| 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 | 50 | Low | 50.1 | Low | 206 Ų | 206 | 123.9 Ų | 123.9 | 100% | 1.015 | 62% | 0.615 | S | S | * | * | 0 | -31.1 | 0 | -143 | 161 | 89.9 | 0 | 0 | 113.1 | I3 V4 | M1-I3 PolarHBondContact O-N 3.37Å; M1-V4 PolarHBondContact O-N 3.33Å | |||
| 2 | L | 40.7 | Very low | 51 | Low | 115 Ų | 115 | 120.4 Ų | 120.4 | 60% | 0.602 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -60.7 | -36.7 | 178.9 | -93.2 | 142.5 | 0 | 0 | 0 | 116.2 | V4 L5 F6 E103 | L2-V4 VanDerWaalsContact C-N 3.31Å; L2-V4 PolarHBondContact O-N 3.43Å; L2-L5 WeakPolarHBondContact O-CB 3.34Å; L2-L5 PolarHBondContact O-N 3.42Å; L2-L5 VanDerWaalsContact O-N 3.16Å; L2-F6 PolarHBondContact O-N 3.33Å; L2-E103 WeakPolarHBondContact CD1-OE1 3.42Å |
| 3 | I | 49.2 | Very low | 51.6 | Low | 139 Ų | 139 | 118.8 Ų | 118.8 | 71% | 0.713 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.1 | -37.9 | -179.9 | -61.8 | 169.4 | 0 | 0 | 0 | 111.4 | M1 L5 F6 V7 | M1-I3 PolarHBondContact O-N 3.37Å; I3-L5 VanDerWaalsContact C-N 3.34Å; I3-F6 PolarHBondContact O-N 2.9Å; I3-V7 HydrophobicContact CG2-CG2 4.49Å; I3-V7 WeakPolarHBondContact O-CG2 3.15Å; I3-V7 PolarHBondContact O-N 2.93Å |
| 4 | V | 44.3 | Very low | 51.8 | Low | 105 Ų | 105 | 119.9 Ų | 119.9 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.1 | -38.6 | 177.2 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | M1 L2 K8 | M1-V4 PolarHBondContact O-N 3.33Å; L2-V4 VanDerWaalsContact C-N 3.31Å; L2-V4 PolarHBondContact O-N 3.43Å; V4-K8 WeakPolarHBondContact O-CB 3.22Å; V4-K8 PolarHBondContact O-N 3.14Å |
| 5 | L | 49.4 | Very low | 52.2 | Low | 109 Ų | 109 | 123.9 Ų | 123.9 | 57% | 0.571 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.1 | -46.1 | 174.4 | -93.5 | 152.7 | 0 | 0 | 0 | 111.1 | L2 I3 K8 T9 | L2-L5 WeakPolarHBondContact O-CB 3.34Å; L2-L5 PolarHBondContact O-N 3.42Å; L2-L5 VanDerWaalsContact O-N 3.16Å; I3-L5 VanDerWaalsContact C-N 3.34Å; L5-K8 WeakPolarHBondContact O-CB 3.39Å; L5-K8 PolarHBondContact O-N 3.21Å; L5-T9 PolarHBondContact O-N 3.36Å; L5-T9 PolarHBondContact O-OG1 3.04Å |
| 6 | F | 49.6 | Very low | 52.7 | Low | 140 Ų | 140 | 121.9 Ų | 121.9 | 61% | 0.614 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.9 | -38.6 | -178.6 | -151 | -91.9 | 0 | 0 | 0 | 113.3 | L2 I3 K8 T9 R10 | L2-F6 PolarHBondContact O-N 3.33Å; I3-F6 PolarHBondContact O-N 2.9Å; F6-K8 VanDerWaalsContact C-N 3.35Å; F6-T9 WeakPolarHBondContact CA-OG1 3.37Å; F6-T9 PolarHBondContact O-N 3.28Å; F6-T9 PolarHBondContact O-OG1 2.91Å; F6-R10 HydrophobicContact CE1-CG 4.43Å; F6-R10 PolarHBondContact O-N 3.44Å |
| 7 | V | 51.1 | Low | 52.9 | Low | 79 Ų | 79 | 120.1 Ų | 120.1 | 48% | 0.479 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.5 | -40.9 | 172.8 | 173.6 | 0 | 0 | 0 | 0 | 110.3 | I3 R10 I11 | I3-V7 HydrophobicContact CG2-CG2 4.49Å; I3-V7 WeakPolarHBondContact O-CG2 3.15Å; I3-V7 PolarHBondContact O-N 2.93Å; V7-R10 PolarHBondContact O-N 3.31Å; V7-I11 HydrophobicContact CG1-CD1 3.78Å; V7-I11 WeakPolarHBondContact O-CD1 3.38Å; V7-I11 VanDerWaalsContact O-CG1 3.24Å; V7-I11 WeakPolarHBondContact O-CG1 3.21Å; V7-I11 PolarHBondContact O-N 2.96Å |
| 8 | K | 51.4 | Low | 53.1 | Low | 146 Ų | 146 | 121.5 Ų | 121.5 | 64% | 0.635 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -60.6 | -49.7 | 174.5 | -122.6 | 175.6 | 178.8 | 178.6 | 0 | 110.9 | V4 L5 F6 R10 I11 T12 | V4-K8 WeakPolarHBondContact O-CB 3.22Å; V4-K8 PolarHBondContact O-N 3.14Å; L5-K8 WeakPolarHBondContact O-CB 3.39Å; L5-K8 PolarHBondContact O-N 3.21Å; F6-K8 VanDerWaalsContact C-N 3.35Å; K8-R10 PolarHBondContact O-N 3.42Å; K8-I11 PolarHBondContact O-N 3.47Å; K8-T12 PolarHBondContact O-N 3.46Å; K8-T12 PolarHBondContact O-OG1 2.91Å |
| 9 | T | 56.4 | Low | 53.4 | Low | 72 Ų | 72 | 122.5 Ų | 122.5 | 44% | 0.442 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.7 | -41.5 | 179.5 | 14.4 | 0 | 0 | 0 | 0 | 112.6 | L5 F6 I11 T12 I13 | L5-T9 PolarHBondContact O-N 3.36Å; L5-T9 PolarHBondContact O-OG1 3.04Å; F6-T9 WeakPolarHBondContact CA-OG1 3.37Å; F6-T9 PolarHBondContact O-N 3.28Å; F6-T9 PolarHBondContact O-OG1 2.91Å; T9-I11 VanDerWaalsContact C-N 3.32Å; T9-I11 PolarHBondContact O-N 3.28Å; T9-T12 PolarHBondContact O-N 3.13Å; T9-I13 WeakPolarHBondContact O-CB 3.09Å; T9-I13 VanDerWaalsContact O-CG1 3.25Å; T9-I13 WeakPolarHBondContact O-CG1 3.34Å; T9-I13 PolarHBondContact O-N 3.47Å |
| 10 | R | 47.5 | Very low | 53.2 | Low | 171 Ų | 171 | 122.1 Ų | 122.1 | 65% | 0.645 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60 | -41.7 | 174.7 | -92.8 | -133.9 | -173.5 | -158.1 | 5.9 | 112.5 | F6 V7 K8 H14 | F6-R10 HydrophobicContact CE1-CG 4.43Å; F6-R10 PolarHBondContact O-N 3.44Å; V7-R10 PolarHBondContact O-N 3.31Å; K8-R10 PolarHBondContact O-N 3.42Å; R10-H14 VanDerWaalsContact O-CB 3.3Å; R10-H14 WeakPolarHBondContact O-CB 3.33Å; R10-H14 PolarHBondContact O-N 2.58Å |
| 11 | I | 60.9 | Low | 53.3 | Low | 81 Ų | 81 | 120.6 Ų | 120.6 | 42% | 0.415 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67 | -41.1 | 178.2 | -67 | 166.2 | 0 | 0 | 0 | 110.5 | V7 K8 T9 H14 R15 | V7-I11 HydrophobicContact CG1-CD1 3.78Å; V7-I11 WeakPolarHBondContact O-CD1 3.38Å; V7-I11 VanDerWaalsContact O-CG1 3.24Å; V7-I11 WeakPolarHBondContact O-CG1 3.21Å; V7-I11 PolarHBondContact O-N 2.96Å; K8-I11 PolarHBondContact O-N 3.47Å; T9-I11 VanDerWaalsContact C-N 3.32Å; T9-I11 PolarHBondContact O-N 3.28Å; I11-H14 PolarHBondContact O-N 3.5Å; I11-R15 WeakPolarHBondContact O-CG 3.41Å; I11-R15 PolarHBondContact O-N 3.2Å |
| 12 | T | 61.5 | Low | 53.6 | Low | 82 Ų | 82 | 113.9 Ų | 113.9 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.2 | -46.8 | 178.6 | -38.1 | 0 | 0 | 0 | 0 | 111.4 | K8 T9 H14 R15 E16 | K8-T12 PolarHBondContact O-N 3.46Å; K8-T12 PolarHBondContact O-OG1 2.91Å; T9-T12 PolarHBondContact O-N 3.13Å; T12-H14 VanDerWaalsContact C-N 3.33Å; T12-H14 PolarHBondContact O-N 3.2Å; T12-R15 PolarHBondContact O-N 2.81Å; T12-E16 PolarHBondContact O-N 2.79Å |
| 13 | I | 58.7 | Low | 54.4 | Low | 99 Ų | 99 | 113.3 Ų | 113.3 | 51% | 0.508 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 178.5 | -66 | 167.7 | 0 | 0 | 0 | 110.5 | T9 R15 E16 I17 | T9-I13 WeakPolarHBondContact O-CB 3.09Å; T9-I13 VanDerWaalsContact O-CG1 3.25Å; T9-I13 WeakPolarHBondContact O-CG1 3.34Å; T9-I13 PolarHBondContact O-N 3.47Å; I13-R15 VanDerWaalsContact C-N 3.32Å; I13-R15 PolarHBondContact O-N 2.91Å; I13-E16 PolarHBondContact O-N 3.33Å; I13-I17 HydrophobicContact CG2-CD1 3.69Å; I13-I17 HydrophobicContact CG2-CG1 4.31Å; I13-I17 WeakPolarHBondContact O-CG1 3.42Å; I13-I17 PolarHBondContact O-N 3.34Å |
| 14 | H | 54.1 | Low | 54.6 | Low | 134 Ų | 134 | 111.1 Ų | 111.1 | 62% | 0.62 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.5 | -36.9 | 178.8 | -165 | 1.2 | 0 | 0 | 0 | 112.2 | R10 I11 T12 K18 | R10-H14 VanDerWaalsContact O-CB 3.3Å; R10-H14 WeakPolarHBondContact O-CB 3.33Å; R10-H14 PolarHBondContact O-N 2.58Å; I11-H14 PolarHBondContact O-N 3.5Å; T12-H14 VanDerWaalsContact C-N 3.33Å; T12-H14 PolarHBondContact O-N 3.2Å; H14-K18 VanDerWaalsContact O-CB 3.31Å; H14-K18 WeakPolarHBondContact O-CB 3.2Å; H14-K18 PolarHBondContact O-N 2.88Å |
| 15 | R | 58.5 | Low | 54.9 | Low | 181 Ų | 181 | 108.7 Ų | 108.7 | 68% | 0.683 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.3 | -41.4 | 174.1 | -76.7 | 178.7 | -178.1 | 177.5 | 0.9 | 111.9 | I11 T12 I13 K18 R19 | I11-R15 WeakPolarHBondContact O-CG 3.41Å; I11-R15 PolarHBondContact O-N 3.2Å; T12-R15 PolarHBondContact O-N 2.81Å; I13-R15 VanDerWaalsContact C-N 3.32Å; I13-R15 PolarHBondContact O-N 2.91Å; R15-K18 PolarHBondContact O-N 3.18Å; R15-R19 WeakPolarHBondContact O-CB 3.43Å; R15-R19 PolarHBondContact O-N 2.98Å |
| 16 | E | 60.6 | Low | 55 | Low | 91 Ų | 91 | 108.3 Ų | 108.3 | 43% | 0.425 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.8 | -41.9 | -179.1 | -153.2 | 61.5 | -153.7 | 0 | 0 | 112 | T12 I13 K18 R19 Q20 | T12-E16 PolarHBondContact O-N 2.79Å; I13-E16 PolarHBondContact O-N 3.33Å; E16-K18 VanDerWaalsContact C-N 3.34Å; E16-K18 PolarHBondContact O-N 3.16Å; E16-R19 WeakPolarHBondContact O-CB 3Å; E16-R19 PolarHBondContact O-N 3.36Å; E16-Q20 WeakPolarHBondContact O-CG 3.46Å; E16-Q20 PolarHBondContact O-N 3.45Å |
| 17 | I | 55.4 | Low | 55 | Low | 91 Ų | 91 | 103.2 Ų | 103.2 | 47% | 0.467 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 174.2 | -66.3 | 170.1 | 0 | 0 | 0 | 110.4 | I13 R19 Q20 V21 | I13-I17 HydrophobicContact CG2-CD1 3.69Å; I13-I17 HydrophobicContact CG2-CG1 4.31Å; I13-I17 WeakPolarHBondContact O-CG1 3.42Å; I13-I17 PolarHBondContact O-N 3.34Å; I17-R19 VanDerWaalsContact C-N 3.28Å; I17-R19 PolarHBondContact O-N 3Å; I17-Q20 PolarHBondContact O-N 3.48Å; I17-V21 HydrophobicContact CG2-CG2 4.33Å; I17-V21 WeakPolarHBondContact O-CB 3.2Å; I17-V21 VanDerWaalsContact O-CG2 3.27Å; I17-V21 WeakPolarHBondContact O-CG2 3.08Å; I17-V21 PolarHBondContact O-N 2.98Å |
| 18 | K | 57 | Low | 54.7 | Low | 146 Ų | 146 | 103.6 Ų | 103.6 | 64% | 0.635 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.2 | -41.2 | 176.6 | -168.9 | 175.5 | -177.6 | -179.4 | 0 | 110.8 | H14 R15 E16 V21 T22 | H14-K18 VanDerWaalsContact O-CB 3.31Å; H14-K18 WeakPolarHBondContact O-CB 3.2Å; H14-K18 PolarHBondContact O-N 2.88Å; R15-K18 PolarHBondContact O-N 3.18Å; E16-K18 VanDerWaalsContact C-N 3.34Å; E16-K18 PolarHBondContact O-N 3.16Å; K18-V21 PolarHBondContact O-N 3.45Å; K18-T22 PolarHBondContact O-N 2.99Å; K18-T22 PolarHBondContact O-OG1 3.29Å |
| 19 | R | 58.4 | Low | 54.6 | Low | 141 Ų | 141 | 101.5 Ų | 101.5 | 53% | 0.532 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.7 | -48.4 | 176.9 | -171 | -179.5 | 175.6 | 164.7 | 3.3 | 112 | R15 E16 I17 V21 T22 E23 | R15-R19 WeakPolarHBondContact O-CB 3.43Å; R15-R19 PolarHBondContact O-N 2.98Å; E16-R19 WeakPolarHBondContact O-CB 3Å; E16-R19 PolarHBondContact O-N 3.36Å; I17-R19 VanDerWaalsContact C-N 3.28Å; I17-R19 PolarHBondContact O-N 3Å; R19-V21 VanDerWaalsContact C-N 3.34Å; R19-V21 PolarHBondContact O-N 2.89Å; R19-T22 VanDerWaalsContact CA-OG1 3.3Å; R19-T22 WeakPolarHBondContact CA-OG1 3.47Å; R19-T22 PolarHBondContact O-N 2.97Å; R19-T22 PolarHBondContact O-OG1 3.48Å; R19-E23 IonicContact CZ-OE1 3.83Å; R19-E23 IonicContact NE-OE1 2.99Å; R19-E23 PolarHBondContact NE-OE1 3.4Å; R19-E23 IonicContact NH2-OE1 3.8Å; R19-E23 PolarHBondContact O-N 2.8Å |
| 20 | Q | 50.1 | Low | 54.2 | Low | 114 Ų | 114 | 103.4 Ų | 103.4 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 178.2 | -71.9 | -176.2 | 1.9 | 0 | 0 | 112.1 | E16 I17 E23 V24 | E16-Q20 WeakPolarHBondContact O-CG 3.46Å; E16-Q20 PolarHBondContact O-N 3.45Å; I17-Q20 PolarHBondContact O-N 3.48Å; Q20-E23 PolarHBondContact O-N 3.29Å; Q20-V24 WeakPolarHBondContact O-CB 3.24Å; Q20-V24 VanDerWaalsContact O-CG2 3.26Å; Q20-V24 WeakPolarHBondContact O-CG2 3.46Å; Q20-V24 PolarHBondContact O-N 3.18Å |
| 21 | V | 55.4 | Low | 54.1 | Low | 91 Ų | 91 | 100.1 Ų | 100.1 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.6 | -39.5 | 175.1 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | I17 K18 R19 S25 | I17-V21 HydrophobicContact CG2-CG2 4.33Å; I17-V21 WeakPolarHBondContact O-CB 3.2Å; I17-V21 VanDerWaalsContact O-CG2 3.27Å; I17-V21 WeakPolarHBondContact O-CG2 3.08Å; I17-V21 PolarHBondContact O-N 2.98Å; K18-V21 PolarHBondContact O-N 3.45Å; R19-V21 VanDerWaalsContact C-N 3.34Å; R19-V21 PolarHBondContact O-N 2.89Å; V21-S25 WeakPolarHBondContact O-CB 3.42Å; V21-S25 PolarHBondContact O-N 3.39Å; V21-S25 PolarHBondContact O-OG 3.48Å |
| 22 | T | 56.3 | Low | 53 | Low | 65 Ų | 65 | 104.4 Ų | 104.4 | 40% | 0.399 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 173.2 | 33.4 | 0 | 0 | 0 | 0 | 113 | K18 R19 S25 I26 | K18-T22 PolarHBondContact O-N 2.99Å; K18-T22 PolarHBondContact O-OG1 3.29Å; R19-T22 VanDerWaalsContact CA-OG1 3.3Å; R19-T22 WeakPolarHBondContact CA-OG1 3.47Å; R19-T22 PolarHBondContact O-N 2.97Å; R19-T22 PolarHBondContact O-OG1 3.48Å; T22-S25 VanDerWaalsContact CA-OG 3.26Å; T22-S25 WeakPolarHBondContact CA-OG 3.31Å; T22-S25 PolarHBondContact O-N 3.15Å; T22-S25 PolarHBondContact O-OG 3.3Å; T22-S25 VanDerWaalsContact O-OG 3.11Å; T22-I26 WeakPolarHBondContact O-CB 3.41Å; T22-I26 WeakPolarHBondContact O-CD1 3.25Å; T22-I26 WeakPolarHBondContact O-CG1 3.41Å; T22-I26 PolarHBondContact O-N 3.38Å |
| 23 | E | 55.9 | Low | 52 | Low | 103 Ų | 103 | 104 Ų | 104 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.2 | -39.5 | 177.9 | -74.7 | 172.9 | -170.7 | 0 | 0 | 111.7 | R19 Q20 I26 G27 | R19-E23 IonicContact CZ-OE1 3.83Å; R19-E23 IonicContact NE-OE1 2.99Å; R19-E23 PolarHBondContact NE-OE1 3.4Å; R19-E23 IonicContact NH2-OE1 3.8Å; R19-E23 PolarHBondContact O-N 2.8Å; Q20-E23 PolarHBondContact O-N 3.29Å; E23-I26 PolarHBondContact O-N 3.14Å; E23-G27 PolarHBondContact O-N 2.91Å |
| 24 | V | 53.9 | Low | 51.2 | Low | 93 Ų | 93 | 104.3 Ų | 104.3 | 56% | 0.564 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.3 | -38.1 | 174.7 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | Q20 G27 L28 | Q20-V24 WeakPolarHBondContact O-CB 3.24Å; Q20-V24 VanDerWaalsContact O-CG2 3.26Å; Q20-V24 WeakPolarHBondContact O-CG2 3.46Å; Q20-V24 PolarHBondContact O-N 3.18Å; V24-G27 PolarHBondContact O-N 3.45Å; V24-L28 HydrophobicContact CG1-CD1 4.03Å; V24-L28 WeakPolarHBondContact O-CB 3.39Å; V24-L28 PolarHBondContact O-N 3.42Å |
| 25 | S | 50.4 | Low | 50.6 | Low | 53 Ų | 53 | 104.7 Ų | 104.7 | 37% | 0.371 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -72.8 | -33.9 | 176.9 | 46.2 | 0 | 0 | 0 | 0 | 112.8 | V21 T22 L28 V29 | V21-S25 WeakPolarHBondContact O-CB 3.42Å; V21-S25 PolarHBondContact O-N 3.39Å; V21-S25 PolarHBondContact O-OG 3.48Å; T22-S25 VanDerWaalsContact CA-OG 3.26Å; T22-S25 WeakPolarHBondContact CA-OG 3.31Å; T22-S25 PolarHBondContact O-N 3.15Å; T22-S25 PolarHBondContact O-OG 3.3Å; T22-S25 VanDerWaalsContact O-OG 3.11Å; S25-L28 PolarHBondContact O-N 3.47Å; S25-V29 VanDerWaalsContact O-CB 3.32Å; S25-V29 WeakPolarHBondContact O-CB 3.26Å; S25-V29 WeakPolarHBondContact O-CG2 3.42Å; S25-V29 PolarHBondContact O-N 2.96Å |
| 26 | I | 52.7 | Low | 49.2 | Very low | 101 Ų | 101 | 102.7 Ų | 102.7 | 52% | 0.518 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.2 | -39.6 | 169.9 | -66.1 | 161.6 | 0 | 0 | 0 | 110.5 | T22 E23 V29 N30 | T22-I26 WeakPolarHBondContact O-CB 3.41Å; T22-I26 WeakPolarHBondContact O-CD1 3.25Å; T22-I26 WeakPolarHBondContact O-CG1 3.41Å; T22-I26 PolarHBondContact O-N 3.38Å; E23-I26 PolarHBondContact O-N 3.14Å; I26-V29 PolarHBondContact O-N 2.79Å; I26-N30 WeakPolarHBondContact O-CB 3.42Å; I26-N30 PolarHBondContact O-N 3.21Å |
| 27 | G | 48.6 | Very low | 48.2 | Very low | 33 Ų | 33 | 106.3 Ų | 106.3 | 34% | 0.34 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.8 | -44.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | E23 V24 N30 I31 | E23-G27 PolarHBondContact O-N 2.91Å; V24-G27 PolarHBondContact O-N 3.45Å; G27-N30 PolarHBondContact O-N 2.95Å; G27-I31 VanDerWaalsContact O-CD1 3.26Å; G27-I31 WeakPolarHBondContact O-CD1 3.5Å; G27-I31 WeakPolarHBondContact O-CG1 3.26Å; G27-I31 PolarHBondContact O-N 2.9Å |
| 28 | L | 45.1 | Very low | 47 | Very low | 87 Ų | 87 | 107 Ų | 107 | 46% | 0.455 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.1 | -43.9 | 175.5 | -100.5 | 143.6 | 0 | 0 | 0 | 112.5 | V24 S25 N30 I31 Y32 | V24-L28 HydrophobicContact CG1-CD1 4.03Å; V24-L28 WeakPolarHBondContact O-CB 3.39Å; V24-L28 PolarHBondContact O-N 3.42Å; S25-L28 PolarHBondContact O-N 3.47Å; L28-N30 PolarHBondContact O-N 3.45Å; L28-I31 PolarHBondContact O-N 3.06Å; L28-Y32 HydrophobicContact CD2-CD2 4.36Å; L28-Y32 HydrophobicContact CD2-CE2 3.84Å; L28-Y32 WeakPolarHBondContact O-CD2 3.17Å; L28-Y32 PolarHBondContact O-N 2.92Å; L28-Y32 VanDerWaalsContact O-N 3.16Å |
| 29 | V | 50.1 | Low | 45.8 | Very low | 103 Ų | 103 | 107 Ų | 107 | 62% | 0.624 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.3 | -25.2 | 177.5 | 172.9 | 0 | 0 | 0 | 0 | 111.8 | S25 I26 P33 | S25-V29 VanDerWaalsContact O-CB 3.32Å; S25-V29 WeakPolarHBondContact O-CB 3.26Å; S25-V29 WeakPolarHBondContact O-CG2 3.42Å; S25-V29 PolarHBondContact O-N 2.96Å; I26-V29 PolarHBondContact O-N 2.79Å; V29-P33 WeakPolarHBondContact O-CD 3.43Å |
| 30 | N | 46.4 | Very low | 44.7 | Very low | 112 Ų | 112 | 106.3 Ų | 106.3 | 60% | 0.599 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -78.9 | -18 | 170.8 | -91.3 | -11.4 | 0 | 0 | 0 | 114 | I26 G27 L28 V34 | I26-N30 WeakPolarHBondContact O-CB 3.42Å; I26-N30 PolarHBondContact O-N 3.21Å; G27-N30 PolarHBondContact O-N 2.95Å; L28-N30 PolarHBondContact O-N 3.45Å; N30-V34 WeakPolarHBondContact O-CG2 3.41Å |
| 31 | I | 46.4 | Very low | 43.9 | Very low | 102 Ų | 102 | 108 Ų | 108 | 52% | 0.523 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -85 | -32.5 | 175.9 | -63 | 158.9 | 0 | 0 | 0 | 110.8 | G27 L28 V34 L35 | G27-I31 VanDerWaalsContact O-CD1 3.26Å; G27-I31 WeakPolarHBondContact O-CD1 3.5Å; G27-I31 WeakPolarHBondContact O-CG1 3.26Å; G27-I31 PolarHBondContact O-N 2.9Å; L28-I31 PolarHBondContact O-N 3.06Å; I31-V34 PolarHBondContact O-N 3.35Å; I31-L35 HydrophobicContact CG2-CD1 4.44Å |
| 32 | Y | 38.3 | Very low | 42.5 | Very low | 171 Ų | 171 | 111.7 Ų | 111.7 | 67% | 0.671 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -31.4 | -177.5 | -92.1 | -78.7 | 0 | 0 | 0 | 116.8 | L28 | L28-Y32 HydrophobicContact CD2-CD2 4.36Å; L28-Y32 HydrophobicContact CD2-CE2 3.84Å; L28-Y32 WeakPolarHBondContact O-CD2 3.17Å; L28-Y32 PolarHBondContact O-N 2.92Å; L28-Y32 VanDerWaalsContact O-N 3.16Å |
| 33 | P | 40.1 | Very low | 41.7 | Very low | 74 Ų | 74 | 115.3 Ų | 115.3 | 48% | 0.481 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.6 | -14.5 | 175.9 | 30.8 | -33.3 | 0 | 0 | 0 | 113.4 | V29 | V29-P33 WeakPolarHBondContact O-CD 3.43Š|
| 34 | V | 41.4 | Very low | 41.1 | Very low | 105 Ų | 105 | 115.4 Ų | 115.4 | 64% | 0.636 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -79.8 | -20.3 | 178.9 | -179.7 | 0 | 0 | 0 | 0 | 112 | N30 I31 N36 | N30-V34 WeakPolarHBondContact O-CG2 3.41Å; I31-V34 PolarHBondContact O-N 3.35Å; V34-N36 VanDerWaalsContact C-N 3.26Å; V34-N36 PolarHBondContact O-N 2.85Å |
| 35 | L | 40.7 | Very low | 40.1 | Very low | 142 Ų | 142 | 118.8 Ų | 118.8 | 74% | 0.743 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -83.7 | 3.6 | 174.5 | -78.9 | 162 | 0 | 0 | 0 | 113.9 | I31 | I31-L35 HydrophobicContact CG2-CD1 4.44Š|
| 36 | N | 30.8 | Very low | 39.9 | Very low | 138 Ų | 138 | 124.4 Ų | 124.4 | 74% | 0.738 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -104.7 | 17.4 | -179.3 | -142 | 22.6 | 0 | 0 | 0 | 114 | V34 | V34-N36 VanDerWaalsContact C-N 3.26Å; V34-N36 PolarHBondContact O-N 2.85Å |
| 37 | F | 38.2 | Very low | 39 | Very low | 167 Ų | 167 | 126.9 Ų | 126.9 | 73% | 0.732 | 68% | 0.682 | S | S | * | * | trans | -96.5 | 94.8 | 166.3 | -76.8 | -80.8 | 0 | 0 | 0 | 108.8 | ||||
| 38 | T | 31 | Very low | 38.3 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 66% | 0.656 | 71% | 0.706 | S | S | * | * | 34.1 | 117.6 | 129.4 | 53.5 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 39 | D | 32.4 | Very low | 38 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 31.8 | 112.7 | 138.1 | -61.9 | -40.5 | 0 | 0 | 0 | 117 | ||
| 40 | T | 34.9 | Very low | 37.5 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 78% | 0.779 | 72% | 0.716 | S | S | * | * | trans | 65.1 | 114.5 | 154.5 | 62.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 41 | I | 32.6 | Very low | 36.9 | Very low | 151 Ų | 151 | 134.5 Ų | 134.5 | 77% | 0.774 | 73% | 0.732 | S | S | * | * | trans | 156.9 | 110.8 | 141.1 | -80.3 | 156.8 | 0 | 0 | 0 | 110.6 | ||||
| 42 | H | 26.7 | Very low | 36.4 | Very low | 167 Ų | 167 | 132.7 Ų | 132.7 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | trans | 72.3 | 98.9 | 148.8 | -67.9 | -106.4 | 0 | 0 | 0 | 121.6 | ||||
| 43 | V | 38.7 | Very low | 36.5 | Very low | 141 Ų | 141 | 130 Ų | 130 | 86% | 0.855 | 74% | 0.739 | S | S | * | * | trans | -61.7 | 125.6 | 134 | -179.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 44 | P | 43.5 | Very low | 36.9 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 69% | 0.688 | 75% | 0.749 | S | S | * | * | -152.9 | -168.3 | 60.9 | 35.5 | -10.9 | 0 | 0 | 0 | 115.2 | |||||
| 45 | L | 34 | Very low | 37.2 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | trans | 110.6 | 56.7 | 156.5 | -144.8 | 93.8 | 0 | 0 | 0 | 118.1 | ||||
| 46 | I | 45.3 | Very low | 37.7 | Very low | 171 Ų | 171 | 134.4 Ų | 134.4 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -132.6 | 97.5 | 152.5 | -54.3 | 177.5 | 0 | 0 | 0 | 110.4 | ||
| 47 | M | 33.2 | Very low | 38.7 | Very low | 153 Ų | 153 | 132.6 Ų | 132.6 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | 58.4 | 118.2 | 144.5 | -142.8 | 125.2 | 99.9 | 0 | 0 | 121.2 | T49 | M47-T49 PolarHBondContact O-N 3.31Š| ||
| 48 | P | 34.5 | Very low | 39.4 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 84% | 0.838 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -88.4 | 78.5 | 176.4 | 36.8 | -30.9 | 0 | 0 | 0 | 110.9 | ||
| 49 | T | 38.9 | Very low | 40.6 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 71% | 0.712 | 73% | 0.734 | S | S | * | * | trans | -153.5 | 18.1 | 170 | 20.7 | 0 | 0 | 0 | 0 | 113.6 | M47 L51 | M47-T49 PolarHBondContact O-N 3.31Å; T49-L51 PolarHBondContact O-N 3.05Å | ||
| 50 | A | 39.6 | Very low | 41.7 | Very low | 69 Ų | 69 | 126.5 Ų | 126.5 | 57% | 0.57 | 72% | 0.722 | S | S | * | * | trans | -88 | 96.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | G52 V53 | A50-G52 VanDerWaalsContact C-N 3.35Å; A50-G52 PolarHBondContact O-N 3.11Å; A50-V53 HydrophobicContact CB-CG2 3.4Å; A50-V53 VanDerWaalsContact CB-CG2 3.4Å | ||
| 51 | L | 33.9 | Very low | 42.7 | Very low | 181 Ų | 181 | 130.6 Ų | 130.6 | 95% | 0.948 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.1 | 101.6 | 154.9 | -90.6 | 148.9 | 0 | 0 | 0 | 108.4 | T49 | T49-L51 PolarHBondContact O-N 3.05Š|
| 52 | G | 35.6 | Very low | 43.8 | Very low | 64 Ų | 64 | 131.2 Ų | 131.2 | 66% | 0.66 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.7 | 71.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | A50 V54 | A50-G52 VanDerWaalsContact C-N 3.35Å; A50-G52 PolarHBondContact O-N 3.11Å; G52-V54 PolarHBondContact O-N 3.4Å |
| 53 | V | 40.7 | Very low | 45.3 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | trans | -70 | 87.7 | 156.8 | -170.6 | 0 | 0 | 0 | 0 | 107.7 | A50 K55 | A50-V53 HydrophobicContact CB-CG2 3.4Å; A50-V53 VanDerWaalsContact CB-CG2 3.4Å; V53-K55 PolarHBondContact O-N 2.99Å | ||
| 54 | V | 49.5 | Very low | 46.2 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 69% | 0.685 | 68% | 0.68 | S | S | * | * | trans | -66 | 102.5 | 166.4 | 179 | 0 | 0 | 0 | 0 | 106.3 | G52 L56 | G52-V54 PolarHBondContact O-N 3.4Å; V54-L56 VanDerWaalsContact C-N 3.27Å; V54-L56 PolarHBondContact O-N 3.06Å | ||
| 55 | K | 46.7 | Very low | 47.1 | Very low | 199 Ų | 199 | 124.4 Ų | 124.4 | 87% | 0.865 | 67% | 0.674 | S | S | * | * | trans | -61.8 | 94.3 | 165.9 | -87.9 | -178 | 173.5 | 178.5 | 0 | 107.5 | V53 D57 | V53-K55 PolarHBondContact O-N 2.99Å; K55-D57 PolarHBondContact O-N 2.95Å; K55-D57 VanDerWaalsContact O-N 3.13Å | ||
| 56 | L | 51.7 | Low | 48.5 | Very low | 102 Ų | 102 | 121.3 Ų | 121.3 | 53% | 0.534 | 66% | 0.658 | S | S | . | * | trans | -67.5 | 108.1 | 169.6 | -96.3 | 125.7 | 0 | 0 | 0 | 107.8 | V54 T58 V63 | V54-L56 VanDerWaalsContact C-N 3.27Å; V54-L56 PolarHBondContact O-N 3.06Å; L56-T58 PolarHBondContact O-N 2.98Å; L56-V63 HydrophobicContact CD2-CB 4.3Å; L56-V63 HydrophobicContact CD2-CG1 3.43Å; L56-V63 VanDerWaalsContact CD2-CG1 3.43Å; L56-V63 HydrophobicContact CD2-CG2 3.83Å | ||
| 57 | D | 50.7 | Low | 49.3 | Very low | 100 Ų | 100 | 119.4 Ų | 119.4 | 54% | 0.535 | 64% | 0.643 | S | S | . | * | trans | -64.6 | 102 | 176.1 | -163.2 | -18.3 | 0 | 0 | 0 | 109.2 | K55 S59 N60 | K55-D57 PolarHBondContact O-N 2.95Å; K55-D57 VanDerWaalsContact O-N 3.13Å; D57-S59 PolarHBondContact O-N 3.41Å; D57-S59 VanDerWaalsContact O-N 3.08Å; D57-S59 WeakPolarHBondContact OD1-CB 3.36Å; D57-S59 PolarHBondContact OD1-N 3.05Å; D57-S59 PolarHBondContact OD1-OG 3.17Å; D57-S59 PolarHBondContact OD2-OG 3.31Å; D57-N60 PolarHBondContact O-N 3.27Å | ||
| 58 | T | 54.4 | Low | 50.8 | Low | 108 Ų | 108 | 117.3 Ų | 117.3 | 66% | 0.663 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -4.6 | -177.3 | 48.3 | 0 | 0 | 0 | 0 | 113.4 | L56 N60 K64 | L56-T58 PolarHBondContact O-N 2.98Å; T58-N60 VanDerWaalsContact C-N 3.33Å; T58-K64 VanDerWaalsContact O-CE 3.29Å; T58-K64 WeakPolarHBondContact O-CE 3.47Å |
| 59 | S | 54.8 | Low | 52.1 | Low | 85 Ų | 85 | 113.7 Ų | 113.7 | 59% | 0.594 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -20.8 | 173.1 | 67.7 | 0 | 0 | 0 | 0 | 112.8 | D57 R61 | D57-S59 PolarHBondContact O-N 3.41Å; D57-S59 VanDerWaalsContact O-N 3.08Å; D57-S59 WeakPolarHBondContact OD1-CB 3.36Å; D57-S59 PolarHBondContact OD1-N 3.05Å; D57-S59 PolarHBondContact OD1-OG 3.17Å; D57-S59 PolarHBondContact OD2-OG 3.31Å; S59-R61 PolarHBondContact O-N 3.4Å |
| 60 | N | 56.7 | Low | 53.5 | Low | 97 Ų | 97 | 113 Ų | 113 | 52% | 0.519 | 60% | 0.603 | S | S | . | * | trans | -76.1 | 112.2 | -177.8 | -102.2 | -29.9 | 0 | 0 | 0 | 111.7 | D57 T58 F62 V63 K64 | D57-N60 PolarHBondContact O-N 3.27Å; T58-N60 VanDerWaalsContact C-N 3.33Å; N60-F62 PolarHBondContact O-N 3.05Å; N60-V63 HydrophobicContact CB-CG2 4.08Å; N60-V63 PolarHBondContact O-N 3.43Å; N60-K64 PolarHBondContact O-N 3.06Å | ||
| 61 | R | 54.9 | Low | 54.8 | Low | 214 Ų | 214 | 115.6 Ų | 115.6 | 81% | 0.808 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -51.1 | -29.8 | 178.3 | -158 | 176.1 | -172.2 | 175.3 | 1.9 | 112.8 | S59 L65 | S59-R61 PolarHBondContact O-N 3.4Å; R61-L65 PolarHBondContact O-N 3.32Å; R61-L65 VanDerWaalsContact O-N 3.12Å |
| 62 | F | 55.1 | Low | 56.4 | Low | 164 Ų | 164 | 111.4 Ų | 111.4 | 72% | 0.719 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.4 | -40.3 | 177.9 | -150 | -92.7 | 0 | 0 | 0 | 113.2 | N60 L65 L66 | N60-F62 PolarHBondContact O-N 3.05Å; F62-L65 PolarHBondContact O-N 3.5Å; F62-L66 PolarHBondContact O-N 3.25Å |
| 63 | V | 58.1 | Low | 58.1 | Low | 33 Ų | 33 | 113.3 Ų | 113.3 | 20% | 0.2 | 58% | 0.579 | C | S | . | * | H | α-helix | trans | -66.9 | -41.9 | 178.3 | 177.8 | 0 | 0 | 0 | 0 | 110.3 | L56 N60 L65 L66 F67 | L56-V63 HydrophobicContact CD2-CB 4.3Å; L56-V63 HydrophobicContact CD2-CG1 3.43Å; L56-V63 VanDerWaalsContact CD2-CG1 3.43Å; L56-V63 HydrophobicContact CD2-CG2 3.83Å; N60-V63 HydrophobicContact CB-CG2 4.08Å; N60-V63 PolarHBondContact O-N 3.43Å; V63-L65 VanDerWaalsContact C-N 3.33Å; V63-L65 PolarHBondContact O-N 3.21Å; V63-L66 PolarHBondContact O-N 3.49Å; V63-F67 HydrophobicContact CG1-CD2 4.11Å; V63-F67 HydrophobicContact CG1-CE2 4.21Å; V63-F67 WeakPolarHBondContact O-CD2 3.47Å; V63-F67 PolarHBondContact O-N 3.36Å; V63-F67 VanDerWaalsContact O-N 3.08Å |
| 64 | K | 59.5 | Low | 59.6 | Low | 131 Ų | 131 | 112.9 Ų | 112.9 | 57% | 0.57 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60 | -43.1 | 173.9 | -71.2 | -175.4 | 179.5 | 176 | 0 | 111.8 | T58 N60 L66 F67 I68 | T58-K64 VanDerWaalsContact O-CE 3.29Å; T58-K64 WeakPolarHBondContact O-CE 3.47Å; N60-K64 PolarHBondContact O-N 3.06Å; K64-L66 VanDerWaalsContact C-N 3.33Å; K64-L66 PolarHBondContact O-N 3.11Å; K64-F67 PolarHBondContact O-N 2.99Å; K64-I68 WeakPolarHBondContact O-CD1 3.27Å; K64-I68 VanDerWaalsContact O-CG1 3.25Å; K64-I68 WeakPolarHBondContact O-CG1 3.33Å; K64-I68 PolarHBondContact O-N 3.26Å |
| 65 | L | 60.6 | Low | 60.5 | Low | 107 Ų | 107 | 111.7 Ų | 111.7 | 56% | 0.56 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.7 | -38 | 177.9 | -115.1 | 144.1 | 0 | 0 | 0 | 112.4 | R61 F62 V63 I68 S69 | R61-L65 PolarHBondContact O-N 3.32Å; R61-L65 VanDerWaalsContact O-N 3.12Å; F62-L65 PolarHBondContact O-N 3.5Å; V63-L65 VanDerWaalsContact C-N 3.33Å; V63-L65 PolarHBondContact O-N 3.21Å; L65-I68 PolarHBondContact O-N 3.24Å; L65-S69 WeakPolarHBondContact O-CB 3.29Å; L65-S69 PolarHBondContact O-N 3.43Å; L65-S69 PolarHBondContact O-OG 3.01Å; L65-S69 VanDerWaalsContact O-OG 3.07Å |
| 66 | L | 64.2 | Low | 61.8 | Low | 99 Ų | 99 | 108.7 Ų | 108.7 | 52% | 0.518 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.1 | -36.8 | 179 | -151.2 | 145 | 0 | 0 | 0 | 112.2 | F62 V63 K64 S69 L70 | F62-L66 PolarHBondContact O-N 3.25Å; V63-L66 PolarHBondContact O-N 3.49Å; K64-L66 VanDerWaalsContact C-N 3.33Å; K64-L66 PolarHBondContact O-N 3.11Å; L66-S69 WeakPolarHBondContact CA-OG 3.34Å; L66-S69 PolarHBondContact O-OG 3.36Å; L66-L70 VanDerWaalsContact O-CB 3.27Å; L66-L70 WeakPolarHBondContact O-CB 3.33Å; L66-L70 PolarHBondContact O-N 3.43Å |
| 67 | F | 62.8 | Low | 62.7 | Low | 130 Ų | 130 | 107 Ų | 107 | 57% | 0.57 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.2 | -41.2 | 171.6 | -91.8 | -81.8 | 0 | 0 | 0 | 112.5 | V63 K64 L70 Q71 | V63-F67 HydrophobicContact CG1-CD2 4.11Å; V63-F67 HydrophobicContact CG1-CE2 4.21Å; V63-F67 WeakPolarHBondContact O-CD2 3.47Å; V63-F67 PolarHBondContact O-N 3.36Å; V63-F67 VanDerWaalsContact O-N 3.08Å; K64-F67 PolarHBondContact O-N 2.99Å; F67-L70 PolarHBondContact O-N 3.27Å; F67-Q71 WeakPolarHBondContact O-CB 3.3Å; F67-Q71 PolarHBondContact O-N 3.22Å |
| 68 | I | 64 | Low | 63.7 | Low | 110 Ų | 110 | 106.3 Ų | 106.3 | 56% | 0.564 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.3 | -44.7 | 176.9 | -67.7 | 163.7 | 0 | 0 | 0 | 110.3 | K64 L65 Q71 V72 | K64-I68 WeakPolarHBondContact O-CD1 3.27Å; K64-I68 VanDerWaalsContact O-CG1 3.25Å; K64-I68 WeakPolarHBondContact O-CG1 3.33Å; K64-I68 PolarHBondContact O-N 3.26Å; L65-I68 PolarHBondContact O-N 3.24Å; I68-Q71 PolarHBondContact O-N 2.87Å; I68-V72 VanDerWaalsContact O-CG2 3.28Å; I68-V72 WeakPolarHBondContact O-CG2 3.4Å; I68-V72 PolarHBondContact O-N 3.42Å |
| 69 | S | 61 | Low | 64.3 | Low | 53 Ų | 53 | 110.1 Ų | 110.1 | 37% | 0.371 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 178.2 | 57.5 | 0 | 0 | 0 | 0 | 112 | L65 L66 Q71 V72 I73 | L65-S69 WeakPolarHBondContact O-CB 3.29Å; L65-S69 PolarHBondContact O-N 3.43Å; L65-S69 PolarHBondContact O-OG 3.01Å; L65-S69 VanDerWaalsContact O-OG 3.07Å; L66-S69 WeakPolarHBondContact CA-OG 3.34Å; L66-S69 PolarHBondContact O-OG 3.36Å; S69-Q71 VanDerWaalsContact C-N 3.34Å; S69-Q71 PolarHBondContact O-N 3Å; S69-V72 PolarHBondContact O-N 3.43Å; S69-I73 VanDerWaalsContact O-CG1 3.27Å; S69-I73 WeakPolarHBondContact O-CG1 3.36Å; S69-I73 PolarHBondContact O-N 3.42Å |
| 70 | L | 68.7 | Low | 65.2 | Low | 100 Ų | 100 | 110.1 Ų | 110.1 | 52% | 0.524 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 174 | -172 | 67.5 | 0 | 0 | 0 | 111.6 | L66 F67 V72 I73 L74 | L66-L70 VanDerWaalsContact O-CB 3.27Å; L66-L70 WeakPolarHBondContact O-CB 3.33Å; L66-L70 PolarHBondContact O-N 3.43Å; F67-L70 PolarHBondContact O-N 3.27Å; L70-V72 PolarHBondContact O-N 3.46Å; L70-I73 PolarHBondContact O-N 2.98Å; L70-L74 WeakPolarHBondContact O-CB 3.45Å; L70-L74 PolarHBondContact O-N 3.49Å |
| 71 | Q | 67.1 | Low | 65.9 | Low | 125 Ų | 125 | 110.1 Ų | 110.1 | 58% | 0.584 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.7 | -38.8 | 177.4 | -168 | 117.2 | 10 | 0 | 0 | 112.3 | F67 I68 S69 N75 | F67-Q71 WeakPolarHBondContact O-CB 3.3Å; F67-Q71 PolarHBondContact O-N 3.22Å; I68-Q71 PolarHBondContact O-N 2.87Å; S69-Q71 VanDerWaalsContact C-N 3.34Å; S69-Q71 PolarHBondContact O-N 3Å; Q71-N75 WeakPolarHBondContact O-CB 3.24Å; Q71-N75 PolarHBondContact O-N 3.41Å; Q71-N75 PolarHBondContact O-ND2 3.42Å |
| 72 | V | 68.7 | Low | 66.4 | Low | 93 Ų | 93 | 104.8 Ų | 104.8 | 56% | 0.564 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.3 | -45.1 | 176.3 | 171 | 0 | 0 | 0 | 0 | 110.8 | I68 S69 L70 N75 F76 | I68-V72 VanDerWaalsContact O-CG2 3.28Å; I68-V72 WeakPolarHBondContact O-CG2 3.4Å; I68-V72 PolarHBondContact O-N 3.42Å; S69-V72 PolarHBondContact O-N 3.43Å; L70-V72 PolarHBondContact O-N 3.46Å; V72-N75 PolarHBondContact O-N 2.9Å; V72-F76 WeakPolarHBondContact O-CB 3.27Å; V72-F76 PolarHBondContact O-N 3.22Å |
| 73 | I | 70.5 | Confident | 67.2 | Low | 103 Ų | 103 | 101.9 Ų | 101.9 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 177.8 | -67 | 164.3 | 0 | 0 | 0 | 110.1 | S69 L70 N75 F76 V77 | S69-I73 VanDerWaalsContact O-CG1 3.27Å; S69-I73 WeakPolarHBondContact O-CG1 3.36Å; S69-I73 PolarHBondContact O-N 3.42Å; L70-I73 PolarHBondContact O-N 2.98Å; I73-N75 PolarHBondContact O-N 2.72Å; I73-F76 WeakPolarHBondContact O-CB 3.49Å; I73-F76 PolarHBondContact O-N 3.29Å; I73-F76 VanDerWaalsContact O-N 3.15Å; I73-V77 HydrophobicContact CG2-CG2 4.45Å; I73-V77 WeakPolarHBondContact O-CG2 3.31Å; I73-V77 PolarHBondContact O-N 2.71Å |
| 74 | L | 71.1 | Confident | 67.9 | Low | 105 Ų | 105 | 105.4 Ų | 105.4 | 55% | 0.55 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 179.9 | -164.8 | 75.3 | 0 | 0 | 0 | 111.7 | L70 F76 V77 I78 | L70-L74 WeakPolarHBondContact O-CB 3.45Å; L70-L74 PolarHBondContact O-N 3.49Å; L74-F76 VanDerWaalsContact C-N 3.28Å; L74-F76 PolarHBondContact O-N 2.91Å; L74-V77 PolarHBondContact O-N 3.21Å; L74-I78 HydrophobicContact CG-CD1 4.16Å; L74-I78 VanDerWaalsContact O-CG1 3.3Å; L74-I78 WeakPolarHBondContact O-CG1 3.32Å; L74-I78 PolarHBondContact O-N 3.22Å |
| 75 | N | 69.1 | Low | 68.1 | Low | 88 Ų | 88 | 102.4 Ų | 102.4 | 47% | 0.471 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -36.8 | 175.3 | -90 | -36.9 | 0 | 0 | 0 | 112.5 | Q71 V72 I73 R79 | Q71-N75 WeakPolarHBondContact O-CB 3.24Å; Q71-N75 PolarHBondContact O-N 3.41Å; Q71-N75 PolarHBondContact O-ND2 3.42Å; V72-N75 PolarHBondContact O-N 2.9Å; I73-N75 PolarHBondContact O-N 2.72Å; N75-R79 WeakPolarHBondContact O-CB 3.43Å; N75-R79 WeakPolarHBondContact O-CG 3.46Å; N75-R79 PolarHBondContact O-N 3.21Å |
| 76 | F | 74.2 | Confident | 68.3 | Low | 135 Ų | 135 | 101.4 Ų | 101.4 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.6 | -44.9 | 176.6 | -174.5 | -105.4 | 0 | 0 | 0 | 111.8 | V72 I73 L74 I78 R79 I80 | V72-F76 WeakPolarHBondContact O-CB 3.27Å; V72-F76 PolarHBondContact O-N 3.22Å; I73-F76 WeakPolarHBondContact O-CB 3.49Å; I73-F76 PolarHBondContact O-N 3.29Å; I73-F76 VanDerWaalsContact O-N 3.15Å; L74-F76 VanDerWaalsContact C-N 3.28Å; L74-F76 PolarHBondContact O-N 2.91Å; F76-I78 PolarHBondContact O-N 3.36Å; F76-R79 PolarHBondContact O-N 2.92Å; F76-I80 HydrophobicContact CD1-CD1 3.78Å; F76-I80 HydrophobicContact CE1-CD1 3.27Å; F76-I80 HydrophobicContact CE1-CG1 4.37Å; F76-I80 HydrophobicContact CE2-CD1 4.33Å; F76-I80 HydrophobicContact CZ-CD1 3.59Å; F76-I80 HydrophobicContact CZ-CG1 4.42Å; F76-I80 PolarHBondContact O-N 3.12Å |
| 77 | V | 70 | Confident | 68 | Low | 68 Ų | 68 | 105.4 Ų | 105.4 | 41% | 0.412 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 176.2 | 173.2 | 0 | 0 | 0 | 0 | 111 | I73 L74 R79 I80 L81 | I73-V77 HydrophobicContact CG2-CG2 4.45Å; I73-V77 WeakPolarHBondContact O-CG2 3.31Å; I73-V77 PolarHBondContact O-N 2.71Å; L74-V77 PolarHBondContact O-N 3.21Å; V77-R79 VanDerWaalsContact C-N 3.33Å; V77-R79 PolarHBondContact O-N 2.81Å; V77-I80 PolarHBondContact O-N 2.99Å; V77-L81 HydrophobicContact CG1-CD1 3.96Å; V77-L81 WeakPolarHBondContact O-CG 3.42Å; V77-L81 PolarHBondContact O-N 3.26Å |
| 78 | I | 71.6 | Confident | 68.2 | Low | 84 Ų | 84 | 102.4 Ų | 102.4 | 43% | 0.431 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 178 | -68 | 166.4 | 0 | 0 | 0 | 110.8 | L74 F76 I80 L81 L82 | L74-I78 HydrophobicContact CG-CD1 4.16Å; L74-I78 VanDerWaalsContact O-CG1 3.3Å; L74-I78 WeakPolarHBondContact O-CG1 3.32Å; L74-I78 PolarHBondContact O-N 3.22Å; F76-I78 PolarHBondContact O-N 3.36Å; I78-I80 PolarHBondContact O-N 2.9Å; I78-L81 PolarHBondContact O-N 3.4Å; I78-L82 WeakPolarHBondContact O-CB 3.3Å; I78-L82 PolarHBondContact O-N 2.94Å |
| 79 | R | 66.8 | Low | 67.9 | Low | 189 Ų | 189 | 100.7 Ų | 100.7 | 71% | 0.713 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.3 | -43.5 | 177.2 | -82.5 | -177.4 | 168.6 | -157 | -2.4 | 112.4 | N75 F76 V77 L82 I83 | N75-R79 WeakPolarHBondContact O-CB 3.43Å; N75-R79 WeakPolarHBondContact O-CG 3.46Å; N75-R79 PolarHBondContact O-N 3.21Å; F76-R79 PolarHBondContact O-N 2.92Å; V77-R79 VanDerWaalsContact C-N 3.33Å; V77-R79 PolarHBondContact O-N 2.81Å; R79-L82 PolarHBondContact O-N 2.94Å; R79-I83 VanDerWaalsContact O-CG1 3.28Å; R79-I83 WeakPolarHBondContact O-CG1 3.36Å; R79-I83 PolarHBondContact O-N 3.49Å |
| 80 | I | 74.4 | Confident | 68 | Low | 85 Ų | 85 | 102 Ų | 102 | 44% | 0.436 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -46.2 | 177.6 | -69.9 | 174.2 | 0 | 0 | 0 | 110.6 | F76 V77 I78 L82 I83 W84 | F76-I80 HydrophobicContact CD1-CD1 3.78Å; F76-I80 HydrophobicContact CE1-CD1 3.27Å; F76-I80 HydrophobicContact CE1-CG1 4.37Å; F76-I80 HydrophobicContact CE2-CD1 4.33Å; F76-I80 HydrophobicContact CZ-CD1 3.59Å; F76-I80 HydrophobicContact CZ-CG1 4.42Å; F76-I80 PolarHBondContact O-N 3.12Å; V77-I80 PolarHBondContact O-N 2.99Å; I78-I80 PolarHBondContact O-N 2.9Å; I80-L82 VanDerWaalsContact C-N 3.3Å; I80-L82 PolarHBondContact O-N 2.91Å; I80-I83 PolarHBondContact O-N 3.26Å; I80-W84 WeakPolarHBondContact O-CB 3.43Å; I80-W84 PolarHBondContact O-N 3.47Å |
| 81 | L | 71.3 | Confident | 67.6 | Low | 96 Ų | 96 | 100.5 Ų | 100.5 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.5 | -41.7 | 176.9 | -76.5 | 169.7 | 0 | 0 | 0 | 111.7 | V77 I78 W84 V85 | V77-L81 HydrophobicContact CG1-CD1 3.96Å; V77-L81 WeakPolarHBondContact O-CG 3.42Å; V77-L81 PolarHBondContact O-N 3.26Å; I78-L81 PolarHBondContact O-N 3.4Å; L81-W84 WeakPolarHBondContact O-CB 3.28Å; L81-W84 PolarHBondContact O-N 3.38Å; L81-V85 WeakPolarHBondContact O-CG2 3.17Å; L81-V85 PolarHBondContact O-N 3Å |
| 82 | L | 65.4 | Low | 67.2 | Low | 103 Ų | 103 | 97.3 Ų | 97.3 | 54% | 0.539 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.7 | -42.3 | -179 | -155.8 | 128.8 | 0 | 0 | 0 | 111.7 | I78 R79 I80 W84 V85 I86 | I78-L82 WeakPolarHBondContact O-CB 3.3Å; I78-L82 PolarHBondContact O-N 2.94Å; R79-L82 PolarHBondContact O-N 2.94Å; I80-L82 VanDerWaalsContact C-N 3.3Å; I80-L82 PolarHBondContact O-N 2.91Å; L82-W84 VanDerWaalsContact C-N 3.27Å; L82-W84 PolarHBondContact O-N 2.96Å; L82-V85 PolarHBondContact O-N 3.37Å; L82-I86 HydrophobicContact CD2-CD1 3.69Å; L82-I86 VanDerWaalsContact O-CG1 3.27Å; L82-I86 WeakPolarHBondContact O-CG1 3.37Å; L82-I86 PolarHBondContact O-N 2.88Å |
| 83 | I | 71.3 | Confident | 66.7 | Low | 103 Ų | 103 | 99.8 Ų | 99.8 | 53% | 0.528 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 172.9 | -67.8 | 164.7 | 0 | 0 | 0 | 110.3 | R79 I80 I86 R87 | R79-I83 VanDerWaalsContact O-CG1 3.28Å; R79-I83 WeakPolarHBondContact O-CG1 3.36Å; R79-I83 PolarHBondContact O-N 3.49Å; I80-I83 PolarHBondContact O-N 3.26Å; I83-I86 PolarHBondContact O-N 3.38Å; I83-R87 HydrophobicContact CG2-CG 4.32Å; I83-R87 WeakPolarHBondContact O-CB 3.3Å; I83-R87 VanDerWaalsContact O-CG 3.24Å; I83-R87 WeakPolarHBondContact O-CG 3.26Å; I83-R87 PolarHBondContact O-N 2.96Å |
| 84 | W | 73.4 | Confident | 66.3 | Low | 106 Ų | 106 | 101 Ų | 101 | 40% | 0.402 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.2 | -47.5 | 178.9 | -173.1 | 83 | 0 | 0 | 0 | 112.1 | I80 L81 L82 I86 R87 I88 L116 | I80-W84 WeakPolarHBondContact O-CB 3.43Å; I80-W84 PolarHBondContact O-N 3.47Å; L81-W84 WeakPolarHBondContact O-CB 3.28Å; L81-W84 PolarHBondContact O-N 3.38Å; L82-W84 VanDerWaalsContact C-N 3.27Å; L82-W84 PolarHBondContact O-N 2.96Å; W84-I86 VanDerWaalsContact C-N 3.33Å; W84-I86 PolarHBondContact O-N 3.39Å; W84-R87 PolarHBondContact O-N 3.41Å; W84-I88 HydrophobicContact CD2-CD1 3.58Å; W84-I88 HydrophobicContact CD2-CG1 4.5Å; W84-I88 HydrophobicContact CE3-CD1 3.61Å; W84-I88 HydrophobicContact CG-CD1 4.47Å; W84-I88 HydrophobicContact CH2-CD1 3.29Å; W84-I88 HydrophobicContact CZ2-CD1 3.27Å; W84-I88 HydrophobicContact CZ3-CD1 3.46Å; W84-I88 VanDerWaalsContact CZ3-CD1 3.46Å; W84-I88 WeakPolarHBondContact O-CG1 3.36Å; W84-I88 PolarHBondContact O-N 3.47Å; W84-L116 HydrophobicContact CZ2-CD1 3.84Å; W84-L116 HydrophobicContact CZ2-CD2 3.64Å; W84-L116 HydrophobicContact CZ2-CG 4.43Å |
| 85 | V | 64 | Low | 65.6 | Low | 69 Ų | 69 | 100 Ų | 100 | 42% | 0.418 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 176.2 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | L81 L82 I88 N89 | L81-V85 WeakPolarHBondContact O-CG2 3.17Å; L81-V85 PolarHBondContact O-N 3Å; L82-V85 PolarHBondContact O-N 3.37Å; V85-I88 PolarHBondContact O-N 3.28Å; V85-N89 PolarHBondContact O-N 3.02Å; V85-N89 PolarHBondContact O-ND2 2.93Å |
| 86 | I | 64.4 | Low | 64.9 | Low | 85 Ų | 85 | 99.6 Ų | 99.6 | 44% | 0.436 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.3 | -44.2 | 176.4 | -68.9 | 168.5 | 0 | 0 | 0 | 110.6 | L82 I83 W84 I88 N89 I90 | L82-I86 HydrophobicContact CD2-CD1 3.69Å; L82-I86 VanDerWaalsContact O-CG1 3.27Å; L82-I86 WeakPolarHBondContact O-CG1 3.37Å; L82-I86 PolarHBondContact O-N 2.88Å; I83-I86 PolarHBondContact O-N 3.38Å; W84-I86 VanDerWaalsContact C-N 3.33Å; W84-I86 PolarHBondContact O-N 3.39Å; I86-I88 VanDerWaalsContact C-N 3.33Å; I86-I88 PolarHBondContact O-N 3.03Å; I86-N89 PolarHBondContact O-N 3.35Å; I86-I90 HydrophobicContact CG2-CD1 3.63Å; I86-I90 HydrophobicContact CG2-CG1 4.29Å; I86-I90 VanDerWaalsContact O-CG1 3.29Å; I86-I90 WeakPolarHBondContact O-CG1 3.26Å; I86-I90 PolarHBondContact O-N 3.06Å |
| 87 | R | 58.6 | Low | 63.9 | Low | 184 Ų | 184 | 101.2 Ų | 101.2 | 69% | 0.694 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.8 | -39.2 | 178.6 | -78.7 | -82.6 | -169.8 | 165.5 | 1.7 | 112.3 | I83 W84 Y91 | I83-R87 HydrophobicContact CG2-CG 4.32Å; I83-R87 WeakPolarHBondContact O-CB 3.3Å; I83-R87 VanDerWaalsContact O-CG 3.24Å; I83-R87 WeakPolarHBondContact O-CG 3.26Å; I83-R87 PolarHBondContact O-N 2.96Å; W84-R87 PolarHBondContact O-N 3.41Å; R87-Y91 WeakPolarHBondContact O-CB 3.27Å; R87-Y91 PolarHBondContact O-N 3.27Å |
| 88 | I | 65.7 | Low | 63 | Low | 67 Ų | 67 | 100.4 Ų | 100.4 | 34% | 0.344 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.3 | -48.9 | 175.6 | -72.6 | 173 | 0 | 0 | 0 | 110.7 | W84 V85 I86 I90 Y91 D92 L116 | W84-I88 HydrophobicContact CD2-CD1 3.58Å; W84-I88 HydrophobicContact CD2-CG1 4.5Å; W84-I88 HydrophobicContact CE3-CD1 3.61Å; W84-I88 HydrophobicContact CG-CD1 4.47Å; W84-I88 HydrophobicContact CH2-CD1 3.29Å; W84-I88 HydrophobicContact CZ2-CD1 3.27Å; W84-I88 HydrophobicContact CZ3-CD1 3.46Å; W84-I88 VanDerWaalsContact CZ3-CD1 3.46Å; W84-I88 WeakPolarHBondContact O-CG1 3.36Å; W84-I88 PolarHBondContact O-N 3.47Å; V85-I88 PolarHBondContact O-N 3.28Å; I86-I88 VanDerWaalsContact C-N 3.33Å; I86-I88 PolarHBondContact O-N 3.03Å; I88-I90 VanDerWaalsContact C-N 3.31Å; I88-I90 PolarHBondContact O-N 3.43Å; I88-Y91 PolarHBondContact O-N 3.36Å; I88-Y91 VanDerWaalsContact O-N 3.11Å; I88-D92 WeakPolarHBondContact O-CB 3.5Å; I88-D92 PolarHBondContact O-N 2.89Å; I88-L116 HydrophobicContact CD1-CD2 4.45Å |
| 89 | N | 58.8 | Low | 61.6 | Low | 74 Ų | 74 | 101.2 Ų | 101.2 | 40% | 0.396 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 179.5 | -79.1 | -64.7 | 0 | 0 | 0 | 112.2 | V85 I86 Y91 D92 L93 | V85-N89 PolarHBondContact O-N 3.02Å; V85-N89 PolarHBondContact O-ND2 2.93Å; I86-N89 PolarHBondContact O-N 3.35Å; N89-Y91 VanDerWaalsContact C-N 3.33Å; N89-D92 PolarHBondContact O-N 2.8Å; N89-L93 WeakPolarHBondContact O-CB 3.42Å; N89-L93 WeakPolarHBondContact O-CD1 3.27Å; N89-L93 PolarHBondContact O-N 3.34Å |
| 90 | I | 62.6 | Low | 60.2 | Low | 81 Ų | 81 | 100 Ų | 100 | 42% | 0.415 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 176.3 | -68.8 | 169.4 | 0 | 0 | 0 | 110.7 | I86 I88 L93 Q94 | I86-I90 HydrophobicContact CG2-CD1 3.63Å; I86-I90 HydrophobicContact CG2-CG1 4.29Å; I86-I90 VanDerWaalsContact O-CG1 3.29Å; I86-I90 WeakPolarHBondContact O-CG1 3.26Å; I86-I90 PolarHBondContact O-N 3.06Å; I88-I90 VanDerWaalsContact C-N 3.31Å; I88-I90 PolarHBondContact O-N 3.43Å; I90-L93 PolarHBondContact O-N 2.87Å; I90-Q94 HydrophobicContact CG2-CG 4.4Å; I90-Q94 WeakPolarHBondContact O-CB 3.43Å; I90-Q94 VanDerWaalsContact O-CG 3.26Å; I90-Q94 WeakPolarHBondContact O-CG 3.4Å; I90-Q94 PolarHBondContact O-N 2.87Å |
| 91 | Y | 59.9 | Low | 58.7 | Low | 68 Ų | 68 | 101.6 Ų | 101.6 | 27% | 0.267 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 179 | -175.3 | -111.5 | 0 | 0 | 0 | 112.3 | R87 I88 N89 L93 Q94 H95 I98 R119 | R87-Y91 WeakPolarHBondContact O-CB 3.27Å; R87-Y91 PolarHBondContact O-N 3.27Å; I88-Y91 PolarHBondContact O-N 3.36Å; I88-Y91 VanDerWaalsContact O-N 3.11Å; N89-Y91 VanDerWaalsContact C-N 3.33Å; Y91-L93 VanDerWaalsContact C-N 3.34Å; Y91-Q94 PolarHBondContact O-N 3.49Å; Y91-Q94 VanDerWaalsContact O-N 3.15Å; Y91-H95 AromaticContact CD2-CD2 3.43Å; Y91-H95 VanDerWaalsContact CD2-CD2 3.43Å; Y91-H95 WeakPolarHBondContact CD2-CD2 3.35Å; Y91-H95 AromaticContact CD2-NE2 3.92Å; Y91-H95 AromaticContact CE2-CD2 3Å; Y91-H95 WeakPolarHBondContact CE2-CD2 3.18Å; Y91-H95 AromaticContact CE2-NE2 3.31Å; Y91-H95 VanDerWaalsContact CE2-NE2 3.31Å; Y91-H95 WeakPolarHBondContact CE2-NE2 3.35Å; Y91-H95 AromaticContact CZ-CD2 3.58Å; Y91-H95 PolarHBondContact O-N 3.4Å; Y91-I98 HydrophobicContact CE1-CD1 3.9Å; Y91-R119 VanDerWaalsContact CZ-NH2 3.29Å |
| 92 | D | 58.9 | Low | 57.4 | Low | 57 Ų | 57 | 102.1 Ų | 102.1 | 31% | 0.305 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 176.4 | -162.1 | 38.7 | 0 | 0 | 0 | 111.5 | I88 N89 Q94 H95 H99 | I88-D92 WeakPolarHBondContact O-CB 3.5Å; I88-D92 PolarHBondContact O-N 2.89Å; N89-D92 PolarHBondContact O-N 2.8Å; D92-Q94 VanDerWaalsContact C-N 3.33Å; D92-Q94 PolarHBondContact O-N 2.87Å; D92-H95 CarbonylContact O-C 3.47Å; D92-H95 PolarHBondContact O-N 3.49Å; D92-H99 IonicContact OD1-CD2 3.28Å; D92-H99 PolarHBondContact OD1-CD2 2.99Å; D92-H99 VanDerWaalsContact OD1-CD2 3.28Å; D92-H99 IonicContact OD2-CD2 3.46Å; D92-H99 PolarHBondContact OD2-CD2 2.64Å; D92-H99 IonicContact OD2-NE2 3.56Å |
| 93 | L | 59.4 | Low | 56.4 | Low | 146 Ų | 146 | 103.1 Ų | 103.1 | 76% | 0.764 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.9 | -32.2 | 171.2 | -99.1 | 138.6 | 0 | 0 | 0 | 113.7 | N89 I90 Y91 | N89-L93 WeakPolarHBondContact O-CB 3.42Å; N89-L93 WeakPolarHBondContact O-CD1 3.27Å; N89-L93 PolarHBondContact O-N 3.34Å; I90-L93 PolarHBondContact O-N 2.87Å; Y91-L93 VanDerWaalsContact C-N 3.34Å |
| 94 | Q | 60.6 | Low | 54.8 | Low | 129 Ų | 129 | 103.9 Ų | 103.9 | 60% | 0.603 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -83 | -23.3 | -179.1 | -76.4 | 177.1 | -18.4 | 0 | 0 | 113.2 | I90 Y91 D92 P96 | I90-Q94 HydrophobicContact CG2-CG 4.4Å; I90-Q94 WeakPolarHBondContact O-CB 3.43Å; I90-Q94 VanDerWaalsContact O-CG 3.26Å; I90-Q94 WeakPolarHBondContact O-CG 3.4Å; I90-Q94 PolarHBondContact O-N 2.87Å; Y91-Q94 PolarHBondContact O-N 3.49Å; Y91-Q94 VanDerWaalsContact O-N 3.15Å; D92-Q94 VanDerWaalsContact C-N 3.33Å; D92-Q94 PolarHBondContact O-N 2.87Å; Q94-P96 VanDerWaalsContact C-CD 3.49Å |
| 95 | H | 57.8 | Low | 53.3 | Low | 82 Ų | 82 | 105.9 Ų | 105.9 | 38% | 0.38 | 52% | 0.518 | S | S | . | . | trans | -130.8 | 66 | 179.8 | -60.6 | -79.1 | 0 | 0 | 0 | 111.6 | Y91 D92 E97 I98 | Y91-H95 AromaticContact CD2-CD2 3.43Å; Y91-H95 VanDerWaalsContact CD2-CD2 3.43Å; Y91-H95 WeakPolarHBondContact CD2-CD2 3.35Å; Y91-H95 AromaticContact CD2-NE2 3.92Å; Y91-H95 AromaticContact CE2-CD2 3Å; Y91-H95 WeakPolarHBondContact CE2-CD2 3.18Å; Y91-H95 AromaticContact CE2-NE2 3.31Å; Y91-H95 VanDerWaalsContact CE2-NE2 3.31Å; Y91-H95 WeakPolarHBondContact CE2-NE2 3.35Å; Y91-H95 AromaticContact CZ-CD2 3.58Å; Y91-H95 PolarHBondContact O-N 3.4Å; D92-H95 CarbonylContact O-C 3.47Å; D92-H95 PolarHBondContact O-N 3.49Å; H95-E97 PolarHBondContact O-N 2.77Å; H95-I98 HydrophobicContact CB-CD1 3.57Å; H95-I98 HydrophobicContact CB-CG1 3.89Å; H95-I98 PolarHBondContact O-N 2.92Å; H95-I98 VanDerWaalsContact O-N 3.13Å | ||
| 96 | P | 54.8 | Low | 52.1 | Low | 81 Ų | 81 | 114.1 Ų | 114.1 | 53% | 0.526 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -17.4 | -179.5 | 26.7 | -35 | 0 | 0 | 0 | 113 | Q94 I98 H99 | Q94-P96 VanDerWaalsContact C-CD 3.49Å; P96-I98 VanDerWaalsContact C-N 3.32Å; P96-I98 PolarHBondContact O-N 3.11Å; P96-H99 WeakPolarHBondContact O-CB 3.36Å; P96-H99 PolarHBondContact O-N 3.18Å |
| 97 | E | 51.4 | Low | 51.4 | Low | 168 Ų | 168 | 113.1 Ų | 113.1 | 79% | 0.785 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -28.1 | 177.9 | -57.5 | -175.1 | -165.5 | 0 | 0 | 113.1 | H95 H99 F100 | H95-E97 PolarHBondContact O-N 2.77Å; E97-H99 PolarHBondContact O-N 2.86Å; E97-F100 PolarHBondContact O-N 2.93Å |
| 98 | I | 51.1 | Low | 50.5 | Low | 52 Ų | 52 | 106.9 Ų | 106.9 | 27% | 0.267 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -25.5 | 178.1 | -47.3 | 174.2 | 0 | 0 | 0 | 109.9 | Y91 H95 P96 F100 I101 F102 | Y91-I98 HydrophobicContact CE1-CD1 3.9Å; H95-I98 HydrophobicContact CB-CD1 3.57Å; H95-I98 HydrophobicContact CB-CG1 3.89Å; H95-I98 PolarHBondContact O-N 2.92Å; H95-I98 VanDerWaalsContact O-N 3.13Å; P96-I98 VanDerWaalsContact C-N 3.32Å; P96-I98 PolarHBondContact O-N 3.11Å; I98-F100 PolarHBondContact O-N 3.44Å; I98-F100 VanDerWaalsContact O-N 3.14Å; I98-I101 PolarHBondContact O-N 3.46Å; I98-F102 HydrophobicContact CB-CE2 4.39Å; I98-F102 HydrophobicContact CG2-CD2 3.96Å; I98-F102 HydrophobicContact CG2-CE2 3.49Å; I98-F102 VanDerWaalsContact CG2-CE2 3.49Å; I98-F102 HydrophobicContact CG2-CZ 4.49Å; I98-F102 WeakPolarHBondContact O-CD2 3.26Å; I98-F102 PolarHBondContact O-N 2.88Å |
| 99 | H | 43.8 | Very low | 49.4 | Very low | 100 Ų | 100 | 108.6 Ų | 108.6 | 46% | 0.463 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.1 | -24.3 | 179 | -139.5 | -57.6 | 0 | 0 | 0 | 112.9 | D92 P96 E97 | D92-H99 IonicContact OD1-CD2 3.28Å; D92-H99 PolarHBondContact OD1-CD2 2.99Å; D92-H99 VanDerWaalsContact OD1-CD2 3.28Å; D92-H99 IonicContact OD2-CD2 3.46Å; D92-H99 PolarHBondContact OD2-CD2 2.64Å; D92-H99 IonicContact OD2-NE2 3.56Å; P96-H99 WeakPolarHBondContact O-CB 3.36Å; P96-H99 PolarHBondContact O-N 3.18Å; E97-H99 PolarHBondContact O-N 2.86Å |
| 100 | F | 37.3 | Very low | 48.7 | Very low | 164 Ų | 164 | 109.6 Ų | 109.6 | 72% | 0.719 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -76.3 | -21.6 | 173.5 | -95.2 | -84 | 0 | 0 | 0 | 114.1 | E97 I98 | E97-F100 PolarHBondContact O-N 2.93Å; I98-F100 PolarHBondContact O-N 3.44Å; I98-F100 VanDerWaalsContact O-N 3.14Å |
| 101 | I | 42.9 | Very low | 47.9 | Very low | 118 Ų | 118 | 109.1 Ų | 109.1 | 61% | 0.605 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -83.3 | -26.6 | 174.5 | -54.7 | 174.5 | 0 | 0 | 0 | 110.2 | I98 N104 | I98-I101 PolarHBondContact O-N 3.46Å; I101-N104 VanDerWaalsContact O-O 3.13Å |
| 102 | F | 44.2 | Very low | 47.3 | Very low | 107 Ų | 107 | 110 Ų | 110 | 47% | 0.469 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -75.8 | -19.6 | 179.5 | -80 | -78.2 | 0 | 0 | 0 | 114.7 | I98 I107 | I98-F102 HydrophobicContact CB-CE2 4.39Å; I98-F102 HydrophobicContact CG2-CD2 3.96Å; I98-F102 HydrophobicContact CG2-CE2 3.49Å; I98-F102 VanDerWaalsContact CG2-CE2 3.49Å; I98-F102 HydrophobicContact CG2-CZ 4.49Å; I98-F102 WeakPolarHBondContact O-CD2 3.26Å; I98-F102 PolarHBondContact O-N 2.88Å; F102-I107 HydrophobicContact CD1-CD1 3.31Å; F102-I107 HydrophobicContact CE1-CD1 3.18Å; F102-I107 HydrophobicContact CG-CD1 4.2Å; F102-I107 HydrophobicContact CZ-CD1 4Å |
| 103 | E | 42.6 | Very low | 46.6 | Very low | 124 Ų | 124 | 111.6 Ų | 111.6 | 58% | 0.579 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -82.7 | -17.8 | -176.9 | -136 | 171.1 | -169.3 | 0 | 0 | 112.8 | L2 | L2-E103 WeakPolarHBondContact CD1-OE1 3.42Š|
| 104 | N | 38.3 | Very low | 46 | Very low | 119 Ų | 119 | 109 Ų | 109 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -121.5 | 115 | 176.7 | -72.6 | -28.2 | 0 | 0 | 0 | 109.9 | I101 | I101-N104 VanDerWaalsContact O-O 3.13Š|
| 105 | D | 41.3 | Very low | 45.7 | Very low | 149 Ų | 149 | 107.6 Ų | 107.6 | 80% | 0.797 | 55% | 0.546 | S | S | * | . | S | Bend | trans | 76.1 | 102.4 | 163.1 | -54.4 | -37.5 | 0 | 0 | 0 | 118.5 | I107 | D105-I107 PolarHBondContact O-N 3.01Š|
| 106 | Y | 40 | Very low | 45.1 | Very low | 242 Ų | 242 | 105.2 Ų | 105.2 | 95% | 0.949 | 54% | 0.536 | S | S | * | . | trans | 9.1 | 100.1 | 153.5 | -101.7 | -97 | 0 | 0 | 0 | 116.8 | ||||
| 107 | I | 49 | Very low | 44.9 | Very low | 64 Ų | 64 | 105.3 Ų | 105.3 | 33% | 0.328 | 53% | 0.532 | S | S | . | . | trans | -85.9 | 122 | 167.1 | -65.4 | 168.1 | 0 | 0 | 0 | 108.4 | F102 D105 V111 | F102-I107 HydrophobicContact CD1-CD1 3.31Å; F102-I107 HydrophobicContact CE1-CD1 3.18Å; F102-I107 HydrophobicContact CG-CD1 4.2Å; F102-I107 HydrophobicContact CZ-CD1 4Å; D105-I107 PolarHBondContact O-N 3.01Å; I107-V111 HydrophobicContact CG2-CB 3.81Å; I107-V111 HydrophobicContact CG2-CG1 4Å | ||
| 108 | S | 40.5 | Very low | 44.8 | Very low | 52 Ų | 52 | 101.5 Ų | 101.5 | 36% | 0.364 | 52% | 0.522 | S | S | . | . | trans | -62.4 | 142.2 | 176.2 | 96.7 | 0 | 0 | 0 | 0 | 110 | T110 V111 L112 | S108-T110 PolarHBondContact O-N 3.4Å; S108-T110 WeakPolarHBondContact OG-CB 3.17Å; S108-T110 PolarHBondContact OG-N 3.41Å; S108-T110 PolarHBondContact OG-OG1 2.97Å; S108-V111 PolarHBondContact O-N 2.96Å; S108-L112 PolarHBondContact O-N 2.89Å | ||
| 109 | P | 43.2 | Very low | 44.5 | Very low | 104 Ų | 104 | 105.9 Ų | 105.9 | 68% | 0.675 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -54.9 | -23.7 | 178 | 18.6 | -29.7 | 0 | 0 | 0 | 112.3 | L112 F113 | P109-L112 PolarHBondContact O-N 3.46Å; P109-F113 WeakPolarHBondContact O-CB 3.47Å; P109-F113 PolarHBondContact O-N 3.37Å |
| 110 | T | 42.9 | Very low | 44.6 | Very low | 95 Ų | 95 | 105.1 Ų | 105.1 | 58% | 0.583 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.1 | -42.7 | 173.7 | -29.1 | 0 | 0 | 0 | 0 | 112.5 | S108 F113 T114 | S108-T110 PolarHBondContact O-N 3.4Å; S108-T110 WeakPolarHBondContact OG-CB 3.17Å; S108-T110 PolarHBondContact OG-N 3.41Å; S108-T110 PolarHBondContact OG-OG1 2.97Å; T110-F113 PolarHBondContact O-N 3.46Å; T110-T114 WeakPolarHBondContact O-CB 3.48Å; T110-T114 PolarHBondContact O-N 3.15Å; T110-T114 PolarHBondContact O-OG1 3.27Å |
| 111 | V | 45.7 | Very low | 44.7 | Very low | 70 Ų | 70 | 100.8 Ų | 100.8 | 42% | 0.424 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71.1 | -38.5 | 178.5 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | I107 S108 F113 T114 I115 | I107-V111 HydrophobicContact CG2-CB 3.81Å; I107-V111 HydrophobicContact CG2-CG1 4Å; S108-V111 PolarHBondContact O-N 2.96Å; V111-F113 VanDerWaalsContact C-N 3.31Å; V111-F113 PolarHBondContact O-N 3.45Å; V111-T114 PolarHBondContact O-N 2.98Å; V111-I115 HydrophobicContact CG1-CD1 3.79Å; V111-I115 HydrophobicContact CG1-CG1 4.37Å; V111-I115 WeakPolarHBondContact O-CG1 3.38Å; V111-I115 PolarHBondContact O-N 3.32Å |
| 112 | L | 47.6 | Very low | 44.9 | Very low | 87 Ų | 87 | 98.8 Ų | 98.8 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.6 | -47.1 | 171.3 | -158.1 | 83.6 | 0 | 0 | 0 | 110.1 | S108 P109 T114 L116 | S108-L112 PolarHBondContact O-N 2.89Å; P109-L112 PolarHBondContact O-N 3.46Å; L112-T114 PolarHBondContact O-N 2.9Å; L112-L116 HydrophobicContact CD2-CD1 4.23Å; L112-L116 HydrophobicContact CG-CD1 3.91Å; L112-L116 WeakPolarHBondContact O-CB 3.36Å; L112-L116 WeakPolarHBondContact O-CD1 3.32Å; L112-L116 WeakPolarHBondContact O-CG 2.85Å; L112-L116 PolarHBondContact O-N 3.49Å |
| 113 | F | 45.2 | Very low | 44.8 | Very low | 90 Ų | 90 | 97.6 Ų | 97.6 | 40% | 0.395 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 176.5 | -124.8 | -96.7 | 0 | 0 | 0 | 113.2 | P109 T110 V111 L116 L117 A144 | P109-F113 WeakPolarHBondContact O-CB 3.47Å; P109-F113 PolarHBondContact O-N 3.37Å; T110-F113 PolarHBondContact O-N 3.46Å; V111-F113 VanDerWaalsContact C-N 3.31Å; V111-F113 PolarHBondContact O-N 3.45Å; F113-L116 PolarHBondContact O-N 2.97Å; F113-L117 HydrophobicContact CD1-CD1 3.46Å; F113-L117 VanDerWaalsContact CD1-CD1 3.46Å; F113-L117 HydrophobicContact CE1-CD1 3.93Å; F113-L117 WeakPolarHBondContact O-CB 3.28Å; F113-L117 WeakPolarHBondContact O-CD1 3.33Å; F113-L117 PolarHBondContact O-N 3.4Å; F113-A144 HydrophobicContact CE1-CB 4.24Å |
| 114 | T | 46.6 | Very low | 44.8 | Very low | 91 Ų | 91 | 96.9 Ų | 96.9 | 56% | 0.558 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -74.8 | -31.9 | -177.7 | -47 | 0 | 0 | 0 | 0 | 111.9 | T110 V111 L112 P118 | T110-T114 WeakPolarHBondContact O-CB 3.48Å; T110-T114 PolarHBondContact O-N 3.15Å; T110-T114 PolarHBondContact O-OG1 3.27Å; V111-T114 PolarHBondContact O-N 2.98Å; L112-T114 PolarHBondContact O-N 2.9Å; T114-P118 WeakPolarHBondContact O-CD 3.41Å |
| 115 | I | 52.7 | Low | 45 | Very low | 100 Ų | 100 | 95.7 Ų | 95.7 | 51% | 0.513 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -76 | -29.7 | 170.8 | -64.2 | 169.1 | 0 | 0 | 0 | 110.8 | V111 | V111-I115 HydrophobicContact CG1-CD1 3.79Å; V111-I115 HydrophobicContact CG1-CG1 4.37Å; V111-I115 WeakPolarHBondContact O-CG1 3.38Å; V111-I115 PolarHBondContact O-N 3.32Å |
| 116 | L | 47.1 | Very low | 45 | Very low | 33 Ų | 33 | 94.9 Ų | 94.9 | 17% | 0.173 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -80.1 | -32.2 | 178.7 | -76.6 | 165.3 | 0 | 0 | 0 | 113.9 | W84 I88 L112 F113 R119 L120 | W84-L116 HydrophobicContact CZ2-CD1 3.84Å; W84-L116 HydrophobicContact CZ2-CD2 3.64Å; W84-L116 HydrophobicContact CZ2-CG 4.43Å; I88-L116 HydrophobicContact CD1-CD2 4.45Å; L112-L116 HydrophobicContact CD2-CD1 4.23Å; L112-L116 HydrophobicContact CG-CD1 3.91Å; L112-L116 WeakPolarHBondContact O-CB 3.36Å; L112-L116 WeakPolarHBondContact O-CD1 3.32Å; L112-L116 WeakPolarHBondContact O-CG 2.85Å; L112-L116 PolarHBondContact O-N 3.49Å; F113-L116 PolarHBondContact O-N 2.97Å; L116-R119 PolarHBondContact O-N 3.45Å; L116-L120 PolarHBondContact O-N 2.87Å |
| 117 | L | 50.5 | Low | 44.9 | Very low | 82 Ų | 82 | 86 Ų | 86 | 43% | 0.429 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -57.7 | -43.9 | -176.7 | -124.4 | 93.5 | 0 | 0 | 0 | 114 | F113 R119 L120 | F113-L117 HydrophobicContact CD1-CD1 3.46Å; F113-L117 VanDerWaalsContact CD1-CD1 3.46Å; F113-L117 HydrophobicContact CE1-CD1 3.93Å; F113-L117 WeakPolarHBondContact O-CB 3.28Å; F113-L117 WeakPolarHBondContact O-CD1 3.33Å; F113-L117 PolarHBondContact O-N 3.4Å; L117-R119 PolarHBondContact O-N 3.41Å; L117-L120 PolarHBondContact O-N 3.46Å |
| 118 | P | 47.8 | Very low | 44.5 | Very low | 89 Ų | 89 | 94.4 Ų | 94.4 | 58% | 0.578 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -64.9 | -21.5 | 177.6 | -20 | 30.8 | 0 | 0 | 0 | 113 | T114 A121 | T114-P118 WeakPolarHBondContact O-CD 3.41Å; P118-A121 WeakPolarHBondContact O-CB 3.47Å; P118-A121 PolarHBondContact O-N 2.87Å |
| 119 | R | 44.7 | Very low | 44.6 | Very low | 143 Ų | 143 | 100.5 Ų | 100.5 | 54% | 0.54 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -92.8 | -13.4 | -178.4 | -64.9 | -163.1 | 174 | -175.5 | -1.3 | 114.3 | Y91 L116 L117 | Y91-R119 VanDerWaalsContact CZ-NH2 3.29Å; L116-R119 PolarHBondContact O-N 3.45Å; L117-R119 PolarHBondContact O-N 3.41Å |
| 120 | L | 45.6 | Very low | 44.3 | Very low | 85 Ų | 85 | 98.7 Ų | 98.7 | 45% | 0.445 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -81.8 | -1 | 161.8 | -87.3 | 158.8 | 0 | 0 | 0 | 112.4 | L116 L117 I122 | L116-L120 PolarHBondContact O-N 2.87Å; L117-L120 PolarHBondContact O-N 3.46Å; L120-I122 PolarHBondContact O-N 3.13Å |
| 121 | A | 41.3 | Very low | 44.5 | Very low | 72 Ų | 72 | 100.1 Ų | 100.1 | 60% | 0.595 | 54% | 0.544 | S | S | * | . | trans | -64.7 | 85.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | P118 | P118-A121 WeakPolarHBondContact O-CB 3.47Å; P118-A121 PolarHBondContact O-N 2.87Å | ||
| 122 | I | 46.4 | Very low | 44.2 | Very low | 76 Ų | 76 | 102.2 Ų | 102.2 | 39% | 0.39 | 55% | 0.549 | S | S | . | . | trans | -36 | 130.5 | 159.9 | -65.6 | 158.6 | 0 | 0 | 0 | 106.7 | L120 S124 L126 F127 | L120-I122 PolarHBondContact O-N 3.13Å; I122-S124 PolarHBondContact O-N 2.85Å; I122-S124 VanDerWaalsContact O-N 3.12Å; I122-L126 HydrophobicContact CG2-CB 3.84Å; I122-L126 HydrophobicContact CG2-CD1 3.63Å; I122-L126 HydrophobicContact CG2-CG 4.38Å; I122-F127 HydrophobicContact CB-CD2 4.28Å; I122-F127 HydrophobicContact CB-CE2 3.79Å; I122-F127 HydrophobicContact CD1-CE2 3.69Å; I122-F127 HydrophobicContact CD1-CZ 4.12Å; I122-F127 HydrophobicContact CG1-CE2 4.34Å; I122-F127 HydrophobicContact CG2-CD2 4.07Å; I122-F127 HydrophobicContact CG2-CE2 3.73Å | ||
| 123 | P | 41.3 | Very low | 44 | Very low | 83 Ų | 83 | 100.5 Ų | 100.5 | 54% | 0.539 | 54% | 0.544 | S | S | . | . | trans | -49.9 | 128.7 | -174.5 | 21 | -32.5 | 0 | 0 | 0 | 108.5 | S125 L126 | P123-S125 PolarHBondContact O-N 3.26Å; P123-L126 HydrophobicContact CG-CD1 4.35Å; P123-L126 PolarHBondContact O-N 2.99Å | ||
| 124 | S | 42.3 | Very low | 43.8 | Very low | 109 Ų | 109 | 105.1 Ų | 105.1 | 76% | 0.762 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -54.8 | -9.6 | -176.3 | 47.6 | 0 | 0 | 0 | 0 | 113.6 | I122 L126 F127 | I122-S124 PolarHBondContact O-N 2.85Å; I122-S124 VanDerWaalsContact O-N 3.12Å; S124-L126 VanDerWaalsContact C-N 3.32Å; S124-L126 PolarHBondContact O-N 3.47Å; S124-F127 PolarHBondContact O-N 3.44Å |
| 125 | S | 43.2 | Very low | 43.7 | Very low | 94 Ų | 94 | 106.4 Ų | 106.4 | 66% | 0.657 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -63.6 | -28 | 168 | 59.6 | 0 | 0 | 0 | 0 | 114.4 | P123 | P123-S125 PolarHBondContact O-N 3.26Š|
| 126 | L | 40.7 | Very low | 43.4 | Very low | 131 Ų | 131 | 104.7 Ų | 104.7 | 69% | 0.686 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -85.4 | -12.9 | 178.3 | -80.6 | 162.7 | 0 | 0 | 0 | 113.6 | I122 P123 S124 | I122-L126 HydrophobicContact CG2-CB 3.84Å; I122-L126 HydrophobicContact CG2-CD1 3.63Å; I122-L126 HydrophobicContact CG2-CG 4.38Å; P123-L126 HydrophobicContact CG-CD1 4.35Å; P123-L126 PolarHBondContact O-N 2.99Å; S124-L126 VanDerWaalsContact C-N 3.32Å; S124-L126 PolarHBondContact O-N 3.47Å |
| 127 | F | 39.2 | Very low | 43.2 | Very low | 57 Ų | 57 | 108.9 Ų | 108.9 | 25% | 0.25 | 57% | 0.571 | C | S | . | * | G | 310 helix | trans | -110.5 | 26.7 | -177.3 | -78.9 | -76.4 | 0 | 0 | 0 | 114 | I122 S124 K129 I136 | I122-F127 HydrophobicContact CB-CD2 4.28Å; I122-F127 HydrophobicContact CB-CE2 3.79Å; I122-F127 HydrophobicContact CD1-CE2 3.69Å; I122-F127 HydrophobicContact CD1-CZ 4.12Å; I122-F127 HydrophobicContact CG1-CE2 4.34Å; I122-F127 HydrophobicContact CG2-CD2 4.07Å; I122-F127 HydrophobicContact CG2-CE2 3.73Å; S124-F127 PolarHBondContact O-N 3.44Å; F127-K129 PolarHBondContact O-N 3.08Å; F127-I136 HydrophobicContact CE1-CD1 3.81Å; F127-I136 HydrophobicContact CZ-CD1 3.61Å |
| 128 | R | 39.4 | Very low | 42.9 | Very low | 239 Ų | 239 | 111.4 Ų | 111.4 | 90% | 0.902 | 58% | 0.583 | S | S | * | * | trans | -71.5 | 31.7 | 171.9 | -152 | 179.9 | -176.5 | -176.6 | 0.9 | 113.7 | ||||
| 129 | K | 42.4 | Very low | 42.8 | Very low | 181 Ų | 181 | 112.8 Ų | 112.8 | 79% | 0.787 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -139.2 | 67.3 | 170.8 | -116.3 | -179.9 | -179.9 | -179.6 | 0 | 110.3 | F127 N131 | F127-K129 PolarHBondContact O-N 3.08Å; K129-N131 VanDerWaalsContact C-N 3.27Å; K129-N131 PolarHBondContact O-N 3.01Å |
| 130 | G | 37.9 | Very low | 42.5 | Very low | 65 Ų | 65 | 110.7 Ų | 110.7 | 67% | 0.67 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 42.1 | -33.3 | 147.5 | 0 | 0 | 0 | 0 | 0 | 124 | ||
| 131 | N | 47 | Very low | 42.2 | Very low | 126 Ų | 126 | 110.1 Ų | 110.1 | 67% | 0.674 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.3 | -21.5 | -167.2 | -84.2 | -17.6 | 0 | 0 | 0 | 115.9 | K129 | K129-N131 VanDerWaalsContact C-N 3.27Å; K129-N131 PolarHBondContact O-N 3.01Å |
| 132 | H | 40 | Very low | 42.1 | Very low | 113 Ų | 113 | 110.1 Ų | 110.1 | 52% | 0.523 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -83.3 | -21.9 | -176 | -69.8 | -57.2 | 0 | 0 | 0 | 114.7 | R134 Q135 I136 | H132-R134 VanDerWaalsContact C-N 3.26Å; H132-R134 PolarHBondContact O-N 3.37Å; H132-Q135 PolarHBondContact ND1-OE1 2.97Å; H132-Q135 PolarHBondContact O-N 2.97Å; H132-I136 PolarHBondContact O-N 3.29Å |
| 133 | S | 43 | Very low | 41.9 | Very low | 51 Ų | 51 | 111.3 Ų | 111.3 | 36% | 0.357 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62 | -34.7 | 176.1 | 48.5 | 0 | 0 | 0 | 0 | 112.2 | L137 | S133-L137 WeakPolarHBondContact O-CB 3.4Å; S133-L137 PolarHBondContact O-N 2.9Å; S133-L137 VanDerWaalsContact O-N 3.11Å |
| 134 | R | 41.7 | Very low | 41.8 | Very low | 188 Ų | 188 | 110.1 Ų | 110.1 | 71% | 0.709 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.9 | -36.3 | 176.5 | -81.8 | -176.7 | 169.2 | 177 | -3.3 | 113.2 | H132 L137 M138 | H132-R134 VanDerWaalsContact C-N 3.26Å; H132-R134 PolarHBondContact O-N 3.37Å; R134-L137 PolarHBondContact O-N 3.4Å; R134-M138 PolarHBondContact O-N 3.37Å |
| 135 | Q | 44.2 | Very low | 41.5 | Very low | 117 Ų | 117 | 110.8 Ų | 110.8 | 55% | 0.547 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -72.3 | -39.4 | 179.9 | -73.8 | 176.6 | -26.5 | 0 | 0 | 112.1 | H132 L137 M138 L139 | H132-Q135 PolarHBondContact ND1-OE1 2.97Å; H132-Q135 PolarHBondContact O-N 2.97Å; Q135-L137 VanDerWaalsContact C-N 3.33Å; Q135-M138 PolarHBondContact O-N 3.16Å; Q135-L139 PolarHBondContact O-N 3.06Å |
| 136 | I | 45.6 | Very low | 41 | Very low | 65 Ų | 65 | 114.6 Ų | 114.6 | 33% | 0.333 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.8 | -38.9 | 175.7 | -68 | 168 | 0 | 0 | 0 | 110.1 | F127 H132 M138 L139 F140 | F127-I136 HydrophobicContact CE1-CD1 3.81Å; F127-I136 HydrophobicContact CZ-CD1 3.61Å; H132-I136 PolarHBondContact O-N 3.29Å; I136-M138 PolarHBondContact O-N 3.07Å; I136-L139 PolarHBondContact O-N 3.36Å; I136-F140 HydrophobicContact CG2-CD2 3.93Å; I136-F140 HydrophobicContact CG2-CE2 3.79Å; I136-F140 VanDerWaalsContact O-CD2 3.26Å; I136-F140 WeakPolarHBondContact O-CD2 3.25Å; I136-F140 PolarHBondContact O-N 2.96Å; I136-F140 VanDerWaalsContact O-N 3.17Å |
| 137 | L | 42.4 | Very low | 41.1 | Very low | 120 Ų | 120 | 113.8 Ų | 113.8 | 63% | 0.628 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.4 | -41.5 | 174.8 | -157.1 | 88.3 | 0 | 0 | 0 | 112.7 | S133 R134 Q135 F140 S141 | S133-L137 WeakPolarHBondContact O-CB 3.4Å; S133-L137 PolarHBondContact O-N 2.9Å; S133-L137 VanDerWaalsContact O-N 3.11Å; R134-L137 PolarHBondContact O-N 3.4Å; Q135-L137 VanDerWaalsContact C-N 3.33Å; L137-F140 PolarHBondContact O-N 3.46Å; L137-S141 PolarHBondContact O-N 3.08Å |
| 138 | M | 44.8 | Very low | 41.2 | Very low | 135 Ų | 135 | 116.8 Ų | 116.8 | 67% | 0.665 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.6 | -35.5 | 175.6 | -80.6 | -177.4 | -173.8 | 0 | 0 | 113.3 | R134 Q135 I136 F140 S141 S142 | R134-M138 PolarHBondContact O-N 3.37Å; Q135-M138 PolarHBondContact O-N 3.16Å; I136-M138 PolarHBondContact O-N 3.07Å; M138-F140 VanDerWaalsContact C-N 3.35Å; M138-S141 PolarHBondContact O-N 3.46Å; M138-S141 PolarHBondContact O-OG 2.96Å; M138-S142 PolarHBondContact O-N 3.29Å; M138-S142 VanDerWaalsContact O-N 3.14Å |
| 139 | L | 45.1 | Very low | 41.3 | Very low | 118 Ų | 118 | 110 Ų | 110 | 62% | 0.618 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.7 | -39.8 | 175.7 | -89.9 | 156.7 | 0 | 0 | 0 | 111.5 | Q135 I136 S142 V143 | Q135-L139 PolarHBondContact O-N 3.06Å; I136-L139 PolarHBondContact O-N 3.36Å; L139-S142 PolarHBondContact O-N 2.85Å; L139-V143 WeakPolarHBondContact O-CG2 3.29Å; L139-V143 PolarHBondContact O-N 3Å |
| 140 | F | 39.2 | Very low | 41.2 | Very low | 100 Ų | 100 | 105.8 Ų | 105.8 | 44% | 0.439 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68.9 | -35.4 | 176.1 | -82.9 | -73.1 | 0 | 0 | 0 | 113.2 | I136 L137 M138 S142 V143 A144 | I136-F140 HydrophobicContact CG2-CD2 3.93Å; I136-F140 HydrophobicContact CG2-CE2 3.79Å; I136-F140 VanDerWaalsContact O-CD2 3.26Å; I136-F140 WeakPolarHBondContact O-CD2 3.25Å; I136-F140 PolarHBondContact O-N 2.96Å; I136-F140 VanDerWaalsContact O-N 3.17Å; L137-F140 PolarHBondContact O-N 3.46Å; M138-F140 VanDerWaalsContact C-N 3.35Å; F140-S142 VanDerWaalsContact C-N 3.32Å; F140-S142 PolarHBondContact O-N 3.18Å; F140-V143 PolarHBondContact O-N 3.12Å; F140-A144 PolarHBondContact O-N 2.67Å |
| 141 | S | 38.9 | Very low | 41.4 | Very low | 72 Ų | 72 | 108.4 Ų | 108.4 | 50% | 0.503 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.6 | -31.5 | 175.7 | 62.8 | 0 | 0 | 0 | 0 | 112.9 | L137 M138 T145 | L137-S141 PolarHBondContact O-N 3.08Å; M138-S141 PolarHBondContact O-N 3.46Å; M138-S141 PolarHBondContact O-OG 2.96Å; S141-T145 PolarHBondContact O-OG1 3.3Å |
| 142 | S | 39.7 | Very low | 41 | Very low | 72 Ų | 72 | 107.2 Ų | 107.2 | 50% | 0.503 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -70.1 | -31.7 | 175.8 | 176.4 | 0 | 0 | 0 | 0 | 113 | M138 L139 F140 T145 | M138-S142 PolarHBondContact O-N 3.29Å; M138-S142 VanDerWaalsContact O-N 3.14Å; L139-S142 PolarHBondContact O-N 2.85Å; F140-S142 VanDerWaalsContact C-N 3.32Å; F140-S142 PolarHBondContact O-N 3.18Å; S142-T145 PolarHBondContact O-OG1 3.22Å |
| 143 | V | 43.1 | Very low | 41.1 | Very low | 102 Ų | 102 | 106.8 Ų | 106.8 | 62% | 0.618 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -78.6 | -28.1 | 179.4 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | L139 F140 T145 | L139-V143 WeakPolarHBondContact O-CG2 3.29Å; L139-V143 PolarHBondContact O-N 3Å; F140-V143 PolarHBondContact O-N 3.12Å; V143-T145 PolarHBondContact O-N 3.43Å |
| 144 | A | 37.8 | Very low | 41 | Very low | 58 Ų | 58 | 111.1 Ų | 111.1 | 48% | 0.479 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.7 | -8.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | F113 F140 | F113-A144 HydrophobicContact CE1-CB 4.24Å; F140-A144 PolarHBondContact O-N 2.67Å |
| 145 | T | 36.3 | Very low | 40.9 | Very low | 122 Ų | 122 | 104.7 Ų | 104.7 | 75% | 0.748 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | 3.2 | -176.5 | 42.8 | 0 | 0 | 0 | 0 | 114 | S141 S142 V143 | S141-T145 PolarHBondContact O-OG1 3.3Å; S142-T145 PolarHBondContact O-OG1 3.22Å; V143-T145 PolarHBondContact O-N 3.43Å |
| 146 | C | 33.6 | Very low | 40.6 | Very low | 175 Ų | 175 | 103.5 Ų | 103.5 | 100% | 1.182 | 61% | 0.611 | S | S | * | * | trans | -109 | 0 | 175.1 | -152.1 | 0 | 0 | 0 | 0 | 109.1 |
Retrieved 146 of 146 residues in 222.2 ms
(Link to these results)