| 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 | 40.6 | Very low | 44.4 | Very low | 231 Ų | 231 | 108 Ų | 108 | 100% | 1.138 | 70% | 0.697 | S | S | * | * | 0 | 93.8 | 0 | -76.5 | 168.8 | 171.6 | 0 | 0 | 106 | A3 | M1-A3 PolarHBondContact O-N 3.14Š| |||
| 2 | D | 41 | Very low | 44.8 | Very low | 164 Ų | 164 | 115.5 Ų | 115.5 | 88% | 0.877 | 70% | 0.701 | S | S | * | * | trans | -69 | 113.8 | -156.7 | -53.5 | -75 | 0 | 0 | 0 | 110.4 | G4 | D2-G4 PolarHBondContact O-N 3.14Š| ||
| 3 | A | 40.6 | Very low | 45.1 | Very low | 103 Ų | 103 | 113.3 Ų | 113.3 | 85% | 0.851 | 67% | 0.674 | S | S | * | * | trans | -68.5 | 106.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | M1 T5 | M1-A3 PolarHBondContact O-N 3.14Å; A3-T5 PolarHBondContact O-N 3.34Å | ||
| 4 | G | 38.8 | Very low | 45.4 | Very low | 65 Ų | 65 | 109.6 Ų | 109.6 | 67% | 0.67 | 66% | 0.661 | S | S | * | * | trans | -46.1 | 128.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D2 S6 | D2-G4 PolarHBondContact O-N 3.14Å; G4-S6 PolarHBondContact O-N 3.2Å | ||
| 5 | T | 46.8 | Very low | 45.7 | Very low | 144 Ų | 144 | 106.7 Ų | 106.7 | 88% | 0.883 | 65% | 0.654 | S | S | * | * | trans | -26.6 | 86.4 | 151.2 | -51.8 | 0 | 0 | 0 | 0 | 113.7 | A3 | A3-T5 PolarHBondContact O-N 3.34Š| ||
| 6 | S | 43.1 | Very low | 45.6 | Very low | 112 Ų | 112 | 102.8 Ų | 102.8 | 78% | 0.783 | 63% | 0.632 | S | S | * | * | trans | -112.6 | 64.3 | 158.2 | 69 | 0 | 0 | 0 | 0 | 108.8 | G4 G8 | G4-S6 PolarHBondContact O-N 3.2Å; S6-G8 VanDerWaalsContact C-N 3.29Å; S6-G8 PolarHBondContact O-N 3.21Å | ||
| 7 | A | 45.8 | Very low | 45.9 | Very low | 56 Ų | 56 | 102.1 Ų | 102.1 | 46% | 0.463 | 63% | 0.627 | S | S | . | * | trans | -65.5 | 93.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 8 | G | 45.1 | Very low | 45.9 | Very low | 33 Ų | 33 | 100.6 Ų | 100.6 | 34% | 0.34 | 62% | 0.619 | S | S | . | * | trans | -57.7 | 164.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S6 L10 S11 | S6-G8 VanDerWaalsContact C-N 3.29Å; S6-G8 PolarHBondContact O-N 3.21Å; G8-L10 PolarHBondContact O-N 3.35Å; G8-L10 VanDerWaalsContact O-N 3.09Å; G8-S11 WeakPolarHBondContact O-CA 3.31Å; G8-S11 VanDerWaalsContact O-CB 3.29Å; G8-S11 WeakPolarHBondContact O-CB 3.44Å; G8-S11 PolarHBondContact O-N 3.19Å | ||
| 9 | P | 51.6 | Low | 46.2 | Very low | 69 Ų | 69 | 99.8 Ų | 99.8 | 45% | 0.448 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -54.1 | -33.7 | 179.1 | 18.9 | -29.4 | 0 | 0 | 0 | 112.2 | S11 R12 Y13 | P9-S11 VanDerWaalsContact C-N 3.3Å; P9-S11 PolarHBondContact O-N 3.24Å; P9-R12 PolarHBondContact O-N 3.39Å; P9-Y13 VanDerWaalsContact C-CE2 3.45Å; P9-Y13 HydrophobicContact CB-CE2 4.01Å; P9-Y13 WeakPolarHBondContact O-CD2 3.45Å; P9-Y13 WeakPolarHBondContact O-CE2 3.31Å; P9-Y13 PolarHBondContact O-N 3.3Å |
| 10 | L | 50.1 | Low | 46.2 | Very low | 149 Ų | 149 | 99.5 Ų | 99.5 | 78% | 0.78 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -59 | -30.7 | 170.8 | -108.5 | 122.1 | 0 | 0 | 0 | 115.2 | G8 A14 | G8-L10 PolarHBondContact O-N 3.35Å; G8-L10 VanDerWaalsContact O-N 3.09Å; L10-A14 WeakPolarHBondContact O-CB 3.22Å; L10-A14 PolarHBondContact O-N 3.25Å |
| 11 | S | 45 | Very low | 46.2 | Very low | 62 Ų | 62 | 103 Ų | 103 | 43% | 0.434 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -75.9 | -31.6 | 178.8 | -175.4 | 0 | 0 | 0 | 0 | 112.2 | G8 P9 A14 A15 | G8-S11 WeakPolarHBondContact O-CA 3.31Å; G8-S11 VanDerWaalsContact O-CB 3.29Å; G8-S11 WeakPolarHBondContact O-CB 3.44Å; G8-S11 PolarHBondContact O-N 3.19Å; P9-S11 VanDerWaalsContact C-N 3.3Å; P9-S11 PolarHBondContact O-N 3.24Å; S11-A14 PolarHBondContact O-N 3.05Å; S11-A15 PolarHBondContact O-N 2.87Å |
| 12 | R | 49.9 | Very low | 46.7 | Very low | 198 Ų | 198 | 96.5 Ų | 96.5 | 75% | 0.747 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70.8 | -34.7 | 171.2 | -72.7 | -165.6 | -169.5 | -176.9 | 4.3 | 112.3 | P9 A15 C16 | P9-R12 PolarHBondContact O-N 3.39Å; R12-A15 PolarHBondContact O-N 3.29Å; R12-C16 PolarHBondContact O-N 2.93Å |
| 13 | Y | 48.6 | Very low | 46.9 | Very low | 87 Ų | 87 | 91.4 Ų | 91.4 | 34% | 0.341 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.9 | -40.3 | 170.9 | -54.5 | -53.4 | 0 | 0 | 0 | 111.8 | P9 A15 C16 V17 Q73 | P9-Y13 VanDerWaalsContact C-CE2 3.45Å; P9-Y13 HydrophobicContact CB-CE2 4.01Å; P9-Y13 WeakPolarHBondContact O-CD2 3.45Å; P9-Y13 WeakPolarHBondContact O-CE2 3.31Å; P9-Y13 PolarHBondContact O-N 3.3Å; Y13-A15 VanDerWaalsContact C-N 3.26Å; Y13-A15 PolarHBondContact O-N 3.24Å; Y13-C16 WeakPolarHBondContact O-CA 3.4Å; Y13-C16 WeakPolarHBondContact O-CB 3.41Å; Y13-C16 PolarHBondContact O-N 2.94Å; Y13-V17 WeakPolarHBondContact O-CG2 3.29Å; Y13-V17 PolarHBondContact O-N 2.96Å; Y13-Q73 HydrophobicContact CE1-CG 4.12Å; Y13-Q73 HydrophobicContact CE2-CG 4.16Å; Y13-Q73 VanDerWaalsContact CE2-OE1 3.29Å; Y13-Q73 VanDerWaalsContact CZ-CG 3.49Å; Y13-Q73 VanDerWaalsContact CZ-OE1 3.29Å; Y13-Q73 WeakPolarHBondContact OH-CG 3.45Å; Y13-Q73 PolarHBondContact OH-NE2 2.96Å |
| 14 | A | 48.6 | Very low | 47.4 | Very low | 61 Ų | 61 | 95.8 Ų | 95.8 | 50% | 0.504 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.2 | -27.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L10 S11 P18 | L10-A14 WeakPolarHBondContact O-CB 3.22Å; L10-A14 PolarHBondContact O-N 3.25Å; S11-A14 PolarHBondContact O-N 3.05Å; A14-P18 WeakPolarHBondContact O-CD 3.44Å |
| 15 | A | 49.4 | Very low | 47.8 | Very low | 66 Ų | 66 | 97.5 Ų | 97.5 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -77.9 | -21.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S11 R12 Y13 P18 T19 | S11-A15 PolarHBondContact O-N 2.87Å; R12-A15 PolarHBondContact O-N 3.29Å; Y13-A15 VanDerWaalsContact C-N 3.26Å; Y13-A15 PolarHBondContact O-N 3.24Å; A15-P18 WeakPolarHBondContact O-CD 2.89Å; A15-P18 WeakPolarHBondContact O-CG 3.38Å; A15-T19 PolarHBondContact O-OG1 3.49Å |
| 16 | C | 45.1 | Very low | 48.1 | Very low | 45 Ų | 45 | 96.3 Ų | 96.3 | 30% | 0.304 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -82 | -28.2 | 173.2 | -163.1 | 0 | 0 | 0 | 0 | 112.7 | R12 Y13 T19 V20 | R12-C16 PolarHBondContact O-N 2.93Å; Y13-C16 WeakPolarHBondContact O-CA 3.4Å; Y13-C16 WeakPolarHBondContact O-CB 3.41Å; Y13-C16 PolarHBondContact O-N 2.94Å; C16-T19 VanDerWaalsContact C-OG1 3.26Å; C16-T19 VanDerWaalsContact CA-OG1 3.25Å; C16-T19 WeakPolarHBondContact CA-OG1 3.5Å; C16-T19 PolarHBondContact O-N 3.33Å; C16-T19 PolarHBondContact O-OG1 3.42Å; C16-V20 WeakPolarHBondContact O-CG2 3.02Å; C16-V20 PolarHBondContact O-N 3.28Å; C16-V20 VanDerWaalsContact O-N 3.08Å |
| 17 | V | 50.6 | Low | 48.4 | Very low | 90 Ų | 90 | 94.8 Ų | 94.8 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59 | -43.1 | 177.1 | 171.7 | 0 | 0 | 0 | 0 | 114.2 | Y13 T19 V20 R21 | Y13-V17 WeakPolarHBondContact O-CG2 3.29Å; Y13-V17 PolarHBondContact O-N 2.96Å; V17-T19 VanDerWaalsContact C-N 3.32Å; V17-T19 PolarHBondContact O-N 3.33Å; V17-V20 PolarHBondContact O-N 3.47Å; V17-R21 PolarHBondContact O-N 3.28Å |
| 18 | P | 45.7 | Very low | 48.8 | Very low | 75 Ų | 75 | 95.5 Ų | 95.5 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.9 | -29.3 | 175.2 | 25.1 | -33.2 | 0 | 0 | 0 | 112.6 | A14 A15 R21 E22 | A14-P18 WeakPolarHBondContact O-CD 3.44Å; A15-P18 WeakPolarHBondContact O-CD 2.89Å; A15-P18 WeakPolarHBondContact O-CG 3.38Å; P18-R21 PolarHBondContact O-N 2.84Å; P18-E22 PolarHBondContact O-N 3.07Å |
| 19 | T | 51.3 | Low | 49.2 | Very low | 86 Ų | 86 | 99.6 Ų | 99.6 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.3 | -38 | 173.7 | 19.1 | 0 | 0 | 0 | 0 | 112.1 | A15 C16 V17 R21 E22 S23 | A15-T19 PolarHBondContact O-OG1 3.49Å; C16-T19 VanDerWaalsContact C-OG1 3.26Å; C16-T19 VanDerWaalsContact CA-OG1 3.25Å; C16-T19 WeakPolarHBondContact CA-OG1 3.5Å; C16-T19 PolarHBondContact O-N 3.33Å; C16-T19 PolarHBondContact O-OG1 3.42Å; V17-T19 VanDerWaalsContact C-N 3.32Å; V17-T19 PolarHBondContact O-N 3.33Å; T19-R21 VanDerWaalsContact C-N 3.34Å; T19-E22 WeakPolarHBondContact O-CB 3.46Å; T19-E22 PolarHBondContact O-N 3.4Å; T19-S23 PolarHBondContact O-N 3.01Å |
| 20 | V | 47.5 | Very low | 49.4 | Very low | 94 Ų | 94 | 100.5 Ų | 100.5 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -71.9 | -28.5 | 173 | -149.1 | 0 | 0 | 0 | 0 | 112.4 | C16 V17 E22 S23 | C16-V20 WeakPolarHBondContact O-CG2 3.02Å; C16-V20 PolarHBondContact O-N 3.28Å; C16-V20 VanDerWaalsContact O-N 3.08Å; V17-V20 PolarHBondContact O-N 3.47Å; V20-E22 VanDerWaalsContact C-N 3.31Å; V20-S23 PolarHBondContact O-N 3.3Å |
| 21 | R | 46.1 | Very low | 49.5 | Very low | 172 Ų | 172 | 99.5 Ų | 99.5 | 65% | 0.649 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -70.7 | -27.7 | 173.4 | -174.2 | 171.9 | -76.2 | -149.9 | -1.5 | 112 | V17 P18 T19 K25 | V17-R21 PolarHBondContact O-N 3.28Å; P18-R21 PolarHBondContact O-N 2.84Å; T19-R21 VanDerWaalsContact C-N 3.34Å; R21-K25 WeakPolarHBondContact O-CG 3.44Å |
| 22 | E | 50.8 | Low | 49.8 | Very low | 95 Ų | 95 | 103.1 Ų | 103.1 | 44% | 0.444 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.2 | -39.5 | 172.1 | -158.9 | 61.6 | -144.6 | 0 | 0 | 112.1 | P18 T19 V20 R24 K25 E26 | P18-E22 PolarHBondContact O-N 3.07Å; T19-E22 WeakPolarHBondContact O-CB 3.46Å; T19-E22 PolarHBondContact O-N 3.4Å; V20-E22 VanDerWaalsContact C-N 3.31Å; E22-R24 PolarHBondContact O-N 3.49Å; E22-R24 VanDerWaalsContact O-N 3.17Å; E22-K25 WeakPolarHBondContact O-CA 3Å; E22-K25 VanDerWaalsContact O-CB 3.28Å; E22-K25 WeakPolarHBondContact O-CB 2.9Å; E22-K25 WeakPolarHBondContact O-CG 3.39Å; E22-K25 PolarHBondContact O-N 3.28Å; E22-K25 WeakPolarHBondContact OE1-CD 3.44Å; E22-K25 IonicContact OE1-NZ 3.73Å; E22-K25 WeakPolarHBondContact OE2-CE 3.46Å; E22-K25 IonicContact OE2-NZ 2.63Å; E22-K25 PolarHBondContact OE2-NZ 3.25Å; E22-E26 PolarHBondContact O-N 3.48Å |
| 23 | S | 45.5 | Very low | 50.1 | Low | 57 Ų | 57 | 95.5 Ų | 95.5 | 40% | 0.399 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.9 | -24.9 | 175.2 | -60.6 | 0 | 0 | 0 | 0 | 114.1 | T19 V20 K25 C27 | T19-S23 PolarHBondContact O-N 3.01Å; V20-S23 PolarHBondContact O-N 3.3Å; S23-K25 PolarHBondContact O-N 3.35Å; S23-C27 PolarHBondContact O-N 2.93Å |
| 24 | R | 51.2 | Low | 50.4 | Low | 195 Ų | 195 | 96.7 Ų | 96.7 | 74% | 0.736 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.6 | -22.8 | 172.4 | -152.3 | -172.5 | -62.1 | -140.1 | 0.9 | 112.5 | E22 T28 | E22-R24 PolarHBondContact O-N 3.49Å; E22-R24 VanDerWaalsContact O-N 3.17Å; R24-T28 PolarHBondContact O-OG1 3.3Å |
| 25 | K | 46.5 | Very low | 50.7 | Low | 102 Ų | 102 | 104.5 Ų | 104.5 | 44% | 0.443 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -84.7 | -35.6 | 178.5 | -40.6 | -173.2 | -165.5 | 165.2 | 0 | 111.1 | R21 E22 S23 C27 T28 I29 | R21-K25 WeakPolarHBondContact O-CG 3.44Å; E22-K25 WeakPolarHBondContact O-CA 3Å; E22-K25 VanDerWaalsContact O-CB 3.28Å; E22-K25 WeakPolarHBondContact O-CB 2.9Å; E22-K25 WeakPolarHBondContact O-CG 3.39Å; E22-K25 PolarHBondContact O-N 3.28Å; E22-K25 WeakPolarHBondContact OE1-CD 3.44Å; E22-K25 IonicContact OE1-NZ 3.73Å; E22-K25 WeakPolarHBondContact OE2-CE 3.46Å; E22-K25 IonicContact OE2-NZ 2.63Å; E22-K25 PolarHBondContact OE2-NZ 3.25Å; S23-K25 PolarHBondContact O-N 3.35Å; K25-C27 VanDerWaalsContact C-N 3.29Å; K25-C27 PolarHBondContact O-N 3.26Å; K25-T28 WeakPolarHBondContact O-CB 3.45Å; K25-T28 PolarHBondContact O-N 3.31Å; K25-I29 PolarHBondContact O-N 2.79Å |
| 26 | E | 52.4 | Low | 50.9 | Low | 118 Ų | 118 | 104.4 Ų | 104.4 | 55% | 0.551 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.8 | -37.3 | 171.2 | -62.7 | -177.4 | 125.1 | 0 | 0 | 111.5 | E22 T28 I29 V30 | E22-E26 PolarHBondContact O-N 3.48Å; E26-T28 VanDerWaalsContact C-N 3.28Å; E26-T28 PolarHBondContact O-N 3.09Å; E26-I29 WeakPolarHBondContact O-CB 3.44Å; E26-I29 PolarHBondContact O-N 2.96Å; E26-V30 PolarHBondContact O-N 3.31Å; E26-V30 VanDerWaalsContact O-N 3.16Å |
| 27 | C | 50.1 | Low | 51.1 | Low | 81 Ų | 81 | 106 Ų | 106 | 55% | 0.547 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.4 | -31.2 | 170.3 | -95.5 | 0 | 0 | 0 | 0 | 114 | S23 K25 V30 L31 | S23-C27 PolarHBondContact O-N 2.93Å; K25-C27 VanDerWaalsContact C-N 3.29Å; K25-C27 PolarHBondContact O-N 3.26Å; C27-V30 WeakPolarHBondContact O-CG2 3.38Å; C27-L31 WeakPolarHBondContact O-CB 3.41Å; C27-L31 PolarHBondContact O-N 2.91Å; C27-L31 VanDerWaalsContact O-N 3.1Å |
| 28 | T | 52.8 | Low | 51 | Low | 70 Ų | 70 | 112.5 Ų | 112.5 | 43% | 0.429 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -76.9 | -33 | 177 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | R24 K25 E26 L31 Q32 | R24-T28 PolarHBondContact O-OG1 3.3Å; K25-T28 WeakPolarHBondContact O-CB 3.45Å; K25-T28 PolarHBondContact O-N 3.31Å; E26-T28 VanDerWaalsContact C-N 3.28Å; E26-T28 PolarHBondContact O-N 3.09Å; T28-L31 PolarHBondContact O-N 3.49Å; T28-Q32 HydrophobicContact CG2-CG 4.5Å; T28-Q32 WeakPolarHBondContact O-CB 3.47Å; T28-Q32 PolarHBondContact O-N 2.99Å |
| 29 | I | 55.4 | Low | 51.1 | Low | 119 Ų | 119 | 114.2 Ų | 114.2 | 61% | 0.61 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64 | -40.5 | 173.6 | -64.9 | 171.2 | 0 | 0 | 0 | 110.5 | K25 E26 G33 | K25-I29 PolarHBondContact O-N 2.79Å; E26-I29 WeakPolarHBondContact O-CB 3.44Å; E26-I29 PolarHBondContact O-N 2.96Å; I29-G33 PolarHBondContact O-N 3.29Å |
| 30 | V | 53.8 | Low | 51 | Low | 89 Ų | 89 | 116.3 Ų | 116.3 | 54% | 0.539 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.7 | -32.3 | 172.6 | -73.1 | 0 | 0 | 0 | 0 | 113.1 | E26 C27 G33 L34 | E26-V30 PolarHBondContact O-N 3.31Å; E26-V30 VanDerWaalsContact O-N 3.16Å; C27-V30 WeakPolarHBondContact O-CG2 3.38Å; V30-G33 PolarHBondContact O-N 3.24Å; V30-L34 WeakPolarHBondContact O-CD1 3.46Å; V30-L34 PolarHBondContact O-N 3.08Å |
| 31 | L | 52.8 | Low | 51.3 | Low | 128 Ų | 128 | 115.2 Ų | 115.2 | 67% | 0.67 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -72.3 | -36.6 | 177.1 | -145 | 80.9 | 0 | 0 | 0 | 112.9 | C27 T28 | C27-L31 WeakPolarHBondContact O-CB 3.41Å; C27-L31 PolarHBondContact O-N 2.91Å; C27-L31 VanDerWaalsContact O-N 3.1Å; T28-L31 PolarHBondContact O-N 3.49Å |
| 32 | Q | 52.2 | Low | 51.6 | Low | 138 Ų | 138 | 112.7 Ų | 112.7 | 65% | 0.645 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -73.1 | -33.4 | 172.7 | -74.3 | 169.9 | -31.4 | 0 | 0 | 111.6 | T28 R35 | T28-Q32 HydrophobicContact CG2-CG 4.5Å; T28-Q32 WeakPolarHBondContact O-CB 3.47Å; T28-Q32 PolarHBondContact O-N 2.99Å; Q32-R35 PolarHBondContact O-N 3.11Å |
| 33 | G | 55.8 | Low | 51.7 | Low | 38 Ų | 38 | 112.1 Ų | 112.1 | 39% | 0.392 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64 | -35.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I29 V30 R35 A36 H37 | I29-G33 PolarHBondContact O-N 3.29Å; V30-G33 PolarHBondContact O-N 3.24Å; G33-R35 VanDerWaalsContact C-N 3.25Å; G33-R35 PolarHBondContact O-N 3.42Å; G33-A36 PolarHBondContact O-N 3.44Å; G33-H37 PolarHBondContact O-N 3.11Å |
| 34 | L | 55.2 | Low | 52.1 | Low | 112 Ų | 112 | 113.8 Ų | 113.8 | 59% | 0.586 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.7 | -27.3 | 176 | -112 | 76.3 | 0 | 0 | 0 | 113.5 | V30 H37 | V30-L34 WeakPolarHBondContact O-CD1 3.46Å; V30-L34 PolarHBondContact O-N 3.08Å; L34-H37 WeakPolarHBondContact O-CB 3.41Å; L34-H37 PolarHBondContact O-N 3.3Å |
| 35 | R | 54.7 | Low | 52.3 | Low | 224 Ų | 224 | 110 Ų | 110 | 85% | 0.845 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -78.8 | -28.4 | 177.4 | -158.3 | 169.7 | 170.4 | 153.4 | -3.4 | 112.3 | Q32 G33 | Q32-R35 PolarHBondContact O-N 3.11Å; G33-R35 VanDerWaalsContact C-N 3.25Å; G33-R35 PolarHBondContact O-N 3.42Å |
| 36 | A | 53.3 | Low | 52.7 | Low | 65 Ų | 65 | 113.7 Ų | 113.7 | 54% | 0.537 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -76.9 | -27.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G33 W38 C39 | G33-A36 PolarHBondContact O-N 3.44Å; A36-W38 VanDerWaalsContact C-N 3.34Å; A36-W38 PolarHBondContact O-N 3.03Å; A36-C39 WeakPolarHBondContact O-CB 3.25Å; A36-C39 PolarHBondContact O-N 3.31Å |
| 37 | H | 49.6 | Very low | 52.8 | Low | 77 Ų | 77 | 114.6 Ų | 114.6 | 36% | 0.356 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -62.4 | -35.1 | 179.1 | -161.7 | 118.4 | 0 | 0 | 0 | 113.2 | G33 L34 C39 L40 T41 F44 | G33-H37 PolarHBondContact O-N 3.11Å; L34-H37 WeakPolarHBondContact O-CB 3.41Å; L34-H37 PolarHBondContact O-N 3.3Å; H37-C39 PolarHBondContact O-N 3.09Å; H37-C39 VanDerWaalsContact O-N 3.13Å; H37-L40 PolarHBondContact O-N 3.39Å; H37-T41 PolarHBondContact O-N 3.15Å; H37-T41 PolarHBondContact O-OG1 3.14Å; H37-T41 VanDerWaalsContact O-OG1 3.13Å; H37-F44 AromaticContact NE2-CD2 3.81Å; H37-F44 AromaticContact NE2-CE2 3.59Å |
| 38 | W | 47.6 | Very low | 53.3 | Low | 228 Ų | 228 | 112.4 Ų | 112.4 | 86% | 0.864 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -18.5 | 178.8 | -146 | -83.8 | 0 | 0 | 0 | 113.3 | A36 | A36-W38 VanDerWaalsContact C-N 3.34Å; A36-W38 PolarHBondContact O-N 3.03Å |
| 39 | C | 47.7 | Very low | 54 | Low | 110 Ų | 110 | 119.1 Ų | 119.1 | 74% | 0.743 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -16.6 | 173.8 | -154.8 | 0 | 0 | 0 | 0 | 112.5 | A36 H37 | A36-C39 WeakPolarHBondContact O-CB 3.25Å; A36-C39 PolarHBondContact O-N 3.31Å; H37-C39 PolarHBondContact O-N 3.09Å; H37-C39 VanDerWaalsContact O-N 3.13Å |
| 40 | L | 49.1 | Very low | 55.1 | Low | 131 Ų | 131 | 117 Ų | 117 | 69% | 0.686 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | -0.5 | -172.4 | -126.5 | 76.6 | 0 | 0 | 0 | 114.2 | H37 S42 A43 | H37-L40 PolarHBondContact O-N 3.39Å; L40-S42 PolarHBondContact O-N 3.02Å; L40-A43 PolarHBondContact O-N 3Å |
| 41 | T | 55.6 | Low | 56.4 | Low | 70 Ų | 70 | 116.2 Ų | 116.2 | 43% | 0.429 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -62.7 | -6.7 | -177.4 | -43.7 | 0 | 0 | 0 | 0 | 114.1 | H37 A43 | H37-T41 PolarHBondContact O-N 3.15Å; H37-T41 PolarHBondContact O-OG1 3.14Å; H37-T41 VanDerWaalsContact O-OG1 3.13Å; T41-A43 VanDerWaalsContact C-N 3.33Å; T41-A43 PolarHBondContact O-N 3.18Å |
| 42 | S | 50.5 | Low | 57.7 | Low | 119 Ų | 119 | 115.2 Ų | 115.2 | 83% | 0.832 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -76.7 | -6.9 | 177 | 31.9 | 0 | 0 | 0 | 0 | 115.1 | L40 | L40-S42 PolarHBondContact O-N 3.02Š|
| 43 | A | 53.5 | Low | 59.1 | Low | 83 Ų | 83 | 112.3 Ų | 112.3 | 69% | 0.686 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -116.9 | 14.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | L40 T41 S45 | L40-A43 PolarHBondContact O-N 3Å; T41-A43 VanDerWaalsContact C-N 3.33Å; T41-A43 PolarHBondContact O-N 3.18Å; A43-S45 PolarHBondContact O-N 2.99Å |
| 44 | F | 54.9 | Low | 60.1 | Low | 93 Ų | 93 | 116.2 Ų | 116.2 | 41% | 0.408 | 60% | 0.602 | S | S | . | * | trans | -95.1 | 79.1 | -158.2 | -173.7 | -97.6 | 0 | 0 | 0 | 114.8 | H37 | H37-F44 AromaticContact NE2-CD2 3.81Å; H37-F44 AromaticContact NE2-CE2 3.59Å | ||
| 45 | S | 54.2 | Low | 61.2 | Low | 115 Ų | 115 | 116.5 Ų | 116.5 | 80% | 0.804 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -141.7 | -18.8 | 167.4 | -86.9 | 0 | 0 | 0 | 0 | 116.7 | A43 | A43-S45 PolarHBondContact O-N 2.99Š|
| 46 | F | 54.8 | Low | 62.8 | Low | 180 Ų | 180 | 109.7 Ų | 109.7 | 79% | 0.789 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -95.1 | -29.5 | 176.4 | -160.7 | -103.3 | 0 | 0 | 0 | 113.4 | S48 | F46-S48 PolarHBondContact O-N 3.35Š|
| 47 | F | 55 | Low | 64.2 | Low | 136 Ų | 136 | 110.5 Ų | 110.5 | 60% | 0.596 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -17.8 | -174.4 | -75.1 | -78.2 | 0 | 0 | 0 | 115 | R49 V50 I51 | F47-R49 PolarHBondContact O-N 3.4Å; F47-V50 PolarHBondContact O-N 3.33Å; F47-I51 HydrophobicContact CB-CD1 4.25Å; F47-I51 WeakPolarHBondContact O-CG1 3.36Å; F47-I51 PolarHBondContact O-N 3.11Å; F47-I51 VanDerWaalsContact O-N 3.16Å |
| 48 | S | 60.9 | Low | 65.9 | Low | 36 Ų | 36 | 110.2 Ų | 110.2 | 25% | 0.252 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.3 | -34.7 | -174.6 | -46.3 | 0 | 0 | 0 | 0 | 112.6 | F46 I52 | F46-S48 PolarHBondContact O-N 3.35Å; S48-I52 VanDerWaalsContact O-CD1 3.29Å; S48-I52 WeakPolarHBondContact O-CD1 3.25Å; S48-I52 WeakPolarHBondContact O-CG1 3.45Å; S48-I52 PolarHBondContact O-N 3.04Å |
| 49 | R | 67.3 | Low | 67.4 | Low | 210 Ų | 210 | 102.8 Ų | 102.8 | 79% | 0.792 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66.9 | -42.5 | 178.7 | -71.1 | -179.5 | 164.1 | -92.1 | -0.9 | 112.4 | F47 T53 | F47-R49 PolarHBondContact O-N 3.4Å; R49-T53 WeakPolarHBondContact O-CG2 3.45Å; R49-T53 PolarHBondContact O-N 3.09Å; R49-T53 PolarHBondContact O-OG1 3.32Å |
| 50 | V | 78.4 | Confident | 69.5 | Low | 75 Ų | 75 | 101.1 Ų | 101.1 | 46% | 0.455 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -70.8 | -40.7 | -177.7 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | F47 I52 T53 M54 | F47-V50 PolarHBondContact O-N 3.33Å; V50-I52 PolarHBondContact O-N 3.43Å; V50-T53 WeakPolarHBondContact CA-OG1 3.41Å; V50-T53 PolarHBondContact O-N 2.99Å; V50-T53 PolarHBondContact O-OG1 3.46Å; V50-M54 HydrophobicContact CG1-CG 4.42Å; V50-M54 WeakPolarHBondContact O-CG 3.38Å; V50-M54 PolarHBondContact O-N 3.37Å |
| 51 | I | 80.6 | Confident | 71 | Confident | 73 Ų | 73 | 98.3 Ų | 98.3 | 37% | 0.374 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.7 | -42.2 | 179 | -62.9 | 166.4 | 0 | 0 | 0 | 110.8 | F47 T53 M54 L55 | F47-I51 HydrophobicContact CB-CD1 4.25Å; F47-I51 WeakPolarHBondContact O-CG1 3.36Å; F47-I51 PolarHBondContact O-N 3.11Å; F47-I51 VanDerWaalsContact O-N 3.16Å; I51-T53 VanDerWaalsContact C-N 3.34Å; I51-T53 PolarHBondContact O-N 3.18Å; I51-M54 PolarHBondContact O-N 2.93Å; I51-L55 HydrophobicContact CG2-CD1 3.96Å; I51-L55 HydrophobicContact CG2-CG 4.45Å; I51-L55 WeakPolarHBondContact O-CG 2.93Å; I51-L55 PolarHBondContact O-N 3.5Å |
| 52 | I | 81.5 | Confident | 72.2 | Confident | 107 Ų | 107 | 98.6 Ų | 98.6 | 55% | 0.549 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.6 | -44.1 | 176.3 | -67 | 164.4 | 0 | 0 | 0 | 110.4 | S48 V50 M54 L55 V56 | S48-I52 VanDerWaalsContact O-CD1 3.29Å; S48-I52 WeakPolarHBondContact O-CD1 3.25Å; S48-I52 WeakPolarHBondContact O-CG1 3.45Å; S48-I52 PolarHBondContact O-N 3.04Å; V50-I52 PolarHBondContact O-N 3.43Å; I52-M54 PolarHBondContact O-N 2.99Å; I52-L55 PolarHBondContact O-N 3.3Å; I52-V56 HydrophobicContact CG2-CG2 4.28Å; I52-V56 WeakPolarHBondContact O-CB 3.39Å; I52-V56 WeakPolarHBondContact O-CG2 3.42Å; I52-V56 PolarHBondContact O-N 3.11Å |
| 53 | T | 81.2 | Confident | 73.5 | Confident | 76 Ų | 76 | 99.7 Ų | 99.7 | 47% | 0.466 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 178.1 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | R49 V50 I51 V56 T57 | R49-T53 WeakPolarHBondContact O-CG2 3.45Å; R49-T53 PolarHBondContact O-N 3.09Å; R49-T53 PolarHBondContact O-OG1 3.32Å; V50-T53 WeakPolarHBondContact CA-OG1 3.41Å; V50-T53 PolarHBondContact O-N 2.99Å; V50-T53 PolarHBondContact O-OG1 3.46Å; I51-T53 VanDerWaalsContact C-N 3.34Å; I51-T53 PolarHBondContact O-N 3.18Å; T53-V56 PolarHBondContact O-N 3.41Å; T53-T57 WeakPolarHBondContact O-CG2 3.18Å; T53-T57 PolarHBondContact O-N 2.71Å; T53-T57 PolarHBondContact O-OG1 2.99Å |
| 54 | M | 76.2 | Confident | 74.6 | Confident | 120 Ų | 120 | 100 Ų | 100 | 59% | 0.591 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68 | -37.8 | -179.8 | -68 | -64.6 | 155.3 | 0 | 0 | 112.6 | V50 I51 I52 T57 C58 | V50-M54 HydrophobicContact CG1-CG 4.42Å; V50-M54 WeakPolarHBondContact O-CG 3.38Å; V50-M54 PolarHBondContact O-N 3.37Å; I51-M54 PolarHBondContact O-N 2.93Å; I52-M54 PolarHBondContact O-N 2.99Å; M54-T57 PolarHBondContact O-OG1 3.39Å; M54-C58 WeakPolarHBondContact O-CB 3.46Å; M54-C58 PolarHBondContact O-N 3.08Å; M54-C58 VanDerWaalsContact O-N 3.11Å |
| 55 | L | 78.6 | Confident | 75.7 | Confident | 118 Ų | 118 | 102.2 Ų | 102.2 | 62% | 0.618 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.1 | -40 | 175.1 | -71.6 | 172 | 0 | 0 | 0 | 112.1 | I51 I52 S59 | I51-L55 HydrophobicContact CG2-CD1 3.96Å; I51-L55 HydrophobicContact CG2-CG 4.45Å; I51-L55 WeakPolarHBondContact O-CG 2.93Å; I51-L55 PolarHBondContact O-N 3.5Å; I52-L55 PolarHBondContact O-N 3.3Å; L55-S59 PolarHBondContact O-N 3.3Å; L55-S59 VanDerWaalsContact O-N 3.09Å; L55-S59 PolarHBondContact O-OG 3.22Å |
| 56 | V | 88.4 | Confident | 77.1 | Confident | 81 Ų | 81 | 104.1 Ų | 104.1 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.7 | -44.1 | 178.6 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | I52 T53 C58 S59 V60 | I52-V56 HydrophobicContact CG2-CG2 4.28Å; I52-V56 WeakPolarHBondContact O-CB 3.39Å; I52-V56 WeakPolarHBondContact O-CG2 3.42Å; I52-V56 PolarHBondContact O-N 3.11Å; T53-V56 PolarHBondContact O-N 3.41Å; V56-C58 VanDerWaalsContact C-N 3.33Å; V56-C58 PolarHBondContact O-N 2.76Å; V56-S59 PolarHBondContact O-N 3.3Å; V56-S59 PolarHBondContact O-OG 3.48Å; V56-V60 HydrophobicContact CG1-CG2 4.46Å; V56-V60 VanDerWaalsContact O-CG2 3.25Å; V56-V60 WeakPolarHBondContact O-CG2 3.22Å; V56-V60 PolarHBondContact O-N 3Å; V56-V60 VanDerWaalsContact O-N 3.11Å |
| 57 | T | 82.9 | Confident | 78.4 | Confident | 83 Ų | 83 | 98.6 Ų | 98.6 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66 | -37.7 | 178.3 | 51.1 | 0 | 0 | 0 | 0 | 112 | T53 M54 C61 | T53-T57 WeakPolarHBondContact O-CG2 3.18Å; T53-T57 PolarHBondContact O-N 2.71Å; T53-T57 PolarHBondContact O-OG1 2.99Å; M54-T57 PolarHBondContact O-OG1 3.39Å; T57-C61 WeakPolarHBondContact O-CB 3.45Å; T57-C61 PolarHBondContact O-N 3.45Å; T57-C61 PolarHBondContact O-SG 3.2Å |
| 58 | C | 85.8 | Confident | 79.9 | Confident | 70 Ų | 70 | 97.2 Ų | 97.2 | 47% | 0.473 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.8 | -41.7 | 177.5 | -170.8 | 0 | 0 | 0 | 0 | 112.3 | M54 V56 C61 C62 | M54-C58 WeakPolarHBondContact O-CB 3.46Å; M54-C58 PolarHBondContact O-N 3.08Å; M54-C58 VanDerWaalsContact O-N 3.11Å; V56-C58 VanDerWaalsContact C-N 3.33Å; V56-C58 PolarHBondContact O-N 2.76Å; C58-C61 VanDerWaalsContact CA-SG 3.53Å; C58-C61 PolarHBondContact O-SG 3.47Å; C58-C62 WeakPolarHBondContact O-CB 3.44Å; C58-C62 PolarHBondContact O-N 3.2Å; C58-C62 PolarHBondContact O-SG 3.43Å |
| 59 | S | 77.9 | Confident | 80.6 | Confident | 72 Ų | 72 | 97.3 Ų | 97.3 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68 | -40.1 | 178.1 | 68.5 | 0 | 0 | 0 | 0 | 112.3 | L55 V56 Y63 | L55-S59 PolarHBondContact O-N 3.3Å; L55-S59 VanDerWaalsContact O-N 3.09Å; L55-S59 PolarHBondContact O-OG 3.22Å; V56-S59 PolarHBondContact O-N 3.3Å; V56-S59 PolarHBondContact O-OG 3.48Å; S59-Y63 WeakPolarHBondContact O-CB 3.09Å; S59-Y63 PolarHBondContact O-N 3.01Å; S59-Y63 VanDerWaalsContact O-N 3.09Å |
| 60 | V | 91.4 | Very high | 81.3 | Confident | 75 Ų | 75 | 90.2 Ų | 90.2 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.9 | -44.3 | 179 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | V56 Y63 L64 | V56-V60 HydrophobicContact CG1-CG2 4.46Å; V56-V60 VanDerWaalsContact O-CG2 3.25Å; V56-V60 WeakPolarHBondContact O-CG2 3.22Å; V56-V60 PolarHBondContact O-N 3Å; V56-V60 VanDerWaalsContact O-N 3.11Å; V60-Y63 PolarHBondContact O-N 3.41Å; V60-L64 HydrophobicContact CG1-CD1 3.88Å; V60-L64 HydrophobicContact CG1-CG 4.32Å; V60-L64 WeakPolarHBondContact O-CG 3.2Å; V60-L64 PolarHBondContact O-N 3.06Å |
| 61 | C | 81.4 | Confident | 81.3 | Confident | 72 Ų | 72 | 91.6 Ų | 91.6 | 49% | 0.486 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.6 | -38.1 | -179.4 | 65.6 | 0 | 0 | 0 | 0 | 112.3 | T57 C58 Y63 F65 | T57-C61 WeakPolarHBondContact O-CB 3.45Å; T57-C61 PolarHBondContact O-N 3.45Å; T57-C61 PolarHBondContact O-SG 3.2Å; C58-C61 VanDerWaalsContact CA-SG 3.53Å; C58-C61 PolarHBondContact O-SG 3.47Å; C61-Y63 PolarHBondContact O-N 3.43Å; C61-F65 WeakPolarHBondContact O-CB 3.44Å; C61-F65 PolarHBondContact O-N 3.17Å; C61-F65 VanDerWaalsContact O-N 3.11Å |
| 62 | C | 80.5 | Confident | 80.9 | Confident | 76 Ų | 76 | 91.5 Ų | 91.5 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 173.5 | -67.1 | 0 | 0 | 0 | 0 | 112.2 | C58 W66 | C58-C62 WeakPolarHBondContact O-CB 3.44Å; C58-C62 PolarHBondContact O-N 3.2Å; C58-C62 PolarHBondContact O-SG 3.43Å; C62-W66 WeakPolarHBondContact O-CB 3.46Å; C62-W66 PolarHBondContact O-N 3.46Å; C62-W66 VanDerWaalsContact O-N 3.11Å |
| 63 | Y | 77.4 | Confident | 80.2 | Confident | 142 Ų | 142 | 90.2 Ų | 90.2 | 56% | 0.557 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -70.3 | -42.4 | -179.2 | -173.1 | -102.9 | 0 | 0 | 0 | 112.7 | S59 V60 C61 W66 L67 | S59-Y63 WeakPolarHBondContact O-CB 3.09Å; S59-Y63 PolarHBondContact O-N 3.01Å; S59-Y63 VanDerWaalsContact O-N 3.09Å; V60-Y63 PolarHBondContact O-N 3.41Å; C61-Y63 PolarHBondContact O-N 3.43Å; Y63-W66 HydrophobicContact CE2-CE3 4.32Å; Y63-W66 HydrophobicContact CE2-CZ3 4.44Å; Y63-W66 PolarHBondContact O-N 3.09Å; Y63-L67 WeakPolarHBondContact O-CB 3.36Å; Y63-L67 PolarHBondContact O-N 3.13Å |
| 64 | L | 77.4 | Confident | 79.5 | Confident | 91 Ų | 91 | 92.7 Ų | 92.7 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 176.9 | -73 | 174.8 | 0 | 0 | 0 | 111.7 | V60 W66 L67 I68 | V60-L64 HydrophobicContact CG1-CD1 3.88Å; V60-L64 HydrophobicContact CG1-CG 4.32Å; V60-L64 WeakPolarHBondContact O-CG 3.2Å; V60-L64 PolarHBondContact O-N 3.06Å; L64-W66 VanDerWaalsContact C-N 3.32Å; L64-W66 PolarHBondContact O-N 3.24Å; L64-L67 PolarHBondContact O-N 2.87Å; L64-I68 WeakPolarHBondContact O-CD1 3.5Å; L64-I68 VanDerWaalsContact O-CG1 3.22Å; L64-I68 WeakPolarHBondContact O-CG1 3.38Å; L64-I68 PolarHBondContact O-N 3.36Å |
| 65 | F | 78.1 | Confident | 79 | Confident | 139 Ų | 139 | 93.1 Ų | 93.1 | 61% | 0.61 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.6 | -43.6 | 175.9 | 179 | -104.4 | 0 | 0 | 0 | 111.7 | C61 I68 A69 | C61-F65 WeakPolarHBondContact O-CB 3.44Å; C61-F65 PolarHBondContact O-N 3.17Å; C61-F65 VanDerWaalsContact O-N 3.11Å; F65-I68 PolarHBondContact O-N 3.24Å; F65-A69 WeakPolarHBondContact O-CB 3.28Å; F65-A69 PolarHBondContact O-N 3.16Å; F65-A69 VanDerWaalsContact O-N 3.08Å |
| 66 | W | 83.4 | Confident | 78.1 | Confident | 154 Ų | 154 | 91.4 Ų | 91.4 | 58% | 0.583 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.1 | -43.2 | 176.5 | -172.5 | 78.7 | 0 | 0 | 0 | 112.4 | C62 Y63 L64 A69 I70 | C62-W66 WeakPolarHBondContact O-CB 3.46Å; C62-W66 PolarHBondContact O-N 3.46Å; C62-W66 VanDerWaalsContact O-N 3.11Å; Y63-W66 HydrophobicContact CE2-CE3 4.32Å; Y63-W66 HydrophobicContact CE2-CZ3 4.44Å; Y63-W66 PolarHBondContact O-N 3.09Å; L64-W66 VanDerWaalsContact C-N 3.32Å; L64-W66 PolarHBondContact O-N 3.24Å; W66-A69 PolarHBondContact O-N 3.47Å; W66-I70 HydrophobicContact CD2-CD1 3.74Å; W66-I70 HydrophobicContact CE3-CD1 3.79Å; W66-I70 HydrophobicContact CH2-CD1 3.5Å; W66-I70 HydrophobicContact CZ2-CD1 3.44Å; W66-I70 VanDerWaalsContact CZ2-CD1 3.44Å; W66-I70 HydrophobicContact CZ3-CD1 3.68Å; W66-I70 WeakPolarHBondContact O-CG1 3.29Å; W66-I70 PolarHBondContact O-N 2.63Å |
| 67 | L | 82.8 | Confident | 76.8 | Confident | 64 Ų | 64 | 93.9 Ų | 93.9 | 34% | 0.335 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66 | -43.1 | 179.6 | -163.7 | 81.6 | 0 | 0 | 0 | 112.2 | Y63 L64 A69 I70 L71 | Y63-L67 WeakPolarHBondContact O-CB 3.36Å; Y63-L67 PolarHBondContact O-N 3.13Å; L64-L67 PolarHBondContact O-N 2.87Å; L67-A69 VanDerWaalsContact C-N 3.34Å; L67-A69 PolarHBondContact O-N 3.17Å; L67-I70 PolarHBondContact O-N 3.27Å; L67-L71 HydrophobicContact CD2-CD1 4.2Å; L67-L71 HydrophobicContact CG-CD1 4.05Å; L67-L71 WeakPolarHBondContact O-CG 3.19Å; L67-L71 PolarHBondContact O-N 3.06Å |
| 68 | I | 85.6 | Confident | 75.9 | Confident | 108 Ų | 108 | 98.3 Ų | 98.3 | 55% | 0.554 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.3 | -40.6 | 178.3 | -64.8 | 163.7 | 0 | 0 | 0 | 110.5 | L64 F65 I70 L71 A72 | L64-I68 WeakPolarHBondContact O-CD1 3.5Å; L64-I68 VanDerWaalsContact O-CG1 3.22Å; L64-I68 WeakPolarHBondContact O-CG1 3.38Å; L64-I68 PolarHBondContact O-N 3.36Å; F65-I68 PolarHBondContact O-N 3.24Å; I68-I70 PolarHBondContact O-N 3.01Å; I68-L71 PolarHBondContact O-N 3.26Å; I68-A72 WeakPolarHBondContact O-CB 3.41Å; I68-A72 PolarHBondContact O-N 3.16Å |
| 69 | A | 76.8 | Confident | 75.3 | Confident | 37 Ų | 37 | 97.8 Ų | 97.8 | 31% | 0.306 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.2 | -34.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F65 W66 L67 Q73 | F65-A69 WeakPolarHBondContact O-CB 3.28Å; F65-A69 PolarHBondContact O-N 3.16Å; F65-A69 VanDerWaalsContact O-N 3.08Å; W66-A69 PolarHBondContact O-N 3.47Å; L67-A69 VanDerWaalsContact C-N 3.34Å; L67-A69 PolarHBondContact O-N 3.17Å; A69-Q73 PolarHBondContact O-NE2 3.42Å |
| 70 | I | 81.9 | Confident | 75 | Confident | 61 Ų | 61 | 99 Ų | 99 | 31% | 0.313 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -75.4 | -48.6 | 175.7 | -68.6 | 170.6 | 0 | 0 | 0 | 110.5 | W66 L67 I68 A72 Q73 L74 | W66-I70 HydrophobicContact CD2-CD1 3.74Å; W66-I70 HydrophobicContact CE3-CD1 3.79Å; W66-I70 HydrophobicContact CH2-CD1 3.5Å; W66-I70 HydrophobicContact CZ2-CD1 3.44Å; W66-I70 VanDerWaalsContact CZ2-CD1 3.44Å; W66-I70 HydrophobicContact CZ3-CD1 3.68Å; W66-I70 WeakPolarHBondContact O-CG1 3.29Å; W66-I70 PolarHBondContact O-N 2.63Å; L67-I70 PolarHBondContact O-N 3.27Å; I68-I70 PolarHBondContact O-N 3.01Å; I70-A72 VanDerWaalsContact C-N 3.28Å; I70-A72 PolarHBondContact O-N 3.2Å; I70-Q73 WeakPolarHBondContact O-CA 3.48Å; I70-Q73 WeakPolarHBondContact O-CB 3.46Å; I70-Q73 PolarHBondContact O-N 3.33Å; I70-L74 HydrophobicContact CG2-CD1 3.41Å; I70-L74 VanDerWaalsContact CG2-CD1 3.41Å; I70-L74 WeakPolarHBondContact O-CD1 3.08Å; I70-L74 PolarHBondContact O-N 3.25Å |
| 71 | L | 77.1 | Confident | 74.1 | Confident | 104 Ų | 104 | 104.5 Ų | 104.5 | 55% | 0.545 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.8 | -37.1 | -179.7 | -75.4 | 162.6 | 0 | 0 | 0 | 113.1 | L67 I68 Q73 L74 | L67-L71 HydrophobicContact CD2-CD1 4.2Å; L67-L71 HydrophobicContact CG-CD1 4.05Å; L67-L71 WeakPolarHBondContact O-CG 3.19Å; L67-L71 PolarHBondContact O-N 3.06Å; I68-L71 PolarHBondContact O-N 3.26Å; L71-Q73 PolarHBondContact O-N 3.42Å; L71-L74 PolarHBondContact O-N 3.21Å |
| 72 | A | 71.8 | Confident | 74 | Confident | 72 Ų | 72 | 104.9 Ų | 104.9 | 60% | 0.595 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.6 | -21.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I68 I70 | I68-A72 WeakPolarHBondContact O-CB 3.41Å; I68-A72 PolarHBondContact O-N 3.16Å; I70-A72 VanDerWaalsContact C-N 3.28Å; I70-A72 PolarHBondContact O-N 3.2Å |
| 73 | Q | 67.9 | Low | 73.7 | Confident | 80 Ų | 80 | 108.8 Ų | 108.8 | 37% | 0.374 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -94.1 | -18.7 | 177.7 | -71.3 | 173.8 | 70.5 | 0 | 0 | 114.1 | Y13 A69 I70 L71 P76 | Y13-Q73 HydrophobicContact CE1-CG 4.12Å; Y13-Q73 HydrophobicContact CE2-CG 4.16Å; Y13-Q73 VanDerWaalsContact CE2-OE1 3.29Å; Y13-Q73 VanDerWaalsContact CZ-CG 3.49Å; Y13-Q73 VanDerWaalsContact CZ-OE1 3.29Å; Y13-Q73 WeakPolarHBondContact OH-CG 3.45Å; Y13-Q73 PolarHBondContact OH-NE2 2.96Å; A69-Q73 PolarHBondContact O-NE2 3.42Å; I70-Q73 WeakPolarHBondContact O-CA 3.48Å; I70-Q73 WeakPolarHBondContact O-CB 3.46Å; I70-Q73 PolarHBondContact O-N 3.33Å; L71-Q73 PolarHBondContact O-N 3.42Å; Q73-P76 VanDerWaalsContact O-CD 3.31Å; Q73-P76 WeakPolarHBondContact O-CD 3.47Å |
| 74 | L | 67.1 | Low | 73.9 | Confident | 128 Ų | 128 | 106.8 Ų | 106.8 | 67% | 0.67 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -86.3 | -23.1 | -177.9 | -87.8 | 87.3 | 0 | 0 | 0 | 114.1 | I70 L71 P76 | I70-L74 HydrophobicContact CG2-CD1 3.41Å; I70-L74 VanDerWaalsContact CG2-CD1 3.41Å; I70-L74 WeakPolarHBondContact O-CD1 3.08Å; I70-L74 PolarHBondContact O-N 3.25Å; L71-L74 PolarHBondContact O-N 3.21Å; L74-P76 VanDerWaalsContact O-CD 3.31Å; L74-P76 WeakPolarHBondContact O-CD 3.33Å |
| 75 | N | 65.4 | Low | 74 | Confident | 128 Ų | 128 | 108.5 Ų | 108.5 | 68% | 0.684 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -116.3 | 58.3 | 169.9 | -166.3 | 46 | 0 | 0 | 0 | 112.2 | L77 | N75-L77 PolarHBondContact O-N 3.45Å; N75-L77 VanDerWaalsContact O-N 3.14Å |
| 76 | P | 58.9 | Low | 74.2 | Confident | 82 Ų | 82 | 104.8 Ų | 104.8 | 53% | 0.532 | 56% | 0.557 | S | S | . | * | trans | -75.8 | 106.3 | 179.8 | 31.7 | -30 | 0 | 0 | 0 | 108.7 | Q73 L74 F78 | Q73-P76 VanDerWaalsContact O-CD 3.31Å; Q73-P76 WeakPolarHBondContact O-CD 3.47Å; L74-P76 VanDerWaalsContact O-CD 3.31Å; L74-P76 WeakPolarHBondContact O-CD 3.33Å; P76-F78 PolarHBondContact O-N 3.05Å; P76-F78 VanDerWaalsContact O-N 3.14Å | ||
| 77 | L | 61.9 | Low | 74.2 | Confident | 133 Ų | 133 | 101.3 Ų | 101.3 | 70% | 0.696 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -64.4 | -13.3 | 176.1 | -122.4 | 72 | 0 | 0 | 0 | 113.2 | N75 | N75-L77 PolarHBondContact O-N 3.45Å; N75-L77 VanDerWaalsContact O-N 3.14Å |
| 78 | F | 63.1 | Low | 74.2 | Confident | 177 Ų | 177 | 106.2 Ų | 106.2 | 78% | 0.776 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -141.2 | 129.1 | -178 | -59.7 | -74.5 | 0 | 0 | 0 | 111.3 | P76 | P76-F78 PolarHBondContact O-N 3.05Å; P76-F78 VanDerWaalsContact O-N 3.14Å |
| 79 | G | 72.9 | Confident | 74 | Confident | 59 Ų | 59 | 109.9 Ų | 109.9 | 61% | 0.608 | 57% | 0.571 | S | S | * | * | trans | -85.8 | 157.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q81 | G79-Q81 PolarHBondContact O-N 3.48Š| ||
| 80 | P | 71.3 | Confident | 74.3 | Confident | 96 Ų | 96 | 113 Ų | 113 | 62% | 0.623 | 58% | 0.583 | S | S | * | * | trans | -63.2 | 125.3 | 176.4 | 25.7 | -32.4 | 0 | 0 | 0 | 111.2 | L82 | P80-L82 PolarHBondContact O-N 3.1Š| ||
| 81 | Q | 73.8 | Confident | 74.3 | Confident | 192 Ų | 192 | 117.7 Ų | 117.7 | 90% | 0.897 | 60% | 0.6 | S | S | * | * | trans | -78 | 108.2 | 174.3 | -81.4 | -72.4 | -40.6 | 0 | 0 | 110 | G79 | G79-Q81 PolarHBondContact O-N 3.48Š| ||
| 82 | L | 78.8 | Confident | 74.7 | Confident | 80 Ų | 80 | 122.9 Ų | 122.9 | 42% | 0.419 | 61% | 0.614 | S | S | . | * | trans | -113.6 | 139.3 | -177.3 | -130.5 | 73.6 | 0 | 0 | 0 | 111.3 | P80 T86 I87 L90 | P80-L82 PolarHBondContact O-N 3.1Å; L82-T86 HydrophobicContact CD2-CG2 3.65Å; L82-T86 HydrophobicContact CG-CG2 3.97Å; L82-I87 HydrophobicContact CB-CD1 4.42Å; L82-I87 HydrophobicContact CB-CG1 4.04Å; L82-I87 HydrophobicContact CD2-CG1 4.13Å; L82-L90 HydrophobicContact CD2-CD1 3.88Å | ||
| 83 | K | 74.6 | Confident | 75.4 | Confident | 158 Ų | 158 | 127 Ų | 127 | 69% | 0.687 | 62% | 0.621 | S | S | * | * | trans | -71.5 | 148.3 | 174.6 | -61.7 | -178.8 | -177.1 | 178.3 | 0 | 110 | E85 T86 I87 | K83-E85 HydrophobicContact CB-CG 4.5Å; K83-E85 PolarHBondContact O-N 3.21Å; K83-T86 WeakPolarHBondContact O-CB 3.37Å; K83-T86 PolarHBondContact O-N 3.39Å; K83-I87 PolarHBondContact O-N 2.99Å | ||
| 84 | N | 81.2 | Confident | 75.8 | Confident | 100 Ų | 100 | 133.6 Ų | 133.6 | 54% | 0.535 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -59.8 | -36.2 | -169.6 | -153.3 | 60.7 | 0 | 0 | 0 | 112.3 | T86 I87 W88 | N84-T86 VanDerWaalsContact C-N 3.31Å; N84-T86 PolarHBondContact O-N 3.46Å; N84-I87 PolarHBondContact O-N 3.01Å; N84-W88 VanDerWaalsContact O-CD1 3.24Å; N84-W88 PolarHBondContact O-N 2.94Å |
| 85 | E | 80.1 | Confident | 75.6 | Confident | 127 Ų | 127 | 136.4 Ų | 136.4 | 59% | 0.593 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -61.6 | -38.4 | 176.5 | 9.1 | -62 | 128.9 | 0 | 0 | 111.8 | K83 Y89 | K83-E85 HydrophobicContact CB-CG 4.5Å; K83-E85 PolarHBondContact O-N 3.21Å; E85-Y89 WeakPolarHBondContact O-CD2 3.47Å; E85-Y89 PolarHBondContact O-N 3.31Å |
| 86 | T | 82.3 | Confident | 76.1 | Confident | 61 Ų | 61 | 136.8 Ų | 136.8 | 37% | 0.374 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -72.7 | -30.6 | 179.5 | -45.8 | 0 | 0 | 0 | 0 | 112.1 | L82 K83 N84 Y89 L90 | L82-T86 HydrophobicContact CD2-CG2 3.65Å; L82-T86 HydrophobicContact CG-CG2 3.97Å; K83-T86 WeakPolarHBondContact O-CB 3.37Å; K83-T86 PolarHBondContact O-N 3.39Å; N84-T86 VanDerWaalsContact C-N 3.31Å; N84-T86 PolarHBondContact O-N 3.46Å; T86-Y89 PolarHBondContact O-N 2.88Å; T86-L90 HydrophobicContact CG2-CD1 4.14Å; T86-L90 PolarHBondContact O-N 3.24Å |
| 87 | I | 81.9 | Confident | 77 | Confident | 80 Ų | 80 | 139.7 Ų | 139.7 | 41% | 0.41 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -66.5 | -44.5 | 177.4 | -63.8 | 169.7 | 0 | 0 | 0 | 110.6 | L82 K83 N84 Y89 L90 K91 | L82-I87 HydrophobicContact CB-CD1 4.42Å; L82-I87 HydrophobicContact CB-CG1 4.04Å; L82-I87 HydrophobicContact CD2-CG1 4.13Å; K83-I87 PolarHBondContact O-N 2.99Å; N84-I87 PolarHBondContact O-N 3.01Å; I87-Y89 VanDerWaalsContact C-N 3.33Å; I87-Y89 PolarHBondContact O-N 3.43Å; I87-L90 PolarHBondContact O-N 3.21Å; I87-K91 PolarHBondContact O-N 3.42Å |
| 88 | W | 82.9 | Confident | 77.8 | Confident | 167 Ų | 167 | 140.1 Ų | 140.1 | 63% | 0.633 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -61.7 | -42 | 175.8 | -77.8 | 107 | 0 | 0 | 0 | 112.1 | N84 L90 K91 Y92 | N84-W88 VanDerWaalsContact O-CD1 3.24Å; N84-W88 PolarHBondContact O-N 2.94Å; W88-L90 PolarHBondContact O-N 3.42Å; W88-K91 PolarHBondContact O-N 3.35Å; W88-Y92 PolarHBondContact O-N 3.4Å |
| 89 | Y | 82.5 | Confident | 78.7 | Confident | 185 Ų | 185 | 137.9 Ų | 137.9 | 73% | 0.725 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -60.6 | -43.4 | 174.4 | -98.2 | -78.9 | 0 | 0 | 0 | 112.9 | E85 T86 I87 Y92 H93 | E85-Y89 WeakPolarHBondContact O-CD2 3.47Å; E85-Y89 PolarHBondContact O-N 3.31Å; T86-Y89 PolarHBondContact O-N 2.88Å; I87-Y89 VanDerWaalsContact C-N 3.33Å; I87-Y89 PolarHBondContact O-N 3.43Å; Y89-Y92 PolarHBondContact O-N 3Å; Y89-H93 WeakPolarHBondContact O-CB 3.39Å; Y89-H93 PolarHBondContact O-N 2.9Å; Y89-H93 VanDerWaalsContact O-N 3.09Å |
| 90 | L | 83.2 | Confident | 79 | Confident | 104 Ų | 104 | 142.8 Ų | 142.8 | 55% | 0.545 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -63.8 | -45 | 179.2 | -110.2 | 109.8 | 0 | 0 | 0 | 112.3 | L82 T86 I87 W88 Y92 H93 W94 | L82-L90 HydrophobicContact CD2-CD1 3.88Å; T86-L90 HydrophobicContact CG2-CD1 4.14Å; T86-L90 PolarHBondContact O-N 3.24Å; I87-L90 PolarHBondContact O-N 3.21Å; W88-L90 PolarHBondContact O-N 3.42Å; L90-Y92 PolarHBondContact O-N 3.29Å; L90-H93 PolarHBondContact O-N 3.13Å; L90-W94 PolarHBondContact O-N 3.13Å |
| 91 | K | 81.6 | Confident | 79.5 | Confident | 158 Ų | 158 | 145.9 Ų | 145.9 | 69% | 0.687 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -63.4 | -29.2 | -179.6 | -169.4 | -176.8 | 179.6 | 178.1 | 0 | 112.7 | I87 W88 | I87-K91 PolarHBondContact O-N 3.42Å; W88-K91 PolarHBondContact O-N 3.35Å |
| 92 | Y | 84.4 | Confident | 80 | Confident | 213 Ų | 213 | 142.6 Ų | 142.6 | 84% | 0.835 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -83.8 | -34.4 | 178.9 | -168 | -96.1 | 0 | 0 | 0 | 112.7 | W88 Y89 L90 | W88-Y92 PolarHBondContact O-N 3.4Å; Y89-Y92 PolarHBondContact O-N 3Å; L90-Y92 PolarHBondContact O-N 3.29Å |
| 93 | H | 88.4 | Confident | 80 | Confident | 160 Ų | 160 | 147.5 Ų | 147.5 | 74% | 0.741 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -86.1 | -22.2 | -176.1 | -158.7 | 66.4 | 0 | 0 | 0 | 113.8 | Y89 L90 | Y89-H93 WeakPolarHBondContact O-CB 3.39Å; Y89-H93 PolarHBondContact O-N 2.9Å; Y89-H93 VanDerWaalsContact O-N 3.09Å; L90-H93 PolarHBondContact O-N 3.13Å |
| 94 | W | 75 | Confident | 80.5 | Confident | 218 Ų | 218 | 146.6 Ų | 146.6 | 83% | 0.826 | 68% | 0.676 | S | S | * | * | trans | -122.5 | 95.8 | 176.9 | -118.4 | 42.3 | 0 | 0 | 0 | 109.5 | L90 | L90-W94 PolarHBondContact O-N 3.13Š| ||
| 95 | P | 62.5 | Low | 80.4 | Confident | 186 Ų | 186 | 150.8 Ų | 150.8 | 100% | 1.208 | 69% | 0.689 | S | S | * | * | trans | -68.2 | 0 | -179.7 | 29.3 | -34.8 | 0 | 0 | 0 | 113.1 |
Retrieved 95 of 95 residues in 147.5 ms
(Link to these results)