628 | T | 97.8 | Very high | 94.4 | Very high | 36 Ų | 36 | 26.9 Ų | 26.9 | 22% | 0.221 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 132.7 | 165.8 | -56.3 | 0 | 0 | 0 | 0 | 109.4 | K650 I652 A691 D692 V693 | T628-K650 WeakPolarHBondContact CA-O 3.34Å; T628-K650 HydrophobicContact CG2-CB 4.36Å; T628-K650 HydrophobicContact CG2-CG 4.38Å; T628-I652 HydrophobicContact CG2-CD1 4.32Å; T628-A691 HydrophobicContact CG2-CB 4.15Å; T628-A691 WeakPolarHBondContact O-CB 3.37Å; T628-D692 PolarHBondContact N-OD2 2.78Å; T628-D692 PolarHBondContact O-N 2.97Å; T628-V693 PolarHBondContact O-N 3.13Å |
| 629 | V | 98.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132 | 179.9 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | L624 A643 A648 K650 A651 I652 V693 V695 | L624-V629 HydrophobicContact CD2-CG2 4.24Å; V629-A643 HydrophobicContact CB-CB 4.1Å; V629-A643 HydrophobicContact CG1-CB 4.03Å; V629-A643 HydrophobicContact CG2-CB 3.97Å; V629-A648 HydrophobicContact CG2-CB 3.88Å; V629-K650 PolarHBondContact N-O 2.79Å; V629-A651 CarbonylContact O-C 3.56Å; V629-A651 WeakPolarHBondContact O-CA 3.43Å; V629-I652 PolarHBondContact O-N 3.16Å; V629-V693 CarbonylContact C-O 3.57Å; V629-V693 VanDerWaalsContact CA-O 3.28Å; V629-V693 WeakPolarHBondContact CA-O 3.21Å; V629-V693 HydrophobicContact CG1-CB 4.29Å; V629-V693 HydrophobicContact CG1-CG1 4.42Å; V629-V693 HydrophobicContact CG2-CB 4.15Å; V629-V695 HydrophobicContact CG1-CG2 4.4Å |
| 630 | I | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 132.5 | 169.1 | -69.6 | 161.1 | 0 | 0 | 0 | 109 | F632 I652 I654 M689 A691 V693 V694 V695 L713 | I630-F632 HydrophobicContact CG2-CB 4.49Å; I630-I652 CarbonylContact C-O 3.58Å; I630-I652 WeakPolarHBondContact CA-O 3.44Å; I630-I652 HydrophobicContact CG1-CB 4.15Å; I630-I652 HydrophobicContact CG1-CD1 4.3Å; I630-I654 HydrophobicContact CG2-CD1 4.32Å; I630-M689 HydrophobicContact CD1-CG 3.7Å; I630-M689 HydrophobicContact CD1-SD 3.56Å; I630-M689 VanDerWaalsContact CD1-SD 3.56Å; I630-M689 HydrophobicContact CG1-CG 4.4Å; I630-M689 HydrophobicContact CG1-SD 3.84Å; I630-A691 HydrophobicContact CB-CB 4.22Å; I630-A691 HydrophobicContact CD1-CB 3.44Å; I630-A691 VanDerWaalsContact CD1-CB 3.44Å; I630-A691 HydrophobicContact CG1-CB 3.57Å; I630-V693 PolarHBondContact N-O 3.19Å; I630-V694 HydrophobicContact CB-CG1 4.41Å; I630-V694 HydrophobicContact CB-CG2 4.3Å; I630-V694 HydrophobicContact CD1-CG2 4.36Å; I630-V694 HydrophobicContact CG2-CG1 4.38Å; I630-V695 PolarHBondContact O-N 3.42Å; I630-L713 HydrophobicContact CD1-CB 4.21Å; I630-L713 HydrophobicContact CD1-CD2 4.42Å; I630-L713 HydrophobicContact CG2-CD1 4.44Å |
| 631 | D | 97.2 | Very high | 94.4 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 98.9 | 173 | -172.6 | 11.6 | 0 | 0 | 0 | 108.6 | C634 L639 A640 I652 G653 I654 | D631-C634 HydrophobicContact CB-CB 4.14Å; D631-C634 WeakPolarHBondContact OD2-CB 3.35Å; D631-L639 WeakPolarHBondContact OD2-CB 3.42Å; D631-A640 HydrophobicContact CB-CB 3.84Å; D631-A640 PolarHBondContact OD2-N 3.25Å; D631-I652 PolarHBondContact N-O 3.12Å; D631-G653 WeakPolarHBondContact O-CA 3.07Å; D631-I654 PolarHBondContact O-N 2.79Å |
| 632 | F | 95 | Very high | 94.5 | Very high | 17 Ų | 17 | 22 Ų | 22 | 8% | 0.075 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 112 | -174.6 | -159.7 | -72.3 | 0 | 0 | 0 | 109.6 | I630 I654 V695 A696 I698 L706 L709 I710 L713 | I630-F632 HydrophobicContact CG2-CB 4.49Å; F632-I654 HydrophobicContact CD2-CD1 3.96Å; F632-I654 HydrophobicContact CE2-CD1 4.16Å; F632-V695 PolarHBondContact N-O 3.49Å; F632-A696 HydrophobicContact CB-CB 3.93Å; F632-A696 WeakPolarHBondContact O-CA 3.48Å; F632-I698 HydrophobicContact CD1-CD1 4.09Å; F632-I698 HydrophobicContact CE1-CD1 4.27Å; F632-L706 HydrophobicContact CE1-CD1 3.85Å; F632-L706 HydrophobicContact CZ-CD1 4.21Å; F632-L709 HydrophobicContact CE2-CD2 4.2Å; F632-L709 HydrophobicContact CZ-CD2 4Å; F632-I710 HydrophobicContact CD1-CD1 4.37Å; F632-I710 HydrophobicContact CD2-CG1 4.42Å; F632-I710 HydrophobicContact CE1-CD1 4.44Å; F632-I710 HydrophobicContact CE2-CG1 4.39Å; F632-I710 HydrophobicContact CZ-CG1 4.47Å; F632-L713 HydrophobicContact CD2-CD1 3.84Å; F632-L713 HydrophobicContact CE2-CD1 4.2Å |
| 633 | G | 91.3 | Very high | 94.7 | Very high | 21 Ų | 21 | 20.7 Ų | 20.7 | 22% | 0.216 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 56.8 | -163.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G635 I654 | G633-G635 VanDerWaalsContact C-N 3.3Å; G633-G635 PolarHBondContact O-N 3.02Å; G633-I654 WeakPolarHBondContact CA-O 3.36Å; G633-I654 PolarHBondContact N-O 2.92Å |
| 634 | C | 92 | Very high | 94.9 | Very high | 5 Ų | 5 | 15.9 Ų | 15.9 | 3% | 0.034 | 11% | 0.109 | C | C | . | . | trans | -69.7 | -20.6 | -166.9 | 67.7 | 0 | 0 | 0 | 0 | 114.8 | D631 S636 G637 I654 D655 S664 | D631-C634 HydrophobicContact CB-CB 4.14Å; D631-C634 WeakPolarHBondContact OD2-CB 3.35Å; C634-S636 PolarHBondContact O-N 3.42Å; C634-S636 VanDerWaalsContact O-N 3.14Å; C634-G637 WeakPolarHBondContact O-CA 3.49Å; C634-G637 PolarHBondContact O-N 3.39Å; C634-I654 PolarHBondContact N-O 3.3Å; C634-D655 PolarHBondContact N-OD2 3.12Å; C634-S664 PolarHBondContact SG-OG 3.48Å; C634-S664 VanDerWaalsContact SG-OG 3.39Å | ||
| 635 | G | 89.8 | Confident | 94.9 | Very high | 17 Ų | 17 | 19.4 Ų | 19.4 | 18% | 0.175 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | -118 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G633 G637 D655 A660 S664 | G633-G635 VanDerWaalsContact C-N 3.3Å; G633-G635 PolarHBondContact O-N 3.02Å; G635-G637 PolarHBondContact O-N 2.83Å; G635-D655 PolarHBondContact N-OD2 3.05Å; G635-A660 CarbonylContact O-C 3.56Å; G635-A660 WeakPolarHBondContact O-CA 3.44Å; G635-A660 WeakPolarHBondContact O-CB 3.45Å; G635-S664 PolarHBondContact O-OG 3.08Å |
| 636 | S | 88.1 | Confident | 95 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.014 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -5 | 175.3 | 66.2 | 0 | 0 | 0 | 0 | 114.8 | G605 C634 I638 N667 | G605-S636 PolarHBondContact O-OG 3.02Å; C634-S636 PolarHBondContact O-N 3.42Å; C634-S636 VanDerWaalsContact O-N 3.14Å; S636-I638 VanDerWaalsContact C-N 3.31Å; S636-N667 PolarHBondContact O-ND2 3.02Å |
| 637 | G | 92.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 9% | 0.086 | C | C | . | . | S | Bend | trans | 81.3 | 9.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | C634 G635 L639 A640 I641 S664 | C634-G637 WeakPolarHBondContact O-CA 3.49Å; C634-G637 PolarHBondContact O-N 3.39Å; G635-G637 PolarHBondContact O-N 2.83Å; G637-L639 PolarHBondContact O-N 2.86Å; G637-A640 PolarHBondContact O-N 3.28Å; G637-I641 WeakPolarHBondContact O-CB 3.22Å; G637-I641 WeakPolarHBondContact O-CD1 3.27Å; G637-I641 WeakPolarHBondContact O-CG1 3.46Å; G637-I641 PolarHBondContact O-N 2.8Å; G637-S664 WeakPolarHBondContact CA-OG 3.45Å; G637-S664 PolarHBondContact N-OG 3.48Å |
| 638 | I | 93.3 | Very high | 95.2 | Very high | 6 Ų | 6 | 11.2 Ų | 11.2 | 3% | 0.031 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -58.6 | -43.1 | -170 | -168.9 | 179.9 | 0 | 0 | 0 | 113.2 | I581 L598 T612 L616 S636 A642 | I581-I638 HydrophobicContact CD1-CD1 4.24Å; I581-I638 HydrophobicContact CD1-CG1 4.13Å; I581-I638 HydrophobicContact CG1-CD1 4.2Å; I581-I638 HydrophobicContact CG2-CD1 4.15Å; L598-I638 HydrophobicContact CD1-CB 4.05Å; L598-I638 HydrophobicContact CD1-CG1 4.2Å; L598-I638 HydrophobicContact CD2-CB 4.32Å; L598-I638 HydrophobicContact CD2-CD1 3.75Å; L598-I638 HydrophobicContact CD2-CG1 4.08Å; T612-I638 HydrophobicContact CG2-CD1 4Å; T612-I638 HydrophobicContact CG2-CG2 3.79Å; L616-I638 HydrophobicContact CD1-CD1 4.01Å; L616-I638 HydrophobicContact CD2-CG1 4.38Å; S636-I638 VanDerWaalsContact C-N 3.31Å; I638-A642 WeakPolarHBondContact O-CB 3.48Å; I638-A642 PolarHBondContact O-N 3.22Å |
| 639 | L | 95.7 | Very high | 95.2 | Very high | 5 Ų | 5 | 11.9 Ų | 11.9 | 3% | 0.026 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -73.8 | -44.3 | -177.7 | -56.8 | 179.4 | 0 | 0 | 0 | 110.7 | T612 C615 L616 L619 D631 G637 I641 A642 A643 V695 N697 | T612-L639 HydrophobicContact CG2-CD2 4.01Å; C615-L639 HydrophobicContact CB-CD1 3.83Å; C615-L639 HydrophobicContact CB-CD2 3.6Å; C615-L639 HydrophobicContact CB-CG 4.39Å; L616-L639 HydrophobicContact CD2-CD2 3.64Å; L616-L639 HydrophobicContact CG-CD2 3.8Å; L619-L639 HydrophobicContact CD1-CB 4.15Å; L619-L639 HydrophobicContact CD1-CD2 4.37Å; D631-L639 WeakPolarHBondContact OD2-CB 3.42Å; G637-L639 PolarHBondContact O-N 2.86Å; L639-I641 PolarHBondContact O-N 3.4Å; L639-A642 PolarHBondContact O-N 3.08Å; L639-A643 WeakPolarHBondContact O-CB 3.26Å; L639-A643 PolarHBondContact O-N 3.48Å; L639-V695 HydrophobicContact CD1-CG1 3.85Å; L639-N697 HydrophobicContact CD1-CB 3.86Å |
| 640 | A | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.8 | -46 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D631 G637 A643 L644 A651 L677 | D631-A640 HydrophobicContact CB-CB 3.84Å; D631-A640 PolarHBondContact OD2-N 3.25Å; G637-A640 PolarHBondContact O-N 3.28Å; A640-A643 PolarHBondContact O-N 3.14Å; A640-L644 WeakPolarHBondContact O-CG 3.45Å; A640-L644 PolarHBondContact O-N 2.84Å; A640-L644 VanDerWaalsContact O-N 3.07Å; A640-A651 HydrophobicContact CB-CB 4.05Å; A640-L677 HydrophobicContact CB-CD1 3.66Å |
| 641 | I | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68.1 | -41 | 179 | -65.5 | 164 | 0 | 0 | 0 | 110.7 | V596 G637 L639 A643 L644 K645 N667 A668 N671 V673 L677 | V596-I641 HydrophobicContact CG1-CB 4.46Å; V596-I641 HydrophobicContact CG1-CG2 3.73Å; V596-I641 HydrophobicContact CG2-CG2 4.36Å; G637-I641 WeakPolarHBondContact O-CB 3.22Å; G637-I641 WeakPolarHBondContact O-CD1 3.27Å; G637-I641 WeakPolarHBondContact O-CG1 3.46Å; G637-I641 PolarHBondContact O-N 2.8Å; L639-I641 PolarHBondContact O-N 3.4Å; I641-A643 VanDerWaalsContact C-N 3.35Å; I641-A643 PolarHBondContact O-N 2.87Å; I641-L644 PolarHBondContact O-N 3.3Å; I641-K645 HydrophobicContact CG2-CG 4.39Å; I641-K645 WeakPolarHBondContact O-CB 3.48Å; I641-K645 WeakPolarHBondContact O-CG 3.46Å; I641-K645 PolarHBondContact O-N 2.78Å; I641-N667 VanDerWaalsContact CD1-C 3.5Å; I641-N667 HydrophobicContact CD1-CB 3.46Å; I641-N667 VanDerWaalsContact CD1-CB 3.46Å; I641-A668 HydrophobicContact CD1-CB 4.34Å; I641-A668 HydrophobicContact CG1-CB 4.34Å; I641-N671 HydrophobicContact CG2-CB 3.81Å; I641-V673 HydrophobicContact CG1-CG2 4.29Å; I641-V673 HydrophobicContact CG2-CG2 4.16Å; I641-L677 HydrophobicContact CG1-CD2 4.43Å |
| 642 | A | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.3 | -45.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L579 V596 L616 I638 L639 L644 K645 L646 | L579-A642 HydrophobicContact CD1-CB 4.29Å; L579-A642 HydrophobicContact CD2-CB 3.83Å; V596-A642 HydrophobicContact CG2-CB 4.31Å; L616-A642 HydrophobicContact CD2-CB 3.57Å; I638-A642 WeakPolarHBondContact O-CB 3.48Å; I638-A642 PolarHBondContact O-N 3.22Å; L639-A642 PolarHBondContact O-N 3.08Å; A642-L644 PolarHBondContact O-N 2.7Å; A642-K645 PolarHBondContact O-N 2.96Å; A642-L646 WeakPolarHBondContact O-CB 3.46Å; A642-L646 VanDerWaalsContact O-CG 3.28Å; A642-L646 WeakPolarHBondContact O-CG 3.42Å; A642-L646 PolarHBondContact O-N 3.35Å |
| 643 | A | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.1 | -45.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L619 L624 V629 L639 A640 I641 K645 L646 G647 A648 | L619-A643 HydrophobicContact CD1-CB 4.5Å; L624-A643 HydrophobicContact CD1-CB 3.99Å; V629-A643 HydrophobicContact CB-CB 4.1Å; V629-A643 HydrophobicContact CG1-CB 4.03Å; V629-A643 HydrophobicContact CG2-CB 3.97Å; L639-A643 WeakPolarHBondContact O-CB 3.26Å; L639-A643 PolarHBondContact O-N 3.48Å; A640-A643 PolarHBondContact O-N 3.14Å; I641-A643 VanDerWaalsContact C-N 3.35Å; I641-A643 PolarHBondContact O-N 2.87Å; A643-K645 VanDerWaalsContact C-N 3.32Å; A643-K645 PolarHBondContact O-N 3.18Å; A643-L646 PolarHBondContact O-N 3.37Å; A643-G647 PolarHBondContact O-N 2.9Å; A643-A648 HydrophobicContact CB-CB 4.24Å; A643-A648 WeakPolarHBondContact O-CB 3.36Å; A643-A648 PolarHBondContact O-N 2.78Å |
| 644 | L | 98.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.01 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.5 | -35.3 | 177.3 | -72.6 | 173.4 | 0 | 0 | 0 | 113.3 | A640 I641 A642 A648 A651 V673 R676 L677 | A640-L644 WeakPolarHBondContact O-CG 3.45Å; A640-L644 PolarHBondContact O-N 2.84Å; A640-L644 VanDerWaalsContact O-N 3.07Å; I641-L644 PolarHBondContact O-N 3.3Å; A642-L644 PolarHBondContact O-N 2.7Å; L644-A648 HydrophobicContact CD2-CB 4.32Å; L644-A651 HydrophobicContact CD1-CB 3.92Å; L644-A651 HydrophobicContact CD2-CB 3.97Å; L644-A651 HydrophobicContact CG-CB 3.71Å; L644-V673 HydrophobicContact CB-CB 4.24Å; L644-V673 HydrophobicContact CB-CG1 4.3Å; L644-V673 HydrophobicContact CB-CG2 4.42Å; L644-V673 HydrophobicContact CD1-CB 3.93Å; L644-V673 HydrophobicContact CD1-CG2 3.85Å; L644-R676 HydrophobicContact CD1-CB 4.24Å; L644-R676 HydrophobicContact CD2-CB 3.63Å; L644-R676 PolarHBondContact O-NH1 3.24Å; L644-L677 HydrophobicContact CD1-CB 3.88Å; L644-L677 HydrophobicContact CD1-CD1 4.45Å |
| 645 | K | 96.3 | Very high | 95.6 | Very high | 75 Ų | 75 | 14.2 Ų | 14.2 | 33% | 0.326 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -76.5 | -29.7 | 177 | -75 | -75.9 | -174.4 | 177.2 | 0 | 112.6 | V594 V596 I641 A642 A643 G647 N671 V673 | V594-K645 HydrophobicContact CG1-CB 3.56Å; V594-K645 WeakPolarHBondContact CG1-O 3.47Å; V596-K645 HydrophobicContact CG2-CB 4.12Å; V596-K645 HydrophobicContact CG2-CG 4.01Å; I641-K645 HydrophobicContact CG2-CG 4.39Å; I641-K645 WeakPolarHBondContact O-CB 3.48Å; I641-K645 WeakPolarHBondContact O-CG 3.46Å; I641-K645 PolarHBondContact O-N 2.78Å; A642-K645 PolarHBondContact O-N 2.96Å; A643-K645 VanDerWaalsContact C-N 3.32Å; A643-K645 PolarHBondContact O-N 3.18Å; K645-G647 VanDerWaalsContact C-N 3.28Å; K645-N671 WeakPolarHBondContact CE-O 3.45Å; K645-N671 PolarHBondContact NZ-O 2.97Å; K645-V673 HydrophobicContact CD-CG1 4.37Å; K645-V673 HydrophobicContact CG-CG1 4.5Å |
| 646 | L | 96.2 | Very high | 95.5 | Very high | 15 Ų | 15 | 19.5 Ų | 19.5 | 8% | 0.079 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -78.4 | -7.9 | 173.9 | -75.1 | 167.5 | 0 | 0 | 0 | 113.7 | L579 V594 L619 D620 L624 A642 A643 | L579-L646 HydrophobicContact CB-CD2 4.45Å; L579-L646 HydrophobicContact CD2-CD1 4.22Å; V594-L646 HydrophobicContact CB-CD2 4.43Å; V594-L646 HydrophobicContact CG1-CD2 4.24Å; V594-L646 HydrophobicContact CG1-CG 4.35Å; V594-L646 HydrophobicContact CG2-CD2 4.26Å; L619-L646 HydrophobicContact CB-CD1 4Å; D620-L646 HydrophobicContact CB-CD1 4.29Å; D620-L646 HydrophobicContact CB-CD2 4.39Å; D620-L646 VanDerWaalsContact OD1-CD2 3.29Å; D620-L646 WeakPolarHBondContact OD1-CD2 3.36Å; L624-L646 HydrophobicContact CD1-CB 3.94Å; L624-L646 HydrophobicContact CD1-CD1 4.31Å; A642-L646 WeakPolarHBondContact O-CB 3.46Å; A642-L646 VanDerWaalsContact O-CG 3.28Å; A642-L646 WeakPolarHBondContact O-CG 3.42Å; A642-L646 PolarHBondContact O-N 3.35Å; A643-L646 PolarHBondContact O-N 3.37Å |
| 647 | G | 95.5 | Very high | 95.3 | Very high | 30 Ų | 30 | 22.5 Ų | 22.5 | 31% | 0.309 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 123.7 | 1.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116 | L624 T625 A643 K645 A649 | L624-G647 CarbonylContact O-C 3.54Å; T625-G647 WeakPolarHBondContact CA-O 3.43Å; A643-G647 PolarHBondContact O-N 2.9Å; K645-G647 VanDerWaalsContact C-N 3.28Å; G647-A649 PolarHBondContact O-N 3.15Å |
| 648 | A | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -55.7 | 137.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | L624 V629 A643 L644 K650 R676 | L624-A648 HydrophobicContact CB-CB 4.3Å; L624-A648 VanDerWaalsContact O-CA 3.26Å; L624-A648 WeakPolarHBondContact O-CA 3.35Å; L624-A648 PolarHBondContact O-N 2.88Å; V629-A648 HydrophobicContact CG2-CB 3.88Å; A643-A648 HydrophobicContact CB-CB 4.24Å; A643-A648 WeakPolarHBondContact O-CB 3.36Å; A643-A648 PolarHBondContact O-N 2.78Å; L644-A648 HydrophobicContact CD2-CB 4.32Å; A648-K650 VanDerWaalsContact C-N 3.33Å; A648-R676 PolarHBondContact O-NH1 3.09Å | ||
| 649 | A | 97.4 | Very high | 94.4 | Very high | 51 Ų | 51 | 31.8 Ų | 31.8 | 42% | 0.421 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -70.7 | -36 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | K627 G647 R676 | K627-A649 PolarHBondContact O-N 3.13Å; G647-A649 PolarHBondContact O-N 3.15Å; A649-R676 WeakPolarHBondContact O-CD 3.37Å |
| 650 | K | 97.6 | Very high | 93.9 | Very high | 64 Ų | 64 | 31.7 Ų | 31.7 | 28% | 0.278 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 145.7 | -176.8 | -179.6 | 174 | 168.7 | 172.6 | 0 | 110.4 | K627 T628 V629 A648 R676 E678 | K627-K650 PolarHBondContact O-N 2.79Å; T628-K650 WeakPolarHBondContact CA-O 3.34Å; T628-K650 HydrophobicContact CG2-CB 4.36Å; T628-K650 HydrophobicContact CG2-CG 4.38Å; V629-K650 PolarHBondContact N-O 2.79Å; A648-K650 VanDerWaalsContact C-N 3.33Å; K650-R676 WeakPolarHBondContact CA-O 3.11Å; K650-E678 WeakPolarHBondContact CE-OE1 3.41Å; K650-E678 WeakPolarHBondContact CE-OE2 3.36Å; K650-E678 IonicContact NZ-OE1 3.54Å; K650-E678 PolarHBondContact NZ-OE1 3.12Å; K650-E678 IonicContact NZ-OE2 3.46Å; K650-E678 PolarHBondContact NZ-OE2 3.06Å |
| 651 | A | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 150.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V629 A640 L644 R676 L677 E678 | V629-A651 CarbonylContact O-C 3.56Å; V629-A651 WeakPolarHBondContact O-CA 3.43Å; A640-A651 HydrophobicContact CB-CB 4.05Å; L644-A651 HydrophobicContact CD1-CB 3.92Å; L644-A651 HydrophobicContact CD2-CB 3.97Å; L644-A651 HydrophobicContact CG-CB 3.71Å; A651-R676 PolarHBondContact N-O 2.74Å; A651-L677 HydrophobicContact CB-CD1 3.85Å; A651-L677 WeakPolarHBondContact O-CA 3.37Å; A651-E678 PolarHBondContact O-N 2.82Å |
| 652 | I | 97.7 | Very high | 93.2 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 118.3 | 177.8 | -54.5 | 169.8 | 0 | 0 | 0 | 107.8 | T628 V629 I630 D631 E678 Y680 M689 | T628-I652 HydrophobicContact CG2-CD1 4.32Å; V629-I652 PolarHBondContact O-N 3.16Å; I630-I652 CarbonylContact C-O 3.58Å; I630-I652 WeakPolarHBondContact CA-O 3.44Å; I630-I652 HydrophobicContact CG1-CB 4.15Å; I630-I652 HydrophobicContact CG1-CD1 4.3Å; D631-I652 PolarHBondContact N-O 3.12Å; I652-E678 CarbonylContact C-O 3.53Å; I652-E678 WeakPolarHBondContact CA-O 3.2Å; I652-E678 HydrophobicContact CG1-CB 4.38Å; I652-E678 HydrophobicContact CG2-CB 4.49Å; I652-Y680 HydrophobicContact CG2-CD2 3.7Å; I652-Y680 HydrophobicContact CG2-CE2 3.81Å; I652-M689 HydrophobicContact CB-SD 4.35Å; I652-M689 HydrophobicContact CD1-CE 4.48Å; I652-M689 HydrophobicContact CD1-CG 3.92Å; I652-M689 HydrophobicContact CD1-SD 3.94Å; I652-M689 HydrophobicContact CG2-CE 3.7Å; I652-M689 HydrophobicContact CG2-SD 3.78Å |
| 653 | G | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 134.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D631 E678 L679 Y680 | D631-G653 WeakPolarHBondContact O-CA 3.07Å; G653-E678 PolarHBondContact N-O 2.96Å; G653-L679 WeakPolarHBondContact O-CA 3.37Å; G653-Y680 PolarHBondContact O-N 3Å |
| 654 | I | 94.9 | Very high | 92.5 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 131.9 | 174 | -57.5 | 163.9 | 0 | 0 | 0 | 107.8 | I630 D631 F632 G633 C634 Y680 P682 M689 | I630-I654 HydrophobicContact CG2-CD1 4.32Å; D631-I654 PolarHBondContact O-N 2.79Å; F632-I654 HydrophobicContact CD2-CD1 3.96Å; F632-I654 HydrophobicContact CE2-CD1 4.16Å; G633-I654 WeakPolarHBondContact CA-O 3.36Å; G633-I654 PolarHBondContact N-O 2.92Å; C634-I654 PolarHBondContact N-O 3.3Å; I654-Y680 WeakPolarHBondContact CA-O 3.5Å; I654-P682 HydrophobicContact CG2-CG 4.34Å; I654-M689 HydrophobicContact CD1-CE 4.01Å; I654-M689 HydrophobicContact CD1-SD 3.9Å; I654-M689 HydrophobicContact CG1-CE 4.46Å |
| 655 | D | 93.8 | Very high | 92.3 | Very high | 20 Ų | 20 | 43.7 Ų | 43.7 | 11% | 0.107 | 23% | 0.231 | C | C | . | . | trans | -148 | 148.2 | 175 | -151 | -63.5 | 0 | 0 | 0 | 111.4 | C634 G635 D657 A660 I661 Y680 L681 P682 | C634-D655 PolarHBondContact N-OD2 3.12Å; G635-D655 PolarHBondContact N-OD2 3.05Å; D655-D657 VanDerWaalsContact C-N 3.33Å; D655-D657 PolarHBondContact OD1-N 3.48Å; D655-A660 HydrophobicContact CB-CB 4.05Å; D655-I661 HydrophobicContact CB-CD1 3.79Å; D655-I661 HydrophobicContact CB-CG1 4.24Å; D655-Y680 PolarHBondContact N-O 3.26Å; D655-L681 VanDerWaalsContact O-CD2 3.28Å; D655-L681 WeakPolarHBondContact O-CD2 2.93Å; D655-P682 WeakPolarHBondContact O-CD 3.47Å | ||
| 656 | I | 88.4 | Confident | 92 | Very high | 129 Ų | 129 | 43.4 Ų | 43.4 | 66% | 0.662 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -76.6 | -24.4 | 176.4 | 62.3 | 173.5 | 0 | 0 | 0 | 111.7 | P658 P682 | I656-P658 WeakPolarHBondContact O-CD 3.33Å; I656-P682 HydrophobicContact CG2-CG 3.85Å |
| 657 | D | 84.6 | Confident | 91.8 | Very high | 64 Ų | 64 | 42.8 Ų | 42.8 | 34% | 0.342 | 23% | 0.229 | S | C | . | . | trans | -94.5 | 117.8 | -176.4 | -179.3 | 8.5 | 0 | 0 | 0 | 111.8 | D655 Q659 A660 I661 | D655-D657 VanDerWaalsContact C-N 3.33Å; D655-D657 PolarHBondContact OD1-N 3.48Å; D657-Q659 PolarHBondContact O-N 2.84Å; D657-Q659 WeakPolarHBondContact OD1-CB 3.38Å; D657-Q659 PolarHBondContact OD1-N 3.43Å; D657-A660 HydrophobicContact CB-CB 4.01Å; D657-A660 WeakPolarHBondContact O-CB 3.31Å; D657-A660 PolarHBondContact O-N 2.84Å; D657-A660 VanDerWaalsContact O-N 3.12Å; D657-I661 PolarHBondContact O-N 2.72Å | ||
| 658 | P | 84.6 | Confident | 91.8 | Very high | 83 Ų | 83 | 41.4 Ų | 41.4 | 54% | 0.539 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -56 | -29 | 173 | -24.5 | 34.4 | 0 | 0 | 0 | 114.4 | I656 I661 Q662 L681 | I656-P658 WeakPolarHBondContact O-CD 3.33Å; P658-I661 PolarHBondContact O-N 3.13Å; P658-Q662 PolarHBondContact O-N 3.47Å; P658-Q662 VanDerWaalsContact O-N 3.08Å; P658-L681 HydrophobicContact CG-CD2 4.27Å |
| 659 | Q | 80.8 | Confident | 91.6 | Very high | 119 Ų | 119 | 48.1 Ų | 48.1 | 56% | 0.556 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -71.5 | -39 | 177.1 | -60.5 | -171.3 | 20.4 | 0 | 0 | 111.7 | D657 I661 Q662 A663 | D657-Q659 PolarHBondContact O-N 2.84Å; D657-Q659 WeakPolarHBondContact OD1-CB 3.38Å; D657-Q659 PolarHBondContact OD1-N 3.43Å; Q659-I661 VanDerWaalsContact C-N 3.32Å; Q659-I661 PolarHBondContact O-N 2.9Å; Q659-Q662 PolarHBondContact O-N 3.47Å; Q659-A663 WeakPolarHBondContact O-CB 3.43Å; Q659-A663 PolarHBondContact O-N 2.83Å |
| 660 | A | 85.7 | Confident | 91.2 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.9 | -42.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G635 D655 D657 Q662 A663 S664 | G635-A660 CarbonylContact O-C 3.56Å; G635-A660 WeakPolarHBondContact O-CA 3.44Å; G635-A660 WeakPolarHBondContact O-CB 3.45Å; D655-A660 HydrophobicContact CB-CB 4.05Å; D657-A660 HydrophobicContact CB-CB 4.01Å; D657-A660 WeakPolarHBondContact O-CB 3.31Å; D657-A660 PolarHBondContact O-N 2.84Å; D657-A660 VanDerWaalsContact O-N 3.12Å; A660-Q662 VanDerWaalsContact C-N 3.34Å; A660-Q662 PolarHBondContact O-N 2.9Å; A660-A663 PolarHBondContact O-N 2.89Å; A660-S664 WeakPolarHBondContact O-CB 3.38Å; A660-S664 PolarHBondContact O-N 2.86Å; A660-S664 PolarHBondContact O-OG 3.31Å; A660-S664 VanDerWaalsContact O-OG 3.05Å |
| 661 | I | 91.9 | Very high | 91 | Very high | 20 Ų | 20 | 47.8 Ų | 47.8 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.8 | -42.9 | 174.5 | -63.1 | -61.2 | 0 | 0 | 0 | 111.8 | D655 D657 P658 Q659 R665 L679 Y680 L681 | D655-I661 HydrophobicContact CB-CD1 3.79Å; D655-I661 HydrophobicContact CB-CG1 4.24Å; D657-I661 PolarHBondContact O-N 2.72Å; P658-I661 PolarHBondContact O-N 3.13Å; Q659-I661 VanDerWaalsContact C-N 3.32Å; Q659-I661 PolarHBondContact O-N 2.9Å; I661-R665 PolarHBondContact O-N 2.97Å; I661-R665 VanDerWaalsContact O-N 3.13Å; I661-L679 HydrophobicContact CD1-CB 4.3Å; I661-L679 HydrophobicContact CG2-CB 4.06Å; I661-L679 WeakPolarHBondContact O-CD1 3.39Å; I661-Y680 WeakPolarHBondContact CD1-O 3.32Å; I661-L681 HydrophobicContact CG1-CD2 3.99Å |
| 662 | Q | 88.2 | Confident | 90.8 | Very high | 95 Ų | 95 | 50.5 Ų | 50.5 | 44% | 0.444 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.7 | -44.8 | 176.8 | -172.6 | 60.1 | 50.1 | 0 | 0 | 111.7 | P658 Q659 A660 S664 R665 D666 | P658-Q662 PolarHBondContact O-N 3.47Å; P658-Q662 VanDerWaalsContact O-N 3.08Å; Q659-Q662 PolarHBondContact O-N 3.47Å; A660-Q662 VanDerWaalsContact C-N 3.34Å; A660-Q662 PolarHBondContact O-N 2.9Å; Q662-S664 VanDerWaalsContact C-N 3.34Å; Q662-S664 PolarHBondContact O-N 2.76Å; Q662-R665 WeakPolarHBondContact O-CB 3.48Å; Q662-R665 PolarHBondContact O-N 3.36Å; Q662-R665 VanDerWaalsContact O-N 3.12Å; Q662-D666 PolarHBondContact NE2-OD1 3.41Å; Q662-D666 PolarHBondContact O-N 2.82Å |
| 663 | A | 86.7 | Confident | 90.8 | Very high | 16 Ų | 16 | 50.2 Ų | 50.2 | 13% | 0.132 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A603 Q659 A660 R665 D666 N667 | A603-A663 HydrophobicContact CB-CB 3.79Å; Q659-A663 WeakPolarHBondContact O-CB 3.43Å; Q659-A663 PolarHBondContact O-N 2.83Å; A660-A663 PolarHBondContact O-N 2.89Å; A663-R665 VanDerWaalsContact C-N 3.31Å; A663-R665 PolarHBondContact O-N 3.27Å; A663-D666 PolarHBondContact O-N 2.89Å; A663-N667 WeakPolarHBondContact O-CB 3.08Å; A663-N667 PolarHBondContact O-N 3.13Å; A663-N667 PolarHBondContact O-ND2 2.7Å |
| 664 | S | 92.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.3 | -42 | 174 | -69.5 | 0 | 0 | 0 | 0 | 112 | C634 G635 G637 A660 Q662 A668 | C634-S664 PolarHBondContact SG-OG 3.48Å; C634-S664 VanDerWaalsContact SG-OG 3.39Å; G635-S664 PolarHBondContact O-OG 3.08Å; G637-S664 WeakPolarHBondContact CA-OG 3.45Å; G637-S664 PolarHBondContact N-OG 3.48Å; A660-S664 WeakPolarHBondContact O-CB 3.38Å; A660-S664 PolarHBondContact O-N 2.86Å; A660-S664 PolarHBondContact O-OG 3.31Å; A660-S664 VanDerWaalsContact O-OG 3.05Å; Q662-S664 VanDerWaalsContact C-N 3.34Å; Q662-S664 PolarHBondContact O-N 2.76Å; S664-A668 WeakPolarHBondContact O-CB 3.17Å; S664-A668 PolarHBondContact O-N 3.24Å |
| 665 | R | 93.5 | Very high | 90.7 | Very high | 123 Ų | 123 | 59 Ų | 59 | 46% | 0.464 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65 | -47.4 | 178.5 | -172.2 | -179.8 | -61.8 | -79.9 | -4 | 111.9 | I661 Q662 A663 N667 A668 E669 L679 | I661-R665 PolarHBondContact O-N 2.97Å; I661-R665 VanDerWaalsContact O-N 3.13Å; Q662-R665 WeakPolarHBondContact O-CB 3.48Å; Q662-R665 PolarHBondContact O-N 3.36Å; Q662-R665 VanDerWaalsContact O-N 3.12Å; A663-R665 VanDerWaalsContact C-N 3.31Å; A663-R665 PolarHBondContact O-N 3.27Å; R665-N667 VanDerWaalsContact C-N 3.34Å; R665-N667 PolarHBondContact O-N 3.02Å; R665-A668 PolarHBondContact O-N 2.66Å; R665-E669 PolarHBondContact O-N 3.26Å; R665-L679 HydrophobicContact CB-CD1 3.86Å |
| 666 | D | 90.3 | Very high | 90.9 | Very high | 68 Ų | 68 | 62 Ų | 62 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | -179.5 | -63.7 | -12.7 | 0 | 0 | 0 | 110.9 | Q662 A663 E669 R670 | Q662-D666 PolarHBondContact NE2-OD1 3.41Å; Q662-D666 PolarHBondContact O-N 2.82Å; A663-D666 PolarHBondContact O-N 2.89Å; D666-E669 PolarHBondContact O-N 3.01Å; D666-R670 PolarHBondContact O-N 2.81Å; D666-R670 VanDerWaalsContact O-N 3.1Å; D666-R670 PolarHBondContact O-NH1 2.86Å |
| 667 | N | 91.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.011 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.2 | -36.1 | 174.9 | -76.2 | -36.3 | 0 | 0 | 0 | 112.5 | L598 D599 S636 I641 A663 R665 R670 N671 | L598-N667 HydrophobicContact CD1-CB 4.33Å; D599-N667 PolarHBondContact N-OD1 3.27Å; D599-N667 VanDerWaalsContact N-OD1 3.11Å; S636-N667 PolarHBondContact O-ND2 3.02Å; I641-N667 VanDerWaalsContact CD1-C 3.5Å; I641-N667 HydrophobicContact CD1-CB 3.46Å; I641-N667 VanDerWaalsContact CD1-CB 3.46Å; A663-N667 WeakPolarHBondContact O-CB 3.08Å; A663-N667 PolarHBondContact O-N 3.13Å; A663-N667 PolarHBondContact O-ND2 2.7Å; R665-N667 VanDerWaalsContact C-N 3.34Å; R665-N667 PolarHBondContact O-N 3.02Å; N667-R670 PolarHBondContact O-N 2.97Å; N667-R670 PolarHBondContact OD1-NH1 2.91Å; N667-N671 PolarHBondContact O-N 2.81Å; N667-N671 VanDerWaalsContact O-N 3.15Å; N667-N671 PolarHBondContact O-ND2 3.47Å |
| 668 | A | 94.9 | Very high | 92 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 2% | 0.017 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.2 | -38.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I641 S664 R665 N671 G672 V673 S674 L677 | I641-A668 HydrophobicContact CD1-CB 4.34Å; I641-A668 HydrophobicContact CG1-CB 4.34Å; S664-A668 WeakPolarHBondContact O-CB 3.17Å; S664-A668 PolarHBondContact O-N 3.24Å; R665-A668 PolarHBondContact O-N 2.66Å; A668-N671 CarbonylContact O-C 3.54Å; A668-N671 PolarHBondContact O-N 2.82Å; A668-G672 PolarHBondContact O-N 2.86Å; A668-V673 HydrophobicContact CB-CG2 4.1Å; A668-V673 PolarHBondContact O-N 2.96Å; A668-S674 VanDerWaalsContact C-OG 3.28Å; A668-L677 HydrophobicContact CB-CB 4.4Å; A668-L677 HydrophobicContact CB-CD2 3.56Å |
| 669 | E | 93.5 | Very high | 92.6 | Very high | 141 Ų | 141 | 53.8 Ų | 53.8 | 66% | 0.659 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.8 | -46.4 | 176.4 | -175.4 | 175.7 | -175.6 | 0 | 0 | 110.9 | R665 D666 N671 G672 S674 | R665-E669 PolarHBondContact O-N 3.26Å; D666-E669 PolarHBondContact O-N 3.01Å; E669-N671 PolarHBondContact O-N 2.84Å; E669-G672 PolarHBondContact O-N 3.17Å; E669-S674 WeakPolarHBondContact CA-OG 3.35Å; E669-S674 PolarHBondContact N-OG 2.81Å |
| 670 | R | 89.3 | Confident | 93.3 | Very high | 98 Ų | 98 | 50.8 Ų | 50.8 | 37% | 0.37 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.5 | -32.3 | 176 | -172.6 | -176.8 | -74.2 | 90.7 | 4.6 | 112.9 | M597 D599 D666 N667 | M597-R670 HydrophobicContact CB-CG 4Å; D599-R670 IonicContact OD2-CZ 3.88Å; D599-R670 IonicContact OD2-NE 2.85Å; D599-R670 PolarHBondContact OD2-NE 2.88Å; D599-R670 IonicContact OD2-NH1 3.89Å; D599-R670 IonicContact OD2-NH2 3.82Å; D599-R670 PolarHBondContact OD2-NH2 2.88Å; D666-R670 PolarHBondContact O-N 2.81Å; D666-R670 VanDerWaalsContact O-N 3.1Å; D666-R670 PolarHBondContact O-NH1 2.86Å; N667-R670 PolarHBondContact O-N 2.97Å; N667-R670 PolarHBondContact OD1-NH1 2.91Å |
| 671 | N | 93.9 | Very high | 93.6 | Very high | 9 Ų | 9 | 52.3 Ų | 52.3 | 5% | 0.048 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -88.7 | -6.7 | 177.6 | -79.7 | -77.6 | 0 | 0 | 0 | 114 | V596 M597 I641 K645 N667 A668 E669 V673 | V596-N671 WeakPolarHBondContact CA-OD1 3.34Å; M597-N671 PolarHBondContact N-OD1 3.17Å; M597-N671 PolarHBondContact O-ND2 3.2Å; I641-N671 HydrophobicContact CG2-CB 3.81Å; K645-N671 WeakPolarHBondContact CE-O 3.45Å; K645-N671 PolarHBondContact NZ-O 2.97Å; N667-N671 PolarHBondContact O-N 2.81Å; N667-N671 VanDerWaalsContact O-N 3.15Å; N667-N671 PolarHBondContact O-ND2 3.47Å; A668-N671 CarbonylContact O-C 3.54Å; A668-N671 PolarHBondContact O-N 2.82Å; E669-N671 PolarHBondContact O-N 2.84Å; N671-V673 HydrophobicContact CB-CG1 4.46Å; N671-V673 HydrophobicContact CB-CG2 4.04Å |
| 672 | G | 94.8 | Very high | 93.4 | Very high | 58 Ų | 58 | 54 Ų | 54 | 60% | 0.598 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 38.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A668 E669 | A668-G672 PolarHBondContact O-N 2.86Å; E669-G672 PolarHBondContact O-N 3.17Å |
| 673 | V | 96.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | trans | -126.5 | 10.2 | 180 | -56.6 | 0 | 0 | 0 | 0 | 113.7 | I641 L644 K645 A668 N671 D675 R676 L677 | I641-V673 HydrophobicContact CG1-CG2 4.29Å; I641-V673 HydrophobicContact CG2-CG2 4.16Å; L644-V673 HydrophobicContact CB-CB 4.24Å; L644-V673 HydrophobicContact CB-CG1 4.3Å; L644-V673 HydrophobicContact CB-CG2 4.42Å; L644-V673 HydrophobicContact CD1-CB 3.93Å; L644-V673 HydrophobicContact CD1-CG2 3.85Å; K645-V673 HydrophobicContact CD-CG1 4.37Å; K645-V673 HydrophobicContact CG-CG1 4.5Å; A668-V673 HydrophobicContact CB-CG2 4.1Å; A668-V673 PolarHBondContact O-N 2.96Å; N671-V673 HydrophobicContact CB-CG1 4.46Å; N671-V673 HydrophobicContact CB-CG2 4.04Å; V673-D675 PolarHBondContact O-N 2.84Å; V673-R676 PolarHBondContact O-N 2.84Å; V673-L677 PolarHBondContact O-N 2.88Å | ||
| 674 | S | 95.5 | Very high | 93.5 | Very high | 54 Ų | 54 | 61.3 Ų | 61.3 | 38% | 0.378 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -58.8 | -28.3 | -178.8 | -53.4 | 0 | 0 | 0 | 0 | 114.1 | A668 E669 R676 | A668-S674 VanDerWaalsContact C-OG 3.28Å; E669-S674 WeakPolarHBondContact CA-OG 3.35Å; E669-S674 PolarHBondContact N-OG 2.81Å; S674-R676 PolarHBondContact O-N 3.07Å |
| 675 | D | 95.6 | Very high | 93.2 | Very high | 135 Ų | 135 | 63.7 Ų | 63.7 | 72% | 0.722 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -69.9 | -17.1 | 177.8 | 63.4 | -42.7 | 0 | 0 | 0 | 113.1 | V673 | V673-D675 PolarHBondContact O-N 2.84Š|
| 676 | R | 97.4 | Very high | 92.8 | Very high | 82 Ų | 82 | 60.6 Ų | 60.6 | 31% | 0.309 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -115 | 0.7 | -178.5 | -63.7 | -175.5 | -71.6 | 149.3 | -1.6 | 113.8 | L644 A648 A649 K650 A651 V673 S674 | L644-R676 HydrophobicContact CD1-CB 4.24Å; L644-R676 HydrophobicContact CD2-CB 3.63Å; L644-R676 PolarHBondContact O-NH1 3.24Å; A648-R676 PolarHBondContact O-NH1 3.09Å; A649-R676 WeakPolarHBondContact O-CD 3.37Å; K650-R676 WeakPolarHBondContact CA-O 3.11Å; A651-R676 PolarHBondContact N-O 2.74Å; V673-R676 PolarHBondContact O-N 2.84Å; S674-R676 PolarHBondContact O-N 3.07Å |
| 677 | L | 97.6 | Very high | 92.2 | Very high | 16 Ų | 16 | 67 Ų | 67 | 8% | 0.084 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 116.9 | 178.3 | -176.7 | 63 | 0 | 0 | 0 | 111 | A640 I641 L644 A651 A668 V673 L679 | A640-L677 HydrophobicContact CB-CD1 3.66Å; I641-L677 HydrophobicContact CG1-CD2 4.43Å; L644-L677 HydrophobicContact CD1-CB 3.88Å; L644-L677 HydrophobicContact CD1-CD1 4.45Å; A651-L677 HydrophobicContact CB-CD1 3.85Å; A651-L677 WeakPolarHBondContact O-CA 3.37Å; A668-L677 HydrophobicContact CB-CB 4.4Å; A668-L677 HydrophobicContact CB-CD2 3.56Å; V673-L677 PolarHBondContact O-N 2.88Å; L677-L679 HydrophobicContact CD1-CD2 4.31Å; L677-L679 HydrophobicContact CD2-CD1 4.22Å; L677-L679 HydrophobicContact CD2-CD2 4.07Å; L677-L679 HydrophobicContact CD2-CG 4.2Å; L677-L679 HydrophobicContact CG-CD2 4.1Å; L677-L679 HydrophobicContact CG-CG 4.07Å |
| 678 | E | 97.2 | Very high | 91.7 | Very high | 67 Ų | 67 | 75.6 Ų | 75.6 | 31% | 0.313 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 143.2 | 169 | -68.5 | 173.2 | -171.2 | 0 | 0 | 110 | K650 A651 I652 G653 Y680 | K650-E678 WeakPolarHBondContact CE-OE1 3.41Å; K650-E678 WeakPolarHBondContact CE-OE2 3.36Å; K650-E678 IonicContact NZ-OE1 3.54Å; K650-E678 PolarHBondContact NZ-OE1 3.12Å; K650-E678 IonicContact NZ-OE2 3.46Å; K650-E678 PolarHBondContact NZ-OE2 3.06Å; A651-E678 PolarHBondContact O-N 2.82Å; I652-E678 CarbonylContact C-O 3.53Å; I652-E678 WeakPolarHBondContact CA-O 3.2Å; I652-E678 HydrophobicContact CG1-CB 4.38Å; I652-E678 HydrophobicContact CG2-CB 4.49Å; G653-E678 PolarHBondContact N-O 2.96Å; E678-Y680 HydrophobicContact CB-CE2 3.66Å; E678-Y680 PolarHBondContact OE2-OH 2.98Å |
| 679 | L | 97 | Very high | 91.3 | Very high | 21 Ų | 21 | 76.3 Ų | 76.3 | 11% | 0.11 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 129.7 | -175.2 | -67.3 | 169.2 | 0 | 0 | 0 | 110.2 | G653 I661 R665 L677 | G653-L679 WeakPolarHBondContact O-CA 3.37Å; I661-L679 HydrophobicContact CD1-CB 4.3Å; I661-L679 HydrophobicContact CG2-CB 4.06Å; I661-L679 WeakPolarHBondContact O-CD1 3.39Å; R665-L679 HydrophobicContact CB-CD1 3.86Å; L677-L679 HydrophobicContact CD1-CD2 4.31Å; L677-L679 HydrophobicContact CD2-CD1 4.22Å; L677-L679 HydrophobicContact CD2-CD2 4.07Å; L677-L679 HydrophobicContact CD2-CG 4.2Å; L677-L679 HydrophobicContact CG-CD2 4.1Å; L677-L679 HydrophobicContact CG-CG 4.07Å |
| 680 | Y | 96 | Very high | 91.3 | Very high | 55 Ų | 55 | 75 Ų | 75 | 22% | 0.216 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 143.6 | -175.4 | -59.1 | -74.7 | 0 | 0 | 0 | 112.2 | I652 G653 I654 D655 I661 E678 D684 P686 M689 | I652-Y680 HydrophobicContact CG2-CD2 3.7Å; I652-Y680 HydrophobicContact CG2-CE2 3.81Å; G653-Y680 PolarHBondContact O-N 3Å; I654-Y680 WeakPolarHBondContact CA-O 3.5Å; D655-Y680 PolarHBondContact N-O 3.26Å; I661-Y680 WeakPolarHBondContact CD1-O 3.32Å; E678-Y680 HydrophobicContact CB-CE2 3.66Å; E678-Y680 PolarHBondContact OE2-OH 2.98Å; Y680-D684 WeakPolarHBondContact CD1-O 3.45Å; Y680-P686 HydrophobicContact CE2-CG 4.43Å; Y680-M689 HydrophobicContact CD2-CE 4.15Å; Y680-M689 HydrophobicContact CE2-CE 4.42Å |
| 681 | L | 92.9 | Very high | 91.5 | Very high | 36 Ų | 36 | 70.3 Ų | 70.3 | 19% | 0.188 | 36% | 0.36 | C | S | . | . | trans | -75.7 | 153 | 155.2 | -64.4 | 173.5 | 0 | 0 | 0 | 108.3 | D655 P658 I661 K683 D684 Q685 | D655-L681 VanDerWaalsContact O-CD2 3.28Å; D655-L681 WeakPolarHBondContact O-CD2 2.93Å; P658-L681 HydrophobicContact CG-CD2 4.27Å; I661-L681 HydrophobicContact CG1-CD2 3.99Å; L681-K683 HydrophobicContact CB-CG 4.22Å; L681-K683 PolarHBondContact O-N 2.79Å; L681-D684 PolarHBondContact O-N 3.25Å; L681-Q685 PolarHBondContact O-N 3.1Å | ||
| 682 | P | 87.5 | Confident | 91.7 | Very high | 56 Ų | 56 | 72.6 Ų | 72.6 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -53.2 | -34.2 | -177.6 | -25 | 25 | 0 | 0 | 0 | 114.4 | I654 D655 I656 D684 Q685 | I654-P682 HydrophobicContact CG2-CG 4.34Å; D655-P682 WeakPolarHBondContact O-CD 3.47Å; I656-P682 HydrophobicContact CG2-CG 3.85Å; P682-D684 VanDerWaalsContact C-N 3.27Å; P682-D684 PolarHBondContact O-N 3.11Å; P682-Q685 VanDerWaalsContact O-CG 3.3Å; P682-Q685 WeakPolarHBondContact O-CG 3.42Å |
| 683 | K | 86.5 | Confident | 91.8 | Very high | 169 Ų | 169 | 69.8 Ų | 69.8 | 74% | 0.735 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -70.6 | -20.5 | 178.7 | 68.2 | -179.9 | -175.8 | -178.4 | 0 | 114.1 | L681 | L681-K683 HydrophobicContact CB-CG 4.22Å; L681-K683 PolarHBondContact O-N 2.79Å |
| 684 | D | 89.7 | Confident | 91.9 | Very high | 94 Ų | 94 | 69.8 Ų | 69.8 | 50% | 0.503 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -108.2 | 2.3 | -173.5 | -58.3 | -50.6 | 0 | 0 | 0 | 111.7 | Y680 L681 P682 | Y680-D684 WeakPolarHBondContact CD1-O 3.45Å; L681-D684 PolarHBondContact O-N 3.25Å; P682-D684 VanDerWaalsContact C-N 3.27Å; P682-D684 PolarHBondContact O-N 3.11Å |
| 685 | Q | 86.6 | Confident | 92 | Very high | 50 Ų | 50 | 67.2 Ų | 67.2 | 23% | 0.234 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -72.4 | 141.3 | -178.6 | 80.8 | -172.7 | 12.6 | 0 | 0 | 111.2 | L681 P682 M689 | L681-Q685 PolarHBondContact O-N 3.1Å; P682-Q685 VanDerWaalsContact O-CG 3.3Å; P682-Q685 WeakPolarHBondContact O-CG 3.42Å; Q685-M689 HydrophobicContact CB-CE 4.05Å |
| 686 | P | 85.3 | Confident | 92 | Very high | 58 Ų | 58 | 60.8 Ų | 60.8 | 38% | 0.377 | 29% | 0.291 | S | S | . | . | trans | -56 | 140.8 | 172.3 | -25.6 | 31.6 | 0 | 0 | 0 | 113.7 | Y680 E688 M689 | Y680-P686 HydrophobicContact CE2-CG 4.43Å; P686-E688 PolarHBondContact O-N 3.16Å; P686-M689 HydrophobicContact CG-CE 4.28Å | ||
| 687 | E | 77.8 | Confident | 91.9 | Very high | 203 Ų | 203 | 58.4 Ų | 58.4 | 95% | 0.949 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -36.2 | -179.6 | -70.9 | -175.6 | 166.5 | 0 | 0 | 113.5 | ||
| 688 | E | 80.5 | Confident | 91.6 | Very high | 183 Ų | 183 | 59.1 Ų | 59.1 | 86% | 0.855 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | 41.4 | -176.3 | -64 | -170.6 | 168.3 | 0 | 0 | 113.1 | P686 K690 | P686-E688 PolarHBondContact O-N 3.16Å; E688-K690 PolarHBondContact O-N 3.13Å |
| 689 | M | 86.8 | Confident | 91.1 | Very high | 17 Ų | 17 | 58.5 Ų | 58.5 | 8% | 0.084 | 29% | 0.287 | C | S | . | . | trans | -70.9 | 126.1 | 179.4 | -165.1 | -171.7 | -64.9 | 0 | 0 | 111.6 | I630 I652 I654 Y680 Q685 P686 L713 | I630-M689 HydrophobicContact CD1-CG 3.7Å; I630-M689 HydrophobicContact CD1-SD 3.56Å; I630-M689 VanDerWaalsContact CD1-SD 3.56Å; I630-M689 HydrophobicContact CG1-CG 4.4Å; I630-M689 HydrophobicContact CG1-SD 3.84Å; I652-M689 HydrophobicContact CB-SD 4.35Å; I652-M689 HydrophobicContact CD1-CE 4.48Å; I652-M689 HydrophobicContact CD1-CG 3.92Å; I652-M689 HydrophobicContact CD1-SD 3.94Å; I652-M689 HydrophobicContact CG2-CE 3.7Å; I652-M689 HydrophobicContact CG2-SD 3.78Å; I654-M689 HydrophobicContact CD1-CE 4.01Å; I654-M689 HydrophobicContact CD1-SD 3.9Å; I654-M689 HydrophobicContact CG1-CE 4.46Å; Y680-M689 HydrophobicContact CD2-CE 4.15Å; Y680-M689 HydrophobicContact CE2-CE 4.42Å; Q685-M689 HydrophobicContact CB-CE 4.05Å; P686-M689 HydrophobicContact CG-CE 4.28Å; M689-L713 HydrophobicContact CB-CD2 4.47Å | ||
| 690 | K | 92.3 | Very high | 90.7 | Very high | 112 Ų | 112 | 57.6 Ų | 57.6 | 49% | 0.487 | 28% | 0.282 | S | S | . | . | trans | -137.8 | 150 | 174.9 | -62.2 | -71.3 | -174 | 166.7 | 0 | 111.4 | E688 V712 L713 V715 | E688-K690 PolarHBondContact O-N 3.13Å; K690-V712 VanDerWaalsContact CD-O 3.29Å; K690-V712 WeakPolarHBondContact CD-O 3.22Å; K690-V712 WeakPolarHBondContact CE-O 3.42Å; K690-V712 PolarHBondContact NZ-O 2.73Å; K690-L713 CarbonylContact C-O 3.59Å; K690-L713 WeakPolarHBondContact CA-O 3.28Å; K690-V715 HydrophobicContact CB-CG1 3.79Å | ||
| 691 | A | 95.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 157.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | T628 I630 V693 V694 L713 P714 V715 | T628-A691 HydrophobicContact CG2-CB 4.15Å; T628-A691 WeakPolarHBondContact O-CB 3.37Å; I630-A691 HydrophobicContact CB-CB 4.22Å; I630-A691 HydrophobicContact CD1-CB 3.44Å; I630-A691 VanDerWaalsContact CD1-CB 3.44Å; I630-A691 HydrophobicContact CG1-CB 3.57Å; A691-V693 VanDerWaalsContact C-N 3.33Å; A691-V694 HydrophobicContact CB-CG2 4.27Å; A691-L713 PolarHBondContact N-O 3.35Å; A691-P714 CarbonylContact O-C 3.57Å; A691-P714 WeakPolarHBondContact O-CA 3.41Å; A691-V715 PolarHBondContact O-N 3.3Å |
| 692 | D | 96.5 | Very high | 90.1 | Very high | 56 Ų | 56 | 56.9 Ų | 56.9 | 30% | 0.299 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | -31.6 | 174.6 | -55.5 | -75.5 | 0 | 0 | 0 | 111.5 | K627 T628 G718 L719 | K627-D692 WeakPolarHBondContact CA-OD2 3.5Å; K627-D692 HydrophobicContact CB-CB 3.91Å; K627-D692 HydrophobicContact CD-CB 3.99Å; K627-D692 HydrophobicContact CG-CB 4.02Å; T628-D692 PolarHBondContact N-OD2 2.78Å; T628-D692 PolarHBondContact O-N 2.97Å; D692-G718 CarbonylContact O-C 3.55Å; D692-G718 WeakPolarHBondContact O-CA 3.28Å; D692-L719 PolarHBondContact O-N 2.92Å |
| 693 | V | 97.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 131.1 | 177.1 | -175.5 | 0 | 0 | 0 | 0 | 109.1 | W618 L619 L622 L624 K627 T628 V629 I630 A691 V695 L719 | W618-V693 HydrophobicContact CH2-CG1 3.92Å; W618-V693 HydrophobicContact CZ3-CG1 3.93Å; L619-V693 HydrophobicContact CD2-CG1 4.39Å; L622-V693 HydrophobicContact CD1-CG1 4.22Å; L622-V693 HydrophobicContact CD1-CG2 4.32Å; L624-V693 HydrophobicContact CD2-CG2 3.93Å; K627-V693 HydrophobicContact CD-CG2 4.32Å; T628-V693 PolarHBondContact O-N 3.13Å; V629-V693 CarbonylContact C-O 3.57Å; V629-V693 VanDerWaalsContact CA-O 3.28Å; V629-V693 WeakPolarHBondContact CA-O 3.21Å; V629-V693 HydrophobicContact CG1-CB 4.29Å; V629-V693 HydrophobicContact CG1-CG1 4.42Å; V629-V693 HydrophobicContact CG2-CB 4.15Å; I630-V693 PolarHBondContact N-O 3.19Å; A691-V693 VanDerWaalsContact C-N 3.33Å; V693-V695 HydrophobicContact CG1-CG2 4.19Å; V693-L719 CarbonylContact C-O 3.54Å; V693-L719 WeakPolarHBondContact CA-O 3.48Å; V693-L719 HydrophobicContact CG2-CB 4.49Å |
| 694 | V | 97.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 125.5 | 173.8 | -178.7 | 0 | 0 | 0 | 0 | 108 | I630 A691 I710 L713 P714 L719 L720 G721 | I630-V694 HydrophobicContact CB-CG1 4.41Å; I630-V694 HydrophobicContact CB-CG2 4.3Å; I630-V694 HydrophobicContact CD1-CG2 4.36Å; I630-V694 HydrophobicContact CG2-CG1 4.38Å; A691-V694 HydrophobicContact CB-CG2 4.27Å; V694-I710 HydrophobicContact CG1-CG2 4.43Å; V694-L713 HydrophobicContact CG1-CB 4.32Å; V694-L713 HydrophobicContact CG1-CD1 4.22Å; V694-L713 HydrophobicContact CG2-CB 3.74Å; V694-P714 HydrophobicContact CB-CG 4.14Å; V694-P714 HydrophobicContact CG2-CB 4.33Å; V694-P714 HydrophobicContact CG2-CG 3.68Å; V694-L719 PolarHBondContact N-O 3.15Å; V694-L720 HydrophobicContact CB-CD1 3.93Å; V694-L720 HydrophobicContact CG1-CD1 3.88Å; V694-L720 CarbonylContact O-C 3.28Å; V694-L720 WeakPolarHBondContact O-CA 3.47Å; V694-G721 PolarHBondContact O-N 2.92Å |
| 695 | V | 97.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 130.6 | 173.6 | -162.8 | 0 | 0 | 0 | 0 | 108.3 | C615 W618 L619 V629 I630 F632 L639 V693 G721 | C615-V695 HydrophobicContact CB-CG1 4.21Å; W618-V695 HydrophobicContact CE3-CG2 4.46Å; W618-V695 HydrophobicContact CZ3-CG2 4Å; L619-V695 HydrophobicContact CD1-CG2 4.49Å; L619-V695 HydrophobicContact CD2-CG2 3.94Å; L619-V695 HydrophobicContact CG-CG2 4.46Å; V629-V695 HydrophobicContact CG1-CG2 4.4Å; I630-V695 PolarHBondContact O-N 3.42Å; F632-V695 PolarHBondContact N-O 3.49Å; L639-V695 HydrophobicContact CD1-CG1 3.85Å; V693-V695 HydrophobicContact CG1-CG2 4.19Å; V695-G721 CarbonylContact C-O 3.58Å; V695-G721 VanDerWaalsContact CA-O 3.28Å; V695-G721 WeakPolarHBondContact CA-O 3.22Å |
| 696 | A | 96.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 104.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | F632 L703 I710 G721 L722 S723 | F632-A696 HydrophobicContact CB-CB 3.93Å; F632-A696 WeakPolarHBondContact O-CA 3.48Å; A696-L703 HydrophobicContact CB-CD2 3.83Å; A696-I710 HydrophobicContact CB-CD1 4.33Å; A696-G721 PolarHBondContact N-O 3.18Å; A696-L722 HydrophobicContact CB-CD2 3.88Å; A696-L722 WeakPolarHBondContact O-CA 2.98Å; A696-S723 PolarHBondContact O-N 3.41Å |
| 697 | N | 94.5 | Very high | 91.5 | Very high | 31 Ų | 31 | 52.4 Ų | 52.4 | 17% | 0.166 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 70.8 | 178.2 | -178.9 | 35.1 | 0 | 0 | 0 | 109.7 | T611 T612 L639 G724 | T611-N697 VanDerWaalsContact CB-OD1 3.27Å; T611-N697 WeakPolarHBondContact CB-OD1 3.33Å; T611-N697 PolarHBondContact OG1-OD1 3.27Å; T612-N697 PolarHBondContact OG1-ND2 3.12Å; L639-N697 HydrophobicContact CD1-CB 3.86Å; N697-G724 PolarHBondContact OD1-N 2.88Å |
| 698 | I | 91.7 | Very high | 92 | Very high | 32 Ų | 32 | 47.5 Ų | 47.5 | 16% | 0.164 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -132.9 | 167.4 | -177.6 | 67.2 | -179.1 | 0 | 0 | 0 | 109.8 | F632 P702 L703 L706 S723 G724 | F632-I698 HydrophobicContact CD1-CD1 4.09Å; F632-I698 HydrophobicContact CE1-CD1 4.27Å; I698-P702 HydrophobicContact CD1-CB 4.01Å; I698-P702 HydrophobicContact CG1-CB 4.43Å; I698-L703 HydrophobicContact CD1-CD2 3.98Å; I698-L703 HydrophobicContact CD1-CG 4.35Å; I698-L703 HydrophobicContact CG1-CD2 3.58Å; I698-L703 HydrophobicContact CG1-CG 3.67Å; I698-L703 WeakPolarHBondContact O-CD1 3.4Å; I698-L706 HydrophobicContact CD1-CD1 4.37Å; I698-S723 PolarHBondContact N-O 3.35Å; I698-G724 WeakPolarHBondContact O-CA 3.42Å |
| 699 | L | 87.8 | Confident | 92.5 | Very high | 53 Ų | 53 | 42 Ų | 42 | 28% | 0.277 | 22% | 0.22 | S | C | . | . | trans | -56.6 | 148.7 | -176.7 | -63.5 | 176.8 | 0 | 0 | 0 | 114 | E509 G701 P702 L703 G724 | E509-L699 HydrophobicContact CB-CD1 3.71Å; E509-L699 HydrophobicContact CB-CD2 4.42Å; E509-L699 VanDerWaalsContact OE2-CD1 3.26Å; E509-L699 WeakPolarHBondContact OE2-CD1 3.45Å; E509-L699 WeakPolarHBondContact OE2-CD2 3.34Å; E509-L699 VanDerWaalsContact OE2-CG 3.28Å; E509-L699 WeakPolarHBondContact OE2-CG 3.38Å; L699-G701 VanDerWaalsContact C-N 3.26Å; L699-G701 PolarHBondContact O-N 3.36Å; L699-P702 HydrophobicContact CB-CG 4.11Å; L699-P702 VanDerWaalsContact O-CD 3.28Å; L699-P702 WeakPolarHBondContact O-CD 3.48Å; L699-L703 WeakPolarHBondContact O-CG 3.38Å; L699-L703 PolarHBondContact O-N 2.94Å; L699-G724 WeakPolarHBondContact CA-O 3.36Å | ||
| 700 | A | 87.7 | Confident | 92.8 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 2% | 0.017 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.4 | -30.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | R704 G724 I725 Q729 V733 | A700-R704 WeakPolarHBondContact O-CG 3.41Å; A700-R704 PolarHBondContact O-N 2.95Å; A700-R704 PolarHBondContact O-NE 3.2Å; A700-G724 PolarHBondContact N-O 3.5Å; A700-I725 HydrophobicContact CB-CG1 4.43Å; A700-I725 HydrophobicContact CB-CG2 4.17Å; A700-Q729 HydrophobicContact CB-CB 4.04Å; A700-Q729 VanDerWaalsContact CB-OE1 3.31Å; A700-V733 HydrophobicContact CB-CG2 3.79Å |
| 701 | G | 86.7 | Confident | 92.7 | Very high | 30 Ų | 30 | 36.8 Ų | 36.8 | 31% | 0.309 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63 | -64.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L699 L703 R704 E705 | L699-G701 VanDerWaalsContact C-N 3.26Å; L699-G701 PolarHBondContact O-N 3.36Å; G701-L703 VanDerWaalsContact C-N 3.27Å; G701-L703 PolarHBondContact O-N 3.2Å; G701-R704 PolarHBondContact O-N 3.19Å; G701-E705 PolarHBondContact O-N 2.77Å; G701-E705 VanDerWaalsContact O-N 3.12Å |
| 702 | P | 89.5 | Confident | 92.5 | Very high | 47 Ų | 47 | 40.6 Ų | 40.6 | 31% | 0.305 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -49.9 | -41.2 | 172.4 | -30.8 | 35.2 | 0 | 0 | 0 | 114.3 | I698 L699 R704 E705 L706 | I698-P702 HydrophobicContact CD1-CB 4.01Å; I698-P702 HydrophobicContact CG1-CB 4.43Å; L699-P702 HydrophobicContact CB-CG 4.11Å; L699-P702 VanDerWaalsContact O-CD 3.28Å; L699-P702 WeakPolarHBondContact O-CD 3.48Å; P702-R704 VanDerWaalsContact C-N 3.27Å; P702-R704 PolarHBondContact O-N 3.29Å; P702-E705 PolarHBondContact O-N 3.14Å; P702-L706 VanDerWaalsContact O-CB 3.25Å; P702-L706 WeakPolarHBondContact O-CB 3.49Å; P702-L706 WeakPolarHBondContact O-CG 2.94Å; P702-L706 PolarHBondContact O-N 3.39Å |
| 703 | L | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.2 | -38 | 176.9 | -78.9 | 178.5 | 0 | 0 | 0 | 113.2 | A696 I698 L699 G701 A707 I710 L722 I725 V733 Y737 | A696-L703 HydrophobicContact CB-CD2 3.83Å; I698-L703 HydrophobicContact CD1-CD2 3.98Å; I698-L703 HydrophobicContact CD1-CG 4.35Å; I698-L703 HydrophobicContact CG1-CD2 3.58Å; I698-L703 HydrophobicContact CG1-CG 3.67Å; I698-L703 WeakPolarHBondContact O-CD1 3.4Å; L699-L703 WeakPolarHBondContact O-CG 3.38Å; L699-L703 PolarHBondContact O-N 2.94Å; G701-L703 VanDerWaalsContact C-N 3.27Å; G701-L703 PolarHBondContact O-N 3.2Å; L703-A707 PolarHBondContact O-N 3.27Å; L703-I710 HydrophobicContact CD2-CD1 4.02Å; L703-L722 HydrophobicContact CD1-CB 4.18Å; L703-L722 HydrophobicContact CD2-CD2 3.91Å; L703-I725 HydrophobicContact CD1-CD1 3.67Å; L703-I725 HydrophobicContact CD1-CG1 3.58Å; L703-V733 HydrophobicContact CB-CG1 4.31Å; L703-V733 HydrophobicContact CD1-CG1 4.32Å; L703-Y737 VanDerWaalsContact O-CE2 3.27Å; L703-Y737 WeakPolarHBondContact O-CE2 3.47Å; L703-Y737 PolarHBondContact O-OH 2.74Å |
| 704 | R | 93.2 | Very high | 92.1 | Very high | 116 Ų | 116 | 39 Ų | 39 | 44% | 0.438 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -74.8 | -43.9 | 178.2 | -71.1 | -179.5 | -64.3 | 167.4 | 2 | 111.7 | A700 G701 P702 L706 A707 V733 A736 | A700-R704 WeakPolarHBondContact O-CG 3.41Å; A700-R704 PolarHBondContact O-N 2.95Å; A700-R704 PolarHBondContact O-NE 3.2Å; G701-R704 PolarHBondContact O-N 3.19Å; P702-R704 VanDerWaalsContact C-N 3.27Å; P702-R704 PolarHBondContact O-N 3.29Å; R704-L706 VanDerWaalsContact C-N 3.34Å; R704-A707 WeakPolarHBondContact O-CB 3.37Å; R704-A707 PolarHBondContact O-N 2.94Å; R704-V733 HydrophobicContact CG-CG2 4.19Å; R704-A736 HydrophobicContact CB-CB 4.33Å; R704-A736 HydrophobicContact CG-CB 4Å |
| 705 | E | 90.9 | Very high | 91.7 | Very high | 158 Ų | 158 | 41.3 Ų | 41.3 | 74% | 0.738 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -63.4 | -41.9 | 178.9 | -174.9 | 179.4 | 172.6 | 0 | 0 | 111.7 | G701 P702 A707 P708 | G701-E705 PolarHBondContact O-N 2.77Å; G701-E705 VanDerWaalsContact O-N 3.12Å; P702-E705 PolarHBondContact O-N 3.14Å; E705-A707 VanDerWaalsContact C-N 3.32Å; E705-P708 WeakPolarHBondContact O-CD 3.41Å |
| 706 | L | 92.4 | Very high | 90.9 | Very high | 52 Ų | 52 | 46.6 Ų | 46.6 | 27% | 0.272 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 4.6 | -178.9 | -59.9 | 174.8 | 0 | 0 | 0 | 113.1 | F632 I698 P702 R704 P708 L709 I710 | F632-L706 HydrophobicContact CE1-CD1 3.85Å; F632-L706 HydrophobicContact CZ-CD1 4.21Å; I698-L706 HydrophobicContact CD1-CD1 4.37Å; P702-L706 VanDerWaalsContact O-CB 3.25Å; P702-L706 WeakPolarHBondContact O-CB 3.49Å; P702-L706 WeakPolarHBondContact O-CG 2.94Å; P702-L706 PolarHBondContact O-N 3.39Å; R704-L706 VanDerWaalsContact C-N 3.34Å; L706-P708 VanDerWaalsContact C-CD 3.43Å; L706-P708 VanDerWaalsContact C-N 3.31Å; L706-L709 HydrophobicContact CD2-CD2 4.32Å; L706-L709 WeakPolarHBondContact O-CA 3.5Å; L706-L709 WeakPolarHBondContact O-CB 3.47Å; L706-L709 PolarHBondContact O-N 2.85Å; L706-I710 HydrophobicContact CB-CD1 3.91Å; L706-I710 HydrophobicContact CB-CG1 4.26Å; L706-I710 PolarHBondContact O-N 3.33Å |
| 707 | A | 93.6 | Very high | 90 | Very high | 6 Ų | 6 | 49.6 Ų | 49.6 | 5% | 0.05 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -52.2 | -42.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | L703 R704 E705 L709 I710 S711 A736 Y737 | L703-A707 PolarHBondContact O-N 3.27Å; R704-A707 WeakPolarHBondContact O-CB 3.37Å; R704-A707 PolarHBondContact O-N 2.94Å; E705-A707 VanDerWaalsContact C-N 3.32Å; A707-L709 VanDerWaalsContact C-N 3.28Å; A707-L709 PolarHBondContact O-N 3.49Å; A707-I710 PolarHBondContact O-N 3.02Å; A707-S711 WeakPolarHBondContact O-CB 3.35Å; A707-S711 PolarHBondContact O-N 2.96Å; A707-S711 PolarHBondContact O-OG 3.01Å; A707-A736 HydrophobicContact CB-CB 4.12Å; A707-Y737 WeakPolarHBondContact CA-OH 3.32Å; A707-Y737 HydrophobicContact CB-CD2 4.23Å; A707-Y737 HydrophobicContact CB-CE1 4.17Å; A707-Y737 HydrophobicContact CB-CE2 3.72Å |
| 708 | P | 89.3 | Confident | 89.9 | Confident | 100 Ų | 100 | 48.2 Ų | 48.2 | 65% | 0.649 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -61.9 | -34.3 | 175.9 | -23.3 | 35 | 0 | 0 | 0 | 113.7 | E705 L706 | E705-P708 WeakPolarHBondContact O-CD 3.41Å; L706-P708 VanDerWaalsContact C-CD 3.43Å; L706-P708 VanDerWaalsContact C-N 3.31Å |
| 709 | L | 89.6 | Confident | 90 | Very high | 67 Ų | 67 | 48.8 Ų | 48.8 | 35% | 0.351 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -77.3 | -47 | 179.2 | -180 | 69.6 | 0 | 0 | 0 | 111.3 | F632 L706 A707 S711 V712 | F632-L709 HydrophobicContact CE2-CD2 4.2Å; F632-L709 HydrophobicContact CZ-CD2 4Å; L706-L709 HydrophobicContact CD2-CD2 4.32Å; L706-L709 WeakPolarHBondContact O-CA 3.5Å; L706-L709 WeakPolarHBondContact O-CB 3.47Å; L706-L709 PolarHBondContact O-N 2.85Å; A707-L709 VanDerWaalsContact C-N 3.28Å; A707-L709 PolarHBondContact O-N 3.49Å; L709-S711 VanDerWaalsContact C-N 3.34Å; L709-S711 PolarHBondContact O-N 3Å; L709-V712 WeakPolarHBondContact O-CG2 3.28Å |
| 710 | I | 93.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.6 | -36.6 | -177.8 | -66.2 | 169.6 | 0 | 0 | 0 | 110.5 | F632 V694 A696 L703 L706 A707 V712 L713 P714 L720 L722 Y737 | F632-I710 HydrophobicContact CD1-CD1 4.37Å; F632-I710 HydrophobicContact CD2-CG1 4.42Å; F632-I710 HydrophobicContact CE1-CD1 4.44Å; F632-I710 HydrophobicContact CE2-CG1 4.39Å; F632-I710 HydrophobicContact CZ-CG1 4.47Å; V694-I710 HydrophobicContact CG1-CG2 4.43Å; A696-I710 HydrophobicContact CB-CD1 4.33Å; L703-I710 HydrophobicContact CD2-CD1 4.02Å; L706-I710 HydrophobicContact CB-CD1 3.91Å; L706-I710 HydrophobicContact CB-CG1 4.26Å; L706-I710 PolarHBondContact O-N 3.33Å; A707-I710 PolarHBondContact O-N 3.02Å; I710-V712 PolarHBondContact O-N 3.42Å; I710-V712 VanDerWaalsContact O-N 3.15Å; I710-L713 PolarHBondContact O-N 2.9Å; I710-L713 VanDerWaalsContact O-N 3.07Å; I710-P714 WeakPolarHBondContact O-CD 3.26Å; I710-L720 HydrophobicContact CG2-CD1 3.72Å; I710-L722 HydrophobicContact CG2-CD2 4.43Å; I710-Y737 HydrophobicContact CB-CE1 4.16Å; I710-Y737 WeakPolarHBondContact CD1-OH 3.01Å; I710-Y737 HydrophobicContact CG2-CE1 3.93Å |
| 711 | S | 91.1 | Very high | 90.9 | Very high | 21 Ų | 21 | 46.3 Ų | 46.3 | 15% | 0.147 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -22.2 | -176.6 | -63.7 | 0 | 0 | 0 | 0 | 114 | A707 L709 | A707-S711 WeakPolarHBondContact O-CB 3.35Å; A707-S711 PolarHBondContact O-N 2.96Å; A707-S711 PolarHBondContact O-OG 3.01Å; L709-S711 VanDerWaalsContact C-N 3.34Å; L709-S711 PolarHBondContact O-N 3Å |
| 712 | V | 89.8 | Confident | 91.4 | Very high | 81 Ų | 81 | 44.9 Ų | 44.9 | 49% | 0.491 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -4.2 | 178.1 | -60.2 | 0 | 0 | 0 | 0 | 113.3 | K690 L709 I710 | K690-V712 VanDerWaalsContact CD-O 3.29Å; K690-V712 WeakPolarHBondContact CD-O 3.22Å; K690-V712 WeakPolarHBondContact CE-O 3.42Å; K690-V712 PolarHBondContact NZ-O 2.73Å; L709-V712 WeakPolarHBondContact O-CG2 3.28Å; I710-V712 PolarHBondContact O-N 3.42Å; I710-V712 VanDerWaalsContact O-N 3.15Å |
| 713 | L | 93.5 | Very high | 91.7 | Very high | 11 Ų | 11 | 42.7 Ų | 42.7 | 6% | 0.058 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -75.7 | -38.6 | -178.1 | -62.7 | 175.2 | 0 | 0 | 0 | 114 | I630 F632 M689 K690 A691 V694 I710 | I630-L713 HydrophobicContact CD1-CB 4.21Å; I630-L713 HydrophobicContact CD1-CD2 4.42Å; I630-L713 HydrophobicContact CG2-CD1 4.44Å; F632-L713 HydrophobicContact CD2-CD1 3.84Å; F632-L713 HydrophobicContact CE2-CD1 4.2Å; M689-L713 HydrophobicContact CB-CD2 4.47Å; K690-L713 CarbonylContact C-O 3.59Å; K690-L713 WeakPolarHBondContact CA-O 3.28Å; A691-L713 PolarHBondContact N-O 3.35Å; V694-L713 HydrophobicContact CG1-CB 4.32Å; V694-L713 HydrophobicContact CG1-CD1 4.22Å; V694-L713 HydrophobicContact CG2-CB 3.74Å; I710-L713 PolarHBondContact O-N 2.9Å; I710-L713 VanDerWaalsContact O-N 3.07Å |
| 714 | P | 93 | Very high | 91.4 | Very high | 10 Ų | 10 | 43 Ų | 43 | 7% | 0.065 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 141.2 | 177.5 | -23.1 | 35.2 | 0 | 0 | 0 | 112.3 | A691 V694 I710 L720 F741 P759 | A691-P714 CarbonylContact O-C 3.57Å; A691-P714 WeakPolarHBondContact O-CA 3.41Å; V694-P714 HydrophobicContact CB-CG 4.14Å; V694-P714 HydrophobicContact CG2-CB 4.33Å; V694-P714 HydrophobicContact CG2-CG 3.68Å; I710-P714 WeakPolarHBondContact O-CD 3.26Å; P714-L720 HydrophobicContact CG-CB 4.49Å; P714-F741 HydrophobicContact CG-CE1 3.95Å; P714-F741 HydrophobicContact CG-CZ 3.96Å; P714-P759 HydrophobicContact CB-CG 3.72Å; P714-P759 HydrophobicContact CG-CG 4.45Å |
| 715 | V | 89.3 | Confident | 91.3 | Very high | 49 Ų | 49 | 37.4 Ų | 37.4 | 30% | 0.297 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 166.2 | 166 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | K690 A691 G717 G718 | K690-V715 HydrophobicContact CB-CG1 3.79Å; A691-V715 PolarHBondContact O-N 3.3Å; V715-G717 PolarHBondContact O-N 3.07Å; V715-G718 PolarHBondContact O-N 3.45Å |
| 716 | S | 80 | Confident | 91.1 | Very high | 113 Ų | 113 | 31.6 Ų | 31.6 | 79% | 0.79 | 21% | 0.206 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -60 | 124.4 | 170.8 | -169.7 | 0 | 0 | 0 | 0 | 110.1 | G718 | S716-G718 VanDerWaalsContact C-N 3.3Å |
| 717 | G | 79.3 | Confident | 90.7 | Very high | 62 Ų | 62 | 31 Ų | 31 | 64% | 0.639 | 21% | 0.208 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 79.3 | 5.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V715 | V715-G717 PolarHBondContact O-N 3.07Å |
| 718 | G | 90.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | -174.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | D692 V715 S716 P758 P759 | D692-G718 CarbonylContact O-C 3.55Å; D692-G718 WeakPolarHBondContact O-CA 3.28Å; V715-G718 PolarHBondContact O-N 3.45Å; S716-G718 VanDerWaalsContact C-N 3.3Å; G718-P758 WeakPolarHBondContact O-CA 3.36Å; G718-P759 WeakPolarHBondContact O-CD 3.24Å |
| 719 | L | 94.6 | Very high | 90.4 | Very high | 43 Ų | 43 | 34.4 Ų | 34.4 | 23% | 0.225 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 142.6 | -179.6 | -63.9 | 173.5 | 0 | 0 | 0 | 111.3 | W618 L622 D692 V693 V694 P758 | W618-L719 HydrophobicContact CH2-CB 3.95Å; W618-L719 HydrophobicContact CZ2-CB 3.97Å; W618-L719 HydrophobicContact CZ2-CD1 4.33Å; L622-L719 HydrophobicContact CD1-CD1 4.08Å; L622-L719 HydrophobicContact CD2-CD1 3.74Å; D692-L719 PolarHBondContact O-N 2.92Å; V693-L719 CarbonylContact C-O 3.54Å; V693-L719 WeakPolarHBondContact CA-O 3.48Å; V693-L719 HydrophobicContact CG2-CB 4.49Å; V694-L719 PolarHBondContact N-O 3.15Å; L719-P758 HydrophobicContact CD2-CB 4.1Å |
| 720 | L | 96.7 | Very high | 90.5 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 137 | 171 | -178.9 | 67.1 | 0 | 0 | 0 | 110.1 | W618 V694 I710 P714 L722 Y737 F741 T756 G757 | W618-L720 VanDerWaalsContact CH2-C 3.49Å; V694-L720 HydrophobicContact CB-CD1 3.93Å; V694-L720 HydrophobicContact CG1-CD1 3.88Å; V694-L720 CarbonylContact O-C 3.28Å; V694-L720 WeakPolarHBondContact O-CA 3.47Å; I710-L720 HydrophobicContact CG2-CD1 3.72Å; P714-L720 HydrophobicContact CG-CB 4.49Å; L720-L722 HydrophobicContact CD1-CD2 3.72Å; L720-L722 HydrophobicContact CD1-CG 4.48Å; L720-L722 HydrophobicContact CD2-CD1 4.18Å; L720-L722 HydrophobicContact CD2-CD2 4Å; L720-L722 HydrophobicContact CD2-CG 4.09Å; L720-L722 HydrophobicContact CG-CD2 3.85Å; L720-L722 HydrophobicContact CG-CG 4.07Å; L720-Y737 HydrophobicContact CD2-CD1 3.53Å; L720-Y737 HydrophobicContact CD2-CE1 3.74Å; L720-Y737 HydrophobicContact CD2-CG 4.45Å; L720-F741 HydrophobicContact CB-CD1 3.83Å; L720-F741 HydrophobicContact CB-CE1 3.51Å; L720-F741 HydrophobicContact CB-CZ 4.14Å; L720-F741 HydrophobicContact CD2-CD1 3.99Å; L720-F741 HydrophobicContact CD2-CD2 3.92Å; L720-F741 HydrophobicContact CD2-CE1 3.77Å; L720-F741 HydrophobicContact CD2-CE2 3.7Å; L720-F741 HydrophobicContact CD2-CG 4.1Å; L720-F741 HydrophobicContact CD2-CZ 3.64Å; L720-F741 HydrophobicContact CG-CE1 4.24Å; L720-F741 HydrophobicContact CG-CZ 4.42Å; L720-T756 CarbonylContact O-C 3.31Å; L720-T756 WeakPolarHBondContact O-CA 3.33Å; L720-G757 PolarHBondContact N-O 3.31Å; L720-G757 PolarHBondContact O-N 3.3Å |
| 721 | G | 97.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 121.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | W618 V694 V695 A696 I755 | W618-G721 VanDerWaalsContact CZ3-CA 3.47Å; V694-G721 PolarHBondContact O-N 2.92Å; V695-G721 CarbonylContact C-O 3.58Å; V695-G721 VanDerWaalsContact CA-O 3.28Å; V695-G721 WeakPolarHBondContact CA-O 3.22Å; A696-G721 PolarHBondContact N-O 3.18Å; G721-I755 CarbonylContact C-O 3.57Å; G721-I755 WeakPolarHBondContact CA-O 3.39Å |
| 722 | L | 97.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 135.5 | -179.7 | -51.1 | 179.3 | 0 | 0 | 0 | 109.5 | A696 L703 I710 L720 I725 V733 Y737 R754 I755 | A696-L722 HydrophobicContact CB-CD2 3.88Å; A696-L722 WeakPolarHBondContact O-CA 2.98Å; L703-L722 HydrophobicContact CD1-CB 4.18Å; L703-L722 HydrophobicContact CD2-CD2 3.91Å; I710-L722 HydrophobicContact CG2-CD2 4.43Å; L720-L722 HydrophobicContact CD1-CD2 3.72Å; L720-L722 HydrophobicContact CD1-CG 4.48Å; L720-L722 HydrophobicContact CD2-CD1 4.18Å; L720-L722 HydrophobicContact CD2-CD2 4Å; L720-L722 HydrophobicContact CD2-CG 4.09Å; L720-L722 HydrophobicContact CG-CD2 3.85Å; L720-L722 HydrophobicContact CG-CG 4.07Å; L722-I725 HydrophobicContact CB-CD1 4.08Å; L722-V733 HydrophobicContact CD1-CG1 4.04Å; L722-Y737 HydrophobicContact CD1-CD1 4.08Å; L722-Y737 HydrophobicContact CD1-CD2 3.63Å; L722-Y737 HydrophobicContact CD1-CE1 3.97Å; L722-Y737 HydrophobicContact CD1-CE2 3.54Å; L722-Y737 HydrophobicContact CD1-CG 3.91Å; L722-Y737 HydrophobicContact CD2-CE1 4.46Å; L722-R754 CarbonylContact O-C 3.53Å; L722-R754 VanDerWaalsContact O-CA 3.26Å; L722-R754 WeakPolarHBondContact O-CA 3.37Å; L722-I755 HydrophobicContact CB-CB 4.38Å; L722-I755 PolarHBondContact N-O 3.3Å; L722-I755 PolarHBondContact O-N 3.33Å |
| 723 | S | 95.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | -174.4 | 168.2 | -160.6 | 0 | 0 | 0 | 0 | 109.9 | T611 C615 A696 I698 C753 | T611-S723 WeakPolarHBondContact CA-OG 3.41Å; T611-S723 WeakPolarHBondContact CB-OG 3.45Å; C615-S723 WeakPolarHBondContact SG-CB 3.39Å; A696-S723 PolarHBondContact O-N 3.41Å; I698-S723 PolarHBondContact N-O 3.35Å; S723-C753 PolarHBondContact OG-O 3.17Å |
| 724 | G | 89.8 | Confident | 90.4 | Very high | 6 Ų | 6 | 35.2 Ų | 35.2 | 6% | 0.062 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 85 | 24.3 | -165.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N697 I698 L699 A700 | N697-G724 PolarHBondContact OD1-N 2.88Å; I698-G724 WeakPolarHBondContact O-CA 3.42Å; L699-G724 WeakPolarHBondContact CA-O 3.36Å; A700-G724 PolarHBondContact N-O 3.5Å |
| 725 | I | 91.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 127.7 | -171.3 | -50.6 | 162.9 | 0 | 0 | 0 | 108.8 | A700 L703 L722 Q729 A730 V733 W752 C753 I755 | A700-I725 HydrophobicContact CB-CG1 4.43Å; A700-I725 HydrophobicContact CB-CG2 4.17Å; L703-I725 HydrophobicContact CD1-CD1 3.67Å; L703-I725 HydrophobicContact CD1-CG1 3.58Å; L722-I725 HydrophobicContact CB-CD1 4.08Å; I725-Q729 HydrophobicContact CG2-CB 3.94Å; I725-A730 HydrophobicContact CG2-CB 4.34Å; I725-V733 HydrophobicContact CD1-CB 4.13Å; I725-V733 HydrophobicContact CD1-CG1 3.78Å; I725-V733 HydrophobicContact CD1-CG2 4.18Å; I725-V733 HydrophobicContact CG1-CG2 4.23Å; I725-V733 HydrophobicContact CG2-CG2 3.9Å; I725-W752 CarbonylContact O-C 3.57Å; I725-W752 WeakPolarHBondContact O-CA 3.18Å; I725-C753 PolarHBondContact O-N 3.43Å; I725-I755 HydrophobicContact CD1-CD1 3.6Å; I725-I755 HydrophobicContact CD1-CG1 4.1Å |
| 726 | L | 86 | Confident | 90.3 | Very high | 36 Ų | 36 | 40.5 Ų | 40.5 | 19% | 0.188 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 151.1 | 170.2 | -67.5 | 168.3 | 0 | 0 | 0 | 110.5 | S728 Q729 A730 E751 W752 | L726-S728 PolarHBondContact O-N 3.44Å; L726-S728 VanDerWaalsContact O-N 3.16Å; L726-Q729 HydrophobicContact CB-CG 4.31Å; L726-Q729 WeakPolarHBondContact O-CA 3.47Å; L726-Q729 WeakPolarHBondContact O-CB 3.03Å; L726-Q729 PolarHBondContact O-N 3.08Å; L726-A730 PolarHBondContact O-N 3.16Å; L726-A730 VanDerWaalsContact O-N 3.12Å; L726-E751 CarbonylContact C-O 3.58Å; L726-E751 WeakPolarHBondContact CA-O 3.36Å; L726-W752 HydrophobicContact CD2-CD2 3.92Å; L726-W752 HydrophobicContact CD2-CE3 4.03Å; L726-W752 HydrophobicContact CD2-CH2 3.94Å; L726-W752 HydrophobicContact CD2-CZ2 3.78Å; L726-W752 HydrophobicContact CD2-CZ3 4.05Å; L726-W752 HydrophobicContact CG-CE3 4.34Å; L726-W752 HydrophobicContact CG-CH2 4.21Å; L726-W752 HydrophobicContact CG-CZ3 4.09Å |
| 727 | A | 85.4 | Confident | 90.9 | Very high | 38 Ų | 38 | 35.1 Ų | 35.1 | 31% | 0.314 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -54.3 | -37.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q729 A730 E748 E751 C753 | A727-Q729 PolarHBondContact O-N 2.93Å; A727-A730 PolarHBondContact O-N 3.18Å; A727-E748 HydrophobicContact CB-CG 4.39Å; A727-E751 PolarHBondContact N-O 3.26Å; A727-C753 WeakPolarHBondContact CA-SG 3.28Å |
| 728 | S | 86.3 | Confident | 91.2 | Very high | 110 Ų | 110 | 33 Ų | 33 | 77% | 0.769 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -65.4 | -19.7 | 174.8 | 59.2 | 0 | 0 | 0 | 0 | 114.4 | L726 | L726-S728 PolarHBondContact O-N 3.44Å; L726-S728 VanDerWaalsContact O-N 3.16Å |
| 729 | Q | 90 | Very high | 90.7 | Very high | 68 Ų | 68 | 37 Ų | 37 | 32% | 0.318 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -103 | -13.4 | -178.5 | -63.3 | 176.8 | -35.6 | 0 | 0 | 112.9 | A700 I725 L726 A727 E731 S732 V733 | A700-Q729 HydrophobicContact CB-CB 4.04Å; A700-Q729 VanDerWaalsContact CB-OE1 3.31Å; I725-Q729 HydrophobicContact CG2-CB 3.94Å; L726-Q729 HydrophobicContact CB-CG 4.31Å; L726-Q729 WeakPolarHBondContact O-CA 3.47Å; L726-Q729 WeakPolarHBondContact O-CB 3.03Å; L726-Q729 PolarHBondContact O-N 3.08Å; A727-Q729 PolarHBondContact O-N 2.93Å; Q729-E731 VanDerWaalsContact C-N 3.31Å; Q729-E731 PolarHBondContact O-N 3.08Å; Q729-S732 PolarHBondContact O-N 3.07Å; Q729-S732 VanDerWaalsContact O-N 3.14Å; Q729-S732 PolarHBondContact O-OG 3.45Å; Q729-V733 PolarHBondContact O-N 2.93Å |
| 730 | A | 90.8 | Very high | 90.1 | Very high | 9 Ų | 9 | 37.2 Ų | 37.2 | 7% | 0.074 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.1 | -40.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I725 L726 A727 V733 C734 V746 C753 | I725-A730 HydrophobicContact CG2-CB 4.34Å; L726-A730 PolarHBondContact O-N 3.16Å; L726-A730 VanDerWaalsContact O-N 3.12Å; A727-A730 PolarHBondContact O-N 3.18Å; A730-V733 PolarHBondContact O-N 3.2Å; A730-C734 WeakPolarHBondContact O-CB 3.47Å; A730-C734 PolarHBondContact O-N 3.14Å; A730-C734 PolarHBondContact O-SG 3.07Å; A730-V746 HydrophobicContact CB-CG1 4.15Å; A730-C753 HydrophobicContact CB-CB 4.27Å |
| 731 | E | 89.1 | Confident | 89.6 | Confident | 147 Ų | 147 | 37.1 Ų | 37.1 | 69% | 0.687 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -60.5 | -48.1 | 177.7 | -173.8 | 170.7 | -155.2 | 0 | 0 | 111.5 | Q729 V733 C734 E735 | Q729-E731 VanDerWaalsContact C-N 3.31Å; Q729-E731 PolarHBondContact O-N 3.08Å; E731-V733 VanDerWaalsContact C-N 3.3Å; E731-V733 PolarHBondContact O-N 3.05Å; E731-C734 WeakPolarHBondContact O-CB 3.26Å; E731-C734 PolarHBondContact O-N 3.03Å; E731-C734 VanDerWaalsContact O-N 3.12Å; E731-E735 WeakPolarHBondContact O-CG 3.34Å; E731-E735 PolarHBondContact O-N 3.04Å |
| 732 | S | 91.1 | Very high | 89 | Confident | 32 Ų | 32 | 38.9 Ų | 38.9 | 22% | 0.224 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.4 | -32.1 | -179.8 | 75.8 | 0 | 0 | 0 | 0 | 113.5 | Q729 A736 | Q729-S732 PolarHBondContact O-N 3.07Å; Q729-S732 VanDerWaalsContact O-N 3.14Å; Q729-S732 PolarHBondContact O-OG 3.45Å; S732-A736 PolarHBondContact O-N 2.92Å |
| 733 | V | 93.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -75.5 | -40.7 | 174.1 | -177.9 | 0 | 0 | 0 | 0 | 109.9 | A700 L703 R704 L722 I725 Q729 A730 E731 E735 A736 Y737 I755 | A700-V733 HydrophobicContact CB-CG2 3.79Å; L703-V733 HydrophobicContact CB-CG1 4.31Å; L703-V733 HydrophobicContact CD1-CG1 4.32Å; R704-V733 HydrophobicContact CG-CG2 4.19Å; L722-V733 HydrophobicContact CD1-CG1 4.04Å; I725-V733 HydrophobicContact CD1-CB 4.13Å; I725-V733 HydrophobicContact CD1-CG1 3.78Å; I725-V733 HydrophobicContact CD1-CG2 4.18Å; I725-V733 HydrophobicContact CG1-CG2 4.23Å; I725-V733 HydrophobicContact CG2-CG2 3.9Å; Q729-V733 PolarHBondContact O-N 2.93Å; A730-V733 PolarHBondContact O-N 3.2Å; E731-V733 VanDerWaalsContact C-N 3.3Å; E731-V733 PolarHBondContact O-N 3.05Å; V733-E735 VanDerWaalsContact C-N 3.27Å; V733-E735 PolarHBondContact O-N 3.39Å; V733-A736 PolarHBondContact O-N 3.43Å; V733-Y737 HydrophobicContact CG1-CD2 4.14Å; V733-Y737 HydrophobicContact CG1-CE2 4.14Å; V733-Y737 WeakPolarHBondContact O-CD2 3.49Å; V733-Y737 PolarHBondContact O-N 3.41Å; V733-I755 HydrophobicContact CB-CD1 3.91Å; V733-I755 HydrophobicContact CG1-CD1 3.91Å |
| 734 | C | 91.9 | Very high | 88.2 | Confident | 10 Ų | 10 | 44 Ų | 44 | 7% | 0.068 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56 | -43.4 | 174.3 | -72.5 | 0 | 0 | 0 | 0 | 111.6 | A730 E731 A736 Y737 A738 L743 I755 | A730-C734 WeakPolarHBondContact O-CB 3.47Å; A730-C734 PolarHBondContact O-N 3.14Å; A730-C734 PolarHBondContact O-SG 3.07Å; E731-C734 WeakPolarHBondContact O-CB 3.26Å; E731-C734 PolarHBondContact O-N 3.03Å; E731-C734 VanDerWaalsContact O-N 3.12Å; C734-A736 VanDerWaalsContact C-N 3.34Å; C734-A736 PolarHBondContact O-N 3.23Å; C734-Y737 PolarHBondContact O-N 3.2Å; C734-A738 WeakPolarHBondContact O-CA 3.35Å; C734-A738 VanDerWaalsContact O-CB 3.24Å; C734-A738 WeakPolarHBondContact O-CB 3.16Å; C734-A738 PolarHBondContact O-N 3.12Å; C734-L743 HydrophobicContact CB-CD1 3.83Å; C734-L743 WeakPolarHBondContact O-CD1 3.4Å; C734-I755 VanDerWaalsContact SG-CD1 3.6Å |
| 735 | E | 90.2 | Very high | 88.1 | Confident | 129 Ų | 129 | 49.1 Ų | 49.1 | 60% | 0.603 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -58.4 | -42.6 | 177.8 | -73.2 | 177.6 | 168.9 | 0 | 0 | 112.5 | E731 V733 Y737 A738 | E731-E735 WeakPolarHBondContact O-CG 3.34Å; E731-E735 PolarHBondContact O-N 3.04Å; V733-E735 VanDerWaalsContact C-N 3.27Å; V733-E735 PolarHBondContact O-N 3.39Å; E735-Y737 PolarHBondContact O-N 2.94Å; E735-A738 PolarHBondContact O-N 3.34Å |
| 736 | A | 90.6 | Very high | 88.2 | Confident | 40 Ų | 40 | 51.9 Ų | 51.9 | 33% | 0.331 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.7 | -25.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R704 A707 S732 V733 C734 | R704-A736 HydrophobicContact CB-CB 4.33Å; R704-A736 HydrophobicContact CG-CB 4Å; A707-A736 HydrophobicContact CB-CB 4.12Å; S732-A736 PolarHBondContact O-N 2.92Å; V733-A736 PolarHBondContact O-N 3.43Å; C734-A736 VanDerWaalsContact C-N 3.34Å; C734-A736 PolarHBondContact O-N 3.23Å |
| 737 | Y | 92.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 53 Ų | 53 | 0% | 0.004 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -107.1 | -9.3 | -179.6 | -71.1 | -96.8 | 0 | 0 | 0 | 113.5 | L703 A707 I710 L720 L722 V733 C734 E735 D739 S740 F741 | L703-Y737 VanDerWaalsContact O-CE2 3.27Å; L703-Y737 WeakPolarHBondContact O-CE2 3.47Å; L703-Y737 PolarHBondContact O-OH 2.74Å; A707-Y737 WeakPolarHBondContact CA-OH 3.32Å; A707-Y737 HydrophobicContact CB-CD2 4.23Å; A707-Y737 HydrophobicContact CB-CE1 4.17Å; A707-Y737 HydrophobicContact CB-CE2 3.72Å; I710-Y737 HydrophobicContact CB-CE1 4.16Å; I710-Y737 WeakPolarHBondContact CD1-OH 3.01Å; I710-Y737 HydrophobicContact CG2-CE1 3.93Å; L720-Y737 HydrophobicContact CD2-CD1 3.53Å; L720-Y737 HydrophobicContact CD2-CE1 3.74Å; L720-Y737 HydrophobicContact CD2-CG 4.45Å; L722-Y737 HydrophobicContact CD1-CD1 4.08Å; L722-Y737 HydrophobicContact CD1-CD2 3.63Å; L722-Y737 HydrophobicContact CD1-CE1 3.97Å; L722-Y737 HydrophobicContact CD1-CE2 3.54Å; L722-Y737 HydrophobicContact CD1-CG 3.91Å; L722-Y737 HydrophobicContact CD2-CE1 4.46Å; V733-Y737 HydrophobicContact CG1-CD2 4.14Å; V733-Y737 HydrophobicContact CG1-CE2 4.14Å; V733-Y737 WeakPolarHBondContact O-CD2 3.49Å; V733-Y737 PolarHBondContact O-N 3.41Å; C734-Y737 PolarHBondContact O-N 3.2Å; E735-Y737 PolarHBondContact O-N 2.94Å; Y737-D739 PolarHBondContact O-N 3.15Å; Y737-D739 VanDerWaalsContact O-N 3.13Å; Y737-S740 PolarHBondContact O-N 3.23Å; Y737-F741 AromaticContact CD1-CD2 3.94Å; Y737-F741 HydrophobicContact CD1-CD2 3.94Å; Y737-F741 AromaticContact CD1-CE2 3.95Å; Y737-F741 HydrophobicContact CD1-CE2 3.95Å; Y737-F741 PolarHBondContact O-N 3.12Å |
| 738 | A | 84.9 | Confident | 88.8 | Confident | 16 Ų | 16 | 56.9 Ų | 56.9 | 13% | 0.132 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -24.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114 | C734 E735 R800 | C734-A738 WeakPolarHBondContact O-CA 3.35Å; C734-A738 VanDerWaalsContact O-CB 3.24Å; C734-A738 WeakPolarHBondContact O-CB 3.16Å; C734-A738 PolarHBondContact O-N 3.12Å; E735-A738 PolarHBondContact O-N 3.34Å; A738-R800 PolarHBondContact O-NH2 3.03Å |
| 739 | D | 80.8 | Confident | 88.8 | Confident | 88 Ų | 88 | 54.8 Ų | 54.8 | 47% | 0.471 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -16.6 | 179 | -84.5 | 6.9 | 0 | 0 | 0 | 113.4 | Y737 M760 R766 | Y737-D739 PolarHBondContact O-N 3.15Å; Y737-D739 VanDerWaalsContact O-N 3.13Å; D739-M760 WeakPolarHBondContact O-CE 3.48Å; D739-R766 IonicContact OD2-NH1 3.08Å; D739-R766 PolarHBondContact OD2-NH1 3.5Å; D739-R766 VanDerWaalsContact OD2-NH1 3.16Å |
| 740 | S | 82.3 | Confident | 88.6 | Confident | 48 Ų | 48 | 58 Ų | 58 | 34% | 0.336 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -22.8 | -178.7 | -60.8 | 0 | 0 | 0 | 0 | 113.2 | Y737 M760 | Y737-S740 PolarHBondContact O-N 3.23Å; S740-M760 PolarHBondContact O-N 2.99Å |
| 741 | F | 85.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -127.6 | 144.1 | -172.7 | -65 | -93.3 | 0 | 0 | 0 | 113.6 | P714 L720 Y737 L743 P758 P759 R800 | P714-F741 HydrophobicContact CG-CE1 3.95Å; P714-F741 HydrophobicContact CG-CZ 3.96Å; L720-F741 HydrophobicContact CB-CD1 3.83Å; L720-F741 HydrophobicContact CB-CE1 3.51Å; L720-F741 HydrophobicContact CB-CZ 4.14Å; L720-F741 HydrophobicContact CD2-CD1 3.99Å; L720-F741 HydrophobicContact CD2-CD2 3.92Å; L720-F741 HydrophobicContact CD2-CE1 3.77Å; L720-F741 HydrophobicContact CD2-CE2 3.7Å; L720-F741 HydrophobicContact CD2-CG 4.1Å; L720-F741 HydrophobicContact CD2-CZ 3.64Å; L720-F741 HydrophobicContact CG-CE1 4.24Å; L720-F741 HydrophobicContact CG-CZ 4.42Å; Y737-F741 AromaticContact CD1-CD2 3.94Å; Y737-F741 HydrophobicContact CD1-CD2 3.94Å; Y737-F741 AromaticContact CD1-CE2 3.95Å; Y737-F741 HydrophobicContact CD1-CE2 3.95Å; Y737-F741 PolarHBondContact O-N 3.12Å; F741-L743 HydrophobicContact CB-CD2 3.58Å; F741-L743 HydrophobicContact CB-CG 4.25Å; F741-L743 PolarHBondContact O-N 3.21Å; F741-P758 WeakPolarHBondContact CA-O 3.15Å; F741-P759 HydrophobicContact CD1-CB 4.44Å; F741-P759 HydrophobicContact CD1-CG 4.26Å; F741-P759 HydrophobicContact CE1-CB 4.17Å; F741-P759 HydrophobicContact CE1-CG 3.71Å; F741-P759 HydrophobicContact CZ-CG 4.49Å; F741-R800 PolarHBondContact O-NH2 2.96Å; F741-R800 VanDerWaalsContact O-NH2 3.12Å |
| 742 | A | 83.2 | Confident | 88.5 | Confident | 38 Ų | 38 | 58.2 Ų | 58.2 | 31% | 0.314 | 32% | 0.32 | S | S | . | . | trans | -83.2 | 86.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | G757 P758 M760 | A742-G757 WeakPolarHBondContact O-CA 3.34Å; A742-P758 HydrophobicContact CB-CG 4.39Å; A742-P758 PolarHBondContact N-O 3.27Å; A742-P758 WeakPolarHBondContact O-CD 3.48Å; A742-M760 HydrophobicContact CB-CG 4.28Å | ||
| 743 | L | 88.6 | Confident | 88.5 | Confident | 34 Ų | 34 | 56.8 Ų | 56.8 | 18% | 0.178 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 131.2 | -174.7 | -56.6 | 178.6 | 0 | 0 | 0 | 112.1 | C734 F741 I755 T756 | C734-L743 HydrophobicContact CB-CD1 3.83Å; C734-L743 WeakPolarHBondContact O-CD1 3.4Å; F741-L743 HydrophobicContact CB-CD2 3.58Å; F741-L743 HydrophobicContact CB-CG 4.25Å; F741-L743 PolarHBondContact O-N 3.21Å; L743-I755 HydrophobicContact CB-CG2 4.44Å; L743-I755 HydrophobicContact CD1-CG2 4.17Å; L743-I755 HydrophobicContact CD2-CG2 3.93Å; L743-I755 HydrophobicContact CG-CG2 4.4Å; L743-T756 CarbonylContact C-O 3.49Å; L743-T756 WeakPolarHBondContact CA-O 3.23Å |
| 744 | D | 88.4 | Confident | 88.6 | Confident | 73 Ų | 73 | 58.2 Ų | 58.2 | 39% | 0.39 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 164 | 170.5 | -59.5 | -44.4 | 0 | 0 | 0 | 111 | V746 T756 | D744-V746 PolarHBondContact O-N 2.75Å; D744-T756 WeakPolarHBondContact CB-O 3.45Å; D744-T756 PolarHBondContact N-O 3.03Å; D744-T756 WeakPolarHBondContact OD2-CB 3.18Å; D744-T756 PolarHBondContact OD2-OG1 2.81Å |
| 745 | P | 88 | Confident | 88.8 | Confident | 114 Ų | 114 | 57.9 Ų | 57.9 | 74% | 0.74 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -54 | 133.3 | 168.4 | -25.2 | 35 | 0 | 0 | 0 | 111.8 | V747 | P745-V747 PolarHBondContact O-N 3.28Š|
| 746 | V | 92.2 | Very high | 89.1 | Confident | 59 Ų | 59 | 52 Ų | 52 | 36% | 0.358 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 130.6 | 179.6 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | A730 D744 C753 I755 | A730-V746 HydrophobicContact CB-CG1 4.15Å; D744-V746 PolarHBondContact O-N 2.75Å; V746-C753 HydrophobicContact CG1-CB 3.54Å; V746-I755 HydrophobicContact CG1-CG1 4.29Å; V746-I755 HydrophobicContact CG2-CG1 4.14Å |
| 747 | V | 92.9 | Very high | 88.9 | Confident | 58 Ų | 58 | 50.1 Ų | 50.1 | 35% | 0.352 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 122.1 | 175.9 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | L614 P745 C753 R754 | L614-V747 HydrophobicContact CD2-CG1 3.84Å; P745-V747 PolarHBondContact O-N 3.28Å; V747-C753 CarbonylContact O-C 3.59Å; V747-C753 VanDerWaalsContact O-CA 3.31Å; V747-C753 WeakPolarHBondContact O-CA 3.49Å; V747-R754 PolarHBondContact N-O 2.77Å; V747-R754 PolarHBondContact O-N 2.86Å |
| 748 | E | 91.7 | Very high | 88.7 | Confident | 121 Ų | 121 | 52.2 Ų | 52.2 | 57% | 0.565 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 141.6 | -179.1 | -169.6 | -177.1 | 143.6 | 0 | 0 | 111.5 | A727 W752 | A727-E748 HydrophobicContact CB-CG 4.39Å; E748-W752 CarbonylContact C-O 3.6Å; E748-W752 WeakPolarHBondContact CA-O 3.39Å |
| 749 | K | 86.9 | Confident | 88.5 | Confident | 65 Ų | 65 | 52.7 Ų | 52.7 | 28% | 0.283 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 118.6 | 169.5 | -179.1 | 178.4 | 176.2 | 177.5 | 0 | 109 | P610 S613 L614 E751 W752 | P610-K749 HydrophobicContact CB-CD 4.49Å; P610-K749 HydrophobicContact CB-CG 4.29Å; P610-K749 WeakPolarHBondContact CB-O 3.36Å; S613-K749 PolarHBondContact OG-NZ 3.05Å; L614-K749 HydrophobicContact CD1-CB 4.02Å; L614-K749 HydrophobicContact CD2-CB 3.83Å; L614-K749 HydrophobicContact CG-CB 3.97Å; K749-E751 PolarHBondContact O-N 3.13Å; K749-W752 PolarHBondContact N-O 3.37Å; K749-W752 PolarHBondContact O-N 3.26Å |
| 750 | E | 85.4 | Confident | 88.3 | Confident | 136 Ų | 136 | 49.6 Ų | 49.6 | 64% | 0.636 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 52 | 175.7 | -62.5 | 166.7 | -140.6 | 0 | 0 | 111.9 | P610 W752 | P610-E750 HydrophobicContact CB-CB 4.26Å; P610-E750 HydrophobicContact CG-CB 3.81Å; P610-E750 HydrophobicContact CG-CG 4.46Å; P610-E750 WeakPolarHBondContact CG-OE2 3.22Å; E750-W752 PolarHBondContact O-N 3.41Å; E750-W752 VanDerWaalsContact O-N 3.08Å |
| 751 | E | 85.6 | Confident | 87.6 | Confident | 139 Ų | 139 | 49.6 Ų | 49.6 | 65% | 0.65 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | -5.8 | -177.3 | -49.5 | -173.4 | 152 | 0 | 0 | 116.3 | L726 A727 K749 | L726-E751 CarbonylContact C-O 3.58Å; L726-E751 WeakPolarHBondContact CA-O 3.36Å; A727-E751 PolarHBondContact N-O 3.26Å; K749-E751 PolarHBondContact O-N 3.13Å |
| 752 | W | 91.1 | Very high | 86.7 | Confident | 22 Ų | 22 | 51.5 Ų | 51.5 | 8% | 0.083 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 148.2 | 175 | -65.5 | 91.6 | 0 | 0 | 0 | 111.8 | F508 H609 P610 T611 I725 L726 E748 K749 E750 | F508-W752 HydrophobicContact CD1-CZ2 4.42Å; F508-W752 HydrophobicContact CE1-CZ2 4.25Å; F508-W752 HydrophobicContact CZ-CZ2 4.29Å; H609-W752 AromaticContact CE1-CD2 3.74Å; H609-W752 AromaticContact CE1-CE2 3.31Å; H609-W752 AromaticContact CE1-CZ2 3.52Å; H609-W752 AromaticContact CE1-NE1 3.51Å; H609-W752 AromaticContact NE2-CE2 3.75Å; H609-W752 AromaticContact NE2-CZ2 3.77Å; H609-W752 AromaticContact NE2-NE1 3.72Å; P610-W752 HydrophobicContact CB-CB 4.03Å; P610-W752 HydrophobicContact CB-CG 4.19Å; T611-W752 HydrophobicContact CG2-CB 3.69Å; T611-W752 HydrophobicContact CG2-CD2 3.46Å; T611-W752 VanDerWaalsContact CG2-CD2 3.46Å; T611-W752 HydrophobicContact CG2-CE3 3.23Å; T611-W752 HydrophobicContact CG2-CG 3.66Å; T611-W752 HydrophobicContact CG2-CZ3 4.02Å; I725-W752 CarbonylContact O-C 3.57Å; I725-W752 WeakPolarHBondContact O-CA 3.18Å; L726-W752 HydrophobicContact CD2-CD2 3.92Å; L726-W752 HydrophobicContact CD2-CE3 4.03Å; L726-W752 HydrophobicContact CD2-CH2 3.94Å; L726-W752 HydrophobicContact CD2-CZ2 3.78Å; L726-W752 HydrophobicContact CD2-CZ3 4.05Å; L726-W752 HydrophobicContact CG-CE3 4.34Å; L726-W752 HydrophobicContact CG-CH2 4.21Å; L726-W752 HydrophobicContact CG-CZ3 4.09Å; E748-W752 CarbonylContact C-O 3.6Å; E748-W752 WeakPolarHBondContact CA-O 3.39Å; K749-W752 PolarHBondContact N-O 3.37Å; K749-W752 PolarHBondContact O-N 3.26Å; E750-W752 PolarHBondContact O-N 3.41Å; E750-W752 VanDerWaalsContact O-N 3.08Å |
| 753 | C | 91.9 | Very high | 85.7 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.014 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 153.5 | -174.1 | -69.2 | 0 | 0 | 0 | 0 | 113.1 | S723 I725 A727 A730 V746 V747 | S723-C753 PolarHBondContact OG-O 3.17Å; I725-C753 PolarHBondContact O-N 3.43Å; A727-C753 WeakPolarHBondContact CA-SG 3.28Å; A730-C753 HydrophobicContact CB-CB 4.27Å; V746-C753 HydrophobicContact CG1-CB 3.54Å; V747-C753 CarbonylContact O-C 3.59Å; V747-C753 VanDerWaalsContact O-CA 3.31Å; V747-C753 WeakPolarHBondContact O-CA 3.49Å |
| 754 | R | 96.2 | Very high | 84.6 | Confident | 30 Ų | 30 | 51.7 Ų | 51.7 | 11% | 0.113 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 129.8 | 163.4 | -174.6 | -165.4 | 73.7 | -152.4 | 4.6 | 109.1 | L614 L722 V747 T756 | L614-R754 HydrophobicContact CB-CB 3.85Å; L614-R754 HydrophobicContact CB-CG 4.48Å; L614-R754 HydrophobicContact CD1-CB 4.08Å; L614-R754 HydrophobicContact CG-CB 4.38Å; L614-R754 WeakPolarHBondContact O-CD 3.49Å; L614-R754 PolarHBondContact O-NH1 3.48Å; L722-R754 CarbonylContact O-C 3.53Å; L722-R754 VanDerWaalsContact O-CA 3.26Å; L722-R754 WeakPolarHBondContact O-CA 3.37Å; V747-R754 PolarHBondContact N-O 2.77Å; V747-R754 PolarHBondContact O-N 2.86Å; R754-T756 HydrophobicContact CG-CG2 4.01Å |
| 755 | I | 96.1 | Very high | 83.5 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 126.6 | 174.4 | -54.4 | 170.7 | 0 | 0 | 0 | 106.9 | G721 L722 I725 V733 C734 L743 V746 | G721-I755 CarbonylContact C-O 3.57Å; G721-I755 WeakPolarHBondContact CA-O 3.39Å; L722-I755 HydrophobicContact CB-CB 4.38Å; L722-I755 PolarHBondContact N-O 3.3Å; L722-I755 PolarHBondContact O-N 3.33Å; I725-I755 HydrophobicContact CD1-CD1 3.6Å; I725-I755 HydrophobicContact CD1-CG1 4.1Å; V733-I755 HydrophobicContact CB-CD1 3.91Å; V733-I755 HydrophobicContact CG1-CD1 3.91Å; C734-I755 VanDerWaalsContact SG-CD1 3.6Å; L743-I755 HydrophobicContact CB-CG2 4.44Å; L743-I755 HydrophobicContact CD1-CG2 4.17Å; L743-I755 HydrophobicContact CD2-CG2 3.93Å; L743-I755 HydrophobicContact CG-CG2 4.4Å; V746-I755 HydrophobicContact CG1-CG1 4.29Å; V746-I755 HydrophobicContact CG2-CG1 4.14Å |
| 756 | T | 95.6 | Very high | 82.5 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 159.4 | 177.2 | 52.8 | 0 | 0 | 0 | 0 | 110.6 | W618 L720 L743 D744 R754 | W618-T756 HydrophobicContact CD2-CG2 3.75Å; W618-T756 VanDerWaalsContact CE2-CG2 3.45Å; W618-T756 HydrophobicContact CE3-CG2 4.29Å; W618-T756 HydrophobicContact CG-CG2 4.11Å; W618-T756 HydrophobicContact CH2-CG2 4.32Å; W618-T756 HydrophobicContact CZ2-CG2 3.78Å; L720-T756 CarbonylContact O-C 3.31Å; L720-T756 WeakPolarHBondContact O-CA 3.33Å; L743-T756 CarbonylContact C-O 3.49Å; L743-T756 WeakPolarHBondContact CA-O 3.23Å; D744-T756 WeakPolarHBondContact CB-O 3.45Å; D744-T756 PolarHBondContact N-O 3.03Å; D744-T756 WeakPolarHBondContact OD2-CB 3.18Å; D744-T756 PolarHBondContact OD2-OG1 2.81Å; R754-T756 HydrophobicContact CG-CG2 4.01Å |
| 757 | G | 87.8 | Confident | 81.3 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.9 | 152.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L720 A742 | L720-G757 PolarHBondContact N-O 3.31Å; L720-G757 PolarHBondContact O-N 3.3Å; A742-G757 WeakPolarHBondContact O-CA 3.34Å |
| 758 | P | 86.8 | Confident | 80.2 | Confident | 45 Ų | 45 | 51.4 Ų | 51.4 | 29% | 0.292 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 153.5 | 168.9 | 30.3 | -34.6 | 0 | 0 | 0 | 111.6 | G718 L719 F741 A742 | G718-P758 WeakPolarHBondContact O-CA 3.36Å; L719-P758 HydrophobicContact CD2-CB 4.1Å; F741-P758 WeakPolarHBondContact CA-O 3.15Å; A742-P758 HydrophobicContact CB-CG 4.39Å; A742-P758 PolarHBondContact N-O 3.27Å; A742-P758 WeakPolarHBondContact O-CD 3.48Å |
| 759 | P | 82.3 | Confident | 79.4 | Confident | 25 Ų | 25 | 46 Ų | 46 | 16% | 0.162 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -53.6 | 142.8 | 164.1 | -20.9 | 31.2 | 0 | 0 | 0 | 110 | P714 G718 F741 | P714-P759 HydrophobicContact CB-CG 3.72Å; P714-P759 HydrophobicContact CG-CG 4.45Å; G718-P759 WeakPolarHBondContact O-CD 3.24Å; F741-P759 HydrophobicContact CD1-CB 4.44Å; F741-P759 HydrophobicContact CD1-CG 4.26Å; F741-P759 HydrophobicContact CE1-CB 4.17Å; F741-P759 HydrophobicContact CE1-CG 3.71Å; F741-P759 HydrophobicContact CZ-CG 4.49Å |
| 760 | M | 75.4 | Confident | 78.6 | Confident | 23 Ų | 23 | 45.7 Ų | 45.7 | 11% | 0.113 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 144.6 | 170.8 | -66.3 | -164.8 | -73 | 0 | 0 | 110 | D739 S740 A742 T764 D765 | D739-M760 WeakPolarHBondContact O-CE 3.48Å; S740-M760 PolarHBondContact O-N 2.99Å; A742-M760 HydrophobicContact CB-CG 4.28Å; M760-T764 VanDerWaalsContact SD-O 3.38Å; M760-D765 HydrophobicContact CB-CB 4.45Å |
| 761 | A | 67.2 | Low | 78.1 | Confident | 48 Ų | 48 | 43.3 Ų | 43.3 | 40% | 0.397 | 24% | 0.241 | S | C | . | . | trans | -146.1 | 145.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I763 T764 | A761-I763 PolarHBondContact O-N 3.12Å; A761-T764 PolarHBondContact N-OG1 3.31Å; A761-T764 PolarHBondContact O-N 3.32Å; A761-T764 PolarHBondContact O-OG1 3.18Å | ||
| 762 | G | 67.5 | Low | 77.7 | Confident | 41 Ų | 41 | 37.4 Ų | 37.4 | 42% | 0.423 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | 61.3 | -131.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | T764 D765 F768 | G762-T764 PolarHBondContact O-N 2.86Å; G762-D765 WeakPolarHBondContact O-CB 3.37Å; G762-D765 PolarHBondContact O-N 2.92Å; G762-F768 VanDerWaalsContact C-CD1 3.49Å; G762-F768 WeakPolarHBondContact O-CD1 3.33Å |
| 763 | I | 63.1 | Low | 77 | Confident | 34 Ų | 34 | 38.6 Ų | 38.6 | 17% | 0.174 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -64.7 | -19.1 | -176.9 | 56.5 | 161.2 | 0 | 0 | 0 | 114.3 | A761 F768 R769 V781 M784 M785 N788 | A761-I763 PolarHBondContact O-N 3.12Å; I763-F768 HydrophobicContact CG2-CE1 4.36Å; I763-R769 WeakPolarHBondContact O-CD 3.27Å; I763-R769 VanDerWaalsContact O-CG 3.26Å; I763-R769 WeakPolarHBondContact O-CG 3.27Å; I763-R769 PolarHBondContact O-NH1 3.39Å; I763-R769 VanDerWaalsContact O-NH1 3.1Å; I763-V781 HydrophobicContact CG2-CG1 4.41Å; I763-M784 HydrophobicContact CB-CB 4.48Å; I763-M784 VanDerWaalsContact CD1-C 3.46Å; I763-M784 HydrophobicContact CD1-CB 3.92Å; I763-M784 VanDerWaalsContact CD1-O 3.23Å; I763-M784 WeakPolarHBondContact CD1-O 3.11Å; I763-M784 HydrophobicContact CG2-CB 3.78Å; I763-M784 HydrophobicContact CG2-CG 4.48Å; I763-M784 HydrophobicContact CG2-SD 3.87Å; I763-M785 HydrophobicContact CB-CG 4.29Å; I763-M785 HydrophobicContact CD1-CG 4.31Å; I763-N788 HydrophobicContact CD1-CB 4.4Å |
| 764 | T | 64.3 | Low | 76.2 | Confident | 41 Ų | 41 | 45.8 Ų | 45.8 | 25% | 0.252 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -83 | -19.2 | 174.6 | 60.1 | 0 | 0 | 0 | 0 | 112.2 | M760 A761 G762 R766 R769 | M760-T764 VanDerWaalsContact SD-O 3.38Å; A761-T764 PolarHBondContact N-OG1 3.31Å; A761-T764 PolarHBondContact O-N 3.32Å; A761-T764 PolarHBondContact O-OG1 3.18Å; G762-T764 PolarHBondContact O-N 2.86Å; T764-R766 PolarHBondContact O-N 3.42Å; T764-R769 VanDerWaalsContact C-NH1 3.25Å; T764-R769 PolarHBondContact O-NH1 2.88Å |
| 765 | D | 66.4 | Low | 75.7 | Confident | 43 Ų | 43 | 51.2 Ų | 51.2 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | trans | -74.4 | 119.5 | 176.7 | 180 | 59.3 | 0 | 0 | 0 | 111.1 | M760 G762 P767 F768 R769 | M760-D765 HydrophobicContact CB-CB 4.45Å; G762-D765 WeakPolarHBondContact O-CB 3.37Å; G762-D765 PolarHBondContact O-N 2.92Å; D765-P767 WeakPolarHBondContact OD1-CD 3.28Å; D765-F768 HydrophobicContact CB-CB 3.97Å; D765-F768 PolarHBondContact O-N 2.95Å; D765-F768 VanDerWaalsContact OD2-CB 3.29Å; D765-F768 WeakPolarHBondContact OD2-CB 3.45Å; D765-F768 PolarHBondContact OD2-N 3.32Å; D765-R769 WeakPolarHBondContact O-CG 3.39Å; D765-R769 PolarHBondContact O-N 3.44Å | ||
| 766 | R | 66.1 | Low | 75 | Confident | 84 Ų | 84 | 54.5 Ų | 54.5 | 32% | 0.317 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.4 | -47.6 | -174.7 | -177.7 | 178.6 | 178.6 | -163.7 | -0.9 | 112.5 | D739 T764 F768 R769 T770 | D739-R766 IonicContact OD2-NH1 3.08Å; D739-R766 PolarHBondContact OD2-NH1 3.5Å; D739-R766 VanDerWaalsContact OD2-NH1 3.16Å; T764-R766 PolarHBondContact O-N 3.42Å; R766-F768 VanDerWaalsContact C-N 3.29Å; R766-F768 PolarHBondContact O-N 3.12Å; R766-R769 WeakPolarHBondContact O-CB 3.29Å; R766-R769 PolarHBondContact O-N 3.32Å; R766-T770 PolarHBondContact O-N 3.17Å; R766-T770 PolarHBondContact O-OG1 3.24Å; R766-T770 VanDerWaalsContact O-OG1 3.08Å |
| 767 | P | 66.4 | Low | 74.2 | Confident | 86 Ų | 86 | 55.9 Ų | 55.9 | 56% | 0.558 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -51.1 | -44.6 | 171.1 | -28.2 | 33.8 | 0 | 0 | 0 | 113.8 | D765 R769 T770 L771 | D765-P767 WeakPolarHBondContact OD1-CD 3.28Å; P767-R769 PolarHBondContact O-N 2.86Å; P767-T770 PolarHBondContact O-N 3.15Å; P767-L771 WeakPolarHBondContact O-CB 3.13Å; P767-L771 PolarHBondContact O-N 3.41Å |
| 768 | F | 69.8 | Low | 73.5 | Confident | 85 Ų | 85 | 56.1 Ų | 56.1 | 37% | 0.373 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 174.8 | 177.7 | -98.7 | 0 | 0 | 0 | 112.4 | G762 I763 D765 R766 L771 C772 V781 | G762-F768 VanDerWaalsContact C-CD1 3.49Å; G762-F768 WeakPolarHBondContact O-CD1 3.33Å; I763-F768 HydrophobicContact CG2-CE1 4.36Å; D765-F768 HydrophobicContact CB-CB 3.97Å; D765-F768 PolarHBondContact O-N 2.95Å; D765-F768 VanDerWaalsContact OD2-CB 3.29Å; D765-F768 WeakPolarHBondContact OD2-CB 3.45Å; D765-F768 PolarHBondContact OD2-N 3.32Å; R766-F768 VanDerWaalsContact C-N 3.29Å; R766-F768 PolarHBondContact O-N 3.12Å; F768-L771 PolarHBondContact O-N 3.32Å; F768-C772 VanDerWaalsContact CE1-SG 3.53Å; F768-C772 VanDerWaalsContact CZ-SG 3.52Å; F768-C772 WeakPolarHBondContact O-CB 3.4Å; F768-C772 PolarHBondContact O-N 3.48Å; F768-C772 PolarHBondContact O-SG 3.33Å; F768-V781 HydrophobicContact CE1-CG2 4.5Å |
| 769 | R | 74.5 | Confident | 72.7 | Confident | 8 Ų | 8 | 58.1 Ų | 58.1 | 3% | 0.03 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.2 | -48 | 175 | -64.1 | -154 | -65.6 | -72.1 | -5.8 | 111.6 | I763 T764 D765 R766 P767 L771 C772 Y773 V781 M785 E806 | I763-R769 WeakPolarHBondContact O-CD 3.27Å; I763-R769 VanDerWaalsContact O-CG 3.26Å; I763-R769 WeakPolarHBondContact O-CG 3.27Å; I763-R769 PolarHBondContact O-NH1 3.39Å; I763-R769 VanDerWaalsContact O-NH1 3.1Å; T764-R769 VanDerWaalsContact C-NH1 3.25Å; T764-R769 PolarHBondContact O-NH1 2.88Å; D765-R769 WeakPolarHBondContact O-CG 3.39Å; D765-R769 PolarHBondContact O-N 3.44Å; R766-R769 WeakPolarHBondContact O-CB 3.29Å; R766-R769 PolarHBondContact O-N 3.32Å; P767-R769 PolarHBondContact O-N 2.86Å; R769-L771 VanDerWaalsContact C-N 3.29Å; R769-L771 PolarHBondContact O-N 3.5Å; R769-C772 CarbonylContact O-C 3.54Å; R769-C772 WeakPolarHBondContact O-CA 3.35Å; R769-C772 WeakPolarHBondContact O-CB 3.15Å; R769-C772 PolarHBondContact O-N 2.91Å; R769-Y773 VanDerWaalsContact C-CD2 3.44Å; R769-Y773 HydrophobicContact CB-CD2 4.27Å; R769-Y773 HydrophobicContact CB-CE2 3.86Å; R769-Y773 WeakPolarHBondContact O-CD2 3.3Å; R769-Y773 PolarHBondContact O-N 2.95Å; R769-V781 HydrophobicContact CB-CG1 4.07Å; R769-V781 HydrophobicContact CG-CG1 3.51Å; R769-M785 VanDerWaalsContact CD-SD 3.52Å; R769-E806 IonicContact CZ-OE1 3.08Å; R769-E806 IonicContact NE-OE1 3.78Å; R769-E806 PolarHBondContact NE-OE1 3.41Å; R769-E806 IonicContact NE-OE2 2.91Å; R769-E806 PolarHBondContact NE-OE2 2.62Å; R769-E806 IonicContact NH2-OE1 3.26Å; R769-E806 PolarHBondContact NH2-OE1 3.02Å |
| 770 | T | 71.3 | Confident | 72.3 | Confident | 59 Ų | 59 | 60.4 Ų | 60.4 | 36% | 0.362 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -54.1 | -47.2 | 176 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | R766 P767 C772 Y773 E774 | R766-T770 PolarHBondContact O-N 3.17Å; R766-T770 PolarHBondContact O-OG1 3.24Å; R766-T770 VanDerWaalsContact O-OG1 3.08Å; P767-T770 PolarHBondContact O-N 3.15Å; T770-C772 PolarHBondContact O-N 3.48Å; T770-Y773 WeakPolarHBondContact O-CB 3.11Å; T770-Y773 PolarHBondContact O-N 3.12Å; T770-Y773 VanDerWaalsContact O-N 3.17Å; T770-E774 WeakPolarHBondContact O-CG 3.29Å; T770-E774 PolarHBondContact O-N 2.98Å |
| 771 | L | 74.7 | Confident | 72.2 | Confident | 86 Ų | 86 | 59.6 Ų | 59.6 | 45% | 0.45 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 175.1 | -177.5 | 66.8 | 0 | 0 | 0 | 111.8 | P767 F768 R769 Y773 E774 M775 | P767-L771 WeakPolarHBondContact O-CB 3.13Å; P767-L771 PolarHBondContact O-N 3.41Å; F768-L771 PolarHBondContact O-N 3.32Å; R769-L771 VanDerWaalsContact C-N 3.29Å; R769-L771 PolarHBondContact O-N 3.5Å; L771-Y773 VanDerWaalsContact C-N 3.31Å; L771-Y773 PolarHBondContact O-N 3.37Å; L771-E774 PolarHBondContact O-N 3.47Å; L771-M775 HydrophobicContact CD1-CG 4.3Å; L771-M775 HydrophobicContact CD1-SD 4.14Å; L771-M775 HydrophobicContact CD2-SD 4.48Å; L771-M775 HydrophobicContact CG-CG 4.43Å; L771-M775 HydrophobicContact CG-SD 3.98Å; L771-M775 WeakPolarHBondContact O-CB 3.48Å; L771-M775 VanDerWaalsContact O-CG 3.23Å; L771-M775 WeakPolarHBondContact O-CG 3.42Å; L771-M775 PolarHBondContact O-N 2.89Å |
| 772 | C | 78 | Confident | 72.3 | Confident | 14 Ų | 14 | 57.6 Ų | 57.6 | 10% | 0.095 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.8 | -37.4 | 175.8 | -69.1 | 0 | 0 | 0 | 0 | 112.3 | F768 R769 T770 M775 G776 A777 G778 V781 | F768-C772 VanDerWaalsContact CE1-SG 3.53Å; F768-C772 VanDerWaalsContact CZ-SG 3.52Å; F768-C772 WeakPolarHBondContact O-CB 3.4Å; F768-C772 PolarHBondContact O-N 3.48Å; F768-C772 PolarHBondContact O-SG 3.33Å; R769-C772 CarbonylContact O-C 3.54Å; R769-C772 WeakPolarHBondContact O-CA 3.35Å; R769-C772 WeakPolarHBondContact O-CB 3.15Å; R769-C772 PolarHBondContact O-N 2.91Å; T770-C772 PolarHBondContact O-N 3.48Å; C772-M775 CarbonylContact O-C 3.58Å; C772-M775 PolarHBondContact O-N 3.47Å; C772-G776 PolarHBondContact O-N 2.89Å; C772-A777 HydrophobicContact CB-CB 4.22Å; C772-A777 CarbonylContact O-C 3.47Å; C772-A777 WeakPolarHBondContact O-CA 3.25Å; C772-A777 PolarHBondContact O-N 2.96Å; C772-G778 PolarHBondContact O-N 2.86Å; C772-V781 HydrophobicContact CB-CB 4.34Å; C772-V781 HydrophobicContact CB-CG2 3.44Å; C772-V781 VanDerWaalsContact CB-CG2 3.44Å |
| 773 | Y | 75.1 | Confident | 72.4 | Confident | 47 Ų | 47 | 60 Ų | 60 | 18% | 0.184 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.3 | -48.2 | 173 | -70.1 | -64.6 | 0 | 0 | 0 | 111.2 | R769 T770 L771 M775 G776 G778 S782 E806 P807 | R769-Y773 VanDerWaalsContact C-CD2 3.44Å; R769-Y773 HydrophobicContact CB-CD2 4.27Å; R769-Y773 HydrophobicContact CB-CE2 3.86Å; R769-Y773 WeakPolarHBondContact O-CD2 3.3Å; R769-Y773 PolarHBondContact O-N 2.95Å; T770-Y773 WeakPolarHBondContact O-CB 3.11Å; T770-Y773 PolarHBondContact O-N 3.12Å; T770-Y773 VanDerWaalsContact O-N 3.17Å; L771-Y773 VanDerWaalsContact C-N 3.31Å; L771-Y773 PolarHBondContact O-N 3.37Å; Y773-M775 PolarHBondContact O-N 3.23Å; Y773-G776 PolarHBondContact O-N 3.4Å; Y773-G778 WeakPolarHBondContact CE1-O 3.22Å; Y773-S782 PolarHBondContact OH-OG 3.42Å; Y773-E806 HydrophobicContact CD2-CG 4.23Å; Y773-E806 HydrophobicContact CE2-CB 4.11Å; Y773-E806 HydrophobicContact CE2-CG 3.46Å; Y773-E806 VanDerWaalsContact CE2-CG 3.46Å; Y773-E806 WeakPolarHBondContact CE2-OE2 3.44Å; Y773-E806 PolarHBondContact OH-OE2 2.9Å; Y773-P807 HydrophobicContact CD1-CG 3.84Å; Y773-P807 HydrophobicContact CE1-CG 3.44Å; Y773-P807 VanDerWaalsContact CE1-CG 3.44Å |
| 774 | E | 76.5 | Confident | 72.8 | Confident | 154 Ų | 154 | 62.9 Ų | 62.9 | 72% | 0.72 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.4 | -34.1 | 176.5 | -71.9 | 177.5 | 178.8 | 0 | 0 | 112.3 | T770 L771 G776 | T770-E774 WeakPolarHBondContact O-CG 3.29Å; T770-E774 PolarHBondContact O-N 2.98Å; L771-E774 PolarHBondContact O-N 3.47Å; E774-G776 VanDerWaalsContact C-N 3.3Å; E774-G776 PolarHBondContact O-N 3.32Å |
| 775 | M | 84.5 | Confident | 73 | Confident | 144 Ų | 144 | 61.3 Ų | 61.3 | 71% | 0.709 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 3.8 | 176.6 | -65.8 | -174.9 | 77.1 | 0 | 0 | 114 | L771 C772 Y773 A777 | L771-M775 HydrophobicContact CD1-CG 4.3Å; L771-M775 HydrophobicContact CD1-SD 4.14Å; L771-M775 HydrophobicContact CD2-SD 4.48Å; L771-M775 HydrophobicContact CG-CG 4.43Å; L771-M775 HydrophobicContact CG-SD 3.98Å; L771-M775 WeakPolarHBondContact O-CB 3.48Å; L771-M775 VanDerWaalsContact O-CG 3.23Å; L771-M775 WeakPolarHBondContact O-CG 3.42Å; L771-M775 PolarHBondContact O-N 2.89Å; C772-M775 CarbonylContact O-C 3.58Å; C772-M775 PolarHBondContact O-N 3.47Å; Y773-M775 PolarHBondContact O-N 3.23Å; M775-A777 VanDerWaalsContact C-N 3.3Å; M775-A777 PolarHBondContact O-N 3.33Å |
| 776 | G | 80.9 | Confident | 72.9 | Confident | 70 Ų | 70 | 59.9 Ų | 59.9 | 72% | 0.722 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | C772 Y773 E774 G778 | C772-G776 PolarHBondContact O-N 2.89Å; Y773-G776 PolarHBondContact O-N 3.4Å; E774-G776 VanDerWaalsContact C-N 3.3Å; E774-G776 PolarHBondContact O-N 3.32Å; G776-G778 VanDerWaalsContact C-N 3.32Å |
| 777 | A | 80.1 | Confident | 72.8 | Confident | 36 Ų | 36 | 58 Ų | 58 | 30% | 0.298 | 33% | 0.327 | S | S | . | . | trans | -91.3 | 10.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | C772 M775 L779 T780 V781 | C772-A777 HydrophobicContact CB-CB 4.22Å; C772-A777 CarbonylContact O-C 3.47Å; C772-A777 WeakPolarHBondContact O-CA 3.25Å; C772-A777 PolarHBondContact O-N 2.96Å; M775-A777 VanDerWaalsContact C-N 3.3Å; M775-A777 PolarHBondContact O-N 3.33Å; A777-L779 PolarHBondContact O-N 3.4Å; A777-T780 WeakPolarHBondContact O-CB 3.26Å; A777-T780 PolarHBondContact O-N 3.1Å; A777-T780 VanDerWaalsContact O-N 3.12Å; A777-V781 PolarHBondContact O-N 2.86Å; A777-V781 VanDerWaalsContact O-N 3.16Å | ||
| 778 | G | 72.8 | Confident | 72.6 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -53.2 | -47 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | C772 Y773 G776 T780 V781 S782 | C772-G778 PolarHBondContact O-N 2.86Å; Y773-G778 WeakPolarHBondContact CE1-O 3.22Å; G776-G778 VanDerWaalsContact C-N 3.32Å; G778-T780 VanDerWaalsContact C-N 3.32Å; G778-T780 PolarHBondContact O-N 3.33Å; G778-V781 PolarHBondContact O-N 3.18Å; G778-S782 PolarHBondContact O-N 2.85Å; G778-S782 PolarHBondContact O-OG 3.44Å |
| 779 | L | 70.3 | Confident | 72.1 | Confident | 88 Ų | 88 | 55.4 Ų | 55.4 | 46% | 0.461 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 178.7 | -71.9 | 171.4 | 0 | 0 | 0 | 111.8 | A777 V781 S782 E783 R810 | A777-L779 PolarHBondContact O-N 3.4Å; L779-V781 VanDerWaalsContact C-N 3.31Å; L779-V781 PolarHBondContact O-N 3.04Å; L779-S782 PolarHBondContact O-N 2.63Å; L779-E783 WeakPolarHBondContact O-CG 3.38Å; L779-E783 PolarHBondContact O-N 2.96Å; L779-R810 HydrophobicContact CD2-CG 4.4Å |
| 780 | T | 73 | Confident | 71.1 | Confident | 73 Ų | 73 | 63.1 Ų | 63.1 | 45% | 0.448 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 178.3 | -48.6 | 0 | 0 | 0 | 0 | 111.1 | A777 G778 E783 M784 | A777-T780 WeakPolarHBondContact O-CB 3.26Å; A777-T780 PolarHBondContact O-N 3.1Å; A777-T780 VanDerWaalsContact O-N 3.12Å; G778-T780 VanDerWaalsContact C-N 3.32Å; G778-T780 PolarHBondContact O-N 3.33Å; T780-E783 PolarHBondContact O-N 3.46Å; T780-M784 HydrophobicContact CG2-CE 3.89Å; T780-M784 HydrophobicContact CG2-SD 4.41Å; T780-M784 VanDerWaalsContact O-CG 3.27Å; T780-M784 WeakPolarHBondContact O-CG 3.43Å; T780-M784 PolarHBondContact O-N 3.16Å |
| 781 | V | 74.7 | Confident | 70.2 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.03 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.2 | -41.1 | 177.9 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | I763 F768 R769 C772 A777 G778 L779 E783 M784 M785 | I763-V781 HydrophobicContact CG2-CG1 4.41Å; F768-V781 HydrophobicContact CE1-CG2 4.5Å; R769-V781 HydrophobicContact CB-CG1 4.07Å; R769-V781 HydrophobicContact CG-CG1 3.51Å; C772-V781 HydrophobicContact CB-CB 4.34Å; C772-V781 HydrophobicContact CB-CG2 3.44Å; C772-V781 VanDerWaalsContact CB-CG2 3.44Å; A777-V781 PolarHBondContact O-N 2.86Å; A777-V781 VanDerWaalsContact O-N 3.16Å; G778-V781 PolarHBondContact O-N 3.18Å; L779-V781 VanDerWaalsContact C-N 3.31Å; L779-V781 PolarHBondContact O-N 3.04Å; V781-E783 VanDerWaalsContact C-N 3.28Å; V781-E783 PolarHBondContact O-N 3.47Å; V781-M784 PolarHBondContact O-N 3.12Å; V781-M785 PolarHBondContact O-N 3.19Å |
| 782 | S | 69 | Low | 69.4 | Low | 7 Ų | 7 | 61.9 Ų | 61.9 | 5% | 0.049 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.9 | -39.7 | 172.2 | -66.7 | 0 | 0 | 0 | 0 | 112 | Y773 G778 L779 M785 S786 P807 | Y773-S782 PolarHBondContact OH-OG 3.42Å; G778-S782 PolarHBondContact O-N 2.85Å; G778-S782 PolarHBondContact O-OG 3.44Å; L779-S782 PolarHBondContact O-N 2.63Å; S782-M785 PolarHBondContact O-N 2.89Å; S782-S786 PolarHBondContact O-N 3.39Å; S782-S786 PolarHBondContact O-OG 3.5Å; S782-P807 PolarHBondContact OG-O 3.43Å |
| 783 | E | 69.7 | Low | 68.1 | Low | 90 Ų | 90 | 70.4 Ų | 70.4 | 42% | 0.421 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.8 | -41 | 175 | -72.5 | -168.2 | 155.3 | 0 | 0 | 112.7 | L779 T780 V781 M785 S786 S787 T811 | L779-E783 WeakPolarHBondContact O-CG 3.38Å; L779-E783 PolarHBondContact O-N 2.96Å; T780-E783 PolarHBondContact O-N 3.46Å; V781-E783 VanDerWaalsContact C-N 3.28Å; V781-E783 PolarHBondContact O-N 3.47Å; E783-M785 VanDerWaalsContact C-N 3.31Å; E783-M785 PolarHBondContact O-N 3.42Å; E783-S786 PolarHBondContact O-N 3.41Å; E783-S786 PolarHBondContact O-OG 3.41Å; E783-S786 VanDerWaalsContact O-OG 3.12Å; E783-S787 WeakPolarHBondContact O-CB 3.25Å; E783-S787 PolarHBondContact O-N 3.42Å; E783-S787 PolarHBondContact O-OG 3Å; E783-T811 VanDerWaalsContact CD-OG1 3.3Å; E783-T811 VanDerWaalsContact CG-OG1 3.25Å; E783-T811 WeakPolarHBondContact CG-OG1 2.91Å; E783-T811 PolarHBondContact OE1-OG1 3.33Å |
| 784 | M | 70.2 | Confident | 66.9 | Low | 95 Ų | 95 | 70.4 Ų | 70.4 | 47% | 0.468 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.3 | -37.2 | 175.7 | -71.3 | 176.3 | 171.6 | 0 | 0 | 111.5 | I763 T780 V781 S787 N788 | I763-M784 HydrophobicContact CB-CB 4.48Å; I763-M784 VanDerWaalsContact CD1-C 3.46Å; I763-M784 HydrophobicContact CD1-CB 3.92Å; I763-M784 VanDerWaalsContact CD1-O 3.23Å; I763-M784 WeakPolarHBondContact CD1-O 3.11Å; I763-M784 HydrophobicContact CG2-CB 3.78Å; I763-M784 HydrophobicContact CG2-CG 4.48Å; I763-M784 HydrophobicContact CG2-SD 3.87Å; T780-M784 HydrophobicContact CG2-CE 3.89Å; T780-M784 HydrophobicContact CG2-SD 4.41Å; T780-M784 VanDerWaalsContact O-CG 3.27Å; T780-M784 WeakPolarHBondContact O-CG 3.43Å; T780-M784 PolarHBondContact O-N 3.16Å; V781-M784 PolarHBondContact O-N 3.12Å; M784-S787 WeakPolarHBondContact CA-OG 3.34Å; M784-S787 PolarHBondContact O-OG 3.33Å; M784-S787 VanDerWaalsContact O-OG 3.12Å; M784-N788 PolarHBondContact O-N 3.34Å |
| 785 | M | 68.8 | Low | 65.4 | Low | 9 Ų | 9 | 69.4 Ų | 69.4 | 4% | 0.044 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.6 | -49 | 172.6 | -92.1 | -160.9 | 71.8 | 0 | 0 | 111.9 | I763 R769 V781 S782 E783 S787 N788 V791 M801 | I763-M785 HydrophobicContact CB-CG 4.29Å; I763-M785 HydrophobicContact CD1-CG 4.31Å; R769-M785 VanDerWaalsContact CD-SD 3.52Å; V781-M785 PolarHBondContact O-N 3.19Å; S782-M785 PolarHBondContact O-N 2.89Å; E783-M785 VanDerWaalsContact C-N 3.31Å; E783-M785 PolarHBondContact O-N 3.42Å; M785-S787 PolarHBondContact O-N 3.07Å; M785-N788 PolarHBondContact O-N 2.91Å; M785-V791 WeakPolarHBondContact O-CG2 3.34Å; M785-M801 HydrophobicContact CE-CB 4.23Å; M785-M801 HydrophobicContact CE-CG 3.74Å |
| 786 | S | 65.2 | Low | 63.4 | Low | 13 Ų | 13 | 68.2 Ų | 68.2 | 9% | 0.091 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.5 | -24.9 | -178 | 70.8 | 0 | 0 | 0 | 0 | 113.1 | S782 E783 W792 | S782-S786 PolarHBondContact O-N 3.39Å; S782-S786 PolarHBondContact O-OG 3.5Å; E783-S786 PolarHBondContact O-N 3.41Å; E783-S786 PolarHBondContact O-OG 3.41Å; E783-S786 VanDerWaalsContact O-OG 3.12Å; S786-W792 PolarHBondContact O-NE1 2.99Å |
| 787 | S | 63.8 | Low | 61.9 | Low | 43 Ų | 43 | 65.6 Ų | 65.6 | 30% | 0.301 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -87.2 | -10.2 | 177.7 | 55.8 | 0 | 0 | 0 | 0 | 114.7 | E783 M784 M785 P789 | E783-S787 WeakPolarHBondContact O-CB 3.25Å; E783-S787 PolarHBondContact O-N 3.42Å; E783-S787 PolarHBondContact O-OG 3Å; M784-S787 WeakPolarHBondContact CA-OG 3.34Å; M784-S787 PolarHBondContact O-OG 3.33Å; M784-S787 VanDerWaalsContact O-OG 3.12Å; M785-S787 PolarHBondContact O-N 3.07Å; S787-P789 WeakPolarHBondContact O-CD 3.49Å |
| 788 | N | 61.3 | Low | 60.3 | Low | 34 Ų | 34 | 71.9 Ų | 71.9 | 18% | 0.182 | 36% | 0.36 | C | S | . | . | trans | -77.7 | 112.7 | 177.5 | -175.9 | -11.5 | 0 | 0 | 0 | 110.1 | I763 M784 M785 Q790 V791 | I763-N788 HydrophobicContact CD1-CB 4.4Å; M784-N788 PolarHBondContact O-N 3.34Å; M785-N788 PolarHBondContact O-N 2.91Å; N788-Q790 PolarHBondContact O-N 3.3Å; N788-Q790 VanDerWaalsContact O-N 3.1Å; N788-Q790 WeakPolarHBondContact OD1-CB 3.25Å; N788-Q790 PolarHBondContact OD1-N 2.63Å; N788-V791 HydrophobicContact CB-CG2 3.91Å; N788-V791 WeakPolarHBondContact O-CG2 3.16Å; N788-V791 PolarHBondContact O-N 3.35Å; N788-V791 VanDerWaalsContact O-N 3.13Å | ||
| 789 | P | 59.1 | Low | 58.9 | Low | 83 Ų | 83 | 78.1 Ų | 78.1 | 54% | 0.539 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -62.2 | -24.7 | -176.7 | -19.5 | 32.4 | 0 | 0 | 0 | 113.1 | S787 V791 W792 | S787-P789 WeakPolarHBondContact O-CD 3.49Å; P789-V791 PolarHBondContact O-N 3.41Å; P789-V791 VanDerWaalsContact O-N 3.16Å; P789-W792 HydrophobicContact CB-CE3 4.46Å; P789-W792 WeakPolarHBondContact O-CB 3.37Å; P789-W792 PolarHBondContact O-N 3.43Å; P789-W792 VanDerWaalsContact O-N 3.11Å |
| 790 | Q | 53.4 | Low | 57.8 | Low | 170 Ų | 170 | 77 Ų | 77 | 79% | 0.794 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -64.3 | -18 | 179.6 | -63 | -179.1 | -28.7 | 0 | 0 | 113.2 | N788 | N788-Q790 PolarHBondContact O-N 3.3Å; N788-Q790 VanDerWaalsContact O-N 3.1Å; N788-Q790 WeakPolarHBondContact OD1-CB 3.25Å; N788-Q790 PolarHBondContact OD1-N 2.63Å |
| 791 | V | 52.9 | Low | 56.8 | Low | 17 Ų | 17 | 75 Ų | 75 | 10% | 0.103 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -96.4 | -0.2 | 176.5 | -83.4 | 0 | 0 | 0 | 0 | 113.8 | M785 N788 P789 S797 | M785-V791 WeakPolarHBondContact O-CG2 3.34Å; N788-V791 HydrophobicContact CB-CG2 3.91Å; N788-V791 WeakPolarHBondContact O-CG2 3.16Å; N788-V791 PolarHBondContact O-N 3.35Å; N788-V791 VanDerWaalsContact O-N 3.13Å; P789-V791 PolarHBondContact O-N 3.41Å; P789-V791 VanDerWaalsContact O-N 3.16Å; V791-S797 WeakPolarHBondContact O-CB 3.39Å |
| 792 | W | 57.7 | Low | 55.6 | Low | 103 Ų | 103 | 78.9 Ų | 78.9 | 39% | 0.39 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -80 | -28.5 | -175.3 | -66.1 | -1.5 | 0 | 0 | 0 | 114.2 | S786 P789 A815 | S786-W792 PolarHBondContact O-NE1 2.99Å; P789-W792 HydrophobicContact CB-CE3 4.46Å; P789-W792 WeakPolarHBondContact O-CB 3.37Å; P789-W792 PolarHBondContact O-N 3.43Å; P789-W792 VanDerWaalsContact O-N 3.11Å; W792-A815 HydrophobicContact CH2-CB 3.72Å; W792-A815 HydrophobicContact CZ3-CB 4.07Å |
| 793 | E | 50.4 | Low | 54.9 | Low | 193 Ų | 193 | 80.8 Ų | 80.8 | 90% | 0.902 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -96.8 | 2.9 | -165.3 | -63.8 | -170.6 | 168.7 | 0 | 0 | 115.8 | ||
| 794 | S | 49.8 | Very low | 54.4 | Low | 47 Ų | 47 | 84.6 Ų | 84.6 | 33% | 0.329 | 42% | 0.42 | S | S | . | . | trans | -124.3 | 133.8 | 175.8 | 103.8 | 0 | 0 | 0 | 0 | 112.9 | K796 S797 R798 | S794-K796 PolarHBondContact O-N 3.24Å; S794-K796 PolarHBondContact OG-N 3.08Å; S794-S797 WeakPolarHBondContact O-CA 3.45Å; S794-S797 VanDerWaalsContact O-CB 3.28Å; S794-S797 WeakPolarHBondContact O-CB 3.39Å; S794-S797 PolarHBondContact O-N 3.41Å; S794-S797 WeakPolarHBondContact OG-CB 3.36Å; S794-S797 PolarHBondContact OG-N 3.24Å; S794-S797 PolarHBondContact OG-OG 3.42Å; S794-R798 PolarHBondContact O-N 2.85Å | ||
| 795 | D | 46.8 | Very low | 53.9 | Low | 133 Ų | 133 | 87.2 Ų | 87.2 | 71% | 0.711 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -55.6 | -33 | 173.5 | -80.7 | -32.6 | 0 | 0 | 0 | 111.7 | S797 R798 L799 | D795-S797 VanDerWaalsContact C-N 3.34Å; D795-S797 PolarHBondContact O-N 2.77Å; D795-R798 PolarHBondContact O-N 2.76Å; D795-L799 PolarHBondContact O-N 3.48Å |
| 796 | K | 41.9 | Very low | 53.4 | Low | 119 Ų | 119 | 87.8 Ų | 87.8 | 52% | 0.517 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.4 | -35.4 | 175 | -138.6 | 174.5 | -173.6 | 175.8 | 0 | 112 | S794 L799 R800 | S794-K796 PolarHBondContact O-N 3.24Å; S794-K796 PolarHBondContact OG-N 3.08Å; K796-L799 PolarHBondContact O-N 3.31Å; K796-R800 WeakPolarHBondContact O-CG 2.93Å; K796-R800 PolarHBondContact O-N 3.03Å; K796-R800 VanDerWaalsContact O-N 3.15Å |
| 797 | S | 49 | Very low | 53 | Low | 15 Ų | 15 | 89.7 Ų | 89.7 | 11% | 0.105 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -68.7 | -37.8 | 177.6 | -60 | 0 | 0 | 0 | 0 | 111.8 | V791 S794 D795 L799 R800 M801 | V791-S797 WeakPolarHBondContact O-CB 3.39Å; S794-S797 WeakPolarHBondContact O-CA 3.45Å; S794-S797 VanDerWaalsContact O-CB 3.28Å; S794-S797 WeakPolarHBondContact O-CB 3.39Å; S794-S797 PolarHBondContact O-N 3.41Å; S794-S797 WeakPolarHBondContact OG-CB 3.36Å; S794-S797 PolarHBondContact OG-N 3.24Å; S794-S797 PolarHBondContact OG-OG 3.42Å; D795-S797 VanDerWaalsContact C-N 3.34Å; D795-S797 PolarHBondContact O-N 2.77Å; S797-L799 VanDerWaalsContact C-N 3.31Å; S797-L799 PolarHBondContact O-N 3.16Å; S797-R800 PolarHBondContact O-N 3.24Å; S797-M801 VanDerWaalsContact O-CG 3.25Å; S797-M801 WeakPolarHBondContact O-CG 3.49Å; S797-M801 PolarHBondContact O-N 2.92Å |
| 798 | R | 46.5 | Very low | 52.7 | Low | 167 Ų | 167 | 89.6 Ų | 89.6 | 63% | 0.63 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.4 | -37.7 | 174.9 | -68.5 | 178.4 | 74.1 | -175.1 | 5.1 | 112.3 | S794 D795 M801 | S794-R798 PolarHBondContact O-N 2.85Å; D795-R798 PolarHBondContact O-N 2.76Å; R798-M801 PolarHBondContact O-N 3.18Å |
| 799 | L | 44 | Very low | 52.4 | Low | 136 Ų | 136 | 90.7 Ų | 90.7 | 71% | 0.712 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -72 | -31.1 | 176.8 | -70.1 | 169.4 | 0 | 0 | 0 | 112.8 | D795 K796 S797 M801 V802 | D795-L799 PolarHBondContact O-N 3.48Å; K796-L799 PolarHBondContact O-N 3.31Å; S797-L799 VanDerWaalsContact C-N 3.31Å; S797-L799 PolarHBondContact O-N 3.16Å; L799-M801 VanDerWaalsContact C-N 3.27Å; L799-M801 PolarHBondContact O-N 3.41Å; L799-V802 PolarHBondContact O-N 2.86Å |
| 800 | R | 46.6 | Very low | 52.4 | Low | 66 Ų | 66 | 96.6 Ų | 96.6 | 25% | 0.249 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -71.5 | -16.3 | 174.3 | -74.8 | 176.6 | 167.5 | -175.6 | -9.7 | 114.1 | A738 F741 K796 S797 V802 | A738-R800 PolarHBondContact O-NH2 3.03Å; F741-R800 PolarHBondContact O-NH2 2.96Å; F741-R800 VanDerWaalsContact O-NH2 3.12Å; K796-R800 WeakPolarHBondContact O-CG 2.93Å; K796-R800 PolarHBondContact O-N 3.03Å; K796-R800 VanDerWaalsContact O-N 3.15Å; S797-R800 PolarHBondContact O-N 3.24Å; R800-V802 VanDerWaalsContact C-N 3.32Å |
| 801 | M | 51.5 | Low | 52.4 | Low | 31 Ų | 31 | 91.4 Ų | 91.4 | 15% | 0.153 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -11.2 | 177.4 | -54.6 | -149.9 | -84.3 | 0 | 0 | 113.8 | M785 S797 R798 L799 I809 | M785-M801 HydrophobicContact CE-CB 4.23Å; M785-M801 HydrophobicContact CE-CG 3.74Å; S797-M801 VanDerWaalsContact O-CG 3.25Å; S797-M801 WeakPolarHBondContact O-CG 3.49Å; S797-M801 PolarHBondContact O-N 2.92Å; R798-M801 PolarHBondContact O-N 3.18Å; L799-M801 VanDerWaalsContact C-N 3.27Å; L799-M801 PolarHBondContact O-N 3.41Å; M801-I809 HydrophobicContact CB-CD1 4.09Å; M801-I809 HydrophobicContact CE-CD1 3.7Å; M801-I809 HydrophobicContact SD-CD1 3.71Å |
| 802 | V | 49.1 | Very low | 52.5 | Low | 85 Ų | 85 | 96.7 Ų | 96.7 | 52% | 0.515 | 49% | 0.485 | S | S | . | . | trans | -140.4 | 81.8 | -171.5 | -166.8 | 0 | 0 | 0 | 0 | 109.9 | L799 R800 | L799-V802 PolarHBondContact O-N 2.86Å; R800-V802 VanDerWaalsContact C-N 3.32Å | ||
| 803 | H | 54.9 | Low | 52.3 | Low | 47 Ų | 47 | 98 Ų | 98 | 22% | 0.218 | 50% | 0.496 | C | S | . | . | trans | -76.2 | 150.7 | 161.1 | -73.5 | -70.6 | 0 | 0 | 0 | 109.6 | D805 E806 | H803-D805 PolarHBondContact O-N 3.33Å; H803-E806 HydrophobicContact CB-CG 4.09Å; H803-E806 IonicContact CD2-OE1 3.16Å; H803-E806 PolarHBondContact O-N 3.28Å | ||
| 804 | I | 59.5 | Low | 52.6 | Low | 171 Ų | 171 | 93.9 Ų | 93.9 | 88% | 0.877 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -27.8 | -171.6 | -71.9 | 170.9 | 0 | 0 | 0 | 113.3 | ||
| 805 | D | 59.3 | Low | 52.7 | Low | 150 Ų | 150 | 95 Ų | 95 | 80% | 0.802 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 0.8 | -176.5 | -53.4 | -47.9 | 0 | 0 | 0 | 114.4 | H803 | H803-D805 PolarHBondContact O-N 3.33Š|
| 806 | E | 59.5 | Low | 53.3 | Low | 20 Ų | 20 | 90.8 Ų | 90.8 | 9% | 0.093 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -92.8 | 131.6 | -179.9 | -66.9 | -169.9 | -155.5 | 0 | 0 | 111 | R769 Y773 H803 G808 | R769-E806 IonicContact CZ-OE1 3.08Å; R769-E806 IonicContact NE-OE1 3.78Å; R769-E806 PolarHBondContact NE-OE1 3.41Å; R769-E806 IonicContact NE-OE2 2.91Å; R769-E806 PolarHBondContact NE-OE2 2.62Å; R769-E806 IonicContact NH2-OE1 3.26Å; R769-E806 PolarHBondContact NH2-OE1 3.02Å; Y773-E806 HydrophobicContact CD2-CG 4.23Å; Y773-E806 HydrophobicContact CE2-CB 4.11Å; Y773-E806 HydrophobicContact CE2-CG 3.46Å; Y773-E806 VanDerWaalsContact CE2-CG 3.46Å; Y773-E806 WeakPolarHBondContact CE2-OE2 3.44Å; Y773-E806 PolarHBondContact OH-OE2 2.9Å; H803-E806 HydrophobicContact CB-CG 4.09Å; H803-E806 IonicContact CD2-OE1 3.16Å; H803-E806 PolarHBondContact O-N 3.28Å; E806-G808 PolarHBondContact O-N 2.81Å |
| 807 | P | 55.7 | Low | 54.5 | Low | 53 Ų | 53 | 91.2 Ų | 91.2 | 34% | 0.344 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 124.4 | 175.8 | 23.6 | -32.6 | 0 | 0 | 0 | 110.9 | Y773 S782 | Y773-P807 HydrophobicContact CD1-CG 3.84Å; Y773-P807 HydrophobicContact CE1-CG 3.44Å; Y773-P807 VanDerWaalsContact CE1-CG 3.44Å; S782-P807 PolarHBondContact OG-O 3.43Å |
| 808 | G | 57.1 | Low | 55.5 | Low | 41 Ų | 41 | 93.8 Ų | 93.8 | 42% | 0.423 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 150.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E806 R810 | E806-G808 PolarHBondContact O-N 2.81Å; G808-R810 PolarHBondContact O-N 3.17Å |
| 809 | I | 56.4 | Low | 56.6 | Low | 58 Ų | 58 | 90.6 Ų | 90.6 | 30% | 0.297 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 120.2 | 179 | -59.7 | 165.8 | 0 | 0 | 0 | 109.8 | M801 T811 | M801-I809 HydrophobicContact CB-CD1 4.09Å; M801-I809 HydrophobicContact CE-CD1 3.7Å; M801-I809 HydrophobicContact SD-CD1 3.71Å; I809-T811 WeakPolarHBondContact CG2-O 3.23Å |
| 810 | R | 57.9 | Low | 58 | Low | 207 Ų | 207 | 92.6 Ų | 92.6 | 78% | 0.781 | 51% | 0.514 | S | S | * | . | trans | -96.6 | -13.6 | -179.8 | -67.5 | -167 | 178.9 | -163.7 | 0.6 | 114.2 | L779 G808 | L779-R810 HydrophobicContact CD2-CG 4.4Å; G808-R810 PolarHBondContact O-N 3.17Å | ||
| 811 | T | 53.3 | Low | 58.7 | Low | 61 Ų | 61 | 97.1 Ų | 97.1 | 37% | 0.374 | 54% | 0.537 | S | S | . | . | trans | -134.2 | 124.9 | -174.6 | 36.8 | 0 | 0 | 0 | 0 | 109 | E783 I809 | E783-T811 VanDerWaalsContact CD-OG1 3.3Å; E783-T811 VanDerWaalsContact CG-OG1 3.25Å; E783-T811 WeakPolarHBondContact CG-OG1 2.91Å; E783-T811 PolarHBondContact OE1-OG1 3.33Å; I809-T811 WeakPolarHBondContact CG2-O 3.23Å | ||
| 812 | V | 54.5 | Low | 58.8 | Low | 127 Ų | 127 | 99.2 Ų | 99.2 | 77% | 0.77 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -102.1 | 116.1 | 175 | 177.3 | 0 | 0 | 0 | 0 | 106.8 | I814 | V812-I814 HydrophobicContact CG1-CG1 4.45Š|
| 813 | Q | 53.8 | Low | 59.5 | Low | 132 Ų | 132 | 101.6 Ų | 101.6 | 62% | 0.617 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 119.6 | 168.6 | -88.8 | -172.5 | -19.4 | 0 | 0 | 109.2 | ||
| 814 | I | 56.5 | Low | 59.7 | Low | 106 Ų | 106 | 104.4 Ų | 104.4 | 54% | 0.544 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -89.2 | 116.9 | 172.9 | -54.9 | 176 | 0 | 0 | 0 | 106.9 | V812 M822 | V812-I814 HydrophobicContact CG1-CG1 4.45Å; I814-M822 HydrophobicContact CG2-CB 3.89Å; I814-M822 HydrophobicContact CG2-CE 4.16Å; I814-M822 HydrophobicContact CG2-CG 3.97Å; I814-M822 WeakPolarHBondContact O-CE 3.44Å |
| 815 | A | 53.8 | Low | 59.7 | Low | 69 Ų | 69 | 100.8 Ų | 100.8 | 57% | 0.57 | 58% | 0.58 | S | S | * | * | trans | -123.6 | 129.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | W792 | W792-A815 HydrophobicContact CH2-CB 3.72Å; W792-A815 HydrophobicContact CZ3-CB 4.07Å | ||
| 816 | G | 58.6 | Low | 59.7 | Low | 45 Ų | 45 | 98.1 Ų | 98.1 | 46% | 0.464 | 57% | 0.567 | S | S | . | * | trans | -168.4 | 163 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 817 | S | 66.1 | Low | 59.7 | Low | 128 Ų | 128 | 102.7 Ų | 102.7 | 90% | 0.895 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -97.1 | -17.2 | 173.7 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | P819 | S817-P819 WeakPolarHBondContact O-CD 3.36Š|
| 818 | D | 70 | Confident | 60 | Low | 70 Ų | 70 | 105.8 Ų | 105.8 | 37% | 0.374 | 61% | 0.611 | S | S | . | * | trans | -94.4 | 113.7 | 177.2 | -172.1 | -13.3 | 0 | 0 | 0 | 110.3 | K820 E821 M822 | D818-K820 PolarHBondContact O-N 3.24Å; D818-K820 VanDerWaalsContact O-N 3.09Å; D818-K820 WeakPolarHBondContact OD1-CB 3.45Å; D818-K820 PolarHBondContact OD1-N 3.36Å; D818-E821 HydrophobicContact CB-CB 4.31Å; D818-E821 HydrophobicContact CB-CG 4.36Å; D818-E821 PolarHBondContact O-N 3.03Å; D818-E821 VanDerWaalsContact O-N 3.13Å; D818-M822 WeakPolarHBondContact O-CG 3.36Å; D818-M822 PolarHBondContact O-N 3.44Å; D818-M822 VanDerWaalsContact O-N 3.15Å | ||
| 819 | P | 71.3 | Confident | 60.2 | Low | 100 Ų | 100 | 110.1 Ų | 110.1 | 65% | 0.649 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -57.2 | -23.5 | 176.8 | -23.2 | 33.3 | 0 | 0 | 0 | 114.4 | S817 A823 | S817-P819 WeakPolarHBondContact O-CD 3.36Å; P819-A823 WeakPolarHBondContact O-CB 3.41Å; P819-A823 PolarHBondContact O-N 2.93Å |
| 820 | K | 72.1 | Confident | 60.5 | Low | 178 Ų | 178 | 113.9 Ų | 113.9 | 77% | 0.774 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -80.6 | -28.7 | 177.8 | -75.3 | -175.4 | 177.1 | 179 | 0 | 114 | D818 | D818-K820 PolarHBondContact O-N 3.24Å; D818-K820 VanDerWaalsContact O-N 3.09Å; D818-K820 WeakPolarHBondContact OD1-CB 3.45Å; D818-K820 PolarHBondContact OD1-N 3.36Å |
| 821 | E | 62.4 | Low | 60.7 | Low | 161 Ų | 161 | 106.7 Ų | 106.7 | 75% | 0.752 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -80.5 | -29 | 173.2 | -75.6 | -173.7 | 155 | 0 | 0 | 111.3 | D818 | D818-E821 HydrophobicContact CB-CB 4.31Å; D818-E821 HydrophobicContact CB-CG 4.36Å; D818-E821 PolarHBondContact O-N 3.03Å; D818-E821 VanDerWaalsContact O-N 3.13Å |
| 822 | M | 53.5 | Low | 61.3 | Low | 74 Ų | 74 | 110.5 Ų | 110.5 | 37% | 0.365 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -75.5 | -25.7 | 177.1 | -68 | -172.5 | 72.7 | 0 | 0 | 114.1 | I814 D818 | I814-M822 HydrophobicContact CG2-CB 3.89Å; I814-M822 HydrophobicContact CG2-CE 4.16Å; I814-M822 HydrophobicContact CG2-CG 3.97Å; I814-M822 WeakPolarHBondContact O-CE 3.44Å; D818-M822 WeakPolarHBondContact O-CG 3.36Å; D818-M822 PolarHBondContact O-N 3.44Å; D818-M822 VanDerWaalsContact O-N 3.15Å |
| 823 | A | 62.5 | Low | 61.9 | Low | 136 Ų | 136 | 109 Ų | 109 | 100% | 1.124 | 65% | 0.648 | S | S | * | * | trans | -89.6 | 0 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | P819 | P819-A823 WeakPolarHBondContact O-CB 3.41Å; P819-A823 PolarHBondContact O-N 2.93Å |
Retrieved 823 of 823 residues in 1965.5 ms
(Link to these results)