| 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 | 33.8 | Very low | 61 | Low | 241 Ų | 241 | 116.2 Ų | 116.2 | 100% | 1.187 | 65% | 0.647 | S | S | * | * | 0 | 106.3 | 0 | -75.8 | -169.6 | 161 | 0 | 0 | 107.7 | T3 | M1-T3 PolarHBondContact O-N 3.34Š| |||
| 2 | A | 36 | Very low | 63.3 | Low | 102 Ų | 102 | 114.5 Ų | 114.5 | 84% | 0.843 | 64% | 0.635 | S | S | * | * | trans | -72.7 | 116.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | P4 | A2-P4 VanDerWaalsContact O-CD 3.3Å; A2-P4 WeakPolarHBondContact O-CD 3.33Å | ||
| 3 | T | 37.9 | Very low | 65.3 | Low | 132 Ų | 132 | 107.3 Ų | 107.3 | 81% | 0.81 | 60% | 0.595 | S | S | * | * | trans | -61 | 114 | 168.9 | 46.6 | 0 | 0 | 0 | 0 | 107.2 | M1 D5 | M1-T3 PolarHBondContact O-N 3.34Å; T3-D5 PolarHBondContact O-N 3.29Å | ||
| 4 | P | 48 | Very low | 66.9 | Low | 94 Ų | 94 | 102.9 Ų | 102.9 | 61% | 0.61 | 57% | 0.567 | S | S | * | * | trans | -60.9 | 128.2 | 179 | 25.1 | -31.4 | 0 | 0 | 0 | 107.5 | A2 Q6 V11 | A2-P4 VanDerWaalsContact O-CD 3.3Å; A2-P4 WeakPolarHBondContact O-CD 3.33Å; P4-Q6 PolarHBondContact O-N 3.31Å; P4-V11 HydrophobicContact CB-CG2 4.35Å | ||
| 5 | D | 49.3 | Very low | 68.4 | Low | 123 Ų | 123 | 100.7 Ų | 100.7 | 66% | 0.658 | 55% | 0.554 | S | S | * | * | trans | -51.5 | 108.5 | 176.7 | -133.5 | -31.6 | 0 | 0 | 0 | 107.5 | T3 K7 S8 | T3-D5 PolarHBondContact O-N 3.29Å; D5-K7 PolarHBondContact O-N 3.29Å; D5-S8 PolarHBondContact O-N 2.99Å; D5-S8 PolarHBondContact O-OG 3.17Å | ||
| 6 | Q | 57.1 | Low | 69.8 | Low | 171 Ų | 171 | 100.3 Ų | 100.3 | 80% | 0.799 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -2.7 | -176.5 | -77.7 | -178.9 | -10.8 | 0 | 0 | 112.8 | P4 | P4-Q6 PolarHBondContact O-N 3.31Š|
| 7 | K | 66.1 | Low | 70.9 | Confident | 179 Ų | 179 | 95.2 Ų | 95.2 | 78% | 0.778 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 1 | -178.4 | -61.3 | 174.5 | -177.4 | 172.3 | 0 | 113.4 | D5 | D5-K7 PolarHBondContact O-N 3.29Š|
| 8 | S | 84.7 | Confident | 72 | Confident | 34 Ų | 34 | 91.2 Ų | 91.2 | 24% | 0.238 | 50% | 0.503 | C | S | . | . | trans | -69.6 | 139.6 | 178.4 | 75 | 0 | 0 | 0 | 0 | 110.8 | D5 N10 V11 L12 | D5-S8 PolarHBondContact O-N 2.99Å; D5-S8 PolarHBondContact O-OG 3.17Å; S8-N10 PolarHBondContact O-N 3.2Å; S8-V11 PolarHBondContact O-N 2.79Å; S8-V11 VanDerWaalsContact O-N 3.16Å; S8-V11 WeakPolarHBondContact OG-CB 3.42Å; S8-V11 WeakPolarHBondContact OG-CG2 3.3Å; S8-V11 PolarHBondContact OG-N 2.95Å; S8-L12 PolarHBondContact O-N 2.88Å; S8-L12 VanDerWaalsContact O-N 3.12Å | ||
| 9 | P | 84.5 | Confident | 73 | Confident | 78 Ų | 78 | 97.8 Ų | 97.8 | 51% | 0.506 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.6 | -29.2 | -177.7 | 23.1 | -33.1 | 0 | 0 | 0 | 112.4 | L13 | P9-L13 VanDerWaalsContact O-CB 3.32Å; P9-L13 WeakPolarHBondContact O-CB 3.21Å; P9-L13 PolarHBondContact O-N 3.45Å |
| 10 | N | 85.1 | Confident | 73.8 | Confident | 91 Ų | 91 | 99.2 Ų | 99.2 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.4 | -41.4 | 177.8 | -65.8 | -29 | 0 | 0 | 0 | 112.3 | S8 L13 Q14 F32 | S8-N10 PolarHBondContact O-N 3.2Å; N10-L13 WeakPolarHBondContact O-CB 3.37Å; N10-L13 PolarHBondContact O-N 3.21Å; N10-Q14 PolarHBondContact O-N 2.85Å; N10-F32 HydrophobicContact CB-CZ 4.47Å; N10-F32 VanDerWaalsContact O-CE2 3.29Å; N10-F32 WeakPolarHBondContact O-CE2 3.18Å |
| 11 | V | 88.1 | Confident | 74.5 | Confident | 33 Ų | 33 | 98.2 Ų | 98.2 | 20% | 0.2 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -66.8 | -39.7 | 175.6 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | P4 S8 L13 Q14 N15 | P4-V11 HydrophobicContact CB-CG2 4.35Å; S8-V11 PolarHBondContact O-N 2.79Å; S8-V11 VanDerWaalsContact O-N 3.16Å; S8-V11 WeakPolarHBondContact OG-CB 3.42Å; S8-V11 WeakPolarHBondContact OG-CG2 3.3Å; S8-V11 PolarHBondContact OG-N 2.95Å; V11-L13 VanDerWaalsContact C-N 3.31Å; V11-L13 PolarHBondContact O-N 2.76Å; V11-Q14 PolarHBondContact O-N 2.94Å; V11-N15 PolarHBondContact O-N 2.86Å; V11-N15 PolarHBondContact O-ND2 2.69Å |
| 12 | L | 89.5 | Confident | 77.2 | Confident | 96 Ų | 96 | 90.1 Ų | 90.1 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.9 | -36.5 | 174.5 | -66.9 | 175.6 | 0 | 0 | 0 | 112.5 | S8 N15 L16 | S8-L12 PolarHBondContact O-N 2.88Å; S8-L12 VanDerWaalsContact O-N 3.12Å; L12-N15 PolarHBondContact O-N 3.39Å; L12-L16 PolarHBondContact O-N 3.45Å |
| 13 | L | 89.4 | Confident | 79.7 | Confident | 21 Ų | 21 | 93 Ų | 93 | 11% | 0.11 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -67.7 | -41.1 | 176.4 | -168.9 | 77.5 | 0 | 0 | 0 | 111.9 | P9 N10 V11 N15 L16 C17 F32 A35 V36 I39 | P9-L13 VanDerWaalsContact O-CB 3.32Å; P9-L13 WeakPolarHBondContact O-CB 3.21Å; P9-L13 PolarHBondContact O-N 3.45Å; N10-L13 WeakPolarHBondContact O-CB 3.37Å; N10-L13 PolarHBondContact O-N 3.21Å; V11-L13 VanDerWaalsContact C-N 3.31Å; V11-L13 PolarHBondContact O-N 2.76Å; L13-N15 VanDerWaalsContact C-N 3.35Å; L13-L16 WeakPolarHBondContact O-CB 3.41Å; L13-L16 PolarHBondContact O-N 3.26Å; L13-C17 PolarHBondContact O-N 3.23Å; L13-C17 PolarHBondContact O-SG 3.38Å; L13-C17 VanDerWaalsContact O-SG 3.37Å; L13-F32 HydrophobicContact CB-CE2 4.12Å; L13-F32 HydrophobicContact CD2-CD2 4.15Å; L13-F32 HydrophobicContact CD2-CE2 3.98Å; L13-F32 HydrophobicContact CG-CD2 4.37Å; L13-F32 HydrophobicContact CG-CE2 4.32Å; L13-A35 HydrophobicContact CD1-CB 4.33Å; L13-A35 HydrophobicContact CD2-CB 3.73Å; L13-A35 HydrophobicContact CG-CB 4.16Å; L13-V36 HydrophobicContact CD2-CB 4.48Å; L13-V36 HydrophobicContact CD2-CG2 3.65Å; L13-I39 HydrophobicContact CD1-CD1 3.23Å; L13-I39 HydrophobicContact CD2-CD1 4.21Å; L13-I39 HydrophobicContact CG-CD1 4.35Å |
| 14 | Q | 87.7 | Confident | 82 | Confident | 45 Ų | 45 | 90.2 Ų | 90.2 | 21% | 0.21 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 174.6 | -168.5 | -179 | 9.9 | 0 | 0 | 110.9 | N10 V11 L16 C17 C18 E25 F32 | N10-Q14 PolarHBondContact O-N 2.85Å; V11-Q14 PolarHBondContact O-N 2.94Å; Q14-L16 VanDerWaalsContact C-N 3.29Å; Q14-L16 PolarHBondContact O-N 3.15Å; Q14-C17 WeakPolarHBondContact O-CB 3.35Å; Q14-C17 PolarHBondContact O-N 2.94Å; Q14-C17 VanDerWaalsContact O-N 3.15Å; Q14-C18 PolarHBondContact O-N 3.47Å; Q14-C18 PolarHBondContact O-SG 2.98Å; Q14-E25 HydrophobicContact CG-CG 4.4Å; Q14-E25 PolarHBondContact NE2-OE2 3.01Å; Q14-F32 HydrophobicContact CB-CD2 3.86Å; Q14-F32 HydrophobicContact CB-CE2 3.75Å; Q14-F32 HydrophobicContact CB-CZ 4.37Å; Q14-F32 HydrophobicContact CG-CD2 4.32Å |
| 15 | N | 89.3 | Confident | 83.6 | Confident | 70 Ų | 70 | 90.6 Ų | 90.6 | 37% | 0.374 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.1 | -41.1 | 173.8 | -73.6 | -29.5 | 0 | 0 | 0 | 112.1 | V11 L12 L13 C18 R19 | V11-N15 PolarHBondContact O-N 2.86Å; V11-N15 PolarHBondContact O-ND2 2.69Å; L12-N15 PolarHBondContact O-N 3.39Å; L13-N15 VanDerWaalsContact C-N 3.35Å; N15-C18 PolarHBondContact O-N 3.05Å; N15-R19 WeakPolarHBondContact O-CB 3.42Å; N15-R19 WeakPolarHBondContact O-CG 3.34Å; N15-R19 PolarHBondContact O-N 3.15Å |
| 16 | L | 90.6 | Very high | 85.2 | Confident | 94 Ų | 94 | 88.5 Ų | 88.5 | 49% | 0.492 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62 | -45 | 175.9 | -176.3 | 65.8 | 0 | 0 | 0 | 111.5 | L12 L13 Q14 C18 R19 I20 | L12-L16 PolarHBondContact O-N 3.45Å; L13-L16 WeakPolarHBondContact O-CB 3.41Å; L13-L16 PolarHBondContact O-N 3.26Å; Q14-L16 VanDerWaalsContact C-N 3.29Å; Q14-L16 PolarHBondContact O-N 3.15Å; L16-C18 PolarHBondContact O-N 3.31Å; L16-R19 PolarHBondContact O-N 3.47Å; L16-I20 HydrophobicContact CD1-CD1 3.85Å; L16-I20 HydrophobicContact CD1-CG1 4.18Å; L16-I20 HydrophobicContact CD2-CD1 4.44Å; L16-I20 HydrophobicContact CG-CD1 3.79Å; L16-I20 HydrophobicContact CG-CG1 4.42Å; L16-I20 WeakPolarHBondContact O-CG1 3.46Å; L16-I20 PolarHBondContact O-N 2.99Å |
| 17 | C | 88.8 | Confident | 86.5 | Confident | 15 Ų | 15 | 85.6 Ų | 85.6 | 10% | 0.101 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -59.5 | -44.9 | 176 | -67.3 | 0 | 0 | 0 | 0 | 111.9 | L13 Q14 R19 L21 V28 | L13-C17 PolarHBondContact O-N 3.23Å; L13-C17 PolarHBondContact O-SG 3.38Å; L13-C17 VanDerWaalsContact O-SG 3.37Å; Q14-C17 WeakPolarHBondContact O-CB 3.35Å; Q14-C17 PolarHBondContact O-N 2.94Å; Q14-C17 VanDerWaalsContact O-N 3.15Å; C17-R19 VanDerWaalsContact C-N 3.35Å; C17-R19 PolarHBondContact O-N 3.38Å; C17-L21 WeakPolarHBondContact O-CB 3.41Å; C17-L21 WeakPolarHBondContact O-CG 3.46Å; C17-L21 PolarHBondContact O-N 2.8Å; C17-V28 HydrophobicContact CB-CB 4.2Å; C17-V28 HydrophobicContact CB-CG2 4.22Å |
| 18 | C | 89.9 | Confident | 87.6 | Confident | 23 Ų | 23 | 77.1 Ų | 77.1 | 16% | 0.155 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 176.2 | -63 | 0 | 0 | 0 | 0 | 111.9 | Q14 N15 L16 G22 | Q14-C18 PolarHBondContact O-N 3.47Å; Q14-C18 PolarHBondContact O-SG 2.98Å; N15-C18 PolarHBondContact O-N 3.05Å; L16-C18 PolarHBondContact O-N 3.31Å; C18-G22 WeakPolarHBondContact O-CA 3.42Å; C18-G22 PolarHBondContact O-N 3.2Å |
| 19 | R | 91.2 | Very high | 87.7 | Confident | 216 Ų | 216 | 77.6 Ų | 77.6 | 82% | 0.815 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -71.3 | -36.8 | -178.5 | -69.7 | -72.2 | -75.4 | 157.3 | -4.6 | 113.3 | N15 L16 C17 | N15-R19 WeakPolarHBondContact O-CB 3.42Å; N15-R19 WeakPolarHBondContact O-CG 3.34Å; N15-R19 PolarHBondContact O-N 3.15Å; L16-R19 PolarHBondContact O-N 3.47Å; C17-R19 VanDerWaalsContact C-N 3.35Å; C17-R19 PolarHBondContact O-N 3.38Å |
| 20 | I | 89.9 | Confident | 87.8 | Confident | 125 Ų | 125 | 81.1 Ų | 81.1 | 64% | 0.641 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -73.4 | -42.3 | 177.7 | -67.2 | 173.6 | 0 | 0 | 0 | 110.9 | L16 | L16-I20 HydrophobicContact CD1-CD1 3.85Å; L16-I20 HydrophobicContact CD1-CG1 4.18Å; L16-I20 HydrophobicContact CD2-CD1 4.44Å; L16-I20 HydrophobicContact CG-CD1 3.79Å; L16-I20 HydrophobicContact CG-CG1 4.42Å; L16-I20 WeakPolarHBondContact O-CG1 3.46Å; L16-I20 PolarHBondContact O-N 2.99Å |
| 21 | L | 88.4 | Confident | 87.9 | Confident | 79 Ų | 79 | 81.4 Ų | 81.4 | 41% | 0.414 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -89.3 | -16.7 | -173.7 | -62.8 | 169.5 | 0 | 0 | 0 | 113.4 | C17 R23 V28 Q31 | C17-L21 WeakPolarHBondContact O-CB 3.41Å; C17-L21 WeakPolarHBondContact O-CG 3.46Å; C17-L21 PolarHBondContact O-N 2.8Å; L21-R23 HydrophobicContact CB-CG 4.38Å; L21-R23 PolarHBondContact O-N 3.46Å; L21-V28 HydrophobicContact CB-CG1 4.16Å; L21-V28 HydrophobicContact CD1-CB 4.22Å; L21-V28 HydrophobicContact CD1-CG1 3.69Å; L21-Q31 HydrophobicContact CD1-CB 3.98Å; L21-Q31 HydrophobicContact CD1-CG 3.84Å |
| 22 | G | 89.4 | Confident | 88 | Confident | 72 Ų | 72 | 82 Ų | 82 | 74% | 0.742 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | 25.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | C18 | C18-G22 WeakPolarHBondContact O-CA 3.42Å; C18-G22 PolarHBondContact O-N 3.2Å |
| 23 | R | 88.8 | Confident | 88 | Confident | 161 Ų | 161 | 83.6 Ų | 83.6 | 61% | 0.608 | 44% | 0.44 | S | S | * | . | trans | -118 | 162.7 | -175.6 | -61.8 | -175.8 | -174 | -148.2 | -0.7 | 112 | L21 D27 V28 | L21-R23 HydrophobicContact CB-CG 4.38Å; L21-R23 PolarHBondContact O-N 3.46Å; R23-D27 HydrophobicContact CB-CB 4.05Å; R23-V28 HydrophobicContact CB-CG1 3.86Å | ||
| 24 | S | 86.3 | Confident | 88 | Confident | 74 Ų | 74 | 89.6 Ų | 89.6 | 52% | 0.517 | 46% | 0.462 | S | S | . | . | trans | -65.9 | 155.6 | 175.3 | 179.9 | 0 | 0 | 0 | 0 | 111.6 | A26 D27 V28 | S24-A26 PolarHBondContact O-N 2.95Å; S24-D27 PolarHBondContact O-N 3.36Å; S24-V28 PolarHBondContact O-N 3.45Å | ||
| 25 | E | 81.8 | Confident | 88 | Confident | 102 Ų | 102 | 88.4 Ų | 88.4 | 48% | 0.477 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -35.7 | 179 | -73.2 | -175.8 | -166.5 | 0 | 0 | 113.3 | Q14 D27 V28 | Q14-E25 HydrophobicContact CG-CG 4.4Å; Q14-E25 PolarHBondContact NE2-OE2 3.01Å; E25-D27 VanDerWaalsContact C-N 3.32Å; E25-D27 PolarHBondContact O-N 3.33Å; E25-V28 WeakPolarHBondContact O-CG2 3.16Å |
| 26 | A | 82.3 | Confident | 88 | Confident | 80 Ų | 80 | 87.5 Ų | 87.5 | 66% | 0.661 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -34.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S24 | S24-A26 PolarHBondContact O-N 2.95Š|
| 27 | D | 84.9 | Confident | 87.9 | Confident | 109 Ų | 109 | 92 Ų | 92 | 58% | 0.583 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -19.7 | -175.2 | -60 | -36.6 | 0 | 0 | 0 | 112.8 | R23 S24 E25 | R23-D27 HydrophobicContact CB-CB 4.05Å; S24-D27 PolarHBondContact O-N 3.36Å; E25-D27 VanDerWaalsContact C-N 3.32Å; E25-D27 PolarHBondContact O-N 3.33Å |
| 28 | V | 89.1 | Confident | 87.7 | Confident | 1 Ų | 1 | 94.1 Ų | 94.1 | 1% | 0.006 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 1.6 | 179.6 | -58.5 | 0 | 0 | 0 | 0 | 113.4 | C17 L21 R23 S24 E25 Q30 Q31 F32 | C17-V28 HydrophobicContact CB-CB 4.2Å; C17-V28 HydrophobicContact CB-CG2 4.22Å; L21-V28 HydrophobicContact CB-CG1 4.16Å; L21-V28 HydrophobicContact CD1-CB 4.22Å; L21-V28 HydrophobicContact CD1-CG1 3.69Å; R23-V28 HydrophobicContact CB-CG1 3.86Å; S24-V28 PolarHBondContact O-N 3.45Å; E25-V28 WeakPolarHBondContact O-CG2 3.16Å; V28-Q30 VanDerWaalsContact C-N 3.27Å; V28-Q30 PolarHBondContact O-N 3Å; V28-Q30 VanDerWaalsContact O-N 3.17Å; V28-Q31 PolarHBondContact O-N 2.95Å; V28-F32 WeakPolarHBondContact O-CB 3.38Å; V28-F32 PolarHBondContact O-N 3.48Å |
| 29 | A | 86 | Confident | 87.6 | Confident | 45 Ų | 45 | 96.9 Ų | 96.9 | 37% | 0.372 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -53.6 | -40.8 | -174 | 0 | 0 | 0 | 0 | 0 | 113.3 | F32 Q33 | A29-F32 PolarHBondContact O-N 3.17Å; A29-Q33 WeakPolarHBondContact O-CB 3.45Å; A29-Q33 VanDerWaalsContact O-CG 3.31Å; A29-Q33 WeakPolarHBondContact O-CG 3.29Å; A29-Q33 PolarHBondContact O-N 3.19Å |
| 30 | Q | 87.3 | Confident | 87.2 | Confident | 151 Ų | 151 | 89.3 Ų | 89.3 | 71% | 0.706 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.5 | -40.2 | 178.9 | -168.5 | 175.4 | 14 | 0 | 0 | 112.5 | V28 Y34 | V28-Q30 VanDerWaalsContact C-N 3.27Å; V28-Q30 PolarHBondContact O-N 3Å; V28-Q30 VanDerWaalsContact O-N 3.17Å; Q30-Y34 PolarHBondContact O-N 3.37Å; Q30-Y34 VanDerWaalsContact O-N 3.15Å |
| 31 | Q | 88.3 | Confident | 86.7 | Confident | 98 Ų | 98 | 87.4 Ų | 87.4 | 46% | 0.458 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -72.9 | -36.4 | 178.3 | -58.7 | -57.2 | -25.2 | 0 | 0 | 111.3 | L21 V28 Y34 A35 | L21-Q31 HydrophobicContact CD1-CB 3.98Å; L21-Q31 HydrophobicContact CD1-CG 3.84Å; V28-Q31 PolarHBondContact O-N 2.95Å; Q31-Y34 PolarHBondContact O-N 3.44Å; Q31-A35 WeakPolarHBondContact O-CB 3.37Å; Q31-A35 PolarHBondContact O-N 3.29Å |
| 32 | F | 89.4 | Confident | 86.1 | Confident | 44 Ų | 44 | 88.9 Ų | 88.9 | 19% | 0.193 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -62 | -47.3 | 172.2 | 174.1 | -109.8 | 0 | 0 | 0 | 111.6 | N10 L13 Q14 V28 A29 Y34 A35 V36 | N10-F32 HydrophobicContact CB-CZ 4.47Å; N10-F32 VanDerWaalsContact O-CE2 3.29Å; N10-F32 WeakPolarHBondContact O-CE2 3.18Å; L13-F32 HydrophobicContact CB-CE2 4.12Å; L13-F32 HydrophobicContact CD2-CD2 4.15Å; L13-F32 HydrophobicContact CD2-CE2 3.98Å; L13-F32 HydrophobicContact CG-CD2 4.37Å; L13-F32 HydrophobicContact CG-CE2 4.32Å; Q14-F32 HydrophobicContact CB-CD2 3.86Å; Q14-F32 HydrophobicContact CB-CE2 3.75Å; Q14-F32 HydrophobicContact CB-CZ 4.37Å; Q14-F32 HydrophobicContact CG-CD2 4.32Å; V28-F32 WeakPolarHBondContact O-CB 3.38Å; V28-F32 PolarHBondContact O-N 3.48Å; A29-F32 PolarHBondContact O-N 3.17Å; F32-Y34 VanDerWaalsContact C-N 3.29Å; F32-Y34 PolarHBondContact O-N 3.12Å; F32-A35 PolarHBondContact O-N 3.16Å; F32-A35 VanDerWaalsContact O-N 3.15Å; F32-V36 HydrophobicContact CD1-CG2 4.38Å; F32-V36 HydrophobicContact CD2-CG2 4.09Å; F32-V36 HydrophobicContact CE1-CG2 3.96Å; F32-V36 HydrophobicContact CE2-CG2 3.63Å; F32-V36 HydrophobicContact CG-CG2 4.44Å; F32-V36 HydrophobicContact CZ-CG2 3.57Å; F32-V36 WeakPolarHBondContact O-CG2 3.27Å; F32-V36 PolarHBondContact O-N 3.4Å |
| 33 | Q | 88.4 | Confident | 85.4 | Confident | 131 Ų | 131 | 92.8 Ų | 92.8 | 61% | 0.612 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58.6 | -40.5 | 175.9 | -77.4 | 179.3 | -1.6 | 0 | 0 | 112.4 | A29 R37 | A29-Q33 WeakPolarHBondContact O-CB 3.45Å; A29-Q33 VanDerWaalsContact O-CG 3.31Å; A29-Q33 WeakPolarHBondContact O-CG 3.29Å; A29-Q33 PolarHBondContact O-N 3.19Å; Q33-R37 PolarHBondContact O-N 3.27Å; Q33-R37 VanDerWaalsContact O-N 3.13Å |
| 34 | Y | 89.6 | Confident | 84.6 | Confident | 146 Ų | 146 | 88.4 Ų | 88.4 | 57% | 0.573 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.9 | -48.8 | 173.7 | 175 | -103.8 | 0 | 0 | 0 | 111.7 | Q30 Q31 F32 V36 R37 V38 | Q30-Y34 PolarHBondContact O-N 3.37Å; Q30-Y34 VanDerWaalsContact O-N 3.15Å; Q31-Y34 PolarHBondContact O-N 3.44Å; F32-Y34 VanDerWaalsContact C-N 3.29Å; F32-Y34 PolarHBondContact O-N 3.12Å; Y34-V36 VanDerWaalsContact C-N 3.34Å; Y34-V36 PolarHBondContact O-N 3.37Å; Y34-R37 WeakPolarHBondContact O-CB 3.29Å; Y34-R37 PolarHBondContact O-N 2.69Å; Y34-R37 VanDerWaalsContact O-N 3.13Å; Y34-V38 HydrophobicContact CD1-CG2 4.47Å; Y34-V38 HydrophobicContact CD2-CG2 4.34Å; Y34-V38 HydrophobicContact CE1-CG2 4Å; Y34-V38 HydrophobicContact CE2-CG2 3.86Å; Y34-V38 WeakPolarHBondContact O-CG2 3.37Å; Y34-V38 PolarHBondContact O-N 2.68Å |
| 35 | A | 87.8 | Confident | 83.9 | Confident | 20 Ų | 20 | 86.9 Ų | 86.9 | 17% | 0.165 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L13 Q31 F32 R37 V38 I39 | L13-A35 HydrophobicContact CD1-CB 4.33Å; L13-A35 HydrophobicContact CD2-CB 3.73Å; L13-A35 HydrophobicContact CG-CB 4.16Å; Q31-A35 WeakPolarHBondContact O-CB 3.37Å; Q31-A35 PolarHBondContact O-N 3.29Å; F32-A35 PolarHBondContact O-N 3.16Å; F32-A35 VanDerWaalsContact O-N 3.15Å; A35-R37 VanDerWaalsContact C-N 3.33Å; A35-R37 PolarHBondContact O-N 2.97Å; A35-V38 PolarHBondContact O-N 3.44Å; A35-I39 WeakPolarHBondContact O-CB 3.26Å; A35-I39 WeakPolarHBondContact O-CG1 3.46Å; A35-I39 PolarHBondContact O-N 3.38Å |
| 36 | V | 89.5 | Confident | 83.3 | Confident | 52 Ų | 52 | 86.6 Ų | 86.6 | 32% | 0.315 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 174.9 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | L13 F32 Y34 G40 | L13-V36 HydrophobicContact CD2-CB 4.48Å; L13-V36 HydrophobicContact CD2-CG2 3.65Å; F32-V36 HydrophobicContact CD1-CG2 4.38Å; F32-V36 HydrophobicContact CD2-CG2 4.09Å; F32-V36 HydrophobicContact CE1-CG2 3.96Å; F32-V36 HydrophobicContact CE2-CG2 3.63Å; F32-V36 HydrophobicContact CG-CG2 4.44Å; F32-V36 HydrophobicContact CZ-CG2 3.57Å; F32-V36 WeakPolarHBondContact O-CG2 3.27Å; F32-V36 PolarHBondContact O-N 3.4Å; Y34-V36 VanDerWaalsContact C-N 3.34Å; Y34-V36 PolarHBondContact O-N 3.37Å; V36-G40 WeakPolarHBondContact O-CA 3.33Å; V36-G40 PolarHBondContact O-N 3.28Å |
| 37 | R | 87.8 | Confident | 83 | Confident | 187 Ų | 187 | 84.2 Ų | 84.2 | 71% | 0.706 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.8 | -44.8 | 177.6 | -174.1 | -175.4 | -64.3 | 172.3 | 0.1 | 111.9 | Q33 Y34 A35 S41 | Q33-R37 PolarHBondContact O-N 3.27Å; Q33-R37 VanDerWaalsContact O-N 3.13Å; Y34-R37 WeakPolarHBondContact O-CB 3.29Å; Y34-R37 PolarHBondContact O-N 2.69Å; Y34-R37 VanDerWaalsContact O-N 3.13Å; A35-R37 VanDerWaalsContact C-N 3.33Å; A35-R37 PolarHBondContact O-N 2.97Å; R37-S41 WeakPolarHBondContact O-CB 3.44Å; R37-S41 PolarHBondContact O-N 2.95Å; R37-S41 PolarHBondContact O-OG 3.41Å |
| 38 | V | 86.6 | Confident | 82.5 | Confident | 61 Ų | 61 | 82.1 Ų | 82.1 | 37% | 0.37 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -69.8 | -47.3 | -178.4 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | Y34 A35 S41 N42 | Y34-V38 HydrophobicContact CD1-CG2 4.47Å; Y34-V38 HydrophobicContact CD2-CG2 4.34Å; Y34-V38 HydrophobicContact CE1-CG2 4Å; Y34-V38 HydrophobicContact CE2-CG2 3.86Å; Y34-V38 WeakPolarHBondContact O-CG2 3.37Å; Y34-V38 PolarHBondContact O-N 2.68Å; A35-V38 PolarHBondContact O-N 3.44Å; V38-S41 PolarHBondContact O-OG 3.14Å; V38-N42 PolarHBondContact O-N 3.43Å |
| 39 | I | 86.1 | Confident | 82.1 | Confident | 80 Ų | 80 | 88.9 Ų | 88.9 | 41% | 0.41 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -73.4 | -37.2 | -178.3 | -68 | 170.8 | 0 | 0 | 0 | 111.2 | L13 A35 S41 N42 F43 | L13-I39 HydrophobicContact CD1-CD1 3.23Å; L13-I39 HydrophobicContact CD2-CD1 4.21Å; L13-I39 HydrophobicContact CG-CD1 4.35Å; A35-I39 WeakPolarHBondContact O-CB 3.26Å; A35-I39 WeakPolarHBondContact O-CG1 3.46Å; A35-I39 PolarHBondContact O-N 3.38Å; I39-S41 VanDerWaalsContact C-N 3.3Å; I39-S41 PolarHBondContact O-N 2.81Å; I39-N42 CarbonylContact O-C 3.3Å; I39-N42 VanDerWaalsContact O-C 3.3Å; I39-N42 PolarHBondContact O-N 2.89Å; I39-F43 HydrophobicContact CG2-CD2 4.34Å; I39-F43 PolarHBondContact O-N 3.21Å; I39-F43 VanDerWaalsContact O-N 3.15Å |
| 40 | G | 83.3 | Confident | 81.9 | Confident | 57 Ų | 57 | 89.9 Ų | 89.9 | 59% | 0.588 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66.1 | -30.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V36 | V36-G40 WeakPolarHBondContact O-CA 3.33Å; V36-G40 PolarHBondContact O-N 3.28Å |
| 41 | S | 79.3 | Confident | 81.9 | Confident | 86 Ų | 86 | 84.7 Ų | 84.7 | 60% | 0.601 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -79.3 | -20.8 | 174.7 | 50.6 | 0 | 0 | 0 | 0 | 113.6 | R37 V38 I39 | R37-S41 WeakPolarHBondContact O-CB 3.44Å; R37-S41 PolarHBondContact O-N 2.95Å; R37-S41 PolarHBondContact O-OG 3.41Å; V38-S41 PolarHBondContact O-OG 3.14Å; I39-S41 VanDerWaalsContact C-N 3.3Å; I39-S41 PolarHBondContact O-N 2.81Å |
| 42 | N | 75.8 | Confident | 81.9 | Confident | 109 Ų | 109 | 86.6 Ų | 86.6 | 58% | 0.583 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129 | 48.4 | -176.6 | -68.7 | -82.2 | 0 | 0 | 0 | 111.8 | V38 I39 | V38-N42 PolarHBondContact O-N 3.43Å; I39-N42 CarbonylContact O-C 3.3Å; I39-N42 VanDerWaalsContact O-C 3.3Å; I39-N42 PolarHBondContact O-N 2.89Å |
| 43 | F | 74.3 | Confident | 81.8 | Confident | 155 Ų | 155 | 86.8 Ų | 86.8 | 68% | 0.68 | 45% | 0.451 | S | S | * | . | trans | -76.6 | -25.9 | -175.5 | -164.9 | -105.1 | 0 | 0 | 0 | 113.2 | I39 | I39-F43 HydrophobicContact CG2-CD2 4.34Å; I39-F43 PolarHBondContact O-N 3.21Å; I39-F43 VanDerWaalsContact O-N 3.15Å | ||
| 44 | A | 72.9 | Confident | 81.8 | Confident | 69 Ų | 69 | 80.8 Ų | 80.8 | 57% | 0.57 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -88.4 | 138.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | T46 | A44-T46 PolarHBondContact O-N 3.19Š|
| 45 | P | 71.3 | Confident | 81.9 | Confident | 41 Ų | 41 | 74 Ų | 74 | 27% | 0.266 | 40% | 0.397 | S | S | . | . | trans | -64.6 | 123.9 | 172.3 | 31.2 | -37.5 | 0 | 0 | 0 | 109.6 | V47 | P45-V47 VanDerWaalsContact C-N 3.27Š| ||
| 46 | T | 70.3 | Confident | 82 | Confident | 96 Ų | 96 | 75.5 Ų | 75.5 | 59% | 0.589 | 40% | 0.401 | S | S | * | . | trans | -82.7 | -7 | 179.6 | 48.3 | 0 | 0 | 0 | 0 | 113.2 | A44 R124 | A44-T46 PolarHBondContact O-N 3.19Å; T46-R124 PolarHBondContact O-N 3.06Å | ||
| 47 | V | 75 | Confident | 82 | Confident | 31 Ų | 31 | 76 Ų | 76 | 19% | 0.188 | 40% | 0.399 | C | S | . | . | B | Isolated β-bridge | trans | -131.8 | 142.4 | -165.1 | 175.8 | 0 | 0 | 0 | 0 | 109.7 | P45 W91 A121 | P45-V47 VanDerWaalsContact C-N 3.27Å; V47-W91 HydrophobicContact CB-CZ2 4.48Å; V47-W91 HydrophobicContact CG1-CZ2 4.25Å; V47-A121 HydrophobicContact CB-CB 4.48Å; V47-A121 HydrophobicContact CG1-CB 3Å |
| 48 | E | 74.1 | Confident | 82.1 | Confident | 65 Ų | 65 | 68.1 Ų | 68.1 | 30% | 0.304 | 37% | 0.37 | S | S | . | . | trans | -57.6 | 138.7 | 175.4 | -80.2 | -151.9 | 157 | 0 | 0 | 113.1 | D50 L122 H127 | E48-D50 VanDerWaalsContact C-N 3.26Å; E48-D50 PolarHBondContact O-N 3.32Å; E48-L122 HydrophobicContact CB-CB 4.49Å; E48-L122 HydrophobicContact CG-CB 4.09Å; E48-L122 PolarHBondContact N-O 3.36Å; E48-L122 VanDerWaalsContact N-O 3.07Å; E48-H127 IonicContact OE1-CD2 3.29Å; E48-H127 IonicContact OE1-CE1 2.69Å; E48-H127 IonicContact OE1-NE2 2.68Å; E48-H127 PolarHBondContact OE1-NE2 2.79Å | ||
| 49 | R | 81.4 | Confident | 82.2 | Confident | 142 Ų | 142 | 67.6 Ų | 67.6 | 54% | 0.536 | 36% | 0.363 | S | S | . | . | trans | -87 | 54.8 | -173.3 | -60.1 | -176.3 | -179.4 | 167.4 | -2.2 | 112.5 | E51 W91 | R49-E51 PolarHBondContact O-N 2.95Å; R49-W91 HydrophobicContact CB-CB 4.39Å; R49-W91 HydrophobicContact CB-CD2 3.94Å; R49-W91 HydrophobicContact CB-CE3 4.14Å; R49-W91 HydrophobicContact CB-CG 4.05Å; R49-W91 HydrophobicContact CG-CD2 4.07Å; R49-W91 HydrophobicContact CG-CE3 3.77Å; R49-W91 HydrophobicContact CG-CZ3 4.06Å | ||
| 50 | D | 81.9 | Confident | 82.2 | Confident | 66 Ų | 66 | 68.8 Ų | 68.8 | 35% | 0.353 | 37% | 0.365 | S | S | . | . | trans | -81.7 | 98.5 | 178.1 | -172.8 | -14.4 | 0 | 0 | 0 | 111.4 | E48 F52 L53 V54 | E48-D50 VanDerWaalsContact C-N 3.26Å; E48-D50 PolarHBondContact O-N 3.32Å; D50-F52 VanDerWaalsContact C-N 3.3Å; D50-F52 PolarHBondContact O-N 3Å; D50-F52 WeakPolarHBondContact OD1-CB 3.14Å; D50-F52 PolarHBondContact OD1-N 3.2Å; D50-L53 HydrophobicContact CB-CB 3.91Å; D50-L53 PolarHBondContact O-N 3.31Å; D50-L53 PolarHBondContact OD1-N 2.86Å; D50-V54 PolarHBondContact O-N 3.5Å | ||
| 51 | E | 86.5 | Confident | 82.4 | Confident | 43 Ų | 43 | 68.6 Ų | 68.6 | 20% | 0.201 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.4 | -41.6 | 176.6 | 178.2 | 179.5 | 149.1 | 0 | 0 | 112 | R49 V54 A55 H78 H82 K90 L94 | R49-E51 PolarHBondContact O-N 2.95Å; E51-V54 PolarHBondContact O-N 3.2Å; E51-A55 WeakPolarHBondContact O-CB 3.41Å; E51-A55 PolarHBondContact O-N 3.15Å; E51-H78 IonicContact OE1-CE1 3.65Å; E51-H78 PolarHBondContact OE1-CE1 3.24Å; E51-H78 IonicContact OE1-NE2 2.76Å; E51-H78 PolarHBondContact OE1-NE2 3.47Å; E51-H82 IonicContact OE1-CE1 3.98Å; E51-H82 IonicContact OE1-ND1 3.08Å; E51-H82 PolarHBondContact OE1-ND1 2.99Å; E51-K90 HydrophobicContact CG-CB 4.4Å; E51-K90 WeakPolarHBondContact OE2-CB 3.36Å; E51-K90 WeakPolarHBondContact OE2-CD 3.29Å; E51-L94 HydrophobicContact CG-CD1 4.24Å |
| 52 | F | 87.8 | Confident | 82.8 | Confident | 137 Ų | 137 | 65.9 Ų | 65.9 | 60% | 0.601 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.9 | -44.4 | -176.5 | 177 | -100.8 | 0 | 0 | 0 | 110.6 | D50 V54 A55 E56 | D50-F52 VanDerWaalsContact C-N 3.3Å; D50-F52 PolarHBondContact O-N 3Å; D50-F52 WeakPolarHBondContact OD1-CB 3.14Å; D50-F52 PolarHBondContact OD1-N 3.2Å; F52-V54 VanDerWaalsContact C-N 3.33Å; F52-V54 PolarHBondContact O-N 3.43Å; F52-A55 PolarHBondContact O-N 2.87Å; F52-E56 HydrophobicContact CD1-CG 4.16Å; F52-E56 HydrophobicContact CD2-CG 4.49Å; F52-E56 HydrophobicContact CE1-CG 3.7Å; F52-E56 HydrophobicContact CE2-CG 4.06Å; F52-E56 HydrophobicContact CZ-CG 3.64Å; F52-E56 WeakPolarHBondContact O-CG 3.31Å; F52-E56 PolarHBondContact O-N 3.34Å |
| 53 | L | 87.9 | Confident | 83.3 | Confident | 49 Ų | 49 | 64.9 Ų | 64.9 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60 | -42.2 | 178.4 | -173.7 | 69.5 | 0 | 0 | 0 | 112.3 | D50 K57 A121 | D50-L53 HydrophobicContact CB-CB 3.91Å; D50-L53 PolarHBondContact O-N 3.31Å; D50-L53 PolarHBondContact OD1-N 2.86Å; L53-K57 WeakPolarHBondContact O-CG 3.32Å; L53-K57 PolarHBondContact O-N 3.48Å; L53-A121 HydrophobicContact CD2-CB 3.97Å |
| 54 | V | 89.8 | Confident | 84 | Confident | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.03 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69 | -40.3 | 178.2 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | D50 E51 F52 K57 I58 W91 L94 Y95 L98 | D50-V54 PolarHBondContact O-N 3.5Å; E51-V54 PolarHBondContact O-N 3.2Å; F52-V54 VanDerWaalsContact C-N 3.33Å; F52-V54 PolarHBondContact O-N 3.43Å; V54-K57 WeakPolarHBondContact O-CB 3.49Å; V54-K57 PolarHBondContact O-N 2.84Å; V54-I58 HydrophobicContact CG1-CD1 4.11Å; V54-I58 WeakPolarHBondContact O-CG1 3.48Å; V54-I58 PolarHBondContact O-N 3.37Å; V54-W91 VanDerWaalsContact CG2-NE1 3.33Å; V54-L94 HydrophobicContact CG1-CB 3.76Å; V54-Y95 HydrophobicContact CG2-CD2 4.12Å; V54-L98 HydrophobicContact CG1-CD2 4.38Å |
| 55 | A | 90.6 | Very high | 84.6 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 3% | 0.033 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E51 F52 K57 I58 K59 F74 | E51-A55 WeakPolarHBondContact O-CB 3.41Å; E51-A55 PolarHBondContact O-N 3.15Å; F52-A55 PolarHBondContact O-N 2.87Å; A55-K57 VanDerWaalsContact C-N 3.34Å; A55-K57 PolarHBondContact O-N 2.9Å; A55-I58 PolarHBondContact O-N 2.91Å; A55-K59 WeakPolarHBondContact O-CG 3.44Å; A55-K59 PolarHBondContact O-N 3.03Å; A55-F74 HydrophobicContact CB-CE1 4.18Å; A55-F74 HydrophobicContact CB-CZ 4.38Å |
| 56 | E | 90.2 | Very high | 85.1 | Confident | 50 Ų | 50 | 71.6 Ų | 71.6 | 23% | 0.234 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.5 | -41 | 173.7 | -75.8 | -58.8 | 127.3 | 0 | 0 | 112.2 | F52 K59 K60 | F52-E56 HydrophobicContact CD1-CG 4.16Å; F52-E56 HydrophobicContact CD2-CG 4.49Å; F52-E56 HydrophobicContact CE1-CG 3.7Å; F52-E56 HydrophobicContact CE2-CG 4.06Å; F52-E56 HydrophobicContact CZ-CG 3.64Å; F52-E56 WeakPolarHBondContact O-CG 3.31Å; F52-E56 PolarHBondContact O-N 3.34Å; E56-K59 PolarHBondContact O-N 3.15Å; E56-K59 WeakPolarHBondContact OE1-CE 3.42Å; E56-K59 IonicContact OE1-NZ 3.46Å; E56-K59 PolarHBondContact OE1-NZ 3.43Å; E56-K60 WeakPolarHBondContact O-CB 3.32Å; E56-K60 WeakPolarHBondContact O-CG 3.42Å; E56-K60 PolarHBondContact O-N 3.19Å |
| 57 | K | 88.9 | Confident | 85.9 | Confident | 63 Ų | 63 | 72.9 Ų | 72.9 | 27% | 0.274 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 174.8 | -80.8 | -178 | 170.3 | -169.1 | 0 | 112.2 | L53 V54 A55 K59 K60 E61 L98 A119 | L53-K57 WeakPolarHBondContact O-CG 3.32Å; L53-K57 PolarHBondContact O-N 3.48Å; V54-K57 WeakPolarHBondContact O-CB 3.49Å; V54-K57 PolarHBondContact O-N 2.84Å; A55-K57 VanDerWaalsContact C-N 3.34Å; A55-K57 PolarHBondContact O-N 2.9Å; K57-K59 VanDerWaalsContact C-N 3.34Å; K57-K59 PolarHBondContact O-N 3.17Å; K57-K60 PolarHBondContact O-N 3.33Å; K57-E61 WeakPolarHBondContact O-CB 3.26Å; K57-E61 PolarHBondContact O-N 3.03Å; K57-L98 HydrophobicContact CB-CD2 3.93Å; K57-L98 HydrophobicContact CD-CD2 4.04Å; K57-A119 HydrophobicContact CD-CB 4.49Å; K57-A119 WeakPolarHBondContact CE-O 3.48Å; K57-A119 PolarHBondContact NZ-O 2.66Å |
| 58 | I | 89.8 | Confident | 86.6 | Confident | 22 Ų | 22 | 77.8 Ų | 77.8 | 11% | 0.113 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 179.2 | -66 | 163.4 | 0 | 0 | 0 | 110.4 | V54 A55 E61 L62 F74 L94 L98 | V54-I58 HydrophobicContact CG1-CD1 4.11Å; V54-I58 WeakPolarHBondContact O-CG1 3.48Å; V54-I58 PolarHBondContact O-N 3.37Å; A55-I58 PolarHBondContact O-N 2.91Å; I58-E61 PolarHBondContact O-N 3.49Å; I58-L62 HydrophobicContact CG2-CD1 4.11Å; I58-L62 WeakPolarHBondContact O-CG 3.42Å; I58-L62 PolarHBondContact O-N 2.96Å; I58-F74 HydrophobicContact CB-CE1 4.08Å; I58-F74 HydrophobicContact CB-CE2 4.3Å; I58-F74 HydrophobicContact CB-CZ 3.87Å; I58-F74 HydrophobicContact CD1-CE2 4.03Å; I58-F74 HydrophobicContact CD1-CZ 3.74Å; I58-F74 HydrophobicContact CG1-CZ 4.41Å; I58-F74 HydrophobicContact CG2-CD1 4.23Å; I58-F74 HydrophobicContact CG2-CD2 3.9Å; I58-F74 HydrophobicContact CG2-CE1 4.01Å; I58-F74 HydrophobicContact CG2-CE2 3.68Å; I58-F74 HydrophobicContact CG2-CG 4.17Å; I58-F74 HydrophobicContact CG2-CZ 3.73Å; I58-L94 HydrophobicContact CD1-CB 4.15Å; I58-L94 HydrophobicContact CD1-CD2 4.18Å; I58-L98 HydrophobicContact CD1-CB 4.42Å; I58-L98 HydrophobicContact CG1-CB 4.07Å; I58-L98 HydrophobicContact CG1-CD1 3.95Å; I58-L98 HydrophobicContact CG1-CD2 4.36Å; I58-L98 HydrophobicContact CG1-CG 4.34Å |
| 59 | K | 88.7 | Confident | 87.4 | Confident | 49 Ų | 49 | 78.5 Ų | 78.5 | 21% | 0.213 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 176.7 | -71.4 | -174 | -61.9 | 174.9 | 0 | 112.2 | A55 E56 K57 E61 L62 I63 F74 S75 | A55-K59 WeakPolarHBondContact O-CG 3.44Å; A55-K59 PolarHBondContact O-N 3.03Å; E56-K59 PolarHBondContact O-N 3.15Å; E56-K59 WeakPolarHBondContact OE1-CE 3.42Å; E56-K59 IonicContact OE1-NZ 3.46Å; E56-K59 PolarHBondContact OE1-NZ 3.43Å; K57-K59 VanDerWaalsContact C-N 3.34Å; K57-K59 PolarHBondContact O-N 3.17Å; K59-E61 VanDerWaalsContact C-N 3.28Å; K59-E61 PolarHBondContact O-N 3.13Å; K59-L62 PolarHBondContact O-N 3.17Å; K59-I63 VanDerWaalsContact O-CG1 3.29Å; K59-I63 WeakPolarHBondContact O-CG1 3.37Å; K59-I63 PolarHBondContact O-N 2.93Å; K59-F74 HydrophobicContact CD-CD1 4.19Å; K59-F74 HydrophobicContact CD-CE1 4.49Å; K59-F74 HydrophobicContact CG-CD1 3.53Å; K59-F74 HydrophobicContact CG-CE1 3.87Å; K59-S75 VanDerWaalsContact CD-OG 3.26Å; K59-S75 WeakPolarHBondContact CD-OG 3.49Å |
| 60 | K | 87.4 | Confident | 87.8 | Confident | 105 Ų | 105 | 74.2 Ų | 74.2 | 46% | 0.457 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.7 | -40.8 | 176.8 | -76 | 179.6 | 179.5 | -177.5 | 0 | 111.7 | E56 K57 I63 R64 | E56-K60 WeakPolarHBondContact O-CB 3.32Å; E56-K60 WeakPolarHBondContact O-CG 3.42Å; E56-K60 PolarHBondContact O-N 3.19Å; K57-K60 PolarHBondContact O-N 3.33Å; K60-I63 PolarHBondContact O-N 3.4Å; K60-R64 VanDerWaalsContact O-CB 3.25Å; K60-R64 WeakPolarHBondContact O-CB 3.27Å; K60-R64 PolarHBondContact O-N 3.05Å |
| 61 | E | 86.4 | Confident | 88.2 | Confident | 54 Ų | 54 | 71.3 Ų | 71.3 | 25% | 0.252 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 178.7 | -178 | 52.7 | -153.5 | 0 | 0 | 112.1 | K57 I58 K59 R64 Q65 | K57-E61 WeakPolarHBondContact O-CB 3.26Å; K57-E61 PolarHBondContact O-N 3.03Å; I58-E61 PolarHBondContact O-N 3.49Å; K59-E61 VanDerWaalsContact C-N 3.28Å; K59-E61 PolarHBondContact O-N 3.13Å; E61-R64 WeakPolarHBondContact O-CB 3.39Å; E61-R64 PolarHBondContact O-N 3.35Å; E61-R64 IonicContact OE1-CZ 2.69Å; E61-R64 IonicContact OE1-NE 3.11Å; E61-R64 IonicContact OE1-NH2 2.68Å; E61-R64 PolarHBondContact OE1-NH2 3.41Å; E61-R64 IonicContact OE2-CZ 2.62Å; E61-R64 IonicContact OE2-NE 2.9Å; E61-R64 PolarHBondContact OE2-NE 3.12Å; E61-R64 IonicContact OE2-NH2 2.68Å; E61-R64 PolarHBondContact OE2-NH2 3.46Å; E61-Q65 WeakPolarHBondContact O-CG 3.46Å; E61-Q65 PolarHBondContact O-N 3.35Å; E61-Q65 VanDerWaalsContact O-N 3.11Å; E61-Q65 PolarHBondContact OE1-NE2 2.93Å |
| 62 | L | 87.4 | Confident | 88.4 | Confident | 28 Ų | 28 | 72.4 Ų | 72.4 | 15% | 0.147 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.8 | -43.1 | 174.7 | -71.4 | 168.4 | 0 | 0 | 0 | 112.8 | I58 K59 R64 Q65 R66 R67 D70 A71 F74 | I58-L62 HydrophobicContact CG2-CD1 4.11Å; I58-L62 WeakPolarHBondContact O-CG 3.42Å; I58-L62 PolarHBondContact O-N 2.96Å; K59-L62 PolarHBondContact O-N 3.17Å; L62-R64 VanDerWaalsContact C-N 3.31Å; L62-R64 PolarHBondContact O-N 3.15Å; L62-Q65 PolarHBondContact O-N 3.14Å; L62-Q65 VanDerWaalsContact O-N 3.12Å; L62-R66 PolarHBondContact O-N 2.84Å; L62-R67 PolarHBondContact O-N 3.45Å; L62-D70 HydrophobicContact CD2-CB 4.34Å; L62-A71 HydrophobicContact CB-CB 3.92Å; L62-A71 HydrophobicContact CD1-CB 4.41Å; L62-F74 HydrophobicContact CD1-CB 4.04Å; L62-F74 HydrophobicContact CD1-CG 4.43Å |
| 63 | I | 87.6 | Confident | 88.8 | Confident | 88 Ų | 88 | 70.5 Ų | 70.5 | 45% | 0.451 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 174.9 | -66.1 | 165.3 | 0 | 0 | 0 | 110 | K59 K60 Q65 R66 A71 | K59-I63 VanDerWaalsContact O-CG1 3.29Å; K59-I63 WeakPolarHBondContact O-CG1 3.37Å; K59-I63 PolarHBondContact O-N 2.93Å; K60-I63 PolarHBondContact O-N 3.4Å; I63-Q65 PolarHBondContact O-N 2.67Å; I63-R66 WeakPolarHBondContact O-CA 3.36Å; I63-R66 PolarHBondContact O-N 3.04Å; I63-A71 HydrophobicContact CD1-CB 4.49Å; I63-A71 HydrophobicContact CG1-CB 3.88Å |
| 64 | R | 87.5 | Confident | 89.1 | Confident | 113 Ų | 113 | 69.7 Ų | 69.7 | 43% | 0.426 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.2 | -24.8 | 176.8 | -160.9 | -160.2 | 59.3 | 51.6 | 10.5 | 112.8 | K60 E61 L62 R66 R106 | K60-R64 VanDerWaalsContact O-CB 3.25Å; K60-R64 WeakPolarHBondContact O-CB 3.27Å; K60-R64 PolarHBondContact O-N 3.05Å; E61-R64 WeakPolarHBondContact O-CB 3.39Å; E61-R64 PolarHBondContact O-N 3.35Å; E61-R64 IonicContact OE1-CZ 2.69Å; E61-R64 IonicContact OE1-NE 3.11Å; E61-R64 IonicContact OE1-NH2 2.68Å; E61-R64 PolarHBondContact OE1-NH2 3.41Å; E61-R64 IonicContact OE2-CZ 2.62Å; E61-R64 IonicContact OE2-NE 2.9Å; E61-R64 PolarHBondContact OE2-NE 3.12Å; E61-R64 IonicContact OE2-NH2 2.68Å; E61-R64 PolarHBondContact OE2-NH2 3.46Å; L62-R64 VanDerWaalsContact C-N 3.31Å; L62-R64 PolarHBondContact O-N 3.15Å; R64-R66 VanDerWaalsContact C-N 3.29Å; R64-R106 VanDerWaalsContact NH2-NH2 3.1Å |
| 65 | Q | 86.1 | Confident | 89.2 | Confident | 63 Ų | 63 | 71.9 Ų | 71.9 | 29% | 0.294 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 7 | 173.9 | -67.2 | 179 | 22 | 0 | 0 | 113.4 | E61 L62 I63 R67 | E61-Q65 WeakPolarHBondContact O-CG 3.46Å; E61-Q65 PolarHBondContact O-N 3.35Å; E61-Q65 VanDerWaalsContact O-N 3.11Å; E61-Q65 PolarHBondContact OE1-NE2 2.93Å; L62-Q65 PolarHBondContact O-N 3.14Å; L62-Q65 VanDerWaalsContact O-N 3.12Å; I63-Q65 PolarHBondContact O-N 2.67Å; Q65-R67 HydrophobicContact CB-CG 4.32Å; Q65-R67 PolarHBondContact O-N 3.23Å |
| 66 | R | 82.2 | Confident | 89.4 | Confident | 230 Ų | 230 | 74.8 Ų | 74.8 | 87% | 0.868 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 25.2 | -172.5 | -59.9 | -172.9 | 177.2 | -134 | 1.3 | 113.7 | L62 I63 R64 | L62-R66 PolarHBondContact O-N 2.84Å; I63-R66 WeakPolarHBondContact O-CA 3.36Å; I63-R66 PolarHBondContact O-N 3.04Å; R64-R66 VanDerWaalsContact C-N 3.29Å |
| 67 | R | 87.3 | Confident | 89.5 | Confident | 123 Ų | 123 | 77 Ų | 77 | 46% | 0.464 | 38% | 0.377 | S | S | . | . | trans | -104.3 | 58.7 | 178.1 | -65.9 | 179.3 | 64.3 | -174.4 | 0.5 | 110.4 | L62 Q65 A69 D70 A71 | L62-R67 PolarHBondContact O-N 3.45Å; Q65-R67 HydrophobicContact CB-CG 4.32Å; Q65-R67 PolarHBondContact O-N 3.23Å; R67-A69 VanDerWaalsContact C-N 3.34Å; R67-A69 PolarHBondContact O-N 3.48Å; R67-D70 HydrophobicContact CB-CB 4.21Å; R67-D70 IonicContact CZ-OD2 3.82Å; R67-D70 IonicContact NE-OD2 2.83Å; R67-D70 PolarHBondContact NE-OD2 3.23Å; R67-D70 IonicContact NH2-OD1 2.7Å; R67-D70 IonicContact NH2-OD2 3.86Å; R67-D70 PolarHBondContact NH2-OD2 3.49Å; R67-D70 PolarHBondContact O-N 2.92Å; R67-A71 PolarHBondContact O-N 2.95Å | ||
| 68 | E | 88.3 | Confident | 89.6 | Confident | 135 Ų | 135 | 75.6 Ų | 75.6 | 63% | 0.631 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65 | -36.9 | -173.6 | -62.5 | 178.8 | 177.3 | 0 | 0 | 112.6 | D70 A71 A72 | E68-D70 VanDerWaalsContact C-N 3.28Å; E68-D70 PolarHBondContact O-N 3.23Å; E68-A71 WeakPolarHBondContact O-CB 3.31Å; E68-A71 PolarHBondContact O-N 3.41Å; E68-A72 PolarHBondContact O-N 3.32Å; E68-A72 VanDerWaalsContact O-N 3.13Å |
| 69 | A | 90.9 | Very high | 89.6 | Confident | 79 Ų | 79 | 82.2 Ų | 82.2 | 65% | 0.653 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -59.9 | -38.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R67 A72 L73 | R67-A69 VanDerWaalsContact C-N 3.34Å; R67-A69 PolarHBondContact O-N 3.48Å; A69-A72 PolarHBondContact O-N 2.95Å; A69-L73 PolarHBondContact O-N 3.4Å |
| 70 | D | 90.2 | Very high | 89.8 | Confident | 52 Ų | 52 | 84.9 Ų | 84.9 | 28% | 0.278 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -73.3 | -29.6 | 178.3 | -64 | -41.5 | 0 | 0 | 0 | 112.2 | L62 R67 E68 L73 F74 | L62-D70 HydrophobicContact CD2-CB 4.34Å; R67-D70 HydrophobicContact CB-CB 4.21Å; R67-D70 IonicContact CZ-OD2 3.82Å; R67-D70 IonicContact NE-OD2 2.83Å; R67-D70 PolarHBondContact NE-OD2 3.23Å; R67-D70 IonicContact NH2-OD1 2.7Å; R67-D70 IonicContact NH2-OD2 3.86Å; R67-D70 PolarHBondContact NH2-OD2 3.49Å; R67-D70 PolarHBondContact O-N 2.92Å; E68-D70 VanDerWaalsContact C-N 3.28Å; E68-D70 PolarHBondContact O-N 3.23Å; D70-L73 PolarHBondContact O-N 3.38Å; D70-F74 VanDerWaalsContact O-CB 3.27Å; D70-F74 WeakPolarHBondContact O-CB 3.32Å; D70-F74 PolarHBondContact O-N 2.94Å |
| 71 | A | 90.8 | Very high | 89.8 | Confident | 6 Ų | 6 | 82.2 Ų | 82.2 | 5% | 0.05 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.5 | -38.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L62 I63 R67 E68 S75 | L62-A71 HydrophobicContact CB-CB 3.92Å; L62-A71 HydrophobicContact CD1-CB 4.41Å; I63-A71 HydrophobicContact CD1-CB 4.49Å; I63-A71 HydrophobicContact CG1-CB 3.88Å; R67-A71 PolarHBondContact O-N 2.95Å; E68-A71 WeakPolarHBondContact O-CB 3.31Å; E68-A71 PolarHBondContact O-N 3.41Å; A71-S75 PolarHBondContact O-N 2.86Å; A71-S75 VanDerWaalsContact O-N 3.15Å; A71-S75 PolarHBondContact O-OG 3.29Å |
| 72 | A | 91.5 | Very high | 89.8 | Confident | 65 Ų | 65 | 84.6 Ų | 84.6 | 54% | 0.537 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.1 | -45.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | E68 A69 F74 S75 E76 | E68-A72 PolarHBondContact O-N 3.32Å; E68-A72 VanDerWaalsContact O-N 3.13Å; A69-A72 PolarHBondContact O-N 2.95Å; A72-F74 VanDerWaalsContact C-N 3.34Å; A72-F74 PolarHBondContact O-N 3.15Å; A72-S75 WeakPolarHBondContact O-CB 3.27Å; A72-S75 PolarHBondContact O-N 3.38Å; A72-S75 VanDerWaalsContact O-N 3.14Å; A72-E76 PolarHBondContact O-N 3.37Å |
| 73 | L | 95.1 | Very high | 89.9 | Confident | 98 Ų | 98 | 87.7 Ų | 87.7 | 51% | 0.513 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 175.3 | -178.7 | 63.1 | 0 | 0 | 0 | 111.8 | A69 D70 S75 E76 L77 | A69-L73 PolarHBondContact O-N 3.4Å; D70-L73 PolarHBondContact O-N 3.38Å; L73-S75 VanDerWaalsContact C-N 3.27Å; L73-S75 PolarHBondContact O-N 2.93Å; L73-E76 PolarHBondContact O-N 3.45Å; L73-L77 HydrophobicContact CG-CD1 4.12Å; L73-L77 HydrophobicContact CG-CG 4.44Å; L73-L77 WeakPolarHBondContact O-CG 3.41Å; L73-L77 PolarHBondContact O-N 3.21Å |
| 74 | F | 94.6 | Very high | 89.7 | Confident | 32 Ų | 32 | 89.5 Ų | 89.5 | 14% | 0.14 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -58.1 | -40.2 | 175.6 | 173 | -95.4 | 0 | 0 | 0 | 111.8 | A55 I58 K59 L62 D70 A72 E76 L77 H78 L94 | A55-F74 HydrophobicContact CB-CE1 4.18Å; A55-F74 HydrophobicContact CB-CZ 4.38Å; I58-F74 HydrophobicContact CB-CE1 4.08Å; I58-F74 HydrophobicContact CB-CE2 4.3Å; I58-F74 HydrophobicContact CB-CZ 3.87Å; I58-F74 HydrophobicContact CD1-CE2 4.03Å; I58-F74 HydrophobicContact CD1-CZ 3.74Å; I58-F74 HydrophobicContact CG1-CZ 4.41Å; I58-F74 HydrophobicContact CG2-CD1 4.23Å; I58-F74 HydrophobicContact CG2-CD2 3.9Å; I58-F74 HydrophobicContact CG2-CE1 4.01Å; I58-F74 HydrophobicContact CG2-CE2 3.68Å; I58-F74 HydrophobicContact CG2-CG 4.17Å; I58-F74 HydrophobicContact CG2-CZ 3.73Å; K59-F74 HydrophobicContact CD-CD1 4.19Å; K59-F74 HydrophobicContact CD-CE1 4.49Å; K59-F74 HydrophobicContact CG-CD1 3.53Å; K59-F74 HydrophobicContact CG-CE1 3.87Å; L62-F74 HydrophobicContact CD1-CB 4.04Å; L62-F74 HydrophobicContact CD1-CG 4.43Å; D70-F74 VanDerWaalsContact O-CB 3.27Å; D70-F74 WeakPolarHBondContact O-CB 3.32Å; D70-F74 PolarHBondContact O-N 2.94Å; A72-F74 VanDerWaalsContact C-N 3.34Å; A72-F74 PolarHBondContact O-N 3.15Å; F74-E76 VanDerWaalsContact C-N 3.31Å; F74-E76 PolarHBondContact O-N 3.05Å; F74-L77 PolarHBondContact O-N 3.41Å; F74-H78 HydrophobicContact CE1-CB 4.41Å; F74-H78 HydrophobicContact CZ-CB 4.49Å; F74-H78 VanDerWaalsContact O-CB 3.29Å; F74-H78 WeakPolarHBondContact O-CB 3.41Å; F74-H78 PolarHBondContact O-N 3.06Å; F74-L94 HydrophobicContact CE2-CD2 4.25Å; F74-L94 HydrophobicContact CZ-CD2 4.34Å |
| 75 | S | 92.4 | Very high | 89.3 | Confident | 50 Ų | 50 | 87 Ų | 87 | 35% | 0.35 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 178.3 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | K59 A71 A72 L73 R79 | K59-S75 VanDerWaalsContact CD-OG 3.26Å; K59-S75 WeakPolarHBondContact CD-OG 3.49Å; A71-S75 PolarHBondContact O-N 2.86Å; A71-S75 VanDerWaalsContact O-N 3.15Å; A71-S75 PolarHBondContact O-OG 3.29Å; A72-S75 WeakPolarHBondContact O-CB 3.27Å; A72-S75 PolarHBondContact O-N 3.38Å; A72-S75 VanDerWaalsContact O-N 3.14Å; L73-S75 VanDerWaalsContact C-N 3.27Å; L73-S75 PolarHBondContact O-N 2.93Å; S75-R79 PolarHBondContact O-N 3.34Å |
| 76 | E | 93.8 | Very high | 89.3 | Confident | 65 Ų | 65 | 89.7 Ų | 89.7 | 30% | 0.304 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -70.8 | -40.2 | 176.2 | -179.4 | 56.1 | -160.7 | 0 | 0 | 112.2 | A72 L73 F74 H78 R79 K80 | A72-E76 PolarHBondContact O-N 3.37Å; L73-E76 PolarHBondContact O-N 3.45Å; F74-E76 VanDerWaalsContact C-N 3.31Å; F74-E76 PolarHBondContact O-N 3.05Å; E76-H78 VanDerWaalsContact C-N 3.34Å; E76-H78 PolarHBondContact O-N 3.15Å; E76-R79 PolarHBondContact O-N 2.91Å; E76-R79 IonicContact OE1-CZ 3.55Å; E76-R79 IonicContact OE1-NE 2.9Å; E76-R79 IonicContact OE1-NH2 3.15Å; E76-R79 PolarHBondContact OE1-NH2 3.13Å; E76-R79 IonicContact OE2-CZ 3.48Å; E76-R79 IonicContact OE2-NE 3.38Å; E76-R79 PolarHBondContact OE2-NE 3.4Å; E76-R79 IonicContact OE2-NH2 2.95Å; E76-R79 PolarHBondContact OE2-NH2 2.82Å; E76-K80 WeakPolarHBondContact O-CG 3.47Å; E76-K80 PolarHBondContact O-N 3.2Å; E76-K80 WeakPolarHBondContact OE1-CE 3.44Å |
| 77 | L | 92.9 | Very high | 89.4 | Confident | 96 Ų | 96 | 81.9 Ų | 81.9 | 50% | 0.503 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 174.7 | -68.7 | 175.2 | 0 | 0 | 0 | 111.8 | L73 F74 K80 L81 | L73-L77 HydrophobicContact CG-CD1 4.12Å; L73-L77 HydrophobicContact CG-CG 4.44Å; L73-L77 WeakPolarHBondContact O-CG 3.41Å; L73-L77 PolarHBondContact O-N 3.21Å; F74-L77 PolarHBondContact O-N 3.41Å; L77-K80 PolarHBondContact O-N 3.11Å; L77-L81 WeakPolarHBondContact O-CB 3.46Å; L77-L81 PolarHBondContact O-N 2.98Å |
| 78 | H | 90.9 | Very high | 89.1 | Confident | 35 Ų | 35 | 85.4 Ų | 85.4 | 16% | 0.162 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 175.8 | -171.3 | -103.5 | 0 | 0 | 0 | 111.1 | E51 F74 E76 L81 H82 | E51-H78 IonicContact OE1-CE1 3.65Å; E51-H78 PolarHBondContact OE1-CE1 3.24Å; E51-H78 IonicContact OE1-NE2 2.76Å; E51-H78 PolarHBondContact OE1-NE2 3.47Å; F74-H78 HydrophobicContact CE1-CB 4.41Å; F74-H78 HydrophobicContact CZ-CB 4.49Å; F74-H78 VanDerWaalsContact O-CB 3.29Å; F74-H78 WeakPolarHBondContact O-CB 3.41Å; F74-H78 PolarHBondContact O-N 3.06Å; E76-H78 VanDerWaalsContact C-N 3.34Å; E76-H78 PolarHBondContact O-N 3.15Å; H78-L81 PolarHBondContact O-N 3.27Å; H78-H82 WeakPolarHBondContact O-CB 3.37Å; H78-H82 PolarHBondContact O-N 3.13Å |
| 79 | R | 90.6 | Very high | 89 | Confident | 160 Ų | 160 | 83.4 Ų | 83.4 | 60% | 0.604 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.9 | -44.2 | 174.3 | -168 | -178.4 | 72.7 | 103.6 | 3.8 | 112 | S75 E76 H82 S83 | S75-R79 PolarHBondContact O-N 3.34Å; E76-R79 PolarHBondContact O-N 2.91Å; E76-R79 IonicContact OE1-CZ 3.55Å; E76-R79 IonicContact OE1-NE 2.9Å; E76-R79 IonicContact OE1-NH2 3.15Å; E76-R79 PolarHBondContact OE1-NH2 3.13Å; E76-R79 IonicContact OE2-CZ 3.48Å; E76-R79 IonicContact OE2-NE 3.38Å; E76-R79 PolarHBondContact OE2-NE 3.4Å; E76-R79 IonicContact OE2-NH2 2.95Å; E76-R79 PolarHBondContact OE2-NH2 2.82Å; R79-H82 PolarHBondContact O-N 3.36Å; R79-S83 PolarHBondContact O-N 2.9Å |
| 80 | K | 90.8 | Very high | 88.9 | Confident | 106 Ų | 106 | 80.8 Ų | 80.8 | 46% | 0.461 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 175.5 | -73.9 | 178.1 | 180 | 178.7 | 0 | 111.7 | E76 L77 H82 S83 Q84 | E76-K80 WeakPolarHBondContact O-CG 3.47Å; E76-K80 PolarHBondContact O-N 3.2Å; E76-K80 WeakPolarHBondContact OE1-CE 3.44Å; L77-K80 PolarHBondContact O-N 3.11Å; K80-H82 PolarHBondContact O-N 3.12Å; K80-S83 PolarHBondContact O-N 3.45Å; K80-S83 VanDerWaalsContact O-N 3.15Å; K80-S83 PolarHBondContact O-OG 2.9Å; K80-Q84 WeakPolarHBondContact O-CG 3.32Å; K80-Q84 PolarHBondContact O-N 3.27Å |
| 81 | L | 88.7 | Confident | 88.9 | Confident | 48 Ų | 48 | 79.6 Ų | 79.6 | 25% | 0.251 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.8 | -36.1 | 174.8 | -174.4 | 64.1 | 0 | 0 | 0 | 111.4 | L77 H78 L87 | L77-L81 WeakPolarHBondContact O-CB 3.46Å; L77-L81 PolarHBondContact O-N 2.98Å; H78-L81 PolarHBondContact O-N 3.27Å; L81-L87 HydrophobicContact CD1-CD2 4.22Å; L81-L87 HydrophobicContact CD2-CD2 4.46Å |
| 82 | H | 86.1 | Confident | 88.7 | Confident | 105 Ų | 105 | 81.6 Ų | 81.6 | 49% | 0.486 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.1 | -38.8 | 177.9 | -155.5 | 88.3 | 0 | 0 | 0 | 112.2 | E51 H78 R79 K80 K90 | E51-H82 IonicContact OE1-CE1 3.98Å; E51-H82 IonicContact OE1-ND1 3.08Å; E51-H82 PolarHBondContact OE1-ND1 2.99Å; H78-H82 WeakPolarHBondContact O-CB 3.37Å; H78-H82 PolarHBondContact O-N 3.13Å; R79-H82 PolarHBondContact O-N 3.36Å; K80-H82 PolarHBondContact O-N 3.12Å; H82-K90 PolarHBondContact ND1-NZ 2.83Å; H82-K90 PolarHBondContact O-NZ 3.39Å |
| 83 | S | 89.1 | Confident | 88.6 | Confident | 93 Ų | 93 | 81.7 Ų | 81.7 | 65% | 0.65 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -71.3 | -29 | -177.8 | 71.5 | 0 | 0 | 0 | 0 | 115.5 | R79 K80 G85 | R79-S83 PolarHBondContact O-N 2.9Å; K80-S83 PolarHBondContact O-N 3.45Å; K80-S83 VanDerWaalsContact O-N 3.15Å; K80-S83 PolarHBondContact O-OG 2.9Å; S83-G85 PolarHBondContact O-N 3.4Å |
| 84 | Q | 84.9 | Confident | 88.4 | Confident | 126 Ų | 126 | 77.5 Ų | 77.5 | 59% | 0.589 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -15.6 | -171.5 | -73.2 | 175.1 | -11.2 | 0 | 0 | 114.4 | K80 V86 | K80-Q84 WeakPolarHBondContact O-CG 3.32Å; K80-Q84 PolarHBondContact O-N 3.27Å; Q84-V86 HydrophobicContact CB-CG2 4.29Å; Q84-V86 PolarHBondContact O-N 3.07Å |
| 85 | G | 79.3 | Confident | 88.2 | Confident | 60 Ų | 60 | 80.6 Ų | 80.6 | 62% | 0.619 | 42% | 0.415 | S | S | * | . | trans | 63.4 | -7.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | S83 L87 | S83-G85 PolarHBondContact O-N 3.4Å; G85-L87 VanDerWaalsContact C-N 3.35Å; G85-L87 PolarHBondContact O-N 2.62Å | ||
| 86 | V | 85.9 | Confident | 88.1 | Confident | 119 Ų | 119 | 82.5 Ų | 82.5 | 72% | 0.721 | 42% | 0.421 | S | S | * | . | trans | -70.6 | -27.9 | -177.2 | -67.2 | 0 | 0 | 0 | 0 | 113.5 | Q84 | Q84-V86 HydrophobicContact CB-CG2 4.29Å; Q84-V86 PolarHBondContact O-N 3.07Å | ||
| 87 | L | 83.3 | Confident | 87.9 | Confident | 67 Ų | 67 | 84.1 Ų | 84.1 | 35% | 0.351 | 43% | 0.431 | S | S | . | . | trans | -97.9 | 112.1 | -173.6 | -154.8 | 75.8 | 0 | 0 | 0 | 111.1 | L81 G85 K90 I93 | L81-L87 HydrophobicContact CD1-CD2 4.22Å; L81-L87 HydrophobicContact CD2-CD2 4.46Å; G85-L87 VanDerWaalsContact C-N 3.35Å; G85-L87 PolarHBondContact O-N 2.62Å; L87-K90 HydrophobicContact CB-CG 4.21Å; L87-K90 HydrophobicContact CD2-CG 4.1Å; L87-K90 HydrophobicContact CG-CG 4.48Å; L87-I93 HydrophobicContact CD2-CG2 3.6Å | ||
| 88 | K | 82 | Confident | 87.7 | Confident | 197 Ų | 197 | 80.4 Ų | 80.4 | 86% | 0.857 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -72.9 | -43 | -178.7 | -65.2 | -174 | 178.1 | -177.1 | 0 | 113.3 | ||
| 89 | N | 84.8 | Confident | 87.5 | Confident | 93 Ų | 93 | 81.2 Ų | 81.2 | 50% | 0.497 | 42% | 0.421 | S | S | . | . | trans | -113.1 | 70.8 | -175.7 | -68.1 | -41.5 | 0 | 0 | 0 | 111.2 | W91 S92 | N89-W91 VanDerWaalsContact C-N 3.35Å; N89-S92 PolarHBondContact O-N 3.05Å | ||
| 90 | K | 89.1 | Confident | 87.3 | Confident | 24 Ų | 24 | 79.7 Ų | 79.7 | 10% | 0.104 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 179.3 | -65.4 | 168 | -178.6 | 165.9 | 0 | 112.4 | E51 H82 L87 S92 I93 L94 | E51-K90 HydrophobicContact CG-CB 4.4Å; E51-K90 WeakPolarHBondContact OE2-CB 3.36Å; E51-K90 WeakPolarHBondContact OE2-CD 3.29Å; H82-K90 PolarHBondContact ND1-NZ 2.83Å; H82-K90 PolarHBondContact O-NZ 3.39Å; L87-K90 HydrophobicContact CB-CG 4.21Å; L87-K90 HydrophobicContact CD2-CG 4.1Å; L87-K90 HydrophobicContact CG-CG 4.48Å; K90-S92 PolarHBondContact O-N 2.6Å; K90-I93 WeakPolarHBondContact O-CG2 3.47Å; K90-I93 PolarHBondContact O-N 2.93Å; K90-L94 WeakPolarHBondContact O-CG 3Å; K90-L94 PolarHBondContact O-N 3.05Å; K90-L94 VanDerWaalsContact O-N 3.15Å |
| 91 | W | 90.2 | Very high | 86.9 | Confident | 26 Ų | 26 | 77.6 Ų | 77.6 | 10% | 0.098 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -55.2 | -48 | 176.7 | 175.8 | 83.4 | 0 | 0 | 0 | 112.9 | V47 R49 V54 N89 I93 L94 Y95 | V47-W91 HydrophobicContact CB-CZ2 4.48Å; V47-W91 HydrophobicContact CG1-CZ2 4.25Å; R49-W91 HydrophobicContact CB-CB 4.39Å; R49-W91 HydrophobicContact CB-CD2 3.94Å; R49-W91 HydrophobicContact CB-CE3 4.14Å; R49-W91 HydrophobicContact CB-CG 4.05Å; R49-W91 HydrophobicContact CG-CD2 4.07Å; R49-W91 HydrophobicContact CG-CE3 3.77Å; R49-W91 HydrophobicContact CG-CZ3 4.06Å; V54-W91 VanDerWaalsContact CG2-NE1 3.33Å; N89-W91 VanDerWaalsContact C-N 3.35Å; W91-I93 VanDerWaalsContact C-N 3.35Å; W91-I93 PolarHBondContact O-N 3.33Å; W91-L94 PolarHBondContact O-N 3.47Å; W91-Y95 HydrophobicContact CZ2-CD2 4.16Å; W91-Y95 HydrophobicContact CZ2-CG 4.26Å; W91-Y95 VanDerWaalsContact O-CB 3.27Å; W91-Y95 WeakPolarHBondContact O-CB 3.25Å; W91-Y95 PolarHBondContact O-N 3.49Å |
| 92 | S | 86.9 | Confident | 86.2 | Confident | 49 Ų | 49 | 82 Ų | 82 | 34% | 0.343 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | -175.2 | -59.9 | 0 | 0 | 0 | 0 | 112.6 | N89 K90 L96 | N89-S92 PolarHBondContact O-N 3.05Å; K90-S92 PolarHBondContact O-N 2.6Å; S92-L96 WeakPolarHBondContact O-CB 3.34Å; S92-L96 PolarHBondContact O-N 2.89Å |
| 93 | I | 89.7 | Confident | 84.9 | Confident | 67 Ų | 67 | 80.2 Ų | 80.2 | 34% | 0.344 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -71.3 | -41.8 | 178.7 | -167.9 | 63.7 | 0 | 0 | 0 | 111.2 | L87 K90 W91 Y95 L96 L97 | L87-I93 HydrophobicContact CD2-CG2 3.6Å; K90-I93 WeakPolarHBondContact O-CG2 3.47Å; K90-I93 PolarHBondContact O-N 2.93Å; W91-I93 VanDerWaalsContact C-N 3.35Å; W91-I93 PolarHBondContact O-N 3.33Å; I93-Y95 VanDerWaalsContact C-N 3.33Å; I93-Y95 PolarHBondContact O-N 3.25Å; I93-L96 PolarHBondContact O-N 3.39Å; I93-L97 HydrophobicContact CG1-CD1 4.16Å; I93-L97 HydrophobicContact CG1-CG 4.49Å; I93-L97 WeakPolarHBondContact O-CB 3.42Å; I93-L97 VanDerWaalsContact O-CG 3.26Å; I93-L97 WeakPolarHBondContact O-CG 3.43Å; I93-L97 PolarHBondContact O-N 2.99Å |
| 94 | L | 90.8 | Very high | 83.1 | Confident | 10 Ų | 10 | 82 Ų | 82 | 5% | 0.052 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 178.9 | -68.3 | 173.8 | 0 | 0 | 0 | 111 | E51 V54 I58 F74 K90 W91 L97 L98 | E51-L94 HydrophobicContact CG-CD1 4.24Å; V54-L94 HydrophobicContact CG1-CB 3.76Å; I58-L94 HydrophobicContact CD1-CB 4.15Å; I58-L94 HydrophobicContact CD1-CD2 4.18Å; F74-L94 HydrophobicContact CE2-CD2 4.25Å; F74-L94 HydrophobicContact CZ-CD2 4.34Å; K90-L94 WeakPolarHBondContact O-CG 3Å; K90-L94 PolarHBondContact O-N 3.05Å; K90-L94 VanDerWaalsContact O-N 3.15Å; W91-L94 PolarHBondContact O-N 3.47Å; L94-L97 PolarHBondContact O-N 3.33Å; L94-L98 WeakPolarHBondContact O-CB 3.35Å; L94-L98 PolarHBondContact O-N 3.03Å |
| 95 | Y | 89.8 | Confident | 81.3 | Confident | 97 Ų | 97 | 86.2 Ų | 86.2 | 38% | 0.38 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 177.1 | -172.3 | -94.9 | 0 | 0 | 0 | 111.3 | V54 W91 I93 L98 S99 | V54-Y95 HydrophobicContact CG2-CD2 4.12Å; W91-Y95 HydrophobicContact CZ2-CD2 4.16Å; W91-Y95 HydrophobicContact CZ2-CG 4.26Å; W91-Y95 VanDerWaalsContact O-CB 3.27Å; W91-Y95 WeakPolarHBondContact O-CB 3.25Å; W91-Y95 PolarHBondContact O-N 3.49Å; I93-Y95 VanDerWaalsContact C-N 3.33Å; I93-Y95 PolarHBondContact O-N 3.25Å; Y95-L98 PolarHBondContact O-N 3.37Å; Y95-S99 PolarHBondContact O-N 3.07Å; Y95-S99 PolarHBondContact O-OG 3.03Å |
| 96 | L | 89.5 | Confident | 79.9 | Confident | 90 Ų | 90 | 89.3 Ų | 89.3 | 47% | 0.471 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.3 | -47.7 | 175.6 | 179.2 | 66.3 | 0 | 0 | 0 | 111.8 | S92 I93 L98 S99 L100 | S92-L96 WeakPolarHBondContact O-CB 3.34Å; S92-L96 PolarHBondContact O-N 2.89Å; I93-L96 PolarHBondContact O-N 3.39Å; L96-L98 VanDerWaalsContact C-N 3.29Å; L96-L98 PolarHBondContact O-N 3.35Å; L96-S99 PolarHBondContact O-N 3.45Å; L96-L100 HydrophobicContact CD1-CD1 4.19Å; L96-L100 HydrophobicContact CD1-CG 4.26Å; L96-L100 HydrophobicContact CG-CD1 4.01Å; L96-L100 HydrophobicContact CG-CG 4.43Å; L96-L100 VanDerWaalsContact O-CG 3.31Å; L96-L100 WeakPolarHBondContact O-CG 3.44Å; L96-L100 PolarHBondContact O-N 3.24Å |
| 97 | L | 90.1 | Very high | 77.8 | Confident | 98 Ų | 98 | 91.5 Ų | 91.5 | 51% | 0.513 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 179.2 | -71.5 | 172.6 | 0 | 0 | 0 | 111.9 | I93 L94 L100 S101 | I93-L97 HydrophobicContact CG1-CD1 4.16Å; I93-L97 HydrophobicContact CG1-CG 4.49Å; I93-L97 WeakPolarHBondContact O-CB 3.42Å; I93-L97 VanDerWaalsContact O-CG 3.26Å; I93-L97 WeakPolarHBondContact O-CG 3.43Å; I93-L97 PolarHBondContact O-N 2.99Å; L94-L97 PolarHBondContact O-N 3.33Å; L97-L100 PolarHBondContact O-N 3.38Å; L97-S101 WeakPolarHBondContact O-CB 3.44Å; L97-S101 PolarHBondContact O-N 2.97Å |
| 98 | L | 88.8 | Confident | 75.8 | Confident | 19 Ų | 19 | 93.3 Ų | 93.3 | 10% | 0.099 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -62.5 | -49.7 | 173.7 | 177.7 | 62.6 | 0 | 0 | 0 | 111 | V54 K57 I58 L94 Y95 L96 L100 S101 E102 | V54-L98 HydrophobicContact CG1-CD2 4.38Å; K57-L98 HydrophobicContact CB-CD2 3.93Å; K57-L98 HydrophobicContact CD-CD2 4.04Å; I58-L98 HydrophobicContact CD1-CB 4.42Å; I58-L98 HydrophobicContact CG1-CB 4.07Å; I58-L98 HydrophobicContact CG1-CD1 3.95Å; I58-L98 HydrophobicContact CG1-CD2 4.36Å; I58-L98 HydrophobicContact CG1-CG 4.34Å; L94-L98 WeakPolarHBondContact O-CB 3.35Å; L94-L98 PolarHBondContact O-N 3.03Å; Y95-L98 PolarHBondContact O-N 3.37Å; L96-L98 VanDerWaalsContact C-N 3.29Å; L96-L98 PolarHBondContact O-N 3.35Å; L98-L100 VanDerWaalsContact C-N 3.3Å; L98-L100 PolarHBondContact O-N 3.07Å; L98-S101 PolarHBondContact O-N 3.45Å; L98-S101 PolarHBondContact O-OG 3.33Å; L98-E102 PolarHBondContact O-N 3.26Å |
| 99 | S | 86.8 | Confident | 73.6 | Confident | 51 Ų | 51 | 87.5 Ų | 87.5 | 36% | 0.357 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.3 | -35.8 | 178.4 | -64.5 | 0 | 0 | 0 | 0 | 113.2 | Y95 L96 S101 | Y95-S99 PolarHBondContact O-N 3.07Å; Y95-S99 PolarHBondContact O-OG 3.03Å; L96-S99 PolarHBondContact O-N 3.45Å; S99-S101 VanDerWaalsContact C-N 3.31Å |
| 100 | L | 86.3 | Confident | 71.5 | Confident | 129 Ų | 129 | 93.4 Ų | 93.4 | 68% | 0.675 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -74.5 | -21.3 | 175.6 | -67.1 | 175.9 | 0 | 0 | 0 | 113.1 | L96 L97 L98 E102 | L96-L100 HydrophobicContact CD1-CD1 4.19Å; L96-L100 HydrophobicContact CD1-CG 4.26Å; L96-L100 HydrophobicContact CG-CD1 4.01Å; L96-L100 HydrophobicContact CG-CG 4.43Å; L96-L100 VanDerWaalsContact O-CG 3.31Å; L96-L100 WeakPolarHBondContact O-CG 3.44Å; L96-L100 PolarHBondContact O-N 3.24Å; L97-L100 PolarHBondContact O-N 3.38Å; L98-L100 VanDerWaalsContact C-N 3.3Å; L98-L100 PolarHBondContact O-N 3.07Å; L100-E102 VanDerWaalsContact C-N 3.35Å |
| 101 | S | 82.5 | Confident | 69.1 | Low | 62 Ų | 62 | 97.3 Ų | 97.3 | 43% | 0.434 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -81.8 | -12.6 | 177.9 | 75.8 | 0 | 0 | 0 | 0 | 113.7 | L97 L98 S99 D103 | L97-S101 WeakPolarHBondContact O-CB 3.44Å; L97-S101 PolarHBondContact O-N 2.97Å; L98-S101 PolarHBondContact O-N 3.45Å; L98-S101 PolarHBondContact O-OG 3.33Å; S99-S101 VanDerWaalsContact C-N 3.31Å; S101-D103 PolarHBondContact O-N 3.27Å; S101-D103 VanDerWaalsContact O-N 3.14Å |
| 102 | E | 75.4 | Confident | 66.8 | Low | 140 Ų | 140 | 99.6 Ų | 99.6 | 65% | 0.654 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -65.4 | 111.1 | 174.8 | -69.6 | -174.7 | 170.2 | 0 | 0 | 109.7 | L98 L100 P104 | L98-E102 PolarHBondContact O-N 3.26Å; L100-E102 VanDerWaalsContact C-N 3.35Å; E102-P104 VanDerWaalsContact O-CD 3.27Å; E102-P104 WeakPolarHBondContact O-CD 3.4Å |
| 103 | D | 56.8 | Low | 64.3 | Low | 68 Ų | 68 | 101.5 Ų | 101.5 | 36% | 0.364 | 53% | 0.532 | S | S | . | . | trans | -70.7 | 115.8 | 179.9 | -173.5 | -10.9 | 0 | 0 | 0 | 110.1 | S101 R105 R106 | S101-D103 PolarHBondContact O-N 3.27Å; S101-D103 VanDerWaalsContact O-N 3.14Å; D103-R105 PolarHBondContact O-N 3.37Å; D103-R105 WeakPolarHBondContact OD1-CB 3.44Å; D103-R105 PolarHBondContact OD1-N 3.12Å; D103-R105 IonicContact OD1-NE 3.63Å; D103-R106 HydrophobicContact CB-CG 4.24Å; D103-R106 PolarHBondContact O-N 3.01Å | ||
| 104 | P | 53.1 | Low | 62.1 | Low | 129 Ų | 129 | 105.6 Ų | 105.6 | 84% | 0.838 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -11.7 | 179.2 | 25.4 | -33.1 | 0 | 0 | 0 | 113.4 | E102 | E102-P104 VanDerWaalsContact O-CD 3.27Å; E102-P104 WeakPolarHBondContact O-CD 3.4Å |
| 105 | R | 46.5 | Very low | 59.8 | Low | 215 Ų | 215 | 107.9 Ų | 107.9 | 81% | 0.811 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -6.8 | 176.5 | -61.7 | -176 | -68.3 | -173.6 | -2.3 | 113.8 | D103 Q107 | D103-R105 PolarHBondContact O-N 3.37Å; D103-R105 WeakPolarHBondContact OD1-CB 3.44Å; D103-R105 PolarHBondContact OD1-N 3.12Å; D103-R105 IonicContact OD1-NE 3.63Å; R105-Q107 PolarHBondContact O-N 3.31Å; R105-Q107 VanDerWaalsContact O-N 3.12Å |
| 106 | R | 50 | Low | 57.7 | Low | 125 Ų | 125 | 106.8 Ų | 106.8 | 47% | 0.472 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -77.2 | 98.9 | 168.8 | -80.4 | 174.4 | 169.7 | -104.5 | 4.6 | 108.4 | R64 D103 | R64-R106 VanDerWaalsContact NH2-NH2 3.1Å; D103-R106 HydrophobicContact CB-CG 4.24Å; D103-R106 PolarHBondContact O-N 3.01Å |
| 107 | Q | 40.4 | Very low | 55.7 | Low | 166 Ų | 166 | 108.6 Ų | 108.6 | 78% | 0.776 | 58% | 0.577 | S | S | * | * | trans | -41.5 | 132.1 | 162.5 | -75.2 | -73.5 | -0.3 | 0 | 0 | 108.7 | R105 S109 | R105-Q107 PolarHBondContact O-N 3.31Å; R105-Q107 VanDerWaalsContact O-N 3.12Å; Q107-S109 VanDerWaalsContact C-N 3.26Å; Q107-S109 PolarHBondContact O-N 3.04Å | ||
| 108 | P | 42.7 | Very low | 53.4 | Low | 105 Ų | 105 | 111.2 Ų | 111.2 | 68% | 0.682 | 59% | 0.585 | S | S | * | * | trans | -60 | 99.9 | 172 | 24.7 | -31 | 0 | 0 | 0 | 106.1 | K110 | P108-K110 PolarHBondContact O-N 2.94Å; P108-K110 VanDerWaalsContact O-N 3.14Å | ||
| 109 | S | 34.8 | Very low | 51.3 | Low | 74 Ų | 74 | 111.4 Ų | 111.4 | 52% | 0.517 | 59% | 0.589 | S | S | . | * | trans | -51.5 | 129.8 | 170.9 | 66.3 | 0 | 0 | 0 | 0 | 105.3 | Q107 V111 S112 | Q107-S109 VanDerWaalsContact C-N 3.26Å; Q107-S109 PolarHBondContact O-N 3.04Å; S109-V111 PolarHBondContact O-N 3.36Å; S109-S112 PolarHBondContact O-N 2.78Å | ||
| 110 | K | 41.2 | Very low | 49.7 | Very low | 217 Ų | 217 | 115.3 Ų | 115.3 | 94% | 0.943 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | 11.1 | -179.1 | -68.5 | 177.8 | 176.8 | 177.1 | 0 | 113.9 | P108 | P108-K110 PolarHBondContact O-N 2.94Å; P108-K110 VanDerWaalsContact O-N 3.14Å |
| 111 | V | 39 | Very low | 47.9 | Very low | 107 Ų | 107 | 110.1 Ų | 110.1 | 65% | 0.648 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | -9.7 | 179.8 | -159.8 | 0 | 0 | 0 | 0 | 111.7 | S109 S113 | S109-V111 PolarHBondContact O-N 3.36Å; V111-S113 VanDerWaalsContact C-N 3.26Å; V111-S113 PolarHBondContact O-N 3.22Å; V111-S113 VanDerWaalsContact O-N 3.15Å |
| 112 | S | 40.8 | Very low | 46.2 | Very low | 74 Ų | 74 | 112.3 Ų | 112.3 | 52% | 0.517 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.1 | 39.1 | -178.6 | -164.9 | 0 | 0 | 0 | 0 | 114 | S109 | S109-S112 PolarHBondContact O-N 2.78Š|
| 113 | S | 35.8 | Very low | 45 | Very low | 88 Ų | 88 | 109.4 Ų | 109.4 | 62% | 0.615 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -9.9 | 170.1 | -136.8 | 0 | 0 | 0 | 0 | 112.6 | V111 | V111-S113 VanDerWaalsContact C-N 3.26Å; V111-S113 PolarHBondContact O-N 3.22Å; V111-S113 VanDerWaalsContact O-N 3.15Å |
| 114 | Y | 42.1 | Very low | 44.5 | Very low | 154 Ų | 154 | 113.2 Ų | 113.2 | 60% | 0.604 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -88.3 | -17.6 | -179.8 | -63.4 | -79.4 | 0 | 0 | 0 | 113.7 | T116 L117 F118 | Y114-T116 VanDerWaalsContact C-N 3.28Å; Y114-T116 PolarHBondContact O-N 3.31Å; Y114-L117 HydrophobicContact CD1-CD1 4.43Å; Y114-L117 PolarHBondContact O-N 3.29Å; Y114-L117 VanDerWaalsContact O-N 3.1Å; Y114-F118 HydrophobicContact CD1-CE2 4.37Å; Y114-F118 WeakPolarHBondContact O-CD2 2.98Å; Y114-F118 PolarHBondContact O-N 2.72Å |
| 115 | A | 43 | Very low | 44.1 | Very low | 57 Ų | 57 | 114.3 Ų | 114.3 | 47% | 0.471 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67 | -30.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L117 A119 | A115-L117 PolarHBondContact O-N 3.13Å; A115-A119 PolarHBondContact O-N 3.06Å |
| 116 | T | 46.8 | Very low | 44 | Very low | 74 Ų | 74 | 108 Ų | 108 | 45% | 0.454 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.3 | -31.4 | 171.2 | -46.5 | 0 | 0 | 0 | 0 | 111.8 | Y114 Q120 | Y114-T116 VanDerWaalsContact C-N 3.28Å; Y114-T116 PolarHBondContact O-N 3.31Å; T116-Q120 VanDerWaalsContact CG2-NE2 3.31Å; T116-Q120 VanDerWaalsContact O-CG 3.29Å; T116-Q120 WeakPolarHBondContact O-CG 3.36Å; T116-Q120 PolarHBondContact O-OE1 3.02Å; T116-Q120 VanDerWaalsContact O-OE1 3.14Å |
| 117 | L | 46.3 | Very low | 43.6 | Very low | 128 Ų | 128 | 107.5 Ų | 107.5 | 67% | 0.67 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -90.8 | -28 | -174.1 | -69.9 | 171.9 | 0 | 0 | 0 | 114.2 | Y114 A115 | Y114-L117 HydrophobicContact CD1-CD1 4.43Å; Y114-L117 PolarHBondContact O-N 3.29Å; Y114-L117 VanDerWaalsContact O-N 3.1Å; A115-L117 PolarHBondContact O-N 3.13Å |
| 118 | F | 42.6 | Very low | 43.4 | Very low | 154 Ų | 154 | 105.4 Ų | 105.4 | 68% | 0.675 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -115.2 | -4.9 | -170.2 | -69.4 | -70.6 | 0 | 0 | 0 | 115.4 | Y114 | Y114-F118 HydrophobicContact CD1-CE2 4.37Å; Y114-F118 WeakPolarHBondContact O-CD2 2.98Å; Y114-F118 PolarHBondContact O-N 2.72Å |
| 119 | A | 45.2 | Very low | 43 | Very low | 23 Ų | 23 | 104.9 Ų | 104.9 | 19% | 0.19 | 58% | 0.58 | C | S | . | * | S | Bend | trans | -145.1 | 11.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | K57 A115 A121 | K57-A119 HydrophobicContact CD-CB 4.49Å; K57-A119 WeakPolarHBondContact CE-O 3.48Å; K57-A119 PolarHBondContact NZ-O 2.66Å; A115-A119 PolarHBondContact O-N 3.06Å; A119-A121 PolarHBondContact O-N 3.32Å |
| 120 | Q | 52 | Low | 43 | Very low | 132 Ų | 132 | 107.1 Ų | 107.1 | 62% | 0.617 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 120.1 | 168.3 | -73.6 | -174.6 | -25.1 | 0 | 0 | 108 | T116 | T116-Q120 VanDerWaalsContact CG2-NE2 3.31Å; T116-Q120 VanDerWaalsContact O-CG 3.29Å; T116-Q120 WeakPolarHBondContact O-CG 3.36Å; T116-Q120 PolarHBondContact O-OE1 3.02Å; T116-Q120 VanDerWaalsContact O-OE1 3.14Å |
| 121 | A | 48.4 | Very low | 42.5 | Very low | 20 Ų | 20 | 106.6 Ų | 106.6 | 17% | 0.165 | 59% | 0.587 | C | S | . | * | P | Polyproline II helix | trans | -65.7 | 143.3 | 171 | 0 | 0 | 0 | 0 | 0 | 108.2 | V47 L53 A119 | V47-A121 HydrophobicContact CB-CB 4.48Å; V47-A121 HydrophobicContact CG1-CB 3Å; L53-A121 HydrophobicContact CD2-CB 3.97Å; A119-A121 PolarHBondContact O-N 3.32Å |
| 122 | L | 46.3 | Very low | 42.1 | Very low | 108 Ų | 108 | 112.1 Ų | 112.1 | 57% | 0.565 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 134.3 | -164.8 | -69.2 | 166 | 0 | 0 | 0 | 110.2 | E48 R124 | E48-L122 HydrophobicContact CB-CB 4.49Å; E48-L122 HydrophobicContact CG-CB 4.09Å; E48-L122 PolarHBondContact N-O 3.36Å; E48-L122 VanDerWaalsContact N-O 3.07Å; L122-R124 PolarHBondContact O-N 3.42Å |
| 123 | P | 51.1 | Low | 41.6 | Very low | 80 Ų | 80 | 119 Ų | 119 | 52% | 0.519 | 61% | 0.614 | S | S | . | * | B | Isolated β-bridge | trans | -54.5 | 130.7 | 168 | -23.7 | 33.7 | 0 | 0 | 0 | 109.3 | D125 | P123-D125 PolarHBondContact O-N 3.07Å |
| 124 | R | 45.6 | Very low | 41.4 | Very low | 147 Ų | 147 | 119 Ų | 119 | 56% | 0.555 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -65.7 | -11.2 | -176.3 | -149.4 | -165.2 | -179.6 | -146.7 | -2.3 | 113.3 | T46 L122 A126 H127 | T46-R124 PolarHBondContact O-N 3.06Å; L122-R124 PolarHBondContact O-N 3.42Å; R124-A126 PolarHBondContact O-N 3.28Å; R124-H127 PolarHBondContact O-N 3.12Å |
| 125 | D | 46.4 | Very low | 40.7 | Very low | 152 Ų | 152 | 122.6 Ų | 122.6 | 81% | 0.813 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -64.5 | -9.6 | -177.5 | -54 | -40.7 | 0 | 0 | 0 | 113.9 | P123 H127 | P123-D125 PolarHBondContact O-N 3.07Å; D125-H127 VanDerWaalsContact C-N 3.34Å |
| 126 | A | 43.4 | Very low | 40.1 | Very low | 83 Ų | 83 | 125.2 Ų | 125.2 | 69% | 0.686 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -78 | -11.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R124 | R124-A126 PolarHBondContact O-N 3.28Š|
| 127 | H | 41.8 | Very low | 39.4 | Very low | 114 Ų | 114 | 130.9 Ų | 130.9 | 53% | 0.528 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -102.7 | 103.7 | 178.6 | -67.5 | -70.7 | 0 | 0 | 0 | 111.1 | E48 R124 D125 T129 | E48-H127 IonicContact OE1-CD2 3.29Å; E48-H127 IonicContact OE1-CE1 2.69Å; E48-H127 IonicContact OE1-NE2 2.68Å; E48-H127 PolarHBondContact OE1-NE2 2.79Å; R124-H127 PolarHBondContact O-N 3.12Å; D125-H127 VanDerWaalsContact C-N 3.34Å; H127-T129 PolarHBondContact O-N 3.26Å |
| 128 | S | 35.3 | Very low | 38.7 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 85% | 0.853 | 67% | 0.671 | S | S | * | * | trans | -63.5 | 84.3 | 174.7 | -55.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 129 | T | 36 | Very low | 38.1 | Very low | 94 Ų | 94 | 131.6 Ų | 131.6 | 58% | 0.577 | 68% | 0.68 | S | S | * | * | trans | -147.9 | 103.2 | 160.1 | 30.8 | 0 | 0 | 0 | 0 | 110.5 | H127 Y131 | H127-T129 PolarHBondContact O-N 3.26Å; T129-Y131 PolarHBondContact O-N 2.76Å; T129-Y131 VanDerWaalsContact O-N 3.1Å | ||
| 130 | P | 34.9 | Very low | 37.4 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 79% | 0.792 | 71% | 0.706 | S | S | * | * | trans | -79.2 | 93.4 | 171.5 | 30.6 | -28.4 | 0 | 0 | 0 | 109.1 | Y132 | P130-Y132 PolarHBondContact O-N 3.1Š| ||
| 131 | Y | 29.7 | Very low | 36.2 | Very low | 206 Ų | 206 | 138 Ų | 138 | 81% | 0.808 | 72% | 0.721 | S | S | * | * | trans | -85.4 | 95.1 | 164.3 | -99.6 | -86 | 0 | 0 | 0 | 109 | T129 Y133 | T129-Y131 PolarHBondContact O-N 2.76Å; T129-Y131 VanDerWaalsContact O-N 3.1Å; Y131-Y133 PolarHBondContact O-N 3.37Å | ||
| 132 | Y | 29.7 | Very low | 35 | Very low | 223 Ų | 223 | 141.6 Ų | 141.6 | 88% | 0.875 | 74% | 0.744 | S | S | * | * | trans | -69.7 | 110.3 | 166.4 | -105.9 | -94.4 | 0 | 0 | 0 | 109 | P130 | P130-Y132 PolarHBondContact O-N 3.1Š| ||
| 133 | Y | 30.5 | Very low | 34.3 | Very low | 219 Ų | 219 | 147.5 Ų | 147.5 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | trans | -91 | 113.1 | 154.7 | -113.7 | -86.1 | 0 | 0 | 0 | 107.7 | Y131 R135 | Y131-Y133 PolarHBondContact O-N 3.37Å; Y133-R135 PolarHBondContact O-N 3.14Å | ||
| 134 | A | 31.8 | Very low | 33.2 | Very low | 86 Ų | 86 | 151.6 Ų | 151.6 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 123.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 135 | R | 27 | Very low | 32.2 | Very low | 231 Ų | 231 | 151 Ų | 151 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 125.5 | 171.6 | -177.2 | 179.7 | -172.4 | 165.5 | 2.1 | 109.1 | Y133 Q137 | Y133-R135 PolarHBondContact O-N 3.14Å; R135-Q137 PolarHBondContact O-N 2.94Å |
| 136 | P | 30.3 | Very low | 31.2 | Very low | 112 Ų | 112 | 153.9 Ų | 153.9 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 120.7 | 169.7 | -16.4 | 29.7 | 0 | 0 | 0 | 109.4 | T138 | P136-T138 PolarHBondContact O-N 3.22Š|
| 137 | Q | 33.4 | Very low | 30.4 | Very low | 193 Ų | 193 | 155.1 Ų | 155.1 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 119.2 | 171.3 | -67.3 | -173.1 | -3.8 | 0 | 0 | 109.2 | R135 | R135-Q137 PolarHBondContact O-N 2.94Š|
| 138 | T | 30.4 | Very low | 29.7 | Very low | 132 Ų | 132 | 154.8 Ų | 154.8 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -105.4 | 100.4 | 161.8 | 53.5 | 0 | 0 | 0 | 0 | 109.3 | P136 | P136-T138 PolarHBondContact O-N 3.22Š| ||
| 139 | L | 30.6 | Very low | 29.2 | Very low | 165 Ų | 165 | 158 Ų | 158 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | 53.2 | 144.6 | 142.4 | -69.5 | 165 | 0 | 0 | 0 | 122.4 | ||||
| 140 | P | 29.9 | Very low | 28.7 | Very low | 113 Ų | 113 | 159.3 Ų | 159.3 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | trans | -91 | 143.1 | -168.1 | 36.4 | -31.5 | 0 | 0 | 0 | 113 | ||||
| 141 | L | 26.9 | Very low | 28.3 | Very low | 177 Ų | 177 | 158.2 Ų | 158.2 | 93% | 0.927 | 82% | 0.816 | S | S | * | * | trans | -93.9 | 109.4 | 165 | -91.2 | 159.6 | 0 | 0 | 0 | 109 | ||||
| 142 | S | 25.1 | Very low | 28.2 | Very low | 94 Ų | 94 | 157.5 Ų | 157.5 | 66% | 0.657 | 82% | 0.82 | S | S | * | * | trans | -68.9 | 127.6 | 168.9 | -179.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 143 | Y | 30.3 | Very low | 28 | Very low | 233 Ų | 233 | 152.3 Ų | 152.3 | 91% | 0.914 | 82% | 0.816 | S | S | * | * | trans | -133.6 | 120.7 | 149.7 | -111 | -88 | 0 | 0 | 0 | 106.7 | ||||
| 144 | Q | 29.3 | Very low | 28 | Very low | 166 Ų | 166 | 147.8 Ų | 147.8 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -105.2 | 122 | -179.9 | 178.3 | 157.6 | -13.8 | 0 | 0 | 107.6 | ||||
| 145 | D | 23.1 | Very low | 27.8 | Very low | 134 Ų | 134 | 147.7 Ų | 147.7 | 72% | 0.717 | 83% | 0.825 | S | S | * | * | -161.9 | 134.8 | 120.2 | -138 | -9.2 | 0 | 0 | 0 | 115.1 | |||||
| 146 | R | 25.9 | Very low | 27.8 | Very low | 213 Ų | 213 | 142.2 Ų | 142.2 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | 36.5 | 115.7 | 148.8 | -97.1 | 169.5 | 160.2 | 172.8 | -6 | 125.1 | ||||
| 147 | S | 25.6 | Very low | 27.9 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 76% | 0.762 | 83% | 0.829 | S | S | * | * | 67.2 | 107.1 | 124.7 | 59.2 | 0 | 0 | 0 | 0 | 121 | |||||
| 148 | A | 28 | Very low | 27.6 | Very low | 106 Ų | 106 | 138 Ų | 138 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | -175.5 | 132.2 | 120.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 149 | Q | 25.4 | Very low | 27.6 | Very low | 191 Ų | 191 | 137.6 Ų | 137.6 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | trans | -81.7 | 158.7 | 175.8 | -71.9 | 168 | -27.2 | 0 | 0 | 112.2 | ||||
| 150 | S | 25.8 | Very low | 27.6 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | 132.3 | 141.9 | 154.7 | 64.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 151 | A | 26.6 | Very low | 27.5 | Very low | 98 Ų | 98 | 133.3 Ų | 133.3 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | cis | -163.1 | 156.5 | -12.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 152 | Q | 26.6 | Very low | 27.6 | Very low | 192 Ų | 192 | 133.1 Ų | 133.1 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | trans | -84.2 | 151.8 | 176.3 | -66.1 | 170.8 | -23.7 | 0 | 0 | 112.1 | ||||
| 153 | S | 26.3 | Very low | 27.6 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | trans | -148.4 | 109.4 | 143.6 | 55.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 154 | S | 28.8 | Very low | 27.6 | Very low | 124 Ų | 124 | 128 Ų | 128 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | 79.8 | 116.9 | 74 | -75 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 155 | G | 27.6 | Very low | 27.7 | Very low | 85 Ų | 85 | 128.3 Ų | 128.3 | 88% | 0.876 | 82% | 0.822 | S | S | * | * | trans | 161.5 | 69.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 156 | S | 28.2 | Very low | 27.9 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | trans | -96 | 131.9 | 170.9 | 170.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 157 | V | 32.3 | Very low | 28 | Very low | 145 Ų | 145 | 122.3 Ų | 122.3 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | trans | -130.7 | 108.1 | 151.7 | -75.7 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 158 | G | 27.9 | Very low | 28 | Very low | 70 Ų | 70 | 123 Ų | 123 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | 58.2 | 113.3 | 97 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 159 | S | 29.1 | Very low | 27.9 | Very low | 125 Ų | 125 | 122 Ų | 122 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | cis | -165.2 | 154 | 30.8 | 179.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 160 | S | 31.7 | Very low | 28 | Very low | 123 Ų | 123 | 120.7 Ų | 120.7 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -114.4 | 147.7 | 168.6 | -69.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 161 | G | 26.9 | Very low | 28.1 | Very low | 65 Ų | 65 | 120.1 Ų | 120.1 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | trans | 135.8 | 145.8 | 153.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 162 | I | 28.8 | Very low | 28.1 | Very low | 173 Ų | 173 | 119 Ų | 119 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | cis | -173.8 | 151.2 | -1.3 | 26 | 168.9 | 0 | 0 | 0 | 105.6 | ||||
| 163 | S | 25.5 | Very low | 28.9 | Very low | 108 Ų | 108 | 115.8 Ų | 115.8 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -76.3 | 154.4 | 165 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 164 | S | 30.3 | Very low | 28.9 | Very low | 112 Ų | 112 | 115 Ų | 115 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | 81.2 | 115.3 | 141.1 | -50.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 165 | I | 30.6 | Very low | 29.5 | Very low | 172 Ų | 172 | 115.1 Ų | 115.1 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | -23.1 | 138.7 | 132.8 | -63 | 159.8 | 0 | 0 | 0 | 111.9 | ||||
| 166 | G | 28.1 | Very low | 29.3 | Very low | 61 Ų | 61 | 115.1 Ų | 115.1 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | cis | 176.3 | 173.3 | 2.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 167 | L | 27.3 | Very low | 30 | Very low | 160 Ų | 160 | 114.7 Ų | 114.7 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | 76.7 | 110 | 162.5 | -81.4 | 88.2 | 0 | 0 | 0 | 121.7 | ||||
| 168 | C | 26 | Very low | 29.8 | Very low | 122 Ų | 122 | 116.4 Ų | 116.4 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | 63.4 | 133.4 | 127.6 | -60.2 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 169 | A | 26.1 | Very low | 29.7 | Very low | 87 Ų | 87 | 117 Ų | 117 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | cis | -169.2 | 152.4 | 25.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 170 | L | 28.3 | Very low | 29.6 | Very low | 162 Ų | 162 | 118.1 Ų | 118.1 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | 68.6 | 115.4 | 141.7 | -89.6 | 91.1 | 0 | 0 | 0 | 124 | ||||
| 171 | S | 26.5 | Very low | 29.7 | Very low | 110 Ų | 110 | 119.1 Ų | 119.1 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | 98 | 116.6 | 129.5 | -54.8 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 172 | G | 27.1 | Very low | 30.3 | Very low | 75 Ų | 75 | 121.8 Ų | 121.8 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -90.7 | -145.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 173 | P | 42.8 | Very low | 30.2 | Very low | 124 Ų | 124 | 116.7 Ų | 116.7 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | cis | -137 | 159.5 | -16 | 39.1 | -21.4 | 0 | 0 | 0 | 116.6 | ||||
| 174 | A | 26.9 | Very low | 30.3 | Very low | 95 Ų | 95 | 121 Ų | 121 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | 55.7 | 172.2 | 144.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 175 | P | 41.5 | Very low | 30 | Very low | 127 Ų | 127 | 120.1 Ų | 120.1 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | cis | -131 | -177.6 | -10.2 | 28.4 | -4.1 | 0 | 0 | 0 | 115.6 | ||||
| 176 | A | 24.2 | Very low | 29.7 | Very low | 86 Ų | 86 | 119.1 Ų | 119.1 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | trans | -68 | -152.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 177 | P | 42.8 | Very low | 29.5 | Very low | 107 Ų | 107 | 125.5 Ų | 125.5 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | cis | -154.4 | -166.9 | 8.3 | 28.5 | 2.7 | 0 | 0 | 0 | 117.8 | ||||
| 178 | Q | 27.8 | Very low | 29.3 | Very low | 181 Ų | 181 | 122.2 Ų | 122.2 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | 91.8 | 141.6 | 142.9 | -61.5 | -152.3 | -19.5 | 0 | 0 | 119.9 | ||||
| 179 | S | 25.3 | Very low | 29.9 | Very low | 82 Ų | 82 | 122.6 Ų | 122.6 | 57% | 0.573 | 77% | 0.774 | S | S | * | * | cis | 174.2 | 142.7 | 5.2 | 156.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 180 | L | 27.4 | Very low | 29.9 | Very low | 149 Ų | 149 | 121.7 Ų | 121.7 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | 53.8 | 152 | 133.2 | -53.3 | 173.8 | 0 | 0 | 0 | 120.1 | ||||
| 181 | L | 32.8 | Very low | 29.9 | Very low | 144 Ų | 144 | 121.6 Ų | 121.6 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | cis | -179.1 | -170.6 | 4.3 | -113.5 | 176.9 | 0 | 0 | 0 | 108.7 | ||||
| 182 | P | 40.5 | Very low | 30 | Very low | 121 Ų | 121 | 119.3 Ų | 119.3 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | -131.2 | -166.6 | -135.1 | 45.9 | -25.7 | 0 | 0 | 0 | 116.5 | ||||
| 183 | G | 25.5 | Very low | 29.9 | Very low | 66 Ų | 66 | 123.7 Ų | 123.7 | 68% | 0.68 | 78% | 0.778 | S | S | * | * | trans | 142.9 | 132.8 | 138.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 184 | Q | 28.3 | Very low | 29.1 | Very low | 199 Ų | 199 | 123.2 Ų | 123.2 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | trans | 64.8 | 168 | 143.7 | -64.9 | -172.4 | -19.7 | 0 | 0 | 123.4 | ||||
| 185 | S | 23.3 | Very low | 29.1 | Very low | 93 Ų | 93 | 126.2 Ų | 126.2 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | -169.8 | 149 | -70.5 | 52.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 186 | N | 25.2 | Very low | 28.5 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | 66.1 | 128.5 | 153.6 | -69.4 | -3.4 | 0 | 0 | 0 | 124.6 | ||||
| 187 | Q | 23.6 | Very low | 28.8 | Very low | 194 Ų | 194 | 135 Ų | 135 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | 169 | 152.8 | 103.8 | -88.6 | -167.8 | 29.7 | 0 | 0 | 114 | |||||
| 188 | A | 23.9 | Very low | 28.1 | Very low | 91 Ų | 91 | 137.2 Ų | 137.2 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -89.2 | -161.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 189 | P | 37.3 | Very low | 28.1 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | cis | -145.4 | 176.6 | 6.7 | 41 | -19.3 | 0 | 0 | 0 | 118.8 | ||||
| 190 | G | 27 | Very low | 28.2 | Very low | 68 Ų | 68 | 135.2 Ų | 135.2 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | 126.4 | 122.3 | 132.7 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 191 | V | 29.3 | Very low | 28.4 | Very low | 160 Ų | 160 | 134 Ų | 134 | 97% | 0.97 | 79% | 0.791 | S | S | * | * | trans | 80 | 132.7 | 150.2 | -161.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 192 | G | 27 | Very low | 28.5 | Very low | 62 Ų | 62 | 138.3 Ų | 138.3 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | cis | 156.5 | 117.8 | 1.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 193 | D | 26.5 | Very low | 28.4 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | 34.5 | 129.6 | 154.4 | -58.7 | -33.5 | 0 | 0 | 0 | 125.1 | ||||
| 194 | C | 24.5 | Very low | 28.5 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | 153.7 | 142.7 | 90.6 | -146.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 195 | L | 27.3 | Very low | 28.6 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | trans | 78.8 | 110.6 | 155.3 | -123.1 | 85.8 | 0 | 0 | 0 | 121.5 | ||||
| 196 | R | 29.6 | Very low | 28.9 | Very low | 230 Ų | 230 | 144.9 Ų | 144.9 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | 160.5 | 126.5 | 104.9 | -162 | 173 | -173.2 | 165.4 | 1 | 113.1 | |||||
| 197 | Q | 30.3 | Very low | 29.3 | Very low | 169 Ų | 169 | 145.2 Ų | 145.2 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -29.4 | 161.6 | 155.7 | -78.7 | 165.6 | -23.3 | 0 | 0 | 115.2 | ||||
| 198 | Q | 27.1 | Very low | 29.6 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 71% | 0.71 | 80% | 0.803 | S | S | * | * | cis | 168.3 | 158.3 | -7.7 | -174.4 | 175.2 | -96.8 | 0 | 0 | 104 | ||||
| 199 | L | 29.4 | Very low | 29.8 | Very low | 163 Ų | 163 | 142.3 Ų | 142.3 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | 82.5 | 138 | 168.9 | -50 | 165.6 | 0 | 0 | 0 | 115 | ||||
| 200 | G | 26.5 | Very low | 29.2 | Very low | 59 Ų | 59 | 144.2 Ų | 144.2 | 61% | 0.608 | 81% | 0.805 | S | S | * | * | cis | -179.4 | 140.3 | 4 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 201 | S | 32 | Very low | 29.4 | Very low | 124 Ų | 124 | 149 Ų | 149 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | 61.3 | 120.9 | 92.7 | -52.7 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 202 | R | 34.2 | Very low | 29.6 | Very low | 234 Ų | 234 | 146.4 Ų | 146.4 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -13.3 | 148.6 | 149.4 | -60.2 | 176.2 | 175.3 | -96.1 | -0.6 | 116.4 | ||||
| 203 | L | 38 | Very low | 29.5 | Very low | 165 Ų | 165 | 148 Ų | 148 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | 169.1 | 134.8 | 120.2 | -85.9 | 173.3 | 0 | 0 | 0 | 109.7 | |||||
| 204 | A | 29.2 | Very low | 29.5 | Very low | 84 Ų | 84 | 145 Ų | 145 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | 76 | 130.1 | 106.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 205 | W | 28.7 | Very low | 29.7 | Very low | 252 Ų | 252 | 149.1 Ų | 149.1 | 96% | 0.955 | 80% | 0.797 | S | S | * | * | trans | -109.2 | 121.1 | 170.2 | -80.4 | 109.9 | 0 | 0 | 0 | 110.8 | ||||
| 206 | T | 29.6 | Very low | 29.6 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 71% | 0.712 | 79% | 0.791 | S | S | * | * | trans | -147.3 | 157.9 | 159.2 | 45.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 207 | L | 33.9 | Very low | 29.4 | Very low | 157 Ų | 157 | 140.8 Ų | 140.8 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | 98.9 | 142.6 | 166.9 | -49.6 | 175.6 | 0 | 0 | 0 | 114.6 | ||||
| 208 | T | 30.2 | Very low | 29.3 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | cis | -161.2 | 166.7 | 33 | -32 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 209 | A | 28.2 | Very low | 29.5 | Very low | 87 Ų | 87 | 136.5 Ų | 136.5 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | trans | -85.2 | 174.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 210 | N | 25 | Very low | 29.6 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 92% | 0.92 | 79% | 0.789 | S | S | * | * | trans | -156 | 147.8 | 141.3 | -116.7 | -2.4 | 0 | 0 | 0 | 113.8 | ||||
| 211 | Q | 30.3 | Very low | 29.6 | Very low | 168 Ų | 168 | 139.2 Ų | 139.2 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -86.7 | -174.4 | -170.2 | -125.6 | -148.9 | 17.6 | 0 | 0 | 114 | ||||
| 212 | P | 34.1 | Very low | 29.6 | Very low | 105 Ų | 105 | 140 Ų | 140 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | cis | -148.3 | 167.1 | 35.7 | 37.5 | -12.6 | 0 | 0 | 0 | 121.8 | ||||
| 213 | S | 24.5 | Very low | 30 | Very low | 96 Ų | 96 | 134 Ų | 134 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | trans | 32.4 | 151.4 | 150 | 72.3 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 214 | S | 26.8 | Very low | 29.5 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | cis | -172 | 169 | 35.7 | -50.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 215 | Q | 29.6 | Very low | 29.6 | Very low | 200 Ų | 200 | 132.4 Ų | 132.4 | 94% | 0.935 | 79% | 0.79 | S | S | * | * | trans | 100.6 | 148.7 | 154.2 | -68 | -170.2 | 0.6 | 0 | 0 | 122.5 | ||||
| 216 | A | 23.6 | Very low | 29.8 | Very low | 85 Ų | 85 | 125.7 Ų | 125.7 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | trans | -121.5 | 165.3 | -144.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 217 | T | 26 | Very low | 29.8 | Very low | 128 Ų | 128 | 126.1 Ų | 126.1 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | 155.6 | 127.6 | 126.5 | 44.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 218 | T | 29 | Very low | 30 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | 43.2 | 143.2 | 142.2 | 70.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 219 | S | 30.9 | Very low | 29.9 | Very low | 101 Ų | 101 | 130.2 Ų | 130.2 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | cis | -174.6 | 164 | 3.7 | 51.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 220 | K | 31.4 | Very low | 30.1 | Very low | 206 Ų | 206 | 134.5 Ų | 134.5 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | trans | 98.5 | 94.9 | 159.7 | -57.6 | -164.8 | 178.8 | -177 | 0 | 121.2 | ||||
| 221 | G | 26.3 | Very low | 30.7 | Very low | 73 Ų | 73 | 132.8 Ų | 132.8 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | 76.2 | 82.9 | 109.9 | 0 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 222 | V | 31.6 | Very low | 30.7 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | 38.3 | 153.1 | 117 | -169.7 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 223 | P | 43.4 | Very low | 30.7 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | cis | -132.5 | 159.5 | -14.1 | 27.7 | -6.8 | 0 | 0 | 0 | 118.3 | ||||
| 224 | S | 27.9 | Very low | 31.2 | Very low | 112 Ų | 112 | 141 Ų | 141 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | 34.2 | 125.4 | 127.1 | -153.4 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 225 | A | 30.2 | Very low | 31.6 | Very low | 103 Ų | 103 | 148 Ų | 148 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | -157 | 116.8 | 134.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 226 | V | 33.6 | Very low | 31.7 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 67% | 0.673 | 80% | 0.802 | S | S | * | * | trans | -66 | 137.7 | 167.4 | 158.8 | 0 | 0 | 0 | 0 | 110.5 | R228 | V226-R228 HydrophobicContact CG1-CG 3.89Š| ||
| 227 | S | 29.8 | Very low | 32 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -131.5 | 114 | 153.8 | -154 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 228 | R | 37.2 | Very low | 32 | Very low | 208 Ų | 208 | 146.7 Ų | 146.7 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -77 | 148.2 | 174.5 | -66.3 | 167.3 | -105.2 | 167.6 | -5.5 | 108.4 | V226 | V226-R228 HydrophobicContact CG1-CG 3.89Š| ||
| 229 | N | 29 | Very low | 32.5 | Very low | 172 Ų | 172 | 146.7 Ų | 146.7 | 92% | 0.92 | 81% | 0.808 | S | S | * | * | trans | -138.9 | 102.6 | 148.7 | -96.2 | -16.5 | 0 | 0 | 0 | 109.9 | ||||
| 230 | M | 32.6 | Very low | 32.6 | Very low | 177 Ų | 177 | 145 Ų | 145 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -99.3 | 141.5 | 165.5 | -162.4 | 87.2 | 158.8 | 0 | 0 | 107.5 | ||||
| 231 | T | 37 | Very low | 32.8 | Very low | 136 Ų | 136 | 139.1 Ų | 139.1 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | -46.6 | 140.9 | 176.6 | -24.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 232 | R | 30.8 | Very low | 33.6 | Very low | 250 Ų | 250 | 140.6 Ų | 140.6 | 94% | 0.943 | 80% | 0.799 | S | S | * | * | trans | -143.9 | 135.7 | 154.2 | -151.6 | 175.9 | -172.7 | 176.2 | 2.7 | 112.3 | ||||
| 233 | S | 32.8 | Very low | 34.4 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -90.8 | 152.1 | -176.3 | 178.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 234 | R | 35 | Very low | 35 | Very low | 184 Ų | 184 | 143.1 Ų | 143.1 | 69% | 0.694 | 79% | 0.793 | S | S | * | * | trans | 78.4 | 118.1 | 147.8 | -162.5 | 171.2 | -175.1 | -119.5 | 1.8 | 121 | E236 | R234-E236 IonicContact CZ-OE1 2.76Å; R234-E236 IonicContact CZ-OE2 3.71Å; R234-E236 IonicContact NE-OE1 3.86Å; R234-E236 IonicContact NH2-OE1 2.76Å; R234-E236 PolarHBondContact NH2-OE1 2.66Å; R234-E236 IonicContact NH2-OE2 3.88Å; R234-E236 PolarHBondContact NH2-OE2 3.1Å | ||
| 235 | R | 35.4 | Very low | 36.8 | Very low | 252 Ų | 252 | 139 Ų | 139 | 95% | 0.951 | 76% | 0.762 | S | S | * | * | -147.4 | 137.8 | 121.4 | -79.8 | -161.9 | -171.3 | -177.5 | 2.7 | 111 | |||||
| 236 | E | 32.9 | Very low | 38.8 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 73% | 0.729 | 75% | 0.747 | S | S | * | * | trans | -73.2 | 152.3 | 179.4 | -76.4 | 158.3 | 159.9 | 0 | 0 | 113.1 | R234 | R234-E236 IonicContact CZ-OE1 2.76Å; R234-E236 IonicContact CZ-OE2 3.71Å; R234-E236 IonicContact NE-OE1 3.86Å; R234-E236 IonicContact NH2-OE1 2.76Å; R234-E236 PolarHBondContact NH2-OE1 2.66Å; R234-E236 IonicContact NH2-OE2 3.88Å; R234-E236 PolarHBondContact NH2-OE2 3.1Å | ||
| 237 | G | 29.1 | Very low | 40.9 | Very low | 76 Ų | 76 | 136.6 Ų | 136.6 | 78% | 0.784 | 73% | 0.732 | S | S | * | * | trans | 152.3 | 80.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 238 | D | 26.8 | Very low | 43.3 | Very low | 153 Ų | 153 | 132.2 Ų | 132.2 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | trans | 93.6 | 119.7 | 145.1 | -136.7 | 6.8 | 0 | 0 | 0 | 122.8 | ||||
| 239 | T | 39 | Very low | 45.4 | Very low | 130 Ų | 130 | 123.1 Ų | 123.1 | 80% | 0.798 | 67% | 0.672 | S | S | * | * | trans | 21.3 | 109.6 | 162.6 | 31.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 240 | G | 32.8 | Very low | 48 | Very low | 66 Ų | 66 | 114.9 Ų | 114.9 | 68% | 0.68 | 63% | 0.629 | S | S | * | * | trans | 162.3 | 74.1 | 152.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T242 | G240-T242 PolarHBondContact O-N 3.23Š| ||
| 241 | G | 35.9 | Very low | 50.5 | Low | 81 Ų | 81 | 106.5 Ų | 106.5 | 84% | 0.835 | 59% | 0.587 | S | S | * | * | trans | -51.9 | 100.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M243 | G241-M243 PolarHBondContact O-N 3.43Š| ||
| 242 | T | 42 | Very low | 52.9 | Low | 105 Ų | 105 | 104.5 Ų | 104.5 | 64% | 0.644 | 56% | 0.564 | S | S | * | * | trans | -67.7 | 85.7 | 167.5 | 19.5 | 0 | 0 | 0 | 0 | 107.8 | G240 E244 | G240-T242 PolarHBondContact O-N 3.23Å; T242-E244 PolarHBondContact O-N 3.34Å | ||
| 243 | M | 49.4 | Very low | 55.5 | Low | 133 Ų | 133 | 92.9 Ų | 92.9 | 66% | 0.655 | 52% | 0.521 | S | S | * | . | trans | -65.3 | 110.8 | 178.9 | -152.1 | 175.6 | 166.5 | 0 | 0 | 107.8 | G241 I245 | G241-M243 PolarHBondContact O-N 3.43Å; M243-I245 PolarHBondContact O-N 3.42Å | ||
| 244 | E | 56.7 | Low | 58.1 | Low | 169 Ų | 169 | 87.8 Ų | 87.8 | 79% | 0.79 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 118 | 166.4 | -69.3 | -172.1 | 163.9 | 0 | 0 | 107.8 | T242 T246 | T242-E244 PolarHBondContact O-N 3.34Å; E244-T246 PolarHBondContact O-N 3.41Å |
| 245 | I | 64.3 | Low | 60.6 | Low | 27 Ų | 27 | 79 Ų | 79 | 14% | 0.138 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 118.3 | -177.8 | -68.9 | 149.7 | 0 | 0 | 0 | 108.3 | M243 A249 L250 N265 A281 L283 | M243-I245 PolarHBondContact O-N 3.42Å; I245-A249 HydrophobicContact CG2-CB 4.23Å; I245-L250 HydrophobicContact CG2-CD2 4.11Å; I245-L250 HydrophobicContact CG2-CG 3.81Å; I245-N265 WeakPolarHBondContact CD1-OD1 3.43Å; I245-A281 HydrophobicContact CD1-CB 3.13Å; I245-L283 HydrophobicContact CB-CD2 3.81Å; I245-L283 HydrophobicContact CB-CG 4.29Å; I245-L283 HydrophobicContact CD1-CD1 4.19Å; I245-L283 HydrophobicContact CD1-CG 4.16Å; I245-L283 HydrophobicContact CG2-CD2 3.83Å |
| 246 | T | 72.3 | Confident | 63.1 | Low | 87 Ų | 87 | 72 Ų | 72 | 53% | 0.534 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 151.7 | 175.4 | 55.5 | 0 | 0 | 0 | 0 | 111.2 | E244 A248 A249 L250 | E244-T246 PolarHBondContact O-N 3.41Å; T246-A248 PolarHBondContact O-N 3.33Å; T246-A249 WeakPolarHBondContact O-CB 3.29Å; T246-A249 PolarHBondContact O-N 3.07Å; T246-L250 PolarHBondContact O-N 3.2Å |
| 247 | E | 78.8 | Confident | 65.7 | Low | 76 Ų | 76 | 64.6 Ų | 64.6 | 36% | 0.355 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -56 | -39.7 | 177.7 | -176.5 | 172.9 | -179.4 | 0 | 0 | 111.8 | A249 L250 V251 T363 L364 | E247-A249 VanDerWaalsContact C-N 3.29Å; E247-A249 PolarHBondContact O-N 3.06Å; E247-L250 WeakPolarHBondContact O-CB 3.39Å; E247-L250 PolarHBondContact O-N 2.84Å; E247-L250 VanDerWaalsContact O-N 3.1Å; E247-V251 WeakPolarHBondContact O-CG2 3.16Å; E247-V251 PolarHBondContact O-N 3.29Å; E247-T363 WeakPolarHBondContact OE1-CB 3.43Å; E247-L364 HydrophobicContact CG-CD1 3.91Å; E247-L364 HydrophobicContact CG-CG 3.89Å; E247-L364 PolarHBondContact OE1-N 3.33Å |
| 248 | A | 80.3 | Confident | 68.5 | Low | 32 Ų | 32 | 61 Ų | 61 | 26% | 0.264 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.9 | -36.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | T246 V251 R252 | T246-A248 PolarHBondContact O-N 3.33Å; A248-V251 PolarHBondContact O-N 3.04Å; A248-R252 PolarHBondContact O-N 3.35Å; A248-R252 VanDerWaalsContact O-N 3.14Å |
| 249 | A | 81.3 | Confident | 71.2 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 13% | 0.132 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.9 | -36.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I245 T246 E247 D253 | I245-A249 HydrophobicContact CG2-CB 4.23Å; T246-A249 WeakPolarHBondContact O-CB 3.29Å; T246-A249 PolarHBondContact O-N 3.07Å; E247-A249 VanDerWaalsContact C-N 3.29Å; E247-A249 PolarHBondContact O-N 3.06Å; A249-D253 PolarHBondContact O-N 2.69Å; A249-D253 VanDerWaalsContact O-N 3.13Å |
| 250 | L | 82.9 | Confident | 73.1 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.9 | -39.3 | 173.3 | -75.9 | 179.3 | 0 | 0 | 0 | 112.7 | I245 T246 E247 R252 D253 I254 N265 I266 L283 L287 L364 | I245-L250 HydrophobicContact CG2-CD2 4.11Å; I245-L250 HydrophobicContact CG2-CG 3.81Å; T246-L250 PolarHBondContact O-N 3.2Å; E247-L250 WeakPolarHBondContact O-CB 3.39Å; E247-L250 PolarHBondContact O-N 2.84Å; E247-L250 VanDerWaalsContact O-N 3.1Å; L250-R252 VanDerWaalsContact C-N 3.31Å; L250-R252 PolarHBondContact O-N 2.93Å; L250-D253 PolarHBondContact O-N 3.14Å; L250-I254 VanDerWaalsContact O-CG1 3.27Å; L250-I254 WeakPolarHBondContact O-CG1 3.45Å; L250-I254 PolarHBondContact O-N 3.16Å; L250-N265 HydrophobicContact CD2-CB 4.36Å; L250-I266 HydrophobicContact CD2-CD1 4.49Å; L250-L283 HydrophobicContact CD1-CD1 4.24Å; L250-L283 HydrophobicContact CD1-CD2 3.54Å; L250-L283 HydrophobicContact CD2-CD1 4Å; L250-L283 HydrophobicContact CD2-CD2 4.5Å; L250-L283 HydrophobicContact CG-CD2 4.2Å; L250-L287 HydrophobicContact CD1-CB 4.25Å; L250-L364 HydrophobicContact CB-CD1 4.25Å; L250-L364 HydrophobicContact CB-CD2 4.33Å; L250-L364 HydrophobicContact CD1-CD1 4.03Å |
| 251 | V | 86.1 | Confident | 75.5 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 176.9 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | E247 A248 D253 I254 L255 L346 L362 L364 | E247-V251 WeakPolarHBondContact O-CG2 3.16Å; E247-V251 PolarHBondContact O-N 3.29Å; A248-V251 PolarHBondContact O-N 3.04Å; V251-D253 PolarHBondContact O-N 3.15Å; V251-I254 PolarHBondContact O-N 3.08Å; V251-L255 HydrophobicContact CG1-CD1 4.37Å; V251-L255 WeakPolarHBondContact O-CG 3.48Å; V251-L255 PolarHBondContact O-N 2.86Å; V251-L346 HydrophobicContact CG1-CD1 4.24Å; V251-L362 HydrophobicContact CG1-CB 4.08Å; V251-L364 HydrophobicContact CG2-CD2 3.82Å; V251-L364 HydrophobicContact CG2-CG 3.94Å |
| 252 | R | 86.3 | Confident | 77.6 | Confident | 93 Ų | 93 | 52.6 Ų | 52.6 | 35% | 0.351 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57 | -48.6 | 173.5 | -75.9 | -170.3 | -100.7 | 99.9 | -5.4 | 112.3 | A248 L250 I254 L255 Y256 L346 | A248-R252 PolarHBondContact O-N 3.35Å; A248-R252 VanDerWaalsContact O-N 3.14Å; L250-R252 VanDerWaalsContact C-N 3.31Å; L250-R252 PolarHBondContact O-N 2.93Å; R252-I254 PolarHBondContact O-N 3.33Å; R252-L255 PolarHBondContact O-N 3.07Å; R252-Y256 WeakPolarHBondContact O-CD2 3.39Å; R252-Y256 PolarHBondContact O-N 3.16Å; R252-Y256 VanDerWaalsContact O-N 3.12Å; R252-L346 HydrophobicContact CG-CD1 3.95Å; R252-L346 HydrophobicContact CG-CD2 3.62Å; R252-L346 HydrophobicContact CG-CG 4.29Å |
| 253 | D | 85.4 | Confident | 79.1 | Confident | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.032 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.5 | -39.1 | 178.6 | -77.1 | -16 | 0 | 0 | 0 | 112.9 | A249 L250 V251 L255 Y256 V257 K264 N265 I266 | A249-D253 PolarHBondContact O-N 2.69Å; A249-D253 VanDerWaalsContact O-N 3.13Å; L250-D253 PolarHBondContact O-N 3.14Å; V251-D253 PolarHBondContact O-N 3.15Å; D253-L255 VanDerWaalsContact C-N 3.33Å; D253-L255 PolarHBondContact O-N 2.99Å; D253-Y256 WeakPolarHBondContact O-CB 3.43Å; D253-Y256 PolarHBondContact O-N 2.94Å; D253-V257 WeakPolarHBondContact O-CG2 3.46Å; D253-V257 PolarHBondContact O-N 3.41Å; D253-K264 PolarHBondContact OD1-N 3.18Å; D253-K264 PolarHBondContact OD2-N 2.96Å; D253-N265 WeakPolarHBondContact OD2-CA 3.22Å; D253-N265 WeakPolarHBondContact OD2-CB 3.44Å; D253-N265 PolarHBondContact OD2-N 3.35Å; D253-N265 PolarHBondContact OD2-ND2 2.99Å; D253-I266 HydrophobicContact CB-CD1 4.3Å; D253-I266 HydrophobicContact CB-CG1 4.32Å |
| 254 | I | 87.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.7 | -37.7 | 176.7 | -67.9 | -70.3 | 0 | 0 | 0 | 111.2 | L250 V251 R252 Y256 V257 F258 I266 A291 L294 L364 L367 | L250-I254 VanDerWaalsContact O-CG1 3.27Å; L250-I254 WeakPolarHBondContact O-CG1 3.45Å; L250-I254 PolarHBondContact O-N 3.16Å; V251-I254 PolarHBondContact O-N 3.08Å; R252-I254 PolarHBondContact O-N 3.33Å; I254-Y256 VanDerWaalsContact C-N 3.28Å; I254-Y256 PolarHBondContact O-N 3.47Å; I254-V257 WeakPolarHBondContact O-CB 3.38Å; I254-V257 PolarHBondContact O-N 3.29Å; I254-F258 HydrophobicContact CG2-CD1 3.98Å; I254-F258 HydrophobicContact CG2-CE1 3.51Å; I254-F258 HydrophobicContact CG2-CE2 4.1Å; I254-F258 HydrophobicContact CG2-CG 4.47Å; I254-F258 HydrophobicContact CG2-CZ 3.58Å; I254-F258 WeakPolarHBondContact O-CB 3.47Å; I254-F258 WeakPolarHBondContact O-CD1 3.35Å; I254-F258 WeakPolarHBondContact O-CG 3.43Å; I254-F258 PolarHBondContact O-N 2.9Å; I254-I266 HydrophobicContact CD1-CD1 3.29Å; I254-I266 HydrophobicContact CG1-CD1 3.84Å; I254-A291 HydrophobicContact CD1-CB 4.18Å; I254-A291 WeakPolarHBondContact CD1-O 3Å; I254-L294 HydrophobicContact CD1-CB 3.96Å; I254-L294 HydrophobicContact CG2-CB 3.92Å; I254-L294 HydrophobicContact CG2-CD1 4.38Å; I254-L364 HydrophobicContact CG1-CD2 4.35Å; I254-L367 HydrophobicContact CB-CD2 4.09Å; I254-L367 HydrophobicContact CG2-CD2 3.41Å; I254-L367 VanDerWaalsContact CG2-CD2 3.41Å |
| 255 | L | 87.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.7 | -27.7 | 175.4 | -70.5 | 175.4 | 0 | 0 | 0 | 112.6 | V251 R252 D253 F258 Q259 L339 L342 L346 L367 | V251-L255 HydrophobicContact CG1-CD1 4.37Å; V251-L255 WeakPolarHBondContact O-CG 3.48Å; V251-L255 PolarHBondContact O-N 2.86Å; R252-L255 PolarHBondContact O-N 3.07Å; D253-L255 VanDerWaalsContact C-N 3.33Å; D253-L255 PolarHBondContact O-N 2.99Å; L255-F258 HydrophobicContact CD2-CD2 3.98Å; L255-F258 HydrophobicContact CD2-CE2 4.47Å; L255-Q259 WeakPolarHBondContact O-CG 3.13Å; L255-Q259 PolarHBondContact O-N 3.34Å; L255-Q259 PolarHBondContact O-NE2 3.07Å; L255-L339 HydrophobicContact CD2-CD1 3.82Å; L255-L342 HydrophobicContact CD2-CB 3.91Å; L255-L342 HydrophobicContact CD2-CD1 4.2Å; L255-L346 HydrophobicContact CD1-CB 4.26Å; L255-L346 HydrophobicContact CD1-CD2 3.66Å; L255-L346 HydrophobicContact CD1-CG 4.45Å; L255-L367 HydrophobicContact CD2-CD1 4.18Å |
| 256 | Y | 87.8 | Confident | 81.2 | Confident | 106 Ų | 106 | 40.2 Ų | 40.2 | 42% | 0.416 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68.9 | -44.9 | 167.3 | -64.1 | -40.5 | 0 | 0 | 0 | 111.7 | R252 D253 I254 F258 Q259 G260 I261 | R252-Y256 WeakPolarHBondContact O-CD2 3.39Å; R252-Y256 PolarHBondContact O-N 3.16Å; R252-Y256 VanDerWaalsContact O-N 3.12Å; D253-Y256 WeakPolarHBondContact O-CB 3.43Å; D253-Y256 PolarHBondContact O-N 2.94Å; I254-Y256 VanDerWaalsContact C-N 3.28Å; I254-Y256 PolarHBondContact O-N 3.47Å; Y256-F258 PolarHBondContact O-N 2.7Å; Y256-Q259 WeakPolarHBondContact O-CB 3.47Å; Y256-Q259 PolarHBondContact O-N 2.87Å; Y256-G260 PolarHBondContact O-N 3.48Å; Y256-I261 CarbonylContact C-O 3.15Å; Y256-I261 PolarHBondContact O-N 2.86Å; Y256-I261 VanDerWaalsContact O-O 3.07Å |
| 257 | V | 87.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.8 | -37 | 176.1 | 169.2 | 0 | 0 | 0 | 0 | 111.8 | D253 I254 Q259 G260 I261 I266 Y275 G298 | D253-V257 WeakPolarHBondContact O-CG2 3.46Å; D253-V257 PolarHBondContact O-N 3.41Å; I254-V257 WeakPolarHBondContact O-CB 3.38Å; I254-V257 PolarHBondContact O-N 3.29Å; V257-Q259 VanDerWaalsContact C-N 3.29Å; V257-Q259 PolarHBondContact O-N 3.18Å; V257-G260 WeakPolarHBondContact O-CA 3.43Å; V257-G260 PolarHBondContact O-N 3.39Å; V257-I261 WeakPolarHBondContact CA-O 3.29Å; V257-I261 PolarHBondContact N-O 2.9Å; V257-I266 HydrophobicContact CG2-CB 3.97Å; V257-I266 HydrophobicContact CG2-CG2 3.72Å; V257-Y275 HydrophobicContact CB-CD1 4.43Å; V257-Y275 HydrophobicContact CB-CE1 4.32Å; V257-Y275 HydrophobicContact CG1-CD1 3.85Å; V257-Y275 HydrophobicContact CG1-CD2 3.61Å; V257-Y275 HydrophobicContact CG1-CE1 3.91Å; V257-Y275 HydrophobicContact CG1-CE2 3.67Å; V257-Y275 HydrophobicContact CG1-CG 3.71Å; V257-Y275 HydrophobicContact CG2-CD1 3.83Å; V257-Y275 HydrophobicContact CG2-CE1 3.94Å; V257-Y275 HydrophobicContact CG2-CG 4.4Å; V257-G298 VanDerWaalsContact O-CA 3.31Å; V257-G298 WeakPolarHBondContact O-CA 3.47Å |
| 258 | F | 88 | Confident | 81.1 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.6 | -32.7 | 174.6 | -80.9 | 10.5 | 0 | 0 | 0 | 113.5 | I254 L255 Y256 G260 L294 L297 Y335 L339 L367 T371 | I254-F258 HydrophobicContact CG2-CD1 3.98Å; I254-F258 HydrophobicContact CG2-CE1 3.51Å; I254-F258 HydrophobicContact CG2-CE2 4.1Å; I254-F258 HydrophobicContact CG2-CG 4.47Å; I254-F258 HydrophobicContact CG2-CZ 3.58Å; I254-F258 WeakPolarHBondContact O-CB 3.47Å; I254-F258 WeakPolarHBondContact O-CD1 3.35Å; I254-F258 WeakPolarHBondContact O-CG 3.43Å; I254-F258 PolarHBondContact O-N 2.9Å; L255-F258 HydrophobicContact CD2-CD2 3.98Å; L255-F258 HydrophobicContact CD2-CE2 4.47Å; Y256-F258 PolarHBondContact O-N 2.7Å; F258-G260 PolarHBondContact O-N 3.31Å; F258-L294 HydrophobicContact CE1-CB 4.33Å; F258-L294 WeakPolarHBondContact CE1-O 3.38Å; F258-L294 HydrophobicContact CZ-CB 4.38Å; F258-L294 HydrophobicContact CZ-CD2 4.06Å; F258-L297 HydrophobicContact CD1-CD2 3.63Å; F258-L297 HydrophobicContact CD2-CD2 4.45Å; F258-L297 HydrophobicContact CE1-CB 4.02Å; F258-L297 HydrophobicContact CE1-CD2 3.74Å; F258-L297 HydrophobicContact CE1-CG 4.34Å; F258-L297 HydrophobicContact CG-CD2 4.01Å; F258-L297 HydrophobicContact CZ-CD2 4.22Å; F258-Y335 VanDerWaalsContact CA-OH 3.26Å; F258-Y335 WeakPolarHBondContact CA-OH 3.07Å; F258-Y335 WeakPolarHBondContact CB-OH 3.38Å; F258-Y335 WeakPolarHBondContact CG-OH 3.43Å; F258-Y335 PolarHBondContact O-OH 2.88Å; F258-L339 HydrophobicContact CB-CD1 3.78Å; F258-L339 HydrophobicContact CD2-CD1 3.96Å; F258-L339 HydrophobicContact CG-CD1 4.4Å; F258-L367 HydrophobicContact CE2-CD1 4.12Å; F258-L367 HydrophobicContact CE2-CD2 4.04Å; F258-L367 HydrophobicContact CE2-CG 4.1Å; F258-L367 HydrophobicContact CZ-CD2 4.11Å; F258-L367 HydrophobicContact CZ-CG 4.36Å; F258-T371 HydrophobicContact CE2-CG2 3.4Å; F258-T371 VanDerWaalsContact CE2-CG2 3.4Å; F258-T371 HydrophobicContact CZ-CG2 3.57Å |
| 259 | Q | 84.6 | Confident | 80.6 | Confident | 54 Ų | 54 | 39.9 Ų | 39.9 | 25% | 0.252 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -77.2 | -10 | 173.4 | -64.1 | 167.8 | 62.6 | 0 | 0 | 112.6 | L255 Y256 V257 I261 L339 H343 | L255-Q259 WeakPolarHBondContact O-CG 3.13Å; L255-Q259 PolarHBondContact O-N 3.34Å; L255-Q259 PolarHBondContact O-NE2 3.07Å; Y256-Q259 WeakPolarHBondContact O-CB 3.47Å; Y256-Q259 PolarHBondContact O-N 2.87Å; V257-Q259 VanDerWaalsContact C-N 3.29Å; V257-Q259 PolarHBondContact O-N 3.18Å; Q259-I261 HydrophobicContact CB-CD1 4.11Å; Q259-I261 HydrophobicContact CB-CG1 4.18Å; Q259-L339 HydrophobicContact CG-CD2 3.63Å; Q259-H343 PolarHBondContact NE2-CE1 2.9Å; Q259-H343 PolarHBondContact NE2-NE2 3.1Å |
| 260 | G | 78.8 | Confident | 79.8 | Confident | 21 Ų | 21 | 45.3 Ų | 45.3 | 22% | 0.216 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | 13 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y256 V257 F258 Y275 N302 | Y256-G260 PolarHBondContact O-N 3.48Å; V257-G260 WeakPolarHBondContact O-CA 3.43Å; V257-G260 PolarHBondContact O-N 3.39Å; F258-G260 PolarHBondContact O-N 3.31Å; G260-Y275 WeakPolarHBondContact CA-OH 3.3Å; G260-Y275 PolarHBondContact O-OH 2.89Å; G260-N302 VanDerWaalsContact CA-ND2 3.32Å; G260-N302 WeakPolarHBondContact CA-ND2 3.34Å; G260-N302 WeakPolarHBondContact CA-OD1 2.87Å; G260-N302 PolarHBondContact O-ND2 3.11Å |
| 261 | I | 81.9 | Confident | 78.6 | Confident | 91 Ų | 91 | 50.9 Ų | 50.9 | 47% | 0.467 | 25% | 0.254 | S | S | . | . | trans | -102.5 | 145.6 | -178.7 | -53.7 | 171.1 | 0 | 0 | 0 | 108.8 | Y256 V257 Q259 | Y256-I261 CarbonylContact C-O 3.15Å; Y256-I261 PolarHBondContact O-N 2.86Å; Y256-I261 VanDerWaalsContact O-O 3.07Å; V257-I261 WeakPolarHBondContact CA-O 3.29Å; V257-I261 PolarHBondContact N-O 2.9Å; Q259-I261 HydrophobicContact CB-CD1 4.11Å; Q259-I261 HydrophobicContact CB-CG1 4.18Å | ||
| 262 | D | 79.7 | Confident | 77.2 | Confident | 87 Ų | 87 | 56.2 Ų | 56.2 | 47% | 0.465 | 28% | 0.279 | S | S | . | . | trans | -72.1 | 134.7 | 175.8 | -64 | -46.4 | 0 | 0 | 0 | 111.4 | M268 | D262-M268 WeakPolarHBondContact OD1-CB 3.32Å; D262-M268 PolarHBondContact OD1-N 3Å | ||
| 263 | G | 74.8 | Confident | 76.1 | Confident | 7 Ų | 7 | 56 Ų | 56 | 7% | 0.072 | 29% | 0.285 | C | S | . | . | trans | -90 | 176.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I266 | G263-I266 WeakPolarHBondContact CA-O 3.49Å; G263-I266 PolarHBondContact N-O 3.35Å | ||
| 264 | K | 73.3 | Confident | 75.1 | Confident | 141 Ų | 141 | 57.7 Ų | 57.7 | 61% | 0.613 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -66.4 | -40.5 | -179.7 | -173.5 | 176.1 | 179 | -179.2 | 0 | 112.1 | D253 | D253-K264 PolarHBondContact OD1-N 3.18Å; D253-K264 PolarHBondContact OD2-N 2.96Å |
| 265 | N | 66.1 | Low | 74.4 | Confident | 25 Ų | 25 | 58.1 Ų | 58.1 | 13% | 0.134 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -106.2 | -11.4 | -178.4 | -56.8 | -75.8 | 0 | 0 | 0 | 113.5 | I245 L250 D253 V277 E278 | I245-N265 WeakPolarHBondContact CD1-OD1 3.43Å; L250-N265 HydrophobicContact CD2-CB 4.36Å; D253-N265 WeakPolarHBondContact OD2-CA 3.22Å; D253-N265 WeakPolarHBondContact OD2-CB 3.44Å; D253-N265 PolarHBondContact OD2-N 3.35Å; D253-N265 PolarHBondContact OD2-ND2 2.99Å; N265-V277 WeakPolarHBondContact O-CA 3.3Å; N265-E278 PolarHBondContact O-N 2.95Å |
| 266 | I | 75.3 | Confident | 73.6 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 114.1 | -175.4 | -50.9 | -179 | 0 | 0 | 0 | 109 | L250 D253 I254 V257 G263 Y275 V277 A291 | L250-I266 HydrophobicContact CD2-CD1 4.49Å; D253-I266 HydrophobicContact CB-CD1 4.3Å; D253-I266 HydrophobicContact CB-CG1 4.32Å; I254-I266 HydrophobicContact CD1-CD1 3.29Å; I254-I266 HydrophobicContact CG1-CD1 3.84Å; V257-I266 HydrophobicContact CG2-CB 3.97Å; V257-I266 HydrophobicContact CG2-CG2 3.72Å; G263-I266 WeakPolarHBondContact CA-O 3.49Å; G263-I266 PolarHBondContact N-O 3.35Å; I266-Y275 HydrophobicContact CG2-CD1 4.21Å; I266-Y275 HydrophobicContact CG2-CG 4.46Å; I266-V277 HydrophobicContact CD1-CG2 4.45Å; I266-V277 HydrophobicContact CG1-CG2 4.2Å; I266-A291 HydrophobicContact CD1-CB 4.27Å |
| 267 | K | 76.4 | Confident | 72.8 | Confident | 101 Ų | 101 | 58 Ų | 58 | 44% | 0.439 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 142.6 | -178.3 | -68.4 | 173.2 | 179.3 | 156.1 | 0 | 110.4 | N269 Y275 K276 E278 | K267-N269 PolarHBondContact O-N 2.94Å; K267-Y275 WeakPolarHBondContact O-CA 3.35Å; K267-K276 PolarHBondContact N-O 2.96Å; K267-K276 VanDerWaalsContact N-O 3.12Å; K267-K276 PolarHBondContact O-N 3.48Å; K267-E278 IonicContact NZ-OE1 2.98Å; K267-E278 IonicContact NZ-OE2 3.74Å; K267-E278 PolarHBondContact NZ-OE2 3.11Å |
| 268 | M | 72.3 | Confident | 71.8 | Confident | 47 Ų | 47 | 61.9 Ų | 61.9 | 23% | 0.232 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 120.7 | 172.9 | -177 | 64.6 | 99.2 | 0 | 0 | 109.4 | D262 Y275 | D262-M268 WeakPolarHBondContact OD1-CB 3.32Å; D262-M268 PolarHBondContact OD1-N 3Å; M268-Y275 HydrophobicContact CB-CD1 3.88Å; M268-Y275 HydrophobicContact CB-CE1 3.6Å; M268-Y275 HydrophobicContact CE-CD2 3.82Å; M268-Y275 HydrophobicContact CE-CE1 4.1Å; M268-Y275 HydrophobicContact CE-CE2 3.16Å; M268-Y275 WeakPolarHBondContact CE-OH 3.49Å; M268-Y275 HydrophobicContact CG-CE1 4.39Å; M268-Y275 HydrophobicContact SD-CD1 4.22Å; M268-Y275 HydrophobicContact SD-CD2 3.83Å; M268-Y275 HydrophobicContact SD-CE1 4.17Å; M268-Y275 HydrophobicContact SD-CE2 3.78Å; M268-Y275 HydrophobicContact SD-CG 4.05Å |
| 269 | N | 69.6 | Low | 70.2 | Confident | 41 Ų | 41 | 65 Ų | 65 | 22% | 0.219 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 109.1 | 168.2 | -172.9 | 7.9 | 0 | 0 | 0 | 109.6 | K267 T271 E272 N273 C274 K276 | K267-N269 PolarHBondContact O-N 2.94Å; N269-T271 VanDerWaalsContact C-N 3.25Å; N269-T271 PolarHBondContact ND2-OG1 3.18Å; N269-T271 PolarHBondContact O-N 3.04Å; N269-T271 PolarHBondContact OD1-N 3.31Å; N269-T271 PolarHBondContact OD1-OG1 3.45Å; N269-E272 PolarHBondContact O-N 3.45Å; N269-N273 PolarHBondContact O-N 3.4Å; N269-C274 WeakPolarHBondContact CA-O 3.44Å; N269-C274 VanDerWaalsContact CB-O 3.29Å; N269-C274 WeakPolarHBondContact CB-O 3.46Å; N269-C274 PolarHBondContact N-O 3.09Å; N269-C274 PolarHBondContact O-N 3.24Å; N269-K276 HydrophobicContact CB-CD 4.34Å; N269-K276 HydrophobicContact CB-CG 4.34Å |
| 270 | N | 63.5 | Low | 68.7 | Low | 129 Ų | 129 | 70.8 Ų | 70.8 | 69% | 0.69 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -24.8 | -178.6 | -165.5 | 35 | 0 | 0 | 0 | 113.1 | ||
| 271 | T | 58.5 | Low | 67.7 | Low | 118 Ų | 118 | 70.2 Ų | 70.2 | 72% | 0.724 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -33.3 | -178.6 | 58.2 | 0 | 0 | 0 | 0 | 113.1 | N269 | N269-T271 VanDerWaalsContact C-N 3.25Å; N269-T271 PolarHBondContact ND2-OG1 3.18Å; N269-T271 PolarHBondContact O-N 3.04Å; N269-T271 PolarHBondContact OD1-N 3.31Å; N269-T271 PolarHBondContact OD1-OG1 3.45Å |
| 272 | E | 57.4 | Low | 66.6 | Low | 112 Ų | 112 | 71.6 Ų | 71.6 | 52% | 0.523 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 1.5 | -178.7 | -72.5 | 178.2 | -146 | 0 | 0 | 113.2 | N269 C274 K276 | N269-E272 PolarHBondContact O-N 3.45Å; E272-C274 VanDerWaalsContact CB-SG 3.55Å; E272-C274 PolarHBondContact O-N 2.83Å; E272-K276 IonicContact OE1-NZ 3.81Å; E272-K276 PolarHBondContact OE1-NZ 3.03Å; E272-K276 WeakPolarHBondContact OE2-CE 3.45Å; E272-K276 IonicContact OE2-NZ 2.77Å; E272-K276 PolarHBondContact OE2-NZ 3.29Å |
| 273 | N | 63.2 | Low | 66.1 | Low | 90 Ų | 90 | 68 Ų | 68 | 48% | 0.481 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 40.5 | -176.7 | -88.2 | -68.2 | 0 | 0 | 0 | 111.6 | N269 W299 | N269-N273 PolarHBondContact O-N 3.4Å; N273-W299 HydrophobicContact CB-CZ2 4.25Å; N273-W299 PolarHBondContact O-NE1 3.32Å; N273-W299 PolarHBondContact OD1-NE1 3.39Å |
| 274 | C | 63.4 | Low | 66.1 | Low | 41 Ų | 41 | 70.5 Ų | 70.5 | 28% | 0.277 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 145.5 | -179 | 72.3 | 0 | 0 | 0 | 0 | 110.5 | N269 E272 | N269-C274 WeakPolarHBondContact CA-O 3.44Å; N269-C274 VanDerWaalsContact CB-O 3.29Å; N269-C274 WeakPolarHBondContact CB-O 3.46Å; N269-C274 PolarHBondContact N-O 3.09Å; N269-C274 PolarHBondContact O-N 3.24Å; E272-C274 VanDerWaalsContact CB-SG 3.55Å; E272-C274 PolarHBondContact O-N 2.83Å |
| 275 | Y | 72.8 | Confident | 66.3 | Low | 8 Ų | 8 | 74.3 Ų | 74.3 | 3% | 0.031 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 124.9 | 173.5 | -77.9 | -81.9 | 0 | 0 | 0 | 109.2 | V257 G260 I266 K267 M268 S295 W299 N302 | V257-Y275 HydrophobicContact CB-CD1 4.43Å; V257-Y275 HydrophobicContact CB-CE1 4.32Å; V257-Y275 HydrophobicContact CG1-CD1 3.85Å; V257-Y275 HydrophobicContact CG1-CD2 3.61Å; V257-Y275 HydrophobicContact CG1-CE1 3.91Å; V257-Y275 HydrophobicContact CG1-CE2 3.67Å; V257-Y275 HydrophobicContact CG1-CG 3.71Å; V257-Y275 HydrophobicContact CG2-CD1 3.83Å; V257-Y275 HydrophobicContact CG2-CE1 3.94Å; V257-Y275 HydrophobicContact CG2-CG 4.4Å; G260-Y275 WeakPolarHBondContact CA-OH 3.3Å; G260-Y275 PolarHBondContact O-OH 2.89Å; I266-Y275 HydrophobicContact CG2-CD1 4.21Å; I266-Y275 HydrophobicContact CG2-CG 4.46Å; K267-Y275 WeakPolarHBondContact O-CA 3.35Å; M268-Y275 HydrophobicContact CB-CD1 3.88Å; M268-Y275 HydrophobicContact CB-CE1 3.6Å; M268-Y275 HydrophobicContact CE-CD2 3.82Å; M268-Y275 HydrophobicContact CE-CE1 4.1Å; M268-Y275 HydrophobicContact CE-CE2 3.16Å; M268-Y275 WeakPolarHBondContact CE-OH 3.49Å; M268-Y275 HydrophobicContact CG-CE1 4.39Å; M268-Y275 HydrophobicContact SD-CD1 4.22Å; M268-Y275 HydrophobicContact SD-CD2 3.83Å; M268-Y275 HydrophobicContact SD-CE1 4.17Å; M268-Y275 HydrophobicContact SD-CE2 3.78Å; M268-Y275 HydrophobicContact SD-CG 4.05Å; Y275-S295 WeakPolarHBondContact CD2-O 3.07Å; Y275-W299 HydrophobicContact CD2-CB 4.3Å; Y275-W299 HydrophobicContact CE2-CB 4.37Å; Y275-N302 PolarHBondContact OH-ND2 3.12Å |
| 276 | K | 70.6 | Confident | 66.9 | Low | 85 Ų | 85 | 76.8 Ų | 76.8 | 37% | 0.37 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 136.1 | 178 | -70.6 | -170.5 | 176.2 | -178.6 | 0 | 110.5 | K267 N269 E272 | K267-K276 PolarHBondContact N-O 2.96Å; K267-K276 VanDerWaalsContact N-O 3.12Å; K267-K276 PolarHBondContact O-N 3.48Å; N269-K276 HydrophobicContact CB-CD 4.34Å; N269-K276 HydrophobicContact CB-CG 4.34Å; E272-K276 IonicContact OE1-NZ 3.81Å; E272-K276 PolarHBondContact OE1-NZ 3.03Å; E272-K276 WeakPolarHBondContact OE2-CE 3.45Å; E272-K276 IonicContact OE2-NZ 2.77Å; E272-K276 PolarHBondContact OE2-NZ 3.29Å |
| 277 | V | 72.1 | Confident | 67 | Low | 20 Ų | 20 | 78.8 Ų | 78.8 | 12% | 0.121 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 123.3 | 171 | -173.7 | 0 | 0 | 0 | 0 | 107.9 | N265 I266 G279 L283 R288 A291 V292 | N265-V277 WeakPolarHBondContact O-CA 3.3Å; I266-V277 HydrophobicContact CD1-CG2 4.45Å; I266-V277 HydrophobicContact CG1-CG2 4.2Å; V277-G279 PolarHBondContact O-N 3.29Å; V277-L283 HydrophobicContact CG1-CD1 3.6Å; V277-R288 HydrophobicContact CB-CG 4.36Å; V277-R288 HydrophobicContact CG2-CG 4.39Å; V277-A291 HydrophobicContact CG2-CB 4.02Å; V277-V292 HydrophobicContact CG2-CG2 4.22Å |
| 278 | E | 64.6 | Low | 67.3 | Low | 80 Ų | 80 | 78.9 Ų | 78.9 | 37% | 0.374 | 41% | 0.412 | S | S | . | . | trans | -63.7 | 123.3 | -173.3 | -157.6 | 172.8 | 169.9 | 0 | 0 | 110.6 | N265 K267 K280 A281 | N265-E278 PolarHBondContact O-N 2.95Å; K267-E278 IonicContact NZ-OE1 2.98Å; K267-E278 IonicContact NZ-OE2 3.74Å; K267-E278 PolarHBondContact NZ-OE2 3.11Å; E278-K280 PolarHBondContact O-N 3.27Å; E278-A281 WeakPolarHBondContact O-CB 3.34Å; E278-A281 PolarHBondContact O-N 2.9Å; E278-A281 VanDerWaalsContact O-N 3.17Å | ||
| 279 | G | 55.5 | Low | 67.7 | Low | 66 Ų | 66 | 80.4 Ų | 80.4 | 68% | 0.68 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 1.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | V277 | V277-G279 PolarHBondContact O-N 3.29Š|
| 280 | K | 53.7 | Low | 68.3 | Low | 177 Ų | 177 | 79.4 Ų | 79.4 | 77% | 0.77 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -5.6 | 175.8 | -63 | -178.1 | 179.3 | 178.4 | 0 | 113.2 | E278 | E278-K280 PolarHBondContact O-N 3.27Š|
| 281 | A | 57.3 | Low | 69.2 | Low | 9 Ų | 9 | 73.3 Ų | 73.3 | 7% | 0.074 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -80.6 | 115.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | I245 E278 L283 | I245-A281 HydrophobicContact CD1-CB 3.13Å; E278-A281 WeakPolarHBondContact O-CB 3.34Å; E278-A281 PolarHBondContact O-N 2.9Å; E278-A281 VanDerWaalsContact O-N 3.17Å; A281-L283 HydrophobicContact CB-CD1 3.59Å; A281-L283 HydrophobicContact CB-CG 3.88Å; A281-L283 PolarHBondContact O-N 2.83Å |
| 282 | N | 58.7 | Low | 70.4 | Confident | 119 Ų | 119 | 71.1 Ų | 71.1 | 64% | 0.636 | 37% | 0.371 | S | S | * | . | trans | -69.1 | 59.2 | 170.2 | -74 | -22.6 | 0 | 0 | 0 | 111.2 | ||||
| 283 | L | 69.1 | Low | 71.7 | Confident | 12 Ų | 12 | 70 Ų | 70 | 6% | 0.063 | 36% | 0.362 | C | S | . | . | trans | -91 | 137.3 | 179.8 | -77.2 | 165.1 | 0 | 0 | 0 | 110.7 | I245 L250 V277 A281 L287 | I245-L283 HydrophobicContact CB-CD2 3.81Å; I245-L283 HydrophobicContact CB-CG 4.29Å; I245-L283 HydrophobicContact CD1-CD1 4.19Å; I245-L283 HydrophobicContact CD1-CG 4.16Å; I245-L283 HydrophobicContact CG2-CD2 3.83Å; L250-L283 HydrophobicContact CD1-CD1 4.24Å; L250-L283 HydrophobicContact CD1-CD2 3.54Å; L250-L283 HydrophobicContact CD2-CD1 4Å; L250-L283 HydrophobicContact CD2-CD2 4.5Å; L250-L283 HydrophobicContact CG-CD2 4.2Å; V277-L283 HydrophobicContact CG1-CD1 3.6Å; A281-L283 HydrophobicContact CB-CD1 3.59Å; A281-L283 HydrophobicContact CB-CG 3.88Å; A281-L283 PolarHBondContact O-N 2.83Å; L283-L287 HydrophobicContact CD2-CD1 4.48Å | ||
| 284 | S | 75.1 | Confident | 72.7 | Confident | 59 Ų | 59 | 65.8 Ų | 65.8 | 41% | 0.413 | 34% | 0.339 | S | S | . | . | trans | -58.7 | 142.8 | 172.9 | 69.3 | 0 | 0 | 0 | 0 | 110.6 | S286 L287 R288 | S284-S286 PolarHBondContact O-N 3.25Å; S284-S286 VanDerWaalsContact O-N 3.12Å; S284-S286 PolarHBondContact OG-OG 3.17Å; S284-L287 PolarHBondContact O-N 3.03Å; S284-L287 VanDerWaalsContact O-N 3.09Å; S284-L287 VanDerWaalsContact OG-CD1 3.23Å; S284-L287 WeakPolarHBondContact OG-CD1 3.07Å; S284-L287 WeakPolarHBondContact OG-CG 3.28Å; S284-R288 PolarHBondContact O-N 3.45Å; S284-R288 VanDerWaalsContact O-N 3.08Å | ||
| 285 | R | 77.2 | Confident | 73.8 | Confident | 222 Ų | 222 | 64 Ų | 64 | 84% | 0.838 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -55.2 | -34.4 | -175.4 | -175.1 | 177.5 | -80.8 | -168.7 | -4.4 | 112.3 | D289 | R285-D289 WeakPolarHBondContact O-CB 3.36Å; R285-D289 PolarHBondContact O-N 2.71Å; R285-D289 VanDerWaalsContact O-N 3.08Å |
| 286 | S | 78.8 | Confident | 74.4 | Confident | 76 Ų | 76 | 67.1 Ų | 67.1 | 53% | 0.531 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -71.2 | -39.4 | 178.1 | 49.8 | 0 | 0 | 0 | 0 | 114 | S284 T290 | S284-S286 PolarHBondContact O-N 3.25Å; S284-S286 VanDerWaalsContact O-N 3.12Å; S284-S286 PolarHBondContact OG-OG 3.17Å; S286-T290 PolarHBondContact O-N 2.88Å; S286-T290 VanDerWaalsContact O-N 3.08Å; S286-T290 PolarHBondContact O-OG1 3.01Å |
| 287 | L | 78.4 | Confident | 75.1 | Confident | 43 Ų | 43 | 63.1 Ų | 63.1 | 23% | 0.225 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67 | -41.5 | 175 | -68.9 | 173 | 0 | 0 | 0 | 110.5 | L250 L283 S284 T290 A291 L364 | L250-L287 HydrophobicContact CD1-CB 4.25Å; L283-L287 HydrophobicContact CD2-CD1 4.48Å; S284-L287 PolarHBondContact O-N 3.03Å; S284-L287 VanDerWaalsContact O-N 3.09Å; S284-L287 VanDerWaalsContact OG-CD1 3.23Å; S284-L287 WeakPolarHBondContact OG-CD1 3.07Å; S284-L287 WeakPolarHBondContact OG-CG 3.28Å; L287-T290 PolarHBondContact O-N 3.37Å; L287-A291 WeakPolarHBondContact O-CB 3.23Å; L287-A291 PolarHBondContact O-N 2.88Å; L287-L364 HydrophobicContact CD2-CD1 3.6Å |
| 288 | R | 81.1 | Confident | 75.7 | Confident | 102 Ų | 102 | 62.1 Ų | 62.1 | 39% | 0.385 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.7 | -48.2 | 175.9 | -171.3 | -176.9 | -59.7 | -173.9 | -1.3 | 112 | V277 S284 T290 A291 V292 | V277-R288 HydrophobicContact CB-CG 4.36Å; V277-R288 HydrophobicContact CG2-CG 4.39Å; S284-R288 PolarHBondContact O-N 3.45Å; S284-R288 VanDerWaalsContact O-N 3.08Å; R288-T290 VanDerWaalsContact C-N 3.32Å; R288-T290 PolarHBondContact O-N 3.21Å; R288-A291 PolarHBondContact O-N 3.35Å; R288-V292 VanDerWaalsContact O-CG2 3.32Å; R288-V292 WeakPolarHBondContact O-CG2 3.32Å; R288-V292 PolarHBondContact O-N 3.46Å |
| 289 | D | 81.2 | Confident | 76.8 | Confident | 79 Ų | 79 | 61.3 Ų | 61.3 | 42% | 0.422 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 179 | 175.9 | 47.4 | 0 | 0 | 0 | 112.2 | R285 R293 | R285-D289 WeakPolarHBondContact O-CB 3.36Å; R285-D289 PolarHBondContact O-N 2.71Å; R285-D289 VanDerWaalsContact O-N 3.08Å; D289-R293 PolarHBondContact O-N 3.35Å; D289-R293 IonicContact OD1-CZ 3.52Å; D289-R293 IonicContact OD1-NH1 2.6Å; D289-R293 PolarHBondContact OD1-NH1 2.98Å; D289-R293 IonicContact OD2-CZ 3.4Å; D289-R293 IonicContact OD2-NH1 3.62Å; D289-R293 PolarHBondContact OD2-NH1 3.31Å; D289-R293 IonicContact OD2-NH2 2.62Å; D289-R293 PolarHBondContact OD2-NH2 3.3Å |
| 290 | T | 82.1 | Confident | 78.3 | Confident | 21 Ų | 21 | 58.5 Ų | 58.5 | 13% | 0.129 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.5 | -42.4 | 174.8 | -54.5 | 0 | 0 | 0 | 0 | 112 | S286 L287 R288 V292 R293 L294 L364 | S286-T290 PolarHBondContact O-N 2.88Å; S286-T290 VanDerWaalsContact O-N 3.08Å; S286-T290 PolarHBondContact O-OG1 3.01Å; L287-T290 PolarHBondContact O-N 3.37Å; R288-T290 VanDerWaalsContact C-N 3.32Å; R288-T290 PolarHBondContact O-N 3.21Å; T290-V292 PolarHBondContact O-N 3.21Å; T290-R293 PolarHBondContact O-N 3.46Å; T290-R293 PolarHBondContact OG1-NH2 3.11Å; T290-R293 VanDerWaalsContact OG1-NH2 3.1Å; T290-L294 HydrophobicContact CG2-CD1 3.99Å; T290-L294 WeakPolarHBondContact O-CD1 3.2Å; T290-L294 WeakPolarHBondContact O-CG 3.38Å; T290-L294 PolarHBondContact O-N 3.17Å; T290-L364 HydrophobicContact CG2-CB 4.21Å |
| 291 | A | 83.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I254 I266 V277 L287 R288 L294 S295 | I254-A291 HydrophobicContact CD1-CB 4.18Å; I254-A291 WeakPolarHBondContact CD1-O 3Å; I266-A291 HydrophobicContact CD1-CB 4.27Å; V277-A291 HydrophobicContact CG2-CB 4.02Å; L287-A291 WeakPolarHBondContact O-CB 3.23Å; L287-A291 PolarHBondContact O-N 2.88Å; R288-A291 PolarHBondContact O-N 3.35Å; A291-L294 PolarHBondContact O-N 3Å; A291-S295 WeakPolarHBondContact O-CB 3.39Å; A291-S295 PolarHBondContact O-N 3.33Å; A291-S295 PolarHBondContact O-OG 3.48Å |
| 292 | V | 83.8 | Confident | 81.4 | Confident | 72 Ų | 72 | 50.4 Ų | 50.4 | 44% | 0.436 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.7 | -42.6 | 175.5 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | V277 R288 T290 L294 S295 E296 | V277-V292 HydrophobicContact CG2-CG2 4.22Å; R288-V292 VanDerWaalsContact O-CG2 3.32Å; R288-V292 WeakPolarHBondContact O-CG2 3.32Å; R288-V292 PolarHBondContact O-N 3.46Å; T290-V292 PolarHBondContact O-N 3.21Å; V292-L294 VanDerWaalsContact C-N 3.32Å; V292-L294 PolarHBondContact O-N 3.22Å; V292-S295 WeakPolarHBondContact O-CB 3.32Å; V292-S295 PolarHBondContact O-N 2.99Å; V292-E296 PolarHBondContact O-N 2.87Å |
| 293 | R | 83.3 | Confident | 82.8 | Confident | 90 Ų | 90 | 46.5 Ų | 46.5 | 34% | 0.34 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.1 | -39.5 | 175.4 | -81.8 | -168.4 | -71.5 | -87.2 | -5 | 113.4 | D289 T290 L368 K375 | D289-R293 PolarHBondContact O-N 3.35Å; D289-R293 IonicContact OD1-CZ 3.52Å; D289-R293 IonicContact OD1-NH1 2.6Å; D289-R293 PolarHBondContact OD1-NH1 2.98Å; D289-R293 IonicContact OD2-CZ 3.4Å; D289-R293 IonicContact OD2-NH1 3.62Å; D289-R293 PolarHBondContact OD2-NH1 3.31Å; D289-R293 IonicContact OD2-NH2 2.62Å; D289-R293 PolarHBondContact OD2-NH2 3.3Å; T290-R293 PolarHBondContact O-N 3.46Å; T290-R293 PolarHBondContact OG1-NH2 3.11Å; T290-R293 VanDerWaalsContact OG1-NH2 3.1Å; R293-L368 HydrophobicContact CB-CD1 4.46Å; R293-K375 PolarHBondContact O-NZ 3.01Å |
| 294 | L | 85.3 | Confident | 83.7 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.6 | -41.6 | 177.8 | -71.6 | 161.8 | 0 | 0 | 0 | 110.4 | I254 F258 T290 A291 V292 E296 L297 L364 L367 L368 T371 | I254-L294 HydrophobicContact CD1-CB 3.96Å; I254-L294 HydrophobicContact CG2-CB 3.92Å; I254-L294 HydrophobicContact CG2-CD1 4.38Å; F258-L294 HydrophobicContact CE1-CB 4.33Å; F258-L294 WeakPolarHBondContact CE1-O 3.38Å; F258-L294 HydrophobicContact CZ-CB 4.38Å; F258-L294 HydrophobicContact CZ-CD2 4.06Å; T290-L294 HydrophobicContact CG2-CD1 3.99Å; T290-L294 WeakPolarHBondContact O-CD1 3.2Å; T290-L294 WeakPolarHBondContact O-CG 3.38Å; T290-L294 PolarHBondContact O-N 3.17Å; A291-L294 PolarHBondContact O-N 3Å; V292-L294 VanDerWaalsContact C-N 3.32Å; V292-L294 PolarHBondContact O-N 3.22Å; L294-E296 PolarHBondContact O-N 3.39Å; L294-L297 WeakPolarHBondContact O-CB 3.48Å; L294-L297 PolarHBondContact O-N 3.12Å; L294-L364 HydrophobicContact CD1-CD2 3.98Å; L294-L367 HydrophobicContact CD1-CD2 4.06Å; L294-L367 HydrophobicContact CD2-CB 4.47Å; L294-L367 HydrophobicContact CD2-CD2 4.18Å; L294-L367 HydrophobicContact CD2-CG 4.19Å; L294-L368 HydrophobicContact CD2-CB 4.38Å; L294-L368 HydrophobicContact CD2-CD1 4.02Å; L294-L368 HydrophobicContact CG-CD1 4.21Å; L294-T371 WeakPolarHBondContact CD2-OG1 3.35Å |
| 295 | S | 85 | Confident | 84.4 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.9 | -31.3 | 177.7 | -73.6 | 0 | 0 | 0 | 0 | 114.3 | Y275 A291 V292 L297 G298 W299 | Y275-S295 WeakPolarHBondContact CD2-O 3.07Å; A291-S295 WeakPolarHBondContact O-CB 3.39Å; A291-S295 PolarHBondContact O-N 3.33Å; A291-S295 PolarHBondContact O-OG 3.48Å; V292-S295 WeakPolarHBondContact O-CB 3.32Å; V292-S295 PolarHBondContact O-N 2.99Å; S295-L297 PolarHBondContact O-N 3.48Å; S295-G298 PolarHBondContact O-N 2.58Å; S295-W299 PolarHBondContact O-N 3.46Å |
| 296 | E | 85.4 | Confident | 84.8 | Confident | 75 Ų | 75 | 45.2 Ų | 45.2 | 35% | 0.35 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -54.7 | -36.3 | 171.5 | -171.9 | -174.2 | -174.9 | 0 | 0 | 112.4 | V292 L294 W299 L300 K375 K379 | V292-E296 PolarHBondContact O-N 2.87Å; L294-E296 PolarHBondContact O-N 3.39Å; E296-W299 PolarHBondContact O-N 2.92Å; E296-L300 HydrophobicContact CG-CD1 4.45Å; E296-L300 WeakPolarHBondContact O-CG 3.48Å; E296-L300 PolarHBondContact O-N 3.23Å; E296-L300 VanDerWaalsContact O-N 3.12Å; E296-K375 WeakPolarHBondContact OE2-CE 3.32Å; E296-K375 IonicContact OE2-NZ 3.54Å; E296-K375 PolarHBondContact OE2-NZ 3.49Å; E296-K379 VanDerWaalsContact CD-CE 3.46Å; E296-K379 VanDerWaalsContact CD-NZ 3.25Å; E296-K379 WeakPolarHBondContact OE1-CE 3.34Å; E296-K379 IonicContact OE1-NZ 2.83Å; E296-K379 PolarHBondContact OE1-NZ 3.12Å; E296-K379 IonicContact OE2-NZ 2.94Å; E296-K379 PolarHBondContact OE2-NZ 3.48Å; E296-K379 VanDerWaalsContact OE2-NZ 3.11Å |
| 297 | L | 85.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.9 | -42.4 | 179.9 | -176.5 | 152.9 | 0 | 0 | 0 | 111.8 | F258 L294 S295 W299 L300 H301 Y335 T371 K375 L378 | F258-L297 HydrophobicContact CD1-CD2 3.63Å; F258-L297 HydrophobicContact CD2-CD2 4.45Å; F258-L297 HydrophobicContact CE1-CB 4.02Å; F258-L297 HydrophobicContact CE1-CD2 3.74Å; F258-L297 HydrophobicContact CE1-CG 4.34Å; F258-L297 HydrophobicContact CG-CD2 4.01Å; F258-L297 HydrophobicContact CZ-CD2 4.22Å; L294-L297 WeakPolarHBondContact O-CB 3.48Å; L294-L297 PolarHBondContact O-N 3.12Å; S295-L297 PolarHBondContact O-N 3.48Å; L297-W299 PolarHBondContact O-N 3.09Å; L297-L300 PolarHBondContact O-N 3.27Å; L297-H301 PolarHBondContact O-N 3.2Å; L297-Y335 HydrophobicContact CD1-CE2 4.42Å; L297-Y335 HydrophobicContact CD2-CD2 4.49Å; L297-Y335 HydrophobicContact CD2-CE2 3.36Å; L297-Y335 WeakPolarHBondContact CD2-OH 3.39Å; L297-Y335 HydrophobicContact CG-CE2 4.36Å; L297-T371 HydrophobicContact CD1-CG2 4.19Å; L297-K375 HydrophobicContact CD1-CB 3.98Å; L297-L378 HydrophobicContact CD1-CD1 4.33Å; L297-L378 HydrophobicContact CD2-CD1 4.3Å; L297-L378 HydrophobicContact CG-CD1 4.02Å |
| 298 | G | 85.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.9 | -35.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | V257 S295 N302 | V257-G298 VanDerWaalsContact O-CA 3.31Å; V257-G298 WeakPolarHBondContact O-CA 3.47Å; S295-G298 PolarHBondContact O-N 2.58Å; G298-N302 PolarHBondContact O-N 3.05Å; G298-N302 VanDerWaalsContact O-N 3.07Å |
| 299 | W | 86.8 | Confident | 85.8 | Confident | 62 Ų | 62 | 38.5 Ų | 38.5 | 24% | 0.235 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.1 | -46.8 | 174.8 | 177.8 | 78.8 | 0 | 0 | 0 | 112.5 | N273 Y275 S295 E296 L297 H301 N302 K303 | N273-W299 HydrophobicContact CB-CZ2 4.25Å; N273-W299 PolarHBondContact O-NE1 3.32Å; N273-W299 PolarHBondContact OD1-NE1 3.39Å; Y275-W299 HydrophobicContact CD2-CB 4.3Å; Y275-W299 HydrophobicContact CE2-CB 4.37Å; S295-W299 PolarHBondContact O-N 3.46Å; E296-W299 PolarHBondContact O-N 2.92Å; L297-W299 PolarHBondContact O-N 3.09Å; W299-H301 VanDerWaalsContact C-N 3.3Å; W299-H301 PolarHBondContact O-N 3.21Å; W299-N302 PolarHBondContact O-N 3.36Å; W299-N302 VanDerWaalsContact O-N 3.13Å; W299-K303 HydrophobicContact CH2-CD 3.6Å; W299-K303 HydrophobicContact CZ2-CD 3.82Å; W299-K303 HydrophobicContact CZ3-CD 4.08Å; W299-K303 PolarHBondContact O-N 3.28Å |
| 300 | L | 86.8 | Confident | 85.9 | Confident | 7 Ų | 7 | 40.8 Ų | 40.8 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.3 | -44.5 | 177.9 | -68.6 | 165.7 | 0 | 0 | 0 | 111.6 | E296 L297 N302 K303 I304 L378 K379 A382 | E296-L300 HydrophobicContact CG-CD1 4.45Å; E296-L300 WeakPolarHBondContact O-CG 3.48Å; E296-L300 PolarHBondContact O-N 3.23Å; E296-L300 VanDerWaalsContact O-N 3.12Å; L297-L300 PolarHBondContact O-N 3.27Å; L300-N302 PolarHBondContact O-N 3.12Å; L300-K303 PolarHBondContact O-N 3.46Å; L300-I304 WeakPolarHBondContact O-CG1 3.27Å; L300-I304 PolarHBondContact O-N 2.94Å; L300-I304 VanDerWaalsContact O-N 3.07Å; L300-L378 HydrophobicContact CB-CB 4.17Å; L300-L378 HydrophobicContact CD1-CB 4.38Å; L300-K379 HydrophobicContact CD1-CB 4.43Å; L300-K379 HydrophobicContact CD1-CD 4.43Å; L300-K379 HydrophobicContact CD1-CG 3.4Å; L300-K379 HydrophobicContact CD2-CG 4.26Å; L300-K379 HydrophobicContact CG-CG 4.49Å; L300-A382 HydrophobicContact CD2-CB 3.56Å |
| 301 | H | 88.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -55.6 | -51.1 | 173.5 | 165.5 | -79.5 | 0 | 0 | 0 | 111.3 | L297 W299 K303 I304 R305 Y335 Y336 | L297-H301 PolarHBondContact O-N 3.2Å; W299-H301 VanDerWaalsContact C-N 3.3Å; W299-H301 PolarHBondContact O-N 3.21Å; H301-K303 VanDerWaalsContact C-N 3.29Å; H301-K303 PolarHBondContact O-N 3.16Å; H301-I304 PolarHBondContact O-N 3.47Å; H301-R305 VanDerWaalsContact O-CB 3.29Å; H301-R305 WeakPolarHBondContact O-CB 3.31Å; H301-R305 PolarHBondContact O-N 2.96Å; H301-Y335 HydrophobicContact CB-CE1 4.39Å; H301-Y335 AromaticContact CD2-CD1 3.48Å; H301-Y335 VanDerWaalsContact CD2-CD1 3.48Å; H301-Y335 WeakPolarHBondContact CD2-CD1 3.38Å; H301-Y335 AromaticContact CD2-CE1 3.24Å; H301-Y335 WeakPolarHBondContact CD2-CE1 3.41Å; H301-Y335 AromaticContact CG-CE1 3.98Å; H301-Y335 AromaticContact NE2-CE1 3.94Å; H301-Y336 PolarHBondContact CE1-OH 3.28Å; H301-Y336 AromaticContact NE2-CE1 3.21Å; H301-Y336 WeakPolarHBondContact NE2-CE1 3.35Å; H301-Y336 AromaticContact NE2-CZ 3.23Å; H301-Y336 PolarHBondContact NE2-OH 3.01Å |
| 302 | N | 88.2 | Confident | 85.1 | Confident | 17 Ų | 17 | 46.9 Ų | 46.9 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.3 | -37.7 | -179.5 | -86.7 | -7.3 | 0 | 0 | 0 | 112.8 | G260 Y275 G298 W299 L300 R306 | G260-N302 VanDerWaalsContact CA-ND2 3.32Å; G260-N302 WeakPolarHBondContact CA-ND2 3.34Å; G260-N302 WeakPolarHBondContact CA-OD1 2.87Å; G260-N302 PolarHBondContact O-ND2 3.11Å; Y275-N302 PolarHBondContact OH-ND2 3.12Å; G298-N302 PolarHBondContact O-N 3.05Å; G298-N302 VanDerWaalsContact O-N 3.07Å; W299-N302 PolarHBondContact O-N 3.36Å; W299-N302 VanDerWaalsContact O-N 3.13Å; L300-N302 PolarHBondContact O-N 3.12Å; N302-R306 WeakPolarHBondContact O-CB 2.96Å; N302-R306 WeakPolarHBondContact O-CG 3.39Å; N302-R306 PolarHBondContact O-N 2.96Å |
| 303 | K | 87.3 | Confident | 84.4 | Confident | 37 Ų | 37 | 50.6 Ų | 50.6 | 16% | 0.161 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.1 | -49 | 176.6 | -175 | 173.9 | -175.9 | 176.4 | 0 | 112.1 | W299 L300 H301 R306 Y307 A382 D386 | W299-K303 HydrophobicContact CH2-CD 3.6Å; W299-K303 HydrophobicContact CZ2-CD 3.82Å; W299-K303 HydrophobicContact CZ3-CD 4.08Å; W299-K303 PolarHBondContact O-N 3.28Å; L300-K303 PolarHBondContact O-N 3.46Å; H301-K303 VanDerWaalsContact C-N 3.29Å; H301-K303 PolarHBondContact O-N 3.16Å; K303-R306 PolarHBondContact O-N 3.25Å; K303-Y307 PolarHBondContact O-N 2.72Å; K303-Y307 VanDerWaalsContact O-N 3.11Å; K303-A382 HydrophobicContact CD-CB 4.39Å; K303-D386 WeakPolarHBondContact CE-OD1 3.47Å; K303-D386 IonicContact NZ-OD1 2.63Å; K303-D386 PolarHBondContact NZ-OD1 3.03Å; K303-D386 IonicContact NZ-OD2 3.04Å; K303-D386 PolarHBondContact NZ-OD2 3.28Å |
| 304 | I | 88.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.9 | -42 | 179.8 | -64 | 162 | 0 | 0 | 0 | 110.6 | L300 H301 Y307 T308 L328 L332 L378 L381 A382 | L300-I304 WeakPolarHBondContact O-CG1 3.27Å; L300-I304 PolarHBondContact O-N 2.94Å; L300-I304 VanDerWaalsContact O-N 3.07Å; H301-I304 PolarHBondContact O-N 3.47Å; I304-Y307 PolarHBondContact O-N 3.43Å; I304-T308 WeakPolarHBondContact O-CB 3.2Å; I304-T308 PolarHBondContact O-N 3.46Å; I304-T308 PolarHBondContact O-OG1 3.31Å; I304-L328 HydrophobicContact CG2-CB 4.38Å; I304-L328 HydrophobicContact CG2-CD2 4.03Å; I304-L332 HydrophobicContact CB-CD2 4.42Å; I304-L332 HydrophobicContact CG2-CD1 4.06Å; I304-L332 HydrophobicContact CG2-CD2 4.11Å; I304-L332 HydrophobicContact CG2-CG 4.11Å; I304-L378 HydrophobicContact CD1-CB 4.39Å; I304-L378 HydrophobicContact CD1-CD2 3.53Å; I304-L378 WeakPolarHBondContact CD1-O 3.15Å; I304-L381 HydrophobicContact CD1-CB 3.74Å; I304-L381 HydrophobicContact CG1-CB 4.46Å; I304-A382 HydrophobicContact CD1-CB 4.34Å; I304-A382 HydrophobicContact CG1-CB 4.33Å |
| 305 | R | 89.2 | Confident | 82.9 | Confident | 107 Ų | 107 | 60.3 Ų | 60.3 | 40% | 0.404 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.6 | -49.7 | 175.5 | -178.8 | 176.4 | 171.7 | -174.8 | 2.6 | 111.3 | H301 Y307 T308 D309 | H301-R305 VanDerWaalsContact O-CB 3.29Å; H301-R305 WeakPolarHBondContact O-CB 3.31Å; H301-R305 PolarHBondContact O-N 2.96Å; R305-Y307 PolarHBondContact O-N 3.31Å; R305-T308 PolarHBondContact O-N 2.92Å; R305-D309 WeakPolarHBondContact CG-OD2 3.28Å; R305-D309 IonicContact NE-OD2 2.67Å; R305-D309 WeakPolarHBondContact O-CB 2.97Å; R305-D309 VanDerWaalsContact O-CG 3.24Å; R305-D309 PolarHBondContact O-N 2.97Å |
| 306 | R | 87.2 | Confident | 82.1 | Confident | 158 Ų | 158 | 64.9 Ų | 64.9 | 60% | 0.596 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -57.5 | -45 | 177.2 | -76.6 | 175.2 | -172.3 | -107.4 | 3.4 | 112.6 | N302 K303 T308 Q310 | N302-R306 WeakPolarHBondContact O-CB 2.96Å; N302-R306 WeakPolarHBondContact O-CG 3.39Å; N302-R306 PolarHBondContact O-N 2.96Å; K303-R306 PolarHBondContact O-N 3.25Å; R306-T308 VanDerWaalsContact C-N 3.34Å; R306-Q310 VanDerWaalsContact O-CB 3.31Å; R306-Q310 WeakPolarHBondContact O-CB 3.38Å; R306-Q310 WeakPolarHBondContact O-CG 3.41Å; R306-Q310 PolarHBondContact O-N 3.14Å |
| 307 | Y | 85.6 | Confident | 81.4 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63 | -43.5 | 177.7 | 177.5 | -98.7 | 0 | 0 | 0 | 112 | K303 I304 R305 Q310 R311 F317 F324 L328 V385 C388 Q389 | K303-Y307 PolarHBondContact O-N 2.72Å; K303-Y307 VanDerWaalsContact O-N 3.11Å; I304-Y307 PolarHBondContact O-N 3.43Å; R305-Y307 PolarHBondContact O-N 3.31Å; Y307-Q310 PolarHBondContact O-N 3.31Å; Y307-R311 HydrophobicContact CD1-CG 4.49Å; Y307-R311 HydrophobicContact CD2-CG 4.22Å; Y307-R311 HydrophobicContact CE1-CG 4.14Å; Y307-R311 HydrophobicContact CE2-CG 3.9Å; Y307-R311 WeakPolarHBondContact O-CB 3.17Å; Y307-R311 WeakPolarHBondContact O-CG 3.31Å; Y307-R311 PolarHBondContact O-N 3.47Å; Y307-F317 WeakPolarHBondContact OH-CZ 3.24Å; Y307-F324 HydrophobicContact CE1-CD1 4.17Å; Y307-F324 AromaticContact CE1-CE1 3.77Å; Y307-F324 HydrophobicContact CE1-CE1 3.77Å; Y307-L328 HydrophobicContact CD1-CD1 3.68Å; Y307-L328 HydrophobicContact CE1-CD1 3.82Å; Y307-V385 HydrophobicContact CD1-CB 4.45Å; Y307-V385 HydrophobicContact CD1-CG1 3.98Å; Y307-V385 HydrophobicContact CD1-CG2 3.76Å; Y307-V385 HydrophobicContact CD2-CG1 3.66Å; Y307-V385 HydrophobicContact CE1-CG2 4.2Å; Y307-V385 HydrophobicContact CE2-CG1 4.29Å; Y307-V385 HydrophobicContact CG-CB 4.38Å; Y307-V385 HydrophobicContact CG-CG1 3.44Å; Y307-V385 VanDerWaalsContact CG-CG1 3.44Å; Y307-V385 HydrophobicContact CG-CG2 4.11Å; Y307-C388 HydrophobicContact CE2-CB 4.4Å; Y307-C388 VanDerWaalsContact OH-CB 3.22Å; Y307-C388 WeakPolarHBondContact OH-CB 3.48Å; Y307-Q389 HydrophobicContact CD2-CG 3.64Å; Y307-Q389 HydrophobicContact CE2-CG 3.7Å |
| 308 | T | 86.8 | Confident | 81 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.7 | -44.5 | -178.9 | -55.6 | 0 | 0 | 0 | 0 | 111 | I304 R305 R306 R311 S312 H329 | I304-T308 WeakPolarHBondContact O-CB 3.2Å; I304-T308 PolarHBondContact O-N 3.46Å; I304-T308 PolarHBondContact O-OG1 3.31Å; R305-T308 PolarHBondContact O-N 2.92Å; R306-T308 VanDerWaalsContact C-N 3.34Å; T308-R311 PolarHBondContact O-N 3.03Å; T308-S312 VanDerWaalsContact O-CB 3.28Å; T308-S312 WeakPolarHBondContact O-CB 3.46Å; T308-S312 PolarHBondContact O-N 2.74Å; T308-H329 WeakPolarHBondContact CG2-CE1 3.5Å; T308-H329 VanDerWaalsContact CG2-ND1 3.32Å; T308-H329 WeakPolarHBondContact CG2-ND1 3.49Å; T308-H329 WeakPolarHBondContact CG2-NE2 3.39Å |
| 309 | D | 85.4 | Confident | 80.9 | Confident | 77 Ų | 77 | 71.7 Ų | 71.7 | 41% | 0.412 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 176.6 | -67.9 | -18.8 | 0 | 0 | 0 | 111 | R305 R311 S312 | R305-D309 WeakPolarHBondContact CG-OD2 3.28Å; R305-D309 IonicContact NE-OD2 2.67Å; R305-D309 WeakPolarHBondContact O-CB 2.97Å; R305-D309 VanDerWaalsContact O-CG 3.24Å; R305-D309 PolarHBondContact O-N 2.97Å; D309-R311 PolarHBondContact O-N 3.08Å; D309-S312 PolarHBondContact O-N 3.01Å; D309-S312 PolarHBondContact O-OG 2.87Å |
| 310 | Q | 84 | Confident | 80.7 | Confident | 127 Ų | 127 | 72.8 Ų | 72.8 | 59% | 0.593 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.9 | -40.5 | 177.9 | -76.5 | 169.2 | 0.5 | 0 | 0 | 113.1 | R306 Y307 | R306-Q310 VanDerWaalsContact O-CB 3.31Å; R306-Q310 WeakPolarHBondContact O-CB 3.38Å; R306-Q310 WeakPolarHBondContact O-CG 3.41Å; R306-Q310 PolarHBondContact O-N 3.14Å; Y307-Q310 PolarHBondContact O-N 3.31Å |
| 311 | R | 77.3 | Confident | 80.4 | Confident | 76 Ų | 76 | 72.5 Ų | 72.5 | 29% | 0.287 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -85.4 | -20.9 | -177.6 | -67.9 | -63.7 | -173.8 | 178.9 | 1.4 | 113.8 | Y307 T308 D309 L313 D314 F317 | Y307-R311 HydrophobicContact CD1-CG 4.49Å; Y307-R311 HydrophobicContact CD2-CG 4.22Å; Y307-R311 HydrophobicContact CE1-CG 4.14Å; Y307-R311 HydrophobicContact CE2-CG 3.9Å; Y307-R311 WeakPolarHBondContact O-CB 3.17Å; Y307-R311 WeakPolarHBondContact O-CG 3.31Å; Y307-R311 PolarHBondContact O-N 3.47Å; T308-R311 PolarHBondContact O-N 3.03Å; D309-R311 PolarHBondContact O-N 3.08Å; R311-L313 PolarHBondContact O-N 3.35Å; R311-D314 IonicContact NH1-OD2 2.74Å; R311-D314 PolarHBondContact NH1-OD2 3.14Å; R311-D314 PolarHBondContact O-N 3.37Å; R311-D314 VanDerWaalsContact O-N 3.16Å; R311-F317 HydrophobicContact CB-CD1 4.39Å; R311-F317 HydrophobicContact CB-CE1 4.32Å; R311-F317 HydrophobicContact CG-CE1 4.49Å; R311-F317 HydrophobicContact CG-CE2 4.48Å; R311-F317 HydrophobicContact CG-CZ 4.34Å |
| 312 | S | 70.7 | Confident | 80.2 | Confident | 73 Ų | 73 | 77.1 Ų | 77.1 | 51% | 0.51 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.5 | -27.1 | 176.5 | 71.7 | 0 | 0 | 0 | 0 | 113.6 | T308 D309 | T308-S312 VanDerWaalsContact O-CB 3.28Å; T308-S312 WeakPolarHBondContact O-CB 3.46Å; T308-S312 PolarHBondContact O-N 2.74Å; D309-S312 PolarHBondContact O-N 3.01Å; D309-S312 PolarHBondContact O-OG 2.87Å |
| 313 | L | 68.8 | Low | 80.1 | Confident | 151 Ų | 151 | 79.7 Ų | 79.7 | 79% | 0.791 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -14.2 | -179.8 | -61.3 | 173.3 | 0 | 0 | 0 | 113.1 | R311 R315 | R311-L313 PolarHBondContact O-N 3.35Å; L313-R315 PolarHBondContact O-N 3.43Å |
| 314 | D | 71.9 | Confident | 80.1 | Confident | 52 Ų | 52 | 79.8 Ų | 79.8 | 28% | 0.278 | 40% | 0.404 | S | S | . | . | trans | -90 | 93.6 | -172.5 | -167.7 | -2.1 | 0 | 0 | 0 | 110.9 | R311 S316 F317 | R311-D314 IonicContact NH1-OD2 2.74Å; R311-D314 PolarHBondContact NH1-OD2 3.14Å; R311-D314 PolarHBondContact O-N 3.37Å; R311-D314 VanDerWaalsContact O-N 3.16Å; D314-S316 PolarHBondContact O-N 2.89Å; D314-S316 VanDerWaalsContact O-N 3.12Å; D314-S316 WeakPolarHBondContact OD1-CB 3.43Å; D314-S316 PolarHBondContact OD1-N 2.89Å; D314-S316 VanDerWaalsContact OD1-N 3.11Å; D314-S316 PolarHBondContact OD1-OG 3.34Å; D314-S316 PolarHBondContact OD2-OG 3.34Å; D314-F317 HydrophobicContact CB-CB 4.39Å; D314-F317 WeakPolarHBondContact O-CB 3.29Å; D314-F317 PolarHBondContact O-N 3.28Å | ||
| 315 | R | 66.3 | Low | 80 | Confident | 242 Ų | 242 | 80.2 Ų | 80.2 | 91% | 0.913 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -15.6 | 175 | -97 | -173.8 | 168.2 | 110.8 | -3.2 | 113.6 | L313 F317 | L313-R315 PolarHBondContact O-N 3.43Å; R315-F317 VanDerWaalsContact C-N 3.29Å |
| 316 | S | 68.8 | Low | 79.8 | Confident | 99 Ų | 99 | 77.9 Ų | 77.9 | 69% | 0.692 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -7.3 | 176.7 | 79.1 | 0 | 0 | 0 | 0 | 113.2 | D314 G318 | D314-S316 PolarHBondContact O-N 2.89Å; D314-S316 VanDerWaalsContact O-N 3.12Å; D314-S316 WeakPolarHBondContact OD1-CB 3.43Å; D314-S316 PolarHBondContact OD1-N 2.89Å; D314-S316 VanDerWaalsContact OD1-N 3.11Å; D314-S316 PolarHBondContact OD1-OG 3.34Å; D314-S316 PolarHBondContact OD2-OG 3.34Å; S316-G318 PolarHBondContact O-N 2.96Å; S316-G318 VanDerWaalsContact O-N 3.07Å |
| 317 | F | 69.8 | Low | 79.9 | Confident | 27 Ų | 27 | 72.5 Ų | 72.5 | 12% | 0.118 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -71.6 | 102.5 | 172.5 | -150.3 | -125.7 | 0 | 0 | 0 | 107.8 | Y307 R311 D314 R315 G321 Q322 C325 | Y307-F317 WeakPolarHBondContact OH-CZ 3.24Å; R311-F317 HydrophobicContact CB-CD1 4.39Å; R311-F317 HydrophobicContact CB-CE1 4.32Å; R311-F317 HydrophobicContact CG-CE1 4.49Å; R311-F317 HydrophobicContact CG-CE2 4.48Å; R311-F317 HydrophobicContact CG-CZ 4.34Å; D314-F317 HydrophobicContact CB-CB 4.39Å; D314-F317 WeakPolarHBondContact O-CB 3.29Å; D314-F317 PolarHBondContact O-N 3.28Å; R315-F317 VanDerWaalsContact C-N 3.29Å; F317-G321 WeakPolarHBondContact CE1-O 3.04Å; F317-Q322 WeakPolarHBondContact O-CG 3.26Å; F317-Q322 PolarHBondContact O-NE2 3.17Å; F317-C325 VanDerWaalsContact CE1-SG 3.55Å |
| 318 | G | 78.4 | Confident | 80.1 | Confident | 46 Ų | 46 | 72.4 Ų | 72.4 | 47% | 0.474 | 40% | 0.4 | S | S | . | . | trans | -56 | 171.2 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | S316 V320 G321 Q322 | S316-G318 PolarHBondContact O-N 2.96Å; S316-G318 VanDerWaalsContact O-N 3.07Å; G318-V320 PolarHBondContact O-N 3.36Å; G318-G321 WeakPolarHBondContact O-CA 3.48Å; G318-G321 PolarHBondContact O-N 2.88Å; G318-Q322 PolarHBondContact O-N 3.12Å | ||
| 319 | L | 82.4 | Confident | 80.3 | Confident | 145 Ų | 145 | 76.1 Ų | 76.1 | 76% | 0.759 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -51.5 | -38.2 | -173.6 | -67.7 | 170.1 | 0 | 0 | 0 | 114 | Q322 S323 | L319-Q322 PolarHBondContact O-N 3.43Å; L319-S323 PolarHBondContact O-N 3.33Å |
| 320 | V | 82.8 | Confident | 80.5 | Confident | 84 Ų | 84 | 78.6 Ų | 78.6 | 51% | 0.509 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 176.4 | -179.1 | 0 | 0 | 0 | 0 | 111 | G318 S323 F324 F395 | G318-V320 PolarHBondContact O-N 3.36Å; V320-S323 PolarHBondContact O-N 3.23Å; V320-S323 PolarHBondContact O-OG 3.21Å; V320-F324 PolarHBondContact O-N 3.23Å; V320-F395 HydrophobicContact CB-CD2 4.44Å; V320-F395 HydrophobicContact CB-CE2 4.07Å; V320-F395 HydrophobicContact CB-CZ 4.34Å; V320-F395 HydrophobicContact CG1-CD1 4.18Å; V320-F395 HydrophobicContact CG1-CD2 4.13Å; V320-F395 HydrophobicContact CG1-CE1 3.93Å; V320-F395 HydrophobicContact CG1-CE2 3.87Å; V320-F395 HydrophobicContact CG1-CG 4.28Å; V320-F395 HydrophobicContact CG1-CZ 3.77Å |
| 321 | G | 81.5 | Confident | 80.8 | Confident | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.01 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | F317 G318 S323 F324 C325 | F317-G321 WeakPolarHBondContact CE1-O 3.04Å; G318-G321 WeakPolarHBondContact O-CA 3.48Å; G318-G321 PolarHBondContact O-N 2.88Å; G321-S323 VanDerWaalsContact C-N 3.32Å; G321-S323 PolarHBondContact O-N 3.44Å; G321-F324 WeakPolarHBondContact O-CB 3.06Å; G321-F324 PolarHBondContact O-N 3.37Å; G321-F324 VanDerWaalsContact O-N 3.16Å; G321-C325 PolarHBondContact O-N 2.81Å |
| 322 | Q | 83.9 | Confident | 81.4 | Confident | 97 Ų | 97 | 71.8 Ų | 71.8 | 45% | 0.453 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 175.7 | -66.2 | 179.7 | -1.6 | 0 | 0 | 111.9 | F317 G318 L319 F324 C325 A326 | F317-Q322 WeakPolarHBondContact O-CG 3.26Å; F317-Q322 PolarHBondContact O-NE2 3.17Å; G318-Q322 PolarHBondContact O-N 3.12Å; L319-Q322 PolarHBondContact O-N 3.43Å; Q322-F324 VanDerWaalsContact C-N 3.33Å; Q322-F324 PolarHBondContact O-N 3.05Å; Q322-C325 PolarHBondContact O-N 3.11Å; Q322-A326 WeakPolarHBondContact O-CB 3.36Å; Q322-A326 PolarHBondContact O-N 3.48Å |
| 323 | S | 86.3 | Confident | 82.3 | Confident | 72 Ų | 72 | 76.6 Ų | 76.6 | 50% | 0.503 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.1 | -37 | 175.7 | 73.1 | 0 | 0 | 0 | 0 | 112.4 | L319 V320 G321 A326 A327 | L319-S323 PolarHBondContact O-N 3.33Å; V320-S323 PolarHBondContact O-N 3.23Å; V320-S323 PolarHBondContact O-OG 3.21Å; G321-S323 VanDerWaalsContact C-N 3.32Å; G321-S323 PolarHBondContact O-N 3.44Å; S323-A326 PolarHBondContact O-N 2.77Å; S323-A327 PolarHBondContact O-N 3.45Å |
| 324 | F | 86.4 | Confident | 83.3 | Confident | 38 Ų | 38 | 73 Ų | 73 | 17% | 0.167 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.9 | -45.9 | 174 | 179.4 | -116 | 0 | 0 | 0 | 111.7 | Y307 V320 G321 Q322 A326 A327 L328 L384 V385 C388 | Y307-F324 HydrophobicContact CE1-CD1 4.17Å; Y307-F324 AromaticContact CE1-CE1 3.77Å; Y307-F324 HydrophobicContact CE1-CE1 3.77Å; V320-F324 PolarHBondContact O-N 3.23Å; G321-F324 WeakPolarHBondContact O-CB 3.06Å; G321-F324 PolarHBondContact O-N 3.37Å; G321-F324 VanDerWaalsContact O-N 3.16Å; Q322-F324 VanDerWaalsContact C-N 3.33Å; Q322-F324 PolarHBondContact O-N 3.05Å; F324-A326 VanDerWaalsContact C-N 3.29Å; F324-A326 PolarHBondContact O-N 2.62Å; F324-A327 WeakPolarHBondContact O-CB 3.17Å; F324-A327 PolarHBondContact O-N 3Å; F324-L328 HydrophobicContact CD1-CD1 4.06Å; F324-L328 HydrophobicContact CE1-CD1 3.64Å; F324-L328 HydrophobicContact CE1-CG 4.26Å; F324-L328 HydrophobicContact CE2-CD2 4.35Å; F324-L328 HydrophobicContact CE2-CG 4.34Å; F324-L328 HydrophobicContact CZ-CD1 3.92Å; F324-L328 HydrophobicContact CZ-CD2 4.13Å; F324-L328 HydrophobicContact CZ-CG 4.14Å; F324-L328 WeakPolarHBondContact O-CG 3.36Å; F324-L328 PolarHBondContact O-N 2.68Å; F324-L384 HydrophobicContact CE2-CB 4.29Å; F324-L384 HydrophobicContact CE2-CD1 4.4Å; F324-L384 HydrophobicContact CZ-CB 4Å; F324-V385 HydrophobicContact CE1-CG2 4.48Å; F324-V385 HydrophobicContact CZ-CG2 4.38Å; F324-C388 HydrophobicContact CE1-CB 4.38Å |
| 325 | C | 85.9 | Confident | 84.1 | Confident | 9 Ų | 9 | 71 Ų | 71 | 6% | 0.061 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.7 | -35.7 | 173.6 | -75.7 | 0 | 0 | 0 | 0 | 112.5 | F317 G321 Q322 L328 H329 | F317-C325 VanDerWaalsContact CE1-SG 3.55Å; G321-C325 PolarHBondContact O-N 2.81Å; Q322-C325 PolarHBondContact O-N 3.11Å; C325-L328 PolarHBondContact O-N 3.29Å; C325-H329 PolarHBondContact O-N 2.68Å; C325-H329 PolarHBondContact O-ND1 2.69Å |
| 326 | A | 86.4 | Confident | 85.3 | Confident | 58 Ų | 58 | 63.3 Ų | 63.3 | 48% | 0.479 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q322 S323 F324 H329 Q330 | Q322-A326 WeakPolarHBondContact O-CB 3.36Å; Q322-A326 PolarHBondContact O-N 3.48Å; S323-A326 PolarHBondContact O-N 2.77Å; F324-A326 VanDerWaalsContact C-N 3.29Å; F324-A326 PolarHBondContact O-N 2.62Å; A326-H329 PolarHBondContact O-N 3.29Å; A326-Q330 PolarHBondContact O-N 3.11Å |
| 327 | A | 88.3 | Confident | 86.4 | Confident | 46 Ų | 46 | 65.6 Ų | 65.6 | 38% | 0.38 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S323 F324 H329 Q330 E331 | S323-A327 PolarHBondContact O-N 3.45Å; F324-A327 WeakPolarHBondContact O-CB 3.17Å; F324-A327 PolarHBondContact O-N 3Å; A327-H329 VanDerWaalsContact C-N 3.35Å; A327-H329 PolarHBondContact O-N 3.07Å; A327-Q330 WeakPolarHBondContact O-CB 3.29Å; A327-Q330 PolarHBondContact O-N 3.49Å; A327-E331 WeakPolarHBondContact O-CG 3.43Å; A327-E331 PolarHBondContact O-N 2.65Å |
| 328 | L | 89.7 | Confident | 87.3 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 174 | -69.9 | 177.1 | 0 | 0 | 0 | 111.9 | I304 Y307 F324 C325 Q330 E331 L332 L381 V385 | I304-L328 HydrophobicContact CG2-CB 4.38Å; I304-L328 HydrophobicContact CG2-CD2 4.03Å; Y307-L328 HydrophobicContact CD1-CD1 3.68Å; Y307-L328 HydrophobicContact CE1-CD1 3.82Å; F324-L328 HydrophobicContact CD1-CD1 4.06Å; F324-L328 HydrophobicContact CE1-CD1 3.64Å; F324-L328 HydrophobicContact CE1-CG 4.26Å; F324-L328 HydrophobicContact CE2-CD2 4.35Å; F324-L328 HydrophobicContact CE2-CG 4.34Å; F324-L328 HydrophobicContact CZ-CD1 3.92Å; F324-L328 HydrophobicContact CZ-CD2 4.13Å; F324-L328 HydrophobicContact CZ-CG 4.14Å; F324-L328 WeakPolarHBondContact O-CG 3.36Å; F324-L328 PolarHBondContact O-N 2.68Å; C325-L328 PolarHBondContact O-N 3.29Å; L328-Q330 VanDerWaalsContact C-N 3.33Å; L328-Q330 PolarHBondContact O-N 3.26Å; L328-E331 PolarHBondContact O-N 2.9Å; L328-L332 WeakPolarHBondContact O-CG 3.49Å; L328-L332 PolarHBondContact O-N 3.45Å; L328-L381 HydrophobicContact CD2-CB 4.08Å; L328-L381 HydrophobicContact CD2-CD1 4.39Å; L328-L381 HydrophobicContact CD2-CD2 3.96Å; L328-L381 HydrophobicContact CD2-CG 4.35Å; L328-V385 HydrophobicContact CD1-CG2 3.84Å; L328-V385 HydrophobicContact CD2-CG2 4.2Å |
| 329 | H | 90.2 | Very high | 87.8 | Confident | 77 Ų | 77 | 64 Ų | 64 | 36% | 0.356 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 174.8 | -82.4 | 115.5 | 0 | 0 | 0 | 113.1 | T308 C325 A326 A327 E331 L332 R333 | T308-H329 WeakPolarHBondContact CG2-CE1 3.5Å; T308-H329 VanDerWaalsContact CG2-ND1 3.32Å; T308-H329 WeakPolarHBondContact CG2-ND1 3.49Å; T308-H329 WeakPolarHBondContact CG2-NE2 3.39Å; C325-H329 PolarHBondContact O-N 2.68Å; C325-H329 PolarHBondContact O-ND1 2.69Å; A326-H329 PolarHBondContact O-N 3.29Å; A327-H329 VanDerWaalsContact C-N 3.35Å; A327-H329 PolarHBondContact O-N 3.07Å; H329-E331 VanDerWaalsContact C-N 3.35Å; H329-L332 PolarHBondContact O-N 2.96Å; H329-R333 WeakPolarHBondContact O-CB 3.21Å; H329-R333 PolarHBondContact O-N 3.31Å |
| 330 | Q | 89.8 | Confident | 88 | Confident | 129 Ų | 129 | 60.9 Ų | 60.9 | 60% | 0.603 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.6 | -42.8 | 176.8 | -179.6 | 177 | -13.3 | 0 | 0 | 111.3 | A326 A327 L328 R333 E334 | A326-Q330 PolarHBondContact O-N 3.11Å; A327-Q330 WeakPolarHBondContact O-CB 3.29Å; A327-Q330 PolarHBondContact O-N 3.49Å; L328-Q330 VanDerWaalsContact C-N 3.33Å; L328-Q330 PolarHBondContact O-N 3.26Å; Q330-R333 WeakPolarHBondContact O-CB 3.43Å; Q330-R333 PolarHBondContact O-N 3.36Å; Q330-E334 PolarHBondContact O-N 3.02Å; Q330-E334 VanDerWaalsContact O-N 3.09Å |
| 331 | E | 90.3 | Very high | 88.3 | Confident | 52 Ų | 52 | 59.6 Ų | 59.6 | 24% | 0.243 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66 | -42.7 | 176.8 | -70.2 | -70.1 | 119.2 | 0 | 0 | 112.1 | A327 L328 H329 R333 E334 Y335 R377 L381 | A327-E331 WeakPolarHBondContact O-CG 3.43Å; A327-E331 PolarHBondContact O-N 2.65Å; L328-E331 PolarHBondContact O-N 2.9Å; H329-E331 VanDerWaalsContact C-N 3.35Å; E331-R333 VanDerWaalsContact C-N 3.27Å; E331-R333 PolarHBondContact O-N 3.48Å; E331-E334 PolarHBondContact O-N 3.43Å; E331-Y335 PolarHBondContact O-N 2.97Å; E331-R377 IonicContact OE1-CZ 3.21Å; E331-R377 IonicContact OE1-NH2 3.73Å; E331-R377 PolarHBondContact OE1-NH2 2.95Å; E331-R377 IonicContact OE2-CZ 3.84Å; E331-R377 IonicContact OE2-NE 2.89Å; E331-R377 PolarHBondContact OE2-NE 3.49Å; E331-R377 IonicContact OE2-NH2 3.17Å; E331-R377 PolarHBondContact OE2-NH2 3.44Å; E331-L381 HydrophobicContact CB-CD1 3.44Å; E331-L381 VanDerWaalsContact CB-CD1 3.44Å; E331-L381 HydrophobicContact CG-CD1 3.62Å; E331-L381 HydrophobicContact CG-CD2 4.48Å |
| 332 | L | 90.8 | Very high | 88.5 | Confident | 9 Ų | 9 | 59.7 Ų | 59.7 | 5% | 0.047 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.7 | -35.8 | 172.5 | -71.7 | 176.3 | 0 | 0 | 0 | 112 | I304 L328 H329 Y335 Y336 L378 | I304-L332 HydrophobicContact CB-CD2 4.42Å; I304-L332 HydrophobicContact CG2-CD1 4.06Å; I304-L332 HydrophobicContact CG2-CD2 4.11Å; I304-L332 HydrophobicContact CG2-CG 4.11Å; L328-L332 WeakPolarHBondContact O-CG 3.49Å; L328-L332 PolarHBondContact O-N 3.45Å; H329-L332 PolarHBondContact O-N 2.96Å; L332-Y335 WeakPolarHBondContact O-CB 3.48Å; L332-Y335 PolarHBondContact O-N 2.93Å; L332-Y336 HydrophobicContact CB-CE2 4.26Å; L332-Y336 WeakPolarHBondContact O-CD2 3.34Å; L332-Y336 PolarHBondContact O-N 2.91Å; L332-L378 HydrophobicContact CD2-CD2 4.41Å |
| 333 | R | 90 | Very high | 88.5 | Confident | 173 Ų | 173 | 58 Ų | 58 | 65% | 0.653 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -65.1 | -41.9 | 176.6 | -171.6 | 177.4 | -68.9 | 130.8 | -0.4 | 111.9 | H329 Q330 E331 Y335 Y336 R337 | H329-R333 WeakPolarHBondContact O-CB 3.21Å; H329-R333 PolarHBondContact O-N 3.31Å; Q330-R333 WeakPolarHBondContact O-CB 3.43Å; Q330-R333 PolarHBondContact O-N 3.36Å; E331-R333 VanDerWaalsContact C-N 3.27Å; E331-R333 PolarHBondContact O-N 3.48Å; R333-Y335 VanDerWaalsContact C-N 3.31Å; R333-Y336 PolarHBondContact O-N 2.85Å; R333-R337 PolarHBondContact O-N 3.17Å |
| 334 | E | 88.6 | Confident | 88.3 | Confident | 75 Ų | 75 | 58 Ų | 58 | 35% | 0.35 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.3 | -37.3 | 175.4 | -168.5 | 57.4 | -151.5 | 0 | 0 | 111.4 | Q330 E331 R337 L338 | Q330-E334 PolarHBondContact O-N 3.02Å; Q330-E334 VanDerWaalsContact O-N 3.09Å; E331-E334 PolarHBondContact O-N 3.43Å; E334-R337 WeakPolarHBondContact O-CB 3.47Å; E334-R337 PolarHBondContact O-N 2.94Å; E334-R337 IonicContact OE1-CZ 3.41Å; E334-R337 IonicContact OE1-NE 3.63Å; E334-R337 PolarHBondContact OE1-NE 3.21Å; E334-R337 IonicContact OE1-NH2 3.35Å; E334-R337 PolarHBondContact OE1-NH2 3.19Å; E334-R337 IonicContact OE2-NE 2.9Å; E334-R337 PolarHBondContact OE2-NE 3.36Å; E334-L338 PolarHBondContact O-N 3.37Å; E334-L338 VanDerWaalsContact O-N 3.11Å |
| 335 | Y | 90.3 | Very high | 88 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 4% | 0.043 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59 | -46 | 171.5 | 172.5 | -101.3 | 0 | 0 | 0 | 112.4 | F258 L297 H301 E331 L332 R333 R337 L338 L339 P374 L378 | F258-Y335 VanDerWaalsContact CA-OH 3.26Å; F258-Y335 WeakPolarHBondContact CA-OH 3.07Å; F258-Y335 WeakPolarHBondContact CB-OH 3.38Å; F258-Y335 WeakPolarHBondContact CG-OH 3.43Å; F258-Y335 PolarHBondContact O-OH 2.88Å; L297-Y335 HydrophobicContact CD1-CE2 4.42Å; L297-Y335 HydrophobicContact CD2-CD2 4.49Å; L297-Y335 HydrophobicContact CD2-CE2 3.36Å; L297-Y335 WeakPolarHBondContact CD2-OH 3.39Å; L297-Y335 HydrophobicContact CG-CE2 4.36Å; H301-Y335 HydrophobicContact CB-CE1 4.39Å; H301-Y335 AromaticContact CD2-CD1 3.48Å; H301-Y335 VanDerWaalsContact CD2-CD1 3.48Å; H301-Y335 WeakPolarHBondContact CD2-CD1 3.38Å; H301-Y335 AromaticContact CD2-CE1 3.24Å; H301-Y335 WeakPolarHBondContact CD2-CE1 3.41Å; H301-Y335 AromaticContact CG-CE1 3.98Å; H301-Y335 AromaticContact NE2-CE1 3.94Å; E331-Y335 PolarHBondContact O-N 2.97Å; L332-Y335 WeakPolarHBondContact O-CB 3.48Å; L332-Y335 PolarHBondContact O-N 2.93Å; R333-Y335 VanDerWaalsContact C-N 3.31Å; Y335-R337 VanDerWaalsContact C-N 3.32Å; Y335-R337 PolarHBondContact O-N 2.92Å; Y335-L338 WeakPolarHBondContact O-CB 3.22Å; Y335-L338 PolarHBondContact O-N 2.78Å; Y335-L339 HydrophobicContact CE1-CD2 4.28Å; Y335-L339 PolarHBondContact O-N 3.39Å; Y335-P374 HydrophobicContact CD2-CB 4.39Å; Y335-L378 HydrophobicContact CD2-CD1 3.79Å; Y335-L378 HydrophobicContact CE2-CD1 4.07Å; Y335-L378 HydrophobicContact CG-CD1 4.39Å |
| 336 | Y | 91.3 | Very high | 87.5 | Confident | 80 Ų | 80 | 59 Ų | 59 | 31% | 0.314 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.2 | -34 | 176.5 | -66.4 | -48.2 | 0 | 0 | 0 | 112.9 | H301 L332 R333 L338 L339 S340 | H301-Y336 PolarHBondContact CE1-OH 3.28Å; H301-Y336 AromaticContact NE2-CE1 3.21Å; H301-Y336 WeakPolarHBondContact NE2-CE1 3.35Å; H301-Y336 AromaticContact NE2-CZ 3.23Å; H301-Y336 PolarHBondContact NE2-OH 3.01Å; L332-Y336 HydrophobicContact CB-CE2 4.26Å; L332-Y336 WeakPolarHBondContact O-CD2 3.34Å; L332-Y336 PolarHBondContact O-N 2.91Å; R333-Y336 PolarHBondContact O-N 2.85Å; Y336-L338 VanDerWaalsContact C-N 3.33Å; Y336-L338 PolarHBondContact O-N 2.69Å; Y336-L339 HydrophobicContact CD1-CD2 4.21Å; Y336-L339 WeakPolarHBondContact O-CB 3.14Å; Y336-L339 PolarHBondContact O-N 2.89Å; Y336-L339 VanDerWaalsContact O-N 3.14Å; Y336-S340 PolarHBondContact O-N 3.14Å; Y336-S340 PolarHBondContact O-OG 3.3Å |
| 337 | R | 90.6 | Very high | 86.7 | Confident | 147 Ų | 147 | 62 Ų | 62 | 56% | 0.555 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -60.9 | -43.9 | 175.1 | -159.5 | -171 | 71.3 | 79.3 | 3.3 | 111.2 | R333 E334 Y335 S340 V341 | R333-R337 PolarHBondContact O-N 3.17Å; E334-R337 WeakPolarHBondContact O-CB 3.47Å; E334-R337 PolarHBondContact O-N 2.94Å; E334-R337 IonicContact OE1-CZ 3.41Å; E334-R337 IonicContact OE1-NE 3.63Å; E334-R337 PolarHBondContact OE1-NE 3.21Å; E334-R337 IonicContact OE1-NH2 3.35Å; E334-R337 PolarHBondContact OE1-NH2 3.19Å; E334-R337 IonicContact OE2-NE 2.9Å; E334-R337 PolarHBondContact OE2-NE 3.36Å; Y335-R337 VanDerWaalsContact C-N 3.32Å; Y335-R337 PolarHBondContact O-N 2.92Å; R337-S340 PolarHBondContact O-N 2.94Å; R337-V341 PolarHBondContact O-N 3.11Å |
| 338 | L | 89.5 | Confident | 85.5 | Confident | 31 Ų | 31 | 64.8 Ų | 64.8 | 16% | 0.162 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 171.9 | 174.5 | 66.4 | 0 | 0 | 0 | 111.5 | E334 Y335 Y336 S340 V341 L342 W370 P374 | E334-L338 PolarHBondContact O-N 3.37Å; E334-L338 VanDerWaalsContact O-N 3.11Å; Y335-L338 WeakPolarHBondContact O-CB 3.22Å; Y335-L338 PolarHBondContact O-N 2.78Å; Y336-L338 VanDerWaalsContact C-N 3.33Å; Y336-L338 PolarHBondContact O-N 2.69Å; L338-S340 VanDerWaalsContact C-N 3.28Å; L338-S340 PolarHBondContact O-N 3.35Å; L338-V341 WeakPolarHBondContact O-CB 3.37Å; L338-V341 PolarHBondContact O-N 3.39Å; L338-V341 VanDerWaalsContact O-N 3.08Å; L338-L342 HydrophobicContact CD1-CG 4.46Å; L338-L342 HydrophobicContact CG-CD1 4.17Å; L338-L342 HydrophobicContact CG-CG 4.5Å; L338-L342 WeakPolarHBondContact O-CG 3.31Å; L338-L342 PolarHBondContact O-N 3.27Å; L338-W370 HydrophobicContact CD1-CE3 3.87Å; L338-W370 HydrophobicContact CD1-CZ3 4.38Å; L338-P374 HydrophobicContact CD2-CB 4.22Å; L338-P374 HydrophobicContact CD2-CG 3.28Å |
| 339 | L | 88 | Confident | 84.1 | Confident | 10 Ų | 10 | 68.6 Ų | 68.6 | 5% | 0.052 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.6 | -37.3 | -179.8 | -168.8 | 60.5 | 0 | 0 | 0 | 112.3 | L255 F258 Q259 Y335 Y336 L342 H343 | L255-L339 HydrophobicContact CD2-CD1 3.82Å; F258-L339 HydrophobicContact CB-CD1 3.78Å; F258-L339 HydrophobicContact CD2-CD1 3.96Å; F258-L339 HydrophobicContact CG-CD1 4.4Å; Q259-L339 HydrophobicContact CG-CD2 3.63Å; Y335-L339 HydrophobicContact CE1-CD2 4.28Å; Y335-L339 PolarHBondContact O-N 3.39Å; Y336-L339 HydrophobicContact CD1-CD2 4.21Å; Y336-L339 WeakPolarHBondContact O-CB 3.14Å; Y336-L339 PolarHBondContact O-N 2.89Å; Y336-L339 VanDerWaalsContact O-N 3.14Å; L339-L342 PolarHBondContact O-N 3.47Å; L339-H343 PolarHBondContact O-N 3.17Å |
| 340 | S | 88.2 | Confident | 82.4 | Confident | 78 Ų | 78 | 70.8 Ų | 70.8 | 55% | 0.545 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 173.4 | -60.5 | 0 | 0 | 0 | 0 | 112.7 | Y336 R337 L338 H343 S344 | Y336-S340 PolarHBondContact O-N 3.14Å; Y336-S340 PolarHBondContact O-OG 3.3Å; R337-S340 PolarHBondContact O-N 2.94Å; L338-S340 VanDerWaalsContact C-N 3.28Å; L338-S340 PolarHBondContact O-N 3.35Å; S340-H343 PolarHBondContact O-N 3.41Å; S340-S344 PolarHBondContact O-N 2.63Å |
| 341 | V | 87.3 | Confident | 80.6 | Confident | 58 Ų | 58 | 70.8 Ų | 70.8 | 35% | 0.352 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.7 | -43.3 | 175.6 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | R337 L338 S344 Q345 W370 | R337-V341 PolarHBondContact O-N 3.11Å; L338-V341 WeakPolarHBondContact O-CB 3.37Å; L338-V341 PolarHBondContact O-N 3.39Å; L338-V341 VanDerWaalsContact O-N 3.08Å; V341-S344 PolarHBondContact O-N 3.04Å; V341-Q345 PolarHBondContact O-N 3.3Å; V341-Q345 VanDerWaalsContact O-N 3.12Å; V341-W370 HydrophobicContact CG1-CH2 4.28Å; V341-W370 HydrophobicContact CG1-CZ3 3.78Å |
| 342 | L | 86.1 | Confident | 78.5 | Confident | 2 Ų | 2 | 74.2 Ų | 74.2 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 176.4 | -65.7 | 172.1 | 0 | 0 | 0 | 111.5 | L255 L338 L339 Q345 L346 L362 L367 W370 | L255-L342 HydrophobicContact CD2-CB 3.91Å; L255-L342 HydrophobicContact CD2-CD1 4.2Å; L338-L342 HydrophobicContact CD1-CG 4.46Å; L338-L342 HydrophobicContact CG-CD1 4.17Å; L338-L342 HydrophobicContact CG-CG 4.5Å; L338-L342 WeakPolarHBondContact O-CG 3.31Å; L338-L342 PolarHBondContact O-N 3.27Å; L339-L342 PolarHBondContact O-N 3.47Å; L342-Q345 PolarHBondContact O-N 2.93Å; L342-L346 PolarHBondContact O-N 3.11Å; L342-L346 VanDerWaalsContact O-N 3.17Å; L342-L362 HydrophobicContact CD2-CD2 3.88Å; L342-L362 WeakPolarHBondContact O-CD1 3.32Å; L342-L367 HydrophobicContact CD1-CD1 3.8Å; L342-L367 HydrophobicContact CD2-CD1 3.89Å; L342-L367 HydrophobicContact CG-CD1 4.37Å; L342-W370 HydrophobicContact CD2-CB 4.35Å; L342-W370 HydrophobicContact CD2-CD2 4.15Å; L342-W370 HydrophobicContact CD2-CE3 3.69Å; L342-W370 HydrophobicContact CD2-CG 4.45Å; L342-W370 HydrophobicContact CD2-CZ3 4.37Å; L342-W370 HydrophobicContact CG-CE3 4.5Å |
| 343 | H | 84.3 | Confident | 76.6 | Confident | 62 Ų | 62 | 77.9 Ų | 77.9 | 29% | 0.287 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 174.1 | -93.2 | -59.9 | 0 | 0 | 0 | 112.9 | Q259 L339 S340 Q345 L346 Q347 | Q259-H343 PolarHBondContact NE2-CE1 2.9Å; Q259-H343 PolarHBondContact NE2-NE2 3.1Å; L339-H343 PolarHBondContact O-N 3.17Å; S340-H343 PolarHBondContact O-N 3.41Å; H343-Q345 VanDerWaalsContact C-N 3.27Å; H343-Q345 PolarHBondContact O-N 3.12Å; H343-L346 PolarHBondContact O-N 3.4Å; H343-L346 VanDerWaalsContact O-N 3.14Å; H343-Q347 PolarHBondContact O-N 2.75Å |
| 344 | S | 82.1 | Confident | 74.2 | Confident | 71 Ų | 71 | 74.7 Ų | 74.7 | 50% | 0.497 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.9 | -35.8 | 176.9 | -175.3 | 0 | 0 | 0 | 0 | 112.5 | S340 V341 L346 L348 | S340-S344 PolarHBondContact O-N 2.63Å; V341-S344 PolarHBondContact O-N 3.04Å; S344-L346 VanDerWaalsContact C-N 3.35Å; S344-L348 WeakPolarHBondContact O-CG 3.35Å; S344-L348 PolarHBondContact O-N 3.34Å |
| 345 | Q | 79.3 | Confident | 72.3 | Confident | 45 Ų | 45 | 79.3 Ų | 79.3 | 21% | 0.21 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -70.3 | -33 | 176.3 | -73.8 | -175.2 | -18.6 | 0 | 0 | 112.2 | V341 L342 H343 L362 | V341-Q345 PolarHBondContact O-N 3.3Å; V341-Q345 VanDerWaalsContact O-N 3.12Å; L342-Q345 PolarHBondContact O-N 2.93Å; H343-Q345 VanDerWaalsContact C-N 3.27Å; H343-Q345 PolarHBondContact O-N 3.12Å; Q345-L362 HydrophobicContact CB-CD1 3.45Å; Q345-L362 VanDerWaalsContact CB-CD1 3.45Å; Q345-L362 HydrophobicContact CB-CG 3.9Å |
| 346 | L | 76.6 | Confident | 69.8 | Low | 25 Ų | 25 | 86.1 Ų | 86.1 | 13% | 0.131 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -73.7 | -38.6 | 176.9 | -175.7 | 71.7 | 0 | 0 | 0 | 112 | V251 R252 L255 L342 H343 S344 L348 E349 L362 | V251-L346 HydrophobicContact CG1-CD1 4.24Å; R252-L346 HydrophobicContact CG-CD1 3.95Å; R252-L346 HydrophobicContact CG-CD2 3.62Å; R252-L346 HydrophobicContact CG-CG 4.29Å; L255-L346 HydrophobicContact CD1-CB 4.26Å; L255-L346 HydrophobicContact CD1-CD2 3.66Å; L255-L346 HydrophobicContact CD1-CG 4.45Å; L342-L346 PolarHBondContact O-N 3.11Å; L342-L346 VanDerWaalsContact O-N 3.17Å; H343-L346 PolarHBondContact O-N 3.4Å; H343-L346 VanDerWaalsContact O-N 3.14Å; S344-L346 VanDerWaalsContact C-N 3.35Å; L346-L348 VanDerWaalsContact C-N 3.3Å; L346-L348 PolarHBondContact O-N 3.25Å; L346-E349 WeakPolarHBondContact O-CB 3.45Å; L346-E349 PolarHBondContact O-N 3.13Å; L346-E349 VanDerWaalsContact O-N 3.11Å; L346-L362 HydrophobicContact CB-CD1 4.1Å |
| 347 | Q | 69.4 | Low | 67.4 | Low | 120 Ų | 120 | 84.7 Ų | 84.7 | 56% | 0.561 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.4 | -36.8 | 178.7 | -167.8 | 75.6 | 22.7 | 0 | 0 | 112.1 | H343 E349 D350 | H343-Q347 PolarHBondContact O-N 2.75Å; Q347-E349 PolarHBondContact O-N 3.33Å; Q347-D350 PolarHBondContact O-N 3.33Å |
| 348 | L | 64 | Low | 65.3 | Low | 105 Ų | 105 | 84.3 Ų | 84.3 | 55% | 0.55 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.6 | -22.3 | 176.4 | -69.8 | 172.8 | 0 | 0 | 0 | 113.1 | S344 L346 | S344-L348 WeakPolarHBondContact O-CG 3.35Å; S344-L348 PolarHBondContact O-N 3.34Å; L346-L348 VanDerWaalsContact C-N 3.3Å; L346-L348 PolarHBondContact O-N 3.25Å |
| 349 | E | 58.6 | Low | 63.1 | Low | 80 Ų | 80 | 90.3 Ų | 90.3 | 37% | 0.374 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -82.6 | -25.9 | 179.2 | -152 | 176.3 | 155 | 0 | 0 | 112.3 | L346 Q347 L362 | L346-E349 WeakPolarHBondContact O-CB 3.45Å; L346-E349 PolarHBondContact O-N 3.13Å; L346-E349 VanDerWaalsContact O-N 3.11Å; Q347-E349 PolarHBondContact O-N 3.33Å; E349-L362 PolarHBondContact OE2-N 2.84Å |
| 350 | D | 56.3 | Low | 61.5 | Low | 123 Ų | 123 | 92.8 Ų | 92.8 | 66% | 0.658 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -84 | -31.6 | -176.4 | -135.9 | 37.1 | 0 | 0 | 0 | 112.7 | Q347 | Q347-D350 PolarHBondContact O-N 3.33Å |
| 351 | D | 51.1 | Low | 60.3 | Low | 130 Ų | 130 | 90.7 Ų | 90.7 | 70% | 0.695 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -85.7 | -14.6 | -177.1 | -84 | -20 | 0 | 0 | 0 | 114.4 | ||
| 352 | Q | 46.8 | Very low | 59.6 | Low | 123 Ų | 123 | 88.2 Ų | 88.2 | 58% | 0.575 | 50% | 0.5 | S | S | * | . | trans | -130.9 | 88.2 | -179 | -68.5 | -179.8 | 42 | 0 | 0 | 110.7 | V354 | Q352-V354 PolarHBondContact O-N 2.91Š| ||
| 353 | G | 49.4 | Very low | 59.5 | Low | 87 Ų | 87 | 89.9 Ų | 89.9 | 90% | 0.897 | 51% | 0.51 | S | S | * | . | trans | -64.4 | 26.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 354 | V | 40.7 | Very low | 59.3 | Low | 105 Ų | 105 | 87 Ų | 87 | 64% | 0.636 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -117.1 | 116.8 | -179.7 | -153.7 | 0 | 0 | 0 | 0 | 107.4 | Q352 L356 | Q352-V354 PolarHBondContact O-N 2.91Å; V354-L356 VanDerWaalsContact C-N 3.27Å; V354-L356 PolarHBondContact O-N 3.17Å |
| 355 | N | 47.5 | Very low | 59.3 | Low | 172 Ų | 172 | 93.3 Ų | 93.3 | 92% | 0.92 | 51% | 0.51 | S | S | * | . | trans | -57.9 | 84.4 | 174 | -84.6 | -84.9 | 0 | 0 | 0 | 110.9 | ||||
| 356 | L | 39.3 | Very low | 59.4 | Low | 154 Ų | 154 | 94.8 Ų | 94.8 | 81% | 0.806 | 51% | 0.514 | S | S | * | . | trans | -121.8 | 98.6 | 167.9 | -127.1 | 80.5 | 0 | 0 | 0 | 109.1 | V354 | V354-L356 VanDerWaalsContact C-N 3.27Å; V354-L356 PolarHBondContact O-N 3.17Å | ||
| 357 | G | 39.7 | Very low | 59.9 | Low | 51 Ų | 51 | 93.6 Ų | 93.6 | 53% | 0.526 | 51% | 0.507 | S | S | . | . | trans | 99.9 | 89.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115 | E359 S360 | G357-E359 PolarHBondContact O-N 3.22Å; G357-S360 PolarHBondContact O-N 3.2Å | ||
| 358 | L | 46.4 | Very low | 60.6 | Low | 139 Ų | 139 | 90.7 Ų | 90.7 | 73% | 0.728 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | -13.3 | 165 | -174.8 | 60.8 | 0 | 0 | 0 | 113.7 | R366 | L358-R366 PolarHBondContact O-NH1 2.92Å; L358-R366 PolarHBondContact O-NH2 3.43Å |
| 359 | E | 44.8 | Very low | 61.7 | Low | 156 Ų | 156 | 90.8 Ų | 90.8 | 73% | 0.729 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -20.7 | -177.7 | -60.6 | -55 | 132.8 | 0 | 0 | 114.7 | G357 R366 | G357-E359 PolarHBondContact O-N 3.22Å; E359-R366 PolarHBondContact O-NH1 3.07Å |
| 360 | S | 52.9 | Low | 63 | Low | 62 Ų | 62 | 91.9 Ų | 91.9 | 43% | 0.434 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -4.7 | -174.4 | -163 | 0 | 0 | 0 | 0 | 116.5 | G357 | G357-S360 PolarHBondContact O-N 3.2Š|
| 361 | S | 63.5 | Low | 64.5 | Low | 34 Ų | 34 | 86.1 Ų | 86.1 | 24% | 0.238 | 47% | 0.47 | C | S | . | . | trans | -70.1 | 134.4 | 178.1 | 57.2 | 0 | 0 | 0 | 0 | 112 | T363 R366 | S361-T363 PolarHBondContact O-N 3.3Å; S361-R366 WeakPolarHBondContact O-CD 3.4Å; S361-R366 PolarHBondContact O-NH1 3Å | ||
| 362 | L | 72.4 | Confident | 66.3 | Low | 6 Ų | 6 | 87.6 Ų | 87.6 | 3% | 0.031 | 47% | 0.467 | C | S | . | . | trans | -80.3 | 108.9 | 178.8 | -94.4 | 165.4 | 0 | 0 | 0 | 109.7 | V251 L342 Q345 L346 E349 L367 | V251-L362 HydrophobicContact CG1-CB 4.08Å; L342-L362 HydrophobicContact CD2-CD2 3.88Å; L342-L362 WeakPolarHBondContact O-CD1 3.32Å; Q345-L362 HydrophobicContact CB-CD1 3.45Å; Q345-L362 VanDerWaalsContact CB-CD1 3.45Å; Q345-L362 HydrophobicContact CB-CG 3.9Å; L346-L362 HydrophobicContact CB-CD1 4.1Å; E349-L362 PolarHBondContact OE2-N 2.84Å; L362-L367 HydrophobicContact CD2-CD1 4.36Å | ||
| 363 | T | 83.9 | Confident | 68.1 | Low | 38 Ų | 38 | 86 Ų | 86 | 23% | 0.233 | 46% | 0.463 | C | S | . | . | trans | -98.7 | 158.6 | 172 | 62.4 | 0 | 0 | 0 | 0 | 110.8 | E247 S361 R365 R366 L367 | E247-T363 WeakPolarHBondContact OE1-CB 3.43Å; S361-T363 PolarHBondContact O-N 3.3Å; T363-R365 PolarHBondContact O-N 3.41Å; T363-R366 PolarHBondContact O-N 3.02Å; T363-R366 VanDerWaalsContact O-N 3.11Å; T363-R366 WeakPolarHBondContact OG1-CG 3.27Å; T363-R366 PolarHBondContact OG1-N 3.28Å; T363-L367 PolarHBondContact O-N 2.97Å | ||
| 364 | L | 81.2 | Confident | 69.9 | Low | 2 Ų | 2 | 82.6 Ų | 82.6 | 1% | 0.01 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.4 | -31.5 | 175.7 | -71.9 | 171.7 | 0 | 0 | 0 | 111.8 | E247 L250 V251 I254 L287 T290 L294 L368 | E247-L364 HydrophobicContact CG-CD1 3.91Å; E247-L364 HydrophobicContact CG-CG 3.89Å; E247-L364 PolarHBondContact OE1-N 3.33Å; L250-L364 HydrophobicContact CB-CD1 4.25Å; L250-L364 HydrophobicContact CB-CD2 4.33Å; L250-L364 HydrophobicContact CD1-CD1 4.03Å; V251-L364 HydrophobicContact CG2-CD2 3.82Å; V251-L364 HydrophobicContact CG2-CG 3.94Å; I254-L364 HydrophobicContact CG1-CD2 4.35Å; L287-L364 HydrophobicContact CD2-CD1 3.6Å; T290-L364 HydrophobicContact CG2-CB 4.21Å; L294-L364 HydrophobicContact CD1-CD2 3.98Å; L364-L368 WeakPolarHBondContact O-CB 3.33Å; L364-L368 PolarHBondContact O-N 3.41Å |
| 365 | R | 81.3 | Confident | 72 | Confident | 203 Ų | 203 | 79.1 Ų | 79.1 | 77% | 0.766 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -68 | -45 | 175.4 | -65.3 | -175.4 | -178.4 | -154.6 | 1.6 | 111.6 | T363 L367 L368 V369 | T363-R365 PolarHBondContact O-N 3.41Å; R365-L367 VanDerWaalsContact C-N 3.33Å; R365-L368 WeakPolarHBondContact O-CB 3.44Å; R365-L368 PolarHBondContact O-N 2.86Å; R365-V369 PolarHBondContact O-N 2.99Å |
| 366 | R | 82.6 | Confident | 74 | Confident | 76 Ų | 76 | 74.6 Ų | 74.6 | 29% | 0.287 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 174.6 | -77.4 | 178 | 174.5 | 161 | -0.6 | 110.4 | L358 E359 S361 T363 L368 V369 W370 | L358-R366 PolarHBondContact O-NH1 2.92Å; L358-R366 PolarHBondContact O-NH2 3.43Å; E359-R366 PolarHBondContact O-NH1 3.07Å; S361-R366 WeakPolarHBondContact O-CD 3.4Å; S361-R366 PolarHBondContact O-NH1 3Å; T363-R366 PolarHBondContact O-N 3.02Å; T363-R366 VanDerWaalsContact O-N 3.11Å; T363-R366 WeakPolarHBondContact OG1-CG 3.27Å; T363-R366 PolarHBondContact OG1-N 3.28Å; R366-L368 VanDerWaalsContact C-N 3.29Å; R366-L368 PolarHBondContact O-N 3.48Å; R366-V369 PolarHBondContact O-N 3.46Å; R366-V369 VanDerWaalsContact O-N 3.12Å; R366-W370 PolarHBondContact O-N 3.17Å |
| 367 | L | 85.2 | Confident | 76.2 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.1 | -39.4 | 177 | -161.1 | 73.6 | 0 | 0 | 0 | 112.4 | I254 L255 F258 L294 L342 L362 T363 R365 V369 W370 T371 | I254-L367 HydrophobicContact CB-CD2 4.09Å; I254-L367 HydrophobicContact CG2-CD2 3.41Å; I254-L367 VanDerWaalsContact CG2-CD2 3.41Å; L255-L367 HydrophobicContact CD2-CD1 4.18Å; F258-L367 HydrophobicContact CE2-CD1 4.12Å; F258-L367 HydrophobicContact CE2-CD2 4.04Å; F258-L367 HydrophobicContact CE2-CG 4.1Å; F258-L367 HydrophobicContact CZ-CD2 4.11Å; F258-L367 HydrophobicContact CZ-CG 4.36Å; L294-L367 HydrophobicContact CD1-CD2 4.06Å; L294-L367 HydrophobicContact CD2-CB 4.47Å; L294-L367 HydrophobicContact CD2-CD2 4.18Å; L294-L367 HydrophobicContact CD2-CG 4.19Å; L342-L367 HydrophobicContact CD1-CD1 3.8Å; L342-L367 HydrophobicContact CD2-CD1 3.89Å; L342-L367 HydrophobicContact CG-CD1 4.37Å; L362-L367 HydrophobicContact CD2-CD1 4.36Å; T363-L367 PolarHBondContact O-N 2.97Å; R365-L367 VanDerWaalsContact C-N 3.33Å; L367-V369 VanDerWaalsContact C-N 3.34Å; L367-V369 PolarHBondContact O-N 3.28Å; L367-W370 PolarHBondContact O-N 2.97Å; L367-T371 HydrophobicContact CG-CG2 4.3Å; L367-T371 VanDerWaalsContact O-CB 3.29Å; L367-T371 WeakPolarHBondContact O-CB 3.45Å; L367-T371 WeakPolarHBondContact O-CG2 3.43Å; L367-T371 PolarHBondContact O-N 3.26Å; L367-T371 PolarHBondContact O-OG1 3Å |
| 368 | L | 84.6 | Confident | 78.6 | Confident | 58 Ų | 58 | 68.9 Ų | 68.9 | 30% | 0.304 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 176.7 | -169.5 | 71.1 | 0 | 0 | 0 | 112.7 | R293 L294 L364 R365 R366 T371 Y372 | R293-L368 HydrophobicContact CB-CD1 4.46Å; L294-L368 HydrophobicContact CD2-CB 4.38Å; L294-L368 HydrophobicContact CD2-CD1 4.02Å; L294-L368 HydrophobicContact CG-CD1 4.21Å; L364-L368 WeakPolarHBondContact O-CB 3.33Å; L364-L368 PolarHBondContact O-N 3.41Å; R365-L368 WeakPolarHBondContact O-CB 3.44Å; R365-L368 PolarHBondContact O-N 2.86Å; R366-L368 VanDerWaalsContact C-N 3.29Å; R366-L368 PolarHBondContact O-N 3.48Å; L368-T371 PolarHBondContact O-OG1 3.3Å; L368-Y372 PolarHBondContact O-N 3.43Å |
| 369 | V | 86.7 | Confident | 80.7 | Confident | 107 Ų | 107 | 66.2 Ų | 66.2 | 65% | 0.648 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -70.5 | -46.7 | 177.2 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | R365 R366 L367 T371 Y372 | R365-V369 PolarHBondContact O-N 2.99Å; R366-V369 PolarHBondContact O-N 3.46Å; R366-V369 VanDerWaalsContact O-N 3.12Å; L367-V369 VanDerWaalsContact C-N 3.34Å; L367-V369 PolarHBondContact O-N 3.28Å; V369-T371 VanDerWaalsContact C-N 3.25Å; V369-T371 PolarHBondContact O-N 2.85Å; V369-Y372 VanDerWaalsContact O-CB 3.28Å; V369-Y372 WeakPolarHBondContact O-CB 3.12Å; V369-Y372 PolarHBondContact O-N 3.21Å |
| 370 | W | 87.2 | Confident | 82.8 | Confident | 103 Ų | 103 | 62.8 Ų | 62.8 | 39% | 0.39 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.9 | -30.9 | -178.5 | -78.8 | 54.7 | 0 | 0 | 0 | 112.8 | L338 V341 L342 R366 L367 | L338-W370 HydrophobicContact CD1-CE3 3.87Å; L338-W370 HydrophobicContact CD1-CZ3 4.38Å; V341-W370 HydrophobicContact CG1-CH2 4.28Å; V341-W370 HydrophobicContact CG1-CZ3 3.78Å; L342-W370 HydrophobicContact CD2-CB 4.35Å; L342-W370 HydrophobicContact CD2-CD2 4.15Å; L342-W370 HydrophobicContact CD2-CE3 3.69Å; L342-W370 HydrophobicContact CD2-CG 4.45Å; L342-W370 HydrophobicContact CD2-CZ3 4.37Å; L342-W370 HydrophobicContact CG-CE3 4.5Å; R366-W370 PolarHBondContact O-N 3.17Å; L367-W370 PolarHBondContact O-N 2.97Å |
| 371 | T | 87 | Confident | 84.5 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -2.7 | -179.7 | 56.9 | 0 | 0 | 0 | 0 | 113.6 | F258 L294 L297 L367 L368 V369 K375 | F258-T371 HydrophobicContact CE2-CG2 3.4Å; F258-T371 VanDerWaalsContact CE2-CG2 3.4Å; F258-T371 HydrophobicContact CZ-CG2 3.57Å; L294-T371 WeakPolarHBondContact CD2-OG1 3.35Å; L297-T371 HydrophobicContact CD1-CG2 4.19Å; L367-T371 HydrophobicContact CG-CG2 4.3Å; L367-T371 VanDerWaalsContact O-CB 3.29Å; L367-T371 WeakPolarHBondContact O-CB 3.45Å; L367-T371 WeakPolarHBondContact O-CG2 3.43Å; L367-T371 PolarHBondContact O-N 3.26Å; L367-T371 PolarHBondContact O-OG1 3Å; L368-T371 PolarHBondContact O-OG1 3.3Å; V369-T371 VanDerWaalsContact C-N 3.25Å; V369-T371 PolarHBondContact O-N 2.85Å; T371-K375 WeakPolarHBondContact O-CB 3.42Å; T371-K375 PolarHBondContact O-N 3.12Å |
| 372 | Y | 88.4 | Confident | 85.6 | Confident | 160 Ų | 160 | 59.6 Ų | 59.6 | 63% | 0.627 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.5 | -53.3 | -174.5 | -175.6 | -96.9 | 0 | 0 | 0 | 112.9 | L368 V369 K375 I376 | L368-Y372 PolarHBondContact O-N 3.43Å; V369-Y372 VanDerWaalsContact O-CB 3.28Å; V369-Y372 WeakPolarHBondContact O-CB 3.12Å; V369-Y372 PolarHBondContact O-N 3.21Å; Y372-K375 PolarHBondContact O-N 2.95Å; Y372-I376 HydrophobicContact CD1-CD1 3.96Å; Y372-I376 HydrophobicContact CE1-CD1 3.46Å; Y372-I376 VanDerWaalsContact CE1-CD1 3.46Å; Y372-I376 HydrophobicContact CE2-CD1 4.41Å; Y372-I376 WeakPolarHBondContact O-CG1 3.48Å; Y372-I376 PolarHBondContact O-N 3.45Å |
| 373 | D | 84.4 | Confident | 86.4 | Confident | 91 Ų | 91 | 61.3 Ų | 61.3 | 49% | 0.487 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.2 | -50.2 | 179.9 | 178.2 | -87.6 | 0 | 0 | 0 | 112.8 | K375 I376 R377 | D373-K375 PolarHBondContact O-N 3.25Å; D373-I376 PolarHBondContact O-N 3.3Å; D373-I376 VanDerWaalsContact O-N 3.09Å; D373-R377 PolarHBondContact O-N 3.46Å; D373-R377 VanDerWaalsContact O-N 3.12Å; D373-R377 VanDerWaalsContact OD1-CD 3.29Å; D373-R377 WeakPolarHBondContact OD1-CD 3.34Å; D373-R377 IonicContact OD1-NH1 3.83Å |
| 374 | P | 88.3 | Confident | 86.5 | Confident | 15 Ų | 15 | 62.7 Ų | 62.7 | 10% | 0.097 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.2 | -38.3 | 174.5 | -22.1 | 26.3 | 0 | 0 | 0 | 113 | Y335 L338 I376 R377 L378 | Y335-P374 HydrophobicContact CD2-CB 4.39Å; L338-P374 HydrophobicContact CD2-CB 4.22Å; L338-P374 HydrophobicContact CD2-CG 3.28Å; P374-I376 PolarHBondContact O-N 2.85Å; P374-R377 PolarHBondContact O-N 3.14Å; P374-L378 VanDerWaalsContact O-CB 3.3Å; P374-L378 WeakPolarHBondContact O-CB 3.23Å; P374-L378 WeakPolarHBondContact O-CD1 3.5Å; P374-L378 VanDerWaalsContact O-CG 3.3Å; P374-L378 WeakPolarHBondContact O-CG 3.47Å; P374-L378 PolarHBondContact O-N 3.4Å |
| 375 | K | 85.6 | Confident | 86.8 | Confident | 31 Ų | 31 | 62.6 Ų | 62.6 | 14% | 0.135 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 178.3 | -174.8 | 170.3 | 177.9 | 169.9 | 0 | 111.8 | R293 E296 L297 T371 Y372 D373 K379 | R293-K375 PolarHBondContact O-NZ 3.01Å; E296-K375 WeakPolarHBondContact OE2-CE 3.32Å; E296-K375 IonicContact OE2-NZ 3.54Å; E296-K375 PolarHBondContact OE2-NZ 3.49Å; L297-K375 HydrophobicContact CD1-CB 3.98Å; T371-K375 WeakPolarHBondContact O-CB 3.42Å; T371-K375 PolarHBondContact O-N 3.12Å; Y372-K375 PolarHBondContact O-N 2.95Å; D373-K375 PolarHBondContact O-N 3.25Å; K375-K379 VanDerWaalsContact O-CG 3.31Å; K375-K379 WeakPolarHBondContact O-CG 3.14Å; K375-K379 PolarHBondContact O-N 2.77Å |
| 376 | I | 87.7 | Confident | 87.1 | Confident | 78 Ų | 78 | 56.2 Ų | 56.2 | 40% | 0.4 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.8 | -46.3 | -180 | -66.2 | 169 | 0 | 0 | 0 | 109.8 | Y372 D373 P374 K379 T380 | Y372-I376 HydrophobicContact CD1-CD1 3.96Å; Y372-I376 HydrophobicContact CE1-CD1 3.46Å; Y372-I376 VanDerWaalsContact CE1-CD1 3.46Å; Y372-I376 HydrophobicContact CE2-CD1 4.41Å; Y372-I376 WeakPolarHBondContact O-CG1 3.48Å; Y372-I376 PolarHBondContact O-N 3.45Å; D373-I376 PolarHBondContact O-N 3.3Å; D373-I376 VanDerWaalsContact O-N 3.09Å; P374-I376 PolarHBondContact O-N 2.85Å; I376-K379 WeakPolarHBondContact O-CB 3.48Å; I376-K379 PolarHBondContact O-N 3.17Å; I376-T380 PolarHBondContact O-N 3.02Å; I376-T380 VanDerWaalsContact O-N 3.11Å; I376-T380 PolarHBondContact O-OG1 2.91Å |
| 377 | R | 87.3 | Confident | 87 | Confident | 78 Ų | 78 | 59.9 Ų | 59.9 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.2 | -50.2 | 177.5 | -69.3 | 168.9 | 59.5 | -168.2 | 5.4 | 111.9 | E331 D373 P374 K379 T380 L381 | E331-R377 IonicContact OE1-CZ 3.21Å; E331-R377 IonicContact OE1-NH2 3.73Å; E331-R377 PolarHBondContact OE1-NH2 2.95Å; E331-R377 IonicContact OE2-CZ 3.84Å; E331-R377 IonicContact OE2-NE 2.89Å; E331-R377 PolarHBondContact OE2-NE 3.49Å; E331-R377 IonicContact OE2-NH2 3.17Å; E331-R377 PolarHBondContact OE2-NH2 3.44Å; D373-R377 PolarHBondContact O-N 3.46Å; D373-R377 VanDerWaalsContact O-N 3.12Å; D373-R377 VanDerWaalsContact OD1-CD 3.29Å; D373-R377 WeakPolarHBondContact OD1-CD 3.34Å; D373-R377 IonicContact OD1-NH1 3.83Å; P374-R377 PolarHBondContact O-N 3.14Å; R377-K379 VanDerWaalsContact C-N 3.29Å; R377-K379 PolarHBondContact O-N 3.07Å; R377-T380 PolarHBondContact O-N 3.39Å; R377-T380 VanDerWaalsContact O-N 3.17Å; R377-L381 WeakPolarHBondContact O-CG 3.43Å; R377-L381 PolarHBondContact O-N 3.28Å |
| 378 | L | 88.6 | Confident | 86.5 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 4% | 0.037 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.1 | -37 | 176.9 | -77.4 | 157.6 | 0 | 0 | 0 | 112.2 | L297 L300 I304 L332 Y335 P374 L381 A382 | L297-L378 HydrophobicContact CD1-CD1 4.33Å; L297-L378 HydrophobicContact CD2-CD1 4.3Å; L297-L378 HydrophobicContact CG-CD1 4.02Å; L300-L378 HydrophobicContact CB-CB 4.17Å; L300-L378 HydrophobicContact CD1-CB 4.38Å; I304-L378 HydrophobicContact CD1-CB 4.39Å; I304-L378 HydrophobicContact CD1-CD2 3.53Å; I304-L378 WeakPolarHBondContact CD1-O 3.15Å; L332-L378 HydrophobicContact CD2-CD2 4.41Å; Y335-L378 HydrophobicContact CD2-CD1 3.79Å; Y335-L378 HydrophobicContact CE2-CD1 4.07Å; Y335-L378 HydrophobicContact CG-CD1 4.39Å; P374-L378 VanDerWaalsContact O-CB 3.3Å; P374-L378 WeakPolarHBondContact O-CB 3.23Å; P374-L378 WeakPolarHBondContact O-CD1 3.5Å; P374-L378 VanDerWaalsContact O-CG 3.3Å; P374-L378 WeakPolarHBondContact O-CG 3.47Å; P374-L378 PolarHBondContact O-N 3.4Å; L378-L381 PolarHBondContact O-N 2.86Å; L378-A382 VanDerWaalsContact O-CB 3.27Å; L378-A382 WeakPolarHBondContact O-CB 2.86Å; L378-A382 PolarHBondContact O-N 3.33Å |
| 379 | K | 90.5 | Very high | 85.7 | Confident | 82 Ų | 82 | 63.3 Ų | 63.3 | 36% | 0.357 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 174.6 | -78.6 | -176.4 | 177.8 | -159.4 | 0 | 112.3 | E296 L300 K375 I376 R377 A382 A383 | E296-K379 VanDerWaalsContact CD-CE 3.46Å; E296-K379 VanDerWaalsContact CD-NZ 3.25Å; E296-K379 WeakPolarHBondContact OE1-CE 3.34Å; E296-K379 IonicContact OE1-NZ 2.83Å; E296-K379 PolarHBondContact OE1-NZ 3.12Å; E296-K379 IonicContact OE2-NZ 2.94Å; E296-K379 PolarHBondContact OE2-NZ 3.48Å; E296-K379 VanDerWaalsContact OE2-NZ 3.11Å; L300-K379 HydrophobicContact CD1-CB 4.43Å; L300-K379 HydrophobicContact CD1-CD 4.43Å; L300-K379 HydrophobicContact CD1-CG 3.4Å; L300-K379 HydrophobicContact CD2-CG 4.26Å; L300-K379 HydrophobicContact CG-CG 4.49Å; K375-K379 VanDerWaalsContact O-CG 3.31Å; K375-K379 WeakPolarHBondContact O-CG 3.14Å; K375-K379 PolarHBondContact O-N 2.77Å; I376-K379 WeakPolarHBondContact O-CB 3.48Å; I376-K379 PolarHBondContact O-N 3.17Å; R377-K379 VanDerWaalsContact C-N 3.29Å; R377-K379 PolarHBondContact O-N 3.07Å; K379-A382 PolarHBondContact O-N 3.08Å; K379-A383 PolarHBondContact O-N 3.08Å |
| 380 | T | 88.9 | Confident | 83.9 | Confident | 84 Ų | 84 | 59.9 Ų | 59.9 | 52% | 0.515 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 178.1 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | I376 R377 A383 L384 | I376-T380 PolarHBondContact O-N 3.02Å; I376-T380 VanDerWaalsContact O-N 3.11Å; I376-T380 PolarHBondContact O-OG1 2.91Å; R377-T380 PolarHBondContact O-N 3.39Å; R377-T380 VanDerWaalsContact O-N 3.17Å; T380-A383 PolarHBondContact O-N 2.69Å; T380-L384 WeakPolarHBondContact O-CG 3.48Å; T380-L384 PolarHBondContact O-N 3.09Å |
| 381 | L | 88.3 | Confident | 81.5 | Confident | 26 Ų | 26 | 61.6 Ų | 61.6 | 14% | 0.136 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 176.9 | -64.5 | 175.2 | 0 | 0 | 0 | 112.4 | I304 L328 E331 R377 L378 A383 L384 V385 | I304-L381 HydrophobicContact CD1-CB 3.74Å; I304-L381 HydrophobicContact CG1-CB 4.46Å; L328-L381 HydrophobicContact CD2-CB 4.08Å; L328-L381 HydrophobicContact CD2-CD1 4.39Å; L328-L381 HydrophobicContact CD2-CD2 3.96Å; L328-L381 HydrophobicContact CD2-CG 4.35Å; E331-L381 HydrophobicContact CB-CD1 3.44Å; E331-L381 VanDerWaalsContact CB-CD1 3.44Å; E331-L381 HydrophobicContact CG-CD1 3.62Å; E331-L381 HydrophobicContact CG-CD2 4.48Å; R377-L381 WeakPolarHBondContact O-CG 3.43Å; R377-L381 PolarHBondContact O-N 3.28Å; L378-L381 PolarHBondContact O-N 2.86Å; L381-A383 VanDerWaalsContact C-N 3.31Å; L381-A383 PolarHBondContact O-N 3.44Å; L381-L384 HydrophobicContact CD2-CD1 4.36Å; L381-L384 PolarHBondContact O-N 3.41Å; L381-V385 WeakPolarHBondContact O-CB 3.45Å; L381-V385 VanDerWaalsContact O-CG2 3.32Å; L381-V385 WeakPolarHBondContact O-CG2 3.46Å; L381-V385 PolarHBondContact O-N 2.87Å |
| 382 | A | 87.6 | Confident | 79 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 3% | 0.025 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | L300 K303 I304 L378 K379 V385 D386 | L300-A382 HydrophobicContact CD2-CB 3.56Å; K303-A382 HydrophobicContact CD-CB 4.39Å; I304-A382 HydrophobicContact CD1-CB 4.34Å; I304-A382 HydrophobicContact CG1-CB 4.33Å; L378-A382 VanDerWaalsContact O-CB 3.27Å; L378-A382 WeakPolarHBondContact O-CB 2.86Å; L378-A382 PolarHBondContact O-N 3.33Å; K379-A382 PolarHBondContact O-N 3.08Å; A382-V385 PolarHBondContact O-N 3.25Å; A382-D386 PolarHBondContact O-N 3.1Å |
| 383 | A | 88.4 | Confident | 76.6 | Confident | 43 Ų | 43 | 70.6 Ų | 70.6 | 36% | 0.355 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | K379 T380 L381 V385 D386 H387 | K379-A383 PolarHBondContact O-N 3.08Å; T380-A383 PolarHBondContact O-N 2.69Å; L381-A383 VanDerWaalsContact C-N 3.31Å; L381-A383 PolarHBondContact O-N 3.44Å; A383-V385 VanDerWaalsContact C-N 3.33Å; A383-V385 PolarHBondContact O-N 3.13Å; A383-D386 WeakPolarHBondContact O-CB 3.29Å; A383-D386 PolarHBondContact O-N 3.08Å; A383-H387 PolarHBondContact O-N 3.04Å; A383-H387 PolarHBondContact O-ND1 2.67Å |
| 384 | L | 87.1 | Confident | 74.2 | Confident | 67 Ų | 67 | 71.2 Ų | 71.2 | 35% | 0.351 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 175.5 | -69 | 172.3 | 0 | 0 | 0 | 111.8 | F324 T380 L381 D386 H387 C388 | F324-L384 HydrophobicContact CE2-CB 4.29Å; F324-L384 HydrophobicContact CE2-CD1 4.4Å; F324-L384 HydrophobicContact CZ-CB 4Å; T380-L384 WeakPolarHBondContact O-CG 3.48Å; T380-L384 PolarHBondContact O-N 3.09Å; L381-L384 HydrophobicContact CD2-CD1 4.36Å; L381-L384 PolarHBondContact O-N 3.41Å; L384-D386 VanDerWaalsContact C-N 3.28Å; L384-D386 PolarHBondContact O-N 3.41Å; L384-H387 PolarHBondContact O-N 3.48Å; L384-H387 VanDerWaalsContact O-N 3.17Å; L384-C388 PolarHBondContact O-N 3.27Å; L384-C388 PolarHBondContact O-SG 2.85Å |
| 385 | V | 87.6 | Confident | 71.6 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.2 | -40.5 | 175.9 | 165 | 0 | 0 | 0 | 0 | 111.5 | Y307 F324 L328 L381 A382 A383 H387 C388 Q389 | Y307-V385 HydrophobicContact CD1-CB 4.45Å; Y307-V385 HydrophobicContact CD1-CG1 3.98Å; Y307-V385 HydrophobicContact CD1-CG2 3.76Å; Y307-V385 HydrophobicContact CD2-CG1 3.66Å; Y307-V385 HydrophobicContact CE1-CG2 4.2Å; Y307-V385 HydrophobicContact CE2-CG1 4.29Å; Y307-V385 HydrophobicContact CG-CB 4.38Å; Y307-V385 HydrophobicContact CG-CG1 3.44Å; Y307-V385 VanDerWaalsContact CG-CG1 3.44Å; Y307-V385 HydrophobicContact CG-CG2 4.11Å; F324-V385 HydrophobicContact CE1-CG2 4.48Å; F324-V385 HydrophobicContact CZ-CG2 4.38Å; L328-V385 HydrophobicContact CD1-CG2 3.84Å; L328-V385 HydrophobicContact CD2-CG2 4.2Å; L381-V385 WeakPolarHBondContact O-CB 3.45Å; L381-V385 VanDerWaalsContact O-CG2 3.32Å; L381-V385 WeakPolarHBondContact O-CG2 3.46Å; L381-V385 PolarHBondContact O-N 2.87Å; A382-V385 PolarHBondContact O-N 3.25Å; A383-V385 VanDerWaalsContact C-N 3.33Å; A383-V385 PolarHBondContact O-N 3.13Å; V385-H387 PolarHBondContact O-N 2.74Å; V385-C388 CarbonylContact O-C 3.55Å; V385-C388 PolarHBondContact O-N 3.33Å; V385-C388 VanDerWaalsContact O-N 3.17Å; V385-Q389 HydrophobicContact CG1-CG 4.41Å; V385-Q389 WeakPolarHBondContact O-CG 3.16Å; V385-Q389 PolarHBondContact O-N 3.35Å |
| 386 | D | 86.1 | Confident | 69.1 | Low | 69 Ų | 69 | 79 Ų | 79 | 37% | 0.369 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 176 | -72.9 | -33.1 | 0 | 0 | 0 | 112.6 | K303 A382 A383 L384 C388 Q389 | K303-D386 WeakPolarHBondContact CE-OD1 3.47Å; K303-D386 IonicContact NZ-OD1 2.63Å; K303-D386 PolarHBondContact NZ-OD1 3.03Å; K303-D386 IonicContact NZ-OD2 3.04Å; K303-D386 PolarHBondContact NZ-OD2 3.28Å; A382-D386 PolarHBondContact O-N 3.1Å; A383-D386 WeakPolarHBondContact O-CB 3.29Å; A383-D386 PolarHBondContact O-N 3.08Å; L384-D386 VanDerWaalsContact C-N 3.28Å; L384-D386 PolarHBondContact O-N 3.41Å; D386-C388 PolarHBondContact O-N 3.31Å; D386-Q389 PolarHBondContact O-N 3.34Å |
| 387 | H | 82.1 | Confident | 66.6 | Low | 152 Ų | 152 | 81.4 Ų | 81.4 | 70% | 0.704 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -66.6 | -30.2 | 177 | -67.8 | 79.1 | 0 | 0 | 0 | 111.8 | A383 L384 V385 | A383-H387 PolarHBondContact O-N 3.04Å; A383-H387 PolarHBondContact O-ND1 2.67Å; L384-H387 PolarHBondContact O-N 3.48Å; L384-H387 VanDerWaalsContact O-N 3.17Å; V385-H387 PolarHBondContact O-N 2.74Å |
| 388 | C | 74.3 | Confident | 64.2 | Low | 39 Ų | 39 | 85.3 Ų | 85.3 | 26% | 0.264 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -85.1 | -6.3 | 177.5 | -60 | 0 | 0 | 0 | 0 | 114.4 | Y307 F324 L384 V385 D386 | Y307-C388 HydrophobicContact CE2-CB 4.4Å; Y307-C388 VanDerWaalsContact OH-CB 3.22Å; Y307-C388 WeakPolarHBondContact OH-CB 3.48Å; F324-C388 HydrophobicContact CE1-CB 4.38Å; L384-C388 PolarHBondContact O-N 3.27Å; L384-C388 PolarHBondContact O-SG 2.85Å; V385-C388 CarbonylContact O-C 3.55Å; V385-C388 PolarHBondContact O-N 3.33Å; V385-C388 VanDerWaalsContact O-N 3.17Å; D386-C388 PolarHBondContact O-N 3.31Å |
| 389 | Q | 67.8 | Low | 61.6 | Low | 92 Ų | 92 | 90.7 Ų | 90.7 | 43% | 0.43 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -91.5 | -17.8 | 174.9 | -76.5 | -178.2 | 23.7 | 0 | 0 | 113.1 | Y307 V385 D386 | Y307-Q389 HydrophobicContact CD2-CG 3.64Å; Y307-Q389 HydrophobicContact CE2-CG 3.7Å; V385-Q389 HydrophobicContact CG1-CG 4.41Å; V385-Q389 WeakPolarHBondContact O-CG 3.16Å; V385-Q389 PolarHBondContact O-N 3.35Å; D386-Q389 PolarHBondContact O-N 3.34Å |
| 390 | G | 49.1 | Very low | 58.7 | Low | 34 Ų | 34 | 95.2 Ų | 95.2 | 35% | 0.351 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -63.3 | 152.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T392 | G390-T392 PolarHBondContact O-N 2.93Š|
| 391 | P | 37.3 | Very low | 55.9 | Low | 139 Ų | 139 | 96.7 Ų | 96.7 | 90% | 0.903 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -76.4 | 69.7 | 179.4 | 33.9 | -34.3 | 0 | 0 | 0 | 110.1 | ||
| 392 | T | 33.1 | Very low | 53.3 | Low | 104 Ų | 104 | 102.3 Ų | 102.3 | 64% | 0.638 | 56% | 0.56 | S | S | * | * | trans | -138.3 | 100.1 | 169.5 | 9.5 | 0 | 0 | 0 | 0 | 108.9 | G390 V394 | G390-T392 PolarHBondContact O-N 2.93Å; T392-V394 HydrophobicContact CG2-CG2 4.41Å; T392-V394 PolarHBondContact O-N 3.29Å | ||
| 393 | R | 37.4 | Very low | 50.6 | Low | 248 Ų | 248 | 112.2 Ų | 112.2 | 94% | 0.936 | 60% | 0.597 | S | S | * | * | trans | -65.1 | 63.3 | 161.3 | -71.7 | -175.4 | 171.3 | -158.9 | -1.5 | 110 | ||||
| 394 | V | 35.8 | Very low | 47.8 | Very low | 105 Ų | 105 | 116.8 Ų | 116.8 | 64% | 0.636 | 62% | 0.615 | S | S | * | * | trans | -162.3 | 113.3 | 163.6 | -123.4 | 0 | 0 | 0 | 0 | 106.4 | T392 P396 | T392-V394 HydrophobicContact CG2-CG2 4.41Å; T392-V394 PolarHBondContact O-N 3.29Å; V394-P396 WeakPolarHBondContact O-CD 3.18Å | ||
| 395 | F | 33.8 | Very low | 44.9 | Very low | 108 Ų | 108 | 122.6 Ų | 122.6 | 47% | 0.474 | 64% | 0.638 | S | S | . | * | trans | -60.1 | 115.9 | 156.1 | -78.6 | -85.5 | 0 | 0 | 0 | 106.2 | V320 T397 | V320-F395 HydrophobicContact CB-CD2 4.44Å; V320-F395 HydrophobicContact CB-CE2 4.07Å; V320-F395 HydrophobicContact CB-CZ 4.34Å; V320-F395 HydrophobicContact CG1-CD1 4.18Å; V320-F395 HydrophobicContact CG1-CD2 4.13Å; V320-F395 HydrophobicContact CG1-CE1 3.93Å; V320-F395 HydrophobicContact CG1-CE2 3.87Å; V320-F395 HydrophobicContact CG1-CG 4.28Å; V320-F395 HydrophobicContact CG1-CZ 3.77Å; F395-T397 PolarHBondContact O-N 2.75Å | ||
| 396 | P | 32 | Very low | 42 | Very low | 100 Ų | 100 | 128.7 Ų | 128.7 | 65% | 0.649 | 68% | 0.677 | S | S | * | * | trans | -74.3 | 101.5 | 173.3 | -5 | 23.1 | 0 | 0 | 0 | 106.4 | V394 H398 | V394-P396 WeakPolarHBondContact O-CD 3.18Å; P396-H398 PolarHBondContact O-N 3.12Å | ||
| 397 | T | 36.3 | Very low | 39.5 | Very low | 129 Ų | 129 | 131 Ų | 131 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -71.3 | -3.1 | 169.8 | 8.7 | 0 | 0 | 0 | 0 | 112.6 | F395 | F395-T397 PolarHBondContact O-N 2.75Š|
| 398 | H | 36.4 | Very low | 37 | Very low | 160 Ų | 160 | 134.5 Ų | 134.5 | 74% | 0.741 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -141.3 | 131.8 | 175.9 | -78.2 | -88.2 | 0 | 0 | 0 | 111 | P396 | P396-H398 PolarHBondContact O-N 3.12Š|
| 399 | V | 34 | Very low | 34.8 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | trans | 83.1 | 84.6 | 169.2 | -159.6 | 0 | 0 | 0 | 0 | 115.5 | P401 | V399-P401 WeakPolarHBondContact O-CD 3.5Š| ||
| 400 | F | 28.9 | Very low | 32.8 | Very low | 176 Ų | 176 | 143.9 Ų | 143.9 | 77% | 0.772 | 74% | 0.743 | S | S | * | * | trans | -73 | 119 | 147.6 | -71.3 | -82.9 | 0 | 0 | 0 | 108.2 | T402 | F400-T402 PolarHBondContact O-N 2.84Š| ||
| 401 | P | 29.5 | Very low | 31.8 | Very low | 116 Ų | 116 | 147.7 Ų | 147.7 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | trans | -71.3 | 111.6 | 172.2 | -13.8 | 29.7 | 0 | 0 | 0 | 109.1 | V399 R403 | V399-P401 WeakPolarHBondContact O-CD 3.5Å; P401-R403 PolarHBondContact O-N 2.94Å; P401-R403 VanDerWaalsContact O-N 3.16Å | ||
| 402 | T | 35.3 | Very low | 31.7 | Very low | 144 Ų | 144 | 147.4 Ų | 147.4 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | trans | -68.7 | 103.2 | 166.3 | -30.7 | 0 | 0 | 0 | 0 | 107.3 | F400 | F400-T402 PolarHBondContact O-N 2.84Š| ||
| 403 | R | 30.5 | Very low | 31.6 | Very low | 211 Ų | 211 | 151.6 Ų | 151.6 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | -148.1 | 110.3 | 162.3 | -114.6 | 178.2 | 149.7 | 158.8 | -2.7 | 112.5 | P401 | P401-R403 PolarHBondContact O-N 2.94Å; P401-R403 VanDerWaalsContact O-N 3.16Å | ||
| 404 | D | 29.1 | Very low | 31.1 | Very low | 138 Ų | 138 | 146.8 Ų | 146.8 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | 70.9 | 61.7 | 152.7 | -47.7 | -28.5 | 0 | 0 | 0 | 118.3 | ||||
| 405 | F | 26.4 | Very low | 30.7 | Very low | 189 Ų | 189 | 151 Ų | 151 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | -89.5 | 131.4 | 146.8 | -75.2 | -83.3 | 0 | 0 | 0 | 109.1 | T407 | F405-T407 PolarHBondContact O-N 2.74Å; F405-T407 VanDerWaalsContact O-N 3.08Å | ||
| 406 | P | 26.7 | Very low | 30.4 | Very low | 129 Ų | 129 | 151 Ų | 151 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | trans | -62.5 | 114.3 | 174 | -16.7 | 29.1 | 0 | 0 | 0 | 110.1 | R408 | P406-R408 PolarHBondContact O-N 2.71Š| ||
| 407 | T | 34.6 | Very low | 30.1 | Very low | 118 Ų | 118 | 154.3 Ų | 154.3 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | trans | -65.3 | 115.6 | -179.5 | -31.5 | 0 | 0 | 0 | 0 | 110.7 | F405 | F405-T407 PolarHBondContact O-N 2.74Å; F405-T407 VanDerWaalsContact O-N 3.08Å | ||
| 408 | R | 28.3 | Very low | 29.8 | Very low | 225 Ų | 225 | 155.9 Ų | 155.9 | 85% | 0.849 | 78% | 0.782 | S | S | * | * | trans | -135.2 | 93.5 | 143.4 | -72.2 | -170.3 | 95.3 | 160.7 | 3.9 | 108.9 | P406 | P406-R408 PolarHBondContact O-N 2.71Š| ||
| 409 | D | 27.8 | Very low | 29.4 | Very low | 140 Ų | 140 | 154.3 Ų | 154.3 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | 51.2 | 81.5 | 151.2 | -50.7 | -31 | 0 | 0 | 0 | 117.8 | ||||
| 410 | F | 25.9 | Very low | 29.1 | Very low | 188 Ų | 188 | 157.1 Ų | 157.1 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 130.3 | 158.3 | -68.7 | -88.6 | 0 | 0 | 0 | 110.4 | ||
| 411 | P | 28.6 | Very low | 29 | Very low | 114 Ų | 114 | 154.4 Ų | 154.4 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 120.1 | 153.6 | 3.7 | 15.1 | 0 | 0 | 0 | 108.9 | R413 | P411-R413 PolarHBondContact O-N 2.79Š|
| 412 | T | 34.5 | Very low | 28.9 | Very low | 132 Ų | 132 | 155.1 Ų | 155.1 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 118.4 | 165.4 | -39.3 | 0 | 0 | 0 | 0 | 109.5 | ||
| 413 | R | 30.6 | Very low | 28.5 | Very low | 192 Ų | 192 | 158.8 Ų | 158.8 | 73% | 0.725 | 79% | 0.786 | S | S | * | * | trans | -108.6 | 121.3 | 164.2 | -78.4 | -175.5 | 87.6 | 167 | 1.9 | 108.2 | P411 | P411-R413 PolarHBondContact O-N 2.79Š| ||
| 414 | D | 28.1 | Very low | 28.5 | Very low | 148 Ų | 148 | 155 Ų | 155 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -51.8 | 136.1 | 171.8 | -60.6 | -64.3 | 0 | 0 | 0 | 112.1 | P416 | D414-P416 WeakPolarHBondContact O-CD 3.35Š| ||
| 415 | F | 27.1 | Very low | 28.3 | Very low | 194 Ų | 194 | 156.9 Ų | 156.9 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -64.1 | 126.8 | 165 | -77.4 | -95.9 | 0 | 0 | 0 | 109.7 | M417 | F415-M417 PolarHBondContact O-N 3.47Å; F415-M417 VanDerWaalsContact O-N 3.13Å | ||
| 416 | P | 27.6 | Very low | 28.3 | Very low | 106 Ų | 106 | 153.3 Ų | 153.3 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | trans | -72.1 | 103.1 | 159.6 | -7.9 | 24.6 | 0 | 0 | 0 | 108.2 | D414 H418 | D414-P416 WeakPolarHBondContact O-CD 3.35Å; P416-H418 VanDerWaalsContact C-N 3.35Å; P416-H418 PolarHBondContact O-N 3.2Å | ||
| 417 | M | 26.6 | Very low | 28.3 | Very low | 170 Ų | 170 | 153.5 Ų | 153.5 | 84% | 0.837 | 78% | 0.783 | S | S | * | * | trans | -60.4 | 99.6 | 155.7 | -85.5 | -91.9 | -77.3 | 0 | 0 | 107.7 | F415 V419 | F415-M417 PolarHBondContact O-N 3.47Å; F415-M417 VanDerWaalsContact O-N 3.13Å; M417-V419 PolarHBondContact O-N 3.46Å | ||
| 418 | H | 28.1 | Very low | 27.9 | Very low | 162 Ų | 162 | 158.7 Ų | 158.7 | 75% | 0.75 | 79% | 0.789 | S | S | * | * | trans | -66.7 | 105.1 | 162.6 | -87.4 | -80.3 | 0 | 0 | 0 | 108.1 | P416 F420 | P416-H418 VanDerWaalsContact C-N 3.35Å; P416-H418 PolarHBondContact O-N 3.2Å; H418-F420 PolarHBondContact O-N 2.88Å; H418-F420 VanDerWaalsContact O-N 3.12Å | ||
| 419 | V | 28.4 | Very low | 28 | Very low | 128 Ų | 128 | 153.5 Ų | 153.5 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -62 | 108.6 | 163 | 176.9 | 0 | 0 | 0 | 0 | 107.1 | M417 | M417-V419 PolarHBondContact O-N 3.46Š| ||
| 420 | F | 27.4 | Very low | 27.9 | Very low | 180 Ų | 180 | 158 Ų | 158 | 79% | 0.789 | 79% | 0.789 | S | S | * | * | trans | -63.6 | 129.5 | 167.1 | -75.4 | -92 | 0 | 0 | 0 | 108.8 | H418 T422 | H418-F420 PolarHBondContact O-N 2.88Å; H418-F420 VanDerWaalsContact O-N 3.12Å; F420-T422 PolarHBondContact O-N 3.22Å; F420-T422 VanDerWaalsContact O-N 3.07Å | ||
| 421 | P | 27.5 | Very low | 27.9 | Very low | 119 Ų | 119 | 157 Ų | 157 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -67.7 | 108.9 | 164.6 | 21.1 | -20.6 | 0 | 0 | 0 | 108.3 | R423 | P421-R423 PolarHBondContact O-N 2.77Š| ||
| 422 | T | 27 | Very low | 27.9 | Very low | 130 Ų | 130 | 157.1 Ų | 157.1 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | -53.6 | 104.5 | 167.3 | 33.2 | 0 | 0 | 0 | 0 | 109.7 | F420 V424 | F420-T422 PolarHBondContact O-N 3.22Å; F420-T422 VanDerWaalsContact O-N 3.07Å; T422-V424 PolarHBondContact O-N 2.9Å | ||
| 423 | R | 27.7 | Very low | 27.6 | Very low | 222 Ų | 222 | 158.1 Ų | 158.1 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -72.1 | 111.7 | 155.7 | -75.6 | -166.9 | 177.1 | -156.8 | 0.6 | 107.2 | P421 F425 | P421-R423 PolarHBondContact O-N 2.77Å; R423-F425 HydrophobicContact CB-CE2 4.44Å; R423-F425 PolarHBondContact O-N 3.17Å; R423-F425 VanDerWaalsContact O-N 3.12Å | ||
| 424 | V | 29.3 | Very low | 27.6 | Very low | 132 Ų | 132 | 154.5 Ų | 154.5 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | -59.9 | 108.5 | 171.6 | -178.7 | 0 | 0 | 0 | 0 | 108 | T422 | T422-V424 PolarHBondContact O-N 2.9Š| ||
| 425 | F | 25.1 | Very low | 27.5 | Very low | 177 Ų | 177 | 156.8 Ų | 156.8 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -94.5 | 125.6 | 161.6 | -81.4 | -84.1 | 0 | 0 | 0 | 107.9 | R423 T427 | R423-F425 HydrophobicContact CB-CE2 4.44Å; R423-F425 PolarHBondContact O-N 3.17Å; R423-F425 VanDerWaalsContact O-N 3.12Å; F425-T427 PolarHBondContact O-N 3.19Å | ||
| 426 | P | 27.8 | Very low | 27.6 | Very low | 113 Ų | 113 | 157.3 Ų | 157.3 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -67.7 | 127 | -179.4 | 25.8 | -31.1 | 0 | 0 | 0 | 110.5 | R428 | P426-R428 PolarHBondContact O-N 2.83Š| ||
| 427 | T | 26 | Very low | 27.9 | Very low | 134 Ų | 134 | 158.5 Ų | 158.5 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -55.6 | 114.7 | 170.4 | 39.7 | 0 | 0 | 0 | 0 | 110.8 | F425 | F425-T427 PolarHBondContact O-N 3.19Š| ||
| 428 | R | 26.9 | Very low | 28.1 | Very low | 227 Ų | 227 | 160.8 Ų | 160.8 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -88.8 | 114.4 | 153.5 | -74.4 | -167.9 | -174.6 | -139.1 | 2.6 | 108 | P426 W430 | P426-R428 PolarHBondContact O-N 2.83Å; R428-W430 PolarHBondContact O-N 2.83Å | ||
| 429 | V | 29.2 | Very low | 28.4 | Very low | 115 Ų | 115 | 164.3 Ų | 164.3 | 70% | 0.697 | 82% | 0.82 | S | S | * | * | trans | -58.5 | 117.9 | 169.9 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 430 | W | 26.3 | Very low | 28.4 | Very low | 235 Ų | 235 | 166.1 Ų | 166.1 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | trans | -108.9 | 114.7 | 159.1 | -80.3 | 95.8 | 0 | 0 | 0 | 107.8 | R428 | R428-W430 PolarHBondContact O-N 2.83Š| ||
| 431 | H | 26.8 | Very low | 28.5 | Very low | 167 Ų | 167 | 165.4 Ų | 165.4 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | -58.6 | 139.1 | 174.6 | -93.6 | -104.7 | 0 | 0 | 0 | 111 | L433 | H431-L433 PolarHBondContact O-N 2.98Š| ||
| 432 | S | 27.6 | Very low | 28.5 | Very low | 116 Ų | 116 | 167.9 Ų | 167.9 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | trans | -47.3 | 124.4 | 169.9 | -50.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 433 | L | 28.9 | Very low | 28.6 | Very low | 153 Ų | 153 | 170.2 Ų | 170.2 | 80% | 0.801 | 83% | 0.828 | S | S | * | * | trans | -112.4 | 103.9 | 150.1 | -101.1 | 117.1 | 0 | 0 | 0 | 108.8 | H431 F435 | H431-L433 PolarHBondContact O-N 2.98Å; L433-F435 PolarHBondContact O-N 2.76Å | ||
| 434 | C | 29.4 | Very low | 28.7 | Very low | 116 Ų | 116 | 166.9 Ų | 166.9 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | trans | -68.5 | 111 | 169.3 | -158 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 435 | F | 26.9 | Very low | 28.6 | Very low | 196 Ų | 196 | 169.3 Ų | 169.3 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | trans | -97.3 | 99.1 | 161.4 | -107.1 | -84.2 | 0 | 0 | 0 | 108.8 | L433 | L433-F435 PolarHBondContact O-N 2.76Š| ||
| 436 | R | 29.3 | Very low | 28.9 | Very low | 205 Ų | 205 | 168.7 Ų | 168.7 | 77% | 0.774 | 83% | 0.833 | S | S | * | * | trans | -78.1 | 130.7 | 170.5 | -161.5 | 178.3 | -167.3 | -167.4 | 4.2 | 107.8 | ||||
| 437 | T | 34.6 | Very low | 29 | Very low | 131 Ų | 131 | 173 Ų | 173 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | trans | -65.9 | 141.9 | 168.7 | 34.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 438 | R | 29.9 | Very low | 29.2 | Very low | 219 Ų | 219 | 176.3 Ų | 176.3 | 83% | 0.826 | 84% | 0.842 | S | S | * | * | trans | 163.8 | 130.4 | 156 | -92.5 | 170.8 | -153.7 | -143.5 | 4 | 105.3 | ||||
| 439 | L | 34.8 | Very low | 29.4 | Very low | 235 Ų | 235 | 171.6 Ų | 171.6 | 100% | 1.23 | 84% | 0.841 | S | S | * | * | cis | -148.7 | 0 | 16.7 | -115.8 | 154.6 | 0 | 0 | 0 | 107.3 |
Retrieved 439 of 439 residues in 268 ms
(Link to these results)