| 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 | 52.2 | Low | 74.1 | Confident | 183 Ų | 183 | 108.9 Ų | 108.9 | 90% | 0.901 | 54% | 0.537 | S | S | * | . | 0 | 113.8 | 0 | -64.7 | -54.8 | -160.7 | 0 | 0 | 106.9 | |||||
| 2 | G | 66.2 | Low | 74.5 | Confident | 44 Ų | 44 | 110.3 Ų | 110.3 | 45% | 0.454 | 54% | 0.541 | S | S | . | . | trans | -71.3 | 149.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | K4 V5 | G2-K4 PolarHBondContact O-N 3.46Å; G2-V5 PolarHBondContact O-N 3.05Å | ||
| 3 | F | 73 | Confident | 74.3 | Confident | 161 Ų | 161 | 108.2 Ų | 108.2 | 71% | 0.706 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -49.2 | -30 | 175.8 | -164.1 | -94 | 0 | 0 | 0 | 112.7 | V5 I6 R7 | F3-V5 PolarHBondContact O-N 3.13Å; F3-I6 PolarHBondContact O-N 2.95Å; F3-R7 WeakPolarHBondContact O-CB 3.44Å; F3-R7 PolarHBondContact O-N 2.93Å |
| 4 | K | 73.7 | Confident | 73.9 | Confident | 164 Ų | 164 | 110.1 Ų | 110.1 | 71% | 0.713 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -53 | -47.8 | 172 | -65.6 | -171.4 | 176.4 | -173.9 | 0 | 113 | G2 R7 E8 | G2-K4 PolarHBondContact O-N 3.46Å; K4-R7 PolarHBondContact O-N 2.92Å; K4-E8 WeakPolarHBondContact O-CB 3.41Å; K4-E8 VanDerWaalsContact O-CG 3.29Å; K4-E8 WeakPolarHBondContact O-CG 3.41Å; K4-E8 PolarHBondContact O-N 2.89Å |
| 5 | V | 79.5 | Confident | 73.8 | Confident | 56 Ų | 56 | 112.1 Ų | 112.1 | 34% | 0.339 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.6 | -42.5 | -179.6 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | G2 F3 R7 E8 I9 | G2-V5 PolarHBondContact O-N 3.05Å; F3-V5 PolarHBondContact O-N 3.13Å; V5-R7 VanDerWaalsContact C-N 3.33Å; V5-R7 PolarHBondContact O-N 2.85Å; V5-E8 PolarHBondContact O-N 3.21Å; V5-I9 HydrophobicContact CG1-CD1 3.92Å; V5-I9 WeakPolarHBondContact O-CD1 3.34Å; V5-I9 VanDerWaalsContact O-CG1 3.23Å; V5-I9 WeakPolarHBondContact O-CG1 3.38Å; V5-I9 PolarHBondContact O-N 3.21Å |
| 6 | I | 74.5 | Confident | 73.5 | Confident | 90 Ų | 90 | 111.9 Ų | 111.9 | 46% | 0.462 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 178.1 | -62.6 | 174.6 | 0 | 0 | 0 | 110 | F3 I9 L10 | F3-I6 PolarHBondContact O-N 2.95Å; I6-I9 PolarHBondContact O-N 3.31Å; I6-L10 HydrophobicContact CG2-CD1 4.44Å; I6-L10 WeakPolarHBondContact O-CB 3.29Å; I6-L10 PolarHBondContact O-N 2.96Å |
| 7 | R | 79.3 | Confident | 73.2 | Confident | 146 Ų | 146 | 114.7 Ų | 114.7 | 55% | 0.551 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63 | -44.1 | 176.6 | -177.6 | -179.7 | 178.3 | -85.6 | -0.8 | 111.7 | F3 K4 V5 L10 L11 | F3-R7 WeakPolarHBondContact O-CB 3.44Å; F3-R7 PolarHBondContact O-N 2.93Å; K4-R7 PolarHBondContact O-N 2.92Å; V5-R7 VanDerWaalsContact C-N 3.33Å; V5-R7 PolarHBondContact O-N 2.85Å; R7-L10 PolarHBondContact O-N 3.38Å; R7-L11 HydrophobicContact CG-CD1 4.15Å; R7-L11 HydrophobicContact CG-CG 4.44Å; R7-L11 WeakPolarHBondContact O-CB 3.34Å; R7-L11 VanDerWaalsContact O-CG 3.3Å; R7-L11 WeakPolarHBondContact O-CG 3.41Å; R7-L11 PolarHBondContact O-N 2.93Å |
| 8 | E | 83.9 | Confident | 72.8 | Confident | 111 Ų | 111 | 111.8 Ų | 111.8 | 52% | 0.519 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.8 | -45.3 | 176 | -77.7 | 163.7 | -165.2 | 0 | 0 | 111.4 | K4 V5 L10 L11 Q12 | K4-E8 WeakPolarHBondContact O-CB 3.41Å; K4-E8 VanDerWaalsContact O-CG 3.29Å; K4-E8 WeakPolarHBondContact O-CG 3.41Å; K4-E8 PolarHBondContact O-N 2.89Å; V5-E8 PolarHBondContact O-N 3.21Å; E8-L10 PolarHBondContact O-N 2.98Å; E8-L11 PolarHBondContact O-N 3.24Å; E8-Q12 WeakPolarHBondContact O-CG 3.42Å; E8-Q12 PolarHBondContact O-N 3.28Å |
| 9 | I | 78.4 | Confident | 72.7 | Confident | 82 Ų | 82 | 110.1 Ų | 110.1 | 42% | 0.421 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.4 | -43.5 | 175.2 | -67 | 165.2 | 0 | 0 | 0 | 110.9 | V5 I6 L11 Q12 L13 | V5-I9 HydrophobicContact CG1-CD1 3.92Å; V5-I9 WeakPolarHBondContact O-CD1 3.34Å; V5-I9 VanDerWaalsContact O-CG1 3.23Å; V5-I9 WeakPolarHBondContact O-CG1 3.38Å; V5-I9 PolarHBondContact O-N 3.21Å; I6-I9 PolarHBondContact O-N 3.31Å; I9-L11 VanDerWaalsContact C-N 3.34Å; I9-L11 PolarHBondContact O-N 3.41Å; I9-Q12 PolarHBondContact O-N 2.73Å; I9-L13 HydrophobicContact CG2-CD1 3.96Å; I9-L13 HydrophobicContact CG2-CG 4.41Å; I9-L13 WeakPolarHBondContact O-CB 3.41Å; I9-L13 VanDerWaalsContact O-CG 3.32Å; I9-L13 WeakPolarHBondContact O-CG 3.22Å; I9-L13 PolarHBondContact O-N 3.19Å |
| 10 | L | 76.4 | Confident | 72.5 | Confident | 96 Ų | 96 | 115 Ų | 115 | 50% | 0.503 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.1 | -41.3 | 178.5 | -110.8 | 163.2 | 0 | 0 | 0 | 111.9 | I6 R7 E8 L13 L14 | I6-L10 HydrophobicContact CG2-CD1 4.44Å; I6-L10 WeakPolarHBondContact O-CB 3.29Å; I6-L10 PolarHBondContact O-N 2.96Å; R7-L10 PolarHBondContact O-N 3.38Å; E8-L10 PolarHBondContact O-N 2.98Å; L10-L13 PolarHBondContact O-N 3.43Å; L10-L14 WeakPolarHBondContact O-CB 3.22Å; L10-L14 VanDerWaalsContact O-CG 3.25Å; L10-L14 WeakPolarHBondContact O-CG 3.42Å; L10-L14 PolarHBondContact O-N 2.94Å |
| 11 | L | 78.1 | Confident | 72.6 | Confident | 65 Ų | 65 | 117.7 Ų | 117.7 | 34% | 0.34 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.8 | -44 | 176.2 | -71.6 | 173.5 | 0 | 0 | 0 | 111.1 | R7 E8 I9 L13 L14 E15 | R7-L11 HydrophobicContact CG-CD1 4.15Å; R7-L11 HydrophobicContact CG-CG 4.44Å; R7-L11 WeakPolarHBondContact O-CB 3.34Å; R7-L11 VanDerWaalsContact O-CG 3.3Å; R7-L11 WeakPolarHBondContact O-CG 3.41Å; R7-L11 PolarHBondContact O-N 2.93Å; E8-L11 PolarHBondContact O-N 3.24Å; I9-L11 VanDerWaalsContact C-N 3.34Å; I9-L11 PolarHBondContact O-N 3.41Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.23Å; L11-L14 PolarHBondContact O-N 2.93Å; L11-L14 VanDerWaalsContact O-N 3.13Å; L11-E15 WeakPolarHBondContact O-CB 3.43Å; L11-E15 WeakPolarHBondContact O-CG 3.47Å; L11-E15 PolarHBondContact O-N 3.36Å |
| 12 | Q | 79.3 | Confident | 73.5 | Confident | 126 Ų | 126 | 111.3 Ų | 111.3 | 59% | 0.589 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -57.6 | -44.7 | 173.6 | -80.5 | -178.5 | -30.5 | 0 | 0 | 112.2 | E8 I9 L14 E15 E16 | E8-Q12 WeakPolarHBondContact O-CG 3.42Å; E8-Q12 PolarHBondContact O-N 3.28Å; I9-Q12 PolarHBondContact O-N 2.73Å; Q12-L14 VanDerWaalsContact C-N 3.28Å; Q12-L14 PolarHBondContact O-N 3.22Å; Q12-E15 PolarHBondContact O-N 3.44Å; Q12-E16 PolarHBondContact O-N 3.25Å |
| 13 | L | 71.9 | Confident | 73.5 | Confident | 83 Ų | 83 | 114.6 Ų | 114.6 | 44% | 0.435 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.5 | -27.7 | 177.8 | -72.8 | 172.2 | 0 | 0 | 0 | 113.2 | I9 L10 L11 L28 | I9-L13 HydrophobicContact CG2-CD1 3.96Å; I9-L13 HydrophobicContact CG2-CG 4.41Å; I9-L13 WeakPolarHBondContact O-CB 3.41Å; I9-L13 VanDerWaalsContact O-CG 3.32Å; I9-L13 WeakPolarHBondContact O-CG 3.22Å; I9-L13 PolarHBondContact O-N 3.19Å; L10-L13 PolarHBondContact O-N 3.43Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.23Å; L13-L28 HydrophobicContact CD2-CD1 4.21Å; L13-L28 HydrophobicContact CD2-CD2 4.4Å |
| 14 | L | 69 | Low | 73.3 | Confident | 135 Ų | 135 | 110.1 Ų | 110.1 | 71% | 0.707 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -78.9 | -29.3 | 174.2 | -74.7 | 168.4 | 0 | 0 | 0 | 112.2 | L10 L11 Q12 | L10-L14 WeakPolarHBondContact O-CB 3.22Å; L10-L14 VanDerWaalsContact O-CG 3.25Å; L10-L14 WeakPolarHBondContact O-CG 3.42Å; L10-L14 PolarHBondContact O-N 2.94Å; L11-L14 PolarHBondContact O-N 2.93Å; L11-L14 VanDerWaalsContact O-N 3.13Å; Q12-L14 VanDerWaalsContact C-N 3.28Å; Q12-L14 PolarHBondContact O-N 3.22Å |
| 15 | E | 72.2 | Confident | 72.8 | Confident | 139 Ų | 139 | 108.1 Ų | 108.1 | 65% | 0.65 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -78.8 | -29.4 | 176.1 | -75.4 | 174.4 | -172.3 | 0 | 0 | 112.8 | L11 Q12 N17 | L11-E15 WeakPolarHBondContact O-CB 3.43Å; L11-E15 WeakPolarHBondContact O-CG 3.47Å; L11-E15 PolarHBondContact O-N 3.36Å; Q12-E15 PolarHBondContact O-N 3.44Å; E15-N17 PolarHBondContact O-N 3.5Å; E15-N17 PolarHBondContact O-ND2 3.11Å; E15-N17 VanDerWaalsContact O-ND2 3.15Å |
| 16 | E | 69 | Low | 72.2 | Confident | 109 Ų | 109 | 111.4 Ų | 111.4 | 51% | 0.509 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -62.2 | 105.8 | 173.7 | -84.8 | -174.9 | 161.7 | 0 | 0 | 110.1 | Q12 I18 L28 | Q12-E16 PolarHBondContact O-N 3.25Å; E16-I18 PolarHBondContact O-N 3.38Å; E16-L28 WeakPolarHBondContact OE2-CD2 3.43Å |
| 17 | N | 68.2 | Low | 72 | Confident | 160 Ų | 160 | 109.7 Ų | 109.7 | 86% | 0.856 | 56% | 0.557 | S | S | * | * | trans | -71.5 | 93.9 | 178.3 | -82.1 | -90.7 | 0 | 0 | 0 | 109.4 | E15 P19 | E15-N17 PolarHBondContact O-N 3.5Å; E15-N17 PolarHBondContact O-ND2 3.11Å; E15-N17 VanDerWaalsContact O-ND2 3.15Å; N17-P19 WeakPolarHBondContact O-CD 3.38Å | ||
| 18 | I | 66.2 | Low | 71.5 | Confident | 63 Ų | 63 | 106.6 Ų | 106.6 | 32% | 0.323 | 55% | 0.551 | S | S | . | * | trans | -70.5 | 124.6 | 171.1 | -55.9 | 176.1 | 0 | 0 | 0 | 107.7 | E16 K20 P24 C27 | E16-I18 PolarHBondContact O-N 3.38Å; I18-K20 PolarHBondContact O-N 3.35Å; I18-P24 HydrophobicContact CD1-CB 3.85Å; I18-P24 HydrophobicContact CG2-CB 4.43Å; I18-C27 HydrophobicContact CG2-CB 4.14Å | ||
| 19 | P | 70.3 | Confident | 71.2 | Confident | 79 Ų | 79 | 104 Ų | 104 | 51% | 0.513 | 55% | 0.548 | S | S | . | . | trans | -53.9 | 131.1 | 173.8 | -23.3 | 32.3 | 0 | 0 | 0 | 110.5 | N17 D21 S22 | N17-P19 WeakPolarHBondContact O-CD 3.38Å; P19-D21 PolarHBondContact O-N 2.99Å; P19-D21 VanDerWaalsContact O-N 3.09Å; P19-S22 PolarHBondContact O-N 3.09Å | ||
| 20 | K | 68.6 | Low | 71.3 | Confident | 207 Ų | 207 | 106.3 Ų | 106.3 | 90% | 0.9 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -29.2 | -174.7 | -69 | 180 | -179.2 | 175.8 | 0 | 113.6 | I18 | I18-K20 PolarHBondContact O-N 3.35Š|
| 21 | D | 74.8 | Confident | 71.4 | Confident | 172 Ų | 172 | 105.8 Ų | 105.8 | 92% | 0.92 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -0.6 | -176.3 | -58.5 | -29 | 0 | 0 | 0 | 113.3 | P19 | P19-D21 PolarHBondContact O-N 2.99Å; P19-D21 VanDerWaalsContact O-N 3.09Å |
| 22 | S | 70.5 | Confident | 71.4 | Confident | 50 Ų | 50 | 108.9 Ų | 108.9 | 35% | 0.35 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -112.3 | 145.9 | -177 | -172.7 | 0 | 0 | 0 | 0 | 112.3 | P19 C27 | P19-S22 PolarHBondContact O-N 3.09Å; S22-C27 WeakPolarHBondContact CB-SG 3.31Å; S22-C27 PolarHBondContact OG-SG 2.87Å |
| 23 | H | 67.3 | Low | 71.2 | Confident | 112 Ų | 112 | 109.9 Ų | 109.9 | 52% | 0.519 | 58% | 0.578 | S | S | . | * | trans | -69.1 | 125.8 | -178.4 | -155.4 | -75.4 | 0 | 0 | 0 | 109.9 | I25 L26 C27 | H23-I25 PolarHBondContact O-N 2.98Å; H23-I25 VanDerWaalsContact O-N 3.12Å; H23-L26 HydrophobicContact CB-CB 4.17Å; H23-L26 HydrophobicContact CB-CD1 3.85Å; H23-L26 HydrophobicContact CB-CG 3.94Å; H23-L26 PolarHBondContact O-N 3.32Å; H23-C27 PolarHBondContact O-N 3.2Å; H23-C27 VanDerWaalsContact O-N 3.1Å | ||
| 24 | P | 67.3 | Low | 71.7 | Confident | 68 Ų | 68 | 110.7 Ų | 110.7 | 44% | 0.442 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.7 | -33 | -169.9 | 20.8 | -33 | 0 | 0 | 0 | 113.4 | I18 L28 | I18-P24 HydrophobicContact CD1-CB 3.85Å; I18-P24 HydrophobicContact CG2-CB 4.43Å; P24-L28 WeakPolarHBondContact O-CG 3.41Å |
| 25 | I | 63.4 | Low | 71.8 | Confident | 122 Ų | 122 | 111.8 Ų | 111.8 | 63% | 0.626 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -71.3 | -36.7 | 177.3 | -57.7 | 175.3 | 0 | 0 | 0 | 111.5 | H23 A29 | H23-I25 PolarHBondContact O-N 2.98Å; H23-I25 VanDerWaalsContact O-N 3.12Å; I25-A29 WeakPolarHBondContact O-CB 3.3Å; I25-A29 PolarHBondContact O-N 3.46Å; I25-A29 VanDerWaalsContact O-N 3.17Å |
| 26 | L | 67.5 | Low | 72 | Confident | 124 Ų | 124 | 107.7 Ų | 107.7 | 65% | 0.649 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -76.3 | -34 | -177.5 | -62.4 | -179.7 | 0 | 0 | 0 | 111.6 | H23 L28 A29 | H23-L26 HydrophobicContact CB-CB 4.17Å; H23-L26 HydrophobicContact CB-CD1 3.85Å; H23-L26 HydrophobicContact CB-CG 3.94Å; H23-L26 PolarHBondContact O-N 3.32Å; L26-L28 VanDerWaalsContact C-N 3.3Å; L26-L28 PolarHBondContact O-N 3.1Å; L26-A29 WeakPolarHBondContact O-CB 3.49Å; L26-A29 PolarHBondContact O-N 3.48Å |
| 27 | C | 70.3 | Confident | 72.3 | Confident | 55 Ų | 55 | 109.6 Ų | 109.6 | 37% | 0.372 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.1 | -37.3 | 173.5 | -75.1 | 0 | 0 | 0 | 0 | 113.3 | I18 S22 H23 A29 | I18-C27 HydrophobicContact CG2-CB 4.14Å; S22-C27 WeakPolarHBondContact CB-SG 3.31Å; S22-C27 PolarHBondContact OG-SG 2.87Å; H23-C27 PolarHBondContact O-N 3.2Å; H23-C27 VanDerWaalsContact O-N 3.1Å; C27-A29 VanDerWaalsContact C-N 3.35Å |
| 28 | L | 69.7 | Low | 72.5 | Confident | 81 Ų | 81 | 104.4 Ų | 104.4 | 42% | 0.424 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -9.2 | -179.9 | -64.1 | 173 | 0 | 0 | 0 | 112.6 | L13 E16 P24 L26 K30 | L13-L28 HydrophobicContact CD2-CD1 4.21Å; L13-L28 HydrophobicContact CD2-CD2 4.4Å; E16-L28 WeakPolarHBondContact OE2-CD2 3.43Å; P24-L28 WeakPolarHBondContact O-CG 3.41Å; L26-L28 VanDerWaalsContact C-N 3.3Å; L26-L28 PolarHBondContact O-N 3.1Å; L28-K30 PolarHBondContact O-N 2.97Å |
| 29 | A | 76.6 | Confident | 72.7 | Confident | 57 Ų | 57 | 107.4 Ų | 107.4 | 47% | 0.471 | 56% | 0.561 | S | S | . | * | trans | -74.4 | 110.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | I25 L26 C27 | I25-A29 WeakPolarHBondContact O-CB 3.3Å; I25-A29 PolarHBondContact O-N 3.46Å; I25-A29 VanDerWaalsContact O-N 3.17Å; L26-A29 WeakPolarHBondContact O-CB 3.49Å; L26-A29 PolarHBondContact O-N 3.48Å; C27-A29 VanDerWaalsContact C-N 3.35Å | ||
| 30 | K | 79.7 | Confident | 72.5 | Confident | 129 Ų | 129 | 111.4 Ų | 111.4 | 56% | 0.561 | 57% | 0.57 | S | S | * | * | trans | -68.4 | 138 | 172.7 | -65.6 | -175.9 | 180 | -175.6 | 0 | 111.5 | L28 E34 R35 | L28-K30 PolarHBondContact O-N 2.97Å; K30-E34 WeakPolarHBondContact CA-OE2 3.29Å; K30-E34 HydrophobicContact CB-CB 4.19Å; K30-E34 WeakPolarHBondContact CB-OE2 3.46Å; K30-R35 HydrophobicContact CB-CG 4.09Å | ||
| 31 | T | 78.8 | Confident | 72 | Confident | 86 Ų | 86 | 108.9 Ų | 108.9 | 53% | 0.528 | 56% | 0.561 | S | S | . | * | trans | -67 | 152.5 | 172.9 | -58.5 | 0 | 0 | 0 | 0 | 110.2 | Q33 E34 R35 | T31-Q33 HydrophobicContact CG2-CB 4.42Å; T31-Q33 PolarHBondContact O-N 3.18Å; T31-Q33 VanDerWaalsContact O-N 3.14Å; T31-E34 PolarHBondContact N-OE2 2.87Å; T31-E34 WeakPolarHBondContact O-CB 3.5Å; T31-E34 PolarHBondContact O-N 3.28Å; T31-R35 PolarHBondContact O-N 3.3Å | ||
| 32 | D | 78.3 | Confident | 71.1 | Confident | 129 Ų | 129 | 109.8 Ų | 109.8 | 69% | 0.69 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -54.8 | -34.3 | 178.7 | -74.1 | -25.3 | 0 | 0 | 0 | 112.9 | R35 A36 | D32-R35 PolarHBondContact O-N 3.22Å; D32-A36 WeakPolarHBondContact O-CB 3.33Å; D32-A36 PolarHBondContact O-N 2.86Å |
| 33 | Q | 76.6 | Confident | 70.3 | Confident | 148 Ų | 148 | 112.5 Ų | 112.5 | 69% | 0.692 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.1 | -38.7 | 174 | -65.6 | -171.9 | -4.3 | 0 | 0 | 112.9 | T31 A36 K37 | T31-Q33 HydrophobicContact CG2-CB 4.42Å; T31-Q33 PolarHBondContact O-N 3.18Å; T31-Q33 VanDerWaalsContact O-N 3.14Å; Q33-A36 PolarHBondContact O-N 3.08Å; Q33-K37 WeakPolarHBondContact O-CG 3.38Å; Q33-K37 PolarHBondContact O-N 3.47Å; Q33-K37 VanDerWaalsContact O-N 3.08Å |
| 34 | E | 80.5 | Confident | 69.5 | Low | 99 Ų | 99 | 110.5 Ų | 110.5 | 46% | 0.463 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -71.3 | -38.7 | 177.3 | -64.3 | 177.7 | 150.6 | 0 | 0 | 111.3 | K30 T31 A36 K37 A38 | K30-E34 WeakPolarHBondContact CA-OE2 3.29Å; K30-E34 HydrophobicContact CB-CB 4.19Å; K30-E34 WeakPolarHBondContact CB-OE2 3.46Å; T31-E34 PolarHBondContact N-OE2 2.87Å; T31-E34 WeakPolarHBondContact O-CB 3.5Å; T31-E34 PolarHBondContact O-N 3.28Å; E34-A36 VanDerWaalsContact C-N 3.32Å; E34-A36 PolarHBondContact O-N 3.22Å; E34-K37 PolarHBondContact O-N 3.38Å; E34-A38 PolarHBondContact O-N 3.49Å |
| 35 | R | 72.9 | Confident | 68.5 | Low | 158 Ų | 158 | 112.2 Ų | 112.2 | 60% | 0.596 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.8 | -42.7 | 173 | -70.6 | -177.5 | 175.1 | -156.5 | -2.4 | 111.2 | K30 T31 D32 A38 K39 | K30-R35 HydrophobicContact CB-CG 4.09Å; T31-R35 PolarHBondContact O-N 3.3Å; D32-R35 PolarHBondContact O-N 3.22Å; R35-A38 PolarHBondContact O-N 2.97Å; R35-K39 WeakPolarHBondContact O-CB 3.3Å; R35-K39 PolarHBondContact O-N 3.3Å |
| 36 | A | 76.5 | Confident | 67.7 | Low | 54 Ų | 54 | 113 Ų | 113 | 45% | 0.446 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.4 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D32 Q33 E34 K39 K40 | D32-A36 WeakPolarHBondContact O-CB 3.33Å; D32-A36 PolarHBondContact O-N 2.86Å; Q33-A36 PolarHBondContact O-N 3.08Å; E34-A36 VanDerWaalsContact C-N 3.32Å; E34-A36 PolarHBondContact O-N 3.22Å; A36-K39 WeakPolarHBondContact O-CB 3.49Å; A36-K39 PolarHBondContact O-N 3.45Å; A36-K40 PolarHBondContact O-N 3.08Å |
| 37 | K | 74.3 | Confident | 66.8 | Low | 148 Ų | 148 | 113.1 Ų | 113.1 | 64% | 0.643 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.8 | -45.1 | 174.8 | -72.6 | 176.5 | -177.2 | 178.8 | 0 | 112.1 | Q33 E34 K39 K40 H41 | Q33-K37 WeakPolarHBondContact O-CG 3.38Å; Q33-K37 PolarHBondContact O-N 3.47Å; Q33-K37 VanDerWaalsContact O-N 3.08Å; E34-K37 PolarHBondContact O-N 3.38Å; K37-K39 VanDerWaalsContact C-N 3.25Å; K37-K39 PolarHBondContact O-N 2.77Å; K37-K40 PolarHBondContact O-N 3.38Å; K37-H41 PolarHBondContact O-N 2.87Å |
| 38 | A | 71.9 | Confident | 66 | Low | 51 Ų | 51 | 119.3 Ų | 119.3 | 42% | 0.421 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.4 | -33.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E34 R35 R42 | E34-A38 PolarHBondContact O-N 3.49Å; R35-A38 PolarHBondContact O-N 2.97Å; A38-R42 PolarHBondContact O-N 2.76Å |
| 39 | K | 70.9 | Confident | 65.1 | Low | 127 Ų | 127 | 120.3 Ų | 120.3 | 55% | 0.552 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.2 | -46.6 | 174.2 | -161.9 | -174.1 | -175.3 | -119.7 | 0 | 111.7 | R35 A36 K37 H41 R42 E43 | R35-K39 WeakPolarHBondContact O-CB 3.3Å; R35-K39 PolarHBondContact O-N 3.3Å; A36-K39 WeakPolarHBondContact O-CB 3.49Å; A36-K39 PolarHBondContact O-N 3.45Å; K37-K39 VanDerWaalsContact C-N 3.25Å; K37-K39 PolarHBondContact O-N 2.77Å; K39-H41 PolarHBondContact O-N 2.93Å; K39-R42 PolarHBondContact O-N 2.86Å; K39-E43 WeakPolarHBondContact CE-OE1 3.47Å; K39-E43 IonicContact NZ-OE1 3.83Å; K39-E43 PolarHBondContact NZ-OE1 3.17Å; K39-E43 PolarHBondContact O-N 3.39Å |
| 40 | K | 65.3 | Low | 63.8 | Low | 162 Ų | 162 | 120.6 Ų | 120.6 | 70% | 0.704 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -57.7 | -37.6 | 174.9 | -74.9 | -170.3 | 175 | -170.1 | 0 | 112.6 | A36 K37 R42 E43 G44 | A36-K40 PolarHBondContact O-N 3.08Å; K37-K40 PolarHBondContact O-N 3.38Å; K40-R42 PolarHBondContact O-N 2.82Å; K40-E43 PolarHBondContact O-N 3.46Å; K40-G44 PolarHBondContact O-N 3.4Å |
| 41 | H | 59.3 | Low | 62.4 | Low | 155 Ų | 155 | 116.8 Ų | 116.8 | 72% | 0.718 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.9 | -22.4 | 177.2 | -159.9 | -60.4 | 0 | 0 | 0 | 113.1 | K37 K39 | K37-H41 PolarHBondContact O-N 2.87Å; K39-H41 PolarHBondContact O-N 2.93Å |
| 42 | R | 54.6 | Low | 61.1 | Low | 190 Ų | 190 | 117.7 Ų | 117.7 | 72% | 0.717 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -84.6 | -39.3 | 173.2 | -76.8 | -167.2 | 172.9 | -157.9 | -2.4 | 112.9 | A38 K39 K40 G44 I45 | A38-R42 PolarHBondContact O-N 2.76Å; K39-R42 PolarHBondContact O-N 2.86Å; K40-R42 PolarHBondContact O-N 2.82Å; R42-G44 PolarHBondContact O-N 3.42Å; R42-I45 PolarHBondContact O-N 2.89Å |
| 43 | E | 54 | Low | 59.9 | Low | 107 Ų | 107 | 116 Ų | 116 | 50% | 0.5 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -70.2 | -11.5 | -179.2 | -69.4 | 173 | 176.4 | 0 | 0 | 113.2 | K39 K40 I45 | K39-E43 WeakPolarHBondContact CE-OE1 3.47Å; K39-E43 IonicContact NZ-OE1 3.83Å; K39-E43 PolarHBondContact NZ-OE1 3.17Å; K39-E43 PolarHBondContact O-N 3.39Å; K40-E43 PolarHBondContact O-N 3.46Å; E43-I45 PolarHBondContact O-N 3.46Å |
| 44 | G | 51.4 | Low | 58.9 | Low | 70 Ų | 70 | 113.3 Ų | 113.3 | 72% | 0.722 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 5.9 | 171 | 0 | 0 | 0 | 0 | 0 | 114.8 | K40 R42 | K40-G44 PolarHBondContact O-N 3.4Å; R42-G44 PolarHBondContact O-N 3.42Å |
| 45 | I | 46.2 | Very low | 58 | Low | 104 Ų | 104 | 111.4 Ų | 111.4 | 53% | 0.533 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -108.8 | 116.4 | 179 | -61.7 | 168.8 | 0 | 0 | 0 | 106.7 | R42 E43 D47 | R42-I45 PolarHBondContact O-N 2.89Å; E43-I45 PolarHBondContact O-N 3.46Å; I45-D47 PolarHBondContact O-N 3.27Å |
| 46 | D | 45.4 | Very low | 57.8 | Low | 139 Ų | 139 | 107 Ų | 107 | 74% | 0.743 | 57% | 0.565 | S | S | * | * | trans | -31.5 | 120.7 | -173.5 | -102.6 | -31 | 0 | 0 | 0 | 114.8 | E48 D49 | D46-E48 PolarHBondContact O-N 3.47Å; D46-E48 VanDerWaalsContact O-N 3.15Å; D46-D49 PolarHBondContact O-N 2.83Å | ||
| 47 | D | 49.4 | Very low | 57.5 | Low | 127 Ų | 127 | 107.1 Ų | 107.1 | 68% | 0.679 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.7 | -14.2 | -175.9 | -75.6 | -51.1 | 0 | 0 | 0 | 114 | I45 | I45-D47 PolarHBondContact O-N 3.27Å |
| 48 | E | 53.4 | Low | 57.2 | Low | 185 Ų | 185 | 109 Ų | 109 | 86% | 0.864 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.9 | -34 | 179.6 | -69.3 | -162.2 | 168.9 | 0 | 0 | 112.4 | D46 | D46-E48 PolarHBondContact O-N 3.47Å; D46-E48 VanDerWaalsContact O-N 3.15Å |
| 49 | D | 51.2 | Low | 57.2 | Low | 101 Ų | 101 | 113.3 Ų | 113.3 | 54% | 0.54 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -83.3 | -24.3 | -178.6 | -129.9 | -5 | 0 | 0 | 0 | 112 | D46 G51 L52 L53 | D46-D49 PolarHBondContact O-N 2.83Å; D49-G51 PolarHBondContact O-N 3.17Å; D49-L52 PolarHBondContact O-N 2.84Å; D49-L53 WeakPolarHBondContact O-CB 3.33Å; D49-L53 WeakPolarHBondContact O-CG 3.43Å; D49-L53 PolarHBondContact O-N 3.25Å |
| 50 | E | 48.8 | Very low | 57.3 | Low | 64 Ų | 64 | 114.5 Ų | 114.5 | 30% | 0.299 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.7 | -37.4 | -180 | -82.2 | -71.2 | 176.7 | 0 | 0 | 112.6 | L52 L53 I54 | E50-L52 VanDerWaalsContact C-N 3.33Å; E50-L52 PolarHBondContact O-N 2.92Å; E50-L53 PolarHBondContact O-N 3.35Å; E50-I54 WeakPolarHBondContact O-CB 3.27Å; E50-I54 WeakPolarHBondContact O-CD1 3.4Å; E50-I54 WeakPolarHBondContact O-CG1 3.38Å; E50-I54 PolarHBondContact O-N 3.08Å |
| 51 | G | 49.8 | Very low | 57.3 | Low | 49 Ų | 49 | 115.3 Ų | 115.3 | 51% | 0.505 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -58.7 | -44.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D49 S55 | D49-G51 PolarHBondContact O-N 3.17Å; G51-S55 PolarHBondContact O-N 3.49Å |
| 52 | L | 51.6 | Low | 57.8 | Low | 105 Ų | 105 | 116.2 Ų | 116.2 | 55% | 0.55 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.6 | -40.9 | 177.7 | -161 | 76.7 | 0 | 0 | 0 | 111 | D49 E50 S55 N56 | D49-L52 PolarHBondContact O-N 2.84Å; E50-L52 VanDerWaalsContact C-N 3.33Å; E50-L52 PolarHBondContact O-N 2.92Å; L52-S55 PolarHBondContact O-N 3.03Å; L52-S55 PolarHBondContact O-OG 3.26Å; L52-N56 WeakPolarHBondContact O-CB 3.28Å; L52-N56 PolarHBondContact O-N 2.87Å; L52-N56 PolarHBondContact O-ND2 3.48Å |
| 53 | L | 53.6 | Low | 58.5 | Low | 93 Ų | 93 | 111.4 Ų | 111.4 | 49% | 0.487 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64 | -41.8 | 177.4 | -70.7 | 176.2 | 0 | 0 | 0 | 112.5 | D49 E50 S55 N56 A57 | D49-L53 WeakPolarHBondContact O-CB 3.33Å; D49-L53 WeakPolarHBondContact O-CG 3.43Å; D49-L53 PolarHBondContact O-N 3.25Å; E50-L53 PolarHBondContact O-N 3.35Å; L53-S55 VanDerWaalsContact C-N 3.35Å; L53-S55 PolarHBondContact O-N 3.18Å; L53-N56 PolarHBondContact O-N 3.49Å; L53-A57 WeakPolarHBondContact O-CB 3.4Å; L53-A57 PolarHBondContact O-N 2.9Å |
| 54 | I | 55.1 | Low | 59.1 | Low | 92 Ų | 92 | 111.5 Ų | 111.5 | 47% | 0.472 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.6 | -42.7 | 175.8 | -66.5 | 161.3 | 0 | 0 | 0 | 110.2 | E50 A57 R58 | E50-I54 WeakPolarHBondContact O-CB 3.27Å; E50-I54 WeakPolarHBondContact O-CD1 3.4Å; E50-I54 WeakPolarHBondContact O-CG1 3.38Å; E50-I54 PolarHBondContact O-N 3.08Å; I54-A57 PolarHBondContact O-N 3.5Å; I54-R58 WeakPolarHBondContact O-CB 3.36Å; I54-R58 PolarHBondContact O-N 3.41Å |
| 55 | S | 62.6 | Low | 59.8 | Low | 59 Ų | 59 | 111.3 Ų | 111.3 | 41% | 0.413 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 177.5 | 85.5 | 0 | 0 | 0 | 0 | 111.3 | G51 L52 L53 R58 K59 | G51-S55 PolarHBondContact O-N 3.49Å; L52-S55 PolarHBondContact O-N 3.03Å; L52-S55 PolarHBondContact O-OG 3.26Å; L53-S55 VanDerWaalsContact C-N 3.35Å; L53-S55 PolarHBondContact O-N 3.18Å; S55-R58 PolarHBondContact O-N 3.38Å; S55-K59 WeakPolarHBondContact O-CB 3.28Å; S55-K59 PolarHBondContact O-N 2.88Å |
| 56 | N | 68.5 | Low | 60.8 | Low | 65 Ų | 65 | 113 Ų | 113 | 35% | 0.348 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.8 | -39.1 | 177.9 | -81.2 | -37.2 | 0 | 0 | 0 | 111.7 | L52 L53 K59 K60 | L52-N56 WeakPolarHBondContact O-CB 3.28Å; L52-N56 PolarHBondContact O-N 2.87Å; L52-N56 PolarHBondContact O-ND2 3.48Å; L53-N56 PolarHBondContact O-N 3.49Å; N56-K59 PolarHBondContact O-N 3.39Å; N56-K60 VanDerWaalsContact O-CB 3.25Å; N56-K60 WeakPolarHBondContact O-CB 3.41Å; N56-K60 WeakPolarHBondContact O-CG 3.27Å; N56-K60 PolarHBondContact O-N 3.33Å |
| 57 | A | 70.9 | Confident | 61.7 | Low | 57 Ų | 57 | 112.4 Ų | 112.4 | 47% | 0.471 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | L53 I54 R61 | L53-A57 WeakPolarHBondContact O-CB 3.4Å; L53-A57 PolarHBondContact O-N 2.9Å; I54-A57 PolarHBondContact O-N 3.5Å; A57-R61 VanDerWaalsContact O-CB 3.23Å; A57-R61 WeakPolarHBondContact O-CB 3.31Å; A57-R61 PolarHBondContact O-N 2.68Å |
| 58 | R | 68.3 | Low | 62.2 | Low | 188 Ų | 188 | 107.2 Ų | 107.2 | 71% | 0.709 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62 | -44.7 | 172.1 | -93.1 | -177 | 172.2 | 178.6 | -0.2 | 111.8 | I54 S55 R61 R62 | I54-R58 WeakPolarHBondContact O-CB 3.36Å; I54-R58 PolarHBondContact O-N 3.41Å; S55-R58 PolarHBondContact O-N 3.38Å; R58-R61 PolarHBondContact O-N 3.48Å; R58-R62 PolarHBondContact O-N 2.92Å |
| 59 | K | 71.2 | Confident | 62.6 | Low | 140 Ų | 140 | 107.2 Ų | 107.2 | 61% | 0.609 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.1 | -47.8 | 178.2 | -167.7 | 174.7 | -178.1 | 179.4 | 0 | 111 | S55 N56 R61 R62 I63 | S55-K59 WeakPolarHBondContact O-CB 3.28Å; S55-K59 PolarHBondContact O-N 2.88Å; N56-K59 PolarHBondContact O-N 3.39Å; K59-R61 VanDerWaalsContact C-N 3.33Å; K59-R61 PolarHBondContact O-N 2.7Å; K59-R62 PolarHBondContact O-N 2.67Å; K59-I63 HydrophobicContact CG-CD1 4.25Å; K59-I63 WeakPolarHBondContact O-CG1 3.49Å; K59-I63 PolarHBondContact O-N 3.29Å |
| 60 | K | 71.9 | Confident | 63.2 | Low | 153 Ų | 153 | 108.5 Ų | 108.5 | 67% | 0.665 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -57.5 | -44.3 | 173.2 | -75.7 | 174.3 | -178.8 | 177 | 0 | 111.2 | N56 I63 W64 | N56-K60 VanDerWaalsContact O-CB 3.25Å; N56-K60 WeakPolarHBondContact O-CB 3.41Å; N56-K60 WeakPolarHBondContact O-CG 3.27Å; N56-K60 PolarHBondContact O-N 3.33Å; K60-I63 PolarHBondContact O-N 3.4Å; K60-W64 WeakPolarHBondContact O-CB 3.33Å; K60-W64 PolarHBondContact O-N 2.93Å |
| 61 | R | 66.8 | Low | 63.9 | Low | 179 Ų | 179 | 107.3 Ų | 107.3 | 68% | 0.675 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.5 | -39.6 | 177 | -172.8 | 172.7 | -179.2 | 175.7 | -0.2 | 112.6 | A57 R58 K59 W64 L65 | A57-R61 VanDerWaalsContact O-CB 3.23Å; A57-R61 WeakPolarHBondContact O-CB 3.31Å; A57-R61 PolarHBondContact O-N 2.68Å; R58-R61 PolarHBondContact O-N 3.48Å; K59-R61 VanDerWaalsContact C-N 3.33Å; K59-R61 PolarHBondContact O-N 2.7Å; R61-W64 WeakPolarHBondContact O-CB 3.29Å; R61-W64 PolarHBondContact O-N 2.71Å; R61-L65 HydrophobicContact CG-CD1 4.41Å; R61-L65 WeakPolarHBondContact O-CG 3.4Å; R61-L65 PolarHBondContact O-N 3.35Å |
| 62 | R | 68.6 | Low | 64.4 | Low | 173 Ų | 173 | 108.9 Ų | 108.9 | 65% | 0.653 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.2 | -43.5 | 174.9 | -81.2 | 178.7 | 68.9 | 162.8 | 0.7 | 112.2 | R58 K59 W64 L65 K66 | R58-R62 PolarHBondContact O-N 2.92Å; K59-R62 PolarHBondContact O-N 2.67Å; R62-W64 VanDerWaalsContact C-N 3.31Å; R62-L65 PolarHBondContact O-N 2.92Å; R62-K66 WeakPolarHBondContact O-CG 3.32Å; R62-K66 PolarHBondContact O-N 3.47Å |
| 63 | I | 69 | Low | 64.7 | Low | 89 Ų | 89 | 107.7 Ų | 107.7 | 46% | 0.456 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 175.5 | -65.7 | 164.7 | 0 | 0 | 0 | 109.9 | K59 K60 K66 Q67 | K59-I63 HydrophobicContact CG-CD1 4.25Å; K59-I63 WeakPolarHBondContact O-CG1 3.49Å; K59-I63 PolarHBondContact O-N 3.29Å; K60-I63 PolarHBondContact O-N 3.4Å; I63-K66 PolarHBondContact O-N 3.26Å; I63-Q67 PolarHBondContact O-N 3Å |
| 64 | W | 67 | Low | 64.8 | Low | 109 Ų | 109 | 106.4 Ų | 106.4 | 41% | 0.413 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 177.4 | -176.2 | 89.8 | 0 | 0 | 0 | 112.5 | K60 R61 R62 Q67 A68 F75 | K60-W64 WeakPolarHBondContact O-CB 3.33Å; K60-W64 PolarHBondContact O-N 2.93Å; R61-W64 WeakPolarHBondContact O-CB 3.29Å; R61-W64 PolarHBondContact O-N 2.71Å; R62-W64 VanDerWaalsContact C-N 3.31Å; W64-Q67 PolarHBondContact O-N 2.89Å; W64-A68 WeakPolarHBondContact O-CB 3.42Å; W64-A68 PolarHBondContact O-N 3.44Å; W64-F75 AromaticContact CE2-CE2 3.58Å; W64-F75 AromaticContact CE2-CZ 3.66Å; W64-F75 AromaticContact CH2-CZ 3.99Å; W64-F75 HydrophobicContact CH2-CZ 3.99Å; W64-F75 HydrophobicContact CZ2-CE1 4.16Å; W64-F75 AromaticContact CZ2-CE2 3.7Å; W64-F75 HydrophobicContact CZ2-CE2 3.7Å; W64-F75 AromaticContact CZ2-CZ 3.23Å; W64-F75 HydrophobicContact CZ2-CZ 3.23Å; W64-F75 AromaticContact NE1-CE2 3.39Å; W64-F75 AromaticContact NE1-CZ 3.87Å |
| 65 | L | 67.2 | Low | 64.7 | Low | 66 Ų | 66 | 107 Ų | 107 | 35% | 0.346 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 174.9 | -74.8 | 169.6 | 0 | 0 | 0 | 111.1 | R61 R62 Q67 A68 Y69 | R61-L65 HydrophobicContact CG-CD1 4.41Å; R61-L65 WeakPolarHBondContact O-CG 3.4Å; R61-L65 PolarHBondContact O-N 3.35Å; R62-L65 PolarHBondContact O-N 2.92Å; L65-Q67 PolarHBondContact O-N 3.38Å; L65-A68 PolarHBondContact O-N 3Å; L65-Y69 HydrophobicContact CB-CE2 4.47Å; L65-Y69 WeakPolarHBondContact O-CD2 3.37Å; L65-Y69 PolarHBondContact O-N 2.79Å; L65-Y69 VanDerWaalsContact O-N 3.1Å |
| 66 | K | 67.3 | Low | 64.6 | Low | 141 Ų | 141 | 107.4 Ų | 107.4 | 61% | 0.613 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.8 | -45.5 | 176.4 | -77.2 | -175 | 174.6 | -169.4 | 0 | 111.9 | R62 I63 Y69 V70 | R62-K66 WeakPolarHBondContact O-CG 3.32Å; R62-K66 PolarHBondContact O-N 3.47Å; I63-K66 PolarHBondContact O-N 3.26Å; K66-Y69 PolarHBondContact O-N 3.28Å; K66-V70 WeakPolarHBondContact O-CG2 3.14Å; K66-V70 PolarHBondContact O-N 2.89Å |
| 67 | Q | 63.5 | Low | 63.9 | Low | 125 Ų | 125 | 106.7 Ų | 106.7 | 58% | 0.584 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.8 | -41.2 | 176.8 | -90.2 | -179.7 | -15.3 | 0 | 0 | 112.7 | I63 W64 L65 Y69 V70 S71 | I63-Q67 PolarHBondContact O-N 3Å; W64-Q67 PolarHBondContact O-N 2.89Å; L65-Q67 PolarHBondContact O-N 3.38Å; Q67-Y69 VanDerWaalsContact C-N 3.27Å; Q67-Y69 PolarHBondContact O-N 3.14Å; Q67-V70 PolarHBondContact O-N 3.23Å; Q67-S71 PolarHBondContact O-N 3.46Å |
| 68 | A | 59.8 | Low | 63 | Low | 18 Ų | 18 | 108.2 Ų | 108.2 | 15% | 0.149 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -61.4 | -35.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | W64 L65 S71 P72 F75 | W64-A68 WeakPolarHBondContact O-CB 3.42Å; W64-A68 PolarHBondContact O-N 3.44Å; L65-A68 PolarHBondContact O-N 3Å; A68-S71 CarbonylContact O-C 3.53Å; A68-P72 VanDerWaalsContact O-CA 3.29Å; A68-P72 WeakPolarHBondContact O-CA 3.41Å; A68-F75 HydrophobicContact CB-CD1 4.35Å; A68-F75 HydrophobicContact CB-CD2 4.29Å; A68-F75 HydrophobicContact CB-CG 4.1Å |
| 69 | Y | 62.7 | Low | 62.4 | Low | 186 Ų | 186 | 106.9 Ų | 106.9 | 73% | 0.729 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -78.1 | -34.9 | 174.9 | -70.7 | -64.5 | 0 | 0 | 0 | 113.7 | L65 K66 Q67 S71 | L65-Y69 HydrophobicContact CB-CE2 4.47Å; L65-Y69 WeakPolarHBondContact O-CD2 3.37Å; L65-Y69 PolarHBondContact O-N 2.79Å; L65-Y69 VanDerWaalsContact O-N 3.1Å; K66-Y69 PolarHBondContact O-N 3.28Å; Q67-Y69 VanDerWaalsContact C-N 3.27Å; Q67-Y69 PolarHBondContact O-N 3.14Å; Y69-S71 VanDerWaalsContact C-N 3.34Å |
| 70 | V | 63.4 | Low | 61.4 | Low | 127 Ų | 127 | 109.5 Ų | 109.5 | 77% | 0.77 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.2 | -35.7 | 179.3 | 170 | 0 | 0 | 0 | 0 | 111.2 | K66 Q67 | K66-V70 WeakPolarHBondContact O-CG2 3.14Å; K66-V70 PolarHBondContact O-N 2.89Å; Q67-V70 PolarHBondContact O-N 3.23Å |
| 71 | S | 62.3 | Low | 60.5 | Low | 40 Ų | 40 | 107.3 Ų | 107.3 | 28% | 0.28 | 53% | 0.533 | S | S | . | . | trans | -144.3 | 82.2 | 175.6 | 61.5 | 0 | 0 | 0 | 0 | 111.7 | Q67 A68 Y69 I73 A74 F75 | Q67-S71 PolarHBondContact O-N 3.46Å; A68-S71 CarbonylContact O-C 3.53Å; Y69-S71 VanDerWaalsContact C-N 3.34Å; S71-I73 PolarHBondContact O-N 2.88Å; S71-A74 PolarHBondContact O-N 3.34Å; S71-F75 WeakPolarHBondContact O-CB 3.48Å; S71-F75 PolarHBondContact O-N 3.47Å | ||
| 72 | P | 61.1 | Low | 59.8 | Low | 81 Ų | 81 | 105.7 Ų | 105.7 | 53% | 0.526 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -55.5 | -35.9 | 175.8 | -22 | 30.9 | 0 | 0 | 0 | 111.7 | A68 F75 A76 | A68-P72 VanDerWaalsContact O-CA 3.29Å; A68-P72 WeakPolarHBondContact O-CA 3.41Å; P72-F75 PolarHBondContact O-N 2.95Å; P72-A76 WeakPolarHBondContact O-CB 3.4Å; P72-A76 PolarHBondContact O-N 2.91Å |
| 73 | I | 59 | Low | 58.9 | Low | 81 Ų | 81 | 100.2 Ų | 100.2 | 42% | 0.415 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.5 | -48.4 | -177.2 | -59.9 | 172.3 | 0 | 0 | 0 | 111.4 | S71 F75 A76 I78 | S71-I73 PolarHBondContact O-N 2.88Å; I73-F75 VanDerWaalsContact C-N 3.26Å; I73-F75 PolarHBondContact O-N 3.45Å; I73-A76 PolarHBondContact O-N 3.08Å; I73-I78 HydrophobicContact CG2-CB 3.72Å; I73-I78 HydrophobicContact CG2-CD1 4.47Å; I73-I78 HydrophobicContact CG2-CG2 3.85Å; I73-I78 WeakPolarHBondContact O-CB 3.2Å; I73-I78 PolarHBondContact O-N 3.03Å; I73-I78 VanDerWaalsContact O-N 3.1Å |
| 74 | A | 54 | Low | 57.9 | Low | 65 Ų | 65 | 101 Ų | 101 | 54% | 0.537 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.8 | -29.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S71 G77 | S71-A74 PolarHBondContact O-N 3.34Å; A74-G77 PolarHBondContact O-N 3.45Å |
| 75 | F | 53.9 | Low | 57.1 | Low | 106 Ų | 106 | 105.5 Ų | 105.5 | 47% | 0.465 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.1 | -38.4 | 175.1 | -177 | -96.7 | 0 | 0 | 0 | 112.8 | W64 A68 S71 P72 I73 G77 | W64-F75 AromaticContact CE2-CE2 3.58Å; W64-F75 AromaticContact CE2-CZ 3.66Å; W64-F75 AromaticContact CH2-CZ 3.99Å; W64-F75 HydrophobicContact CH2-CZ 3.99Å; W64-F75 HydrophobicContact CZ2-CE1 4.16Å; W64-F75 AromaticContact CZ2-CE2 3.7Å; W64-F75 HydrophobicContact CZ2-CE2 3.7Å; W64-F75 AromaticContact CZ2-CZ 3.23Å; W64-F75 HydrophobicContact CZ2-CZ 3.23Å; W64-F75 AromaticContact NE1-CE2 3.39Å; W64-F75 AromaticContact NE1-CZ 3.87Å; A68-F75 HydrophobicContact CB-CD1 4.35Å; A68-F75 HydrophobicContact CB-CD2 4.29Å; A68-F75 HydrophobicContact CB-CG 4.1Å; S71-F75 WeakPolarHBondContact O-CB 3.48Å; S71-F75 PolarHBondContact O-N 3.47Å; P72-F75 PolarHBondContact O-N 2.95Å; I73-F75 VanDerWaalsContact C-N 3.26Å; I73-F75 PolarHBondContact O-N 3.45Å; F75-G77 PolarHBondContact O-N 3.03Å |
| 76 | A | 60.6 | Low | 56.4 | Low | 67 Ų | 67 | 106.7 Ų | 106.7 | 55% | 0.554 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 0.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | P72 I73 I78 | P72-A76 WeakPolarHBondContact O-CB 3.4Å; P72-A76 PolarHBondContact O-N 2.91Å; I73-A76 PolarHBondContact O-N 3.08Å; A76-I78 HydrophobicContact CB-CD1 3.99Å; A76-I78 HydrophobicContact CB-CG1 3.99Å; A76-I78 PolarHBondContact O-N 3.39Å |
| 77 | G | 53.9 | Low | 55.6 | Low | 50 Ų | 50 | 104.5 Ų | 104.5 | 52% | 0.515 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 73.1 | 11 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A74 F75 Q79 | A74-G77 PolarHBondContact O-N 3.45Å; F75-G77 PolarHBondContact O-N 3.03Å; G77-Q79 PolarHBondContact O-N 2.91Å |
| 78 | I | 51.6 | Low | 55 | Low | 89 Ų | 89 | 108.3 Ų | 108.3 | 46% | 0.456 | 60% | 0.595 | S | S | . | * | trans | -77.6 | 99 | 178 | -56.7 | 171.1 | 0 | 0 | 0 | 107 | I73 A76 R80 | I73-I78 HydrophobicContact CG2-CB 3.72Å; I73-I78 HydrophobicContact CG2-CD1 4.47Å; I73-I78 HydrophobicContact CG2-CG2 3.85Å; I73-I78 WeakPolarHBondContact O-CB 3.2Å; I73-I78 PolarHBondContact O-N 3.03Å; I73-I78 VanDerWaalsContact O-N 3.1Å; A76-I78 HydrophobicContact CB-CD1 3.99Å; A76-I78 HydrophobicContact CB-CG1 3.99Å; A76-I78 PolarHBondContact O-N 3.39Å; I78-R80 PolarHBondContact O-N 2.95Å | ||
| 79 | Q | 55.8 | Low | 54.7 | Low | 159 Ų | 159 | 113.6 Ų | 113.6 | 74% | 0.743 | 62% | 0.621 | S | S | * | * | trans | -62 | 130 | 167.6 | -66.1 | -160.8 | -4.6 | 0 | 0 | 108.1 | G77 N81 | G77-Q79 PolarHBondContact O-N 2.91Å; Q79-N81 PolarHBondContact O-N 3.31Å | ||
| 80 | R | 51 | Low | 54.4 | Low | 196 Ų | 196 | 109.3 Ų | 109.3 | 74% | 0.74 | 61% | 0.614 | S | S | * | * | trans | -69.6 | 88.8 | 165.7 | -68.6 | -177.8 | -175.6 | 162.8 | 1.2 | 105.9 | I78 T82 | I78-R80 PolarHBondContact O-N 2.95Å; R80-T82 VanDerWaalsContact C-N 3.26Å; R80-T82 PolarHBondContact O-N 3.04Å | ||
| 81 | N | 52.2 | Low | 54.3 | Low | 107 Ų | 107 | 106.9 Ų | 106.9 | 57% | 0.572 | 60% | 0.599 | S | S | * | * | trans | -62.4 | 100 | 164.7 | -68.7 | -2.5 | 0 | 0 | 0 | 105.4 | Q79 G83 | Q79-N81 PolarHBondContact O-N 3.31Å; N81-G83 PolarHBondContact O-N 3.49Å | ||
| 82 | T | 51.6 | Low | 54.7 | Low | 145 Ų | 145 | 108 Ų | 108 | 89% | 0.89 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 11.7 | 173.5 | 48.7 | 0 | 0 | 0 | 0 | 111.9 | R80 | R80-T82 VanDerWaalsContact C-N 3.26Å; R80-T82 PolarHBondContact O-N 3.04Å |
| 83 | G | 49.4 | Very low | 55.6 | Low | 58 Ų | 58 | 113.8 Ų | 113.8 | 60% | 0.598 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -40.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | N81 | N81-G83 PolarHBondContact O-N 3.49Š|
| 84 | D | 48.2 | Very low | 56.6 | Low | 105 Ų | 105 | 115.6 Ų | 115.6 | 56% | 0.561 | 63% | 0.625 | S | S | * | * | trans | -121.3 | 103 | -159.6 | -57.6 | -37.2 | 0 | 0 | 0 | 112.6 | A86 | D84-A86 PolarHBondContact O-N 3.09Š| ||
| 85 | K | 50.1 | Low | 57.8 | Low | 203 Ų | 203 | 119.9 Ų | 119.9 | 88% | 0.883 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 2.1 | 177.2 | -71.3 | 179.2 | 177.5 | 171.6 | 0 | 114.3 | ||
| 86 | A | 52.1 | Low | 59.2 | Low | 92 Ų | 92 | 119.5 Ų | 119.5 | 76% | 0.76 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | -17 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | D84 | D84-A86 PolarHBondContact O-N 3.09Š|
| 87 | T | 51.9 | Low | 60.4 | Low | 95 Ų | 95 | 119.7 Ų | 119.7 | 58% | 0.583 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -92.3 | 4.2 | -175.7 | 54.8 | 0 | 0 | 0 | 0 | 114.4 | T91 | T87-T91 PolarHBondContact O-OG1 2.93Š|
| 88 | R | 50.7 | Low | 61.8 | Low | 205 Ų | 205 | 121.6 Ų | 121.6 | 77% | 0.774 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -74 | -25.9 | -171.5 | -107.8 | 177.5 | 153.6 | 148.4 | -6.9 | 114.9 | ||
| 89 | D | 54.3 | Low | 63.4 | Low | 129 Ų | 129 | 122 Ų | 122 | 69% | 0.69 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -87.1 | -37.7 | -169.6 | -70.6 | -14.2 | 0 | 0 | 0 | 113.6 | T91 S92 | D89-T91 PolarHBondContact O-N 3.12Å; D89-S92 PolarHBondContact O-N 3.1Å; D89-S92 PolarHBondContact O-OG 3.26Å |
| 90 | V | 55.2 | Low | 65 | Low | 96 Ų | 96 | 120.8 Ų | 120.8 | 58% | 0.582 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.8 | -43.7 | -178.3 | -175.5 | 0 | 0 | 0 | 0 | 111.3 | S92 R93 E94 | V90-S92 PolarHBondContact O-N 3.32Å; V90-R93 PolarHBondContact O-N 2.93Å; V90-E94 PolarHBondContact O-N 3.21Å |
| 91 | T | 61.7 | Low | 67 | Low | 75 Ų | 75 | 117.1 Ų | 117.1 | 46% | 0.46 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -58 | -33.7 | 179.2 | -45.8 | 0 | 0 | 0 | 0 | 112.4 | T87 D89 Y95 | T87-T91 PolarHBondContact O-OG1 2.93Å; D89-T91 PolarHBondContact O-N 3.12Å; T91-Y95 VanDerWaalsContact O-CB 3.24Å; T91-Y95 WeakPolarHBondContact O-CB 3.41Å; T91-Y95 PolarHBondContact O-N 3.26Å |
| 92 | S | 70.7 | Confident | 68.9 | Low | 63 Ų | 63 | 115.6 Ų | 115.6 | 44% | 0.441 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.3 | -42.5 | -178.7 | 75.1 | 0 | 0 | 0 | 0 | 112 | D89 V90 L96 | D89-S92 PolarHBondContact O-N 3.1Å; D89-S92 PolarHBondContact O-OG 3.26Å; V90-S92 PolarHBondContact O-N 3.32Å; S92-L96 VanDerWaalsContact O-CG 3.27Å; S92-L96 WeakPolarHBondContact O-CG 3.41Å; S92-L96 PolarHBondContact O-N 3.46Å |
| 93 | R | 80.2 | Confident | 70.8 | Confident | 203 Ų | 203 | 113.2 Ų | 113.2 | 77% | 0.766 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.3 | -44.2 | 179.7 | -175.7 | 178.2 | -179.7 | 173.3 | 0.1 | 111.7 | V90 L96 S97 | V90-R93 PolarHBondContact O-N 2.93Å; R93-L96 PolarHBondContact O-N 3.17Å; R93-S97 PolarHBondContact O-N 3.44Å |
| 94 | E | 78.8 | Confident | 72.9 | Confident | 119 Ų | 119 | 117.7 Ų | 117.7 | 56% | 0.556 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.1 | -45.1 | 176.9 | -68.9 | 176.4 | 179.1 | 0 | 0 | 111.2 | V90 L96 S97 E98 | V90-E94 PolarHBondContact O-N 3.21Å; E94-L96 PolarHBondContact O-N 3.48Å; E94-S97 PolarHBondContact O-N 2.88Å; E94-E98 WeakPolarHBondContact O-CG 3.48Å; E94-E98 PolarHBondContact O-N 3.45Å |
| 95 | Y | 80.6 | Confident | 75.2 | Confident | 156 Ų | 156 | 116.2 Ų | 116.2 | 61% | 0.612 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -59 | -44.7 | 175.6 | 176 | -95.9 | 0 | 0 | 0 | 112.4 | T91 E98 F99 | T91-Y95 VanDerWaalsContact O-CB 3.24Å; T91-Y95 WeakPolarHBondContact O-CB 3.41Å; T91-Y95 PolarHBondContact O-N 3.26Å; Y95-E98 PolarHBondContact O-N 3.18Å; Y95-F99 VanDerWaalsContact O-CB 3.23Å; Y95-F99 WeakPolarHBondContact O-CB 3.47Å; Y95-F99 PolarHBondContact O-N 2.92Å |
| 96 | L | 83.3 | Confident | 77.3 | Confident | 98 Ų | 98 | 113.7 Ų | 113.7 | 51% | 0.513 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 177.7 | -70.9 | 174.6 | 0 | 0 | 0 | 111.7 | S92 R93 E94 F99 E100 | S92-L96 VanDerWaalsContact O-CG 3.27Å; S92-L96 WeakPolarHBondContact O-CG 3.41Å; S92-L96 PolarHBondContact O-N 3.46Å; R93-L96 PolarHBondContact O-N 3.17Å; E94-L96 PolarHBondContact O-N 3.48Å; L96-F99 PolarHBondContact O-N 2.94Å; L96-E100 WeakPolarHBondContact O-CG 3.49Å; L96-E100 PolarHBondContact O-N 2.93Å |
| 97 | S | 84.9 | Confident | 79.2 | Confident | 70 Ų | 70 | 116 Ų | 116 | 49% | 0.49 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 177.1 | -171.6 | 0 | 0 | 0 | 0 | 112.2 | R93 E94 F99 E100 R101 | R93-S97 PolarHBondContact O-N 3.44Å; E94-S97 PolarHBondContact O-N 2.88Å; S97-F99 VanDerWaalsContact C-N 3.34Å; S97-F99 PolarHBondContact O-N 3.31Å; S97-E100 PolarHBondContact O-N 2.87Å; S97-R101 WeakPolarHBondContact O-CB 3.46Å; S97-R101 PolarHBondContact O-N 3.37Å |
| 98 | E | 84.4 | Confident | 81.1 | Confident | 90 Ų | 90 | 116.2 Ų | 116.2 | 42% | 0.421 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 175.3 | -76.2 | -66.2 | 128.5 | 0 | 0 | 111.8 | E94 Y95 R101 E102 | E94-E98 WeakPolarHBondContact O-CG 3.48Å; E94-E98 PolarHBondContact O-N 3.45Å; Y95-E98 PolarHBondContact O-N 3.18Å; E98-R101 VanDerWaalsContact CD-CZ 3.46Å; E98-R101 WeakPolarHBondContact O-CB 3.47Å; E98-R101 PolarHBondContact O-N 2.98Å; E98-R101 IonicContact OE1-CZ 3.48Å; E98-R101 IonicContact OE1-NE 3.38Å; E98-R101 IonicContact OE1-NH1 3.99Å; E98-R101 PolarHBondContact OE1-NH1 3.37Å; E98-R101 IonicContact OE1-NH2 3.38Å; E98-R101 IonicContact OE2-CZ 3.22Å; E98-R101 IonicContact OE2-NE 3.57Å; E98-R101 IonicContact OE2-NH1 2.77Å; E98-R101 PolarHBondContact OE2-NH1 3.27Å; E98-R101 IonicContact OE2-NH2 2.86Å; E98-R101 PolarHBondContact OE2-NH2 2.93Å; E98-E102 WeakPolarHBondContact O-CB 3.23Å; E98-E102 PolarHBondContact O-N 2.96Å |
| 99 | F | 84.9 | Confident | 83 | Confident | 99 Ų | 99 | 109.3 Ų | 109.3 | 43% | 0.434 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 175.7 | 177.8 | -100 | 0 | 0 | 0 | 112.1 | Y95 L96 S97 E102 K103 | Y95-F99 VanDerWaalsContact O-CB 3.23Å; Y95-F99 WeakPolarHBondContact O-CB 3.47Å; Y95-F99 PolarHBondContact O-N 2.92Å; L96-F99 PolarHBondContact O-N 2.94Å; S97-F99 VanDerWaalsContact C-N 3.34Å; S97-F99 PolarHBondContact O-N 3.31Å; F99-E102 PolarHBondContact O-N 3.29Å; F99-K103 HydrophobicContact CE1-CD 4.39Å; F99-K103 VanDerWaalsContact O-CB 3.25Å; F99-K103 WeakPolarHBondContact O-CB 3.45Å; F99-K103 PolarHBondContact O-N 3Å |
| 100 | E | 89.2 | Confident | 84.9 | Confident | 132 Ų | 132 | 107.1 Ų | 107.1 | 62% | 0.617 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64 | -41.8 | 174.7 | -75.4 | -178.5 | 173 | 0 | 0 | 111.9 | L96 S97 K103 R104 | L96-E100 WeakPolarHBondContact O-CG 3.49Å; L96-E100 PolarHBondContact O-N 2.93Å; S97-E100 PolarHBondContact O-N 2.87Å; E100-K103 PolarHBondContact O-N 2.67Å; E100-R104 WeakPolarHBondContact O-CB 3.2Å; E100-R104 PolarHBondContact O-N 3.07Å |
| 101 | R | 92 | Very high | 86.6 | Confident | 120 Ų | 120 | 111.4 Ų | 111.4 | 45% | 0.453 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.1 | -50.9 | 175 | -169.6 | -173.5 | 80.8 | -171.3 | 4.1 | 111.1 | S97 E98 K103 R104 L105 | S97-R101 WeakPolarHBondContact O-CB 3.46Å; S97-R101 PolarHBondContact O-N 3.37Å; E98-R101 VanDerWaalsContact CD-CZ 3.46Å; E98-R101 WeakPolarHBondContact O-CB 3.47Å; E98-R101 PolarHBondContact O-N 2.98Å; E98-R101 IonicContact OE1-CZ 3.48Å; E98-R101 IonicContact OE1-NE 3.38Å; E98-R101 IonicContact OE1-NH1 3.99Å; E98-R101 PolarHBondContact OE1-NH1 3.37Å; E98-R101 IonicContact OE1-NH2 3.38Å; E98-R101 IonicContact OE2-CZ 3.22Å; E98-R101 IonicContact OE2-NE 3.57Å; E98-R101 IonicContact OE2-NH1 2.77Å; E98-R101 PolarHBondContact OE2-NH1 3.27Å; E98-R101 IonicContact OE2-NH2 2.86Å; E98-R101 PolarHBondContact OE2-NH2 2.93Å; R101-K103 PolarHBondContact O-N 3.05Å; R101-R104 WeakPolarHBondContact O-CB 3.5Å; R101-R104 PolarHBondContact O-N 2.98Å; R101-L105 HydrophobicContact CG-CD1 4.36Å; R101-L105 WeakPolarHBondContact O-CG 3.19Å; R101-L105 PolarHBondContact O-N 3.49Å |
| 102 | E | 91.9 | Very high | 88 | Confident | 75 Ų | 75 | 109.2 Ų | 109.2 | 35% | 0.35 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 178.2 | 176.1 | 60.4 | -167 | 0 | 0 | 111.5 | E98 F99 R104 L105 R106 | E98-E102 WeakPolarHBondContact O-CB 3.23Å; E98-E102 PolarHBondContact O-N 2.96Å; F99-E102 PolarHBondContact O-N 3.29Å; E102-R104 VanDerWaalsContact C-N 3.29Å; E102-R104 PolarHBondContact O-N 2.92Å; E102-L105 PolarHBondContact O-N 3.18Å; E102-R106 WeakPolarHBondContact O-CG 3.46Å; E102-R106 PolarHBondContact O-N 3.38Å; E102-R106 IonicContact OE1-CZ 3.2Å; E102-R106 IonicContact OE1-NE 2.75Å; E102-R106 PolarHBondContact OE1-NE 2.96Å; E102-R106 IonicContact OE1-NH2 2.85Å; E102-R106 PolarHBondContact OE1-NH2 3.38Å |
| 103 | K | 93 | Very high | 89.1 | Confident | 95 Ų | 95 | 109.4 Ų | 109.4 | 41% | 0.413 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60 | -40 | 175.3 | -173.2 | 178.4 | -174.8 | -179.2 | 0 | 111.7 | F99 E100 R101 R107 | F99-K103 HydrophobicContact CE1-CD 4.39Å; F99-K103 VanDerWaalsContact O-CB 3.25Å; F99-K103 WeakPolarHBondContact O-CB 3.45Å; F99-K103 PolarHBondContact O-N 3Å; E100-K103 PolarHBondContact O-N 2.67Å; R101-K103 PolarHBondContact O-N 3.05Å; K103-R107 VanDerWaalsContact CE-NH2 3.34Å; K103-R107 VanDerWaalsContact O-CG 3.29Å; K103-R107 WeakPolarHBondContact O-CG 3.44Å; K103-R107 PolarHBondContact O-N 2.9Å; K103-R107 VanDerWaalsContact O-N 3.15Å |
| 104 | R | 93.9 | Very high | 89.8 | Confident | 152 Ų | 152 | 103.1 Ų | 103.1 | 57% | 0.574 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.9 | -46.7 | 174.8 | -173.3 | -179.3 | 75.1 | 179.1 | 2.9 | 111.4 | E100 R101 E102 R106 R107 Q108 | E100-R104 WeakPolarHBondContact O-CB 3.2Å; E100-R104 PolarHBondContact O-N 3.07Å; R101-R104 WeakPolarHBondContact O-CB 3.5Å; R101-R104 PolarHBondContact O-N 2.98Å; E102-R104 VanDerWaalsContact C-N 3.29Å; E102-R104 PolarHBondContact O-N 2.92Å; R104-R106 PolarHBondContact O-N 3.23Å; R104-R107 WeakPolarHBondContact O-CB 3.49Å; R104-R107 PolarHBondContact O-N 3.23Å; R104-Q108 WeakPolarHBondContact O-CG 3.49Å; R104-Q108 PolarHBondContact O-N 3.4Å |
| 105 | L | 95.2 | Very high | 90.5 | Very high | 74 Ų | 74 | 97.9 Ų | 97.9 | 39% | 0.387 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 178.7 | -72.5 | 170.4 | 0 | 0 | 0 | 111.6 | R101 E102 R107 Q108 A109 | R101-L105 HydrophobicContact CG-CD1 4.36Å; R101-L105 WeakPolarHBondContact O-CG 3.19Å; R101-L105 PolarHBondContact O-N 3.49Å; E102-L105 PolarHBondContact O-N 3.18Å; L105-R107 VanDerWaalsContact C-N 3.34Å; L105-R107 PolarHBondContact O-N 3.48Å; L105-Q108 PolarHBondContact O-N 3.15Å; L105-A109 WeakPolarHBondContact O-CB 3.4Å; L105-A109 PolarHBondContact O-N 3.3Å |
| 106 | R | 94.4 | Very high | 91.1 | Very high | 149 Ų | 149 | 94.3 Ų | 94.3 | 56% | 0.562 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -57.7 | -46.2 | 174.7 | -72 | 178.7 | -170.5 | 166.5 | 6.9 | 112 | E102 R104 Q108 A109 T110 | E102-R106 WeakPolarHBondContact O-CG 3.46Å; E102-R106 PolarHBondContact O-N 3.38Å; E102-R106 IonicContact OE1-CZ 3.2Å; E102-R106 IonicContact OE1-NE 2.75Å; E102-R106 PolarHBondContact OE1-NE 2.96Å; E102-R106 IonicContact OE1-NH2 2.85Å; E102-R106 PolarHBondContact OE1-NH2 3.38Å; R104-R106 PolarHBondContact O-N 3.23Å; R106-Q108 VanDerWaalsContact C-N 3.34Å; R106-Q108 PolarHBondContact O-N 2.89Å; R106-A109 PolarHBondContact O-N 3.35Å; R106-T110 PolarHBondContact O-N 3.25Å; R106-T110 PolarHBondContact O-OG1 3.35Å |
| 107 | R | 93 | Very high | 91.7 | Very high | 140 Ų | 140 | 97 Ų | 97 | 53% | 0.528 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 176.9 | -73.1 | 168.7 | 173.9 | -178.5 | -6.6 | 112 | K103 R104 L105 R111 | K103-R107 VanDerWaalsContact CE-NH2 3.34Å; K103-R107 VanDerWaalsContact O-CG 3.29Å; K103-R107 WeakPolarHBondContact O-CG 3.44Å; K103-R107 PolarHBondContact O-N 2.9Å; K103-R107 VanDerWaalsContact O-N 3.15Å; R104-R107 WeakPolarHBondContact O-CB 3.49Å; R104-R107 PolarHBondContact O-N 3.23Å; L105-R107 VanDerWaalsContact C-N 3.34Å; L105-R107 PolarHBondContact O-N 3.48Å; R107-R111 WeakPolarHBondContact O-CB 3.37Å; R107-R111 VanDerWaalsContact O-CG 3.23Å; R107-R111 WeakPolarHBondContact O-CG 3.39Å; R107-R111 PolarHBondContact O-N 3.43Å |
| 108 | Q | 90.7 | Very high | 92.1 | Very high | 100 Ų | 100 | 97.6 Ų | 97.6 | 47% | 0.467 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.3 | -46.2 | 176.2 | -74.9 | 176 | -25.2 | 0 | 0 | 111.3 | R104 L105 R106 T110 R111 G112 | R104-Q108 WeakPolarHBondContact O-CG 3.49Å; R104-Q108 PolarHBondContact O-N 3.4Å; L105-Q108 PolarHBondContact O-N 3.15Å; R106-Q108 VanDerWaalsContact C-N 3.34Å; R106-Q108 PolarHBondContact O-N 2.89Å; Q108-T110 PolarHBondContact O-N 3.41Å; Q108-R111 PolarHBondContact O-N 3.15Å; Q108-G112 PolarHBondContact O-N 2.95Å |
| 109 | A | 91.8 | Very high | 92.5 | Very high | 60 Ų | 60 | 93.4 Ų | 93.4 | 50% | 0.496 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.8 | -46.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L105 R106 R111 G112 T113 | L105-A109 WeakPolarHBondContact O-CB 3.4Å; L105-A109 PolarHBondContact O-N 3.3Å; R106-A109 PolarHBondContact O-N 3.35Å; A109-R111 PolarHBondContact O-N 2.97Å; A109-G112 PolarHBondContact O-N 3.38Å; A109-T113 WeakPolarHBondContact O-CG2 3.16Å; A109-T113 PolarHBondContact O-N 2.68Å; A109-T113 PolarHBondContact O-OG1 2.69Å |
| 110 | T | 92.9 | Very high | 92.9 | Very high | 83 Ų | 83 | 91.3 Ų | 91.3 | 51% | 0.509 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 176.5 | -54.4 | 0 | 0 | 0 | 0 | 112.2 | R106 Q108 G112 T113 V114 | R106-T110 PolarHBondContact O-N 3.25Å; R106-T110 PolarHBondContact O-OG1 3.35Å; Q108-T110 PolarHBondContact O-N 3.41Å; T110-G112 VanDerWaalsContact C-N 3.34Å; T110-T113 WeakPolarHBondContact CA-OG1 3.32Å; T110-T113 PolarHBondContact O-N 3.21Å; T110-T113 PolarHBondContact O-OG1 2.85Å; T110-V114 HydrophobicContact CG2-CG2 4.33Å; T110-V114 WeakPolarHBondContact O-CB 3.48Å; T110-V114 WeakPolarHBondContact O-CG2 3.45Å; T110-V114 PolarHBondContact O-N 2.75Å |
| 111 | R | 90.7 | Very high | 93.1 | Very high | 187 Ų | 187 | 91.7 Ų | 91.7 | 71% | 0.706 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63 | -42.5 | 174.9 | -75.4 | 172.3 | -179.4 | -175.7 | -1 | 111.3 | R107 Q108 A109 V114 A115 | R107-R111 WeakPolarHBondContact O-CB 3.37Å; R107-R111 VanDerWaalsContact O-CG 3.23Å; R107-R111 WeakPolarHBondContact O-CG 3.39Å; R107-R111 PolarHBondContact O-N 3.43Å; Q108-R111 PolarHBondContact O-N 3.15Å; A109-R111 PolarHBondContact O-N 2.97Å; R111-V114 PolarHBondContact O-N 2.91Å; R111-A115 VanDerWaalsContact O-CB 3.31Å; R111-A115 WeakPolarHBondContact O-CB 3.45Å; R111-A115 PolarHBondContact O-N 3.38Å |
| 112 | G | 91.2 | Very high | 93.1 | Very high | 28 Ų | 28 | 90.7 Ų | 90.7 | 29% | 0.289 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q108 A109 T110 A115 L116 | Q108-G112 PolarHBondContact O-N 2.95Å; A109-G112 PolarHBondContact O-N 3.38Å; T110-G112 VanDerWaalsContact C-N 3.34Å; G112-A115 PolarHBondContact O-N 2.88Å; G112-L116 WeakPolarHBondContact O-CG 3.25Å; G112-L116 PolarHBondContact O-N 3.21Å |
| 113 | T | 94.7 | Very high | 93.1 | Very high | 67 Ų | 67 | 88.5 Ų | 88.5 | 41% | 0.411 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 177.5 | 56.4 | 0 | 0 | 0 | 0 | 111.8 | A109 T110 A115 L116 F117 | A109-T113 WeakPolarHBondContact O-CG2 3.16Å; A109-T113 PolarHBondContact O-N 2.68Å; A109-T113 PolarHBondContact O-OG1 2.69Å; T110-T113 WeakPolarHBondContact CA-OG1 3.32Å; T110-T113 PolarHBondContact O-N 3.21Å; T110-T113 PolarHBondContact O-OG1 2.85Å; T113-A115 VanDerWaalsContact C-N 3.34Å; T113-A115 PolarHBondContact O-N 3.47Å; T113-L116 WeakPolarHBondContact O-CB 3.36Å; T113-L116 PolarHBondContact O-N 3.23Å; T113-F117 WeakPolarHBondContact O-CD2 3.29Å; T113-F117 PolarHBondContact O-N 2.89Å |
| 114 | V | 94.3 | Very high | 93 | Very high | 71 Ų | 71 | 89.9 Ų | 89.9 | 43% | 0.43 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 176.3 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | T110 R111 L116 F117 N118 | T110-V114 HydrophobicContact CG2-CG2 4.33Å; T110-V114 WeakPolarHBondContact O-CB 3.48Å; T110-V114 WeakPolarHBondContact O-CG2 3.45Å; T110-V114 PolarHBondContact O-N 2.75Å; R111-V114 PolarHBondContact O-N 2.91Å; V114-L116 VanDerWaalsContact C-N 3.35Å; V114-L116 PolarHBondContact O-N 3.4Å; V114-F117 PolarHBondContact O-N 3.31Å; V114-N118 WeakPolarHBondContact CG1-ND2 3.49Å; V114-N118 VanDerWaalsContact O-CB 3.32Å; V114-N118 WeakPolarHBondContact O-CB 3.44Å; V114-N118 PolarHBondContact O-N 3.49Å; V114-N118 PolarHBondContact O-ND2 3.33Å |
| 115 | A | 92.8 | Very high | 92.9 | Very high | 9 Ų | 9 | 85.8 Ų | 85.8 | 7% | 0.074 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.8 | -43 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R111 G112 T113 N118 A119 L156 I160 | R111-A115 VanDerWaalsContact O-CB 3.31Å; R111-A115 WeakPolarHBondContact O-CB 3.45Å; R111-A115 PolarHBondContact O-N 3.38Å; G112-A115 PolarHBondContact O-N 2.88Å; T113-A115 VanDerWaalsContact C-N 3.34Å; T113-A115 PolarHBondContact O-N 3.47Å; A115-N118 PolarHBondContact O-N 2.86Å; A115-A119 VanDerWaalsContact O-CB 3.28Å; A115-A119 WeakPolarHBondContact O-CB 3.5Å; A115-A119 PolarHBondContact O-N 2.9Å; A115-L156 HydrophobicContact CB-CD1 4.2Å; A115-I160 HydrophobicContact CB-CD1 4.48Å; A115-I160 HydrophobicContact CB-CG1 3.72Å |
| 116 | L | 94.8 | Very high | 92.6 | Very high | 82 Ų | 82 | 84 Ų | 84 | 43% | 0.429 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60 | -51.4 | 174.8 | -73.7 | 166.9 | 0 | 0 | 0 | 111.8 | G112 T113 V114 N118 A119 V120 F152 L156 | G112-L116 WeakPolarHBondContact O-CG 3.25Å; G112-L116 PolarHBondContact O-N 3.21Å; T113-L116 WeakPolarHBondContact O-CB 3.36Å; T113-L116 PolarHBondContact O-N 3.23Å; V114-L116 VanDerWaalsContact C-N 3.35Å; V114-L116 PolarHBondContact O-N 3.4Å; L116-N118 VanDerWaalsContact C-N 3.32Å; L116-N118 PolarHBondContact O-N 3.38Å; L116-A119 PolarHBondContact O-N 3.4Å; L116-V120 WeakPolarHBondContact O-CG2 3.25Å; L116-V120 PolarHBondContact O-N 3.15Å; L116-F152 HydrophobicContact CD2-CZ 4.22Å; L116-L156 HydrophobicContact CD2-CD1 3.78Å; L116-L156 HydrophobicContact CD2-CD2 3.82Å; L116-L156 HydrophobicContact CD2-CG 4.48Å; L116-L156 HydrophobicContact CG-CD1 4.15Å |
| 117 | F | 95.4 | Very high | 92.3 | Very high | 154 Ų | 154 | 78 Ų | 78 | 68% | 0.675 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.7 | -40.9 | 179.6 | -79 | -66.9 | 0 | 0 | 0 | 112.4 | T113 V114 K121 | T113-F117 WeakPolarHBondContact O-CD2 3.29Å; T113-F117 PolarHBondContact O-N 2.89Å; V114-F117 PolarHBondContact O-N 3.31Å; F117-K121 VanDerWaalsContact O-CB 3.29Å; F117-K121 WeakPolarHBondContact O-CB 3.36Å; F117-K121 PolarHBondContact O-N 2.97Å |
| 118 | N | 92.7 | Very high | 92.1 | Very high | 83 Ų | 83 | 72.7 Ų | 72.7 | 44% | 0.444 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 177.9 | -72.1 | -17.9 | 0 | 0 | 0 | 111.6 | V114 A115 L116 K121 Q122 | V114-N118 WeakPolarHBondContact CG1-ND2 3.49Å; V114-N118 VanDerWaalsContact O-CB 3.32Å; V114-N118 WeakPolarHBondContact O-CB 3.44Å; V114-N118 PolarHBondContact O-N 3.49Å; V114-N118 PolarHBondContact O-ND2 3.33Å; A115-N118 PolarHBondContact O-N 2.86Å; L116-N118 VanDerWaalsContact C-N 3.32Å; L116-N118 PolarHBondContact O-N 3.38Å; N118-K121 PolarHBondContact O-N 3.4Å; N118-Q122 WeakPolarHBondContact O-CB 3.44Å; N118-Q122 VanDerWaalsContact O-CG 3.27Å; N118-Q122 WeakPolarHBondContact O-CG 3.39Å; N118-Q122 PolarHBondContact O-N 2.92Å |
| 119 | A | 92.9 | Very high | 92 | Very high | 2 Ų | 2 | 75.4 Ų | 75.4 | 2% | 0.017 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A115 L116 K121 Q122 H123 F152 R155 L156 | A115-A119 VanDerWaalsContact O-CB 3.28Å; A115-A119 WeakPolarHBondContact O-CB 3.5Å; A115-A119 PolarHBondContact O-N 2.9Å; L116-A119 PolarHBondContact O-N 3.4Å; A119-K121 PolarHBondContact O-N 3.41Å; A119-Q122 PolarHBondContact O-N 2.93Å; A119-H123 VanDerWaalsContact O-CB 3.28Å; A119-H123 WeakPolarHBondContact O-CB 3.48Å; A119-H123 PolarHBondContact O-N 2.89Å; A119-F152 HydrophobicContact CB-CD2 4.35Å; A119-F152 HydrophobicContact CB-CE2 3.75Å; A119-F152 HydrophobicContact CB-CZ 4.32Å; A119-R155 HydrophobicContact CB-CB 4.34Å; A119-L156 HydrophobicContact CB-CB 4.05Å; A119-L156 HydrophobicContact CB-CD1 4.01Å |
| 120 | V | 93.1 | Very high | 91.8 | Very high | 54 Ų | 54 | 76.4 Ų | 76.4 | 33% | 0.327 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.2 | -48.6 | 175.8 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | L116 Q122 H123 Q124 F152 | L116-V120 WeakPolarHBondContact O-CG2 3.25Å; L116-V120 PolarHBondContact O-N 3.15Å; V120-Q122 VanDerWaalsContact C-N 3.33Å; V120-Q122 PolarHBondContact O-N 3.36Å; V120-H123 PolarHBondContact O-N 3.49Å; V120-Q124 HydrophobicContact CG1-CG 4.27Å; V120-Q124 WeakPolarHBondContact O-CB 3.37Å; V120-Q124 WeakPolarHBondContact O-CG 3.13Å; V120-Q124 PolarHBondContact O-N 3.13Å; V120-F152 HydrophobicContact CB-CE2 4.44Å; V120-F152 HydrophobicContact CG2-CE2 3.57Å; V120-F152 HydrophobicContact CG2-CZ 4.14Å |
| 121 | K | 94.3 | Very high | 91.4 | Very high | 141 Ų | 141 | 75 Ų | 75 | 61% | 0.613 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -58.8 | -45.2 | 178.9 | -177.1 | 177.7 | -178.9 | 179.7 | 0 | 111.4 | F117 N118 A119 T125 | F117-K121 VanDerWaalsContact O-CB 3.29Å; F117-K121 WeakPolarHBondContact O-CB 3.36Å; F117-K121 PolarHBondContact O-N 2.97Å; N118-K121 PolarHBondContact O-N 3.4Å; A119-K121 PolarHBondContact O-N 3.41Å; K121-T125 VanDerWaalsContact O-CB 3.27Å; K121-T125 WeakPolarHBondContact O-CB 3.37Å; K121-T125 PolarHBondContact O-N 3.4Å; K121-T125 PolarHBondContact O-OG1 2.79Å |
| 122 | Q | 92.3 | Very high | 91.1 | Very high | 98 Ų | 98 | 74 Ų | 74 | 46% | 0.458 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 178.3 | -75.4 | 178 | 0.1 | 0 | 0 | 112 | N118 A119 V120 T125 N126 | N118-Q122 WeakPolarHBondContact O-CB 3.44Å; N118-Q122 VanDerWaalsContact O-CG 3.27Å; N118-Q122 WeakPolarHBondContact O-CG 3.39Å; N118-Q122 PolarHBondContact O-N 2.92Å; A119-Q122 PolarHBondContact O-N 2.93Å; V120-Q122 VanDerWaalsContact C-N 3.33Å; V120-Q122 PolarHBondContact O-N 3.36Å; Q122-T125 PolarHBondContact O-N 3.49Å; Q122-N126 VanDerWaalsContact O-CB 3.3Å; Q122-N126 WeakPolarHBondContact O-CB 3.49Å; Q122-N126 PolarHBondContact O-N 3.26Å |
| 123 | H | 91.1 | Very high | 90.6 | Very high | 29 Ų | 29 | 75.4 Ų | 75.4 | 13% | 0.134 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.8 | -50.5 | 177.4 | -176.5 | 65.8 | 0 | 0 | 0 | 111.1 | A119 V120 T125 N126 I127 V147 D151 F152 | A119-H123 VanDerWaalsContact O-CB 3.28Å; A119-H123 WeakPolarHBondContact O-CB 3.48Å; A119-H123 PolarHBondContact O-N 2.89Å; V120-H123 PolarHBondContact O-N 3.49Å; H123-T125 PolarHBondContact O-N 3.27Å; H123-N126 WeakPolarHBondContact O-CB 3.23Å; H123-N126 PolarHBondContact O-N 2.98Å; H123-I127 WeakPolarHBondContact NE2-CD1 3.23Å; H123-I127 WeakPolarHBondContact O-CG1 3.3Å; H123-I127 PolarHBondContact O-N 3.25Å; H123-V147 VanDerWaalsContact CE1-CG1 3.5Å; H123-V147 WeakPolarHBondContact CE1-CG1 3.33Å; H123-V147 WeakPolarHBondContact NE2-CG1 3.2Å; H123-D151 IonicContact CE1-OD2 3.21Å; H123-D151 PolarHBondContact CE1-OD2 3.38Å; H123-D151 IonicContact CG-OD2 3.7Å; H123-D151 IonicContact ND1-OD2 2.68Å; H123-D151 PolarHBondContact ND1-OD2 2.86Å; H123-F152 HydrophobicContact CB-CD2 4.42Å |
| 124 | Q | 91.4 | Very high | 89.8 | Confident | 124 Ų | 124 | 73 Ų | 73 | 58% | 0.579 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.3 | -41.9 | 176 | -70.9 | 174.2 | -17.3 | 0 | 0 | 112.6 | V120 N126 I127 G128 | V120-Q124 HydrophobicContact CG1-CG 4.27Å; V120-Q124 WeakPolarHBondContact O-CB 3.37Å; V120-Q124 WeakPolarHBondContact O-CG 3.13Å; V120-Q124 PolarHBondContact O-N 3.13Å; Q124-N126 VanDerWaalsContact C-N 3.3Å; Q124-N126 PolarHBondContact O-N 3.36Å; Q124-I127 PolarHBondContact O-N 3.44Å; Q124-G128 PolarHBondContact O-N 2.87Å |
| 125 | T | 91.6 | Very high | 89 | Confident | 67 Ų | 67 | 78.9 Ų | 78.9 | 41% | 0.411 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.3 | -33.4 | 177.7 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | K121 Q122 H123 R129 | K121-T125 VanDerWaalsContact O-CB 3.27Å; K121-T125 WeakPolarHBondContact O-CB 3.37Å; K121-T125 PolarHBondContact O-N 3.4Å; K121-T125 PolarHBondContact O-OG1 2.79Å; Q122-T125 PolarHBondContact O-N 3.49Å; H123-T125 PolarHBondContact O-N 3.27Å; T125-R129 WeakPolarHBondContact O-CG 3.42Å; T125-R129 PolarHBondContact O-N 3.33Å; T125-R129 VanDerWaalsContact O-N 3.1Å; T125-R129 PolarHBondContact O-NE 3.37Å |
| 126 | N | 88.9 | Confident | 88.2 | Confident | 35 Ų | 35 | 82.3 Ų | 82.3 | 19% | 0.187 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -69.5 | -48.4 | 175.8 | -172.3 | 53.1 | 0 | 0 | 0 | 111 | Q122 H123 Q124 G128 R129 Q130 R155 | Q122-N126 VanDerWaalsContact O-CB 3.3Å; Q122-N126 WeakPolarHBondContact O-CB 3.49Å; Q122-N126 PolarHBondContact O-N 3.26Å; H123-N126 WeakPolarHBondContact O-CB 3.23Å; H123-N126 PolarHBondContact O-N 2.98Å; Q124-N126 VanDerWaalsContact C-N 3.3Å; Q124-N126 PolarHBondContact O-N 3.36Å; N126-G128 VanDerWaalsContact C-N 3.34Å; N126-G128 PolarHBondContact O-N 3.47Å; N126-R129 PolarHBondContact O-N 3.35Å; N126-Q130 PolarHBondContact ND2-NE2 2.85Å; N126-Q130 WeakPolarHBondContact O-CG 3.29Å; N126-Q130 PolarHBondContact O-N 3.4Å; N126-R155 PolarHBondContact ND2-NH2 2.93Å |
| 127 | I | 88.9 | Confident | 87.3 | Confident | 25 Ų | 25 | 80.3 Ų | 80.3 | 13% | 0.128 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 175.6 | -66 | 165 | 0 | 0 | 0 | 110.3 | H123 Q124 R129 Q130 L131 L144 V147 | H123-I127 WeakPolarHBondContact NE2-CD1 3.23Å; H123-I127 WeakPolarHBondContact O-CG1 3.3Å; H123-I127 PolarHBondContact O-N 3.25Å; Q124-I127 PolarHBondContact O-N 3.44Å; I127-R129 VanDerWaalsContact C-N 3.29Å; I127-R129 PolarHBondContact O-N 2.87Å; I127-Q130 WeakPolarHBondContact O-CB 3.48Å; I127-Q130 PolarHBondContact O-N 2.98Å; I127-Q130 VanDerWaalsContact O-N 3.09Å; I127-L131 HydrophobicContact CG2-CD1 3.79Å; I127-L131 HydrophobicContact CG2-CG 4.24Å; I127-L131 WeakPolarHBondContact O-CG 3.43Å; I127-L131 PolarHBondContact O-N 3.03Å; I127-L144 HydrophobicContact CG2-CD2 4.48Å; I127-V147 HydrophobicContact CD1-CB 4.37Å; I127-V147 HydrophobicContact CD1-CG1 3.65Å; I127-V147 HydrophobicContact CD1-CG2 3.69Å; I127-V147 HydrophobicContact CG1-CG2 3.76Å |
| 128 | G | 88.4 | Confident | 86.6 | Confident | 28 Ų | 28 | 80 Ų | 80 | 29% | 0.289 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59 | -38.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q124 N126 Q132 | Q124-G128 PolarHBondContact O-N 2.87Å; N126-G128 VanDerWaalsContact C-N 3.34Å; N126-G128 PolarHBondContact O-N 3.47Å; G128-Q132 VanDerWaalsContact O-CG 3.31Å; G128-Q132 WeakPolarHBondContact O-CG 3.21Å; G128-Q132 PolarHBondContact O-N 3.39Å |
| 129 | R | 88.3 | Confident | 85.9 | Confident | 157 Ų | 157 | 80.2 Ų | 80.2 | 59% | 0.592 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -68.4 | -38.7 | 173.6 | -83.1 | -174.8 | -81.4 | 171.4 | -8.3 | 112.8 | T125 N126 I127 Q132 G133 | T125-R129 WeakPolarHBondContact O-CG 3.42Å; T125-R129 PolarHBondContact O-N 3.33Å; T125-R129 VanDerWaalsContact O-N 3.1Å; T125-R129 PolarHBondContact O-NE 3.37Å; N126-R129 PolarHBondContact O-N 3.35Å; I127-R129 VanDerWaalsContact C-N 3.29Å; I127-R129 PolarHBondContact O-N 2.87Å; R129-Q132 PolarHBondContact O-N 3.5Å; R129-G133 PolarHBondContact O-N 2.92Å |
| 130 | Q | 86.4 | Confident | 85.3 | Confident | 80 Ų | 80 | 84.2 Ų | 84.2 | 37% | 0.374 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 175.4 | -69.8 | 174.9 | -3.5 | 0 | 0 | 110.9 | N126 I127 G133 S134 I143 | N126-Q130 PolarHBondContact ND2-NE2 2.85Å; N126-Q130 WeakPolarHBondContact O-CG 3.29Å; N126-Q130 PolarHBondContact O-N 3.4Å; I127-Q130 WeakPolarHBondContact O-CB 3.48Å; I127-Q130 PolarHBondContact O-N 2.98Å; I127-Q130 VanDerWaalsContact O-N 3.09Å; Q130-G133 PolarHBondContact O-N 3.29Å; Q130-S134 PolarHBondContact O-N 3.29Å; Q130-I143 HydrophobicContact CB-CD1 4.11Å; Q130-I143 HydrophobicContact CB-CG1 4.41Å; Q130-I143 HydrophobicContact CB-CG2 3.81Å; Q130-I143 WeakPolarHBondContact O-CD1 3.37Å |
| 131 | L | 85.4 | Confident | 84.7 | Confident | 53 Ų | 53 | 87.7 Ų | 87.7 | 28% | 0.277 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.2 | -33.5 | 177.4 | -69.1 | 172.1 | 0 | 0 | 0 | 113.5 | I127 G133 S134 E140 I143 L144 | I127-L131 HydrophobicContact CG2-CD1 3.79Å; I127-L131 HydrophobicContact CG2-CG 4.24Å; I127-L131 WeakPolarHBondContact O-CG 3.43Å; I127-L131 PolarHBondContact O-N 3.03Å; L131-G133 PolarHBondContact O-N 2.87Å; L131-S134 WeakPolarHBondContact CA-OG 3.42Å; L131-S134 PolarHBondContact O-N 2.73Å; L131-S134 PolarHBondContact O-OG 3.43Å; L131-E140 HydrophobicContact CD2-CB 3.84Å; L131-E140 HydrophobicContact CD2-CG 3.89Å; L131-I143 HydrophobicContact CD2-CB 4.42Å; L131-I143 HydrophobicContact CD2-CG2 4.22Å; L131-I143 HydrophobicContact CG-CG2 4.44Å; L131-L144 HydrophobicContact CD2-CG 4.48Å |
| 132 | Q | 85.3 | Confident | 84.2 | Confident | 168 Ų | 168 | 88.4 Ų | 88.4 | 79% | 0.785 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -69.2 | -25.4 | 173.1 | -76.4 | 176.5 | 0 | 0 | 0 | 112.7 | G128 R129 | G128-Q132 VanDerWaalsContact O-CG 3.31Å; G128-Q132 WeakPolarHBondContact O-CG 3.21Å; G128-Q132 PolarHBondContact O-N 3.39Å; R129-Q132 PolarHBondContact O-N 3.5Å |
| 133 | G | 80.2 | Confident | 83.6 | Confident | 57 Ų | 57 | 85 Ų | 85 | 59% | 0.588 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -83.3 | -19 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R129 Q130 L131 | R129-G133 PolarHBondContact O-N 2.92Å; Q130-G133 PolarHBondContact O-N 3.29Å; L131-G133 PolarHBondContact O-N 2.87Å |
| 134 | S | 77.6 | Confident | 83.1 | Confident | 17 Ų | 17 | 88.3 Ų | 88.3 | 12% | 0.119 | 45% | 0.446 | C | S | . | . | trans | -74.3 | 138.3 | 177.4 | 43.4 | 0 | 0 | 0 | 0 | 111.6 | Q130 L131 E139 E140 | Q130-S134 PolarHBondContact O-N 3.29Å; L131-S134 WeakPolarHBondContact CA-OG 3.42Å; L131-S134 PolarHBondContact O-N 2.73Å; L131-S134 PolarHBondContact O-OG 3.43Å; S134-E139 WeakPolarHBondContact CA-OE2 3.25Å; S134-E140 WeakPolarHBondContact OG-CG 3.23Å | ||
| 135 | K | 77.1 | Confident | 82.6 | Confident | 193 Ų | 193 | 87.8 Ų | 87.8 | 84% | 0.839 | 45% | 0.451 | S | S | * | . | trans | -101.7 | -12.8 | -178.5 | -64.1 | 179.4 | -177.1 | 176.9 | 0 | 112.7 | E139 | K135-E139 PolarHBondContact N-OE2 2.91Š| ||
| 136 | T | 76.4 | Confident | 82 | Confident | 82 Ų | 82 | 90 Ų | 90 | 50% | 0.503 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -140.4 | 143.6 | -171.6 | -56.8 | 0 | 0 | 0 | 0 | 110 | F138 E139 E140 | T136-F138 HydrophobicContact CG2-CB 4.26Å; T136-F138 PolarHBondContact O-N 2.79Å; T136-F138 VanDerWaalsContact O-N 3.13Å; T136-E139 WeakPolarHBondContact O-CB 3.21Å; T136-E139 PolarHBondContact O-N 3.35Å; T136-E140 PolarHBondContact O-N 2.8Å |
| 137 | G | 76.9 | Confident | 81.5 | Confident | 39 Ų | 39 | 90.7 Ų | 90.7 | 40% | 0.402 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -56.9 | -29.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E139 E140 E141 | G137-E139 VanDerWaalsContact C-N 3.34Å; G137-E139 PolarHBondContact O-N 3.5Å; G137-E140 WeakPolarHBondContact O-CB 3.39Å; G137-E140 PolarHBondContact O-N 3.33Å; G137-E141 PolarHBondContact O-N 2.86Å |
| 138 | F | 79.1 | Confident | 81.1 | Confident | 149 Ų | 149 | 92.8 Ų | 92.8 | 65% | 0.654 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.2 | -35.3 | 173.9 | -173.8 | -99.7 | 0 | 0 | 0 | 113.1 | T136 R142 | T136-F138 HydrophobicContact CG2-CB 4.26Å; T136-F138 PolarHBondContact O-N 2.79Å; T136-F138 VanDerWaalsContact O-N 3.13Å; F138-R142 WeakPolarHBondContact O-CB 3.13Å; F138-R142 PolarHBondContact O-N 3.35Å |
| 139 | E | 78.2 | Confident | 80.8 | Confident | 87 Ų | 87 | 97.1 Ų | 97.1 | 41% | 0.407 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.4 | -37.7 | 174.5 | -65.9 | 179.6 | 155.4 | 0 | 0 | 110.6 | S134 K135 T136 G137 R142 I143 | S134-E139 WeakPolarHBondContact CA-OE2 3.25Å; K135-E139 PolarHBondContact N-OE2 2.91Å; T136-E139 WeakPolarHBondContact O-CB 3.21Å; T136-E139 PolarHBondContact O-N 3.35Å; G137-E139 VanDerWaalsContact C-N 3.34Å; G137-E139 PolarHBondContact O-N 3.5Å; E139-R142 PolarHBondContact O-N 3.31Å; E139-I143 WeakPolarHBondContact O-CD1 3.48Å; E139-I143 VanDerWaalsContact O-CG1 3.22Å; E139-I143 WeakPolarHBondContact O-CG1 3.36Å; E139-I143 PolarHBondContact O-N 2.87Å |
| 140 | E | 79.9 | Confident | 80.7 | Confident | 86 Ų | 86 | 92.5 Ų | 92.5 | 40% | 0.402 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 174.6 | -65.3 | 176.5 | -174.8 | 0 | 0 | 111.6 | L131 S134 T136 G137 R142 I143 L144 | L131-E140 HydrophobicContact CD2-CB 3.84Å; L131-E140 HydrophobicContact CD2-CG 3.89Å; S134-E140 WeakPolarHBondContact OG-CG 3.23Å; T136-E140 PolarHBondContact O-N 2.8Å; G137-E140 WeakPolarHBondContact O-CB 3.39Å; G137-E140 PolarHBondContact O-N 3.33Å; E140-R142 VanDerWaalsContact C-N 3.31Å; E140-R142 PolarHBondContact O-N 2.82Å; E140-I143 PolarHBondContact O-N 3.41Å; E140-L144 WeakPolarHBondContact O-CG 3.34Å; E140-L144 PolarHBondContact O-N 3.22Å |
| 141 | E | 81.8 | Confident | 80.7 | Confident | 126 Ų | 126 | 90.9 Ų | 90.9 | 59% | 0.589 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.2 | -41.1 | 175.5 | -73.2 | -180 | -178.5 | 0 | 0 | 111.9 | G137 L144 T145 | G137-E141 PolarHBondContact O-N 2.86Å; E141-L144 PolarHBondContact O-N 3.27Å; E141-T145 WeakPolarHBondContact O-CG2 3.44Å; E141-T145 PolarHBondContact O-N 3.43Å; E141-T145 PolarHBondContact O-OG1 2.89Å |
| 142 | R | 82.3 | Confident | 80.9 | Confident | 157 Ų | 157 | 90.5 Ų | 90.5 | 59% | 0.592 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.6 | -40.4 | 176.1 | -171.5 | 179.6 | -179.9 | -167.3 | 0.4 | 112.2 | F138 E139 E140 T145 Q146 | F138-R142 WeakPolarHBondContact O-CB 3.13Å; F138-R142 PolarHBondContact O-N 3.35Å; E139-R142 PolarHBondContact O-N 3.31Å; E140-R142 VanDerWaalsContact C-N 3.31Å; E140-R142 PolarHBondContact O-N 2.82Å; R142-T145 WeakPolarHBondContact CA-OG1 3Å; R142-T145 PolarHBondContact O-OG1 3.01Å; R142-Q146 VanDerWaalsContact O-CG 3.29Å; R142-Q146 WeakPolarHBondContact O-CG 3.24Å; R142-Q146 PolarHBondContact O-N 2.88Å |
| 143 | I | 80.6 | Confident | 81.1 | Confident | 25 Ų | 25 | 87.2 Ų | 87.2 | 13% | 0.128 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -62.8 | -48.9 | 175.9 | -71.5 | 160.1 | 0 | 0 | 0 | 109.5 | Q130 L131 E139 E140 T145 Q146 V147 | Q130-I143 HydrophobicContact CB-CD1 4.11Å; Q130-I143 HydrophobicContact CB-CG1 4.41Å; Q130-I143 HydrophobicContact CB-CG2 3.81Å; Q130-I143 WeakPolarHBondContact O-CD1 3.37Å; L131-I143 HydrophobicContact CD2-CB 4.42Å; L131-I143 HydrophobicContact CD2-CG2 4.22Å; L131-I143 HydrophobicContact CG-CG2 4.44Å; E139-I143 WeakPolarHBondContact O-CD1 3.48Å; E139-I143 VanDerWaalsContact O-CG1 3.22Å; E139-I143 WeakPolarHBondContact O-CG1 3.36Å; E139-I143 PolarHBondContact O-N 2.87Å; E140-I143 PolarHBondContact O-N 3.41Å; I143-T145 VanDerWaalsContact C-N 3.33Å; I143-T145 PolarHBondContact O-N 3.47Å; I143-Q146 PolarHBondContact O-N 3.4Å; I143-Q146 VanDerWaalsContact O-N 3.11Å; I143-V147 WeakPolarHBondContact O-CG2 3.34Å; I143-V147 PolarHBondContact O-N 3.1Å |
| 144 | L | 80.6 | Confident | 81.5 | Confident | 100 Ų | 100 | 89.5 Ų | 89.5 | 52% | 0.524 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.2 | -36.2 | -178.8 | -69.6 | 173.5 | 0 | 0 | 0 | 113.1 | I127 L131 E140 E141 Q146 V147 | I127-L144 HydrophobicContact CG2-CD2 4.48Å; L131-L144 HydrophobicContact CD2-CG 4.48Å; E140-L144 WeakPolarHBondContact O-CG 3.34Å; E140-L144 PolarHBondContact O-N 3.22Å; E141-L144 PolarHBondContact O-N 3.27Å; L144-Q146 VanDerWaalsContact C-N 3.31Å; L144-Q146 PolarHBondContact O-N 3.45Å; L144-V147 WeakPolarHBondContact O-CB 3.27Å; L144-V147 PolarHBondContact O-N 3.28Å |
| 145 | T | 81.3 | Confident | 82 | Confident | 112 Ų | 112 | 91.2 Ų | 91.2 | 69% | 0.687 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -72.3 | -23.4 | 175.8 | 49.6 | 0 | 0 | 0 | 0 | 113.4 | E141 R142 I143 | E141-T145 WeakPolarHBondContact O-CG2 3.44Å; E141-T145 PolarHBondContact O-N 3.43Å; E141-T145 PolarHBondContact O-OG1 2.89Å; R142-T145 WeakPolarHBondContact CA-OG1 3Å; R142-T145 PolarHBondContact O-OG1 3.01Å; I143-T145 VanDerWaalsContact C-N 3.33Å; I143-T145 PolarHBondContact O-N 3.47Å |
| 146 | Q | 78.4 | Confident | 82.6 | Confident | 113 Ų | 113 | 83.2 Ų | 83.2 | 53% | 0.528 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -83.4 | -13.8 | 174.6 | -72.4 | 177.7 | 5.8 | 0 | 0 | 113.6 | R142 I143 L144 T148 | R142-Q146 VanDerWaalsContact O-CG 3.29Å; R142-Q146 WeakPolarHBondContact O-CG 3.24Å; R142-Q146 PolarHBondContact O-N 2.88Å; I143-Q146 PolarHBondContact O-N 3.4Å; I143-Q146 VanDerWaalsContact O-N 3.11Å; L144-Q146 VanDerWaalsContact C-N 3.31Å; L144-Q146 PolarHBondContact O-N 3.45Å; Q146-T148 PolarHBondContact O-N 3.24Å |
| 147 | V | 78.6 | Confident | 83.1 | Confident | 51 Ų | 51 | 82.7 Ų | 82.7 | 31% | 0.309 | 44% | 0.435 | S | S | . | . | trans | -65.5 | 100.7 | 174.5 | 178.9 | 0 | 0 | 0 | 0 | 109 | H123 I127 I143 L144 | H123-V147 VanDerWaalsContact CE1-CG1 3.5Å; H123-V147 WeakPolarHBondContact CE1-CG1 3.33Å; H123-V147 WeakPolarHBondContact NE2-CG1 3.2Å; I127-V147 HydrophobicContact CD1-CB 4.37Å; I127-V147 HydrophobicContact CD1-CG1 3.65Å; I127-V147 HydrophobicContact CD1-CG2 3.69Å; I127-V147 HydrophobicContact CG1-CG2 3.76Å; I143-V147 WeakPolarHBondContact O-CG2 3.34Å; I143-V147 PolarHBondContact O-N 3.1Å; L144-V147 WeakPolarHBondContact O-CB 3.27Å; L144-V147 PolarHBondContact O-N 3.28Å | ||
| 148 | T | 79.9 | Confident | 83.4 | Confident | 68 Ų | 68 | 84.9 Ų | 84.9 | 42% | 0.417 | 45% | 0.449 | S | S | . | . | trans | -105.7 | 154.1 | -178.3 | 48 | 0 | 0 | 0 | 0 | 111 | Q146 S150 D151 | Q146-T148 PolarHBondContact O-N 3.24Å; T148-S150 WeakPolarHBondContact CB-OG 3.42Å; T148-S150 PolarHBondContact O-N 3.27Å; T148-S150 PolarHBondContact OG1-OG 3.33Å; T148-D151 PolarHBondContact O-N 3.19Å | ||
| 149 | T | 82.2 | Confident | 83.2 | Confident | 120 Ų | 120 | 80.3 Ų | 80.3 | 74% | 0.736 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -59.9 | -24.5 | 173.8 | 52.8 | 0 | 0 | 0 | 0 | 112.3 | F152 L153 | T149-F152 PolarHBondContact O-N 3.18Å; T149-L153 VanDerWaalsContact O-CG 3.3Å; T149-L153 WeakPolarHBondContact O-CG 3.48Å; T149-L153 PolarHBondContact O-N 3Å; T149-L153 VanDerWaalsContact O-N 3.08Å |
| 150 | S | 87 | Confident | 83.2 | Confident | 59 Ų | 59 | 80.2 Ų | 80.2 | 41% | 0.413 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 176.7 | 45 | 0 | 0 | 0 | 0 | 113.4 | T148 F152 L153 D154 | T148-S150 WeakPolarHBondContact CB-OG 3.42Å; T148-S150 PolarHBondContact O-N 3.27Å; T148-S150 PolarHBondContact OG1-OG 3.33Å; S150-F152 VanDerWaalsContact C-N 3.26Å; S150-F152 PolarHBondContact O-N 3.35Å; S150-L153 PolarHBondContact O-N 2.72Å; S150-L153 VanDerWaalsContact O-N 3.08Å; S150-D154 PolarHBondContact O-N 3.43Å |
| 151 | D | 86.9 | Confident | 82.5 | Confident | 46 Ų | 46 | 81.2 Ų | 81.2 | 25% | 0.246 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -61.2 | -37.8 | 178 | 173.8 | 73.3 | 0 | 0 | 0 | 111.4 | H123 T148 R155 | H123-D151 IonicContact CE1-OD2 3.21Å; H123-D151 PolarHBondContact CE1-OD2 3.38Å; H123-D151 IonicContact CG-OD2 3.7Å; H123-D151 IonicContact ND1-OD2 2.68Å; H123-D151 PolarHBondContact ND1-OD2 2.86Å; T148-D151 PolarHBondContact O-N 3.19Å; D151-R155 VanDerWaalsContact O-CG 3.29Å; D151-R155 WeakPolarHBondContact O-CG 3.44Å; D151-R155 PolarHBondContact O-N 2.88Å; D151-R155 IonicContact OD1-CZ 2.67Å; D151-R155 IonicContact OD1-NE 2.87Å; D151-R155 PolarHBondContact OD1-NE 3.43Å; D151-R155 IonicContact OD1-NH2 2.91Å; D151-R155 PolarHBondContact OD1-NH2 2.99Å; D151-R155 IonicContact OD2-CZ 3.21Å; D151-R155 IonicContact OD2-NE 3.54Å; D151-R155 PolarHBondContact OD2-NE 2.98Å; D151-R155 IonicContact OD2-NH2 2.69Å; D151-R155 PolarHBondContact OD2-NH2 3.22Å |
| 152 | F | 88 | Confident | 81.3 | Confident | 46 Ų | 46 | 78.4 Ų | 78.4 | 20% | 0.202 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -65 | -45.4 | 173.5 | 173.4 | -100 | 0 | 0 | 0 | 112.1 | L116 A119 V120 H123 T149 S150 D154 R155 L156 | L116-F152 HydrophobicContact CD2-CZ 4.22Å; A119-F152 HydrophobicContact CB-CD2 4.35Å; A119-F152 HydrophobicContact CB-CE2 3.75Å; A119-F152 HydrophobicContact CB-CZ 4.32Å; V120-F152 HydrophobicContact CB-CE2 4.44Å; V120-F152 HydrophobicContact CG2-CE2 3.57Å; V120-F152 HydrophobicContact CG2-CZ 4.14Å; H123-F152 HydrophobicContact CB-CD2 4.42Å; T149-F152 PolarHBondContact O-N 3.18Å; S150-F152 VanDerWaalsContact C-N 3.26Å; S150-F152 PolarHBondContact O-N 3.35Å; F152-D154 PolarHBondContact O-N 3.07Å; F152-R155 PolarHBondContact O-N 3.1Å; F152-L156 HydrophobicContact CE1-CD2 4.02Å; F152-L156 HydrophobicContact CZ-CD2 4.32Å; F152-L156 WeakPolarHBondContact O-CB 3.29Å; F152-L156 PolarHBondContact O-N 3.22Å |
| 153 | L | 90.4 | Very high | 79.9 | Confident | 99 Ų | 99 | 76.1 Ų | 76.1 | 52% | 0.518 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 179.6 | -70.8 | 173.9 | 0 | 0 | 0 | 112.2 | T149 S150 L156 S157 | T149-L153 VanDerWaalsContact O-CG 3.3Å; T149-L153 WeakPolarHBondContact O-CG 3.48Å; T149-L153 PolarHBondContact O-N 3Å; T149-L153 VanDerWaalsContact O-N 3.08Å; S150-L153 PolarHBondContact O-N 2.72Å; S150-L153 VanDerWaalsContact O-N 3.08Å; L153-L156 PolarHBondContact O-N 3.05Å; L153-S157 WeakPolarHBondContact O-CB 3.46Å; L153-S157 PolarHBondContact O-N 2.94Å; L153-S157 PolarHBondContact O-OG 3.33Å |
| 154 | D | 89.3 | Confident | 78.6 | Confident | 104 Ų | 104 | 83.7 Ų | 83.7 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.7 | -46.6 | 175.8 | -71.8 | -19.5 | 0 | 0 | 0 | 110.8 | S150 F152 L156 S157 A158 | S150-D154 PolarHBondContact O-N 3.43Å; F152-D154 PolarHBondContact O-N 3.07Å; D154-L156 VanDerWaalsContact C-N 3.34Å; D154-L156 PolarHBondContact O-N 3.41Å; D154-S157 PolarHBondContact O-N 2.93Å; D154-S157 PolarHBondContact O-OG 3.34Å; D154-A158 PolarHBondContact O-N 2.89Å |
| 155 | R | 87.2 | Confident | 77.1 | Confident | 53 Ų | 53 | 87.1 Ų | 87.1 | 20% | 0.2 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 174.9 | -67.2 | 169.2 | -166.8 | -75.7 | -14.1 | 112.5 | A119 N126 D151 F152 A158 G159 | A119-R155 HydrophobicContact CB-CB 4.34Å; N126-R155 PolarHBondContact ND2-NH2 2.93Å; D151-R155 VanDerWaalsContact O-CG 3.29Å; D151-R155 WeakPolarHBondContact O-CG 3.44Å; D151-R155 PolarHBondContact O-N 2.88Å; D151-R155 IonicContact OD1-CZ 2.67Å; D151-R155 IonicContact OD1-NE 2.87Å; D151-R155 PolarHBondContact OD1-NE 3.43Å; D151-R155 IonicContact OD1-NH2 2.91Å; D151-R155 PolarHBondContact OD1-NH2 2.99Å; D151-R155 IonicContact OD2-CZ 3.21Å; D151-R155 IonicContact OD2-NE 3.54Å; D151-R155 PolarHBondContact OD2-NE 2.98Å; D151-R155 IonicContact OD2-NH2 2.69Å; D151-R155 PolarHBondContact OD2-NH2 3.22Å; F152-R155 PolarHBondContact O-N 3.1Å; R155-A158 PolarHBondContact O-N 3.3Å; R155-G159 PolarHBondContact O-N 3.26Å |
| 156 | L | 90.2 | Very high | 75.5 | Confident | 25 Ų | 25 | 86.3 Ų | 86.3 | 13% | 0.131 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 177.6 | -175.9 | 61.8 | 0 | 0 | 0 | 110.9 | A115 L116 A119 F152 L153 D154 A158 G159 I160 | A115-L156 HydrophobicContact CB-CD1 4.2Å; L116-L156 HydrophobicContact CD2-CD1 3.78Å; L116-L156 HydrophobicContact CD2-CD2 3.82Å; L116-L156 HydrophobicContact CD2-CG 4.48Å; L116-L156 HydrophobicContact CG-CD1 4.15Å; A119-L156 HydrophobicContact CB-CB 4.05Å; A119-L156 HydrophobicContact CB-CD1 4.01Å; F152-L156 HydrophobicContact CE1-CD2 4.02Å; F152-L156 HydrophobicContact CZ-CD2 4.32Å; F152-L156 WeakPolarHBondContact O-CB 3.29Å; F152-L156 PolarHBondContact O-N 3.22Å; L153-L156 PolarHBondContact O-N 3.05Å; D154-L156 VanDerWaalsContact C-N 3.34Å; D154-L156 PolarHBondContact O-N 3.41Å; L156-A158 VanDerWaalsContact C-N 3.35Å; L156-A158 PolarHBondContact O-N 3.03Å; L156-G159 PolarHBondContact O-N 3Å; L156-I160 HydrophobicContact CD1-CD1 3.97Å; L156-I160 HydrophobicContact CD1-CG1 4.47Å; L156-I160 HydrophobicContact CG-CD1 3.87Å; L156-I160 WeakPolarHBondContact O-CG1 3.21Å; L156-I160 PolarHBondContact O-N 3.27Å |
| 157 | S | 87.3 | Confident | 73.9 | Confident | 72 Ų | 72 | 90 Ų | 90 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.9 | -34.7 | 177.5 | 77.9 | 0 | 0 | 0 | 0 | 112.8 | L153 D154 G159 I160 | L153-S157 WeakPolarHBondContact O-CB 3.46Å; L153-S157 PolarHBondContact O-N 2.94Å; L153-S157 PolarHBondContact O-OG 3.33Å; D154-S157 PolarHBondContact O-N 2.93Å; D154-S157 PolarHBondContact O-OG 3.34Å; S157-G159 VanDerWaalsContact C-N 3.32Å; S157-G159 PolarHBondContact O-N 3.35Å; S157-I160 CarbonylContact O-C 3.5Å; S157-I160 PolarHBondContact O-N 3.17Å |
| 158 | A | 81.9 | Confident | 72.3 | Confident | 84 Ų | 84 | 94.7 Ų | 94.7 | 69% | 0.694 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.7 | -32.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | D154 R155 L156 | D154-A158 PolarHBondContact O-N 2.89Å; R155-A158 PolarHBondContact O-N 3.3Å; L156-A158 VanDerWaalsContact C-N 3.35Å; L156-A158 PolarHBondContact O-N 3.03Å |
| 159 | G | 76.1 | Confident | 70.3 | Confident | 54 Ų | 54 | 103.1 Ų | 103.1 | 56% | 0.557 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -78.9 | -31.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R155 L156 S157 S161 | R155-G159 PolarHBondContact O-N 3.26Å; L156-G159 PolarHBondContact O-N 3Å; S157-G159 VanDerWaalsContact C-N 3.32Å; S157-G159 PolarHBondContact O-N 3.35Å; G159-S161 PolarHBondContact O-N 3.35Å |
| 160 | I | 78.3 | Confident | 69.7 | Low | 85 Ų | 85 | 102.3 Ų | 102.3 | 44% | 0.436 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -89.2 | 88.7 | 173.1 | -55 | 165.1 | 0 | 0 | 0 | 105.8 | A115 L156 S157 A162 | A115-I160 HydrophobicContact CB-CD1 4.48Å; A115-I160 HydrophobicContact CB-CG1 3.72Å; L156-I160 HydrophobicContact CD1-CD1 3.97Å; L156-I160 HydrophobicContact CD1-CG1 4.47Å; L156-I160 HydrophobicContact CG-CD1 3.87Å; L156-I160 WeakPolarHBondContact O-CG1 3.21Å; L156-I160 PolarHBondContact O-N 3.27Å; S157-I160 CarbonylContact O-C 3.5Å; S157-I160 PolarHBondContact O-N 3.17Å; I160-A162 VanDerWaalsContact C-N 3.33Å; I160-A162 PolarHBondContact O-N 3.39Å |
| 161 | S | 64.1 | Low | 68.8 | Low | 107 Ų | 107 | 104.5 Ų | 104.5 | 75% | 0.748 | 59% | 0.594 | S | S | * | * | trans | -44.7 | 105.2 | 170.9 | 176 | 0 | 0 | 0 | 0 | 107.6 | G159 | G159-S161 PolarHBondContact O-N 3.35Š| ||
| 162 | A | 56.7 | Low | 67.8 | Low | 67 Ų | 67 | 107.8 Ų | 107.8 | 55% | 0.554 | 61% | 0.614 | S | S | * | * | trans | -54.1 | 135.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 105.4 | I160 K164 | I160-A162 VanDerWaalsContact C-N 3.33Å; I160-A162 PolarHBondContact O-N 3.39Å; A162-K164 VanDerWaalsContact C-N 3.33Å; A162-K164 PolarHBondContact O-N 3.47Å | ||
| 163 | P | 54.3 | Low | 66.6 | Low | 108 Ų | 108 | 111.4 Ų | 111.4 | 70% | 0.701 | 64% | 0.638 | S | S | * | * | trans | -50.7 | 116 | 165.1 | 24.1 | -30.4 | 0 | 0 | 0 | 103.6 | L165 | P163-L165 PolarHBondContact O-N 3.36Š| ||
| 164 | K | 51.5 | Low | 65.1 | Low | 184 Ų | 184 | 112.2 Ų | 112.2 | 80% | 0.8 | 65% | 0.645 | S | S | * | * | trans | -50 | 107 | 176.2 | -68.8 | 179.4 | 179 | 178.9 | 0 | 103.1 | A162 S166 | A162-K164 VanDerWaalsContact C-N 3.33Å; A162-K164 PolarHBondContact O-N 3.47Å; K164-S166 PolarHBondContact O-N 3.06Å; K164-S166 PolarHBondContact O-OG 2.85Å | ||
| 165 | L | 50.5 | Low | 63.5 | Low | 172 Ų | 172 | 112.7 Ų | 112.7 | 90% | 0.901 | 65% | 0.651 | S | S | * | * | trans | -67.1 | 67.9 | 157.6 | -84.4 | 142.4 | 0 | 0 | 0 | 102.8 | P163 K167 | P163-L165 PolarHBondContact O-N 3.36Å; L165-K167 PolarHBondContact O-N 2.86Å | ||
| 166 | S | 47.3 | Very low | 61.8 | Low | 96 Ų | 96 | 117 Ų | 117 | 67% | 0.671 | 68% | 0.684 | S | S | * | * | trans | -67.5 | 90.4 | 167.9 | 50.2 | 0 | 0 | 0 | 0 | 103.1 | K164 T168 | K164-S166 PolarHBondContact O-N 3.06Å; K164-S166 PolarHBondContact O-OG 2.85Å; S166-T168 PolarHBondContact O-N 3.05Å; S166-T168 VanDerWaalsContact O-N 3.17Å | ||
| 167 | K | 44.2 | Very low | 59.7 | Low | 191 Ų | 191 | 124.1 Ų | 124.1 | 83% | 0.83 | 73% | 0.726 | S | S | * | * | trans | 16.6 | 93.7 | 143.9 | -69.5 | 174.3 | 176.9 | 177.9 | 0 | 111.4 | L165 H169 | L165-K167 PolarHBondContact O-N 2.86Å; K167-H169 VanDerWaalsContact C-N 3.32Å; K167-H169 PolarHBondContact O-N 3.02Å; K167-H169 VanDerWaalsContact O-N 3.08Å | ||
| 168 | T | 45.4 | Very low | 57.4 | Low | 149 Ų | 149 | 128.4 Ų | 128.4 | 91% | 0.914 | 75% | 0.745 | S | S | * | * | trans | -50.7 | 106.4 | 143.3 | 43.2 | 0 | 0 | 0 | 0 | 106.6 | S166 | S166-T168 PolarHBondContact O-N 3.05Å; S166-T168 VanDerWaalsContact O-N 3.17Å | ||
| 169 | H | 38.2 | Very low | 55.1 | Low | 244 Ų | 244 | 132.5 Ų | 132.5 | 100% | 1.13 | 75% | 0.749 | S | S | * | * | trans | -137.5 | 0 | 162.5 | -155.5 | -50.5 | 0 | 0 | 0 | 107.8 | K167 | K167-H169 VanDerWaalsContact C-N 3.32Å; K167-H169 PolarHBondContact O-N 3.02Å; K167-H169 VanDerWaalsContact O-N 3.08Å |
Retrieved 169 of 169 residues in 33.5 ms
(Link to these results)