| 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 | 35.5 | Very low | 57.4 | Low | 247 Ų | 247 | 148.8 Ų | 148.8 | 100% | 1.217 | 76% | 0.761 | S | S | * | * | 0 | 100.4 | 0 | -76.2 | 173.2 | 177.7 | 0 | 0 | 108.4 | S3 | M1-S3 PolarHBondContact O-N 3.35Š| |||
| 2 | A | 41.9 | Very low | 59.4 | Low | 112 Ų | 112 | 139.7 Ų | 139.7 | 93% | 0.926 | 73% | 0.725 | S | S | * | * | trans | -70.2 | 114.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 3 | S | 46.2 | Very low | 61.4 | Low | 83 Ų | 83 | 136.8 Ų | 136.8 | 58% | 0.58 | 71% | 0.71 | S | S | * | * | trans | -125.9 | 101.4 | 164 | 145.2 | 0 | 0 | 0 | 0 | 105.4 | M1 R5 | M1-S3 PolarHBondContact O-N 3.35Å; S3-R5 PolarHBondContact O-N 3.08Å | ||
| 4 | N | 46.1 | Very low | 63.2 | Low | 155 Ų | 155 | 133.9 Ų | 133.9 | 83% | 0.829 | 70% | 0.696 | S | S | * | * | trans | -59.3 | 72.4 | 173.7 | -98.3 | -25.4 | 0 | 0 | 0 | 110.7 | R6 | N4-R6 VanDerWaalsContact C-N 3.27Å; N4-R6 PolarHBondContact O-N 2.98Å; N4-R6 VanDerWaalsContact O-N 3.16Å | ||
| 5 | R | 50.3 | Low | 64.9 | Low | 217 Ų | 217 | 131.7 Ų | 131.7 | 82% | 0.819 | 68% | 0.684 | S | S | * | * | trans | -83.3 | 80.1 | 163.2 | -77.6 | -173.9 | -169.7 | -156.2 | 2.6 | 106.7 | S3 V7 | S3-R5 PolarHBondContact O-N 3.08Å; R5-V7 VanDerWaalsContact C-N 3.25Å; R5-V7 PolarHBondContact O-N 3.16Å | ||
| 6 | R | 51.5 | Low | 66.2 | Low | 211 Ų | 211 | 133.2 Ų | 133.2 | 80% | 0.796 | 68% | 0.68 | S | S | * | * | trans | -64.8 | 95.4 | 165.2 | -117.9 | -173.2 | -83.9 | -162.3 | -4.2 | 106.6 | N4 R8 | N4-R6 VanDerWaalsContact C-N 3.27Å; N4-R6 PolarHBondContact O-N 2.98Å; N4-R6 VanDerWaalsContact O-N 3.16Å; R6-R8 VanDerWaalsContact C-N 3.26Å; R6-R8 PolarHBondContact O-N 2.93Å | ||
| 7 | V | 55.8 | Low | 67.5 | Low | 135 Ų | 135 | 133.3 Ų | 133.3 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | trans | -58.2 | 96.5 | 162.9 | 177.7 | 0 | 0 | 0 | 0 | 105.5 | R5 C9 | R5-V7 VanDerWaalsContact C-N 3.25Å; R5-V7 PolarHBondContact O-N 3.16Å; V7-C9 PolarHBondContact O-N 3.17Å | ||
| 8 | R | 61.7 | Low | 68.8 | Low | 157 Ų | 157 | 130.9 Ų | 130.9 | 59% | 0.592 | 66% | 0.663 | S | S | * | * | trans | -71.9 | 117.6 | 175.8 | -71.6 | -175.7 | 179.4 | -168.4 | -0 | 106.5 | R6 | R6-R8 VanDerWaalsContact C-N 3.26Å; R6-R8 PolarHBondContact O-N 2.93Å | ||
| 9 | C | 77.3 | Confident | 69.8 | Low | 74 Ų | 74 | 126.9 Ų | 126.9 | 50% | 0.5 | 65% | 0.652 | S | S | . | * | trans | -44.5 | 132.2 | 175.8 | -176.7 | 0 | 0 | 0 | 0 | 110.4 | V7 F11 A12 L13 | V7-C9 PolarHBondContact O-N 3.17Å; C9-F11 PolarHBondContact O-N 3.33Å; C9-F11 VanDerWaalsContact O-N 3.14Å; C9-A12 HydrophobicContact CB-CB 4.2Å; C9-A12 WeakPolarHBondContact O-CA 2.86Å; C9-A12 WeakPolarHBondContact O-CB 3.49Å; C9-A12 PolarHBondContact O-N 3.46Å; C9-L13 PolarHBondContact O-N 3.31Å; C9-L13 VanDerWaalsContact O-N 3.12Å | ||
| 10 | P | 80.7 | Confident | 70.6 | Confident | 104 Ų | 104 | 123.4 Ų | 123.4 | 68% | 0.675 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -56.4 | -31.8 | -179.1 | 19 | -30.5 | 0 | 0 | 0 | 112.6 | L13 L14 | P10-L13 WeakPolarHBondContact O-CB 3.28Å; P10-L13 PolarHBondContact O-N 3.29Å; P10-L14 PolarHBondContact O-N 3.26Å |
| 11 | F | 84 | Confident | 71.4 | Confident | 142 Ų | 142 | 120.5 Ų | 120.5 | 62% | 0.623 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -63.5 | -39 | 172.2 | -171.6 | -99.8 | 0 | 0 | 0 | 112.6 | C9 L14 L15 | C9-F11 PolarHBondContact O-N 3.33Å; C9-F11 VanDerWaalsContact O-N 3.14Å; F11-L14 PolarHBondContact O-N 3.1Å; F11-L15 HydrophobicContact CD1-CD1 4.28Å; F11-L15 HydrophobicContact CE1-CD1 3.59Å; F11-L15 HydrophobicContact CZ-CD1 3.95Å; F11-L15 PolarHBondContact O-N 2.79Å |
| 12 | A | 82.1 | Confident | 74 | Confident | 39 Ų | 39 | 114.1 Ų | 114.1 | 32% | 0.322 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.9 | -35.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | C9 L15 Y16 | C9-A12 HydrophobicContact CB-CB 4.2Å; C9-A12 WeakPolarHBondContact O-CA 2.86Å; C9-A12 WeakPolarHBondContact O-CB 3.49Å; C9-A12 PolarHBondContact O-N 3.46Å; A12-L15 PolarHBondContact O-N 3.12Å; A12-Y16 WeakPolarHBondContact O-CB 3.41Å; A12-Y16 WeakPolarHBondContact O-CD2 3.45Å; A12-Y16 PolarHBondContact O-N 3.49Å |
| 13 | L | 84.9 | Confident | 75.9 | Confident | 102 Ų | 102 | 112.5 Ų | 112.5 | 53% | 0.534 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.9 | -43.9 | 172.8 | -89.5 | 157.2 | 0 | 0 | 0 | 111.9 | C9 P10 Y16 F17 | C9-L13 PolarHBondContact O-N 3.31Å; C9-L13 VanDerWaalsContact O-N 3.12Å; P10-L13 WeakPolarHBondContact O-CB 3.28Å; P10-L13 PolarHBondContact O-N 3.29Å; L13-Y16 PolarHBondContact O-N 2.91Å; L13-F17 WeakPolarHBondContact O-CB 3.43Å; L13-F17 PolarHBondContact O-N 3.29Å |
| 14 | L | 86.6 | Confident | 77.6 | Confident | 97 Ų | 97 | 111.6 Ų | 111.6 | 51% | 0.508 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.6 | -43.4 | 174.8 | -177.3 | 67.4 | 0 | 0 | 0 | 111.5 | P10 F11 Y16 F17 L18 | P10-L14 PolarHBondContact O-N 3.26Å; F11-L14 PolarHBondContact O-N 3.1Å; L14-Y16 PolarHBondContact O-N 3.48Å; L14-F17 PolarHBondContact O-N 2.94Å; L14-L18 HydrophobicContact CG-CD1 4.27Å; L14-L18 WeakPolarHBondContact O-CG 3.2Å; L14-L18 PolarHBondContact O-N 2.92Å |
| 15 | L | 88.3 | Confident | 79.4 | Confident | 100 Ų | 100 | 109.7 Ų | 109.7 | 52% | 0.524 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.5 | -39.9 | 177.9 | -137.7 | 119.6 | 0 | 0 | 0 | 111.8 | F11 A12 A19 | F11-L15 HydrophobicContact CD1-CD1 4.28Å; F11-L15 HydrophobicContact CE1-CD1 3.59Å; F11-L15 HydrophobicContact CZ-CD1 3.95Å; F11-L15 PolarHBondContact O-N 2.79Å; A12-L15 PolarHBondContact O-N 3.12Å; L15-A19 VanDerWaalsContact O-CB 3.3Å; L15-A19 WeakPolarHBondContact O-CB 3.18Å; L15-A19 PolarHBondContact O-N 3.15Å |
| 16 | Y | 86.7 | Confident | 80.9 | Confident | 156 Ų | 156 | 104.6 Ų | 104.6 | 61% | 0.612 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64 | -41.4 | 172.9 | -102.3 | -85.2 | 0 | 0 | 0 | 112.2 | A12 L13 L14 A19 A20 | A12-Y16 WeakPolarHBondContact O-CB 3.41Å; A12-Y16 WeakPolarHBondContact O-CD2 3.45Å; A12-Y16 PolarHBondContact O-N 3.49Å; L13-Y16 PolarHBondContact O-N 2.91Å; L14-Y16 PolarHBondContact O-N 3.48Å; Y16-A19 PolarHBondContact O-N 3.02Å; Y16-A20 WeakPolarHBondContact O-CB 3.32Å; Y16-A20 PolarHBondContact O-N 2.79Å |
| 17 | F | 87.8 | Confident | 82.1 | Confident | 135 Ų | 135 | 98 Ų | 98 | 59% | 0.592 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.4 | -47.1 | 176.7 | 178.8 | -100 | 0 | 0 | 0 | 111.3 | L13 L14 A19 A20 V21 | L13-F17 WeakPolarHBondContact O-CB 3.43Å; L13-F17 PolarHBondContact O-N 3.29Å; L14-F17 PolarHBondContact O-N 2.94Å; F17-A19 VanDerWaalsContact C-N 3.34Å; F17-A19 PolarHBondContact O-N 3.34Å; F17-A20 PolarHBondContact O-N 2.74Å; F17-V21 HydrophobicContact CD1-CG2 4.25Å; F17-V21 HydrophobicContact CE1-CG2 3.85Å; F17-V21 HydrophobicContact CE2-CG2 4.18Å; F17-V21 HydrophobicContact CZ-CG2 3.81Å; F17-V21 WeakPolarHBondContact O-CG2 3.28Å; F17-V21 PolarHBondContact O-N 3.42Å |
| 18 | L | 90.8 | Very high | 82.9 | Confident | 90 Ų | 90 | 94.2 Ų | 94.2 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.8 | -44.2 | 174.9 | -72.2 | 171.2 | 0 | 0 | 0 | 111.4 | L14 A20 V21 I22 | L14-L18 HydrophobicContact CG-CD1 4.27Å; L14-L18 WeakPolarHBondContact O-CG 3.2Å; L14-L18 PolarHBondContact O-N 2.92Å; L18-A20 VanDerWaalsContact C-N 3.33Å; L18-A20 PolarHBondContact O-N 3.5Å; L18-V21 PolarHBondContact O-N 3.41Å; L18-I22 WeakPolarHBondContact O-CB 3.33Å; L18-I22 WeakPolarHBondContact O-CD1 3.03Å; L18-I22 WeakPolarHBondContact O-CG1 3.35Å; L18-I22 PolarHBondContact O-N 3.32Å |
| 19 | A | 87.4 | Confident | 83.6 | Confident | 55 Ų | 55 | 89.6 Ų | 89.6 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -39.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L15 Y16 F17 S23 | L15-A19 VanDerWaalsContact O-CB 3.3Å; L15-A19 WeakPolarHBondContact O-CB 3.18Å; L15-A19 PolarHBondContact O-N 3.15Å; Y16-A19 PolarHBondContact O-N 3.02Å; F17-A19 VanDerWaalsContact C-N 3.34Å; F17-A19 PolarHBondContact O-N 3.34Å; A19-S23 VanDerWaalsContact O-CB 3.22Å; A19-S23 WeakPolarHBondContact O-CB 3.4Å; A19-S23 PolarHBondContact O-N 2.88Å |
| 20 | A | 85.7 | Confident | 83.2 | Confident | 56 Ų | 56 | 89.8 Ų | 89.8 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67 | -41 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y16 F17 L18 S23 S24 | Y16-A20 WeakPolarHBondContact O-CB 3.32Å; Y16-A20 PolarHBondContact O-N 2.79Å; F17-A20 PolarHBondContact O-N 2.74Å; L18-A20 VanDerWaalsContact C-N 3.33Å; L18-A20 PolarHBondContact O-N 3.5Å; A20-S23 PolarHBondContact O-N 3.5Å; A20-S24 WeakPolarHBondContact O-CB 2.87Å; A20-S24 PolarHBondContact O-N 3.46Å; A20-S24 PolarHBondContact O-OG 3.42Å |
| 21 | V | 88.4 | Confident | 82.6 | Confident | 64 Ų | 64 | 86 Ų | 86 | 39% | 0.388 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.2 | -41.6 | 175.9 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | F17 L18 S23 S24 L25 | F17-V21 HydrophobicContact CD1-CG2 4.25Å; F17-V21 HydrophobicContact CE1-CG2 3.85Å; F17-V21 HydrophobicContact CE2-CG2 4.18Å; F17-V21 HydrophobicContact CZ-CG2 3.81Å; F17-V21 WeakPolarHBondContact O-CG2 3.28Å; F17-V21 PolarHBondContact O-N 3.42Å; L18-V21 PolarHBondContact O-N 3.41Å; V21-S23 VanDerWaalsContact C-N 3.33Å; V21-S24 WeakPolarHBondContact CA-OG 3.33Å; V21-S24 PolarHBondContact O-N 2.89Å; V21-S24 PolarHBondContact O-OG 3.48Å; V21-L25 VanDerWaalsContact O-CB 3.28Å; V21-L25 WeakPolarHBondContact O-CB 3.45Å; V21-L25 PolarHBondContact O-N 2.96Å |
| 22 | I | 89.5 | Confident | 81.9 | Confident | 113 Ų | 113 | 83.2 Ų | 83.2 | 58% | 0.579 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.8 | -43.1 | 175.2 | -68.2 | 164.5 | 0 | 0 | 0 | 110 | L18 L25 L26 | L18-I22 WeakPolarHBondContact O-CB 3.33Å; L18-I22 WeakPolarHBondContact O-CD1 3.03Å; L18-I22 WeakPolarHBondContact O-CG1 3.35Å; L18-I22 PolarHBondContact O-N 3.32Å; I22-L25 PolarHBondContact O-N 3.14Å; I22-L26 VanDerWaalsContact O-CB 3.28Å; I22-L26 WeakPolarHBondContact O-CB 2.87Å; I22-L26 PolarHBondContact O-N 3.45Å |
| 23 | S | 82.5 | Confident | 81.3 | Confident | 78 Ų | 78 | 86.8 Ų | 86.8 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 177.3 | -173.2 | 0 | 0 | 0 | 0 | 112.2 | A19 A20 V21 L26 S27 | A19-S23 VanDerWaalsContact O-CB 3.22Å; A19-S23 WeakPolarHBondContact O-CB 3.4Å; A19-S23 PolarHBondContact O-N 2.88Å; A20-S23 PolarHBondContact O-N 3.5Å; V21-S23 VanDerWaalsContact C-N 3.33Å; S23-L26 PolarHBondContact O-N 3.27Å; S23-S27 PolarHBondContact O-N 3.16Å; S23-S27 PolarHBondContact O-OG 3.19Å |
| 24 | S | 82.5 | Confident | 80.8 | Confident | 64 Ų | 64 | 82.2 Ų | 82.2 | 45% | 0.448 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.5 | -35 | 177.9 | 66.3 | 0 | 0 | 0 | 0 | 113 | A20 V21 S27 A28 | A20-S24 WeakPolarHBondContact O-CB 2.87Å; A20-S24 PolarHBondContact O-N 3.46Å; A20-S24 PolarHBondContact O-OG 3.42Å; V21-S24 WeakPolarHBondContact CA-OG 3.33Å; V21-S24 PolarHBondContact O-N 2.89Å; V21-S24 PolarHBondContact O-OG 3.48Å; S24-S27 WeakPolarHBondContact CA-OG 2.93Å; S24-S27 PolarHBondContact O-OG 2.88Å; S24-A28 VanDerWaalsContact O-CB 3.26Å; S24-A28 WeakPolarHBondContact O-CB 3.39Å; S24-A28 PolarHBondContact O-N 3.33Å |
| 25 | L | 84.1 | Confident | 80.3 | Confident | 115 Ų | 115 | 79.1 Ų | 79.1 | 60% | 0.602 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -68.1 | -39.3 | 173.8 | -170.5 | 66.3 | 0 | 0 | 0 | 110.9 | V21 I22 A28 T29 | V21-L25 VanDerWaalsContact O-CB 3.28Å; V21-L25 WeakPolarHBondContact O-CB 3.45Å; V21-L25 PolarHBondContact O-N 2.96Å; I22-L25 PolarHBondContact O-N 3.14Å; L25-A28 PolarHBondContact O-N 2.91Å; L25-T29 WeakPolarHBondContact O-CB 3.43Å; L25-T29 VanDerWaalsContact O-CG2 3.26Å; L25-T29 WeakPolarHBondContact O-CG2 2.96Å; L25-T29 PolarHBondContact O-N 3.01Å; L25-T29 PolarHBondContact O-OG1 3.32Å |
| 26 | L | 80.9 | Confident | 79.9 | Confident | 109 Ų | 109 | 74.7 Ų | 74.7 | 57% | 0.571 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66.3 | -41.3 | 176.2 | -168.5 | 68.4 | 0 | 0 | 0 | 111.4 | I22 S23 T29 M30 | I22-L26 VanDerWaalsContact O-CB 3.28Å; I22-L26 WeakPolarHBondContact O-CB 2.87Å; I22-L26 PolarHBondContact O-N 3.45Å; S23-L26 PolarHBondContact O-N 3.27Å; L26-T29 WeakPolarHBondContact CA-OG1 3.43Å; L26-T29 PolarHBondContact O-OG1 2.9Å; L26-M30 WeakPolarHBondContact O-CB 3.4Å; L26-M30 VanDerWaalsContact O-CG 3.24Å; L26-M30 WeakPolarHBondContact O-CG 3.32Å; L26-M30 PolarHBondContact O-N 3.07Å |
| 27 | S | 76.1 | Confident | 79.6 | Confident | 72 Ų | 72 | 67.6 Ų | 67.6 | 50% | 0.503 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.3 | -40.9 | 175.8 | 65.6 | 0 | 0 | 0 | 0 | 112.4 | S23 S24 M30 A31 | S23-S27 PolarHBondContact O-N 3.16Å; S23-S27 PolarHBondContact O-OG 3.19Å; S24-S27 WeakPolarHBondContact CA-OG 2.93Å; S24-S27 PolarHBondContact O-OG 2.88Å; S27-M30 PolarHBondContact O-N 2.85Å; S27-A31 WeakPolarHBondContact O-CB 3.4Å; S27-A31 PolarHBondContact O-N 3.3Å |
| 28 | A | 73.9 | Confident | 79.4 | Confident | 56 Ų | 56 | 65.3 Ų | 65.3 | 46% | 0.463 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | S24 L25 A31 A32 | S24-A28 VanDerWaalsContact O-CB 3.26Å; S24-A28 WeakPolarHBondContact O-CB 3.39Å; S24-A28 PolarHBondContact O-N 3.33Å; L25-A28 PolarHBondContact O-N 2.91Å; A28-A31 PolarHBondContact O-N 2.72Å; A28-A32 WeakPolarHBondContact O-CB 3.26Å; A28-A32 PolarHBondContact O-N 3.04Å |
| 29 | T | 74.7 | Confident | 79.1 | Confident | 60 Ų | 60 | 61.6 Ų | 61.6 | 37% | 0.368 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.4 | -41.4 | 175.7 | 48.6 | 0 | 0 | 0 | 0 | 112.1 | L25 L26 A32 L33 | L25-T29 WeakPolarHBondContact O-CB 3.43Å; L25-T29 VanDerWaalsContact O-CG2 3.26Å; L25-T29 WeakPolarHBondContact O-CG2 2.96Å; L25-T29 PolarHBondContact O-N 3.01Å; L25-T29 PolarHBondContact O-OG1 3.32Å; L26-T29 WeakPolarHBondContact CA-OG1 3.43Å; L26-T29 PolarHBondContact O-OG1 2.9Å; T29-A32 PolarHBondContact O-N 3.06Å; T29-L33 WeakPolarHBondContact O-CB 3.35Å; T29-L33 WeakPolarHBondContact O-CG 3.46Å; T29-L33 PolarHBondContact O-N 3.36Å |
| 30 | M | 70.5 | Confident | 79.2 | Confident | 78 Ų | 78 | 61.1 Ų | 61.1 | 38% | 0.384 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 173 | -71.8 | -66.6 | 99.4 | 0 | 0 | 112.2 | L26 S27 L33 S34 Y82 | L26-M30 WeakPolarHBondContact O-CB 3.4Å; L26-M30 VanDerWaalsContact O-CG 3.24Å; L26-M30 WeakPolarHBondContact O-CG 3.32Å; L26-M30 PolarHBondContact O-N 3.07Å; S27-M30 PolarHBondContact O-N 2.85Å; M30-L33 HydrophobicContact CE-CD1 3.8Å; M30-L33 PolarHBondContact O-N 2.68Å; M30-S34 WeakPolarHBondContact O-CB 3.42Å; M30-S34 PolarHBondContact O-N 3.28Å; M30-S34 VanDerWaalsContact O-N 3.08Å; M30-Y82 HydrophobicContact CB-CD1 4.48Å; M30-Y82 HydrophobicContact CB-CE1 4.18Å; M30-Y82 WeakPolarHBondContact O-CE1 3.46Å |
| 31 | A | 68 | Low | 79.4 | Confident | 24 Ų | 24 | 59.7 Ų | 59.7 | 20% | 0.198 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S27 A28 L33 S34 | S27-A31 WeakPolarHBondContact O-CB 3.4Å; S27-A31 PolarHBondContact O-N 3.3Å; A28-A31 PolarHBondContact O-N 2.72Å; A31-L33 PolarHBondContact O-N 3.15Å; A31-S34 PolarHBondContact O-N 3.47Å; A31-S34 PolarHBondContact O-OG 2.94Å |
| 32 | A | 68.3 | Low | 79.5 | Confident | 84 Ų | 84 | 60.5 Ų | 60.5 | 69% | 0.694 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -66.2 | -24.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A28 T29 | A28-A32 WeakPolarHBondContact O-CB 3.26Å; A28-A32 PolarHBondContact O-N 3.04Å; T29-A32 PolarHBondContact O-N 3.06Å |
| 33 | L | 70.6 | Confident | 79.5 | Confident | 115 Ų | 115 | 57.5 Ų | 57.5 | 60% | 0.602 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -88.4 | -13 | 173.6 | -73 | 165.2 | 0 | 0 | 0 | 112.9 | T29 M30 A31 | T29-L33 WeakPolarHBondContact O-CB 3.35Å; T29-L33 WeakPolarHBondContact O-CG 3.46Å; T29-L33 PolarHBondContact O-N 3.36Å; M30-L33 HydrophobicContact CE-CD1 3.8Å; M30-L33 PolarHBondContact O-N 2.68Å; A31-L33 PolarHBondContact O-N 3.15Å |
| 34 | S | 73.6 | Confident | 79.7 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | trans | -83.9 | 149.8 | -180 | 76.2 | 0 | 0 | 0 | 0 | 112.1 | M30 A31 C81 | M30-S34 WeakPolarHBondContact O-CB 3.42Å; M30-S34 PolarHBondContact O-N 3.28Å; M30-S34 VanDerWaalsContact O-N 3.08Å; A31-S34 PolarHBondContact O-N 3.47Å; A31-S34 PolarHBondContact O-OG 2.94Å; S34-C81 WeakPolarHBondContact CA-O 3.48Å | ||
| 35 | Y | 77.2 | Confident | 79.8 | Confident | 32 Ų | 32 | 67.1 Ų | 67.1 | 13% | 0.125 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 149.9 | 177.4 | 56.7 | -88.9 | 0 | 0 | 0 | 109.9 | I37 Y63 D64 V80 C81 S83 L85 L109 | Y35-I37 HydrophobicContact CD2-CD1 4.41Å; Y35-I37 HydrophobicContact CD2-CG1 3.97Å; Y35-I37 HydrophobicContact CE2-CD1 3.91Å; Y35-I37 HydrophobicContact CE2-CG1 3.81Å; Y35-Y63 AromaticContact CD2-CD1 3.68Å; Y35-Y63 HydrophobicContact CD2-CD1 3.68Å; Y35-Y63 HydrophobicContact CD2-CE1 4.42Å; Y35-Y63 AromaticContact CE2-CD1 3.65Å; Y35-Y63 HydrophobicContact CE2-CD1 3.65Å; Y35-Y63 AromaticContact CE2-CE1 3.93Å; Y35-Y63 HydrophobicContact CE2-CE1 3.93Å; Y35-D64 CarbonylContact C-O 3.55Å; Y35-D64 WeakPolarHBondContact CA-O 3.05Å; Y35-V80 WeakPolarHBondContact O-CA 3.5Å; Y35-C81 HydrophobicContact CD2-CB 4.38Å; Y35-C81 HydrophobicContact CE1-CB 4.35Å; Y35-C81 HydrophobicContact CE2-CB 3.8Å; Y35-C81 PolarHBondContact N-O 3.42Å; Y35-C81 PolarHBondContact O-N 3.24Å; Y35-S83 PolarHBondContact OH-O 3.48Å; Y35-L85 HydrophobicContact CE2-CD1 3.39Å; Y35-L85 WeakPolarHBondContact OH-CD1 3.46Å; Y35-L109 HydrophobicContact CE1-CD1 4.27Å; Y35-L109 WeakPolarHBondContact OH-CD1 3.44Å |
| 36 | A | 78.6 | Confident | 79.5 | Confident | 6 Ų | 6 | 63.7 Ų | 63.7 | 5% | 0.05 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 146.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y63 D64 V66 | A36-Y63 WeakPolarHBondContact O-CA 3.43Å; A36-D64 HydrophobicContact CB-CB 4.43Å; A36-D64 PolarHBondContact N-O 3.03Å; A36-D64 PolarHBondContact O-N 3.42Å; A36-V66 HydrophobicContact CB-CG2 4.13Å |
| 37 | I | 80.1 | Confident | 79.6 | Confident | 7 Ų | 7 | 66.6 Ų | 66.6 | 4% | 0.036 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 132.3 | 177.6 | -61.1 | 139.6 | 0 | 0 | 0 | 110.4 | Y35 V39 V61 R62 Y63 K79 C81 L85 | Y35-I37 HydrophobicContact CD2-CD1 4.41Å; Y35-I37 HydrophobicContact CD2-CG1 3.97Å; Y35-I37 HydrophobicContact CE2-CD1 3.91Å; Y35-I37 HydrophobicContact CE2-CG1 3.81Å; I37-V39 HydrophobicContact CG2-CG2 4.02Å; I37-V61 HydrophobicContact CG2-CG1 3.68Å; I37-R62 WeakPolarHBondContact CA-O 3.32Å; I37-Y63 HydrophobicContact CG1-CD1 4.38Å; I37-K79 PolarHBondContact N-O 2.9Å; I37-K79 VanDerWaalsContact N-O 3.11Å; I37-C81 HydrophobicContact CD1-CB 3.93Å; I37-C81 WeakPolarHBondContact CD1-SG 3.26Å; I37-L85 HydrophobicContact CD1-CD1 3.48Å; I37-L85 VanDerWaalsContact CD1-CD1 3.48Å; I37-L85 HydrophobicContact CD1-CD2 3.71Å; I37-L85 HydrophobicContact CD1-CG 3.95Å; I37-L85 HydrophobicContact CG1-CD1 4.04Å; I37-L85 HydrophobicContact CG1-CD2 4.16Å; I37-L85 HydrophobicContact CG2-CD2 4.42Å |
| 38 | N | 83.3 | Confident | 80.1 | Confident | 88 Ų | 88 | 67.1 Ų | 67.1 | 47% | 0.471 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139.6 | 165.3 | -164.5 | 3.2 | 0 | 0 | 0 | 110.3 | R62 | N38-R62 PolarHBondContact N-O 3.24Å; N38-R62 PolarHBondContact O-N 3.1Å |
| 39 | V | 85.6 | Confident | 80.9 | Confident | 12 Ų | 12 | 65 Ų | 65 | 7% | 0.073 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 124.2 | -179.9 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | I37 F41 A59 L60 V61 F136 F152 | I37-V39 HydrophobicContact CG2-CG2 4.02Å; V39-F41 HydrophobicContact CG1-CE1 4.38Å; V39-F41 HydrophobicContact CG1-CZ 4.22Å; V39-A59 HydrophobicContact CG1-CB 4.01Å; V39-L60 WeakPolarHBondContact CA-O 3.46Å; V39-V61 HydrophobicContact CG2-CG1 4.43Å; V39-V61 HydrophobicContact CG2-CG2 4.28Å; V39-F136 HydrophobicContact CG1-CD1 4.07Å; V39-F136 HydrophobicContact CG1-CE1 3.99Å; V39-F136 HydrophobicContact CG2-CD1 4.31Å; V39-F136 HydrophobicContact CG2-CE1 3.91Å; V39-F152 HydrophobicContact CB-CD1 3.87Å; V39-F152 HydrophobicContact CB-CD2 4.01Å; V39-F152 HydrophobicContact CB-CE1 3.93Å; V39-F152 HydrophobicContact CB-CE2 4.07Å; V39-F152 HydrophobicContact CB-CG 3.9Å; V39-F152 HydrophobicContact CB-CZ 4.02Å; V39-F152 HydrophobicContact CG2-CD1 4.37Å; V39-F152 HydrophobicContact CG2-CD2 3.77Å; V39-F152 HydrophobicContact CG2-CE1 4.13Å; V39-F152 HydrophobicContact CG2-CE2 3.49Å; V39-F152 VanDerWaalsContact CG2-CE2 3.49Å; V39-F152 HydrophobicContact CG2-CG 4.2Å; V39-F152 HydrophobicContact CG2-CZ 3.67Å |
| 40 | S | 88.2 | Confident | 81.7 | Confident | 44 Ų | 44 | 63.8 Ų | 63.8 | 31% | 0.308 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 146.7 | 171.9 | 53.2 | 0 | 0 | 0 | 0 | 109.4 | A59 L60 | S40-A59 CarbonylContact O-C 3.42Å; S40-L60 PolarHBondContact N-O 3.35Å; S40-L60 PolarHBondContact O-N 2.96Å; S40-L60 WeakPolarHBondContact OG-CB 3.31Å; S40-L60 PolarHBondContact OG-O 3.24Å |
| 41 | F | 91.4 | Very high | 82.5 | Confident | 26 Ų | 26 | 61.9 Ų | 61.9 | 11% | 0.114 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 142.2 | -179.7 | -62.7 | -79.5 | 0 | 0 | 0 | 110.4 | V39 P43 E44 V57 S58 A59 F122 F136 F152 Y154 | V39-F41 HydrophobicContact CG1-CE1 4.38Å; V39-F41 HydrophobicContact CG1-CZ 4.22Å; F41-P43 CarbonylContact O-C 3.56Å; F41-E44 VanDerWaalsContact O-CA 3.25Å; F41-E44 WeakPolarHBondContact O-CA 3.32Å; F41-E44 PolarHBondContact O-N 2.71Å; F41-V57 HydrophobicContact CB-CG1 4.33Å; F41-V57 HydrophobicContact CD1-CG1 4.06Å; F41-S58 CarbonylContact C-O 3.57Å; F41-S58 WeakPolarHBondContact CA-O 3.38Å; F41-A59 HydrophobicContact CD1-CB 4.08Å; F41-A59 HydrophobicContact CE1-CB 3.99Å; F41-F122 HydrophobicContact CD1-CE1 4.48Å; F41-F122 HydrophobicContact CD1-CZ 4.2Å; F41-F122 HydrophobicContact CE1-CE1 4.3Å; F41-F122 HydrophobicContact CE1-CZ 4.09Å; F41-F136 HydrophobicContact CE1-CB 4.12Å; F41-F136 HydrophobicContact CE1-CG 4.36Å; F41-F136 HydrophobicContact CZ-CB 3.93Å; F41-F136 HydrophobicContact CZ-CG 4.43Å; F41-F152 HydrophobicContact CE2-CB 4.08Å; F41-F152 HydrophobicContact CZ-CB 3.93Å; F41-Y154 HydrophobicContact CB-CD2 3.52Å; F41-Y154 HydrophobicContact CB-CE2 3.52Å; F41-Y154 HydrophobicContact CB-CG 4.47Å; F41-Y154 HydrophobicContact CD1-CD2 4.08Å; F41-Y154 HydrophobicContact CD1-CG 4.28Å; F41-Y154 AromaticContact CD2-CD2 3.67Å; F41-Y154 HydrophobicContact CD2-CD2 3.67Å; F41-Y154 HydrophobicContact CD2-CE2 4.49Å; F41-Y154 HydrophobicContact CD2-CG 4.34Å; F41-Y154 HydrophobicContact CE2-CD2 4.38Å; F41-Y154 AromaticContact CG-CD2 3.48Å; F41-Y154 HydrophobicContact CG-CD2 3.48Å; F41-Y154 VanDerWaalsContact CG-CD2 3.48Å; F41-Y154 HydrophobicContact CG-CE2 4.04Å; F41-Y154 HydrophobicContact CG-CG 4.11Å |
| 42 | V | 89.8 | Confident | 83.6 | Confident | 81 Ų | 81 | 66.6 Ų | 66.6 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 122.1 | 172 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | V57 S58 | V42-V57 WeakPolarHBondContact O-CA 3.24Å; V42-S58 PolarHBondContact N-O 3.33Å; V42-S58 PolarHBondContact O-N 2.85Å |
| 43 | P | 90.1 | Very high | 84.7 | Confident | 50 Ų | 50 | 66.5 Ų | 66.5 | 33% | 0.325 | 35% | 0.345 | S | S | . | . | S | Bend | cis | -72.1 | 148 | -4.5 | 32.1 | -34.1 | 0 | 0 | 0 | 111.9 | F41 M55 Y154 | F41-P43 CarbonylContact O-C 3.56Å; P43-M55 HydrophobicContact CG-CE 3.07Å; P43-Y154 WeakPolarHBondContact O-CE2 3.5Å; P43-Y154 PolarHBondContact O-OH 2.88Å |
| 44 | E | 86.7 | Confident | 85.7 | Confident | 176 Ų | 176 | 65.8 Ų | 65.8 | 82% | 0.822 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -64.9 | -43.1 | -177.8 | -175.4 | 176.7 | -172.5 | 0 | 0 | 111.8 | F41 | F41-E44 VanDerWaalsContact O-CA 3.25Å; F41-E44 WeakPolarHBondContact O-CA 3.32Å; F41-E44 PolarHBondContact O-N 2.71Å |
| 45 | Q | 83.6 | Confident | 86.6 | Confident | 169 Ų | 169 | 66.5 Ų | 66.5 | 79% | 0.79 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -98.4 | 118.1 | 167.1 | -67 | -171 | -9.1 | 0 | 0 | 109.2 | K47 | Q45-K47 PolarHBondContact O-N 3.11Š|
| 46 | P | 78.9 | Confident | 87.2 | Confident | 43 Ų | 43 | 69.2 Ų | 69.2 | 28% | 0.279 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 135.7 | 176.3 | 10.4 | -10.9 | 0 | 0 | 0 | 110.7 | M55 Y154 K155 V156 | P46-M55 HydrophobicContact CB-CE 4.25Å; P46-M55 HydrophobicContact CB-SD 4.37Å; P46-Y154 WeakPolarHBondContact CA-OH 3.32Å; P46-Y154 HydrophobicContact CB-CE1 3.94Å; P46-Y154 WeakPolarHBondContact CB-OH 3.49Å; P46-Y154 HydrophobicContact CG-CE1 4.09Å; P46-Y154 HydrophobicContact CG-CE2 4.24Å; P46-K155 WeakPolarHBondContact CG-O 3.49Å; P46-V156 HydrophobicContact CB-CG2 4.28Å |
| 47 | K | 83.3 | Confident | 87.8 | Confident | 169 Ų | 169 | 68.9 Ų | 68.9 | 74% | 0.735 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 147.5 | 166.5 | -172.6 | -176.5 | 173.7 | -170.4 | 0 | 108.7 | Q45 L49 | Q45-K47 PolarHBondContact O-N 3.11Å; K47-L49 PolarHBondContact O-N 2.87Å |
| 48 | L | 85.5 | Confident | 88.2 | Confident | 84 Ų | 84 | 70.1 Ų | 70.1 | 44% | 0.44 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 121.2 | 169.7 | -162 | 63.8 | 0 | 0 | 0 | 109.5 | A157 T159 | L48-A157 HydrophobicContact CD1-CB 3.78Å; L48-T159 HydrophobicContact CD1-CG2 3.53Å; L48-T159 HydrophobicContact CD2-CG2 3.6Å; L48-T159 HydrophobicContact CG-CG2 3.58Å |
| 49 | L | 90.7 | Very high | 88.5 | Confident | 10 Ų | 10 | 65.9 Ų | 65.9 | 5% | 0.052 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 131.4 | -178 | -164.4 | 61.8 | 0 | 0 | 0 | 109.3 | K47 D53 M55 G126 V156 A157 V158 T159 | K47-L49 PolarHBondContact O-N 2.87Å; L49-D53 HydrophobicContact CD1-CB 3.56Å; L49-D53 WeakPolarHBondContact CD2-O 3.12Å; L49-D53 HydrophobicContact CG-CB 4.09Å; L49-M55 HydrophobicContact CD1-CB 3.89Å; L49-M55 HydrophobicContact CD2-CB 4.45Å; L49-G126 VanDerWaalsContact CD2-N 3.32Å; L49-V156 HydrophobicContact CB-CG1 4.32Å; L49-V156 HydrophobicContact CD2-CG1 4.36Å; L49-A157 PolarHBondContact N-O 3.31Å; L49-V158 HydrophobicContact CB-CG2 4.49Å; L49-V158 CarbonylContact O-C 3.47Å; L49-V158 WeakPolarHBondContact O-CA 3.3Å; L49-T159 PolarHBondContact O-N 3.5Å; L49-T159 PolarHBondContact O-OG1 2.95Å |
| 50 | T | 90.8 | Very high | 88.6 | Confident | 36 Ų | 36 | 66.7 Ų | 66.7 | 22% | 0.221 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 159.1 | 170.2 | 37.7 | 0 | 0 | 0 | 0 | 111.3 | N52 D53 T159 | T50-N52 PolarHBondContact O-N 2.95Å; T50-D53 WeakPolarHBondContact O-CB 3.37Å; T50-D53 PolarHBondContact O-N 2.83Å; T50-D53 PolarHBondContact OG1-OD1 2.87Å; T50-D53 PolarHBondContact OG1-OD2 3.42Å; T50-T159 CarbonylContact C-O 3.55Å; T50-T159 VanDerWaalsContact CA-O 3.3Å; T50-T159 WeakPolarHBondContact CA-O 3.39Å |
| 51 | E | 89 | Confident | 88.5 | Confident | 38 Ų | 38 | 64.6 Ų | 64.6 | 18% | 0.178 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 131.7 | 173.7 | -76.6 | -179.1 | -178.4 | 0 | 0 | 111 | D53 F128 L129 V158 T159 T161 | E51-D53 PolarHBondContact O-N 3.46Å; E51-F128 WeakPolarHBondContact OE1-CA 3.44Å; E51-L129 PolarHBondContact OE1-N 3.45Å; E51-V158 HydrophobicContact CG-CG1 4.18Å; E51-T159 PolarHBondContact N-O 3.07Å; E51-T161 HydrophobicContact CB-CG2 4.44Å |
| 52 | N | 90.2 | Very high | 88.1 | Confident | 123 Ų | 123 | 68.9 Ų | 68.9 | 66% | 0.658 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | -0.1 | -173.9 | -45.6 | -66.6 | 0 | 0 | 0 | 116.2 | T50 N54 G126 | T50-N52 PolarHBondContact O-N 2.95Å; N52-N54 PolarHBondContact O-OD1 3.43Å; N52-G126 WeakPolarHBondContact CA-O 3.48Å; N52-G126 PolarHBondContact N-O 3.12Å |
| 53 | D | 91.9 | Very high | 87.7 | Confident | 82 Ų | 82 | 66.2 Ų | 66.2 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | trans | -76.8 | 149.7 | 168.9 | -77.8 | 37.6 | 0 | 0 | 0 | 110.1 | L49 T50 E51 G126 | L49-D53 HydrophobicContact CD1-CB 3.56Å; L49-D53 WeakPolarHBondContact CD2-O 3.12Å; L49-D53 HydrophobicContact CG-CB 4.09Å; T50-D53 WeakPolarHBondContact O-CB 3.37Å; T50-D53 PolarHBondContact O-N 2.83Å; T50-D53 PolarHBondContact OG1-OD1 2.87Å; T50-D53 PolarHBondContact OG1-OD2 3.42Å; E51-D53 PolarHBondContact O-N 3.46Å; D53-G126 PolarHBondContact O-N 2.85Å | ||
| 54 | N | 92.1 | Very high | 87.1 | Confident | 99 Ų | 99 | 68 Ų | 68 | 53% | 0.529 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 146 | 179.2 | -65.5 | 6.1 | 0 | 0 | 0 | 109.7 | N52 V123 V124 T125 | N52-N54 PolarHBondContact O-OD1 3.43Å; N54-V123 HydrophobicContact CB-CG1 3.8Å; N54-V124 CarbonylContact C-O 3.58Å; N54-V124 WeakPolarHBondContact CA-O 3.24Å; N54-T125 WeakPolarHBondContact OD1-CG2 3.4Å; N54-T125 PolarHBondContact OD1-OG1 3.35Å; N54-T125 VanDerWaalsContact OD1-OG1 3.07Å |
| 55 | M | 91.3 | Very high | 86.3 | Confident | 22 Ų | 22 | 64 Ų | 64 | 11% | 0.108 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 120.4 | 177.1 | 180 | -177.1 | 177.2 | 0 | 0 | 109.5 | P43 P46 L49 V57 V124 | P43-M55 HydrophobicContact CG-CE 3.07Å; P46-M55 HydrophobicContact CB-CE 4.25Å; P46-M55 HydrophobicContact CB-SD 4.37Å; L49-M55 HydrophobicContact CD1-CB 3.89Å; L49-M55 HydrophobicContact CD2-CB 4.45Å; M55-V57 HydrophobicContact CE-CG2 4.2Å; M55-V57 HydrophobicContact CG-CG2 4.23Å; M55-V57 HydrophobicContact SD-CG2 4.36Å; M55-V124 PolarHBondContact N-O 2.96Å; M55-V124 PolarHBondContact O-N 3.41Å |
| 56 | T | 90.6 | Very high | 85.5 | Confident | 88 Ų | 88 | 58.1 Ų | 58.1 | 54% | 0.54 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 123.5 | 172.1 | -49 | 0 | 0 | 0 | 0 | 109.3 | ||
| 57 | V | 90.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 133.8 | 176.4 | -178.8 | 0 | 0 | 0 | 0 | 108 | F41 V42 M55 T121 F122 V124 Y154 | F41-V57 HydrophobicContact CB-CG1 4.33Å; F41-V57 HydrophobicContact CD1-CG1 4.06Å; V42-V57 WeakPolarHBondContact O-CA 3.24Å; M55-V57 HydrophobicContact CE-CG2 4.2Å; M55-V57 HydrophobicContact CG-CG2 4.23Å; M55-V57 HydrophobicContact SD-CG2 4.36Å; V57-T121 WeakPolarHBondContact O-CA 3.39Å; V57-F122 HydrophobicContact CB-CD2 4.15Å; V57-F122 HydrophobicContact CB-CE1 4.31Å; V57-F122 HydrophobicContact CB-CE2 3.61Å; V57-F122 HydrophobicContact CB-CZ 3.7Å; V57-F122 HydrophobicContact CG1-CE1 4.13Å; V57-F122 HydrophobicContact CG1-CE2 3.92Å; V57-F122 HydrophobicContact CG1-CZ 3.51Å; V57-F122 HydrophobicContact CG2-CE2 4.2Å; V57-F122 PolarHBondContact N-O 3.29Å; V57-F122 PolarHBondContact O-N 2.88Å; V57-V124 HydrophobicContact CG2-CG2 3.89Å; V57-Y154 HydrophobicContact CB-CE1 4.44Å; V57-Y154 HydrophobicContact CG1-CD1 4.23Å; V57-Y154 HydrophobicContact CG1-CE1 3.92Å; V57-Y154 HydrophobicContact CG1-CE2 4.47Å; V57-Y154 HydrophobicContact CG2-CD1 4.29Å; V57-Y154 HydrophobicContact CG2-CE1 3.62Å |
| 58 | S | 88.8 | Confident | 83.5 | Confident | 32 Ų | 32 | 57.3 Ų | 57.3 | 22% | 0.224 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 118.5 | 175 | -52.8 | 0 | 0 | 0 | 0 | 109.7 | F41 V42 I120 T121 | F41-S58 CarbonylContact C-O 3.57Å; F41-S58 WeakPolarHBondContact CA-O 3.38Å; V42-S58 PolarHBondContact N-O 3.33Å; V42-S58 PolarHBondContact O-N 2.85Å; S58-I120 CarbonylContact C-O 3.59Å; S58-I120 WeakPolarHBondContact CA-O 3.24Å; S58-T121 WeakPolarHBondContact OG-CG2 3.43Å |
| 59 | A | 89.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 110.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | V39 S40 F41 N119 I120 F122 F136 | V39-A59 HydrophobicContact CG1-CB 4.01Å; S40-A59 CarbonylContact O-C 3.42Å; F41-A59 HydrophobicContact CD1-CB 4.08Å; F41-A59 HydrophobicContact CE1-CB 3.99Å; A59-N119 WeakPolarHBondContact O-CA 3.21Å; A59-I120 PolarHBondContact N-O 3.27Å; A59-I120 PolarHBondContact O-N 3.46Å; A59-F122 HydrophobicContact CB-CE1 4.13Å; A59-F136 HydrophobicContact CB-CD2 3.94Å; A59-F136 HydrophobicContact CB-CE2 3.55Å; A59-F136 HydrophobicContact CB-CZ 3.88Å |
| 60 | L | 88.2 | Confident | 80 | Confident | 28 Ų | 28 | 63 Ų | 63 | 15% | 0.147 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 107 | 172.2 | 173.1 | 68.3 | 0 | 0 | 0 | 108.6 | V39 S40 R62 N117 N119 | V39-L60 WeakPolarHBondContact CA-O 3.46Å; S40-L60 PolarHBondContact N-O 3.35Å; S40-L60 PolarHBondContact O-N 2.96Å; S40-L60 WeakPolarHBondContact OG-CB 3.31Å; S40-L60 PolarHBondContact OG-O 3.24Å; L60-R62 HydrophobicContact CG-CG 4.37Å; L60-N117 HydrophobicContact CD1-CB 3.8Å; L60-N119 WeakPolarHBondContact CD1-OD1 3.41Å |
| 61 | V | 86.1 | Confident | 77.6 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 117.7 | 177.2 | -171.5 | 0 | 0 | 0 | 0 | 108.5 | I37 V39 Y63 F87 N117 K118 I120 F136 | I37-V61 HydrophobicContact CG2-CG1 3.68Å; V39-V61 HydrophobicContact CG2-CG1 4.43Å; V39-V61 HydrophobicContact CG2-CG2 4.28Å; V61-Y63 HydrophobicContact CB-CE2 4.32Å; V61-Y63 HydrophobicContact CG1-CE1 4.34Å; V61-Y63 HydrophobicContact CG1-CE2 3.91Å; V61-F87 HydrophobicContact CB-CZ 4.46Å; V61-F87 HydrophobicContact CG1-CE1 4.14Å; V61-F87 HydrophobicContact CG1-CZ 4.1Å; V61-F87 HydrophobicContact CG2-CE1 3.7Å; V61-F87 HydrophobicContact CG2-CZ 3.96Å; V61-N117 WeakPolarHBondContact O-CA 3.34Å; V61-K118 HydrophobicContact CB-CB 4.33Å; V61-K118 PolarHBondContact N-O 2.88Å; V61-K118 PolarHBondContact O-N 2.84Å; V61-I120 HydrophobicContact CG2-CD1 4.19Å; V61-F136 HydrophobicContact CG2-CE1 4.4Å; V61-F136 HydrophobicContact CG2-CZ 4.09Å |
| 62 | R | 82.5 | Confident | 75.4 | Confident | 117 Ų | 117 | 71 Ų | 71 | 44% | 0.442 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 138.9 | 174.7 | -62 | -170.9 | 178.6 | 165.2 | 1.4 | 109.7 | I37 N38 L60 | I37-R62 WeakPolarHBondContact CA-O 3.32Å; N38-R62 PolarHBondContact N-O 3.24Å; N38-R62 PolarHBondContact O-N 3.1Å; L60-R62 HydrophobicContact CG-CG 4.37Å |
| 63 | Y | 81.1 | Confident | 73.2 | Confident | 25 Ų | 25 | 69.6 Ų | 69.6 | 10% | 0.098 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 114.2 | 179 | -58.4 | -95.4 | 0 | 0 | 0 | 108.2 | Y35 A36 I37 V61 L85 L109 N116 K118 | Y35-Y63 AromaticContact CD2-CD1 3.68Å; Y35-Y63 HydrophobicContact CD2-CD1 3.68Å; Y35-Y63 HydrophobicContact CD2-CE1 4.42Å; Y35-Y63 AromaticContact CE2-CD1 3.65Å; Y35-Y63 HydrophobicContact CE2-CD1 3.65Å; Y35-Y63 AromaticContact CE2-CE1 3.93Å; Y35-Y63 HydrophobicContact CE2-CE1 3.93Å; A36-Y63 WeakPolarHBondContact O-CA 3.43Å; I37-Y63 HydrophobicContact CG1-CD1 4.38Å; V61-Y63 HydrophobicContact CB-CE2 4.32Å; V61-Y63 HydrophobicContact CG1-CE1 4.34Å; V61-Y63 HydrophobicContact CG1-CE2 3.91Å; Y63-L85 HydrophobicContact CE1-CD1 3.88Å; Y63-L109 HydrophobicContact CE1-CD2 4.2Å; Y63-N116 WeakPolarHBondContact CD2-O 3.41Å; Y63-N116 WeakPolarHBondContact CE2-O 3.43Å; Y63-K118 HydrophobicContact CE2-CB 3.99Å |
| 64 | D | 76.9 | Confident | 70.8 | Confident | 87 Ų | 87 | 76.1 Ų | 76.1 | 47% | 0.465 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 130.7 | 178.4 | -62.7 | -47.5 | 0 | 0 | 0 | 108.9 | Y35 A36 V66 | Y35-D64 CarbonylContact C-O 3.55Å; Y35-D64 WeakPolarHBondContact CA-O 3.05Å; A36-D64 HydrophobicContact CB-CB 4.43Å; A36-D64 PolarHBondContact N-O 3.03Å; A36-D64 PolarHBondContact O-N 3.42Å; D64-V66 PolarHBondContact O-N 3.28Å |
| 65 | A | 70.5 | Confident | 68.4 | Low | 91 Ų | 91 | 76.6 Ų | 76.6 | 75% | 0.752 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 129.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | T67 | A65-T67 PolarHBondContact O-N 2.96Å |
| 66 | V | 67.3 | Low | 66.4 | Low | 47 Ų | 47 | 84.4 Ų | 84.4 | 29% | 0.285 | 47% | 0.468 | S | S | . | . | trans | -79.8 | 115.2 | 176.9 | -180 | 0 | 0 | 0 | 0 | 108.6 | A36 D64 V80 | A36-V66 HydrophobicContact CB-CG2 4.13Å; D64-V66 PolarHBondContact O-N 3.28Å; V66-V80 HydrophobicContact CG2-CG1 4.34Å; V66-V80 HydrophobicContact CG2-CG2 4.32Å | ||
| 67 | T | 64.2 | Low | 64.3 | Low | 87 Ų | 87 | 84.5 Ų | 84.5 | 53% | 0.534 | 47% | 0.468 | S | S | . | . | trans | -80.7 | 132.4 | 171.9 | 52.9 | 0 | 0 | 0 | 0 | 110 | A65 D69 A70 | A65-T67 PolarHBondContact O-N 2.96Å; T67-D69 PolarHBondContact O-N 3.39Å; T67-D69 VanDerWaalsContact O-N 3.08Å; T67-A70 PolarHBondContact O-N 2.78Å; T67-A70 VanDerWaalsContact O-N 3.1Å | ||
| 68 | P | 55.6 | Low | 62.5 | Low | 108 Ų | 108 | 90.7 Ų | 90.7 | 70% | 0.701 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -21.8 | -176.7 | 18.4 | -29.2 | 0 | 0 | 0 | 114.9 | ||
| 69 | D | 51.8 | Low | 61.5 | Low | 159 Ų | 159 | 91.4 Ų | 91.4 | 85% | 0.85 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -7 | -179.5 | -60.5 | -35.1 | 0 | 0 | 0 | 114.1 | T67 A71 | T67-D69 PolarHBondContact O-N 3.39Å; T67-D69 VanDerWaalsContact O-N 3.08Å; D69-A71 PolarHBondContact O-N 3.42Å |
| 70 | A | 50.2 | Low | 60.8 | Low | 54 Ų | 54 | 93.3 Ų | 93.3 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -69.7 | 119.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 107 | T67 I72 | T67-A70 PolarHBondContact O-N 2.78Å; T67-A70 VanDerWaalsContact O-N 3.1Å; A70-I72 PolarHBondContact O-N 2.94Å |
| 71 | A | 40.3 | Very low | 60.3 | Low | 91 Ų | 91 | 92 Ų | 92 | 75% | 0.752 | 50% | 0.5 | S | S | * | . | trans | -45.1 | 119.8 | 169 | 0 | 0 | 0 | 0 | 0 | 107 | D69 D73 | D69-A71 PolarHBondContact O-N 3.42Å; A71-D73 PolarHBondContact O-N 3.27Å | ||
| 72 | I | 44.6 | Very low | 59.7 | Low | 150 Ų | 150 | 95.7 Ų | 95.7 | 77% | 0.769 | 52% | 0.515 | S | S | * | . | trans | -62 | 89.6 | 168.7 | -59.4 | 169.8 | 0 | 0 | 0 | 103.5 | A70 Y74 | A70-I72 PolarHBondContact O-N 2.94Å; I72-Y74 PolarHBondContact O-N 2.99Å | ||
| 73 | D | 43.8 | Very low | 59.4 | Low | 94 Ų | 94 | 92 Ų | 92 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | trans | -61.8 | 117.4 | 177.2 | -166.2 | 5.8 | 0 | 0 | 0 | 104.6 | A71 D75 | A71-D73 PolarHBondContact O-N 3.27Å; D73-D75 PolarHBondContact O-N 2.88Å; D73-D75 VanDerWaalsContact O-N 3.17Å; D73-D75 VanDerWaalsContact O-O 3.11Å; D73-D75 PolarHBondContact OD1-N 3.11Å | ||
| 74 | Y | 41.4 | Very low | 59.3 | Low | 220 Ų | 220 | 95 Ų | 95 | 86% | 0.863 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -67.1 | -8.1 | 178 | -82.4 | -91.2 | 0 | 0 | 0 | 110.9 | I72 E76 | I72-Y74 PolarHBondContact O-N 2.99Å; Y74-E76 PolarHBondContact O-N 3.1Å |
| 75 | D | 41.1 | Very low | 59.3 | Low | 108 Ų | 108 | 91.4 Ų | 91.4 | 58% | 0.578 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -66.5 | 123.5 | 163.1 | -88.8 | -1.6 | 0 | 0 | 0 | 109.5 | D73 T77 | D73-D75 PolarHBondContact O-N 2.88Å; D73-D75 VanDerWaalsContact O-N 3.17Å; D73-D75 VanDerWaalsContact O-O 3.11Å; D73-D75 PolarHBondContact OD1-N 3.11Å; D75-T77 HydrophobicContact CB-CG2 4.14Å; D75-T77 PolarHBondContact O-N 3.25Å; D75-T77 PolarHBondContact O-OG1 3.04Å |
| 76 | E | 49.1 | Very low | 59.8 | Low | 187 Ų | 187 | 92.8 Ų | 92.8 | 87% | 0.874 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 21.7 | -177.4 | -55.3 | -177 | 147.4 | 0 | 0 | 115.7 | Y74 | Y74-E76 PolarHBondContact O-N 3.1Š|
| 77 | T | 46.3 | Very low | 60.6 | Low | 89 Ų | 89 | 92.5 Ų | 92.5 | 55% | 0.546 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -37.7 | -175.5 | 58 | 0 | 0 | 0 | 0 | 112.6 | D75 | D75-T77 HydrophobicContact CB-CG2 4.14Å; D75-T77 PolarHBondContact O-N 3.25Å; D75-T77 PolarHBondContact O-OG1 3.04Å |
| 78 | H | 52.6 | Low | 61.5 | Low | 131 Ų | 131 | 92.9 Ų | 92.9 | 61% | 0.606 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -97.9 | 104.4 | 179.5 | -67.8 | 73.5 | 0 | 0 | 0 | 110.4 | V80 | H78-V80 PolarHBondContact O-N 2.9Š|
| 79 | K | 69.5 | Low | 63.1 | Low | 46 Ų | 46 | 88 Ų | 88 | 20% | 0.2 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 90.4 | 178.9 | -66.2 | -176.6 | -171 | 177.1 | 0 | 109 | I37 H150 T151 F152 | I37-K79 PolarHBondContact N-O 2.9Å; I37-K79 VanDerWaalsContact N-O 3.11Å; K79-H150 HydrophobicContact CB-CB 4.45Å; K79-H150 HydrophobicContact CD-CB 3.62Å; K79-H150 WeakPolarHBondContact CD-ND1 3.36Å; K79-H150 HydrophobicContact CG-CB 4.49Å; K79-H150 WeakPolarHBondContact CG-ND1 3.42Å; K79-T151 PolarHBondContact NZ-O 3.34Å; K79-F152 HydrophobicContact CD-CE1 4.39Å; K79-F152 HydrophobicContact CD-CE2 4.3Å; K79-F152 HydrophobicContact CD-CZ 3.77Å |
| 80 | V | 73.3 | Confident | 64.9 | Low | 40 Ų | 40 | 82.3 Ų | 82.3 | 24% | 0.242 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 135.8 | -174.7 | -176.4 | 0 | 0 | 0 | 0 | 111.5 | Y35 V66 H78 Y82 | Y35-V80 WeakPolarHBondContact O-CA 3.5Å; V66-V80 HydrophobicContact CG2-CG1 4.34Å; V66-V80 HydrophobicContact CG2-CG2 4.32Å; H78-V80 PolarHBondContact O-N 2.9Å; V80-Y82 HydrophobicContact CG1-CE2 3.91Å |
| 81 | C | 77.6 | Confident | 66.9 | Low | 0 Ų | 0 | 81.2 Ų | 81.2 | 0% | 0 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 146 | 179.5 | -70.9 | 0 | 0 | 0 | 0 | 112.4 | S34 Y35 I37 C140 | S34-C81 WeakPolarHBondContact CA-O 3.48Å; Y35-C81 HydrophobicContact CD2-CB 4.38Å; Y35-C81 HydrophobicContact CE1-CB 4.35Å; Y35-C81 HydrophobicContact CE2-CB 3.8Å; Y35-C81 PolarHBondContact N-O 3.42Å; Y35-C81 PolarHBondContact O-N 3.24Å; I37-C81 HydrophobicContact CD1-CB 3.93Å; I37-C81 WeakPolarHBondContact CD1-SG 3.26Å; C81-C140 VanDerWaalsContact CA-SG 3.57Å; C81-C140 HydrophobicContact CB-CB 3.49Å; C81-C140 VanDerWaalsContact CB-CB 3.49Å; C81-C140 WeakPolarHBondContact CB-SG 3.31Å; C81-C140 WeakPolarHBondContact SG-CB 3.48Å; C81-C140 CovalentContact SG-SG 2.01Å; C81-C140 PolarHBondContact SG-SG 3.41Å |
| 82 | Y | 74.7 | Confident | 69.3 | Low | 78 Ų | 78 | 80.2 Ų | 80.2 | 31% | 0.306 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -117.7 | -3 | -179 | -63.9 | -97.8 | 0 | 0 | 0 | 113.9 | M30 V80 S141 D142 S143 | M30-Y82 HydrophobicContact CB-CD1 4.48Å; M30-Y82 HydrophobicContact CB-CE1 4.18Å; M30-Y82 WeakPolarHBondContact O-CE1 3.46Å; V80-Y82 HydrophobicContact CG1-CE2 3.91Å; Y82-S141 WeakPolarHBondContact CB-O 3.18Å; Y82-S141 PolarHBondContact N-O 3.15Å; Y82-D142 VanDerWaalsContact CD2-C 3.44Å; Y82-S143 VanDerWaalsContact CE2-N 3.26Å |
| 83 | S | 76.1 | Confident | 71.5 | Confident | 40 Ų | 40 | 74.5 Ų | 74.5 | 28% | 0.28 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -130.5 | 175 | 177.6 | 72.8 | 0 | 0 | 0 | 0 | 110.9 | Y35 S141 | Y35-S83 PolarHBondContact OH-O 3.48Å; S83-S141 PolarHBondContact OG-N 2.84Å; S83-S141 PolarHBondContact OG-OG 2.86Å |
| 84 | D | 77.6 | Confident | 73.7 | Confident | 88 Ų | 88 | 74.1 Ų | 74.1 | 47% | 0.471 | 37% | 0.37 | S | S | . | . | trans | -58.9 | 145 | 171.5 | -62.2 | -33.7 | 0 | 0 | 0 | 112.6 | L109 | D84-L109 HydrophobicContact CB-CD1 4.43Å; D84-L109 WeakPolarHBondContact OD1-CB 3.15Å; D84-L109 WeakPolarHBondContact OD1-CD1 3.41Å | ||
| 85 | L | 77.3 | Confident | 76 | Confident | 11 Ų | 11 | 70.3 Ų | 70.3 | 6% | 0.058 | 36% | 0.358 | C | S | . | . | trans | -78.8 | 135.6 | 175.2 | -91.2 | 82.1 | 0 | 0 | 0 | 112 | Y35 I37 Y63 F87 A138 I139 | Y35-L85 HydrophobicContact CE2-CD1 3.39Å; Y35-L85 WeakPolarHBondContact OH-CD1 3.46Å; I37-L85 HydrophobicContact CD1-CD1 3.48Å; I37-L85 VanDerWaalsContact CD1-CD1 3.48Å; I37-L85 HydrophobicContact CD1-CD2 3.71Å; I37-L85 HydrophobicContact CD1-CG 3.95Å; I37-L85 HydrophobicContact CG1-CD1 4.04Å; I37-L85 HydrophobicContact CG1-CD2 4.16Å; I37-L85 HydrophobicContact CG2-CD2 4.42Å; Y63-L85 HydrophobicContact CE1-CD1 3.88Å; L85-F87 HydrophobicContact CB-CD2 4.46Å; L85-F87 HydrophobicContact CB-CE1 4.36Å; L85-F87 HydrophobicContact CB-CE2 3.82Å; L85-F87 HydrophobicContact CB-CZ 3.79Å; L85-F87 HydrophobicContact CD2-CD1 4.21Å; L85-F87 HydrophobicContact CD2-CE1 3.29Å; L85-F87 HydrophobicContact CD2-CE2 4.17Å; L85-F87 HydrophobicContact CD2-CZ 3.29Å; L85-F87 HydrophobicContact CG-CE1 4.44Å; L85-F87 HydrophobicContact CG-CZ 4.18Å; L85-A138 HydrophobicContact CD2-CB 3.63Å; L85-A138 HydrophobicContact CG-CB 4.45Å; L85-I139 WeakPolarHBondContact CA-O 3.36Å | ||
| 86 | Q | 80.5 | Confident | 78.4 | Confident | 120 Ų | 120 | 66.7 Ų | 66.7 | 56% | 0.561 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 141.3 | 155.8 | -61.9 | -175.5 | 1 | 0 | 0 | 109.8 | A138 I139 | Q86-A138 CarbonylContact O-C 3.54Å; Q86-A138 WeakPolarHBondContact O-CA 3.17Å; Q86-I139 HydrophobicContact CB-CB 4.34Å; Q86-I139 PolarHBondContact N-O 3.17Å; Q86-I139 PolarHBondContact O-N 3.34Å |
| 87 | F | 84.1 | Confident | 80.4 | Confident | 41 Ų | 41 | 57.8 Ų | 57.8 | 18% | 0.18 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 140.5 | 179.3 | -60.1 | -82.5 | 0 | 0 | 0 | 110.1 | V61 L85 K118 I120 F136 E137 A138 | V61-F87 HydrophobicContact CB-CZ 4.46Å; V61-F87 HydrophobicContact CG1-CE1 4.14Å; V61-F87 HydrophobicContact CG1-CZ 4.1Å; V61-F87 HydrophobicContact CG2-CE1 3.7Å; V61-F87 HydrophobicContact CG2-CZ 3.96Å; L85-F87 HydrophobicContact CB-CD2 4.46Å; L85-F87 HydrophobicContact CB-CE1 4.36Å; L85-F87 HydrophobicContact CB-CE2 3.82Å; L85-F87 HydrophobicContact CB-CZ 3.79Å; L85-F87 HydrophobicContact CD2-CD1 4.21Å; L85-F87 HydrophobicContact CD2-CE1 3.29Å; L85-F87 HydrophobicContact CD2-CE2 4.17Å; L85-F87 HydrophobicContact CD2-CZ 3.29Å; L85-F87 HydrophobicContact CG-CE1 4.44Å; L85-F87 HydrophobicContact CG-CZ 4.18Å; F87-K118 HydrophobicContact CE2-CD 4.1Å; F87-I120 HydrophobicContact CB-CD1 3.93Å; F87-I120 HydrophobicContact CD1-CD1 3.56Å; F87-I120 HydrophobicContact CD2-CD1 3.3Å; F87-I120 HydrophobicContact CE1-CD1 3.71Å; F87-I120 HydrophobicContact CE2-CD1 3.5Å; F87-I120 HydrophobicContact CG-CD1 3.29Å; F87-I120 HydrophobicContact CZ-CD1 3.67Å; F87-F136 HydrophobicContact CB-CZ 4.43Å; F87-F136 AromaticContact CD1-CE1 3.62Å; F87-F136 HydrophobicContact CD1-CE1 3.62Å; F87-F136 HydrophobicContact CD1-CE2 4.29Å; F87-F136 AromaticContact CD1-CZ 3.31Å; F87-F136 HydrophobicContact CD1-CZ 3.31Å; F87-F136 AromaticContact CE1-CE1 3.96Å; F87-F136 HydrophobicContact CE1-CE1 3.96Å; F87-F136 AromaticContact CE1-CZ 3.79Å; F87-F136 HydrophobicContact CE1-CZ 3.79Å; F87-F136 HydrophobicContact CG-CZ 4.16Å; F87-E137 CarbonylContact C-O 3.46Å; F87-E137 WeakPolarHBondContact CA-O 3.44Å; F87-A138 HydrophobicContact CD1-CB 4.27Å; F87-A138 HydrophobicContact CE1-CB 4.25Å |
| 88 | K | 84.8 | Confident | 82.6 | Confident | 95 Ų | 95 | 54.2 Ų | 54.2 | 41% | 0.413 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 129.8 | 174.9 | -177.6 | 178.5 | 179.7 | -174.5 | 0 | 109.3 | T90 E137 | K88-T90 HydrophobicContact CD-CG2 4.33Å; K88-T90 HydrophobicContact CG-CG2 4.06Å; K88-E137 HydrophobicContact CB-CB 4.33Å; K88-E137 PolarHBondContact N-O 2.74Å; K88-E137 PolarHBondContact O-N 3.23Å |
| 89 | V | 89.1 | Confident | 84.4 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 123.7 | 178 | -166.1 | 0 | 0 | 0 | 0 | 108.6 | V99 Y101 F122 V134 R135 F136 | V89-V99 HydrophobicContact CB-CG1 4.43Å; V89-V99 HydrophobicContact CG1-CG1 3.65Å; V89-Y101 HydrophobicContact CB-CD1 4.32Å; V89-Y101 HydrophobicContact CB-CG 4.23Å; V89-F122 HydrophobicContact CG1-CB 4.5Å; V89-F122 HydrophobicContact CG1-CD1 4.22Å; V89-F122 HydrophobicContact CG1-CD2 4.1Å; V89-F122 HydrophobicContact CG1-CE1 4.49Å; V89-F122 HydrophobicContact CG1-CE2 4.37Å; V89-F122 HydrophobicContact CG1-CG 4.02Å; V89-F122 HydrophobicContact CG2-CD1 4.25Å; V89-V134 HydrophobicContact CG1-CG1 3.5Å; V89-V134 VanDerWaalsContact CG1-CG1 3.5Å; V89-R135 WeakPolarHBondContact CA-O 3.46Å; V89-F136 HydrophobicContact CG2-CD2 3.78Å; V89-F136 HydrophobicContact CG2-CE2 4.15Å |
| 90 | T | 89.4 | Confident | 85.2 | Confident | 40 Ų | 40 | 51.6 Ų | 51.6 | 25% | 0.245 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 150.7 | -178.9 | 53.3 | 0 | 0 | 0 | 0 | 111.5 | K88 R135 | K88-T90 HydrophobicContact CD-CG2 4.33Å; K88-T90 HydrophobicContact CG-CG2 4.06Å; T90-R135 PolarHBondContact N-O 3.09Å; T90-R135 PolarHBondContact O-N 3.46Å |
| 91 | S | 91.9 | Very high | 85.4 | Confident | 30 Ų | 30 | 53.6 Ų | 53.6 | 21% | 0.21 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 124.1 | 170.3 | 176.5 | 0 | 0 | 0 | 0 | 109.9 | T93 I97 | S91-T93 VanDerWaalsContact C-N 3.26Å; S91-T93 VanDerWaalsContact OG-C 3.23Å; S91-T93 PolarHBondContact OG-N 3Å; S91-T93 PolarHBondContact OG-O 3.35Å; S91-I97 WeakPolarHBondContact OG-CG1 3.26Å; S91-I97 PolarHBondContact OG-O 2.8Å |
| 92 | L | 91 | Very high | 84.6 | Confident | 70 Ų | 70 | 61.4 Ų | 61.4 | 37% | 0.366 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -77.5 | -18.3 | 171.8 | -59.8 | -176.6 | 0 | 0 | 0 | 112.7 | P94 F133 R135 L153 | L92-P94 VanDerWaalsContact C-CD 3.42Å; L92-P94 WeakPolarHBondContact O-CD 3.32Å; L92-F133 HydrophobicContact CB-CB 4.24Å; L92-F133 HydrophobicContact CD1-CB 4.17Å; L92-F133 PolarHBondContact N-O 3.28Å; L92-R135 HydrophobicContact CD1-CB 4.19Å; L92-R135 HydrophobicContact CD2-CB 3.9Å; L92-R135 VanDerWaalsContact CD2-CZ 3.48Å; L92-R135 VanDerWaalsContact CD2-NH2 3.32Å; L92-R135 HydrophobicContact CG-CB 3.9Å; L92-L153 HydrophobicContact CD1-CD2 3.64Å |
| 93 | T | 91 | Very high | 83.5 | Confident | 31 Ų | 31 | 63.1 Ų | 63.1 | 19% | 0.19 | 33% | 0.325 | C | S | . | . | trans | -128.6 | 66.7 | -175.1 | 50.5 | 0 | 0 | 0 | 0 | 109.1 | S91 K95 I96 I97 G132 F133 | S91-T93 VanDerWaalsContact C-N 3.26Å; S91-T93 VanDerWaalsContact OG-C 3.23Å; S91-T93 PolarHBondContact OG-N 3Å; S91-T93 PolarHBondContact OG-O 3.35Å; T93-K95 PolarHBondContact O-N 2.7Å; T93-I96 HydrophobicContact CG2-CD1 4.44Å; T93-I96 PolarHBondContact O-N 3.02Å; T93-I97 PolarHBondContact O-N 3.25Å; T93-G132 WeakPolarHBondContact OG1-CA 3.32Å; T93-F133 HydrophobicContact CG2-CD2 4.1Å; T93-F133 PolarHBondContact OG1-N 3.05Å | ||
| 94 | P | 89.6 | Confident | 82.3 | Confident | 85 Ų | 85 | 67.2 Ų | 67.2 | 55% | 0.552 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -17.5 | -173.9 | 25.1 | -35.3 | 0 | 0 | 0 | 113.7 | L92 I97 | L92-P94 VanDerWaalsContact C-CD 3.42Å; L92-P94 WeakPolarHBondContact O-CD 3.32Å; P94-I97 WeakPolarHBondContact CA-O 3.26Å |
| 95 | K | 90.3 | Very high | 80.7 | Confident | 140 Ų | 140 | 67.9 Ų | 67.9 | 61% | 0.609 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -28.8 | 172.8 | -170.8 | 177.8 | 177.3 | -174 | 0 | 112.7 | T93 F128 | T93-K95 PolarHBondContact O-N 2.7Å; K95-F128 VanDerWaalsContact O-CB 3.3Å; K95-F128 WeakPolarHBondContact O-CB 3.22Å |
| 96 | I | 90 | Very high | 79 | Confident | 32 Ų | 32 | 71.1 Ų | 71.1 | 16% | 0.164 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -44.7 | -173.2 | -58.4 | 175.1 | 0 | 0 | 0 | 110.5 | T93 K127 F128 H131 V158 | T93-I96 HydrophobicContact CG2-CD1 4.44Å; T93-I96 PolarHBondContact O-N 3.02Å; I96-K127 WeakPolarHBondContact O-CA 3.46Å; I96-K127 PolarHBondContact O-N 3.41Å; I96-F128 VanDerWaalsContact CG2-O 3.28Å; I96-F128 WeakPolarHBondContact CG2-O 3.09Å; I96-F128 PolarHBondContact O-N 3.36Å; I96-H131 VanDerWaalsContact CD1-O 3.31Å; I96-H131 WeakPolarHBondContact CD1-O 3.4Å; I96-V158 HydrophobicContact CG2-CB 4.35Å; I96-V158 HydrophobicContact CG2-CG2 4.13Å |
| 97 | I | 92.6 | Very high | 77.2 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 141.8 | 179.7 | 58.3 | 171.6 | 0 | 0 | 0 | 111.2 | S91 T93 P94 V124 T125 V134 V158 | S91-I97 WeakPolarHBondContact OG-CG1 3.26Å; S91-I97 PolarHBondContact OG-O 2.8Å; T93-I97 PolarHBondContact O-N 3.25Å; P94-I97 WeakPolarHBondContact CA-O 3.26Å; I97-V124 HydrophobicContact CB-CG1 4.09Å; I97-V124 HydrophobicContact CD1-CG1 4.23Å; I97-V124 HydrophobicContact CG2-CG1 4.17Å; I97-T125 WeakPolarHBondContact CA-O 3.44Å; I97-V134 HydrophobicContact CD1-CG2 3.55Å; I97-V158 HydrophobicContact CG2-CG2 3.52Å |
| 98 | A | 92.2 | Very high | 75.1 | Confident | 15 Ų | 15 | 78.4 Ų | 78.4 | 12% | 0.124 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 152.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | V124 T125 K127 | A98-V124 WeakPolarHBondContact O-CA 3.26Å; A98-T125 PolarHBondContact N-O 3.28Å; A98-T125 PolarHBondContact O-N 3.5Å; A98-K127 HydrophobicContact CB-CD 4.02Å; A98-K127 HydrophobicContact CB-CG 4.37Å |
| 99 | V | 90.3 | Very high | 73.2 | Confident | 23 Ų | 23 | 76.3 Ų | 76.3 | 14% | 0.139 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 117.9 | 174.3 | -178 | 0 | 0 | 0 | 0 | 106.9 | V89 F122 V123 V124 V134 | V89-V99 HydrophobicContact CB-CG1 4.43Å; V89-V99 HydrophobicContact CG1-CG1 3.65Å; V99-F122 HydrophobicContact CG1-CB 4.15Å; V99-F122 HydrophobicContact CG1-CD2 3.8Å; V99-F122 HydrophobicContact CG1-CG 4.3Å; V99-V123 WeakPolarHBondContact CA-O 3.29Å; V99-V124 HydrophobicContact CG2-CG2 4.43Å; V99-V134 HydrophobicContact CG2-CB 4.39Å; V99-V134 HydrophobicContact CG2-CG1 4Å; V99-V134 HydrophobicContact CG2-CG2 3.64Å |
| 100 | D | 86.2 | Confident | 70.7 | Confident | 99 Ų | 99 | 80.1 Ų | 80.1 | 53% | 0.529 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 117.1 | 170.9 | -59.9 | -43 | 0 | 0 | 0 | 106.2 | V123 | D100-V123 PolarHBondContact N-O 2.73Å; D100-V123 PolarHBondContact O-N 3.3Å |
| 101 | Y | 77.5 | Confident | 68.3 | Low | 82 Ų | 82 | 84.8 Ų | 84.8 | 32% | 0.322 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 136.7 | 175.4 | 83.6 | -85.3 | 0 | 0 | 0 | 107.5 | V89 D103 | V89-Y101 HydrophobicContact CB-CD1 4.32Å; V89-Y101 HydrophobicContact CB-CG 4.23Å; Y101-D103 HydrophobicContact CE2-CB 4.25Å; Y101-D103 WeakPolarHBondContact CE2-OD1 3.42Å; Y101-D103 VanDerWaalsContact CZ-OD1 3.24Å; Y101-D103 PolarHBondContact O-N 3.43Å; Y101-D103 VanDerWaalsContact OH-CG 3.29Å; Y101-D103 PolarHBondContact OH-OD1 2.84Å; Y101-D103 PolarHBondContact OH-OD2 2.94Å |
| 102 | E | 59.6 | Low | 65.9 | Low | 163 Ų | 163 | 86 Ų | 86 | 76% | 0.762 | 49% | 0.485 | S | S | * | . | trans | -75.3 | 123.5 | 167.2 | -71.2 | -179 | 172.5 | 0 | 0 | 107.1 | L104 | E102-L104 PolarHBondContact O-N 3.37Š| ||
| 103 | D | 52.7 | Low | 63.6 | Low | 115 Ų | 115 | 93.1 Ų | 93.1 | 62% | 0.615 | 51% | 0.513 | S | S | * | . | trans | -61.2 | 82.2 | 163.4 | -90.6 | -43.2 | 0 | 0 | 0 | 107.3 | Y101 S105 | Y101-D103 HydrophobicContact CE2-CB 4.25Å; Y101-D103 WeakPolarHBondContact CE2-OD1 3.42Å; Y101-D103 VanDerWaalsContact CZ-OD1 3.24Å; Y101-D103 PolarHBondContact O-N 3.43Å; Y101-D103 VanDerWaalsContact OH-CG 3.29Å; Y101-D103 PolarHBondContact OH-OD1 2.84Å; Y101-D103 PolarHBondContact OH-OD2 2.94Å; D103-S105 PolarHBondContact O-N 3.11Å | ||
| 104 | L | 50.1 | Low | 61.5 | Low | 126 Ų | 126 | 94.9 Ų | 94.9 | 66% | 0.66 | 53% | 0.527 | S | S | * | . | trans | -66.9 | 77.2 | 155.6 | -89.6 | 146.6 | 0 | 0 | 0 | 105.8 | E102 A106 | E102-L104 PolarHBondContact O-N 3.37Å; L104-A106 PolarHBondContact O-N 3.33Å | ||
| 105 | S | 45.4 | Very low | 59.7 | Low | 101 Ų | 101 | 95.7 Ų | 95.7 | 71% | 0.706 | 53% | 0.532 | S | S | * | . | trans | -33.1 | 127.3 | 172.8 | 15.2 | 0 | 0 | 0 | 0 | 109.6 | D103 M107 | D103-S105 PolarHBondContact O-N 3.11Å; S105-M107 PolarHBondContact O-N 3.38Å | ||
| 106 | A | 40.4 | Very low | 58.6 | Low | 79 Ų | 79 | 93.2 Ų | 93.2 | 65% | 0.653 | 53% | 0.526 | S | S | * | . | trans | -10.7 | 85.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L104 E108 | L104-A106 PolarHBondContact O-N 3.33Å; A106-E108 PolarHBondContact O-N 2.85Å | ||
| 107 | M | 42.6 | Very low | 57.9 | Low | 149 Ų | 149 | 96 Ų | 96 | 73% | 0.734 | 54% | 0.541 | S | S | * | . | trans | -82.4 | 114.4 | 170.1 | -170.2 | 144.7 | -172.6 | 0 | 0 | 107.8 | S105 L109 | S105-M107 PolarHBondContact O-N 3.38Å; M107-L109 PolarHBondContact O-N 3.2Å | ||
| 108 | E | 40.3 | Very low | 57.2 | Low | 165 Ų | 165 | 99 Ų | 99 | 77% | 0.771 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 129.8 | 175.4 | -64.9 | 177.6 | 165.5 | 0 | 0 | 110 | A106 | A106-E108 PolarHBondContact O-N 2.85Š|
| 109 | L | 44.1 | Very low | 56.8 | Low | 52 Ų | 52 | 103.3 Ų | 103.3 | 27% | 0.272 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 130.4 | 169.5 | -75.9 | 166.8 | 0 | 0 | 0 | 107.1 | Y35 Y63 D84 M107 P111 | Y35-L109 HydrophobicContact CE1-CD1 4.27Å; Y35-L109 WeakPolarHBondContact OH-CD1 3.44Å; Y63-L109 HydrophobicContact CE1-CD2 4.2Å; D84-L109 HydrophobicContact CB-CD1 4.43Å; D84-L109 WeakPolarHBondContact OD1-CB 3.15Å; D84-L109 WeakPolarHBondContact OD1-CD1 3.41Å; M107-L109 PolarHBondContact O-N 3.2Å; L109-P111 WeakPolarHBondContact O-CD 3.37Å |
| 110 | P | 37.6 | Very low | 56.5 | Low | 85 Ų | 85 | 103.2 Ų | 103.2 | 55% | 0.552 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 127.8 | 171.1 | 21.8 | -28.7 | 0 | 0 | 0 | 108.3 | G112 | P110-G112 PolarHBondContact O-N 3.07Š|
| 111 | P | 38.5 | Very low | 56.6 | Low | 139 Ų | 139 | 101.9 Ų | 101.9 | 90% | 0.903 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -68.5 | 103.2 | 176.1 | 26.9 | -30.8 | 0 | 0 | 0 | 107.9 | L109 | L109-P111 WeakPolarHBondContact O-CD 3.37Š|
| 112 | G | 41.6 | Very low | 57.2 | Low | 55 Ų | 55 | 98 Ų | 98 | 57% | 0.567 | 55% | 0.554 | S | S | * | * | S | Bend | trans | 132.8 | 117.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | P110 S114 | P110-G112 PolarHBondContact O-N 3.07Å; G112-S114 PolarHBondContact O-N 2.76Å |
| 113 | K | 43.3 | Very low | 58.7 | Low | 220 Ų | 220 | 92.3 Ų | 92.3 | 96% | 0.957 | 53% | 0.53 | S | S | * | . | trans | 33.7 | 70.6 | 145.3 | -63.4 | -175.6 | 179.4 | -178.9 | 0 | 116 | ||||
| 114 | S | 47.4 | Very low | 60.6 | Low | 67 Ų | 67 | 86.8 Ų | 86.8 | 47% | 0.469 | 50% | 0.5 | S | S | . | . | trans | -153 | 130.4 | 146.7 | -172.8 | 0 | 0 | 0 | 0 | 108.4 | G112 N116 | G112-S114 PolarHBondContact O-N 2.76Å; S114-N116 VanDerWaalsContact CB-OD1 3.25Å; S114-N116 WeakPolarHBondContact CB-OD1 3.46Å; S114-N116 PolarHBondContact O-N 3.45Å; S114-N116 PolarHBondContact OG-OD1 3.38Å | ||
| 115 | P | 52.3 | Low | 62.7 | Low | 103 Ų | 103 | 81.8 Ų | 81.8 | 67% | 0.669 | 48% | 0.475 | S | S | * | . | trans | -67.2 | 76.5 | 165.6 | 29.6 | -31.6 | 0 | 0 | 0 | 107.9 | N117 | P115-N117 PolarHBondContact O-N 3.43Š| ||
| 116 | N | 66.6 | Low | 65 | Low | 88 Ų | 88 | 77 Ų | 77 | 47% | 0.471 | 44% | 0.441 | S | S | . | . | trans | -83.6 | 102.2 | 178.1 | -76 | -16.3 | 0 | 0 | 0 | 107.3 | Y63 S114 K118 | Y63-N116 WeakPolarHBondContact CD2-O 3.41Å; Y63-N116 WeakPolarHBondContact CE2-O 3.43Å; S114-N116 VanDerWaalsContact CB-OD1 3.25Å; S114-N116 WeakPolarHBondContact CB-OD1 3.46Å; S114-N116 PolarHBondContact O-N 3.45Å; S114-N116 PolarHBondContact OG-OD1 3.38Å; N116-K118 PolarHBondContact O-N 3.26Å | ||
| 117 | N | 74 | Confident | 67.4 | Low | 91 Ų | 91 | 78.9 Ų | 78.9 | 49% | 0.487 | 44% | 0.435 | S | S | . | . | trans | -56.6 | 131.7 | 166.3 | -68.1 | -18.8 | 0 | 0 | 0 | 109.3 | L60 V61 P115 | L60-N117 HydrophobicContact CD1-CB 3.8Å; V61-N117 WeakPolarHBondContact O-CA 3.34Å; P115-N117 PolarHBondContact O-N 3.43Å | ||
| 118 | K | 78.3 | Confident | 69.8 | Low | 62 Ų | 62 | 73.2 Ų | 73.2 | 27% | 0.27 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 130.2 | 175.9 | -170.9 | 172.8 | -175.7 | 173 | 0 | 109.6 | V61 Y63 F87 N116 I120 | V61-K118 HydrophobicContact CB-CB 4.33Å; V61-K118 PolarHBondContact N-O 2.88Å; V61-K118 PolarHBondContact O-N 2.84Å; Y63-K118 HydrophobicContact CE2-CB 3.99Å; F87-K118 HydrophobicContact CE2-CD 4.1Å; N116-K118 PolarHBondContact O-N 3.26Å; K118-I120 HydrophobicContact CG-CG1 4.37Å |
| 119 | N | 83.6 | Confident | 72.2 | Confident | 105 Ų | 105 | 65.6 Ų | 65.6 | 56% | 0.561 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 119.8 | 176 | -67.7 | -0.9 | 0 | 0 | 0 | 108.9 | A59 L60 | A59-N119 WeakPolarHBondContact O-CA 3.21Å; L60-N119 WeakPolarHBondContact CD1-OD1 3.41Å |
| 120 | I | 85.7 | Confident | 74.5 | Confident | 21 Ų | 21 | 63.3 Ų | 63.3 | 11% | 0.108 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 121.1 | 174.5 | -65.9 | 164.3 | 0 | 0 | 0 | 107.4 | S58 A59 V61 F87 K118 F136 | S58-I120 CarbonylContact C-O 3.59Å; S58-I120 WeakPolarHBondContact CA-O 3.24Å; A59-I120 PolarHBondContact N-O 3.27Å; A59-I120 PolarHBondContact O-N 3.46Å; V61-I120 HydrophobicContact CG2-CD1 4.19Å; F87-I120 HydrophobicContact CB-CD1 3.93Å; F87-I120 HydrophobicContact CD1-CD1 3.56Å; F87-I120 HydrophobicContact CD2-CD1 3.3Å; F87-I120 HydrophobicContact CE1-CD1 3.71Å; F87-I120 HydrophobicContact CE2-CD1 3.5Å; F87-I120 HydrophobicContact CG-CD1 3.29Å; F87-I120 HydrophobicContact CZ-CD1 3.67Å; K118-I120 HydrophobicContact CG-CG1 4.37Å; I120-F136 HydrophobicContact CB-CE2 4.32Å; I120-F136 HydrophobicContact CD1-CE2 4.27Å; I120-F136 HydrophobicContact CD1-CZ 3.92Å; I120-F136 HydrophobicContact CG2-CE2 4.18Å |
| 121 | T | 87.9 | Confident | 77.2 | Confident | 71 Ų | 71 | 61.3 Ų | 61.3 | 44% | 0.436 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 140.3 | 179.9 | 65 | 0 | 0 | 0 | 0 | 110.1 | V57 S58 | V57-T121 WeakPolarHBondContact O-CA 3.39Å; S58-T121 WeakPolarHBondContact OG-CG2 3.43Å |
| 122 | F | 89.5 | Confident | 79.7 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.009 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 151.5 | 173.1 | 55.5 | -89.5 | 0 | 0 | 0 | 108.8 | F41 V57 A59 V89 V99 V124 V134 F136 | F41-F122 HydrophobicContact CD1-CE1 4.48Å; F41-F122 HydrophobicContact CD1-CZ 4.2Å; F41-F122 HydrophobicContact CE1-CE1 4.3Å; F41-F122 HydrophobicContact CE1-CZ 4.09Å; V57-F122 HydrophobicContact CB-CD2 4.15Å; V57-F122 HydrophobicContact CB-CE1 4.31Å; V57-F122 HydrophobicContact CB-CE2 3.61Å; V57-F122 HydrophobicContact CB-CZ 3.7Å; V57-F122 HydrophobicContact CG1-CE1 4.13Å; V57-F122 HydrophobicContact CG1-CE2 3.92Å; V57-F122 HydrophobicContact CG1-CZ 3.51Å; V57-F122 HydrophobicContact CG2-CE2 4.2Å; V57-F122 PolarHBondContact N-O 3.29Å; V57-F122 PolarHBondContact O-N 2.88Å; A59-F122 HydrophobicContact CB-CE1 4.13Å; V89-F122 HydrophobicContact CG1-CB 4.5Å; V89-F122 HydrophobicContact CG1-CD1 4.22Å; V89-F122 HydrophobicContact CG1-CD2 4.1Å; V89-F122 HydrophobicContact CG1-CE1 4.49Å; V89-F122 HydrophobicContact CG1-CE2 4.37Å; V89-F122 HydrophobicContact CG1-CG 4.02Å; V89-F122 HydrophobicContact CG2-CD1 4.25Å; V99-F122 HydrophobicContact CG1-CB 4.15Å; V99-F122 HydrophobicContact CG1-CD2 3.8Å; V99-F122 HydrophobicContact CG1-CG 4.3Å; F122-V124 HydrophobicContact CD2-CG2 3.77Å; F122-V124 HydrophobicContact CE2-CG2 3.67Å; F122-V134 HydrophobicContact CD2-CG1 4.46Å; F122-V134 HydrophobicContact CE2-CB 4.49Å; F122-V134 HydrophobicContact CE2-CG1 3.82Å; F122-V134 HydrophobicContact CE2-CG2 4.45Å; F122-V134 HydrophobicContact CZ-CG1 4.22Å; F122-F136 HydrophobicContact CE1-CD2 4.29Å |
| 123 | V | 90.9 | Very high | 82.2 | Confident | 42 Ų | 42 | 55.5 Ų | 55.5 | 26% | 0.255 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 125.5 | -179.6 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | N54 V99 D100 | N54-V123 HydrophobicContact CB-CG1 3.8Å; V99-V123 WeakPolarHBondContact CA-O 3.29Å; D100-V123 PolarHBondContact N-O 2.73Å; D100-V123 PolarHBondContact O-N 3.3Å |
| 124 | V | 93.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 123.5 | 173.9 | -173.8 | 0 | 0 | 0 | 0 | 108.4 | N54 M55 V57 I97 A98 V99 F122 V134 V156 | N54-V124 CarbonylContact C-O 3.58Å; N54-V124 WeakPolarHBondContact CA-O 3.24Å; M55-V124 PolarHBondContact N-O 2.96Å; M55-V124 PolarHBondContact O-N 3.41Å; V57-V124 HydrophobicContact CG2-CG2 3.89Å; I97-V124 HydrophobicContact CB-CG1 4.09Å; I97-V124 HydrophobicContact CD1-CG1 4.23Å; I97-V124 HydrophobicContact CG2-CG1 4.17Å; A98-V124 WeakPolarHBondContact O-CA 3.26Å; V99-V124 HydrophobicContact CG2-CG2 4.43Å; F122-V124 HydrophobicContact CD2-CG2 3.77Å; F122-V124 HydrophobicContact CE2-CG2 3.67Å; V124-V134 HydrophobicContact CG1-CG2 4.34Å; V124-V134 HydrophobicContact CG2-CG2 3.93Å; V124-V156 HydrophobicContact CG1-CG1 4.49Å; V124-V156 HydrophobicContact CG1-CG2 4.27Å |
| 125 | T | 93.3 | Very high | 86.6 | Confident | 21 Ų | 21 | 46 Ų | 46 | 13% | 0.129 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 125.5 | -179.1 | -58.4 | 0 | 0 | 0 | 0 | 109.5 | N54 I97 A98 K127 | N54-T125 WeakPolarHBondContact OD1-CG2 3.4Å; N54-T125 PolarHBondContact OD1-OG1 3.35Å; N54-T125 VanDerWaalsContact OD1-OG1 3.07Å; I97-T125 WeakPolarHBondContact CA-O 3.44Å; A98-T125 PolarHBondContact N-O 3.28Å; A98-T125 PolarHBondContact O-N 3.5Å; T125-K127 PolarHBondContact O-N 2.99Å |
| 126 | G | 93.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 123.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L49 N52 D53 | L49-G126 VanDerWaalsContact CD2-N 3.32Å; N52-G126 WeakPolarHBondContact CA-O 3.48Å; N52-G126 PolarHBondContact N-O 3.12Å; D53-G126 PolarHBondContact O-N 2.85Å |
| 127 | K | 92.4 | Very high | 89.4 | Confident | 118 Ų | 118 | 37.9 Ų | 37.9 | 51% | 0.513 | 19% | 0.186 | S | C | . | . | trans | -104.6 | -39.7 | 177.9 | -77.8 | -173.6 | 164 | 173.6 | 0 | 113.4 | I96 A98 T125 | I96-K127 WeakPolarHBondContact O-CA 3.46Å; I96-K127 PolarHBondContact O-N 3.41Å; A98-K127 HydrophobicContact CB-CD 4.02Å; A98-K127 HydrophobicContact CB-CG 4.37Å; T125-K127 PolarHBondContact O-N 2.99Å | ||
| 128 | F | 92.3 | Very high | 89.9 | Confident | 31 Ų | 31 | 33.5 Ų | 33.5 | 14% | 0.136 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -152.2 | 150.9 | -176.8 | -168.7 | -114.2 | 0 | 0 | 0 | 109.8 | E51 K95 I96 G130 V158 K304 V305 | E51-F128 WeakPolarHBondContact OE1-CA 3.44Å; K95-F128 VanDerWaalsContact O-CB 3.3Å; K95-F128 WeakPolarHBondContact O-CB 3.22Å; I96-F128 VanDerWaalsContact CG2-O 3.28Å; I96-F128 WeakPolarHBondContact CG2-O 3.09Å; I96-F128 PolarHBondContact O-N 3.36Å; F128-G130 PolarHBondContact O-N 2.9Å; F128-V158 WeakPolarHBondContact O-CB 3.25Å; F128-V158 WeakPolarHBondContact O-CG1 3.32Å; F128-K304 HydrophobicContact CE2-CB 4.08Å; F128-K304 HydrophobicContact CE2-CD 4.26Å; F128-K304 HydrophobicContact CZ-CB 3.79Å; F128-V305 HydrophobicContact CE1-CG2 3.75Å; F128-V305 HydrophobicContact CZ-CG2 3.66Å |
| 129 | L | 91.4 | Very high | 90.2 | Very high | 5 Ų | 5 | 32.6 Ų | 32.6 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -52.9 | 137.7 | 176.4 | 73.8 | 96.3 | 0 | 0 | 0 | 112.5 | E51 V158 Y301 V305 I369 | E51-L129 PolarHBondContact OE1-N 3.45Å; L129-V158 VanDerWaalsContact CA-O 3.31Å; L129-V158 WeakPolarHBondContact CA-O 3.43Å; L129-Y301 HydrophobicContact CD2-CD2 3.39Å; L129-Y301 HydrophobicContact CD2-CE2 3.9Å; L129-Y301 HydrophobicContact CD2-CG 4.14Å; L129-V305 HydrophobicContact CD1-CG2 4.06Å; L129-V305 HydrophobicContact CD2-CG2 4.16Å; L129-V305 HydrophobicContact CG-CG2 4.39Å; L129-I369 HydrophobicContact CD1-CD1 3.99Å; L129-I369 HydrophobicContact CD1-CG1 3.36Å |
| 130 | G | 92.4 | Very high | 90.2 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 145.3 | -177.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | F128 V158 | F128-G130 PolarHBondContact O-N 2.9Å; G130-V158 PolarHBondContact N-O 3.34Å; G130-V158 PolarHBondContact O-N 3.49Å |
| 131 | H | 92.8 | Very high | 90.1 | Very high | 44 Ų | 44 | 27.9 Ų | 27.9 | 20% | 0.204 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 112 | 173.6 | -76.5 | 108.1 | 0 | 0 | 0 | 109.9 | I96 F133 K155 D366 | I96-H131 VanDerWaalsContact CD1-O 3.31Å; I96-H131 WeakPolarHBondContact CD1-O 3.4Å; H131-F133 HydrophobicContact CB-CE2 4.4Å; H131-K155 WeakPolarHBondContact CD2-CE 3.33Å; H131-K155 WeakPolarHBondContact NE2-CE 3.5Å; H131-D366 IonicContact CE1-OD1 3.38Å; H131-D366 PolarHBondContact CE1-OD1 3.26Å; H131-D366 IonicContact CE1-OD2 2.91Å; H131-D366 PolarHBondContact CE1-OD2 3.45Å; H131-D366 IonicContact ND1-OD1 3.48Å; H131-D366 PolarHBondContact ND1-OD1 2.74Å |
| 132 | G | 92.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 149.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T93 K155 V156 | T93-G132 WeakPolarHBondContact OG1-CA 3.32Å; G132-K155 CarbonylContact O-C 3.58Å; G132-K155 WeakPolarHBondContact O-CA 3.38Å; G132-V156 PolarHBondContact N-O 3.3Å; G132-V156 PolarHBondContact O-N 3.36Å |
| 133 | F | 93.1 | Very high | 88.9 | Confident | 72 Ų | 72 | 29.1 Ų | 29.1 | 32% | 0.316 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 119.2 | 176 | -60.3 | -90.7 | 0 | 0 | 0 | 110.2 | L92 T93 H131 K155 | L92-F133 HydrophobicContact CB-CB 4.24Å; L92-F133 HydrophobicContact CD1-CB 4.17Å; L92-F133 PolarHBondContact N-O 3.28Å; T93-F133 HydrophobicContact CG2-CD2 4.1Å; T93-F133 PolarHBondContact OG1-N 3.05Å; H131-F133 HydrophobicContact CB-CE2 4.4Å; F133-K155 HydrophobicContact CD1-CB 3.94Å; F133-K155 HydrophobicContact CD1-CG 4.09Å; F133-K155 HydrophobicContact CE1-CB 3.86Å; F133-K155 HydrophobicContact CE1-CD 3.9Å; F133-K155 HydrophobicContact CE1-CG 3.64Å; F133-K155 HydrophobicContact CZ-CD 4.28Å; F133-K155 HydrophobicContact CZ-CG 4.18Å |
| 134 | V | 92.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 129 | 169.3 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | V89 I97 V99 F122 V124 L153 Y154 | V89-V134 HydrophobicContact CG1-CG1 3.5Å; V89-V134 VanDerWaalsContact CG1-CG1 3.5Å; I97-V134 HydrophobicContact CD1-CG2 3.55Å; V99-V134 HydrophobicContact CG2-CB 4.39Å; V99-V134 HydrophobicContact CG2-CG1 4Å; V99-V134 HydrophobicContact CG2-CG2 3.64Å; F122-V134 HydrophobicContact CD2-CG1 4.46Å; F122-V134 HydrophobicContact CE2-CB 4.49Å; F122-V134 HydrophobicContact CE2-CG1 3.82Å; F122-V134 HydrophobicContact CE2-CG2 4.45Å; F122-V134 HydrophobicContact CZ-CG1 4.22Å; V124-V134 HydrophobicContact CG1-CG2 4.34Å; V124-V134 HydrophobicContact CG2-CG2 3.93Å; V134-L153 WeakPolarHBondContact O-CA 3.24Å; V134-Y154 PolarHBondContact N-O 2.88Å; V134-Y154 PolarHBondContact O-N 3.32Å |
| 135 | R | 90.8 | Very high | 87.4 | Confident | 86 Ų | 86 | 37.9 Ų | 37.9 | 33% | 0.325 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 114.1 | 172.2 | -170.6 | -170 | -74.5 | 171.7 | 6.6 | 109.2 | V89 T90 L92 E137 T151 L153 | V89-R135 WeakPolarHBondContact CA-O 3.46Å; T90-R135 PolarHBondContact N-O 3.09Å; T90-R135 PolarHBondContact O-N 3.46Å; L92-R135 HydrophobicContact CD1-CB 4.19Å; L92-R135 HydrophobicContact CD2-CB 3.9Å; L92-R135 VanDerWaalsContact CD2-CZ 3.48Å; L92-R135 VanDerWaalsContact CD2-NH2 3.32Å; L92-R135 HydrophobicContact CG-CB 3.9Å; R135-E137 WeakPolarHBondContact CD-OE1 3.4Å; R135-E137 HydrophobicContact CG-CG 3.8Å; R135-E137 IonicContact NH1-OE1 3.29Å; R135-E137 PolarHBondContact NH1-OE1 3.13Å; R135-T151 HydrophobicContact CG-CG2 3.41Å; R135-T151 VanDerWaalsContact CG-CG2 3.41Å; R135-L153 HydrophobicContact CB-CD2 4.2Å; R135-L153 HydrophobicContact CG-CD2 4.2Å |
| 136 | F | 90.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 113.6 | 170 | -175.2 | -87.3 | 0 | 0 | 0 | 108.6 | V39 F41 A59 V61 F87 V89 I120 F122 T151 F152 | V39-F136 HydrophobicContact CG1-CD1 4.07Å; V39-F136 HydrophobicContact CG1-CE1 3.99Å; V39-F136 HydrophobicContact CG2-CD1 4.31Å; V39-F136 HydrophobicContact CG2-CE1 3.91Å; F41-F136 HydrophobicContact CE1-CB 4.12Å; F41-F136 HydrophobicContact CE1-CG 4.36Å; F41-F136 HydrophobicContact CZ-CB 3.93Å; F41-F136 HydrophobicContact CZ-CG 4.43Å; A59-F136 HydrophobicContact CB-CD2 3.94Å; A59-F136 HydrophobicContact CB-CE2 3.55Å; A59-F136 HydrophobicContact CB-CZ 3.88Å; V61-F136 HydrophobicContact CG2-CE1 4.4Å; V61-F136 HydrophobicContact CG2-CZ 4.09Å; F87-F136 HydrophobicContact CB-CZ 4.43Å; F87-F136 AromaticContact CD1-CE1 3.62Å; F87-F136 HydrophobicContact CD1-CE1 3.62Å; F87-F136 HydrophobicContact CD1-CE2 4.29Å; F87-F136 AromaticContact CD1-CZ 3.31Å; F87-F136 HydrophobicContact CD1-CZ 3.31Å; F87-F136 AromaticContact CE1-CE1 3.96Å; F87-F136 HydrophobicContact CE1-CE1 3.96Å; F87-F136 AromaticContact CE1-CZ 3.79Å; F87-F136 HydrophobicContact CE1-CZ 3.79Å; F87-F136 HydrophobicContact CG-CZ 4.16Å; V89-F136 HydrophobicContact CG2-CD2 3.78Å; V89-F136 HydrophobicContact CG2-CE2 4.15Å; I120-F136 HydrophobicContact CB-CE2 4.32Å; I120-F136 HydrophobicContact CD1-CE2 4.27Å; I120-F136 HydrophobicContact CD1-CZ 3.92Å; I120-F136 HydrophobicContact CG2-CE2 4.18Å; F122-F136 HydrophobicContact CE1-CD2 4.29Å; F136-T151 CarbonylContact O-C 3.6Å; F136-T151 WeakPolarHBondContact O-CA 3.3Å; F136-F152 HydrophobicContact CB-CB 4.35Å; F136-F152 HydrophobicContact CD1-CD2 4.1Å; F136-F152 PolarHBondContact N-O 2.8Å; F136-F152 PolarHBondContact O-N 2.88Å |
| 137 | E | 87.1 | Confident | 86.4 | Confident | 21 Ų | 21 | 48 Ų | 48 | 10% | 0.098 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 124.7 | -179.9 | -61.7 | -178.6 | 137.3 | 0 | 0 | 109.7 | F87 K88 R135 H150 | F87-E137 CarbonylContact C-O 3.46Å; F87-E137 WeakPolarHBondContact CA-O 3.44Å; K88-E137 HydrophobicContact CB-CB 4.33Å; K88-E137 PolarHBondContact N-O 2.74Å; K88-E137 PolarHBondContact O-N 3.23Å; R135-E137 WeakPolarHBondContact CD-OE1 3.4Å; R135-E137 HydrophobicContact CG-CG 3.8Å; R135-E137 IonicContact NH1-OE1 3.29Å; R135-E137 PolarHBondContact NH1-OE1 3.13Å; E137-H150 WeakPolarHBondContact CA-O 3.32Å |
| 138 | A | 85.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 118.3 | 167 | 0 | 0 | 0 | 0 | 0 | 108.9 | L85 Q86 F87 S149 H150 | L85-A138 HydrophobicContact CD2-CB 3.63Å; L85-A138 HydrophobicContact CG-CB 4.45Å; Q86-A138 CarbonylContact O-C 3.54Å; Q86-A138 WeakPolarHBondContact O-CA 3.17Å; F87-A138 HydrophobicContact CD1-CB 4.27Å; F87-A138 HydrophobicContact CE1-CB 4.25Å; A138-S149 CarbonylContact O-C 3.59Å; A138-S149 WeakPolarHBondContact O-CA 3.05Å; A138-H150 HydrophobicContact CB-CB 4.2Å; A138-H150 PolarHBondContact N-O 3.4Å; A138-H150 WeakPolarHBondContact O-CB 3.38Å; A138-H150 PolarHBondContact O-N 2.89Å |
| 139 | I | 84.4 | Confident | 85.5 | Confident | 43 Ų | 43 | 50.6 Ų | 50.6 | 22% | 0.221 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 126.4 | -175.7 | -55 | 169.9 | 0 | 0 | 0 | 108.4 | L85 Q86 N147 R148 | L85-I139 WeakPolarHBondContact CA-O 3.36Å; Q86-I139 HydrophobicContact CB-CB 4.34Å; Q86-I139 PolarHBondContact N-O 3.17Å; Q86-I139 PolarHBondContact O-N 3.34Å; I139-N147 HydrophobicContact CG2-CB 4.39Å; I139-R148 WeakPolarHBondContact CA-O 3.4Å |
| 140 | C | 83.1 | Confident | 85.2 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 166.1 | 178.5 | 71.3 | 0 | 0 | 0 | 0 | 110.6 | C81 N147 R148 | C81-C140 VanDerWaalsContact CA-SG 3.57Å; C81-C140 HydrophobicContact CB-CB 3.49Å; C81-C140 VanDerWaalsContact CB-CB 3.49Å; C81-C140 WeakPolarHBondContact CB-SG 3.31Å; C81-C140 WeakPolarHBondContact SG-CB 3.48Å; C81-C140 CovalentContact SG-SG 2.01Å; C81-C140 PolarHBondContact SG-SG 3.41Å; C140-N147 CarbonylContact O-C 3.59Å; C140-R148 PolarHBondContact N-O 3.17Å; C140-R148 PolarHBondContact O-N 2.69Å; C140-R148 VanDerWaalsContact O-O 3.1Å |
| 141 | S | 82.5 | Confident | 85 | Confident | 25 Ų | 25 | 53.6 Ų | 53.6 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 138.7 | 176.3 | -60.2 | 0 | 0 | 0 | 0 | 112 | Y82 S83 N146 | Y82-S141 WeakPolarHBondContact CB-O 3.18Å; Y82-S141 PolarHBondContact N-O 3.15Å; S83-S141 PolarHBondContact OG-N 2.84Å; S83-S141 PolarHBondContact OG-OG 2.86Å; S141-N146 WeakPolarHBondContact CA-O 3.42Å |
| 142 | D | 79.7 | Confident | 84.8 | Confident | 27 Ų | 27 | 52.8 Ų | 52.8 | 14% | 0.144 | 28% | 0.278 | C | S | . | . | trans | -75.7 | 171.3 | 166.3 | -168.5 | -4.2 | 0 | 0 | 0 | 110.5 | Y82 K144 G145 N146 R148 | Y82-D142 VanDerWaalsContact CD2-C 3.44Å; D142-K144 PolarHBondContact O-N 2.93Å; D142-G145 PolarHBondContact O-N 2.51Å; D142-N146 PolarHBondContact N-O 3.4Å; D142-R148 HydrophobicContact CB-CG 4.11Å; D142-R148 IonicContact OD2-CZ 3.16Å; D142-R148 IonicContact OD2-NE 2.81Å; D142-R148 PolarHBondContact OD2-NE 3.4Å; D142-R148 IonicContact OD2-NH2 2.77Å; D142-R148 PolarHBondContact OD2-NH2 3.36Å | ||
| 143 | S | 73.4 | Confident | 84.8 | Confident | 71 Ų | 71 | 57.7 Ų | 57.7 | 50% | 0.497 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | -26.2 | 173.3 | 56.5 | 0 | 0 | 0 | 0 | 114.8 | Y82 | Y82-S143 VanDerWaalsContact CE2-N 3.26Š|
| 144 | K | 76.8 | Confident | 84.8 | Confident | 174 Ų | 174 | 54.6 Ų | 54.6 | 76% | 0.757 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -0.4 | 177.9 | -63 | -177.4 | -178.4 | 176.7 | 0 | 114.2 | D142 N146 | D142-K144 PolarHBondContact O-N 2.93Å; K144-N146 VanDerWaalsContact C-N 3.33Å |
| 145 | G | 76.9 | Confident | 84.8 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 54% | 0.536 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 79.6 | 9.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D142 | D142-G145 PolarHBondContact O-N 2.51Š|
| 146 | N | 82.1 | Confident | 84.9 | Confident | 107 Ų | 107 | 55.8 Ų | 55.8 | 57% | 0.572 | 30% | 0.298 | S | S | * | . | trans | -86.3 | 136.6 | 177.1 | -69.3 | -16.6 | 0 | 0 | 0 | 110.8 | S141 D142 K144 R148 | S141-N146 WeakPolarHBondContact CA-O 3.42Å; D142-N146 PolarHBondContact N-O 3.4Å; K144-N146 VanDerWaalsContact C-N 3.33Å; N146-R148 PolarHBondContact O-N 3.29Å | ||
| 147 | N | 83.4 | Confident | 85.1 | Confident | 126 Ų | 126 | 56.8 Ų | 56.8 | 67% | 0.674 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 121.4 | 173.5 | -66.4 | -0.9 | 0 | 0 | 0 | 110.5 | I139 C140 | I139-N147 HydrophobicContact CG2-CB 4.39Å; C140-N147 CarbonylContact O-C 3.59Å |
| 148 | R | 81.4 | Confident | 85.4 | Confident | 134 Ų | 134 | 55.8 Ų | 55.8 | 51% | 0.506 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 140.2 | 166.6 | -77 | -166.5 | -177.4 | -147.1 | 8.9 | 110 | I139 C140 D142 N146 | I139-R148 WeakPolarHBondContact CA-O 3.4Å; C140-R148 PolarHBondContact N-O 3.17Å; C140-R148 PolarHBondContact O-N 2.69Å; C140-R148 VanDerWaalsContact O-O 3.1Å; D142-R148 HydrophobicContact CB-CG 4.11Å; D142-R148 IonicContact OD2-CZ 3.16Å; D142-R148 IonicContact OD2-NE 2.81Å; D142-R148 PolarHBondContact OD2-NE 3.4Å; D142-R148 IonicContact OD2-NH2 2.77Å; D142-R148 PolarHBondContact OD2-NH2 3.36Å; N146-R148 PolarHBondContact O-N 3.29Å |
| 149 | S | 83.2 | Confident | 85.7 | Confident | 70 Ų | 70 | 55.9 Ų | 55.9 | 49% | 0.49 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 125.2 | 171.3 | 61.5 | 0 | 0 | 0 | 0 | 110.7 | A138 | A138-S149 CarbonylContact O-C 3.59Å; A138-S149 WeakPolarHBondContact O-CA 3.05Å |
| 150 | H | 85.7 | Confident | 85.8 | Confident | 20 Ų | 20 | 54.2 Ų | 54.2 | 9% | 0.093 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 107.5 | 178.3 | -72.2 | -47.5 | 0 | 0 | 0 | 108.9 | K79 E137 A138 F152 | K79-H150 HydrophobicContact CB-CB 4.45Å; K79-H150 HydrophobicContact CD-CB 3.62Å; K79-H150 WeakPolarHBondContact CD-ND1 3.36Å; K79-H150 HydrophobicContact CG-CB 4.49Å; K79-H150 WeakPolarHBondContact CG-ND1 3.42Å; E137-H150 WeakPolarHBondContact CA-O 3.32Å; A138-H150 HydrophobicContact CB-CB 4.2Å; A138-H150 PolarHBondContact N-O 3.4Å; A138-H150 WeakPolarHBondContact O-CB 3.38Å; A138-H150 PolarHBondContact O-N 2.89Å; H150-F152 HydrophobicContact CB-CE2 4.16Å |
| 151 | T | 88 | Confident | 85.8 | Confident | 51 Ų | 51 | 57.1 Ų | 57.1 | 31% | 0.313 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 137.2 | -176.5 | -63 | 0 | 0 | 0 | 0 | 111.8 | K79 R135 F136 L153 | K79-T151 PolarHBondContact NZ-O 3.34Å; R135-T151 HydrophobicContact CG-CG2 3.41Å; R135-T151 VanDerWaalsContact CG-CG2 3.41Å; F136-T151 CarbonylContact O-C 3.6Å; F136-T151 WeakPolarHBondContact O-CA 3.3Å; T151-L153 HydrophobicContact CG2-CD2 4.08Å; T151-L153 HydrophobicContact CG2-CG 4.38Å |
| 152 | F | 89.2 | Confident | 85.2 | Confident | 27 Ų | 27 | 60.1 Ų | 60.1 | 12% | 0.118 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 132.7 | 170.4 | -57.9 | -94.2 | 0 | 0 | 0 | 108.5 | V39 F41 K79 F136 H150 | V39-F152 HydrophobicContact CB-CD1 3.87Å; V39-F152 HydrophobicContact CB-CD2 4.01Å; V39-F152 HydrophobicContact CB-CE1 3.93Å; V39-F152 HydrophobicContact CB-CE2 4.07Å; V39-F152 HydrophobicContact CB-CG 3.9Å; V39-F152 HydrophobicContact CB-CZ 4.02Å; V39-F152 HydrophobicContact CG2-CD1 4.37Å; V39-F152 HydrophobicContact CG2-CD2 3.77Å; V39-F152 HydrophobicContact CG2-CE1 4.13Å; V39-F152 HydrophobicContact CG2-CE2 3.49Å; V39-F152 VanDerWaalsContact CG2-CE2 3.49Å; V39-F152 HydrophobicContact CG2-CG 4.2Å; V39-F152 HydrophobicContact CG2-CZ 3.67Å; F41-F152 HydrophobicContact CE2-CB 4.08Å; F41-F152 HydrophobicContact CZ-CB 3.93Å; K79-F152 HydrophobicContact CD-CE1 4.39Å; K79-F152 HydrophobicContact CD-CE2 4.3Å; K79-F152 HydrophobicContact CD-CZ 3.77Å; F136-F152 HydrophobicContact CB-CB 4.35Å; F136-F152 HydrophobicContact CD1-CD2 4.1Å; F136-F152 PolarHBondContact N-O 2.8Å; F136-F152 PolarHBondContact O-N 2.88Å; H150-F152 HydrophobicContact CB-CE2 4.16Å |
| 153 | L | 91.7 | Very high | 84.8 | Confident | 103 Ų | 103 | 62.4 Ų | 62.4 | 54% | 0.539 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 130.4 | -176 | -64.2 | 177.2 | 0 | 0 | 0 | 110.4 | L92 V134 R135 T151 | L92-L153 HydrophobicContact CD1-CD2 3.64Å; V134-L153 WeakPolarHBondContact O-CA 3.24Å; R135-L153 HydrophobicContact CB-CD2 4.2Å; R135-L153 HydrophobicContact CG-CD2 4.2Å; T151-L153 HydrophobicContact CG2-CD2 4.08Å; T151-L153 HydrophobicContact CG2-CG 4.38Å |
| 154 | Y | 92.2 | Very high | 85.3 | Confident | 8 Ų | 8 | 64.3 Ų | 64.3 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 113.8 | 172.4 | -171.7 | -107.1 | 0 | 0 | 0 | 109.3 | F41 P43 P46 V57 V134 V156 | F41-Y154 HydrophobicContact CB-CD2 3.52Å; F41-Y154 HydrophobicContact CB-CE2 3.52Å; F41-Y154 HydrophobicContact CB-CG 4.47Å; F41-Y154 HydrophobicContact CD1-CD2 4.08Å; F41-Y154 HydrophobicContact CD1-CG 4.28Å; F41-Y154 AromaticContact CD2-CD2 3.67Å; F41-Y154 HydrophobicContact CD2-CD2 3.67Å; F41-Y154 HydrophobicContact CD2-CE2 4.49Å; F41-Y154 HydrophobicContact CD2-CG 4.34Å; F41-Y154 HydrophobicContact CE2-CD2 4.38Å; F41-Y154 AromaticContact CG-CD2 3.48Å; F41-Y154 HydrophobicContact CG-CD2 3.48Å; F41-Y154 VanDerWaalsContact CG-CD2 3.48Å; F41-Y154 HydrophobicContact CG-CE2 4.04Å; F41-Y154 HydrophobicContact CG-CG 4.11Å; P43-Y154 WeakPolarHBondContact O-CE2 3.5Å; P43-Y154 PolarHBondContact O-OH 2.88Å; P46-Y154 WeakPolarHBondContact CA-OH 3.32Å; P46-Y154 HydrophobicContact CB-CE1 3.94Å; P46-Y154 WeakPolarHBondContact CB-OH 3.49Å; P46-Y154 HydrophobicContact CG-CE1 4.09Å; P46-Y154 HydrophobicContact CG-CE2 4.24Å; V57-Y154 HydrophobicContact CB-CE1 4.44Å; V57-Y154 HydrophobicContact CG1-CD1 4.23Å; V57-Y154 HydrophobicContact CG1-CE1 3.92Å; V57-Y154 HydrophobicContact CG1-CE2 4.47Å; V57-Y154 HydrophobicContact CG2-CD1 4.29Å; V57-Y154 HydrophobicContact CG2-CE1 3.62Å; V134-Y154 PolarHBondContact N-O 2.88Å; V134-Y154 PolarHBondContact O-N 3.32Å; Y154-V156 HydrophobicContact CD1-CG2 3.53Å; Y154-V156 HydrophobicContact CE1-CG2 3.52Å |
| 155 | K | 93.2 | Very high | 85.7 | Confident | 111 Ų | 111 | 58.8 Ų | 58.8 | 48% | 0.483 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 118.3 | -175.2 | 178.2 | -175.1 | 173.8 | -173.3 | 0 | 109.8 | P46 H131 G132 F133 | P46-K155 WeakPolarHBondContact CG-O 3.49Å; H131-K155 WeakPolarHBondContact CD2-CE 3.33Å; H131-K155 WeakPolarHBondContact NE2-CE 3.5Å; G132-K155 CarbonylContact O-C 3.58Å; G132-K155 WeakPolarHBondContact O-CA 3.38Å; F133-K155 HydrophobicContact CD1-CB 3.94Å; F133-K155 HydrophobicContact CD1-CG 4.09Å; F133-K155 HydrophobicContact CE1-CB 3.86Å; F133-K155 HydrophobicContact CE1-CD 3.9Å; F133-K155 HydrophobicContact CE1-CG 3.64Å; F133-K155 HydrophobicContact CZ-CD 4.28Å; F133-K155 HydrophobicContact CZ-CG 4.18Å |
| 156 | V | 93.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 133.3 | 178 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | P46 L49 V124 G132 Y154 | P46-V156 HydrophobicContact CB-CG2 4.28Å; L49-V156 HydrophobicContact CB-CG1 4.32Å; L49-V156 HydrophobicContact CD2-CG1 4.36Å; V124-V156 HydrophobicContact CG1-CG1 4.49Å; V124-V156 HydrophobicContact CG1-CG2 4.27Å; G132-V156 PolarHBondContact N-O 3.3Å; G132-V156 PolarHBondContact O-N 3.36Å; Y154-V156 HydrophobicContact CD1-CG2 3.53Å; Y154-V156 HydrophobicContact CE1-CG2 3.52Å |
| 157 | A | 93.4 | Very high | 86.5 | Confident | 21 Ų | 21 | 57.1 Ų | 57.1 | 17% | 0.174 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 125.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | L48 L49 | L48-A157 HydrophobicContact CD1-CB 3.78Å; L49-A157 PolarHBondContact N-O 3.31Å |
| 158 | V | 93.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 128.3 | 177 | -175.7 | 0 | 0 | 0 | 0 | 109 | L49 E51 I96 I97 F128 L129 G130 P365 | L49-V158 HydrophobicContact CB-CG2 4.49Å; L49-V158 CarbonylContact O-C 3.47Å; L49-V158 WeakPolarHBondContact O-CA 3.3Å; E51-V158 HydrophobicContact CG-CG1 4.18Å; I96-V158 HydrophobicContact CG2-CB 4.35Å; I96-V158 HydrophobicContact CG2-CG2 4.13Å; I97-V158 HydrophobicContact CG2-CG2 3.52Å; F128-V158 WeakPolarHBondContact O-CB 3.25Å; F128-V158 WeakPolarHBondContact O-CG1 3.32Å; L129-V158 VanDerWaalsContact CA-O 3.31Å; L129-V158 WeakPolarHBondContact CA-O 3.43Å; G130-V158 PolarHBondContact N-O 3.34Å; G130-V158 PolarHBondContact O-N 3.49Å; V158-P365 VanDerWaalsContact O-CB 3.28Å; V158-P365 WeakPolarHBondContact O-CB 3.4Å; V158-P365 WeakPolarHBondContact O-CG 3.4Å |
| 159 | T | 91.8 | Very high | 87.3 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 151.7 | 171.6 | 53.5 | 0 | 0 | 0 | 0 | 110.9 | L48 L49 T50 E51 K364 P365 | L48-T159 HydrophobicContact CD1-CG2 3.53Å; L48-T159 HydrophobicContact CD2-CG2 3.6Å; L48-T159 HydrophobicContact CG-CG2 3.58Å; L49-T159 PolarHBondContact O-N 3.5Å; L49-T159 PolarHBondContact O-OG1 2.95Å; T50-T159 CarbonylContact C-O 3.55Å; T50-T159 VanDerWaalsContact CA-O 3.3Å; T50-T159 WeakPolarHBondContact CA-O 3.39Å; E51-T159 PolarHBondContact N-O 3.07Å; T159-K364 HydrophobicContact CG2-CB 3.55Å; T159-P365 HydrophobicContact CG2-CB 4.24Å |
| 160 | R | 87 | Confident | 87.6 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | trans | -59.1 | 155.2 | 167.7 | 64.5 | -173.9 | -173.5 | 99.4 | 0.3 | 110.6 | E162 D163 D368 | R160-E162 PolarHBondContact O-N 3.48Å; R160-D163 IonicContact NH1-OD2 2.78Å; R160-D163 PolarHBondContact NH1-OD2 2.63Å; R160-D368 WeakPolarHBondContact CD-OD2 3.18Å; R160-D368 IonicContact CZ-OD2 3.26Å; R160-D368 IonicContact NE-OD2 2.6Å; R160-D368 PolarHBondContact NE-OD2 2.8Å | ||
| 161 | T | 82.5 | Confident | 87.9 | Confident | 64 Ų | 64 | 46.8 Ų | 46.8 | 39% | 0.393 | 25% | 0.252 | S | S | . | . | trans | -55.1 | 133.8 | 166.2 | 51 | 0 | 0 | 0 | 0 | 109.2 | E51 D163 | E51-T161 HydrophobicContact CB-CG2 4.44Å; T161-D163 PolarHBondContact O-N 3.18Å | ||
| 162 | E | 69.9 | Low | 88.2 | Confident | 88 Ų | 88 | 46.9 Ų | 46.9 | 41% | 0.411 | 25% | 0.252 | S | S | . | . | trans | -66.3 | 93.6 | -174.9 | -73.4 | -66.7 | 177.3 | 0 | 0 | 111.1 | R160 T164 Y167 K364 | R160-E162 PolarHBondContact O-N 3.48Å; E162-T164 PolarHBondContact O-N 3.32Å; E162-Y167 PolarHBondContact OE1-OH 2.89Å; E162-Y167 WeakPolarHBondContact OE2-CE2 3.45Å; E162-Y167 PolarHBondContact OE2-OH 3.23Å; E162-K364 IonicContact OE1-NZ 4Å; E162-K364 PolarHBondContact OE1-NZ 3.29Å; E162-K364 IonicContact OE2-NZ 3.07Å; E162-K364 PolarHBondContact OE2-NZ 2.8Å | ||
| 163 | D | 70.9 | Confident | 88.3 | Confident | 74 Ų | 74 | 45.6 Ų | 45.6 | 40% | 0.396 | 25% | 0.246 | S | C | . | . | trans | -79.6 | 112.2 | 172.4 | -60.9 | -39.3 | 0 | 0 | 0 | 108.8 | R160 T161 L165 G166 | R160-D163 IonicContact NH1-OD2 2.78Å; R160-D163 PolarHBondContact NH1-OD2 2.63Å; T161-D163 PolarHBondContact O-N 3.18Å; D163-L165 HydrophobicContact CB-CB 4.33Å; D163-L165 PolarHBondContact O-N 2.95Å; D163-G166 PolarHBondContact O-N 3.47Å | ||
| 164 | T | 84.7 | Confident | 88.2 | Confident | 112 Ų | 112 | 42.2 Ų | 42.2 | 69% | 0.687 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -45 | -33.8 | 169.2 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | E162 G166 Y167 V168 | E162-T164 PolarHBondContact O-N 3.32Å; T164-G166 VanDerWaalsContact C-N 3.33Å; T164-G166 PolarHBondContact O-N 3.46Å; T164-Y167 PolarHBondContact O-N 2.86Å; T164-V168 HydrophobicContact CG2-CG2 4.27Å; T164-V168 VanDerWaalsContact O-CG2 3.32Å; T164-V168 WeakPolarHBondContact O-CG2 3.33Å; T164-V168 PolarHBondContact O-N 3.44Å |
| 165 | L | 86.2 | Confident | 88.2 | Confident | 57 Ų | 57 | 46.9 Ų | 46.9 | 30% | 0.298 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.4 | -37.6 | 177.2 | -168.3 | 67.6 | 0 | 0 | 0 | 113.9 | D163 V168 F169 F294 Y297 | D163-L165 HydrophobicContact CB-CB 4.33Å; D163-L165 PolarHBondContact O-N 2.95Å; L165-V168 PolarHBondContact O-N 3.32Å; L165-F169 WeakPolarHBondContact O-CB 3.39Å; L165-F169 PolarHBondContact O-N 3.13Å; L165-F294 HydrophobicContact CD1-CE2 3.59Å; L165-F294 HydrophobicContact CD1-CZ 3.47Å; L165-F294 VanDerWaalsContact CD1-CZ 3.47Å; L165-F294 HydrophobicContact CG-CZ 4.34Å; L165-Y297 HydrophobicContact CD2-CD1 3.91Å; L165-Y297 HydrophobicContact CD2-CE1 3.84Å |
| 166 | G | 85.9 | Confident | 88 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.6 | -40.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D163 T164 F169 I170 | D163-G166 PolarHBondContact O-N 3.47Å; T164-G166 VanDerWaalsContact C-N 3.33Å; T164-G166 PolarHBondContact O-N 3.46Å; G166-F169 WeakPolarHBondContact O-CB 3.37Å; G166-F169 PolarHBondContact O-N 3.12Å; G166-I170 WeakPolarHBondContact O-CG1 3.23Å; G166-I170 PolarHBondContact O-N 2.97Å |
| 167 | Y | 88.4 | Confident | 87.7 | Confident | 124 Ų | 124 | 43.3 Ų | 43.3 | 49% | 0.486 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.7 | -42 | 173.9 | -70.5 | -69.4 | 0 | 0 | 0 | 112.2 | E162 T164 F169 I170 G171 K364 | E162-Y167 PolarHBondContact OE1-OH 2.89Å; E162-Y167 WeakPolarHBondContact OE2-CE2 3.45Å; E162-Y167 PolarHBondContact OE2-OH 3.23Å; T164-Y167 PolarHBondContact O-N 2.86Å; Y167-F169 VanDerWaalsContact C-N 3.31Å; Y167-F169 PolarHBondContact O-N 3.39Å; Y167-I170 PolarHBondContact O-N 2.88Å; Y167-G171 PolarHBondContact O-N 3.2Å; Y167-K364 VanDerWaalsContact CZ-NZ 3.34Å; Y167-K364 PolarHBondContact OH-NZ 3.39Å |
| 168 | V | 91.7 | Very high | 87.4 | Confident | 69 Ų | 69 | 46.5 Ų | 46.5 | 42% | 0.418 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.5 | -44 | 173.5 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | T164 L165 G171 V172 F294 | T164-V168 HydrophobicContact CG2-CG2 4.27Å; T164-V168 VanDerWaalsContact O-CG2 3.32Å; T164-V168 WeakPolarHBondContact O-CG2 3.33Å; T164-V168 PolarHBondContact O-N 3.44Å; L165-V168 PolarHBondContact O-N 3.32Å; V168-G171 PolarHBondContact O-N 3.47Å; V168-V172 HydrophobicContact CG1-CG2 4.15Å; V168-V172 WeakPolarHBondContact O-CB 3.38Å; V168-V172 VanDerWaalsContact O-CG2 3.26Å; V168-V172 WeakPolarHBondContact O-CG2 3.34Å; V168-V172 PolarHBondContact O-N 3.28Å; V168-F294 HydrophobicContact CG1-CZ 4.23Å |
| 169 | F | 90.1 | Very high | 87 | Confident | 10 Ų | 10 | 50 Ų | 50 | 4% | 0.044 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.1 | -50.3 | 175.5 | 170.6 | -106.1 | 0 | 0 | 0 | 112.3 | L165 G166 Y167 G171 V172 L173 F290 F294 N299 | L165-F169 WeakPolarHBondContact O-CB 3.39Å; L165-F169 PolarHBondContact O-N 3.13Å; G166-F169 WeakPolarHBondContact O-CB 3.37Å; G166-F169 PolarHBondContact O-N 3.12Å; Y167-F169 VanDerWaalsContact C-N 3.31Å; Y167-F169 PolarHBondContact O-N 3.39Å; F169-G171 VanDerWaalsContact C-N 3.34Å; F169-G171 PolarHBondContact O-N 2.87Å; F169-V172 PolarHBondContact O-N 3.14Å; F169-L173 HydrophobicContact CE1-CD2 4.06Å; F169-L173 HydrophobicContact CZ-CD2 3.9Å; F169-L173 WeakPolarHBondContact O-CB 3.46Å; F169-L173 PolarHBondContact O-N 3.13Å; F169-F290 HydrophobicContact CD2-CE1 4.01Å; F169-F290 HydrophobicContact CD2-CZ 4.24Å; F169-F290 HydrophobicContact CE2-CE1 4.02Å; F169-F294 HydrophobicContact CB-CD1 4.46Å; F169-F294 HydrophobicContact CB-CE1 3.86Å; F169-F294 AromaticContact CD2-CD1 3.91Å; F169-F294 HydrophobicContact CD2-CD1 3.91Å; F169-F294 HydrophobicContact CD2-CE1 4.14Å; F169-N299 VanDerWaalsContact CD1-ND2 3.31Å; F169-N299 WeakPolarHBondContact CD1-ND2 3.18Å; F169-N299 WeakPolarHBondContact CE1-ND2 3.43Å |
| 170 | I | 89.9 | Confident | 86.5 | Confident | 22 Ų | 22 | 50 Ų | 50 | 11% | 0.113 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 179.6 | -65.7 | 160.4 | 0 | 0 | 0 | 110.6 | G166 Y167 S174 Q359 | G166-I170 WeakPolarHBondContact O-CG1 3.23Å; G166-I170 PolarHBondContact O-N 2.97Å; Y167-I170 PolarHBondContact O-N 2.88Å; I170-S174 WeakPolarHBondContact O-CB 3.05Å; I170-S174 PolarHBondContact O-N 2.91Å; I170-S174 PolarHBondContact O-OG 3.29Å; I170-Q359 HydrophobicContact CD1-CB 3.9Å; I170-Q359 HydrophobicContact CD1-CG 3.67Å; I170-Q359 HydrophobicContact CG1-CB 4.5Å; I170-Q359 HydrophobicContact CG1-CG 4.21Å |
| 171 | G | 93.1 | Very high | 86.1 | Confident | 33 Ų | 33 | 50.3 Ų | 50.3 | 34% | 0.34 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.4 | -50.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y167 V168 F169 S174 I175 | Y167-G171 PolarHBondContact O-N 3.2Å; V168-G171 PolarHBondContact O-N 3.47Å; F169-G171 VanDerWaalsContact C-N 3.34Å; F169-G171 PolarHBondContact O-N 2.87Å; G171-S174 PolarHBondContact O-N 3.43Å; G171-I175 WeakPolarHBondContact O-CG1 3.47Å; G171-I175 PolarHBondContact O-N 3.14Å |
| 172 | V | 93.5 | Very high | 86.1 | Confident | 52 Ų | 52 | 53.9 Ų | 53.9 | 32% | 0.315 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 178.1 | 175.1 | 0 | 0 | 0 | 0 | 111 | V168 F169 S174 I175 L176 F290 | V168-V172 HydrophobicContact CG1-CG2 4.15Å; V168-V172 WeakPolarHBondContact O-CB 3.38Å; V168-V172 VanDerWaalsContact O-CG2 3.26Å; V168-V172 WeakPolarHBondContact O-CG2 3.34Å; V168-V172 PolarHBondContact O-N 3.28Å; F169-V172 PolarHBondContact O-N 3.14Å; V172-S174 VanDerWaalsContact C-N 3.3Å; V172-S174 PolarHBondContact O-N 3.46Å; V172-I175 PolarHBondContact O-N 3.29Å; V172-L176 HydrophobicContact CG1-CD1 3.85Å; V172-L176 HydrophobicContact CG1-CG 4.11Å; V172-L176 WeakPolarHBondContact O-CB 3.43Å; V172-L176 VanDerWaalsContact O-CG 3.3Å; V172-L176 WeakPolarHBondContact O-CG 3.45Å; V172-L176 PolarHBondContact O-N 2.75Å; V172-F290 HydrophobicContact CB-CE1 4.48Å; V172-F290 HydrophobicContact CB-CZ 3.88Å; V172-F290 HydrophobicContact CG1-CE1 3.89Å; V172-F290 HydrophobicContact CG1-CE2 3.82Å; V172-F290 HydrophobicContact CG1-CZ 3.33Å |
| 173 | L | 90.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.5 | -44 | 175.8 | 179.1 | 62.8 | 0 | 0 | 0 | 110.9 | F169 L176 L177 I291 I355 V356 | F169-L173 HydrophobicContact CE1-CD2 4.06Å; F169-L173 HydrophobicContact CZ-CD2 3.9Å; F169-L173 WeakPolarHBondContact O-CB 3.46Å; F169-L173 PolarHBondContact O-N 3.13Å; L173-L176 PolarHBondContact O-N 2.9Å; L173-L177 HydrophobicContact CD1-CD1 4.09Å; L173-L177 HydrophobicContact CD1-CG 4.12Å; L173-L177 HydrophobicContact CG-CD1 3.95Å; L173-L177 HydrophobicContact CG-CG 4.39Å; L173-L177 WeakPolarHBondContact O-CB 3.31Å; L173-L177 WeakPolarHBondContact O-CG 3.28Å; L173-L177 PolarHBondContact O-N 3.29Å; L173-I291 HydrophobicContact CD1-CD1 4.22Å; L173-I291 HydrophobicContact CD1-CG1 4.33Å; L173-I355 HydrophobicContact CD2-CG2 4.34Å; L173-V356 HydrophobicContact CD2-CG2 4.12Å; L173-V356 HydrophobicContact CG-CG2 4.28Å |
| 174 | S | 90.9 | Very high | 86.8 | Confident | 31 Ų | 31 | 48.8 Ų | 48.8 | 22% | 0.217 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 179 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | I170 G171 V172 L177 C178 V356 | I170-S174 WeakPolarHBondContact O-CB 3.05Å; I170-S174 PolarHBondContact O-N 2.91Å; I170-S174 PolarHBondContact O-OG 3.29Å; G171-S174 PolarHBondContact O-N 3.43Å; V172-S174 VanDerWaalsContact C-N 3.3Å; V172-S174 PolarHBondContact O-N 3.46Å; S174-L177 PolarHBondContact O-N 2.88Å; S174-C178 PolarHBondContact O-N 3.23Å; S174-C178 PolarHBondContact O-SG 3.44Å; S174-V356 WeakPolarHBondContact OG-CG1 3.35Å; S174-V356 WeakPolarHBondContact OG-CG2 2.98Å |
| 175 | I | 92.2 | Very high | 86.4 | Confident | 106 Ų | 106 | 45.2 Ų | 45.2 | 54% | 0.544 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.4 | -47.3 | 176 | -67.6 | 166.2 | 0 | 0 | 0 | 110.9 | G171 V172 L177 C178 I179 | G171-I175 WeakPolarHBondContact O-CG1 3.47Å; G171-I175 PolarHBondContact O-N 3.14Å; V172-I175 PolarHBondContact O-N 3.29Å; I175-L177 VanDerWaalsContact C-N 3.32Å; I175-L177 PolarHBondContact O-N 3.43Å; I175-C178 PolarHBondContact O-N 3.33Å; I175-I179 HydrophobicContact CG2-CD1 3.75Å; I175-I179 HydrophobicContact CG2-CG1 4.39Å; I175-I179 WeakPolarHBondContact O-CG1 3.26Å; I175-I179 PolarHBondContact O-N 3.4Å |
| 176 | L | 89 | Confident | 86 | Confident | 18 Ų | 18 | 46.3 Ų | 46.3 | 9% | 0.094 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 179 | -73.7 | 177.4 | 0 | 0 | 0 | 111.9 | V172 L173 I179 A180 F283 F286 V287 F290 | V172-L176 HydrophobicContact CG1-CD1 3.85Å; V172-L176 HydrophobicContact CG1-CG 4.11Å; V172-L176 WeakPolarHBondContact O-CB 3.43Å; V172-L176 VanDerWaalsContact O-CG 3.3Å; V172-L176 WeakPolarHBondContact O-CG 3.45Å; V172-L176 PolarHBondContact O-N 2.75Å; L173-L176 PolarHBondContact O-N 2.9Å; L176-I179 PolarHBondContact O-N 2.89Å; L176-A180 VanDerWaalsContact O-CB 3.24Å; L176-A180 WeakPolarHBondContact O-CB 3.41Å; L176-A180 PolarHBondContact O-N 2.81Å; L176-F283 HydrophobicContact CD2-CE2 4.38Å; L176-F283 HydrophobicContact CD2-CZ 3.93Å; L176-F286 HydrophobicContact CD2-CE1 4.12Å; L176-V287 HydrophobicContact CB-CG2 4.23Å; L176-V287 HydrophobicContact CD1-CG2 4.47Å; L176-F290 HydrophobicContact CD1-CD1 3.6Å; L176-F290 HydrophobicContact CD1-CE1 3.88Å; L176-F290 HydrophobicContact CD1-CG 3.97Å; L176-F290 HydrophobicContact CD1-CZ 4.46Å |
| 177 | L | 86.5 | Confident | 85.5 | Confident | 18 Ų | 18 | 49 Ų | 49 | 9% | 0.094 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 175.7 | -70.3 | 172.1 | 0 | 0 | 0 | 111.5 | L173 S174 I175 I179 A180 N181 G352 I353 V356 | L173-L177 HydrophobicContact CD1-CD1 4.09Å; L173-L177 HydrophobicContact CD1-CG 4.12Å; L173-L177 HydrophobicContact CG-CD1 3.95Å; L173-L177 HydrophobicContact CG-CG 4.39Å; L173-L177 WeakPolarHBondContact O-CB 3.31Å; L173-L177 WeakPolarHBondContact O-CG 3.28Å; L173-L177 PolarHBondContact O-N 3.29Å; S174-L177 PolarHBondContact O-N 2.88Å; I175-L177 VanDerWaalsContact C-N 3.32Å; I175-L177 PolarHBondContact O-N 3.43Å; L177-I179 PolarHBondContact O-N 2.92Å; L177-A180 PolarHBondContact O-N 3.49Å; L177-N181 WeakPolarHBondContact O-CB 3.14Å; L177-N181 PolarHBondContact O-N 2.94Å; L177-N181 PolarHBondContact O-ND2 3.07Å; L177-G352 VanDerWaalsContact CD1-C 3.46Å; L177-I353 HydrophobicContact CD1-CG1 4.17Å; L177-V356 HydrophobicContact CD1-CG2 4.25Å |
| 178 | C | 86.3 | Confident | 85.1 | Confident | 89 Ų | 89 | 44.2 Ų | 44.2 | 60% | 0.601 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -59.9 | -45.1 | 174 | -72 | 0 | 0 | 0 | 0 | 111.9 | S174 I175 F182 | S174-C178 PolarHBondContact O-N 3.23Å; S174-C178 PolarHBondContact O-SG 3.44Å; I175-C178 PolarHBondContact O-N 3.33Å; C178-F182 WeakPolarHBondContact O-CB 3.38Å; C178-F182 PolarHBondContact O-N 3.02Å |
| 179 | I | 86.7 | Confident | 84.8 | Confident | 73 Ų | 73 | 47.3 Ų | 47.3 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.1 | -46.4 | 177.5 | -66.5 | 172.3 | 0 | 0 | 0 | 110.7 | I175 L176 L177 N181 F182 I183 F283 | I175-I179 HydrophobicContact CG2-CD1 3.75Å; I175-I179 HydrophobicContact CG2-CG1 4.39Å; I175-I179 WeakPolarHBondContact O-CG1 3.26Å; I175-I179 PolarHBondContact O-N 3.4Å; L176-I179 PolarHBondContact O-N 2.89Å; L177-I179 PolarHBondContact O-N 2.92Å; I179-N181 VanDerWaalsContact C-N 3.26Å; I179-N181 PolarHBondContact O-N 3.19Å; I179-F182 PolarHBondContact O-N 3.38Å; I179-I183 HydrophobicContact CG2-CD1 3.57Å; I179-I183 HydrophobicContact CG2-CG1 4.13Å; I179-I183 WeakPolarHBondContact O-CG1 3.31Å; I179-I183 PolarHBondContact O-N 2.67Å; I179-F283 HydrophobicContact CB-CZ 4.07Å; I179-F283 HydrophobicContact CG2-CE1 4.22Å; I179-F283 HydrophobicContact CG2-CE2 4.07Å; I179-F283 HydrophobicContact CG2-CZ 3.64Å |
| 180 | A | 81.2 | Confident | 84.6 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -51.7 | -52.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | L176 L177 M184 F283 F284 | L176-A180 VanDerWaalsContact O-CB 3.24Å; L176-A180 WeakPolarHBondContact O-CB 3.41Å; L176-A180 PolarHBondContact O-N 2.81Å; L177-A180 PolarHBondContact O-N 3.49Å; A180-M184 WeakPolarHBondContact O-CB 3.36Å; A180-M184 WeakPolarHBondContact O-CG 3.26Å; A180-M184 PolarHBondContact O-N 3.49Å; A180-F283 VanDerWaalsContact CA-CE1 3.47Å; A180-F283 HydrophobicContact CB-CD1 4.09Å; A180-F283 HydrophobicContact CB-CE1 3.63Å; A180-F284 HydrophobicContact CB-CE1 4.3Å; A180-F284 HydrophobicContact CB-CE2 4.31Å; A180-F284 HydrophobicContact CB-CZ 3.88Å |
| 181 | N | 79 | Confident | 84.7 | Confident | 14 Ų | 14 | 58.3 Ų | 58.3 | 8% | 0.075 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61 | -49 | 179.9 | -77.1 | -8.7 | 0 | 0 | 0 | 111.2 | L177 I179 I183 M184 A185 F274 | L177-N181 WeakPolarHBondContact O-CB 3.14Å; L177-N181 PolarHBondContact O-N 2.94Å; L177-N181 PolarHBondContact O-ND2 3.07Å; I179-N181 VanDerWaalsContact C-N 3.26Å; I179-N181 PolarHBondContact O-N 3.19Å; N181-I183 PolarHBondContact O-N 3.42Å; N181-M184 CarbonylContact O-C 3.56Å; N181-M184 WeakPolarHBondContact O-CA 3.3Å; N181-M184 WeakPolarHBondContact O-CB 3.44Å; N181-M184 PolarHBondContact O-N 2.92Å; N181-M184 VanDerWaalsContact O-N 3.14Å; N181-A185 PolarHBondContact O-N 3.47Å; N181-F274 HydrophobicContact CB-CB 4.14Å; N181-F274 HydrophobicContact CB-CD1 3.58Å; N181-F274 HydrophobicContact CB-CD2 3.41Å; N181-F274 VanDerWaalsContact CB-CD2 3.41Å; N181-F274 HydrophobicContact CB-CE1 3.75Å; N181-F274 HydrophobicContact CB-CE2 3.57Å; N181-F274 HydrophobicContact CB-CG 3.42Å; N181-F274 VanDerWaalsContact CB-CG 3.42Å; N181-F274 HydrophobicContact CB-CZ 3.74Å; N181-F274 VanDerWaalsContact CG-CD2 3.44Å; N181-F274 WeakPolarHBondContact O-CB 3.42Å; N181-F274 WeakPolarHBondContact O-CD1 3.42Å; N181-F274 WeakPolarHBondContact O-CG 3.47Å |
| 182 | F | 81.2 | Confident | 84.4 | Confident | 140 Ų | 140 | 58.5 Ų | 58.5 | 61% | 0.614 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.3 | -46.2 | 179.6 | -179 | -95.7 | 0 | 0 | 0 | 113.4 | C178 I179 M184 A185 S186 | C178-F182 WeakPolarHBondContact O-CB 3.38Å; C178-F182 PolarHBondContact O-N 3.02Å; I179-F182 PolarHBondContact O-N 3.38Å; F182-M184 VanDerWaalsContact C-N 3.26Å; F182-M184 PolarHBondContact O-N 3.37Å; F182-A185 PolarHBondContact O-N 2.9Å; F182-S186 PolarHBondContact O-N 2.93Å; F182-S186 VanDerWaalsContact O-N 3.16Å; F182-S186 PolarHBondContact O-OG 3.48Å |
| 183 | I | 80 | Confident | 84.2 | Confident | 50 Ų | 50 | 56.3 Ų | 56.3 | 26% | 0.256 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 177.2 | -58.3 | 168.9 | 0 | 0 | 0 | 109.2 | I179 N181 S186 L280 | I179-I183 HydrophobicContact CG2-CD1 3.57Å; I179-I183 HydrophobicContact CG2-CG1 4.13Å; I179-I183 WeakPolarHBondContact O-CG1 3.31Å; I179-I183 PolarHBondContact O-N 2.67Å; N181-I183 PolarHBondContact O-N 3.42Å; I183-S186 PolarHBondContact O-N 3Å; I183-L280 HydrophobicContact CB-CD2 3.5Å; I183-L280 HydrophobicContact CG2-CD2 3.24Å; I183-L280 HydrophobicContact CG2-CG 3.87Å |
| 184 | M | 76.7 | Confident | 84.3 | Confident | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.025 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.6 | -53.6 | 172.6 | -65.5 | -129.5 | -72.8 | 0 | 0 | 111.5 | A180 N181 F182 S186 E187 F274 A275 L280 F284 | A180-M184 WeakPolarHBondContact O-CB 3.36Å; A180-M184 WeakPolarHBondContact O-CG 3.26Å; A180-M184 PolarHBondContact O-N 3.49Å; N181-M184 CarbonylContact O-C 3.56Å; N181-M184 WeakPolarHBondContact O-CA 3.3Å; N181-M184 WeakPolarHBondContact O-CB 3.44Å; N181-M184 PolarHBondContact O-N 2.92Å; N181-M184 VanDerWaalsContact O-N 3.14Å; F182-M184 VanDerWaalsContact C-N 3.26Å; F182-M184 PolarHBondContact O-N 3.37Å; M184-S186 PolarHBondContact O-N 3.32Å; M184-S186 VanDerWaalsContact O-N 3.1Å; M184-E187 PolarHBondContact O-N 3.45Å; M184-F274 HydrophobicContact CB-CB 4.04Å; M184-F274 HydrophobicContact CE-CB 4.28Å; M184-A275 VanDerWaalsContact C-N 3.27Å; M184-A275 CarbonylContact C-O 3.55Å; M184-A275 CarbonylContact O-C 3.37Å; M184-A275 PolarHBondContact O-N 2.95Å; M184-L280 HydrophobicContact CB-CD1 4.03Å; M184-L280 HydrophobicContact CG-CD1 3.65Å; M184-L280 HydrophobicContact CG-CD2 3.79Å; M184-L280 HydrophobicContact CG-CG 4.31Å; M184-L280 HydrophobicContact SD-CD1 4.28Å; M184-F284 HydrophobicContact CE-CE2 4.26Å; M184-F284 HydrophobicContact CE-CZ 3.76Å; M184-F284 HydrophobicContact CG-CE2 3.55Å; M184-F284 HydrophobicContact CG-CZ 3.88Å; M184-F284 HydrophobicContact SD-CE2 3.4Å; M184-F284 WeakPolarHBondContact SD-CE2 3.31Å; M184-F284 HydrophobicContact SD-CZ 3.54Å; M184-F284 VanDerWaalsContact SD-CZ 3.54Å |
| 185 | A | 75.2 | Confident | 84.4 | Confident | 37 Ų | 37 | 65.2 Ų | 65.2 | 31% | 0.306 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -55.3 | -33.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | N181 F182 E187 F274 | N181-A185 PolarHBondContact O-N 3.47Å; F182-A185 PolarHBondContact O-N 2.9Å; A185-E187 VanDerWaalsContact C-N 3.25Å; A185-E187 PolarHBondContact O-N 2.82Å; A185-F274 HydrophobicContact CB-CD1 3.63Å; A185-F274 HydrophobicContact CB-CE1 4.31Å |
| 186 | S | 78.2 | Confident | 84.4 | Confident | 80 Ų | 80 | 61 Ų | 61 | 56% | 0.559 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -69.5 | -20.8 | -175.5 | -58.5 | 0 | 0 | 0 | 0 | 113.7 | F182 I183 M184 | F182-S186 PolarHBondContact O-N 2.93Å; F182-S186 VanDerWaalsContact O-N 3.16Å; F182-S186 PolarHBondContact O-OG 3.48Å; I183-S186 PolarHBondContact O-N 3Å; M184-S186 PolarHBondContact O-N 3.32Å; M184-S186 VanDerWaalsContact O-N 3.1Å |
| 187 | E | 76.3 | Confident | 84.5 | Confident | 56 Ų | 56 | 63 Ų | 63 | 26% | 0.262 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -100.2 | -3 | -175.3 | -65.1 | -171.9 | 139.1 | 0 | 0 | 113.4 | M184 A185 K189 Y276 G277 L280 | M184-E187 PolarHBondContact O-N 3.45Å; A185-E187 VanDerWaalsContact C-N 3.25Å; A185-E187 PolarHBondContact O-N 2.82Å; E187-K189 PolarHBondContact O-N 3.32Å; E187-Y276 WeakPolarHBondContact CB-O 3.42Å; E187-G277 VanDerWaalsContact OE2-C 3.29Å; E187-G277 WeakPolarHBondContact OE2-CA 3.28Å; E187-G277 PolarHBondContact OE2-N 3.21Å; E187-L280 WeakPolarHBondContact OE2-CD1 3.38Å; E187-L280 VanDerWaalsContact OE2-CG 3.28Å; E187-L280 WeakPolarHBondContact OE2-CG 3.39Å |
| 188 | I | 78.6 | Confident | 84.9 | Confident | 24 Ų | 24 | 69 Ų | 69 | 12% | 0.123 | 35% | 0.353 | C | S | . | . | trans | -68.2 | 122.6 | 178.8 | -55.5 | -177.6 | 0 | 0 | 0 | 111.5 | L190 V193 F269 A275 | I188-L190 PolarHBondContact O-N 2.96Å; I188-V193 HydrophobicContact CG2-CG2 3.45Å; I188-V193 VanDerWaalsContact CG2-CG2 3.45Å; I188-F269 HydrophobicContact CD1-CB 4.15Å; I188-F269 HydrophobicContact CD1-CD2 3.21Å; I188-F269 HydrophobicContact CD1-CE2 3.86Å; I188-F269 HydrophobicContact CD1-CG 3.96Å; I188-A275 HydrophobicContact CD1-CB 3.63Å; I188-A275 VanDerWaalsContact CD1-N 3.33Å; I188-A275 HydrophobicContact CG1-CB 3.69Å; I188-A275 WeakPolarHBondContact CG1-O 3.38Å; I188-A275 PolarHBondContact N-O 2.85Å | ||
| 189 | K | 85.1 | Confident | 85.1 | Confident | 134 Ų | 134 | 74.4 Ų | 74.4 | 58% | 0.583 | 36% | 0.361 | S | S | * | . | trans | -80.1 | 103.6 | 163.4 | -64.9 | -174.3 | 178.9 | -168.8 | 0 | 110.2 | E187 E191 V192 V193 | E187-K189 PolarHBondContact O-N 3.32Å; K189-E191 HydrophobicContact CB-CG 3.96Å; K189-E191 PolarHBondContact O-N 3Å; K189-E191 VanDerWaalsContact O-N 3.12Å; K189-V192 HydrophobicContact CB-CB 4.26Å; K189-V192 HydrophobicContact CB-CG2 3.8Å; K189-V192 HydrophobicContact CD-CG2 4.25Å; K189-V192 WeakPolarHBondContact O-CB 3.3Å; K189-V192 PolarHBondContact O-N 2.85Å; K189-V193 PolarHBondContact O-N 3.46Å | ||
| 190 | L | 87 | Confident | 85.2 | Confident | 122 Ų | 122 | 74.8 Ų | 74.8 | 64% | 0.639 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -55.6 | -30.5 | 178.7 | -67.2 | 176.1 | 0 | 0 | 0 | 113 | I188 V192 V193 W194 F269 | I188-L190 PolarHBondContact O-N 2.96Å; L190-V192 PolarHBondContact O-N 2.98Å; L190-V193 PolarHBondContact O-N 3.17Å; L190-W194 VanDerWaalsContact O-CB 3.28Å; L190-W194 WeakPolarHBondContact O-CB 3.43Å; L190-W194 PolarHBondContact O-N 3.25Å; L190-F269 HydrophobicContact CD2-CZ 4.48Å |
| 191 | E | 90.7 | Very high | 85.8 | Confident | 141 Ų | 141 | 80 Ų | 80 | 66% | 0.659 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -60.9 | -39.3 | 173.7 | 54.5 | 175.6 | -170.6 | 0 | 0 | 113.4 | K189 W194 S195 | K189-E191 HydrophobicContact CB-CG 3.96Å; K189-E191 PolarHBondContact O-N 3Å; K189-E191 VanDerWaalsContact O-N 3.12Å; E191-W194 PolarHBondContact O-N 2.82Å; E191-S195 WeakPolarHBondContact O-CB 3.2Å; E191-S195 PolarHBondContact O-N 3.47Å |
| 192 | V | 88.7 | Confident | 86.5 | Confident | 36 Ų | 36 | 79.7 Ų | 79.7 | 22% | 0.218 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -70.8 | -47.5 | 179.7 | 176.8 | 0 | 0 | 0 | 0 | 109.3 | K189 L190 W194 S195 V196 D262 | K189-V192 HydrophobicContact CB-CB 4.26Å; K189-V192 HydrophobicContact CB-CG2 3.8Å; K189-V192 HydrophobicContact CD-CG2 4.25Å; K189-V192 WeakPolarHBondContact O-CB 3.3Å; K189-V192 PolarHBondContact O-N 2.85Å; L190-V192 PolarHBondContact O-N 2.98Å; V192-W194 VanDerWaalsContact C-N 3.29Å; V192-W194 PolarHBondContact O-N 2.85Å; V192-S195 WeakPolarHBondContact O-CB 3.32Å; V192-S195 PolarHBondContact O-N 3.09Å; V192-S195 PolarHBondContact O-OG 3.22Å; V192-V196 WeakPolarHBondContact O-CG2 3.19Å; V192-V196 PolarHBondContact O-N 3.33Å; V192-D262 HydrophobicContact CG1-CB 3.66Å |
| 193 | V | 88.8 | Confident | 87 | Confident | 6 Ų | 6 | 73.4 Ų | 73.4 | 4% | 0.036 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -54.4 | -48.2 | 174.6 | 172 | 0 | 0 | 0 | 0 | 110.6 | I188 K189 L190 S195 V196 I197 T266 F269 | I188-V193 HydrophobicContact CG2-CG2 3.45Å; I188-V193 VanDerWaalsContact CG2-CG2 3.45Å; K189-V193 PolarHBondContact O-N 3.46Å; L190-V193 PolarHBondContact O-N 3.17Å; V193-S195 VanDerWaalsContact C-N 3.33Å; V193-S195 PolarHBondContact O-N 3.35Å; V193-V196 PolarHBondContact O-N 3.21Å; V193-I197 HydrophobicContact CG1-CD1 3.71Å; V193-I197 HydrophobicContact CG1-CG1 4.43Å; V193-I197 WeakPolarHBondContact O-CG1 3.35Å; V193-I197 PolarHBondContact O-N 3.48Å; V193-T266 HydrophobicContact CG1-CG2 4.23Å; V193-F269 HydrophobicContact CG1-CD1 3.55Å; V193-F269 HydrophobicContact CG1-CE1 3.76Å; V193-F269 HydrophobicContact CG1-CG 4.48Å; V193-F269 HydrophobicContact CG2-CD1 4.3Å; V193-F269 HydrophobicContact CG2-CG 4.48Å |
| 194 | W | 92.2 | Very high | 87.5 | Confident | 158 Ų | 158 | 73.7 Ų | 73.7 | 60% | 0.598 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.3 | -39.1 | 177.6 | -171.8 | -118.4 | 0 | 0 | 0 | 112.7 | L190 E191 V192 V196 I197 K198 | L190-W194 VanDerWaalsContact O-CB 3.28Å; L190-W194 WeakPolarHBondContact O-CB 3.43Å; L190-W194 PolarHBondContact O-N 3.25Å; E191-W194 PolarHBondContact O-N 2.82Å; V192-W194 VanDerWaalsContact C-N 3.29Å; V192-W194 PolarHBondContact O-N 2.85Å; W194-V196 VanDerWaalsContact C-N 3.29Å; W194-V196 PolarHBondContact O-N 2.84Å; W194-I197 PolarHBondContact O-N 2.83Å; W194-K198 WeakPolarHBondContact O-CG 3.47Å; W194-K198 PolarHBondContact O-N 3.39Å; W194-K198 VanDerWaalsContact O-N 3.15Å |
| 195 | S | 93.7 | Very high | 88.3 | Confident | 61 Ų | 61 | 74 Ų | 74 | 43% | 0.427 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.3 | -34.1 | 177.7 | 82 | 0 | 0 | 0 | 0 | 113 | E191 V192 V193 | E191-S195 WeakPolarHBondContact O-CB 3.2Å; E191-S195 PolarHBondContact O-N 3.47Å; V192-S195 WeakPolarHBondContact O-CB 3.32Å; V192-S195 PolarHBondContact O-N 3.09Å; V192-S195 PolarHBondContact O-OG 3.22Å; V193-S195 VanDerWaalsContact C-N 3.33Å; V193-S195 PolarHBondContact O-N 3.35Å |
| 196 | V | 91.8 | Very high | 89.1 | Confident | 18 Ų | 18 | 72.3 Ų | 72.3 | 11% | 0.109 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -78.6 | -42 | 178.3 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | V192 V193 W194 K198 R199 P203 D262 L263 T266 | V192-V196 WeakPolarHBondContact O-CG2 3.19Å; V192-V196 PolarHBondContact O-N 3.33Å; V193-V196 PolarHBondContact O-N 3.21Å; W194-V196 VanDerWaalsContact C-N 3.29Å; W194-V196 PolarHBondContact O-N 2.84Å; V196-K198 PolarHBondContact O-N 3.1Å; V196-R199 CarbonylContact O-C 3.44Å; V196-R199 WeakPolarHBondContact O-CA 3.35Å; V196-R199 PolarHBondContact O-N 3.33Å; V196-P203 HydrophobicContact CG1-CG 3.67Å; V196-D262 HydrophobicContact CG2-CB 3.89Å; V196-L263 HydrophobicContact CG1-CD1 3.79Å; V196-T266 HydrophobicContact CB-CG2 4Å; V196-T266 WeakPolarHBondContact CB-OG1 3.27Å; V196-T266 HydrophobicContact CG1-CG2 3.71Å |
| 197 | I | 91.1 | Very high | 89.5 | Confident | 61 Ų | 61 | 73.4 Ų | 73.4 | 31% | 0.313 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.2 | -34.8 | 176.3 | -71.2 | 171.9 | 0 | 0 | 0 | 111.5 | V193 W194 R199 T266 L270 | V193-I197 HydrophobicContact CG1-CD1 3.71Å; V193-I197 HydrophobicContact CG1-CG1 4.43Å; V193-I197 WeakPolarHBondContact O-CG1 3.35Å; V193-I197 PolarHBondContact O-N 3.48Å; W194-I197 PolarHBondContact O-N 2.83Å; I197-R199 PolarHBondContact O-N 3.45Å; I197-R199 VanDerWaalsContact O-N 3.1Å; I197-T266 HydrophobicContact CG1-CG2 3.98Å; I197-L270 HydrophobicContact CD1-CD2 4.22Å; I197-L270 HydrophobicContact CG1-CD1 4.46Å |
| 198 | K | 93.9 | Very high | 90.2 | Very high | 144 Ų | 144 | 75.6 Ų | 75.6 | 63% | 0.626 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -17.1 | 172.9 | -77.3 | 179.7 | 178.6 | 178.7 | 0 | 114.1 | W194 V196 P200 | W194-K198 WeakPolarHBondContact O-CG 3.47Å; W194-K198 PolarHBondContact O-N 3.39Å; W194-K198 VanDerWaalsContact O-N 3.15Å; V196-K198 PolarHBondContact O-N 3.1Å; K198-P200 VanDerWaalsContact C-CD 3.46Å; K198-P200 VanDerWaalsContact O-CD 3.26Å; K198-P200 WeakPolarHBondContact O-CD 3.21Å |
| 199 | R | 91.5 | Very high | 90.8 | Very high | 202 Ų | 202 | 74.5 Ų | 74.5 | 76% | 0.762 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -111.6 | 73.4 | 172.7 | -62.4 | -174.1 | -179 | -154.5 | 1.3 | 109 | V196 I197 I201 P203 | V196-R199 CarbonylContact O-C 3.44Å; V196-R199 WeakPolarHBondContact O-CA 3.35Å; V196-R199 PolarHBondContact O-N 3.33Å; I197-R199 PolarHBondContact O-N 3.45Å; I197-R199 VanDerWaalsContact O-N 3.1Å; R199-I201 PolarHBondContact O-N 2.99Å; R199-P203 WeakPolarHBondContact O-CD 3.45Å |
| 200 | P | 88.8 | Confident | 90.9 | Very high | 81 Ų | 81 | 68.2 Ų | 68.2 | 53% | 0.526 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -16.9 | -160.1 | 27.8 | -37.6 | 0 | 0 | 0 | 114.6 | K198 A202 P203 A204 | K198-P200 VanDerWaalsContact C-CD 3.46Å; K198-P200 VanDerWaalsContact O-CD 3.26Å; K198-P200 WeakPolarHBondContact O-CD 3.21Å; P200-A202 PolarHBondContact O-N 3.29Å; P200-P203 WeakPolarHBondContact O-CD 3.34Å; P200-A204 WeakPolarHBondContact O-CB 3.26Å; P200-A204 PolarHBondContact O-N 3.37Å |
| 201 | I | 93.5 | Very high | 90.9 | Very high | 111 Ų | 111 | 66.7 Ų | 66.7 | 57% | 0.569 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -58.6 | -52.2 | -173.8 | -57 | 173.1 | 0 | 0 | 0 | 111.1 | R199 I205 | R199-I201 PolarHBondContact O-N 2.99Å; I201-I205 HydrophobicContact CG2-CD1 4.03Å; I201-I205 WeakPolarHBondContact O-CD1 3.43Å; I201-I205 WeakPolarHBondContact O-CG1 3.42Å; I201-I205 PolarHBondContact O-N 2.86Å; I201-I205 VanDerWaalsContact O-N 3.13Å |
| 202 | A | 93.4 | Very high | 90.9 | Very high | 7 Ų | 7 | 62.7 Ų | 62.7 | 6% | 0.058 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70 | -46.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P200 A204 I205 G206 L263 I342 | P200-A202 PolarHBondContact O-N 3.29Å; A202-A204 VanDerWaalsContact C-N 3.34Å; A202-A204 PolarHBondContact O-N 3Å; A202-I205 PolarHBondContact O-N 3.48Å; A202-G206 PolarHBondContact O-N 3.33Å; A202-G206 VanDerWaalsContact O-N 3.14Å; A202-L263 HydrophobicContact CB-CD1 3.83Å; A202-L263 HydrophobicContact CB-CD2 3.64Å; A202-L263 HydrophobicContact CB-CG 4.4Å; A202-I342 HydrophobicContact CB-CD1 4.36Å |
| 203 | P | 91.7 | Very high | 91.1 | Very high | 8 Ų | 8 | 63 Ų | 63 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.8 | -39.3 | 173.1 | -25.8 | 36.1 | 0 | 0 | 0 | 113.6 | V196 R199 P200 I205 G206 F207 L263 L270 | V196-P203 HydrophobicContact CG1-CG 3.67Å; R199-P203 WeakPolarHBondContact O-CD 3.45Å; P200-P203 WeakPolarHBondContact O-CD 3.34Å; P203-I205 VanDerWaalsContact C-N 3.33Å; P203-I205 PolarHBondContact O-N 2.83Å; P203-G206 PolarHBondContact O-N 3.07Å; P203-F207 WeakPolarHBondContact O-CB 3.31Å; P203-F207 PolarHBondContact O-N 3.3Å; P203-L263 HydrophobicContact CB-CD1 4.49Å; P203-L263 HydrophobicContact CG-CD1 3.75Å; P203-L270 HydrophobicContact CB-CD1 4.28Å |
| 204 | A | 91.3 | Very high | 91.2 | Very high | 56 Ų | 56 | 62.7 Ų | 62.7 | 46% | 0.463 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65 | -37.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P200 A202 F208 | P200-A204 WeakPolarHBondContact O-CB 3.26Å; P200-A204 PolarHBondContact O-N 3.37Å; A202-A204 VanDerWaalsContact C-N 3.34Å; A202-A204 PolarHBondContact O-N 3Å; A204-F208 VanDerWaalsContact O-CB 3.31Å; A204-F208 WeakPolarHBondContact O-CB 3.39Å; A204-F208 PolarHBondContact O-N 3.34Å |
| 205 | I | 93.5 | Very high | 91 | Very high | 10 Ų | 10 | 56.4 Ų | 56.4 | 5% | 0.051 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63 | -48.5 | 173.6 | -64.8 | 164.4 | 0 | 0 | 0 | 110.1 | I201 A202 P203 F207 F208 C209 L328 L332 Q334 I342 | I201-I205 HydrophobicContact CG2-CD1 4.03Å; I201-I205 WeakPolarHBondContact O-CD1 3.43Å; I201-I205 WeakPolarHBondContact O-CG1 3.42Å; I201-I205 PolarHBondContact O-N 2.86Å; I201-I205 VanDerWaalsContact O-N 3.13Å; A202-I205 PolarHBondContact O-N 3.48Å; P203-I205 VanDerWaalsContact C-N 3.33Å; P203-I205 PolarHBondContact O-N 2.83Å; I205-F207 PolarHBondContact O-N 3.01Å; I205-F208 PolarHBondContact O-N 3.35Å; I205-C209 WeakPolarHBondContact O-CB 3.44Å; I205-C209 PolarHBondContact O-N 3.37Å; I205-C209 PolarHBondContact O-SG 3.42Å; I205-C209 VanDerWaalsContact O-SG 3.35Å; I205-L328 HydrophobicContact CG2-CD2 3.95Å; I205-L328 HydrophobicContact CG2-CG 4Å; I205-L332 HydrophobicContact CD1-CB 3.76Å; I205-L332 HydrophobicContact CD1-CD1 3.46Å; I205-L332 VanDerWaalsContact CD1-CD1 3.46Å; I205-L332 HydrophobicContact CD1-CG 4.26Å; I205-L332 HydrophobicContact CG1-CD1 3.47Å; I205-L332 VanDerWaalsContact CG1-CD1 3.47Å; I205-Q334 HydrophobicContact CD1-CG 3.78Å; I205-I342 HydrophobicContact CB-CD1 4.19Å; I205-I342 HydrophobicContact CG2-CD1 4.08Å; I205-I342 HydrophobicContact CG2-CG2 3.92Å |
| 206 | G | 90.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 58.6 Ų | 58.6 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.9 | -46 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A202 P203 F208 C209 Q210 | A202-G206 PolarHBondContact O-N 3.33Å; A202-G206 VanDerWaalsContact O-N 3.14Å; P203-G206 PolarHBondContact O-N 3.07Å; G206-F208 PolarHBondContact O-N 3.07Å; G206-C209 WeakPolarHBondContact O-CB 3.46Å; G206-C209 PolarHBondContact O-N 3.02Å; G206-Q210 PolarHBondContact O-N 3.5Å |
| 207 | F | 88 | Confident | 91.2 | Very high | 104 Ų | 104 | 58.9 Ų | 58.9 | 46% | 0.456 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 176.8 | -171.7 | -90.1 | 0 | 0 | 0 | 112 | P203 I205 C209 Q210 F211 | P203-F207 WeakPolarHBondContact O-CB 3.31Å; P203-F207 PolarHBondContact O-N 3.3Å; I205-F207 PolarHBondContact O-N 3.01Å; F207-C209 VanDerWaalsContact C-N 3.34Å; F207-C209 PolarHBondContact O-N 2.86Å; F207-Q210 PolarHBondContact O-N 2.87Å; F207-F211 HydrophobicContact CD1-CD2 4.03Å; F207-F211 AromaticContact CD2-CD2 3.52Å; F207-F211 HydrophobicContact CD2-CD2 3.52Å; F207-F211 AromaticContact CD2-CE2 3.48Å; F207-F211 HydrophobicContact CD2-CE2 3.48Å; F207-F211 VanDerWaalsContact CD2-CE2 3.48Å; F207-F211 HydrophobicContact CE1-CB 4.5Å; F207-F211 AromaticContact CE1-CD2 3.88Å; F207-F211 HydrophobicContact CE1-CD2 3.88Å; F207-F211 HydrophobicContact CE1-CG 4.45Å; F207-F211 AromaticContact CE2-CD2 3.36Å; F207-F211 HydrophobicContact CE2-CD2 3.36Å; F207-F211 AromaticContact CE2-CE2 3.23Å; F207-F211 HydrophobicContact CE2-CE2 3.23Å; F207-F211 HydrophobicContact CE2-CG 4.41Å; F207-F211 HydrophobicContact CE2-CZ 4.21Å; F207-F211 AromaticContact CG-CD2 3.85Å; F207-F211 HydrophobicContact CG-CD2 3.85Å; F207-F211 HydrophobicContact CG-CE2 4.27Å; F207-F211 AromaticContact CZ-CD2 3.54Å; F207-F211 HydrophobicContact CZ-CD2 3.54Å; F207-F211 AromaticContact CZ-CE2 3.85Å; F207-F211 HydrophobicContact CZ-CE2 3.85Å; F207-F211 HydrophobicContact CZ-CG 4.23Å; F207-F211 WeakPolarHBondContact O-CD2 3.48Å; F207-F211 PolarHBondContact O-N 3.35Å |
| 208 | F | 90.9 | Very high | 91.3 | Very high | 102 Ų | 102 | 56 Ų | 56 | 45% | 0.447 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 175 | 179.5 | -91.6 | 0 | 0 | 0 | 111.7 | A204 I205 G206 Q210 V212 L213 L328 | A204-F208 VanDerWaalsContact O-CB 3.31Å; A204-F208 WeakPolarHBondContact O-CB 3.39Å; A204-F208 PolarHBondContact O-N 3.34Å; I205-F208 PolarHBondContact O-N 3.35Å; G206-F208 PolarHBondContact O-N 3.07Å; F208-Q210 VanDerWaalsContact C-N 3.33Å; F208-Q210 PolarHBondContact O-N 3.42Å; F208-V212 HydrophobicContact CD2-CB 4.04Å; F208-V212 HydrophobicContact CD2-CG1 4.47Å; F208-V212 HydrophobicContact CD2-CG2 3.92Å; F208-V212 HydrophobicContact CE2-CB 3.89Å; F208-V212 HydrophobicContact CE2-CG1 3.82Å; F208-V212 HydrophobicContact CE2-CG2 4.01Å; F208-V212 HydrophobicContact CG-CB 4.44Å; F208-V212 HydrophobicContact CZ-CB 4.15Å; F208-V212 HydrophobicContact CZ-CG1 3.87Å; F208-V212 WeakPolarHBondContact O-CA 3.27Å; F208-V212 VanDerWaalsContact O-CB 3.27Å; F208-V212 WeakPolarHBondContact O-CB 3.41Å; F208-V212 PolarHBondContact O-N 3.26Å; F208-L213 PolarHBondContact O-N 3.01Å; F208-L213 VanDerWaalsContact O-N 3.1Å; F208-L328 HydrophobicContact CD1-CD2 3.74Å; F208-L328 HydrophobicContact CE1-CD2 4.13Å |
| 209 | C | 90.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -59.4 | -44.7 | 175.8 | -77.5 | 0 | 0 | 0 | 0 | 111.9 | I205 G206 F207 L213 M214 T346 | I205-C209 WeakPolarHBondContact O-CB 3.44Å; I205-C209 PolarHBondContact O-N 3.37Å; I205-C209 PolarHBondContact O-SG 3.42Å; I205-C209 VanDerWaalsContact O-SG 3.35Å; G206-C209 WeakPolarHBondContact O-CB 3.46Å; G206-C209 PolarHBondContact O-N 3.02Å; F207-C209 VanDerWaalsContact C-N 3.34Å; F207-C209 PolarHBondContact O-N 2.86Å; C209-L213 HydrophobicContact CB-CD2 4.47Å; C209-L213 WeakPolarHBondContact O-CB 3.24Å; C209-L213 PolarHBondContact O-N 3.29Å; C209-M214 WeakPolarHBondContact O-CB 3.32Å; C209-M214 PolarHBondContact O-N 3.41Å; C209-T346 HydrophobicContact CB-CG2 3.69Å; C209-T346 WeakPolarHBondContact CB-OG1 3.36Å |
| 210 | Q | 87.4 | Confident | 91.6 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -74.3 | -39.1 | -174.9 | -166.1 | 58.1 | 42.2 | 0 | 0 | 113.3 | G206 F207 F208 P215 S244 P245 E345 Q349 | G206-Q210 PolarHBondContact O-N 3.5Å; F207-Q210 PolarHBondContact O-N 2.87Å; F208-Q210 VanDerWaalsContact C-N 3.33Å; F208-Q210 PolarHBondContact O-N 3.42Å; Q210-P215 VanDerWaalsContact O-CD 3.31Å; Q210-P215 WeakPolarHBondContact O-CD 3.47Å; Q210-S244 PolarHBondContact NE2-O 2.97Å; Q210-P245 HydrophobicContact CG-CB 4.43Å; Q210-P245 VanDerWaalsContact NE2-CA 3.3Å; Q210-E345 PolarHBondContact OE1-O 3.32Å; Q210-Q349 VanDerWaalsContact NE2-OE1 3.14Å |
| 211 | F | 87.5 | Confident | 91.9 | Very high | 91 Ų | 91 | 43.6 Ų | 43.6 | 40% | 0.399 | 23% | 0.232 | S | C | . | . | I | π-helix | trans | -102.9 | -10 | -172.7 | -67.1 | -73.2 | 0 | 0 | 0 | 114.5 | F207 | F207-F211 HydrophobicContact CD1-CD2 4.03Å; F207-F211 AromaticContact CD2-CD2 3.52Å; F207-F211 HydrophobicContact CD2-CD2 3.52Å; F207-F211 AromaticContact CD2-CE2 3.48Å; F207-F211 HydrophobicContact CD2-CE2 3.48Å; F207-F211 VanDerWaalsContact CD2-CE2 3.48Å; F207-F211 HydrophobicContact CE1-CB 4.5Å; F207-F211 AromaticContact CE1-CD2 3.88Å; F207-F211 HydrophobicContact CE1-CD2 3.88Å; F207-F211 HydrophobicContact CE1-CG 4.45Å; F207-F211 AromaticContact CE2-CD2 3.36Å; F207-F211 HydrophobicContact CE2-CD2 3.36Å; F207-F211 AromaticContact CE2-CE2 3.23Å; F207-F211 HydrophobicContact CE2-CE2 3.23Å; F207-F211 HydrophobicContact CE2-CG 4.41Å; F207-F211 HydrophobicContact CE2-CZ 4.21Å; F207-F211 AromaticContact CG-CD2 3.85Å; F207-F211 HydrophobicContact CG-CD2 3.85Å; F207-F211 HydrophobicContact CG-CE2 4.27Å; F207-F211 AromaticContact CZ-CD2 3.54Å; F207-F211 HydrophobicContact CZ-CD2 3.54Å; F207-F211 AromaticContact CZ-CE2 3.85Å; F207-F211 HydrophobicContact CZ-CE2 3.85Å; F207-F211 HydrophobicContact CZ-CG 4.23Å; F207-F211 WeakPolarHBondContact O-CD2 3.48Å; F207-F211 PolarHBondContact O-N 3.35Å |
| 212 | V | 89.3 | Confident | 91.9 | Very high | 57 Ų | 57 | 38.5 Ų | 38.5 | 35% | 0.345 | 21% | 0.207 | S | C | . | . | I | π-helix | trans | -123.4 | -58.4 | 177.5 | -175.1 | 0 | 0 | 0 | 0 | 110.9 | F208 L216 | F208-V212 HydrophobicContact CD2-CB 4.04Å; F208-V212 HydrophobicContact CD2-CG1 4.47Å; F208-V212 HydrophobicContact CD2-CG2 3.92Å; F208-V212 HydrophobicContact CE2-CB 3.89Å; F208-V212 HydrophobicContact CE2-CG1 3.82Å; F208-V212 HydrophobicContact CE2-CG2 4.01Å; F208-V212 HydrophobicContact CG-CB 4.44Å; F208-V212 HydrophobicContact CZ-CB 4.15Å; F208-V212 HydrophobicContact CZ-CG1 3.87Å; F208-V212 WeakPolarHBondContact O-CA 3.27Å; F208-V212 VanDerWaalsContact O-CB 3.27Å; F208-V212 WeakPolarHBondContact O-CB 3.41Å; F208-V212 PolarHBondContact O-N 3.26Å; V212-L216 HydrophobicContact CG1-CD1 3.91Å; V212-L216 WeakPolarHBondContact O-CB 3.25Å; V212-L216 WeakPolarHBondContact O-CG 3.43Å; V212-L216 PolarHBondContact O-N 2.95Å; V212-L216 VanDerWaalsContact O-N 3.15Å |
| 213 | L | 92.5 | Very high | 92 | Very high | 42 Ų | 42 | 42 Ų | 42 | 22% | 0.22 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -64.4 | -48.1 | -173.2 | -174.5 | 64.7 | 0 | 0 | 0 | 112.3 | F208 C209 L216 I217 T346 | F208-L213 PolarHBondContact O-N 3.01Å; F208-L213 VanDerWaalsContact O-N 3.1Å; C209-L213 HydrophobicContact CB-CD2 4.47Å; C209-L213 WeakPolarHBondContact O-CB 3.24Å; C209-L213 PolarHBondContact O-N 3.29Å; L213-L216 PolarHBondContact O-N 3.29Å; L213-I217 HydrophobicContact CD1-CD1 4.13Å; L213-I217 HydrophobicContact CD1-CG1 4.46Å; L213-I217 HydrophobicContact CD2-CD1 4.43Å; L213-I217 HydrophobicContact CG-CD1 3.79Å; L213-I217 HydrophobicContact CG-CG1 4.47Å; L213-I217 VanDerWaalsContact O-CG1 3.3Å; L213-I217 WeakPolarHBondContact O-CG1 3.28Å; L213-I217 PolarHBondContact O-N 3.13Å; L213-T346 HydrophobicContact CD2-CG2 4.49Å |
| 214 | M | 91.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.3 | -44.6 | -177.4 | -82.7 | -61.3 | -57.7 | 0 | 0 | 114 | C209 L216 I217 S218 G242 V317 G321 T346 Q349 | C209-M214 WeakPolarHBondContact O-CB 3.32Å; C209-M214 PolarHBondContact O-N 3.41Å; M214-L216 VanDerWaalsContact C-N 3.29Å; M214-L216 PolarHBondContact O-N 3.38Å; M214-I217 PolarHBondContact O-N 3.33Å; M214-I217 HydrophobicContact SD-CD1 4.44Å; M214-S218 WeakPolarHBondContact O-CB 3.15Å; M214-S218 PolarHBondContact O-N 2.99Å; M214-S218 PolarHBondContact O-OG 2.73Å; M214-G242 WeakPolarHBondContact CB-O 3.44Å; M214-V317 HydrophobicContact CE-CG1 3.71Å; M214-G321 WeakPolarHBondContact SD-CA 3.44Å; M214-T346 HydrophobicContact CG-CG2 3.71Å; M214-T346 WeakPolarHBondContact CG-O 3.4Å; M214-T346 HydrophobicContact SD-CG2 4.09Å; M214-Q349 VanDerWaalsContact CE-CD 3.48Å; M214-Q349 HydrophobicContact CE-CG 4.04Å; M214-Q349 VanDerWaalsContact CE-NE2 3.33Å |
| 215 | P | 89.1 | Confident | 92.3 | Very high | 26 Ų | 26 | 46 Ų | 46 | 17% | 0.169 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.8 | -40.6 | 169.7 | -30.1 | 37.4 | 0 | 0 | 0 | 113.1 | Q210 S218 F219 F239 | Q210-P215 VanDerWaalsContact O-CD 3.31Å; Q210-P215 WeakPolarHBondContact O-CD 3.47Å; P215-S218 WeakPolarHBondContact CA-OG 3.43Å; P215-S218 PolarHBondContact O-OG 3.32Å; P215-S218 VanDerWaalsContact O-OG 3.1Å; P215-F219 WeakPolarHBondContact O-CB 3.2Å; P215-F219 PolarHBondContact O-N 3.4Å; P215-F239 HydrophobicContact CB-CE2 4.39Å |
| 216 | L | 94.1 | Very high | 92.3 | Very high | 107 Ų | 107 | 45.6 Ų | 45.6 | 56% | 0.56 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -67.3 | -43.8 | 177.1 | -71.5 | 173.5 | 0 | 0 | 0 | 112.5 | V212 L213 M214 A220 | V212-L216 HydrophobicContact CG1-CD1 3.91Å; V212-L216 WeakPolarHBondContact O-CB 3.25Å; V212-L216 WeakPolarHBondContact O-CG 3.43Å; V212-L216 PolarHBondContact O-N 2.95Å; V212-L216 VanDerWaalsContact O-N 3.15Å; L213-L216 PolarHBondContact O-N 3.29Å; M214-L216 VanDerWaalsContact C-N 3.29Å; M214-L216 PolarHBondContact O-N 3.38Å; L216-A220 VanDerWaalsContact O-CB 3.3Å; L216-A220 WeakPolarHBondContact O-CB 3.08Å; L216-A220 PolarHBondContact O-N 2.67Å |
| 217 | I | 95.3 | Very high | 92.3 | Very high | 24 Ų | 24 | 49 Ų | 49 | 12% | 0.123 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.5 | -51.1 | 176.3 | -72.8 | 169.1 | 0 | 0 | 0 | 110.1 | L213 M214 F219 A220 V221 L320 | L213-I217 HydrophobicContact CD1-CD1 4.13Å; L213-I217 HydrophobicContact CD1-CG1 4.46Å; L213-I217 HydrophobicContact CD2-CD1 4.43Å; L213-I217 HydrophobicContact CG-CD1 3.79Å; L213-I217 HydrophobicContact CG-CG1 4.47Å; L213-I217 VanDerWaalsContact O-CG1 3.3Å; L213-I217 WeakPolarHBondContact O-CG1 3.28Å; L213-I217 PolarHBondContact O-N 3.13Å; M214-I217 PolarHBondContact O-N 3.33Å; M214-I217 HydrophobicContact SD-CD1 4.44Å; I217-F219 PolarHBondContact O-N 2.94Å; I217-A220 PolarHBondContact O-N 2.97Å; I217-V221 VanDerWaalsContact O-CG2 3.31Å; I217-V221 WeakPolarHBondContact O-CG2 3.36Å; I217-V221 PolarHBondContact O-N 3.47Å; I217-L320 HydrophobicContact CD1-CB 4.17Å; I217-L320 HydrophobicContact CG2-CB 3.76Å; I217-L320 HydrophobicContact CG2-CD1 3.99Å |
| 218 | S | 93.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.7 | -37.1 | -176.9 | 61.9 | 0 | 0 | 0 | 0 | 112.5 | M214 P215 V221 A222 | M214-S218 WeakPolarHBondContact O-CB 3.15Å; M214-S218 PolarHBondContact O-N 2.99Å; M214-S218 PolarHBondContact O-OG 2.73Å; P215-S218 WeakPolarHBondContact CA-OG 3.43Å; P215-S218 PolarHBondContact O-OG 3.32Å; P215-S218 VanDerWaalsContact O-OG 3.1Å; S218-V221 PolarHBondContact O-N 3.34Å; S218-A222 WeakPolarHBondContact O-CB 3.32Å; S218-A222 PolarHBondContact O-N 2.96Å |
| 219 | F | 93.6 | Very high | 92.4 | Very high | 104 Ų | 104 | 49.6 Ų | 49.6 | 46% | 0.456 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 171.8 | -178 | -103.7 | 0 | 0 | 0 | 112.2 | P215 I217 V221 A222 Q223 F239 | P215-F219 WeakPolarHBondContact O-CB 3.2Å; P215-F219 PolarHBondContact O-N 3.4Å; I217-F219 PolarHBondContact O-N 2.94Å; F219-V221 VanDerWaalsContact C-N 3.34Å; F219-V221 PolarHBondContact O-N 3.34Å; F219-A222 WeakPolarHBondContact O-CB 3.34Å; F219-A222 PolarHBondContact O-N 2.99Å; F219-A222 VanDerWaalsContact O-N 3.15Å; F219-Q223 HydrophobicContact CD1-CG 4.06Å; F219-Q223 HydrophobicContact CE1-CG 3.77Å; F219-Q223 HydrophobicContact CE2-CG 4.24Å; F219-Q223 HydrophobicContact CG-CG 4.44Å; F219-Q223 HydrophobicContact CZ-CG 3.89Å; F219-Q223 VanDerWaalsContact O-CG 3.29Å; F219-Q223 WeakPolarHBondContact O-CG 3.47Å; F219-Q223 PolarHBondContact O-N 2.92Å; F219-F239 HydrophobicContact CB-CD2 3.96Å; F219-F239 HydrophobicContact CB-CE2 4.06Å; F219-F239 HydrophobicContact CD2-CD2 4.47Å |
| 220 | A | 96.8 | Very high | 92.2 | Very high | 45 Ų | 45 | 52.3 Ų | 52.3 | 37% | 0.372 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | L216 I217 A222 Q223 I224 | L216-A220 VanDerWaalsContact O-CB 3.3Å; L216-A220 WeakPolarHBondContact O-CB 3.08Å; L216-A220 PolarHBondContact O-N 2.67Å; I217-A220 PolarHBondContact O-N 2.97Å; A220-A222 VanDerWaalsContact C-N 3.33Å; A220-A222 PolarHBondContact O-N 3.19Å; A220-Q223 PolarHBondContact O-N 3.21Å; A220-I224 VanDerWaalsContact O-CG1 3.31Å; A220-I224 WeakPolarHBondContact O-CG1 3.48Å; A220-I224 PolarHBondContact O-N 2.97Å |
| 221 | V | 96.4 | Very high | 92.2 | Very high | 17 Ų | 17 | 54.7 Ų | 54.7 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 173.6 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | I217 S218 F219 Q223 I224 A225 V238 A313 C316 V317 L320 | I217-V221 VanDerWaalsContact O-CG2 3.31Å; I217-V221 WeakPolarHBondContact O-CG2 3.36Å; I217-V221 PolarHBondContact O-N 3.47Å; S218-V221 PolarHBondContact O-N 3.34Å; F219-V221 VanDerWaalsContact C-N 3.34Å; F219-V221 PolarHBondContact O-N 3.34Å; V221-Q223 PolarHBondContact O-N 2.97Å; V221-I224 PolarHBondContact O-N 2.92Å; V221-A225 WeakPolarHBondContact O-CB 3.24Å; V221-A225 PolarHBondContact O-N 2.68Å; V221-V238 HydrophobicContact CG1-CG2 4.15Å; V221-A313 HydrophobicContact CG1-CB 3.68Å; V221-C316 HydrophobicContact CG2-CB 4.17Å; V221-V317 HydrophobicContact CB-CG2 4.43Å; V221-V317 HydrophobicContact CG1-CG2 4.29Å; V221-V317 HydrophobicContact CG2-CG2 4.41Å; V221-L320 HydrophobicContact CG2-CD1 4.4Å |
| 222 | A | 93.8 | Very high | 92.4 | Very high | 5 Ų | 5 | 54.5 Ų | 54.5 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61 | -45.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S218 F219 A220 I224 F226 I227 V238 | S218-A222 WeakPolarHBondContact O-CB 3.32Å; S218-A222 PolarHBondContact O-N 2.96Å; F219-A222 WeakPolarHBondContact O-CB 3.34Å; F219-A222 PolarHBondContact O-N 2.99Å; F219-A222 VanDerWaalsContact O-N 3.15Å; A220-A222 VanDerWaalsContact C-N 3.33Å; A220-A222 PolarHBondContact O-N 3.19Å; A222-I224 VanDerWaalsContact C-N 3.31Å; A222-I224 PolarHBondContact O-N 3.16Å; A222-F226 PolarHBondContact O-N 3.35Å; A222-I227 PolarHBondContact O-N 3.22Å; A222-V238 HydrophobicContact CB-CG1 3.7Å |
| 223 | Q | 94.8 | Very high | 92.5 | Very high | 79 Ų | 79 | 52.2 Ų | 52.2 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.4 | -31.5 | 179.9 | -70.9 | -70.6 | 17.7 | 0 | 0 | 113.1 | F219 A220 V221 P228 | F219-Q223 HydrophobicContact CD1-CG 4.06Å; F219-Q223 HydrophobicContact CE1-CG 3.77Å; F219-Q223 HydrophobicContact CE2-CG 4.24Å; F219-Q223 HydrophobicContact CG-CG 4.44Å; F219-Q223 HydrophobicContact CZ-CG 3.89Å; F219-Q223 VanDerWaalsContact O-CG 3.29Å; F219-Q223 WeakPolarHBondContact O-CG 3.47Å; F219-Q223 PolarHBondContact O-N 2.92Å; A220-Q223 PolarHBondContact O-N 3.21Å; V221-Q223 PolarHBondContact O-N 2.97Å; Q223-P228 WeakPolarHBondContact O-CD 3.3Å; Q223-P228 VanDerWaalsContact O-CG 3.3Å; Q223-P228 WeakPolarHBondContact O-CG 3.13Å |
| 224 | I | 95.2 | Very high | 92.6 | Very high | 132 Ų | 132 | 50.4 Ų | 50.4 | 68% | 0.677 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -85.5 | -43.4 | 178.9 | -65 | 166.7 | 0 | 0 | 0 | 111 | A220 V221 A222 | A220-I224 VanDerWaalsContact O-CG1 3.31Å; A220-I224 WeakPolarHBondContact O-CG1 3.48Å; A220-I224 PolarHBondContact O-N 2.97Å; V221-I224 PolarHBondContact O-N 2.92Å; A222-I224 VanDerWaalsContact C-N 3.31Å; A222-I224 PolarHBondContact O-N 3.16Å |
| 225 | A | 94.2 | Very high | 92.6 | Very high | 18 Ų | 18 | 50.6 Ų | 50.6 | 15% | 0.149 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -87.7 | -29.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V221 Y229 A313 | V221-A225 WeakPolarHBondContact O-CB 3.24Å; V221-A225 PolarHBondContact O-N 2.68Å; A225-Y229 WeakPolarHBondContact O-CD2 3.35Å; A225-A313 HydrophobicContact CB-CB 3.9Å |
| 226 | F | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | -47 | -165.2 | -61 | -58.4 | 0 | 0 | 0 | 115 | A222 Y229 G230 M231 M234 V238 A310 A313 M373 | A222-F226 PolarHBondContact O-N 3.35Å; F226-Y229 CarbonylContact O-C 3.49Å; F226-Y229 PolarHBondContact O-N 3.45Å; F226-G230 PolarHBondContact O-N 3.47Å; F226-M231 HydrophobicContact CB-CB 4.05Å; F226-M231 HydrophobicContact CD1-CB 4.03Å; F226-M231 HydrophobicContact CD1-CE 4.03Å; F226-M231 HydrophobicContact CD1-SD 4.33Å; F226-M231 HydrophobicContact CE1-CE 4.18Å; F226-M231 HydrophobicContact CG-CB 4.47Å; F226-M231 PolarHBondContact O-N 2.87Å; F226-M231 VanDerWaalsContact O-N 3.1Å; F226-M234 HydrophobicContact CD1-CB 3.61Å; F226-M234 HydrophobicContact CD2-CB 4.25Å; F226-M234 HydrophobicContact CE1-CB 3.65Å; F226-M234 HydrophobicContact CE1-CG 4.42Å; F226-M234 HydrophobicContact CE2-CB 4.27Å; F226-M234 HydrophobicContact CG-CB 3.92Å; F226-M234 HydrophobicContact CZ-CB 3.98Å; F226-V238 HydrophobicContact CD2-CG1 3.88Å; F226-V238 HydrophobicContact CE2-CB 4.09Å; F226-V238 HydrophobicContact CE2-CG1 3.69Å; F226-A310 HydrophobicContact CE1-CB 4.34Å; F226-A310 HydrophobicContact CZ-CB 4.37Å; F226-A313 HydrophobicContact CE2-CB 3.73Å; F226-A313 HydrophobicContact CZ-CB 3.7Å; F226-M373 HydrophobicContact CE2-SD 4.01Å; F226-M373 HydrophobicContact CZ-CE 4.03Å; F226-M373 HydrophobicContact CZ-CG 4.48Å; F226-M373 HydrophobicContact CZ-SD 3.57Å; F226-M373 VanDerWaalsContact CZ-SD 3.57Å |
| 227 | I | 89.9 | Confident | 92.7 | Very high | 73 Ų | 73 | 46.6 Ų | 46.6 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -58.1 | -44.1 | -174.5 | -58.3 | -56.8 | 0 | 0 | 0 | 113.3 | A222 Y229 G230 T232 | A222-I227 PolarHBondContact O-N 3.22Å; I227-Y229 PolarHBondContact O-N 3.28Å; I227-Y229 VanDerWaalsContact O-N 3.08Å; I227-G230 PolarHBondContact O-N 3.22Å; I227-G230 VanDerWaalsContact O-N 3.1Å; I227-T232 HydrophobicContact CD1-CG2 4.17Å |
| 228 | P | 91.6 | Very high | 92.6 | Very high | 92 Ų | 92 | 45.5 Ų | 45.5 | 60% | 0.597 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -64.3 | -17.4 | 178.8 | -22.8 | 35.3 | 0 | 0 | 0 | 113.7 | Q223 | Q223-P228 WeakPolarHBondContact O-CD 3.3Å; Q223-P228 VanDerWaalsContact O-CG 3.3Å; Q223-P228 WeakPolarHBondContact O-CG 3.13Å |
| 229 | Y | 88.9 | Confident | 92.6 | Very high | 127 Ų | 127 | 49 Ų | 49 | 50% | 0.498 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -106 | 9 | -178.4 | -55.5 | -76.1 | 0 | 0 | 0 | 112.7 | A225 F226 I227 M231 | A225-Y229 WeakPolarHBondContact O-CD2 3.35Å; F226-Y229 CarbonylContact O-C 3.49Å; F226-Y229 PolarHBondContact O-N 3.45Å; I227-Y229 PolarHBondContact O-N 3.28Å; I227-Y229 VanDerWaalsContact O-N 3.08Å; Y229-M231 PolarHBondContact O-N 2.91Å |
| 230 | G | 86.4 | Confident | 92.4 | Very high | 58 Ų | 58 | 44.4 Ų | 44.4 | 60% | 0.598 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 14.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | F226 I227 T232 | F226-G230 PolarHBondContact O-N 3.47Å; I227-G230 PolarHBondContact O-N 3.22Å; I227-G230 VanDerWaalsContact O-N 3.1Å; G230-T232 PolarHBondContact O-N 2.92Å; G230-T232 VanDerWaalsContact O-N 3.12Å |
| 231 | M | 89 | Confident | 92.1 | Very high | 52 Ų | 52 | 42.3 Ų | 42.3 | 26% | 0.256 | 24% | 0.236 | S | C | . | . | trans | -88.6 | 50.9 | -178.4 | -65.3 | 178.8 | 61.5 | 0 | 0 | 111.7 | F226 Y229 A233 M234 G235 | F226-M231 HydrophobicContact CB-CB 4.05Å; F226-M231 HydrophobicContact CD1-CB 4.03Å; F226-M231 HydrophobicContact CD1-CE 4.03Å; F226-M231 HydrophobicContact CD1-SD 4.33Å; F226-M231 HydrophobicContact CE1-CE 4.18Å; F226-M231 HydrophobicContact CG-CB 4.47Å; F226-M231 PolarHBondContact O-N 2.87Å; F226-M231 VanDerWaalsContact O-N 3.1Å; Y229-M231 PolarHBondContact O-N 2.91Å; M231-A233 VanDerWaalsContact C-N 3.33Å; M231-A233 PolarHBondContact O-N 3.1Å; M231-M234 HydrophobicContact CB-CB 4.35Å; M231-M234 HydrophobicContact CB-CG 4.48Å; M231-M234 HydrophobicContact CE-CB 4.3Å; M231-M234 HydrophobicContact CE-CE 4.18Å; M231-M234 HydrophobicContact CE-CG 3.74Å; M231-M234 PolarHBondContact O-N 3.35Å; M231-M234 VanDerWaalsContact O-N 3.08Å; M231-G235 PolarHBondContact O-N 3.32Å | ||
| 232 | T | 91.6 | Very high | 91.7 | Very high | 87 Ų | 87 | 41.5 Ų | 41.5 | 53% | 0.534 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.3 | -38.9 | -171 | 52.3 | 0 | 0 | 0 | 0 | 113.6 | I227 G230 M234 G235 L236 | I227-T232 HydrophobicContact CD1-CG2 4.17Å; G230-T232 PolarHBondContact O-N 2.92Å; G230-T232 VanDerWaalsContact O-N 3.12Å; T232-M234 VanDerWaalsContact C-N 3.33Å; T232-M234 PolarHBondContact O-N 2.97Å; T232-G235 WeakPolarHBondContact O-CA 3.45Å; T232-G235 PolarHBondContact O-N 3.34Å; T232-G235 VanDerWaalsContact O-N 3.14Å; T232-L236 WeakPolarHBondContact O-CB 3.28Å; T232-L236 PolarHBondContact O-N 3.3Å |
| 233 | A | 91.4 | Very high | 91.3 | Very high | 9 Ų | 9 | 43.2 Ų | 43.2 | 7% | 0.074 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.9 | -40.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M231 L236 G237 D366 I369 A370 | M231-A233 VanDerWaalsContact C-N 3.33Å; M231-A233 PolarHBondContact O-N 3.1Å; A233-L236 PolarHBondContact O-N 3.48Å; A233-G237 PolarHBondContact O-N 3.32Å; A233-D366 HydrophobicContact CB-CB 4.18Å; A233-I369 HydrophobicContact CB-CB 4.15Å; A233-I369 HydrophobicContact CB-CG2 3.85Å; A233-A370 WeakPolarHBondContact O-CA 3.4Å; A233-A370 WeakPolarHBondContact O-CB 3.49Å |
| 234 | M | 93.3 | Very high | 90.8 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.02 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.9 | -39.1 | 175.3 | -61.9 | -73.3 | -111.8 | 0 | 0 | 110.9 | F226 M231 T232 L236 G237 V238 V305 A310 I369 V372 M373 | F226-M234 HydrophobicContact CD1-CB 3.61Å; F226-M234 HydrophobicContact CD2-CB 4.25Å; F226-M234 HydrophobicContact CE1-CB 3.65Å; F226-M234 HydrophobicContact CE1-CG 4.42Å; F226-M234 HydrophobicContact CE2-CB 4.27Å; F226-M234 HydrophobicContact CG-CB 3.92Å; F226-M234 HydrophobicContact CZ-CB 3.98Å; M231-M234 HydrophobicContact CB-CB 4.35Å; M231-M234 HydrophobicContact CB-CG 4.48Å; M231-M234 HydrophobicContact CE-CB 4.3Å; M231-M234 HydrophobicContact CE-CE 4.18Å; M231-M234 HydrophobicContact CE-CG 3.74Å; M231-M234 PolarHBondContact O-N 3.35Å; M231-M234 VanDerWaalsContact O-N 3.08Å; T232-M234 VanDerWaalsContact C-N 3.33Å; T232-M234 PolarHBondContact O-N 2.97Å; M234-L236 VanDerWaalsContact C-N 3.33Å; M234-L236 PolarHBondContact O-N 3.41Å; M234-G237 PolarHBondContact O-N 3.47Å; M234-V238 PolarHBondContact O-N 3.22Å; M234-V305 HydrophobicContact CE-CG1 3.84Å; M234-A310 HydrophobicContact CE-CB 3.96Å; M234-I369 HydrophobicContact CG-CG2 3.71Å; M234-I369 HydrophobicContact SD-CG2 3.52Å; M234-I369 VanDerWaalsContact SD-CG2 3.52Å; M234-V372 HydrophobicContact CE-CG1 4.49Å; M234-V372 HydrophobicContact SD-CB 4.39Å; M234-M373 HydrophobicContact CB-CE 4.2Å; M234-M373 HydrophobicContact CB-CG 4.44Å; M234-M373 HydrophobicContact CE-CE 3.18Å; M234-M373 HydrophobicContact CG-CE 4.25Å; M234-M373 WeakPolarHBondContact O-CG 3.47Å; M234-M373 HydrophobicContact SD-CE 3.25Å; M234-M373 WeakPolarHBondContact SD-CE 3.11Å; M234-M373 HydrophobicContact SD-CG 4.47Å |
| 235 | G | 92.9 | Very high | 90 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.7 | -44.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | M231 T232 V238 F239 | M231-G235 PolarHBondContact O-N 3.32Å; T232-G235 WeakPolarHBondContact O-CA 3.45Å; T232-G235 PolarHBondContact O-N 3.34Å; T232-G235 VanDerWaalsContact O-N 3.14Å; G235-V238 WeakPolarHBondContact O-CG1 3.25Å; G235-F239 WeakPolarHBondContact O-CB 3.48Å; G235-F239 PolarHBondContact O-N 3.26Å; G235-F239 VanDerWaalsContact O-N 3.08Å |
| 236 | L | 91.2 | Very high | 89 | Confident | 50 Ų | 50 | 33.7 Ų | 33.7 | 26% | 0.262 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 173.8 | 175.3 | 67.7 | 0 | 0 | 0 | 111.3 | T232 A233 M234 V238 F239 T240 L358 F362 | T232-L236 WeakPolarHBondContact O-CB 3.28Å; T232-L236 PolarHBondContact O-N 3.3Å; A233-L236 PolarHBondContact O-N 3.48Å; M234-L236 VanDerWaalsContact C-N 3.33Å; M234-L236 PolarHBondContact O-N 3.41Å; L236-V238 PolarHBondContact O-N 2.92Å; L236-F239 PolarHBondContact O-N 3.21Å; L236-T240 WeakPolarHBondContact O-CB 3.41Å; L236-T240 PolarHBondContact O-N 2.84Å; L236-T240 PolarHBondContact O-OG1 3.39Å; L236-T240 VanDerWaalsContact O-OG1 3.07Å; L236-L358 HydrophobicContact CD2-CD2 4.3Å; L236-L358 HydrophobicContact CG-CD2 4.06Å; L236-F362 HydrophobicContact CD1-CE2 4.26Å; L236-F362 HydrophobicContact CD1-CZ 3.88Å; L236-F362 HydrophobicContact CD2-CD1 3.79Å; L236-F362 HydrophobicContact CD2-CD2 3.83Å; L236-F362 HydrophobicContact CD2-CE1 3.39Å; L236-F362 HydrophobicContact CD2-CE2 3.45Å; L236-F362 VanDerWaalsContact CD2-CE2 3.45Å; L236-F362 HydrophobicContact CD2-CG 4.01Å; L236-F362 HydrophobicContact CD2-CZ 3.21Å; L236-F362 HydrophobicContact CG-CE2 4.19Å; L236-F362 HydrophobicContact CG-CZ 4.07Å |
| 237 | G | 93.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.8 | -44.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A233 M234 A241 A370 | A233-G237 PolarHBondContact O-N 3.32Å; M234-G237 PolarHBondContact O-N 3.47Å; G237-A241 WeakPolarHBondContact O-CB 3.24Å; G237-A241 PolarHBondContact O-N 2.97Å; G237-A370 VanDerWaalsContact CA-O 3.31Å; G237-A370 WeakPolarHBondContact CA-O 3.47Å |
| 238 | V | 93.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.5 | -36.3 | 178.9 | 69.6 | 0 | 0 | 0 | 0 | 111.6 | V221 A222 F226 M234 G235 L236 A241 G242 V317 M373 | V221-V238 HydrophobicContact CG1-CG2 4.15Å; A222-V238 HydrophobicContact CB-CG1 3.7Å; F226-V238 HydrophobicContact CD2-CG1 3.88Å; F226-V238 HydrophobicContact CE2-CB 4.09Å; F226-V238 HydrophobicContact CE2-CG1 3.69Å; M234-V238 PolarHBondContact O-N 3.22Å; G235-V238 WeakPolarHBondContact O-CG1 3.25Å; L236-V238 PolarHBondContact O-N 2.92Å; V238-A241 PolarHBondContact O-N 3.36Å; V238-G242 PolarHBondContact O-N 3.36Å; V238-V317 HydrophobicContact CG2-CG2 3.42Å; V238-V317 VanDerWaalsContact CG2-CG2 3.42Å; V238-M373 HydrophobicContact CB-CB 4.19Å; V238-M373 HydrophobicContact CB-CG 3.93Å; V238-M373 HydrophobicContact CB-SD 4.43Å |
| 239 | F | 92.9 | Very high | 86.9 | Confident | 74 Ų | 74 | 28.4 Ų | 28.4 | 33% | 0.325 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.7 | -50 | 174.9 | 178.7 | -107.1 | 0 | 0 | 0 | 111.3 | P215 F219 G235 L236 A241 G242 C243 | P215-F239 HydrophobicContact CB-CE2 4.39Å; F219-F239 HydrophobicContact CB-CD2 3.96Å; F219-F239 HydrophobicContact CB-CE2 4.06Å; F219-F239 HydrophobicContact CD2-CD2 4.47Å; G235-F239 WeakPolarHBondContact O-CB 3.48Å; G235-F239 PolarHBondContact O-N 3.26Å; G235-F239 VanDerWaalsContact O-N 3.08Å; L236-F239 PolarHBondContact O-N 3.21Å; F239-A241 VanDerWaalsContact C-N 3.28Å; F239-A241 PolarHBondContact O-N 3.03Å; F239-G242 PolarHBondContact O-N 2.84Å; F239-G242 VanDerWaalsContact O-N 3.1Å; F239-C243 VanDerWaalsContact CE2-SG 3.51Å; F239-C243 WeakPolarHBondContact CZ-SG 3.3Å; F239-C243 WeakPolarHBondContact O-CB 2.93Å; F239-C243 PolarHBondContact O-N 2.6Å; F239-C243 PolarHBondContact O-SG 3.4Å; F239-C243 VanDerWaalsContact O-SG 3.35Å |
| 240 | T | 89.6 | Confident | 86.8 | Confident | 8 Ų | 8 | 22.3 Ų | 22.3 | 5% | 0.049 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.8 | -38.5 | 177 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | L236 C243 S244 A354 M357 L358 | L236-T240 WeakPolarHBondContact O-CB 3.41Å; L236-T240 PolarHBondContact O-N 2.84Å; L236-T240 PolarHBondContact O-OG1 3.39Å; L236-T240 VanDerWaalsContact O-OG1 3.07Å; T240-C243 PolarHBondContact O-N 3.24Å; T240-S244 PolarHBondContact O-N 2.91Å; T240-S244 VanDerWaalsContact O-N 3.16Å; T240-S244 PolarHBondContact O-OG 3.24Å; T240-A354 HydrophobicContact CG2-CB 4.15Å; T240-M357 HydrophobicContact CG2-SD 3.59Å; T240-M357 VanDerWaalsContact CG2-SD 3.59Å; T240-L358 HydrophobicContact CG2-CD1 4.35Å; T240-L358 HydrophobicContact CG2-CD2 4.16Å; T240-L358 HydrophobicContact CG2-CG 3.97Å |
| 241 | A | 91.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61 | -43 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G237 V238 F239 S244 Q349 P374 V377 | G237-A241 WeakPolarHBondContact O-CB 3.24Å; G237-A241 PolarHBondContact O-N 2.97Å; V238-A241 PolarHBondContact O-N 3.36Å; F239-A241 VanDerWaalsContact C-N 3.28Å; F239-A241 PolarHBondContact O-N 3.03Å; A241-S244 PolarHBondContact O-N 2.84Å; A241-Q349 WeakPolarHBondContact O-CB 3.46Å; A241-Q349 WeakPolarHBondContact O-CG 3.25Å; A241-P374 HydrophobicContact CB-CB 4.34Å; A241-P374 HydrophobicContact CB-CG 4.09Å; A241-V377 HydrophobicContact CB-CB 4.5Å; A241-V377 HydrophobicContact CB-CG2 4.08Å |
| 242 | G | 87.5 | Confident | 86.5 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -77.1 | -21.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | M214 V238 F239 S244 Q349 | M214-G242 WeakPolarHBondContact CB-O 3.44Å; V238-G242 PolarHBondContact O-N 3.36Å; F239-G242 PolarHBondContact O-N 2.84Å; F239-G242 VanDerWaalsContact O-N 3.1Å; G242-S244 VanDerWaalsContact C-N 3.33Å; G242-Q349 PolarHBondContact O-OE1 3Å; G242-Q349 VanDerWaalsContact O-OE1 3.13Å |
| 243 | C | 85.1 | Confident | 86.4 | Confident | 42 Ų | 42 | 17.7 Ų | 17.7 | 28% | 0.284 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -83.6 | -11.2 | 173 | -69.5 | 0 | 0 | 0 | 0 | 112.9 | F239 T240 | F239-C243 VanDerWaalsContact CE2-SG 3.51Å; F239-C243 WeakPolarHBondContact CZ-SG 3.3Å; F239-C243 WeakPolarHBondContact O-CB 2.93Å; F239-C243 PolarHBondContact O-N 2.6Å; F239-C243 PolarHBondContact O-SG 3.4Å; F239-C243 VanDerWaalsContact O-SG 3.35Å; T240-C243 PolarHBondContact O-N 3.24Å |
| 244 | S | 85 | Confident | 86.3 | Confident | 7 Ų | 7 | 17.2 Ų | 17.2 | 5% | 0.049 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -76.6 | 118.4 | -177 | -67.2 | 0 | 0 | 0 | 0 | 110.2 | Q210 T240 A241 G242 Q349 N350 A354 | Q210-S244 PolarHBondContact NE2-O 2.97Å; T240-S244 PolarHBondContact O-N 2.91Å; T240-S244 VanDerWaalsContact O-N 3.16Å; T240-S244 PolarHBondContact O-OG 3.24Å; A241-S244 PolarHBondContact O-N 2.84Å; G242-S244 VanDerWaalsContact C-N 3.33Å; S244-Q349 PolarHBondContact O-OE1 3.13Å; S244-N350 WeakPolarHBondContact CB-O 3.49Å; S244-A354 VanDerWaalsContact OG-CB 3.32Å; S244-A354 WeakPolarHBondContact OG-CB 3.34Å |
| 245 | P | 77.8 | Confident | 86 | Confident | 22 Ų | 22 | 22.5 Ų | 22.5 | 14% | 0.143 | 13% | 0.125 | C | C | . | . | P | Polyproline II helix | trans | -52 | 153.8 | -178 | 22.8 | -33.5 | 0 | 0 | 0 | 112.8 | Q210 M272 N350 | Q210-P245 HydrophobicContact CG-CB 4.43Å; Q210-P245 VanDerWaalsContact NE2-CA 3.3Å; P245-M272 HydrophobicContact CB-CG 3.71Å; P245-M272 HydrophobicContact CB-SD 4.49Å; P245-M272 HydrophobicContact CG-CE 4.03Å; P245-M272 HydrophobicContact CG-CG 3.48Å; P245-M272 VanDerWaalsContact CG-CG 3.48Å; P245-M272 HydrophobicContact CG-SD 3.93Å; P245-N350 WeakPolarHBondContact O-CB 3.43Å; P245-N350 PolarHBondContact O-N 3.05Å |
| 246 | G | 72.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -54.8 | 165.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I348 | G246-I348 VanDerWaalsContact CA-O 3.25Å; G246-I348 WeakPolarHBondContact CA-O 3.32Å |
| 247 | G | 76.1 | Confident | 85.8 | Confident | 6 Ų | 6 | 23.8 Ų | 23.8 | 6% | 0.062 | 13% | 0.131 | C | C | . | . | trans | -148.3 | -175.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113 | A249 S250 | G247-A249 PolarHBondContact O-N 3.36Å; G247-S250 PolarHBondContact O-N 3.33Å; G247-S250 PolarHBondContact O-OG 2.92Å | ||
| 248 | G | 74.4 | Confident | 85.6 | Confident | 11 Ų | 11 | 27.5 Ų | 27.5 | 11% | 0.113 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -54.3 | -21.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | S250 N251 A252 | G248-S250 VanDerWaalsContact C-N 3.33Å; G248-S250 PolarHBondContact O-N 3.36Å; G248-N251 PolarHBondContact O-N 3.49Å; G248-A252 PolarHBondContact O-N 3.26Å |
| 249 | A | 81.3 | Confident | 85.5 | Confident | 36 Ų | 36 | 27.8 Ų | 27.8 | 30% | 0.298 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -63.4 | -34.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G247 N251 A252 Y253 I348 | G247-A249 PolarHBondContact O-N 3.36Å; A249-N251 VanDerWaalsContact C-N 3.34Å; A249-N251 PolarHBondContact O-N 3.43Å; A249-A252 PolarHBondContact O-N 3.32Å; A249-Y253 WeakPolarHBondContact O-CD2 3.38Å; A249-Y253 PolarHBondContact O-N 2.78Å; A249-Y253 VanDerWaalsContact O-N 3.13Å; A249-I348 HydrophobicContact CB-CG2 4.2Å |
| 250 | S | 86 | Confident | 85.5 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.3 | -42.8 | 175.8 | 66.9 | 0 | 0 | 0 | 0 | 111 | G247 G248 A252 Y253 T254 E345 | G247-S250 PolarHBondContact O-N 3.33Å; G247-S250 PolarHBondContact O-OG 2.92Å; G248-S250 VanDerWaalsContact C-N 3.33Å; G248-S250 PolarHBondContact O-N 3.36Å; S250-A252 VanDerWaalsContact C-N 3.32Å; S250-A252 PolarHBondContact O-N 2.88Å; S250-Y253 PolarHBondContact O-N 3.34Å; S250-T254 WeakPolarHBondContact O-CB 3.2Å; S250-T254 PolarHBondContact O-N 2.85Å; S250-T254 PolarHBondContact O-OG1 3.19Å; S250-E345 VanDerWaalsContact CB-OE2 3.29Å; S250-E345 WeakPolarHBondContact CB-OE2 3.35Å; S250-E345 PolarHBondContact OG-OE2 3.05Å |
| 251 | N | 85.6 | Confident | 85.5 | Confident | 8 Ų | 8 | 26.6 Ų | 26.6 | 4% | 0.043 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.6 | -41.1 | 177 | -63.7 | -34.1 | 0 | 0 | 0 | 112.3 | G248 A249 Y255 S264 V265 | G248-N251 PolarHBondContact O-N 3.49Å; A249-N251 VanDerWaalsContact C-N 3.34Å; A249-N251 PolarHBondContact O-N 3.43Å; N251-Y255 PolarHBondContact O-N 3.01Å; N251-Y255 VanDerWaalsContact O-N 3.11Å; N251-S264 WeakPolarHBondContact OD1-CB 3.42Å; N251-S264 PolarHBondContact OD1-OG 3.39Å; N251-V265 PolarHBondContact OD1-N 3.4Å |
| 252 | A | 83.9 | Confident | 85.5 | Confident | 39 Ų | 39 | 30.1 Ų | 30.1 | 32% | 0.322 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.3 | -45.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G248 A249 S250 Y255 L256 | G248-A252 PolarHBondContact O-N 3.26Å; A249-A252 PolarHBondContact O-N 3.32Å; S250-A252 VanDerWaalsContact C-N 3.32Å; S250-A252 PolarHBondContact O-N 2.88Å; A252-Y255 WeakPolarHBondContact O-CB 3.4Å; A252-Y255 PolarHBondContact O-N 2.88Å; A252-L256 WeakPolarHBondContact O-CG 3.21Å; A252-L256 PolarHBondContact O-N 3.22Å; A252-L256 VanDerWaalsContact O-N 3.15Å |
| 253 | Y | 88.9 | Confident | 85.8 | Confident | 52 Ų | 52 | 30.2 Ų | 30.2 | 20% | 0.204 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72.2 | -34.5 | 178.5 | -70 | -60.1 | 0 | 0 | 0 | 113.1 | A249 S250 Y255 L256 L257 I348 V385 M389 | A249-Y253 WeakPolarHBondContact O-CD2 3.38Å; A249-Y253 PolarHBondContact O-N 2.78Å; A249-Y253 VanDerWaalsContact O-N 3.13Å; S250-Y253 PolarHBondContact O-N 3.34Å; Y253-Y255 VanDerWaalsContact C-N 3.26Å; Y253-Y255 PolarHBondContact O-N 3.43Å; Y253-L256 HydrophobicContact CD1-CD1 4.24Å; Y253-L256 PolarHBondContact O-N 3.44Å; Y253-L257 WeakPolarHBondContact O-CB 3.47Å; Y253-L257 PolarHBondContact O-N 2.93Å; Y253-I348 HydrophobicContact CD2-CD1 3.69Å; Y253-I348 HydrophobicContact CE2-CD1 4.42Å; Y253-V385 HydrophobicContact CD1-CB 4.4Å; Y253-V385 HydrophobicContact CD1-CG1 3.28Å; Y253-V385 HydrophobicContact CD2-CG1 4.11Å; Y253-V385 HydrophobicContact CE1-CB 4.45Å; Y253-V385 HydrophobicContact CE1-CG1 3.71Å; Y253-V385 HydrophobicContact CE2-CG1 4.47Å; Y253-V385 HydrophobicContact CG-CG1 3.5Å; Y253-V385 VanDerWaalsContact CG-CG1 3.5Å; Y253-M389 HydrophobicContact CD1-SD 4.02Å; Y253-M389 HydrophobicContact CE1-SD 4.16Å |
| 254 | T | 90.8 | Very high | 86 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.9 | -41.8 | 173 | -63.8 | 0 | 0 | 0 | 0 | 110.2 | S250 D258 G259 S264 A341 | S250-T254 WeakPolarHBondContact O-CB 3.2Å; S250-T254 PolarHBondContact O-N 2.85Å; S250-T254 PolarHBondContact O-OG1 3.19Å; T254-D258 PolarHBondContact O-N 2.9Å; T254-G259 WeakPolarHBondContact O-CA 3.36Å; T254-G259 PolarHBondContact O-N 3.4Å; T254-S264 PolarHBondContact OG1-OG 3.02Å; T254-A341 HydrophobicContact CG2-CB 3.97Å |
| 255 | Y | 87.1 | Confident | 86.1 | Confident | 114 Ų | 114 | 28.3 Ų | 28.3 | 45% | 0.447 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -62.3 | -47.1 | 173.9 | 179.6 | -96.8 | 0 | 0 | 0 | 112.3 | N251 A252 Y253 L257 D258 I261 | N251-Y255 PolarHBondContact O-N 3.01Å; N251-Y255 VanDerWaalsContact O-N 3.11Å; A252-Y255 WeakPolarHBondContact O-CB 3.4Å; A252-Y255 PolarHBondContact O-N 2.88Å; Y253-Y255 VanDerWaalsContact C-N 3.26Å; Y253-Y255 PolarHBondContact O-N 3.43Å; Y255-L257 VanDerWaalsContact C-N 3.28Å; Y255-L257 PolarHBondContact O-N 2.66Å; Y255-D258 PolarHBondContact O-N 3.28Å; Y255-I261 HydrophobicContact CD2-CD1 4.08Å |
| 256 | L | 87.8 | Confident | 86.6 | Confident | 58 Ų | 58 | 27.3 Ų | 27.3 | 30% | 0.304 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -68.2 | -24.3 | -177.7 | -68.3 | 170 | 0 | 0 | 0 | 113.9 | A252 Y253 M389 Y393 | A252-L256 WeakPolarHBondContact O-CG 3.21Å; A252-L256 PolarHBondContact O-N 3.22Å; A252-L256 VanDerWaalsContact O-N 3.15Å; Y253-L256 HydrophobicContact CD1-CD1 4.24Å; Y253-L256 PolarHBondContact O-N 3.44Å; L256-M389 HydrophobicContact CB-CE 4.08Å; L256-M389 HydrophobicContact CB-SD 4.44Å; L256-M389 HydrophobicContact CD1-CE 3.84Å; L256-M389 HydrophobicContact CD1-SD 4.31Å; L256-M389 HydrophobicContact CG-CE 4.4Å; L256-Y393 PolarHBondContact O-OH 2.91Å |
| 257 | L | 91.6 | Very high | 87.3 | Confident | 22 Ų | 22 | 27.4 Ų | 27.4 | 12% | 0.115 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 17.2 | 179.3 | -71 | 172.3 | 0 | 0 | 0 | 113.1 | Y253 Y255 G259 V340 L344 V385 A388 M389 Y392 | Y253-L257 WeakPolarHBondContact O-CB 3.47Å; Y253-L257 PolarHBondContact O-N 2.93Å; Y255-L257 VanDerWaalsContact C-N 3.28Å; Y255-L257 PolarHBondContact O-N 2.66Å; L257-G259 PolarHBondContact O-N 3.47Å; L257-V340 HydrophobicContact CB-CG1 3.84Å; L257-L344 HydrophobicContact CD1-CD1 4.09Å; L257-L344 HydrophobicContact CD1-CD2 4.27Å; L257-V385 HydrophobicContact CD1-CG1 4.06Å; L257-A388 HydrophobicContact CD1-CB 4.45Å; L257-A388 HydrophobicContact CD2-CB 4.47Å; L257-M389 HydrophobicContact CD1-CG 4.42Å; L257-M389 HydrophobicContact CD2-CB 4.34Å; L257-M389 HydrophobicContact CD2-CG 3.6Å; L257-M389 HydrophobicContact CG-CG 3.98Å; L257-Y392 HydrophobicContact CD2-CG 4.49Å |
| 258 | D | 89.1 | Confident | 87.7 | Confident | 78 Ų | 78 | 27.2 Ų | 27.2 | 42% | 0.417 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 35.5 | -179.2 | -70.4 | -52.6 | 0 | 0 | 0 | 113.7 | T254 Y255 Y392 | T254-D258 PolarHBondContact O-N 2.9Å; Y255-D258 PolarHBondContact O-N 3.28Å; D258-Y392 WeakPolarHBondContact OD2-CE1 3.42Å; D258-Y392 VanDerWaalsContact OD2-CZ 3.28Å; D258-Y392 PolarHBondContact OD2-OH 2.9Å |
| 259 | G | 91.6 | Very high | 88.2 | Confident | 7 Ų | 7 | 29 Ų | 29 | 7% | 0.072 | 15% | 0.153 | C | C | . | . | trans | -79.1 | 169.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T254 L257 I261 A337 | T254-G259 WeakPolarHBondContact O-CA 3.36Å; T254-G259 PolarHBondContact O-N 3.4Å; L257-G259 PolarHBondContact O-N 3.47Å; G259-I261 PolarHBondContact O-N 2.87Å; G259-A337 WeakPolarHBondContact CA-O 3.5Å | ||
| 260 | N | 92.7 | Very high | 88.2 | Confident | 45 Ų | 45 | 30.8 Ų | 30.8 | 24% | 0.241 | 16% | 0.157 | C | C | . | . | trans | -74.8 | 95.4 | 177.1 | -174.5 | -17.1 | 0 | 0 | 0 | 109.9 | D262 L263 S264 A337 N338 A341 | N260-D262 PolarHBondContact OD1-N 3.26Å; N260-L263 HydrophobicContact CB-CB 3.91Å; N260-L263 VanDerWaalsContact CG-CB 3.46Å; N260-L263 PolarHBondContact O-N 3.1Å; N260-L263 PolarHBondContact OD1-N 3.45Å; N260-S264 PolarHBondContact O-N 3.34Å; N260-A337 HydrophobicContact CB-CB 4.06Å; N260-A337 PolarHBondContact N-O 3.07Å; N260-N338 VanDerWaalsContact CB-OD1 3.32Å; N260-N338 WeakPolarHBondContact CB-OD1 3.5Å; N260-N338 PolarHBondContact ND2-OD1 3.36Å; N260-A341 HydrophobicContact CB-CB 4.41Å; N260-A341 WeakPolarHBondContact O-CB 3.25Å | ||
| 261 | I | 90.5 | Very high | 87.7 | Confident | 12 Ų | 12 | 31.5 Ų | 31.5 | 6% | 0.062 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.9 | -40.7 | -178.2 | -164.6 | 162.8 | 0 | 0 | 0 | 112.5 | Y255 G259 L263 S264 V265 Y276 | Y255-I261 HydrophobicContact CD2-CD1 4.08Å; G259-I261 PolarHBondContact O-N 2.87Å; I261-L263 PolarHBondContact O-N 3.47Å; I261-S264 WeakPolarHBondContact O-CB 3.4Å; I261-S264 PolarHBondContact O-N 3Å; I261-S264 VanDerWaalsContact O-N 3.09Å; I261-V265 HydrophobicContact CG1-CG2 4.12Å; I261-V265 WeakPolarHBondContact O-CB 3.41Å; I261-V265 VanDerWaalsContact O-CG2 3.24Å; I261-V265 WeakPolarHBondContact O-CG2 3.4Å; I261-V265 PolarHBondContact O-N 2.9Å; I261-Y276 HydrophobicContact CD1-CD2 3.99Å; I261-Y276 HydrophobicContact CD1-CE2 3.31Å; I261-Y276 HydrophobicContact CG1-CD2 4.4Å; I261-Y276 HydrophobicContact CG1-CE2 4.13Å |
| 262 | D | 91.1 | Very high | 87 | Confident | 74 Ų | 74 | 32.4 Ų | 32.4 | 40% | 0.396 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.7 | -38.2 | 179.3 | -61 | -25.7 | 0 | 0 | 0 | 110.7 | V192 V196 N260 T266 | V192-D262 HydrophobicContact CG1-CB 3.66Å; V196-D262 HydrophobicContact CG2-CB 3.89Å; N260-D262 PolarHBondContact OD1-N 3.26Å; D262-T266 VanDerWaalsContact O-CB 3.31Å; D262-T266 WeakPolarHBondContact O-CB 3.46Å; D262-T266 PolarHBondContact O-N 2.97Å; D262-T266 PolarHBondContact O-OG1 3.05Å |
| 263 | L | 92 | Very high | 85.2 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.7 | -47.7 | 172.9 | 178.6 | 62.8 | 0 | 0 | 0 | 112.2 | V196 A202 P203 N260 I261 V265 T266 M267 N338 A341 I342 | V196-L263 HydrophobicContact CG1-CD1 3.79Å; A202-L263 HydrophobicContact CB-CD1 3.83Å; A202-L263 HydrophobicContact CB-CD2 3.64Å; A202-L263 HydrophobicContact CB-CG 4.4Å; P203-L263 HydrophobicContact CB-CD1 4.49Å; P203-L263 HydrophobicContact CG-CD1 3.75Å; N260-L263 HydrophobicContact CB-CB 3.91Å; N260-L263 VanDerWaalsContact CG-CB 3.46Å; N260-L263 PolarHBondContact O-N 3.1Å; N260-L263 PolarHBondContact OD1-N 3.45Å; I261-L263 PolarHBondContact O-N 3.47Å; L263-V265 PolarHBondContact O-N 3.43Å; L263-T266 PolarHBondContact O-N 2.77Å; L263-M267 HydrophobicContact CD1-CG 4.11Å; L263-M267 HydrophobicContact CD1-SD 4.18Å; L263-M267 HydrophobicContact CD2-CE 4.48Å; L263-M267 HydrophobicContact CG-CE 3.92Å; L263-M267 HydrophobicContact CG-CG 4.43Å; L263-M267 HydrophobicContact CG-SD 4.13Å; L263-M267 WeakPolarHBondContact O-CG 3.49Å; L263-M267 PolarHBondContact O-N 2.98Å; L263-N338 HydrophobicContact CD2-CB 3.81Å; L263-A341 HydrophobicContact CD2-CB 4.27Å; L263-I342 HydrophobicContact CD2-CD1 4.45Å; L263-I342 HydrophobicContact CD2-CG1 4.23Å |
| 264 | S | 90.5 | Very high | 83.1 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -55.5 | -51.1 | 177.2 | -168.6 | 0 | 0 | 0 | 0 | 111.2 | N251 T254 N260 I261 T266 M267 T268 | N251-S264 WeakPolarHBondContact OD1-CB 3.42Å; N251-S264 PolarHBondContact OD1-OG 3.39Å; T254-S264 PolarHBondContact OG1-OG 3.02Å; N260-S264 PolarHBondContact O-N 3.34Å; I261-S264 WeakPolarHBondContact O-CB 3.4Å; I261-S264 PolarHBondContact O-N 3Å; I261-S264 VanDerWaalsContact O-N 3.09Å; S264-T266 VanDerWaalsContact C-N 3.3Å; S264-T266 PolarHBondContact O-N 2.81Å; S264-M267 PolarHBondContact O-N 2.82Å; S264-M267 VanDerWaalsContact O-N 3.17Å; S264-T268 PolarHBondContact O-N 3.5Å; S264-T268 PolarHBondContact O-OG1 3.07Å; S264-T268 VanDerWaalsContact O-OG1 3.1Å |
| 265 | V | 86.8 | Confident | 80.8 | Confident | 10 Ų | 10 | 35.7 Ų | 35.7 | 6% | 0.061 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59 | -41.3 | 177.4 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | N251 I261 L263 F269 A275 Y276 | N251-V265 PolarHBondContact OD1-N 3.4Å; I261-V265 HydrophobicContact CG1-CG2 4.12Å; I261-V265 WeakPolarHBondContact O-CB 3.41Å; I261-V265 VanDerWaalsContact O-CG2 3.24Å; I261-V265 WeakPolarHBondContact O-CG2 3.4Å; I261-V265 PolarHBondContact O-N 2.9Å; L263-V265 PolarHBondContact O-N 3.43Å; V265-F269 VanDerWaalsContact O-CB 3.24Å; V265-F269 WeakPolarHBondContact O-CB 3.46Å; V265-F269 PolarHBondContact O-N 3.24Å; V265-A275 HydrophobicContact CB-CB 4.45Å; V265-A275 HydrophobicContact CG1-CB 3.63Å; V265-Y276 VanDerWaalsContact CG2-CB 3.46Å; V265-Y276 HydrophobicContact CG2-CD1 4.42Å; V265-Y276 HydrophobicContact CG2-CD2 3.95Å; V265-Y276 HydrophobicContact CG2-CG 3.67Å |
| 266 | T | 87.9 | Confident | 78.8 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.3 | -42.2 | 176.9 | -59.5 | 0 | 0 | 0 | 0 | 112.1 | V193 V196 I197 D262 L263 S264 F269 L270 | V193-T266 HydrophobicContact CG1-CG2 4.23Å; V196-T266 HydrophobicContact CB-CG2 4Å; V196-T266 WeakPolarHBondContact CB-OG1 3.27Å; V196-T266 HydrophobicContact CG1-CG2 3.71Å; I197-T266 HydrophobicContact CG1-CG2 3.98Å; D262-T266 VanDerWaalsContact O-CB 3.31Å; D262-T266 WeakPolarHBondContact O-CB 3.46Å; D262-T266 PolarHBondContact O-N 2.97Å; D262-T266 PolarHBondContact O-OG1 3.05Å; L263-T266 PolarHBondContact O-N 2.77Å; S264-T266 VanDerWaalsContact C-N 3.3Å; S264-T266 PolarHBondContact O-N 2.81Å; T266-F269 PolarHBondContact O-N 2.88Å; T266-L270 HydrophobicContact CG2-CD1 4.05Å; T266-L270 HydrophobicContact CG2-CG 4.45Å; T266-L270 WeakPolarHBondContact O-CB 3.44Å; T266-L270 VanDerWaalsContact O-CG 3.26Å; T266-L270 WeakPolarHBondContact O-CG 3.27Å; T266-L270 PolarHBondContact O-N 2.9Å |
| 267 | M | 87.8 | Confident | 77.1 | Confident | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.015 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.4 | -46.7 | 177.2 | -68.9 | -178.9 | -56.1 | 0 | 0 | 110.7 | L263 S264 F269 L270 S271 A341 I342 E345 | L263-M267 HydrophobicContact CD1-CG 4.11Å; L263-M267 HydrophobicContact CD1-SD 4.18Å; L263-M267 HydrophobicContact CD2-CE 4.48Å; L263-M267 HydrophobicContact CG-CE 3.92Å; L263-M267 HydrophobicContact CG-CG 4.43Å; L263-M267 HydrophobicContact CG-SD 4.13Å; L263-M267 WeakPolarHBondContact O-CG 3.49Å; L263-M267 PolarHBondContact O-N 2.98Å; S264-M267 PolarHBondContact O-N 2.82Å; S264-M267 VanDerWaalsContact O-N 3.17Å; M267-F269 VanDerWaalsContact C-N 3.29Å; M267-F269 PolarHBondContact O-N 3.35Å; M267-L270 PolarHBondContact O-N 3.32Å; M267-L270 VanDerWaalsContact O-N 3.11Å; M267-S271 WeakPolarHBondContact O-CB 3.41Å; M267-S271 PolarHBondContact O-N 2.94Å; M267-S271 PolarHBondContact O-OG 2.99Å; M267-A341 HydrophobicContact CE-CB 4.19Å; M267-I342 HydrophobicContact CE-CG1 4.33Å; M267-I342 HydrophobicContact SD-CG1 4.01Å; M267-E345 HydrophobicContact CB-CG 3.93Å; M267-E345 HydrophobicContact CE-CB 3.72Å; M267-E345 HydrophobicContact CE-CG 4.03Å; M267-E345 HydrophobicContact SD-CG 4.46Å |
| 268 | T | 85 | Confident | 75.3 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.9 | -43.7 | 175.3 | -53.6 | 0 | 0 | 0 | 0 | 110.4 | S264 L270 S271 M272 E345 | S264-T268 PolarHBondContact O-N 3.5Å; S264-T268 PolarHBondContact O-OG1 3.07Å; S264-T268 VanDerWaalsContact O-OG1 3.1Å; T268-L270 VanDerWaalsContact C-N 3.35Å; T268-L270 PolarHBondContact O-N 3.38Å; T268-S271 PolarHBondContact O-N 3.48Å; T268-M272 CarbonylContact C-O 3.33Å; T268-M272 CarbonylContact O-C 3.53Å; T268-M272 WeakPolarHBondContact O-CA 3.43Å; T268-M272 PolarHBondContact O-N 3.45Å; T268-E345 VanDerWaalsContact CA-OE1 3.32Å; T268-E345 WeakPolarHBondContact CA-OE1 3.47Å; T268-E345 PolarHBondContact N-OE1 3.08Å; T268-E345 PolarHBondContact OG1-OE1 2.83Å; T268-E345 PolarHBondContact OG1-OE2 3.4Å |
| 269 | F | 83.7 | Confident | 73.9 | Confident | 48 Ų | 48 | 38 Ų | 38 | 21% | 0.211 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.8 | -37.3 | 175.6 | 174.9 | -105.4 | 0 | 0 | 0 | 114 | I188 L190 V193 V265 T266 M267 M272 V273 | I188-F269 HydrophobicContact CD1-CB 4.15Å; I188-F269 HydrophobicContact CD1-CD2 3.21Å; I188-F269 HydrophobicContact CD1-CE2 3.86Å; I188-F269 HydrophobicContact CD1-CG 3.96Å; L190-F269 HydrophobicContact CD2-CZ 4.48Å; V193-F269 HydrophobicContact CG1-CD1 3.55Å; V193-F269 HydrophobicContact CG1-CE1 3.76Å; V193-F269 HydrophobicContact CG1-CG 4.48Å; V193-F269 HydrophobicContact CG2-CD1 4.3Å; V193-F269 HydrophobicContact CG2-CG 4.48Å; V265-F269 VanDerWaalsContact O-CB 3.24Å; V265-F269 WeakPolarHBondContact O-CB 3.46Å; V265-F269 PolarHBondContact O-N 3.24Å; T266-F269 PolarHBondContact O-N 2.88Å; M267-F269 VanDerWaalsContact C-N 3.29Å; M267-F269 PolarHBondContact O-N 3.35Å; F269-M272 CarbonylContact C-O 3.04Å; F269-M272 WeakPolarHBondContact CA-O 3.2Å; F269-M272 CarbonylContact O-C 3.56Å; F269-V273 HydrophobicContact CE2-CG1 3.97Å |
| 270 | L | 81.8 | Confident | 72.5 | Confident | 74 Ų | 74 | 38 Ų | 38 | 39% | 0.387 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -76.6 | -32.9 | 177.7 | -70.8 | 173 | 0 | 0 | 0 | 112.2 | I197 P203 T266 M267 T268 | I197-L270 HydrophobicContact CD1-CD2 4.22Å; I197-L270 HydrophobicContact CG1-CD1 4.46Å; P203-L270 HydrophobicContact CB-CD1 4.28Å; T266-L270 HydrophobicContact CG2-CD1 4.05Å; T266-L270 HydrophobicContact CG2-CG 4.45Å; T266-L270 WeakPolarHBondContact O-CB 3.44Å; T266-L270 VanDerWaalsContact O-CG 3.26Å; T266-L270 WeakPolarHBondContact O-CG 3.27Å; T266-L270 PolarHBondContact O-N 2.9Å; M267-L270 PolarHBondContact O-N 3.32Å; M267-L270 VanDerWaalsContact O-N 3.11Å; T268-L270 VanDerWaalsContact C-N 3.35Å; T268-L270 PolarHBondContact O-N 3.38Å |
| 271 | S | 76 | Confident | 71.3 | Confident | 15 Ų | 15 | 41.3 Ų | 41.3 | 11% | 0.105 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -85 | -24.5 | 179 | -69.8 | 0 | 0 | 0 | 0 | 113.1 | M267 T268 | M267-S271 WeakPolarHBondContact O-CB 3.41Å; M267-S271 PolarHBondContact O-N 2.94Å; M267-S271 PolarHBondContact O-OG 2.99Å; T268-S271 PolarHBondContact O-N 3.48Å |
| 272 | M | 70.1 | Confident | 70.6 | Confident | 28 Ų | 28 | 44.6 Ų | 44.6 | 14% | 0.138 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -149 | 138.8 | 172.6 | -57.6 | -154.8 | 87.3 | 0 | 0 | 108.8 | P245 T268 F269 F274 I353 | P245-M272 HydrophobicContact CB-CG 3.71Å; P245-M272 HydrophobicContact CB-SD 4.49Å; P245-M272 HydrophobicContact CG-CE 4.03Å; P245-M272 HydrophobicContact CG-CG 3.48Å; P245-M272 VanDerWaalsContact CG-CG 3.48Å; P245-M272 HydrophobicContact CG-SD 3.93Å; T268-M272 CarbonylContact C-O 3.33Å; T268-M272 CarbonylContact O-C 3.53Å; T268-M272 WeakPolarHBondContact O-CA 3.43Å; T268-M272 PolarHBondContact O-N 3.45Å; F269-M272 CarbonylContact C-O 3.04Å; F269-M272 WeakPolarHBondContact CA-O 3.2Å; F269-M272 CarbonylContact O-C 3.56Å; M272-F274 HydrophobicContact CB-CD2 4.21Å; M272-F274 PolarHBondContact O-N 3.05Å; M272-I353 HydrophobicContact CE-CD1 3.06Å; M272-I353 HydrophobicContact SD-CD1 3.9Å |
| 273 | V | 47.5 | Very low | 70 | Confident | 100 Ų | 100 | 43.1 Ų | 43.1 | 61% | 0.606 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -74.6 | 54.2 | -179.4 | -170 | 0 | 0 | 0 | 0 | 113.1 | F269 | F269-V273 HydrophobicContact CE2-CG1 3.97Š|
| 274 | F | 44 | Very low | 69.2 | Low | 59 Ų | 59 | 45 Ų | 45 | 26% | 0.259 | 23% | 0.228 | S | C | . | . | trans | -155.5 | 123.9 | -173.2 | -56.7 | -61.9 | 0 | 0 | 0 | 114.2 | N181 M184 A185 M272 | N181-F274 HydrophobicContact CB-CB 4.14Å; N181-F274 HydrophobicContact CB-CD1 3.58Å; N181-F274 HydrophobicContact CB-CD2 3.41Å; N181-F274 VanDerWaalsContact CB-CD2 3.41Å; N181-F274 HydrophobicContact CB-CE1 3.75Å; N181-F274 HydrophobicContact CB-CE2 3.57Å; N181-F274 HydrophobicContact CB-CG 3.42Å; N181-F274 VanDerWaalsContact CB-CG 3.42Å; N181-F274 HydrophobicContact CB-CZ 3.74Å; N181-F274 VanDerWaalsContact CG-CD2 3.44Å; N181-F274 WeakPolarHBondContact O-CB 3.42Å; N181-F274 WeakPolarHBondContact O-CD1 3.42Å; N181-F274 WeakPolarHBondContact O-CG 3.47Å; M184-F274 HydrophobicContact CB-CB 4.04Å; M184-F274 HydrophobicContact CE-CB 4.28Å; A185-F274 HydrophobicContact CB-CD1 3.63Å; A185-F274 HydrophobicContact CB-CE1 4.31Å; M272-F274 HydrophobicContact CB-CD2 4.21Å; M272-F274 PolarHBondContact O-N 3.05Å | ||
| 275 | A | 42.5 | Very low | 68.5 | Low | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -162 | 139.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | M184 I188 V265 | M184-A275 VanDerWaalsContact C-N 3.27Å; M184-A275 CarbonylContact C-O 3.55Å; M184-A275 CarbonylContact O-C 3.37Å; M184-A275 PolarHBondContact O-N 2.95Å; I188-A275 HydrophobicContact CD1-CB 3.63Å; I188-A275 VanDerWaalsContact CD1-N 3.33Å; I188-A275 HydrophobicContact CG1-CB 3.69Å; I188-A275 WeakPolarHBondContact CG1-O 3.38Å; I188-A275 PolarHBondContact N-O 2.85Å; V265-A275 HydrophobicContact CB-CB 4.45Å; V265-A275 HydrophobicContact CG1-CB 3.63Å | ||
| 276 | Y | 44.7 | Very low | 68.4 | Low | 84 Ų | 84 | 56.7 Ų | 56.7 | 33% | 0.329 | 28% | 0.278 | S | S | . | . | trans | 63.8 | 125.3 | 148.2 | -173.2 | -103.4 | 0 | 0 | 0 | 125 | E187 I261 V265 | E187-Y276 WeakPolarHBondContact CB-O 3.42Å; I261-Y276 HydrophobicContact CD1-CD2 3.99Å; I261-Y276 HydrophobicContact CD1-CE2 3.31Å; I261-Y276 HydrophobicContact CG1-CD2 4.4Å; I261-Y276 HydrophobicContact CG1-CE2 4.13Å; V265-Y276 VanDerWaalsContact CG2-CB 3.46Å; V265-Y276 HydrophobicContact CG2-CD1 4.42Å; V265-Y276 HydrophobicContact CG2-CD2 3.95Å; V265-Y276 HydrophobicContact CG2-CG 3.67Å | ||
| 277 | G | 51.5 | Low | 68.1 | Low | 12 Ų | 12 | 57 Ų | 57 | 12% | 0.124 | 28% | 0.28 | C | S | . | . | trans | 165.9 | 179.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | E187 I279 L280 | E187-G277 VanDerWaalsContact OE2-C 3.29Å; E187-G277 WeakPolarHBondContact OE2-CA 3.28Å; E187-G277 PolarHBondContact OE2-N 3.21Å; G277-I279 PolarHBondContact O-N 3.4Å; G277-L280 PolarHBondContact O-N 2.89Å | ||
| 278 | N | 53.7 | Low | 67.9 | Low | 104 Ų | 104 | 61.1 Ų | 61.1 | 56% | 0.556 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -25.9 | -166.8 | -75.1 | -47.4 | 0 | 0 | 0 | 113.7 | L280 R281 | N278-L280 VanDerWaalsContact C-N 3.34Å; N278-R281 VanDerWaalsContact OD1-CZ 3.3Å; N278-R281 PolarHBondContact OD1-NH1 3.38Å; N278-R281 PolarHBondContact OD1-NH2 3.47Å |
| 279 | I | 59.7 | Low | 67.9 | Low | 121 Ų | 121 | 63.9 Ų | 63.9 | 62% | 0.621 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -24.5 | 178.9 | -67.5 | 166.5 | 0 | 0 | 0 | 111 | G277 P282 | G277-I279 PolarHBondContact O-N 3.4Å; I279-P282 WeakPolarHBondContact O-CD 3.37Å; I279-P282 WeakPolarHBondContact O-CG 3.36Å |
| 280 | L | 62.7 | Low | 68.1 | Low | 6 Ų | 6 | 63 Ų | 63 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -74.1 | -30.6 | -177.1 | -73.9 | 164 | 0 | 0 | 0 | 114.5 | I183 M184 E187 G277 N278 F283 F284 | I183-L280 HydrophobicContact CB-CD2 3.5Å; I183-L280 HydrophobicContact CG2-CD2 3.24Å; I183-L280 HydrophobicContact CG2-CG 3.87Å; M184-L280 HydrophobicContact CB-CD1 4.03Å; M184-L280 HydrophobicContact CG-CD1 3.65Å; M184-L280 HydrophobicContact CG-CD2 3.79Å; M184-L280 HydrophobicContact CG-CG 4.31Å; M184-L280 HydrophobicContact SD-CD1 4.28Å; E187-L280 WeakPolarHBondContact OE2-CD1 3.38Å; E187-L280 VanDerWaalsContact OE2-CG 3.28Å; E187-L280 WeakPolarHBondContact OE2-CG 3.39Å; G277-L280 PolarHBondContact O-N 2.89Å; N278-L280 VanDerWaalsContact C-N 3.34Å; L280-F283 PolarHBondContact O-N 3.45Å; L280-F283 VanDerWaalsContact O-N 3.07Å; L280-F284 HydrophobicContact CB-CD2 4.22Å; L280-F284 HydrophobicContact CB-CE2 4.46Å; L280-F284 HydrophobicContact CD2-CE2 4.22Å; L280-F284 WeakPolarHBondContact O-CD2 3.34Å; L280-F284 PolarHBondContact O-N 3.15Å |
| 281 | R | 68.4 | Low | 68.3 | Low | 116 Ų | 116 | 62.6 Ų | 62.6 | 44% | 0.438 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -53.8 | -50.4 | -179.5 | -70 | -168.5 | -65.5 | -120.8 | -5.6 | 113 | N278 F283 F285 | N278-R281 VanDerWaalsContact OD1-CZ 3.3Å; N278-R281 PolarHBondContact OD1-NH1 3.38Å; N278-R281 PolarHBondContact OD1-NH2 3.47Å; R281-F283 VanDerWaalsContact C-N 3.33Å; R281-F283 PolarHBondContact O-N 2.86Å; R281-F285 WeakPolarHBondContact O-CB 3.33Å; R281-F285 PolarHBondContact O-N 3.34Å |
| 282 | P | 75.3 | Confident | 68.6 | Low | 81 Ų | 81 | 65.7 Ų | 65.7 | 53% | 0.526 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.8 | -32.4 | 176.2 | 24.9 | -34.7 | 0 | 0 | 0 | 113.1 | I279 F285 F286 | I279-P282 WeakPolarHBondContact O-CD 3.37Å; I279-P282 WeakPolarHBondContact O-CG 3.36Å; P282-F285 WeakPolarHBondContact O-CB 3.48Å; P282-F285 PolarHBondContact O-N 3.34Å; P282-F286 WeakPolarHBondContact O-CB 3.43Å; P282-F286 PolarHBondContact O-N 2.99Å |
| 283 | F | 77.8 | Confident | 69.5 | Low | 43 Ų | 43 | 68.4 Ų | 68.4 | 19% | 0.189 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.3 | -46.5 | 176.4 | -173.6 | -96.9 | 0 | 0 | 0 | 112.1 | L176 I179 A180 L280 R281 F285 F286 V287 | L176-F283 HydrophobicContact CD2-CE2 4.38Å; L176-F283 HydrophobicContact CD2-CZ 3.93Å; I179-F283 HydrophobicContact CB-CZ 4.07Å; I179-F283 HydrophobicContact CG2-CE1 4.22Å; I179-F283 HydrophobicContact CG2-CE2 4.07Å; I179-F283 HydrophobicContact CG2-CZ 3.64Å; A180-F283 VanDerWaalsContact CA-CE1 3.47Å; A180-F283 HydrophobicContact CB-CD1 4.09Å; A180-F283 HydrophobicContact CB-CE1 3.63Å; L280-F283 PolarHBondContact O-N 3.45Å; L280-F283 VanDerWaalsContact O-N 3.07Å; R281-F283 VanDerWaalsContact C-N 3.33Å; R281-F283 PolarHBondContact O-N 2.86Å; F283-F285 VanDerWaalsContact C-N 3.29Å; F283-F285 PolarHBondContact O-N 2.83Å; F283-F286 WeakPolarHBondContact O-CA 3.28Å; F283-F286 WeakPolarHBondContact O-CB 3.01Å; F283-F286 PolarHBondContact O-N 3.35Å; F283-F286 VanDerWaalsContact O-N 3.11Å; F283-V287 HydrophobicContact CD1-CG2 4.04Å; F283-V287 HydrophobicContact CE1-CG2 3.63Å; F283-V287 HydrophobicContact CZ-CG2 4.05Å; F283-V287 WeakPolarHBondContact O-CG2 3.35Å; F283-V287 PolarHBondContact O-N 2.89Å |
| 284 | F | 75.4 | Confident | 71.5 | Confident | 41 Ų | 41 | 66.4 Ų | 66.4 | 18% | 0.18 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 173.8 | -88.5 | -84 | 0 | 0 | 0 | 111.9 | A180 M184 L280 F286 V287 I288 | A180-F284 HydrophobicContact CB-CE1 4.3Å; A180-F284 HydrophobicContact CB-CE2 4.31Å; A180-F284 HydrophobicContact CB-CZ 3.88Å; M184-F284 HydrophobicContact CE-CE2 4.26Å; M184-F284 HydrophobicContact CE-CZ 3.76Å; M184-F284 HydrophobicContact CG-CE2 3.55Å; M184-F284 HydrophobicContact CG-CZ 3.88Å; M184-F284 HydrophobicContact SD-CE2 3.4Å; M184-F284 WeakPolarHBondContact SD-CE2 3.31Å; M184-F284 HydrophobicContact SD-CZ 3.54Å; M184-F284 VanDerWaalsContact SD-CZ 3.54Å; L280-F284 HydrophobicContact CB-CD2 4.22Å; L280-F284 HydrophobicContact CB-CE2 4.46Å; L280-F284 HydrophobicContact CD2-CE2 4.22Å; L280-F284 WeakPolarHBondContact O-CD2 3.34Å; L280-F284 PolarHBondContact O-N 3.15Å; F284-F286 VanDerWaalsContact C-N 3.33Å; F284-F286 PolarHBondContact O-N 3.37Å; F284-V287 PolarHBondContact O-N 3.37Å; F284-I288 VanDerWaalsContact O-CG1 3.26Å; F284-I288 WeakPolarHBondContact O-CG1 3.41Å; F284-I288 PolarHBondContact O-N 3.29Å |
| 285 | F | 77.4 | Confident | 73.4 | Confident | 141 Ų | 141 | 63.9 Ų | 63.9 | 62% | 0.618 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -59 | -45 | 171.6 | -179.8 | -98.4 | 0 | 0 | 0 | 111.4 | R281 P282 F283 V287 I288 V289 | R281-F285 WeakPolarHBondContact O-CB 3.33Å; R281-F285 PolarHBondContact O-N 3.34Å; P282-F285 WeakPolarHBondContact O-CB 3.48Å; P282-F285 PolarHBondContact O-N 3.34Å; F283-F285 VanDerWaalsContact C-N 3.29Å; F283-F285 PolarHBondContact O-N 2.83Å; F285-V287 PolarHBondContact O-N 3.22Å; F285-I288 PolarHBondContact O-N 2.95Å; F285-V289 HydrophobicContact CD1-CG2 4.17Å; F285-V289 HydrophobicContact CE1-CG2 3.77Å; F285-V289 HydrophobicContact CE2-CG2 4.32Å; F285-V289 HydrophobicContact CZ-CG2 3.86Å; F285-V289 WeakPolarHBondContact O-CG2 3.46Å; F285-V289 PolarHBondContact O-N 2.95Å |
| 286 | F | 83.3 | Confident | 75.6 | Confident | 113 Ų | 113 | 66.6 Ų | 66.6 | 50% | 0.496 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.7 | -45 | 174 | 173.4 | -94.8 | 0 | 0 | 0 | 112.4 | L176 P282 F283 F284 I288 V289 F290 | L176-F286 HydrophobicContact CD2-CE1 4.12Å; P282-F286 WeakPolarHBondContact O-CB 3.43Å; P282-F286 PolarHBondContact O-N 2.99Å; F283-F286 WeakPolarHBondContact O-CA 3.28Å; F283-F286 WeakPolarHBondContact O-CB 3.01Å; F283-F286 PolarHBondContact O-N 3.35Å; F283-F286 VanDerWaalsContact O-N 3.11Å; F284-F286 VanDerWaalsContact C-N 3.33Å; F284-F286 PolarHBondContact O-N 3.37Å; F286-I288 VanDerWaalsContact C-N 3.34Å; F286-I288 PolarHBondContact O-N 2.87Å; F286-V289 PolarHBondContact O-N 3.44Å; F286-F290 WeakPolarHBondContact O-CB 3.16Å; F286-F290 PolarHBondContact O-N 3.1Å |
| 287 | V | 82.9 | Confident | 77.7 | Confident | 8 Ų | 8 | 70.4 Ų | 70.4 | 5% | 0.048 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 176.2 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | L176 F283 F284 F285 F290 I291 | L176-V287 HydrophobicContact CB-CG2 4.23Å; L176-V287 HydrophobicContact CD1-CG2 4.47Å; F283-V287 HydrophobicContact CD1-CG2 4.04Å; F283-V287 HydrophobicContact CE1-CG2 3.63Å; F283-V287 HydrophobicContact CZ-CG2 4.05Å; F283-V287 WeakPolarHBondContact O-CG2 3.35Å; F283-V287 PolarHBondContact O-N 2.89Å; F284-V287 PolarHBondContact O-N 3.37Å; F285-V287 PolarHBondContact O-N 3.22Å; V287-F290 PolarHBondContact O-N 3.45Å; V287-I291 HydrophobicContact CG1-CD1 3.89Å; V287-I291 VanDerWaalsContact O-CG1 3.26Å; V287-I291 WeakPolarHBondContact O-CG1 3.35Å; V287-I291 PolarHBondContact O-N 3.04Å |
| 288 | I | 82.7 | Confident | 79.2 | Confident | 89 Ų | 89 | 70 Ų | 70 | 46% | 0.456 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 175.4 | -69.3 | 165.4 | 0 | 0 | 0 | 110.5 | F284 F285 F286 F290 I291 C292 | F284-I288 VanDerWaalsContact O-CG1 3.26Å; F284-I288 WeakPolarHBondContact O-CG1 3.41Å; F284-I288 PolarHBondContact O-N 3.29Å; F285-I288 PolarHBondContact O-N 2.95Å; F286-I288 VanDerWaalsContact C-N 3.34Å; F286-I288 PolarHBondContact O-N 2.87Å; I288-F290 VanDerWaalsContact C-N 3.34Å; I288-F290 PolarHBondContact O-N 3.22Å; I288-I291 PolarHBondContact O-N 3.39Å; I288-C292 WeakPolarHBondContact O-CB 3.15Å; I288-C292 PolarHBondContact O-N 3.36Å; I288-C292 PolarHBondContact O-SG 2.99Å; I288-C292 VanDerWaalsContact O-SG 3.33Å |
| 289 | V | 85.1 | Confident | 80.9 | Confident | 58 Ų | 58 | 65.7 Ų | 65.7 | 35% | 0.352 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 177.6 | 171.2 | 0 | 0 | 0 | 0 | 111 | F285 F286 I291 C292 T293 | F285-V289 HydrophobicContact CD1-CG2 4.17Å; F285-V289 HydrophobicContact CE1-CG2 3.77Å; F285-V289 HydrophobicContact CE2-CG2 4.32Å; F285-V289 HydrophobicContact CZ-CG2 3.86Å; F285-V289 WeakPolarHBondContact O-CG2 3.46Å; F285-V289 PolarHBondContact O-N 2.95Å; F286-V289 PolarHBondContact O-N 3.44Å; V289-I291 PolarHBondContact O-N 3.46Å; V289-C292 PolarHBondContact O-N 3.16Å; V289-T293 HydrophobicContact CG1-CG2 4.35Å; V289-T293 WeakPolarHBondContact O-CB 3.31Å; V289-T293 WeakPolarHBondContact O-CG2 3.18Å; V289-T293 PolarHBondContact O-N 3.17Å; V289-T293 PolarHBondContact O-OG1 3.1Å |
| 290 | F | 87.2 | Confident | 82.2 | Confident | 29 Ų | 29 | 64.5 Ų | 64.5 | 13% | 0.127 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.8 | -45 | 174.9 | 172.7 | -97.9 | 0 | 0 | 0 | 111.8 | F169 V172 L176 F286 V287 I288 T293 F294 G295 | F169-F290 HydrophobicContact CD2-CE1 4.01Å; F169-F290 HydrophobicContact CD2-CZ 4.24Å; F169-F290 HydrophobicContact CE2-CE1 4.02Å; V172-F290 HydrophobicContact CB-CE1 4.48Å; V172-F290 HydrophobicContact CB-CZ 3.88Å; V172-F290 HydrophobicContact CG1-CE1 3.89Å; V172-F290 HydrophobicContact CG1-CE2 3.82Å; V172-F290 HydrophobicContact CG1-CZ 3.33Å; L176-F290 HydrophobicContact CD1-CD1 3.6Å; L176-F290 HydrophobicContact CD1-CE1 3.88Å; L176-F290 HydrophobicContact CD1-CG 3.97Å; L176-F290 HydrophobicContact CD1-CZ 4.46Å; F286-F290 WeakPolarHBondContact O-CB 3.16Å; F286-F290 PolarHBondContact O-N 3.1Å; V287-F290 PolarHBondContact O-N 3.45Å; I288-F290 VanDerWaalsContact C-N 3.34Å; I288-F290 PolarHBondContact O-N 3.22Å; F290-T293 PolarHBondContact O-N 3.38Å; F290-F294 HydrophobicContact CD2-CB 3.86Å; F290-F294 HydrophobicContact CD2-CD1 4.3Å; F290-F294 HydrophobicContact CD2-CG 4.3Å; F290-F294 HydrophobicContact CE1-CD1 4.17Å; F290-F294 HydrophobicContact CE2-CB 3.72Å; F290-F294 AromaticContact CE2-CD1 3.35Å; F290-F294 HydrophobicContact CE2-CD1 3.35Å; F290-F294 HydrophobicContact CE2-CE1 4.07Å; F290-F294 AromaticContact CE2-CG 3.65Å; F290-F294 HydrophobicContact CE2-CG 3.65Å; F290-F294 HydrophobicContact CZ-CB 4.31Å; F290-F294 AromaticContact CZ-CD1 3.27Å; F290-F294 HydrophobicContact CZ-CD1 3.27Å; F290-F294 AromaticContact CZ-CE1 3.82Å; F290-F294 HydrophobicContact CZ-CE1 3.82Å; F290-F294 HydrophobicContact CZ-CG 4.06Å; F290-F294 WeakPolarHBondContact O-CA 3.19Å; F290-F294 WeakPolarHBondContact O-CB 3.3Å; F290-F294 PolarHBondContact O-N 3.43Å; F290-G295 PolarHBondContact O-N 3.05Å |
| 291 | I | 85.6 | Confident | 83.3 | Confident | 66 Ų | 66 | 65.5 Ų | 65.5 | 34% | 0.338 | 33% | 0.326 | S | S | . | . | I | π-helix | trans | -64.4 | -46.3 | 176.6 | -67.6 | 165.7 | 0 | 0 | 0 | 110.9 | L173 V287 I288 V289 T293 G295 V296 | L173-I291 HydrophobicContact CD1-CD1 4.22Å; L173-I291 HydrophobicContact CD1-CG1 4.33Å; V287-I291 HydrophobicContact CG1-CD1 3.89Å; V287-I291 VanDerWaalsContact O-CG1 3.26Å; V287-I291 WeakPolarHBondContact O-CG1 3.35Å; V287-I291 PolarHBondContact O-N 3.04Å; I288-I291 PolarHBondContact O-N 3.39Å; V289-I291 PolarHBondContact O-N 3.46Å; I291-T293 VanDerWaalsContact C-N 3.29Å; I291-T293 PolarHBondContact O-N 3.09Å; I291-G295 CarbonylContact O-C 3.09Å; I291-G295 WeakPolarHBondContact O-CA 3.45Å; I291-G295 PolarHBondContact O-N 2.81Å; I291-V296 PolarHBondContact O-N 3.05Å; I291-V296 VanDerWaalsContact O-N 3.09Å |
| 292 | C | 83.6 | Confident | 84.3 | Confident | 80 Ų | 80 | 60.2 Ų | 60.2 | 54% | 0.541 | 31% | 0.306 | S | S | . | . | I | π-helix | trans | -67.3 | -26.7 | -179.1 | -71.2 | 0 | 0 | 0 | 0 | 113.7 | I288 V289 V296 | I288-C292 WeakPolarHBondContact O-CB 3.15Å; I288-C292 PolarHBondContact O-N 3.36Å; I288-C292 PolarHBondContact O-SG 2.99Å; I288-C292 VanDerWaalsContact O-SG 3.33Å; V289-C292 PolarHBondContact O-N 3.16Å; C292-V296 WeakPolarHBondContact O-CB 3.32Å; C292-V296 WeakPolarHBondContact O-CG2 3.21Å |
| 293 | T | 88.9 | Confident | 84.9 | Confident | 86 Ų | 86 | 60.8 Ų | 60.8 | 53% | 0.528 | 30% | 0.301 | S | S | . | . | I | π-helix | trans | -100.6 | -77.1 | -178.7 | 55.2 | 0 | 0 | 0 | 0 | 110.9 | V289 F290 I291 G295 V296 Y297 | V289-T293 HydrophobicContact CG1-CG2 4.35Å; V289-T293 WeakPolarHBondContact O-CB 3.31Å; V289-T293 WeakPolarHBondContact O-CG2 3.18Å; V289-T293 PolarHBondContact O-N 3.17Å; V289-T293 PolarHBondContact O-OG1 3.1Å; F290-T293 PolarHBondContact O-N 3.38Å; I291-T293 VanDerWaalsContact C-N 3.29Å; I291-T293 PolarHBondContact O-N 3.09Å; T293-G295 PolarHBondContact O-N 3.05Å; T293-V296 PolarHBondContact O-N 3.12Å; T293-Y297 WeakPolarHBondContact O-CB 3.17Å; T293-Y297 PolarHBondContact O-N 2.89Å |
| 294 | F | 88.5 | Confident | 85.4 | Confident | 57 Ų | 57 | 65.7 Ų | 65.7 | 25% | 0.25 | 32% | 0.322 | C | S | . | . | I | π-helix | trans | -63.4 | -43 | -178.3 | -175 | -98 | 0 | 0 | 0 | 111.7 | L165 V168 F169 F290 V296 Y297 S298 | L165-F294 HydrophobicContact CD1-CE2 3.59Å; L165-F294 HydrophobicContact CD1-CZ 3.47Å; L165-F294 VanDerWaalsContact CD1-CZ 3.47Å; L165-F294 HydrophobicContact CG-CZ 4.34Å; V168-F294 HydrophobicContact CG1-CZ 4.23Å; F169-F294 HydrophobicContact CB-CD1 4.46Å; F169-F294 HydrophobicContact CB-CE1 3.86Å; F169-F294 AromaticContact CD2-CD1 3.91Å; F169-F294 HydrophobicContact CD2-CD1 3.91Å; F169-F294 HydrophobicContact CD2-CE1 4.14Å; F290-F294 HydrophobicContact CD2-CB 3.86Å; F290-F294 HydrophobicContact CD2-CD1 4.3Å; F290-F294 HydrophobicContact CD2-CG 4.3Å; F290-F294 HydrophobicContact CE1-CD1 4.17Å; F290-F294 HydrophobicContact CE2-CB 3.72Å; F290-F294 AromaticContact CE2-CD1 3.35Å; F290-F294 HydrophobicContact CE2-CD1 3.35Å; F290-F294 HydrophobicContact CE2-CE1 4.07Å; F290-F294 AromaticContact CE2-CG 3.65Å; F290-F294 HydrophobicContact CE2-CG 3.65Å; F290-F294 HydrophobicContact CZ-CB 4.31Å; F290-F294 AromaticContact CZ-CD1 3.27Å; F290-F294 HydrophobicContact CZ-CD1 3.27Å; F290-F294 AromaticContact CZ-CE1 3.82Å; F290-F294 HydrophobicContact CZ-CE1 3.82Å; F290-F294 HydrophobicContact CZ-CG 4.06Å; F290-F294 WeakPolarHBondContact O-CA 3.19Å; F290-F294 WeakPolarHBondContact O-CB 3.3Å; F290-F294 PolarHBondContact O-N 3.43Å; F294-V296 PolarHBondContact O-N 3.38Å; F294-Y297 PolarHBondContact O-N 2.97Å; F294-S298 WeakPolarHBondContact O-CB 3.5Å; F294-S298 PolarHBondContact O-N 3.18Å; F294-S298 PolarHBondContact O-OG 3.28Å |
| 295 | G | 85.6 | Confident | 86 | Confident | 6 Ų | 6 | 64.6 Ų | 64.6 | 6% | 0.062 | 32% | 0.318 | C | S | . | . | I | π-helix | trans | -63.2 | -39.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | F290 I291 T293 S298 N299 | F290-G295 PolarHBondContact O-N 3.05Å; I291-G295 CarbonylContact O-C 3.09Å; I291-G295 WeakPolarHBondContact O-CA 3.45Å; I291-G295 PolarHBondContact O-N 2.81Å; T293-G295 PolarHBondContact O-N 3.05Å; G295-S298 PolarHBondContact O-OG 2.93Å; G295-N299 WeakPolarHBondContact O-CB 3.37Å; G295-N299 PolarHBondContact O-N 2.83Å; G295-N299 PolarHBondContact O-ND2 3.46Å |
| 296 | V | 88.4 | Confident | 86.6 | Confident | 57 Ų | 57 | 59.4 Ų | 59.4 | 35% | 0.345 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67 | -47 | 174.1 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | I291 C292 T293 F294 S298 N299 L300 F303 | I291-V296 PolarHBondContact O-N 3.05Å; I291-V296 VanDerWaalsContact O-N 3.09Å; C292-V296 WeakPolarHBondContact O-CB 3.32Å; C292-V296 WeakPolarHBondContact O-CG2 3.21Å; T293-V296 PolarHBondContact O-N 3.12Å; F294-V296 PolarHBondContact O-N 3.38Å; V296-S298 PolarHBondContact O-N 3.2Å; V296-N299 CarbonylContact O-C 3.42Å; V296-N299 PolarHBondContact O-N 3.44Å; V296-L300 HydrophobicContact CG1-CD2 4.14Å; V296-L300 WeakPolarHBondContact O-CD2 3.21Å; V296-L300 WeakPolarHBondContact O-CG 3.3Å; V296-L300 PolarHBondContact O-N 2.93Å; V296-F303 HydrophobicContact CG1-CE2 3.97Å; V296-F303 HydrophobicContact CG1-CZ 4.23Å; V296-F303 HydrophobicContact CG2-CZ 4.43Å |
| 297 | Y | 87.6 | Confident | 87 | Confident | 164 Ų | 164 | 56.6 Ų | 56.6 | 64% | 0.643 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60.9 | -43.2 | 178.8 | 179.1 | -103.1 | 0 | 0 | 0 | 112.2 | L165 T293 F294 N299 | L165-Y297 HydrophobicContact CD2-CD1 3.91Å; L165-Y297 HydrophobicContact CD2-CE1 3.84Å; T293-Y297 WeakPolarHBondContact O-CB 3.17Å; T293-Y297 PolarHBondContact O-N 2.89Å; F294-Y297 PolarHBondContact O-N 2.97Å; Y297-N299 VanDerWaalsContact C-N 3.3Å; Y297-N299 PolarHBondContact O-N 3.41Å |
| 298 | S | 84.4 | Confident | 87.5 | Confident | 5 Ų | 5 | 62.2 Ų | 62.2 | 4% | 0.035 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -73.3 | -19.7 | -179.2 | 63.6 | 0 | 0 | 0 | 0 | 114.2 | F294 G295 V296 | F294-S298 WeakPolarHBondContact O-CB 3.5Å; F294-S298 PolarHBondContact O-N 3.18Å; F294-S298 PolarHBondContact O-OG 3.28Å; G295-S298 PolarHBondContact O-OG 2.93Å; V296-S298 PolarHBondContact O-N 3.2Å |
| 299 | N | 87.8 | Confident | 88 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 6% | 0.064 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | 33.6 | -172.7 | -60.2 | -77.6 | 0 | 0 | 0 | 113.3 | F169 G295 V296 Y297 Y301 M302 | F169-N299 VanDerWaalsContact CD1-ND2 3.31Å; F169-N299 WeakPolarHBondContact CD1-ND2 3.18Å; F169-N299 WeakPolarHBondContact CE1-ND2 3.43Å; G295-N299 WeakPolarHBondContact O-CB 3.37Å; G295-N299 PolarHBondContact O-N 2.83Å; G295-N299 PolarHBondContact O-ND2 3.46Å; V296-N299 CarbonylContact O-C 3.42Å; V296-N299 PolarHBondContact O-N 3.44Å; Y297-N299 VanDerWaalsContact C-N 3.3Å; Y297-N299 PolarHBondContact O-N 3.41Å; N299-Y301 HydrophobicContact CB-CE1 4.12Å; N299-Y301 PolarHBondContact O-N 2.84Å; N299-M302 HydrophobicContact CB-CE 3.82Å; N299-M302 HydrophobicContact CB-CG 3.98Å; N299-M302 HydrophobicContact CB-SD 3.75Å; N299-M302 WeakPolarHBondContact O-CB 3.4Å; N299-M302 WeakPolarHBondContact O-CG 3.31Å; N299-M302 PolarHBondContact O-N 3.44Å |
| 300 | L | 88.2 | Confident | 88.4 | Confident | 96 Ų | 96 | 60.9 Ų | 60.9 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -25.8 | 179.2 | -72.5 | 175.9 | 0 | 0 | 0 | 113.8 | V296 M302 F303 | V296-L300 HydrophobicContact CG1-CD2 4.14Å; V296-L300 WeakPolarHBondContact O-CD2 3.21Å; V296-L300 WeakPolarHBondContact O-CG 3.3Å; V296-L300 PolarHBondContact O-N 2.93Å; L300-M302 PolarHBondContact O-N 3.26Å; L300-F303 HydrophobicContact CD2-CD2 4.39Å; L300-F303 HydrophobicContact CD2-CE2 4.45Å; L300-F303 PolarHBondContact O-N 3.47Å |
| 301 | Y | 86.2 | Confident | 88.8 | Confident | 27 Ų | 27 | 61.9 Ų | 61.9 | 11% | 0.106 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.5 | -32.3 | 175.6 | 77.9 | -94.8 | 0 | 0 | 0 | 112.5 | L129 N299 F303 K304 V305 D368 | L129-Y301 HydrophobicContact CD2-CD2 3.39Å; L129-Y301 HydrophobicContact CD2-CE2 3.9Å; L129-Y301 HydrophobicContact CD2-CG 4.14Å; N299-Y301 HydrophobicContact CB-CE1 4.12Å; N299-Y301 PolarHBondContact O-N 2.84Å; Y301-F303 PolarHBondContact O-N 3.1Å; Y301-K304 WeakPolarHBondContact O-CA 3.3Å; Y301-K304 WeakPolarHBondContact O-CB 3.35Å; Y301-K304 PolarHBondContact O-N 2.9Å; Y301-V305 HydrophobicContact CD2-CG2 4.24Å; Y301-V305 PolarHBondContact O-N 2.91Å; Y301-D368 HydrophobicContact CE2-CB 4.16Å; Y301-D368 PolarHBondContact OH-OD1 3.08Å |
| 302 | M | 89.2 | Confident | 89.3 | Confident | 6 Ų | 6 | 63.4 Ų | 63.4 | 3% | 0.03 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59 | -37.6 | -176.1 | -67.3 | -174.8 | 178.3 | 0 | 0 | 110.7 | N299 L300 K304 V305 M306 V372 V375 | N299-M302 HydrophobicContact CB-CE 3.82Å; N299-M302 HydrophobicContact CB-CG 3.98Å; N299-M302 HydrophobicContact CB-SD 3.75Å; N299-M302 WeakPolarHBondContact O-CB 3.4Å; N299-M302 WeakPolarHBondContact O-CG 3.31Å; N299-M302 PolarHBondContact O-N 3.44Å; L300-M302 PolarHBondContact O-N 3.26Å; M302-K304 VanDerWaalsContact C-N 3.27Å; M302-K304 PolarHBondContact O-N 3.48Å; M302-V305 WeakPolarHBondContact O-CB 3.38Å; M302-V305 PolarHBondContact O-N 3.27Å; M302-V305 VanDerWaalsContact O-N 3.08Å; M302-M306 VanDerWaalsContact O-CG 3.3Å; M302-M306 WeakPolarHBondContact O-CG 3.16Å; M302-M306 PolarHBondContact O-N 2.92Å; M302-M306 VanDerWaalsContact O-N 3.08Å; M302-V372 HydrophobicContact CB-CG2 4.07Å; M302-V372 HydrophobicContact CG-CG2 4Å; M302-V375 HydrophobicContact SD-CB 4.45Å; M302-V375 HydrophobicContact SD-CG2 3.74Å |
| 303 | F | 87.6 | Confident | 89.8 | Confident | 92 Ų | 92 | 59.8 Ų | 59.8 | 40% | 0.404 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.4 | -28 | 176.4 | -61.1 | -78.1 | 0 | 0 | 0 | 113.3 | V296 L300 Y301 M306 | V296-F303 HydrophobicContact CG1-CE2 3.97Å; V296-F303 HydrophobicContact CG1-CZ 4.23Å; V296-F303 HydrophobicContact CG2-CZ 4.43Å; L300-F303 HydrophobicContact CD2-CD2 4.39Å; L300-F303 HydrophobicContact CD2-CE2 4.45Å; L300-F303 PolarHBondContact O-N 3.47Å; Y301-F303 PolarHBondContact O-N 3.1Å; F303-M306 HydrophobicContact CD1-CE 3.89Å; F303-M306 HydrophobicContact CD1-SD 3.95Å; F303-M306 HydrophobicContact CE1-CE 4.03Å |
| 304 | K | 87.1 | Confident | 90.1 | Very high | 147 Ų | 147 | 55.7 Ų | 55.7 | 64% | 0.639 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -77.2 | -23.6 | 174.6 | -61.3 | -179.1 | -179.4 | 176.6 | 0 | 112.8 | F128 Y301 M302 | F128-K304 HydrophobicContact CE2-CB 4.08Å; F128-K304 HydrophobicContact CE2-CD 4.26Å; F128-K304 HydrophobicContact CZ-CB 3.79Å; Y301-K304 WeakPolarHBondContact O-CA 3.3Å; Y301-K304 WeakPolarHBondContact O-CB 3.35Å; Y301-K304 PolarHBondContact O-N 2.9Å; M302-K304 VanDerWaalsContact C-N 3.27Å; M302-K304 PolarHBondContact O-N 3.48Å |
| 305 | V | 88.2 | Confident | 90.4 | Very high | 17 Ų | 17 | 55.3 Ų | 55.3 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -81.8 | -27.5 | 174.8 | -175 | 0 | 0 | 0 | 0 | 111.2 | F128 L129 M234 Y301 M302 T307 V372 | F128-V305 HydrophobicContact CE1-CG2 3.75Å; F128-V305 HydrophobicContact CZ-CG2 3.66Å; L129-V305 HydrophobicContact CD1-CG2 4.06Å; L129-V305 HydrophobicContact CD2-CG2 4.16Å; L129-V305 HydrophobicContact CG-CG2 4.39Å; M234-V305 HydrophobicContact CE-CG1 3.84Å; Y301-V305 HydrophobicContact CD2-CG2 4.24Å; Y301-V305 PolarHBondContact O-N 2.91Å; M302-V305 WeakPolarHBondContact O-CB 3.38Å; M302-V305 PolarHBondContact O-N 3.27Å; M302-V305 VanDerWaalsContact O-N 3.08Å; V305-T307 PolarHBondContact O-N 2.77Å; V305-T307 VanDerWaalsContact O-N 3.16Å; V305-V372 HydrophobicContact CB-CG2 4.03Å; V305-V372 HydrophobicContact CG1-CG2 4.02Å; V305-V372 HydrophobicContact CG2-CG2 4.44Å |
| 306 | M | 90.9 | Very high | 90.8 | Very high | 33 Ų | 33 | 57.2 Ų | 57.2 | 16% | 0.163 | 28% | 0.279 | C | S | . | . | trans | -57 | 121 | 179.8 | -63.4 | -167.9 | 180 | 0 | 0 | 111.1 | M302 F303 L311 V372 V375 I376 | M302-M306 VanDerWaalsContact O-CG 3.3Å; M302-M306 WeakPolarHBondContact O-CG 3.16Å; M302-M306 PolarHBondContact O-N 2.92Å; M302-M306 VanDerWaalsContact O-N 3.08Å; F303-M306 HydrophobicContact CD1-CE 3.89Å; F303-M306 HydrophobicContact CD1-SD 3.95Å; F303-M306 HydrophobicContact CE1-CE 4.03Å; M306-L311 HydrophobicContact CB-CD2 4.5Å; M306-L311 HydrophobicContact SD-CD2 3.97Å; M306-V372 HydrophobicContact CE-CG1 4.44Å; M306-V372 HydrophobicContact CG-CG1 3.96Å; M306-V375 HydrophobicContact CE-CG1 4.1Å; M306-I376 HydrophobicContact CE-CD1 4.41Å; M306-I376 HydrophobicContact CE-CG1 3.59Å; M306-I376 HydrophobicContact CG-CD1 3.96Å; M306-I376 HydrophobicContact CG-CG1 4.14Å; M306-I376 HydrophobicContact SD-CD1 4.27Å; M306-I376 HydrophobicContact SD-CG1 3.86Å | ||
| 307 | T | 91.3 | Very high | 91.1 | Very high | 53 Ų | 53 | 54.5 Ų | 54.5 | 33% | 0.325 | 26% | 0.262 | S | S | . | . | trans | -108.4 | 159.9 | 171.4 | 62 | 0 | 0 | 0 | 0 | 109.3 | V305 R309 A310 L311 | V305-T307 PolarHBondContact O-N 2.77Å; V305-T307 VanDerWaalsContact O-N 3.16Å; T307-R309 PolarHBondContact O-N 2.89Å; T307-A310 WeakPolarHBondContact O-CA 3.49Å; T307-A310 WeakPolarHBondContact O-CB 3.39Å; T307-A310 PolarHBondContact O-N 2.91Å; T307-A310 WeakPolarHBondContact OG1-CB 3.45Å; T307-A310 PolarHBondContact OG1-N 3.33Å; T307-L311 WeakPolarHBondContact O-CG 3.3Å; T307-L311 PolarHBondContact O-N 3.3Å | ||
| 308 | L | 93.1 | Very high | 91.5 | Very high | 127 Ų | 127 | 46.7 Ų | 46.7 | 67% | 0.665 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -54.8 | -38.3 | 174.9 | -179.4 | 60.7 | 0 | 0 | 0 | 112.1 | A310 L311 L312 | L308-A310 PolarHBondContact O-N 3.32Å; L308-L311 PolarHBondContact O-N 3.04Å; L308-L312 HydrophobicContact CD1-CD1 4.41Å; L308-L312 HydrophobicContact CD1-CG 4.26Å; L308-L312 HydrophobicContact CG-CD1 4.13Å; L308-L312 HydrophobicContact CG-CG 4.41Å; L308-L312 VanDerWaalsContact O-CG 3.29Å; L308-L312 WeakPolarHBondContact O-CG 3.3Å; L308-L312 PolarHBondContact O-N 3.35Å |
| 309 | R | 92.7 | Very high | 92 | Very high | 118 Ų | 118 | 51.9 Ų | 51.9 | 45% | 0.445 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 176.2 | -65.7 | 179.7 | -176.6 | 166 | -1.1 | 112 | T307 L312 A313 | T307-R309 PolarHBondContact O-N 2.89Å; R309-L312 PolarHBondContact O-N 2.77Å; R309-A313 VanDerWaalsContact O-CB 3.31Å; R309-A313 WeakPolarHBondContact O-CB 3.45Å; R309-A313 PolarHBondContact O-N 2.98Å |
| 310 | A | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F226 M234 T307 L308 A313 G314 M373 I376 | F226-A310 HydrophobicContact CE1-CB 4.34Å; F226-A310 HydrophobicContact CZ-CB 4.37Å; M234-A310 HydrophobicContact CE-CB 3.96Å; T307-A310 WeakPolarHBondContact O-CA 3.49Å; T307-A310 WeakPolarHBondContact O-CB 3.39Å; T307-A310 PolarHBondContact O-N 2.91Å; T307-A310 WeakPolarHBondContact OG1-CB 3.45Å; T307-A310 PolarHBondContact OG1-N 3.33Å; L308-A310 PolarHBondContact O-N 3.32Å; A310-A313 PolarHBondContact O-N 2.91Å; A310-G314 PolarHBondContact O-N 3.08Å; A310-M373 HydrophobicContact CB-CE 3.4Å; A310-M373 VanDerWaalsContact CB-CE 3.4Å; A310-M373 HydrophobicContact CB-SD 4.23Å; A310-I376 HydrophobicContact CB-CD1 3.74Å |
| 311 | L | 95.7 | Very high | 92.8 | Very high | 50 Ų | 50 | 50.7 Ų | 50.7 | 26% | 0.262 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.9 | -46.3 | 176 | -66.4 | 172.9 | 0 | 0 | 0 | 111.7 | M306 T307 L308 G314 L315 I376 F380 | M306-L311 HydrophobicContact CB-CD2 4.5Å; M306-L311 HydrophobicContact SD-CD2 3.97Å; T307-L311 WeakPolarHBondContact O-CG 3.3Å; T307-L311 PolarHBondContact O-N 3.3Å; L308-L311 PolarHBondContact O-N 3.04Å; L311-G314 PolarHBondContact O-N 3.29Å; L311-L315 VanDerWaalsContact O-CB 3.31Å; L311-L315 WeakPolarHBondContact O-CB 3.45Å; L311-L315 PolarHBondContact O-N 3.08Å; L311-I376 HydrophobicContact CD2-CD1 4.33Å; L311-I376 HydrophobicContact CD2-CG1 4.33Å; L311-I376 HydrophobicContact CD2-CG2 4.09Å; L311-F380 HydrophobicContact CB-CE2 4.21Å; L311-F380 HydrophobicContact CB-CZ 4.42Å; L311-F380 HydrophobicContact CD2-CE2 3.99Å; L311-F380 HydrophobicContact CD2-CZ 4.32Å; L311-F380 WeakPolarHBondContact O-CE2 3.03Å |
| 312 | L | 95.5 | Very high | 93.2 | Very high | 98 Ų | 98 | 50.1 Ų | 50.1 | 51% | 0.513 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64 | -43.8 | 177.5 | -67.9 | 174 | 0 | 0 | 0 | 111.8 | L308 R309 L315 C316 | L308-L312 HydrophobicContact CD1-CD1 4.41Å; L308-L312 HydrophobicContact CD1-CG 4.26Å; L308-L312 HydrophobicContact CG-CD1 4.13Å; L308-L312 HydrophobicContact CG-CG 4.41Å; L308-L312 VanDerWaalsContact O-CG 3.29Å; L308-L312 WeakPolarHBondContact O-CG 3.3Å; L308-L312 PolarHBondContact O-N 3.35Å; R309-L312 PolarHBondContact O-N 2.77Å; L312-L315 PolarHBondContact O-N 3.16Å; L312-C316 PolarHBondContact O-N 2.93Å; L312-C316 PolarHBondContact O-SG 2.89Å |
| 313 | A | 94.6 | Very high | 93.6 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 3% | 0.033 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V221 A225 F226 R309 A310 L315 C316 V317 | V221-A313 HydrophobicContact CG1-CB 3.68Å; A225-A313 HydrophobicContact CB-CB 3.9Å; F226-A313 HydrophobicContact CE2-CB 3.73Å; F226-A313 HydrophobicContact CZ-CB 3.7Å; R309-A313 VanDerWaalsContact O-CB 3.31Å; R309-A313 WeakPolarHBondContact O-CB 3.45Å; R309-A313 PolarHBondContact O-N 2.98Å; A310-A313 PolarHBondContact O-N 2.91Å; A313-L315 VanDerWaalsContact C-N 3.29Å; A313-L315 PolarHBondContact O-N 3.05Å; A313-C316 PolarHBondContact O-N 2.84Å; A313-V317 PolarHBondContact O-N 2.89Å |
| 314 | G | 94.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.9 | -25 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A310 L311 P318 | A310-G314 PolarHBondContact O-N 3.08Å; L311-G314 PolarHBondContact O-N 3.29Å; G314-P318 WeakPolarHBondContact O-CD 3.42Å |
| 315 | L | 95 | Very high | 94.4 | Very high | 49 Ų | 49 | 42 Ų | 42 | 26% | 0.257 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -70.1 | -45 | 168.3 | 178.9 | 150.6 | 0 | 0 | 0 | 111.5 | L311 L312 A313 V317 P318 W319 F380 | L311-L315 VanDerWaalsContact O-CB 3.31Å; L311-L315 WeakPolarHBondContact O-CB 3.45Å; L311-L315 PolarHBondContact O-N 3.08Å; L312-L315 PolarHBondContact O-N 3.16Å; A313-L315 VanDerWaalsContact C-N 3.29Å; A313-L315 PolarHBondContact O-N 3.05Å; L315-V317 VanDerWaalsContact C-N 3.35Å; L315-V317 PolarHBondContact O-N 2.79Å; L315-P318 WeakPolarHBondContact O-CD 3.28Å; L315-W319 HydrophobicContact CD2-CD2 4.27Å; L315-W319 HydrophobicContact CD2-CG 4.22Å; L315-W319 HydrophobicContact CG-CG 4.49Å; L315-W319 WeakPolarHBondContact O-CB 3.31Å; L315-W319 PolarHBondContact O-N 3.23Å; L315-F380 HydrophobicContact CB-CB 4.33Å; L315-F380 HydrophobicContact CB-CD1 4.23Å; L315-F380 HydrophobicContact CB-CD2 3.85Å; L315-F380 HydrophobicContact CB-CE2 4.18Å; L315-F380 HydrophobicContact CB-CG 3.88Å; L315-F380 HydrophobicContact CD1-CD1 3.87Å; L315-F380 HydrophobicContact CD1-CE1 3.93Å; L315-F380 HydrophobicContact CD1-CG 4.37Å; L315-F380 HydrophobicContact CD1-CZ 4.45Å; L315-F380 HydrophobicContact CG-CD1 4.28Å; L315-F380 HydrophobicContact CG-CG 4.3Å |
| 316 | C | 95.2 | Very high | 94.8 | Very high | 47 Ų | 47 | 45 Ų | 45 | 32% | 0.318 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.3 | -39.7 | -176.2 | -75.7 | 0 | 0 | 0 | 0 | 112.9 | V221 L312 A313 W319 L320 | V221-C316 HydrophobicContact CG2-CB 4.17Å; L312-C316 PolarHBondContact O-N 2.93Å; L312-C316 PolarHBondContact O-SG 2.89Å; A313-C316 PolarHBondContact O-N 2.84Å; C316-W319 PolarHBondContact O-N 3.28Å; C316-L320 HydrophobicContact CB-CD1 4.15Å; C316-L320 WeakPolarHBondContact O-CB 3.25Å; C316-L320 WeakPolarHBondContact O-CG 3.37Å; C316-L320 PolarHBondContact O-N 2.98Å |
| 317 | V | 94.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57 | -60.3 | -175.8 | 173.7 | 0 | 0 | 0 | 0 | 113.1 | M214 V221 V238 A313 L315 W319 G321 V377 | M214-V317 HydrophobicContact CE-CG1 3.71Å; V221-V317 HydrophobicContact CB-CG2 4.43Å; V221-V317 HydrophobicContact CG1-CG2 4.29Å; V221-V317 HydrophobicContact CG2-CG2 4.41Å; V238-V317 HydrophobicContact CG2-CG2 3.42Å; V238-V317 VanDerWaalsContact CG2-CG2 3.42Å; A313-V317 PolarHBondContact O-N 2.89Å; L315-V317 VanDerWaalsContact C-N 3.35Å; L315-V317 PolarHBondContact O-N 2.79Å; V317-W319 VanDerWaalsContact C-N 3.34Å; V317-W319 PolarHBondContact O-N 3.43Å; V317-G321 PolarHBondContact O-N 3.36Å; V317-V377 HydrophobicContact CB-CG2 4.34Å |
| 318 | P | 94.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.5 | -38.1 | -179.4 | 22.3 | -29 | 0 | 0 | 0 | 111.7 | G314 L315 G321 F322 G347 V377 F380 | G314-P318 WeakPolarHBondContact O-CD 3.42Å; L315-P318 WeakPolarHBondContact O-CD 3.28Å; P318-G321 PolarHBondContact O-N 3.48Å; P318-F322 HydrophobicContact CB-CD2 4.46Å; P318-F322 HydrophobicContact CB-CE2 4.03Å; P318-F322 WeakPolarHBondContact O-CD2 3.31Å; P318-F322 WeakPolarHBondContact O-CG 3.48Å; P318-F322 PolarHBondContact O-N 3.23Å; P318-G347 WeakPolarHBondContact CB-O 3.21Å; P318-V377 HydrophobicContact CG-CG1 4.32Å; P318-F380 HydrophobicContact CG-CB 4.46Å |
| 319 | W | 95.7 | Very high | 95.5 | Very high | 113 Ų | 113 | 39.5 Ų | 39.5 | 43% | 0.428 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.6 | -45 | -178.8 | -76.4 | 56.4 | 0 | 0 | 0 | 112.6 | L315 C316 V317 G321 F322 A323 V383 P384 | L315-W319 HydrophobicContact CD2-CD2 4.27Å; L315-W319 HydrophobicContact CD2-CG 4.22Å; L315-W319 HydrophobicContact CG-CG 4.49Å; L315-W319 WeakPolarHBondContact O-CB 3.31Å; L315-W319 PolarHBondContact O-N 3.23Å; C316-W319 PolarHBondContact O-N 3.28Å; V317-W319 VanDerWaalsContact C-N 3.34Å; V317-W319 PolarHBondContact O-N 3.43Å; W319-G321 VanDerWaalsContact C-N 3.31Å; W319-F322 PolarHBondContact O-N 3.39Å; W319-A323 VanDerWaalsContact O-CB 3.3Å; W319-A323 WeakPolarHBondContact O-CB 3.29Å; W319-A323 PolarHBondContact O-N 3.45Å; W319-V383 HydrophobicContact CZ2-CG1 4.1Å; W319-P384 HydrophobicContact CD2-CG 3.85Å; W319-P384 VanDerWaalsContact CE2-CG 3.42Å; W319-P384 HydrophobicContact CG-CG 3.99Å; W319-P384 HydrophobicContact CZ2-CG 3.9Å; W319-P384 VanDerWaalsContact NE1-CG 3.25Å |
| 320 | L | 96.3 | Very high | 95.7 | Very high | 83 Ų | 83 | 39.5 Ų | 39.5 | 44% | 0.435 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -68.3 | -33.2 | 174 | -67.7 | 174.7 | 0 | 0 | 0 | 111.2 | I217 V221 C316 G324 | I217-L320 HydrophobicContact CD1-CB 4.17Å; I217-L320 HydrophobicContact CG2-CB 3.76Å; I217-L320 HydrophobicContact CG2-CD1 3.99Å; V221-L320 HydrophobicContact CG2-CD1 4.4Å; C316-L320 HydrophobicContact CB-CD1 4.15Å; C316-L320 WeakPolarHBondContact O-CB 3.25Å; C316-L320 WeakPolarHBondContact O-CG 3.37Å; C316-L320 PolarHBondContact O-N 2.98Å; L320-G324 WeakPolarHBondContact O-CA 3.4Å; L320-G324 PolarHBondContact O-N 3.2Å |
| 321 | G | 95.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.7 | -52 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | M214 V317 P318 W319 A323 G324 G325 T346 | M214-G321 WeakPolarHBondContact SD-CA 3.44Å; V317-G321 PolarHBondContact O-N 3.36Å; P318-G321 PolarHBondContact O-N 3.48Å; W319-G321 VanDerWaalsContact C-N 3.31Å; G321-A323 PolarHBondContact O-N 2.91Å; G321-G324 PolarHBondContact O-N 3.42Å; G321-G325 PolarHBondContact O-N 2.88Å; G321-T346 WeakPolarHBondContact O-CB 3.31Å; G321-T346 WeakPolarHBondContact O-CG2 3.49Å |
| 322 | F | 96 | Very high | 95.9 | Very high | 16 Ų | 16 | 47.5 Ų | 47.5 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.6 | -49.8 | 175.6 | -69.6 | -56.7 | 0 | 0 | 0 | 111.4 | P318 W319 M326 S343 L344 I348 T381 P384 V385 | P318-F322 HydrophobicContact CB-CD2 4.46Å; P318-F322 HydrophobicContact CB-CE2 4.03Å; P318-F322 WeakPolarHBondContact O-CD2 3.31Å; P318-F322 WeakPolarHBondContact O-CG 3.48Å; P318-F322 PolarHBondContact O-N 3.23Å; W319-F322 PolarHBondContact O-N 3.39Å; F322-M326 VanDerWaalsContact O-CB 3.25Å; F322-M326 WeakPolarHBondContact O-CB 3.05Å; F322-M326 PolarHBondContact O-N 2.91Å; F322-S343 VanDerWaalsContact CD1-O 3.3Å; F322-S343 WeakPolarHBondContact CD1-O 3.42Å; F322-S343 PolarHBondContact O-OG 3.18Å; F322-L344 HydrophobicContact CD1-CD2 4.39Å; F322-L344 HydrophobicContact CE1-CD2 3.93Å; F322-I348 HydrophobicContact CE1-CD1 4.33Å; F322-I348 HydrophobicContact CE1-CG1 3.78Å; F322-I348 HydrophobicContact CZ-CG1 3.72Å; F322-T381 HydrophobicContact CZ-CG2 4.09Å; F322-P384 HydrophobicContact CD2-CB 3.9Å; F322-P384 HydrophobicContact CD2-CG 3.89Å; F322-P384 HydrophobicContact CE2-CB 4Å; F322-P384 HydrophobicContact CE2-CG 3.88Å; F322-V385 HydrophobicContact CE1-CG2 4.04Å; F322-V385 HydrophobicContact CE2-CG2 4.35Å; F322-V385 HydrophobicContact CZ-CG2 3.67Å |
| 323 | A | 96.2 | Very high | 95.9 | Very high | 56 Ų | 56 | 53.7 Ų | 53.7 | 46% | 0.463 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.8 | -43.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | W319 G321 M326 A327 | W319-A323 VanDerWaalsContact O-CB 3.3Å; W319-A323 WeakPolarHBondContact O-CB 3.29Å; W319-A323 PolarHBondContact O-N 3.45Å; G321-A323 PolarHBondContact O-N 2.91Å; A323-M326 PolarHBondContact O-N 3.4Å; A323-A327 WeakPolarHBondContact O-CB 3.17Å; A323-A327 PolarHBondContact O-N 3.07Å |
| 324 | G | 95.9 | Very high | 96 | Very high | 19 Ų | 19 | 54.9 Ų | 54.9 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.3 | -46.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | L320 G321 M326 A327 L328 | L320-G324 WeakPolarHBondContact O-CA 3.4Å; L320-G324 PolarHBondContact O-N 3.2Å; G321-G324 PolarHBondContact O-N 3.42Å; G324-M326 PolarHBondContact O-N 3.08Å; G324-A327 PolarHBondContact O-N 3.07Å; G324-L328 WeakPolarHBondContact O-CB 3.35Å; G324-L328 PolarHBondContact O-N 3.38Å |
| 325 | G | 96.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62 | -41.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G321 A329 | G321-G325 PolarHBondContact O-N 2.88Å; G325-A329 VanDerWaalsContact O-CB 3.26Å; G325-A329 WeakPolarHBondContact O-CB 3.43Å; G325-A329 PolarHBondContact O-N 3.48Å |
| 326 | M | 96.7 | Very high | 96.1 | Very high | 78 Ų | 78 | 67 Ų | 67 | 38% | 0.384 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.4 | -50.1 | 174.9 | 179.8 | 170 | -70.9 | 0 | 0 | 111.8 | F322 A323 G324 L328 A329 M330 V339 | F322-M326 VanDerWaalsContact O-CB 3.25Å; F322-M326 WeakPolarHBondContact O-CB 3.05Å; F322-M326 PolarHBondContact O-N 2.91Å; A323-M326 PolarHBondContact O-N 3.4Å; G324-M326 PolarHBondContact O-N 3.08Å; M326-L328 PolarHBondContact O-N 3.47Å; M326-A329 PolarHBondContact O-N 3.49Å; M326-M330 HydrophobicContact CG-CG 4.38Å; M326-M330 HydrophobicContact CG-SD 3.79Å; M326-M330 WeakPolarHBondContact O-CB 3.42Å; M326-M330 VanDerWaalsContact O-CG 3.27Å; M326-M330 WeakPolarHBondContact O-CG 3.28Å; M326-M330 PolarHBondContact O-N 3Å; M326-M330 HydrophobicContact SD-SD 4.46Å; M326-V339 HydrophobicContact CB-CG1 4.45Å; M326-V339 HydrophobicContact CG-CG1 3.81Å |
| 327 | A | 97.2 | Very high | 96.1 | Very high | 58 Ų | 58 | 66.5 Ų | 66.5 | 48% | 0.479 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61 | -44.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A323 G324 M330 L331 | A323-A327 WeakPolarHBondContact O-CB 3.17Å; A323-A327 PolarHBondContact O-N 3.07Å; G324-A327 PolarHBondContact O-N 3.07Å; A327-M330 PolarHBondContact O-N 3.42Å; A327-L331 VanDerWaalsContact O-CB 3.27Å; A327-L331 WeakPolarHBondContact O-CB 3.4Å; A327-L331 PolarHBondContact O-N 3.14Å |
| 328 | L | 96.6 | Very high | 96.2 | Very high | 41 Ų | 41 | 67.6 Ų | 67.6 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 178.6 | -173.9 | 59.9 | 0 | 0 | 0 | 111.8 | I205 F208 G324 M326 M330 L331 L332 | I205-L328 HydrophobicContact CG2-CD2 3.95Å; I205-L328 HydrophobicContact CG2-CG 4Å; F208-L328 HydrophobicContact CD1-CD2 3.74Å; F208-L328 HydrophobicContact CE1-CD2 4.13Å; G324-L328 WeakPolarHBondContact O-CB 3.35Å; G324-L328 PolarHBondContact O-N 3.38Å; M326-L328 PolarHBondContact O-N 3.47Å; L328-M330 VanDerWaalsContact C-N 3.34Å; L328-M330 PolarHBondContact O-N 3.18Å; L328-L331 HydrophobicContact CD1-CD2 4.49Å; L328-L331 PolarHBondContact O-N 3.27Å; L328-L332 HydrophobicContact CD1-CD1 3.93Å; L328-L332 HydrophobicContact CD1-CG 4.36Å; L328-L332 HydrophobicContact CG-CD1 4.11Å; L328-L332 WeakPolarHBondContact O-CB 3.5Å; L328-L332 WeakPolarHBondContact O-CG 3.3Å; L328-L332 PolarHBondContact O-N 3.12Å |
| 329 | A | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64 | -38.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G325 M326 L332 R333 Q334 V339 I342 | G325-A329 VanDerWaalsContact O-CB 3.26Å; G325-A329 WeakPolarHBondContact O-CB 3.43Å; G325-A329 PolarHBondContact O-N 3.48Å; M326-A329 PolarHBondContact O-N 3.49Å; A329-L332 CarbonylContact O-C 3.5Å; A329-R333 PolarHBondContact O-N 2.89Å; A329-Q334 HydrophobicContact CB-CB 4.24Å; A329-Q334 HydrophobicContact CB-CG 4.25Å; A329-Q334 WeakPolarHBondContact O-CB 3.34Å; A329-Q334 WeakPolarHBondContact O-CG 3.31Å; A329-Q334 PolarHBondContact O-N 3.34Å; A329-V339 HydrophobicContact CB-CB 4.25Å; A329-V339 HydrophobicContact CB-CG1 4.3Å; A329-V339 HydrophobicContact CB-CG2 3.9Å; A329-I342 HydrophobicContact CB-CB 4.21Å; A329-I342 HydrophobicContact CB-CD1 3.87Å; A329-I342 HydrophobicContact CB-CG2 4.13Å |
| 330 | M | 97.1 | Very high | 96.3 | Very high | 118 Ų | 118 | 64.6 Ų | 64.6 | 58% | 0.581 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -68 | -43 | 174.9 | -73 | 178.8 | 65.8 | 0 | 0 | 112.1 | M326 A327 L328 L332 R333 V339 | M326-M330 HydrophobicContact CG-CG 4.38Å; M326-M330 HydrophobicContact CG-SD 3.79Å; M326-M330 WeakPolarHBondContact O-CB 3.42Å; M326-M330 VanDerWaalsContact O-CG 3.27Å; M326-M330 WeakPolarHBondContact O-CG 3.28Å; M326-M330 PolarHBondContact O-N 3Å; M326-M330 HydrophobicContact SD-SD 4.46Å; A327-M330 PolarHBondContact O-N 3.42Å; L328-M330 VanDerWaalsContact C-N 3.34Å; L328-M330 PolarHBondContact O-N 3.18Å; M330-L332 VanDerWaalsContact C-N 3.25Å; M330-L332 PolarHBondContact O-N 3.15Å; M330-R333 WeakPolarHBondContact O-CA 3.49Å; M330-R333 PolarHBondContact O-N 3.47Å; M330-V339 HydrophobicContact CG-CG1 3.91Å; M330-V339 HydrophobicContact CG-CG2 4.21Å |
| 331 | L | 96.9 | Very high | 96.2 | Very high | 133 Ų | 133 | 60.7 Ų | 60.7 | 70% | 0.696 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -58.6 | -40.9 | 176.7 | -178.5 | 65.2 | 0 | 0 | 0 | 111.1 | A327 L328 R333 | A327-L331 VanDerWaalsContact O-CB 3.27Å; A327-L331 WeakPolarHBondContact O-CB 3.4Å; A327-L331 PolarHBondContact O-N 3.14Å; L328-L331 HydrophobicContact CD1-CD2 4.49Å; L328-L331 PolarHBondContact O-N 3.27Å; L331-R333 PolarHBondContact O-N 2.88Å |
| 332 | L | 96.2 | Very high | 96.2 | Very high | 85 Ų | 85 | 60.7 Ų | 60.7 | 45% | 0.445 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 18.3 | 176.5 | -61.6 | 173.4 | 0 | 0 | 0 | 113.3 | I205 L328 A329 M330 Q334 | I205-L332 HydrophobicContact CD1-CB 3.76Å; I205-L332 HydrophobicContact CD1-CD1 3.46Å; I205-L332 VanDerWaalsContact CD1-CD1 3.46Å; I205-L332 HydrophobicContact CD1-CG 4.26Å; I205-L332 HydrophobicContact CG1-CD1 3.47Å; I205-L332 VanDerWaalsContact CG1-CD1 3.47Å; L328-L332 HydrophobicContact CD1-CD1 3.93Å; L328-L332 HydrophobicContact CD1-CG 4.36Å; L328-L332 HydrophobicContact CG-CD1 4.11Å; L328-L332 WeakPolarHBondContact O-CB 3.5Å; L328-L332 WeakPolarHBondContact O-CG 3.3Å; L328-L332 PolarHBondContact O-N 3.12Å; A329-L332 CarbonylContact O-C 3.5Å; M330-L332 VanDerWaalsContact C-N 3.25Å; M330-L332 PolarHBondContact O-N 3.15Å; L332-Q334 VanDerWaalsContact C-N 3.29Å; L332-Q334 PolarHBondContact O-N 3.36Å; L332-Q334 PolarHBondContact O-NE2 3.45Å |
| 333 | R | 95.9 | Very high | 96.2 | Very high | 227 Ų | 227 | 60.3 Ų | 60.3 | 86% | 0.857 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 38.9 | 169.5 | -58.6 | -177.5 | 175.1 | 178 | -1.7 | 114.2 | A329 M330 L331 | A329-R333 PolarHBondContact O-N 2.89Å; M330-R333 WeakPolarHBondContact O-CA 3.49Å; M330-R333 PolarHBondContact O-N 3.47Å; L331-R333 PolarHBondContact O-N 2.88Å |
| 334 | Q | 96.6 | Very high | 96.1 | Very high | 30 Ų | 30 | 58 Ų | 58 | 14% | 0.14 | 29% | 0.294 | C | S | . | . | trans | -70.2 | 145.5 | 175.9 | -66.4 | -55.3 | -56.8 | 0 | 0 | 111.7 | I205 A329 L332 N338 V339 I342 | I205-Q334 HydrophobicContact CD1-CG 3.78Å; A329-Q334 HydrophobicContact CB-CB 4.24Å; A329-Q334 HydrophobicContact CB-CG 4.25Å; A329-Q334 WeakPolarHBondContact O-CB 3.34Å; A329-Q334 WeakPolarHBondContact O-CG 3.31Å; A329-Q334 PolarHBondContact O-N 3.34Å; L332-Q334 VanDerWaalsContact C-N 3.29Å; L332-Q334 PolarHBondContact O-N 3.36Å; L332-Q334 PolarHBondContact O-NE2 3.45Å; Q334-N338 HydrophobicContact CB-CB 3.98Å; Q334-N338 PolarHBondContact OE1-ND2 3.47Å; Q334-V339 HydrophobicContact CB-CG2 3.89Å; Q334-V339 WeakPolarHBondContact O-CG2 3.42Å; Q334-I342 HydrophobicContact CG-CD1 4.2Å | ||
| 335 | P | 96.3 | Very high | 95.9 | Very high | 79 Ų | 79 | 57.2 Ų | 57.2 | 51% | 0.513 | 29% | 0.285 | S | S | . | . | trans | -56.9 | 151.3 | 170.8 | -23.6 | 33 | 0 | 0 | 0 | 111.7 | A337 N338 V339 | P335-A337 VanDerWaalsContact C-N 3.26Å; P335-A337 PolarHBondContact O-N 3.49Å; P335-A337 VanDerWaalsContact O-N 3.12Å; P335-N338 WeakPolarHBondContact O-CA 3.29Å; P335-N338 WeakPolarHBondContact O-CB 3.31Å; P335-N338 PolarHBondContact O-N 2.98Å; P335-V339 PolarHBondContact O-N 3.05Å | ||
| 336 | R | 95.1 | Very high | 95.8 | Very high | 225 Ų | 225 | 57.2 Ų | 57.2 | 85% | 0.849 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -50.2 | -44 | -176.1 | -68 | -173.5 | 175.4 | 104.3 | 0.9 | 113.5 | N338 V339 V340 | R336-N338 VanDerWaalsContact C-N 3.31Å; R336-N338 PolarHBondContact O-N 2.9Å; R336-V339 PolarHBondContact O-N 3.2Å; R336-V340 WeakPolarHBondContact O-CG2 3.35Å; R336-V340 PolarHBondContact O-N 2.79Å |
| 337 | A | 95.6 | Very high | 95.6 | Very high | 36 Ų | 36 | 53.5 Ų | 53.5 | 30% | 0.298 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.2 | -38.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G259 N260 P335 A341 | G259-A337 WeakPolarHBondContact CA-O 3.5Å; N260-A337 HydrophobicContact CB-CB 4.06Å; N260-A337 PolarHBondContact N-O 3.07Å; P335-A337 VanDerWaalsContact C-N 3.26Å; P335-A337 PolarHBondContact O-N 3.49Å; P335-A337 VanDerWaalsContact O-N 3.12Å; A337-A341 PolarHBondContact O-N 3.05Å; A337-A341 VanDerWaalsContact O-N 3.13Å |
| 338 | N | 96.4 | Very high | 95.4 | Very high | 22 Ų | 22 | 51.1 Ų | 51.1 | 12% | 0.118 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -71.7 | -38.8 | 175.4 | -69.3 | 7.6 | 0 | 0 | 0 | 111.5 | N260 L263 Q334 P335 R336 V340 A341 I342 | N260-N338 VanDerWaalsContact CB-OD1 3.32Å; N260-N338 WeakPolarHBondContact CB-OD1 3.5Å; N260-N338 PolarHBondContact ND2-OD1 3.36Å; L263-N338 HydrophobicContact CD2-CB 3.81Å; Q334-N338 HydrophobicContact CB-CB 3.98Å; Q334-N338 PolarHBondContact OE1-ND2 3.47Å; P335-N338 WeakPolarHBondContact O-CA 3.29Å; P335-N338 WeakPolarHBondContact O-CB 3.31Å; P335-N338 PolarHBondContact O-N 2.98Å; R336-N338 VanDerWaalsContact C-N 3.31Å; R336-N338 PolarHBondContact O-N 2.9Å; N338-V340 VanDerWaalsContact C-N 3.32Å; N338-V340 PolarHBondContact O-N 3.49Å; N338-A341 PolarHBondContact O-N 3.2Å; N338-I342 WeakPolarHBondContact O-CB 3.37Å; N338-I342 WeakPolarHBondContact O-CD1 2.88Å; N338-I342 VanDerWaalsContact O-CG1 3.24Å; N338-I342 WeakPolarHBondContact O-CG1 3.34Å; N338-I342 PolarHBondContact O-N 2.8Å |
| 339 | V | 97.2 | Very high | 95 | Very high | 15 Ų | 15 | 49.6 Ų | 49.6 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.9 | -44.6 | 176.4 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | M326 A329 M330 Q334 P335 R336 S343 | M326-V339 HydrophobicContact CB-CG1 4.45Å; M326-V339 HydrophobicContact CG-CG1 3.81Å; A329-V339 HydrophobicContact CB-CB 4.25Å; A329-V339 HydrophobicContact CB-CG1 4.3Å; A329-V339 HydrophobicContact CB-CG2 3.9Å; M330-V339 HydrophobicContact CG-CG1 3.91Å; M330-V339 HydrophobicContact CG-CG2 4.21Å; Q334-V339 HydrophobicContact CB-CG2 3.89Å; Q334-V339 WeakPolarHBondContact O-CG2 3.42Å; P335-V339 PolarHBondContact O-N 3.05Å; R336-V339 PolarHBondContact O-N 3.2Å; V339-S343 WeakPolarHBondContact O-CB 3.35Å; V339-S343 PolarHBondContact O-N 2.7Å |
| 340 | V | 95.7 | Very high | 94.5 | Very high | 36 Ų | 36 | 50.7 Ų | 50.7 | 22% | 0.218 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.6 | -50.4 | 176 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | L257 R336 N338 I342 S343 L344 | L257-V340 HydrophobicContact CB-CG1 3.84Å; R336-V340 WeakPolarHBondContact O-CG2 3.35Å; R336-V340 PolarHBondContact O-N 2.79Å; N338-V340 VanDerWaalsContact C-N 3.32Å; N338-V340 PolarHBondContact O-N 3.49Å; V340-I342 PolarHBondContact O-N 3.27Å; V340-S343 PolarHBondContact O-N 2.82Å; V340-L344 HydrophobicContact CG1-CD1 3.76Å; V340-L344 HydrophobicContact CG1-CG 4.35Å; V340-L344 WeakPolarHBondContact O-CB 3.25Å; V340-L344 VanDerWaalsContact O-CG 3.3Å; V340-L344 WeakPolarHBondContact O-CG 3.08Å; V340-L344 PolarHBondContact O-N 3.1Å |
| 341 | A | 94.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.7 | -47 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T254 N260 L263 M267 A337 N338 L344 E345 | T254-A341 HydrophobicContact CG2-CB 3.97Å; N260-A341 HydrophobicContact CB-CB 4.41Å; N260-A341 WeakPolarHBondContact O-CB 3.25Å; L263-A341 HydrophobicContact CD2-CB 4.27Å; M267-A341 HydrophobicContact CE-CB 4.19Å; A337-A341 PolarHBondContact O-N 3.05Å; A337-A341 VanDerWaalsContact O-N 3.13Å; N338-A341 PolarHBondContact O-N 3.2Å; A341-L344 PolarHBondContact O-N 2.93Å; A341-E345 WeakPolarHBondContact O-CB 3.3Å; A341-E345 PolarHBondContact O-N 2.8Å |
| 342 | I | 95.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.9 | -43.4 | 179.2 | -67.8 | 164.7 | 0 | 0 | 0 | 110.8 | A202 I205 L263 M267 A329 Q334 N338 V340 T346 | A202-I342 HydrophobicContact CB-CD1 4.36Å; I205-I342 HydrophobicContact CB-CD1 4.19Å; I205-I342 HydrophobicContact CG2-CD1 4.08Å; I205-I342 HydrophobicContact CG2-CG2 3.92Å; L263-I342 HydrophobicContact CD2-CD1 4.45Å; L263-I342 HydrophobicContact CD2-CG1 4.23Å; M267-I342 HydrophobicContact CE-CG1 4.33Å; M267-I342 HydrophobicContact SD-CG1 4.01Å; A329-I342 HydrophobicContact CB-CB 4.21Å; A329-I342 HydrophobicContact CB-CD1 3.87Å; A329-I342 HydrophobicContact CB-CG2 4.13Å; Q334-I342 HydrophobicContact CG-CD1 4.2Å; N338-I342 WeakPolarHBondContact O-CB 3.37Å; N338-I342 WeakPolarHBondContact O-CD1 2.88Å; N338-I342 VanDerWaalsContact O-CG1 3.24Å; N338-I342 WeakPolarHBondContact O-CG1 3.34Å; N338-I342 PolarHBondContact O-N 2.8Å; V340-I342 PolarHBondContact O-N 3.27Å; I342-T346 WeakPolarHBondContact O-CB 3.19Å; I342-T346 PolarHBondContact O-N 2.86Å; I342-T346 PolarHBondContact O-OG1 3.49Å |
| 343 | S | 96 | Very high | 93.5 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 6% | 0.056 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.4 | -48.2 | 177.8 | -179.8 | 0 | 0 | 0 | 0 | 111.3 | F322 V339 V340 T346 G347 | F322-S343 VanDerWaalsContact CD1-O 3.3Å; F322-S343 WeakPolarHBondContact CD1-O 3.42Å; F322-S343 PolarHBondContact O-OG 3.18Å; V339-S343 WeakPolarHBondContact O-CB 3.35Å; V339-S343 PolarHBondContact O-N 2.7Å; V340-S343 PolarHBondContact O-N 2.82Å; S343-T346 PolarHBondContact O-N 2.8Å; S343-G347 PolarHBondContact O-N 2.78Å |
| 344 | L | 94.1 | Very high | 93.2 | Very high | 8 Ų | 8 | 27.5 Ų | 27.5 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.2 | -43.3 | -179.5 | -69.7 | 174.6 | 0 | 0 | 0 | 112.5 | L257 F322 V340 A341 T346 G347 I348 V385 | L257-L344 HydrophobicContact CD1-CD1 4.09Å; L257-L344 HydrophobicContact CD1-CD2 4.27Å; F322-L344 HydrophobicContact CD1-CD2 4.39Å; F322-L344 HydrophobicContact CE1-CD2 3.93Å; V340-L344 HydrophobicContact CG1-CD1 3.76Å; V340-L344 HydrophobicContact CG1-CG 4.35Å; V340-L344 WeakPolarHBondContact O-CB 3.25Å; V340-L344 VanDerWaalsContact O-CG 3.3Å; V340-L344 WeakPolarHBondContact O-CG 3.08Å; V340-L344 PolarHBondContact O-N 3.1Å; A341-L344 PolarHBondContact O-N 2.93Å; L344-T346 VanDerWaalsContact C-N 3.31Å; L344-T346 PolarHBondContact O-N 2.91Å; L344-G347 PolarHBondContact O-N 3.1Å; L344-I348 HydrophobicContact CB-CD1 4.29Å; L344-I348 HydrophobicContact CD2-CD1 4.24Å; L344-I348 VanDerWaalsContact O-CB 3.31Å; L344-I348 WeakPolarHBondContact O-CB 3.45Å; L344-I348 WeakPolarHBondContact O-CG1 3.12Å; L344-I348 PolarHBondContact O-N 3.05Å; L344-V385 HydrophobicContact CD2-CG1 4.27Å; L344-V385 HydrophobicContact CD2-CG2 3.88Å |
| 345 | E | 91.7 | Very high | 93 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.009 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.6 | -39.9 | 176.5 | -168.7 | 68.2 | -176.4 | 0 | 0 | 111.5 | Q210 S250 M267 T268 A341 | Q210-E345 PolarHBondContact OE1-O 3.32Å; S250-E345 VanDerWaalsContact CB-OE2 3.29Å; S250-E345 WeakPolarHBondContact CB-OE2 3.35Å; S250-E345 PolarHBondContact OG-OE2 3.05Å; M267-E345 HydrophobicContact CB-CG 3.93Å; M267-E345 HydrophobicContact CE-CB 3.72Å; M267-E345 HydrophobicContact CE-CG 4.03Å; M267-E345 HydrophobicContact SD-CG 4.46Å; T268-E345 VanDerWaalsContact CA-OE1 3.32Å; T268-E345 WeakPolarHBondContact CA-OE1 3.47Å; T268-E345 PolarHBondContact N-OE1 3.08Å; T268-E345 PolarHBondContact OG1-OE1 2.83Å; T268-E345 PolarHBondContact OG1-OE2 3.4Å; A341-E345 WeakPolarHBondContact O-CB 3.3Å; A341-E345 PolarHBondContact O-N 2.8Å |
| 346 | T | 92.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -70.7 | -37.9 | 179.2 | -51.4 | 0 | 0 | 0 | 0 | 112.3 | C209 L213 M214 G321 I342 S343 L344 Q349 | C209-T346 HydrophobicContact CB-CG2 3.69Å; C209-T346 WeakPolarHBondContact CB-OG1 3.36Å; L213-T346 HydrophobicContact CD2-CG2 4.49Å; M214-T346 HydrophobicContact CG-CG2 3.71Å; M214-T346 WeakPolarHBondContact CG-O 3.4Å; M214-T346 HydrophobicContact SD-CG2 4.09Å; G321-T346 WeakPolarHBondContact O-CB 3.31Å; G321-T346 WeakPolarHBondContact O-CG2 3.49Å; I342-T346 WeakPolarHBondContact O-CB 3.19Å; I342-T346 PolarHBondContact O-N 2.86Å; I342-T346 PolarHBondContact O-OG1 3.49Å; S343-T346 PolarHBondContact O-N 2.8Å; L344-T346 VanDerWaalsContact C-N 3.31Å; L344-T346 PolarHBondContact O-N 2.91Å; T346-Q349 PolarHBondContact O-NE2 2.85Å |
| 347 | G | 93.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -87.3 | -28.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | P318 S343 L344 | P318-G347 WeakPolarHBondContact CB-O 3.21Å; S343-G347 PolarHBondContact O-N 2.78Å; L344-G347 PolarHBondContact O-N 3.1Å |
| 348 | I | 92.4 | Very high | 92.2 | Very high | 7 Ų | 7 | 16.1 Ų | 16.1 | 4% | 0.036 | 9% | 0.089 | C | C | . | . | trans | -89.5 | 117.2 | 179.9 | -64.5 | 165 | 0 | 0 | 0 | 109.1 | G246 A249 Y253 F322 L344 T381 | G246-I348 VanDerWaalsContact CA-O 3.25Å; G246-I348 WeakPolarHBondContact CA-O 3.32Å; A249-I348 HydrophobicContact CB-CG2 4.2Å; Y253-I348 HydrophobicContact CD2-CD1 3.69Å; Y253-I348 HydrophobicContact CE2-CD1 4.42Å; F322-I348 HydrophobicContact CE1-CD1 4.33Å; F322-I348 HydrophobicContact CE1-CG1 3.78Å; F322-I348 HydrophobicContact CZ-CG1 3.72Å; L344-I348 HydrophobicContact CB-CD1 4.29Å; L344-I348 HydrophobicContact CD2-CD1 4.24Å; L344-I348 VanDerWaalsContact O-CB 3.31Å; L344-I348 WeakPolarHBondContact O-CB 3.45Å; L344-I348 WeakPolarHBondContact O-CG1 3.12Å; L344-I348 PolarHBondContact O-N 3.05Å; I348-T381 HydrophobicContact CB-CG2 4.23Å; I348-T381 HydrophobicContact CG1-CG2 3.7Å; I348-T381 HydrophobicContact CG2-CG2 4.34Å | ||
| 349 | Q | 87.9 | Confident | 91.9 | Very high | 10 Ų | 10 | 16.2 Ų | 16.2 | 5% | 0.047 | 9% | 0.088 | C | C | . | . | trans | -104.2 | 150.5 | 178.2 | -53.3 | -57.9 | -64.9 | 0 | 0 | 111 | Q210 M214 A241 G242 S244 T346 T351 | Q210-Q349 VanDerWaalsContact NE2-OE1 3.14Å; M214-Q349 VanDerWaalsContact CE-CD 3.48Å; M214-Q349 HydrophobicContact CE-CG 4.04Å; M214-Q349 VanDerWaalsContact CE-NE2 3.33Å; A241-Q349 WeakPolarHBondContact O-CB 3.46Å; A241-Q349 WeakPolarHBondContact O-CG 3.25Å; G242-Q349 PolarHBondContact O-OE1 3Å; G242-Q349 VanDerWaalsContact O-OE1 3.13Å; S244-Q349 PolarHBondContact O-OE1 3.13Å; T346-Q349 PolarHBondContact O-NE2 2.85Å; Q349-T351 PolarHBondContact O-N 2.9Å | ||
| 350 | N | 88.1 | Confident | 91.5 | Very high | 22 Ų | 22 | 21.8 Ų | 21.8 | 12% | 0.118 | 12% | 0.117 | C | C | . | . | trans | -80.4 | 83.6 | 170.1 | -168.3 | -23.5 | 0 | 0 | 0 | 111.1 | S244 P245 G352 I353 A354 | S244-N350 WeakPolarHBondContact CB-O 3.49Å; P245-N350 WeakPolarHBondContact O-CB 3.43Å; P245-N350 PolarHBondContact O-N 3.05Å; N350-G352 PolarHBondContact O-N 2.79Å; N350-G352 PolarHBondContact OD1-N 3.36Å; N350-I353 HydrophobicContact CB-CD1 4.44Å; N350-I353 WeakPolarHBondContact ND2-CD1 3.39Å; N350-I353 PolarHBondContact O-N 2.83Å; N350-I353 PolarHBondContact OD1-N 3.34Å; N350-A354 PolarHBondContact O-N 2.88Å | ||
| 351 | T | 90.6 | Very high | 91.1 | Very high | 25 Ų | 25 | 23.4 Ų | 23.4 | 15% | 0.153 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.5 | -24.8 | -177.2 | 57.2 | 0 | 0 | 0 | 0 | 113.4 | Q349 A354 I355 P374 V377 A378 | Q349-T351 PolarHBondContact O-N 2.9Å; T351-A354 WeakPolarHBondContact O-CB 3.38Å; T351-A354 PolarHBondContact O-N 2.86Å; T351-I355 VanDerWaalsContact O-CG1 3.26Å; T351-I355 WeakPolarHBondContact O-CG1 3.44Å; T351-I355 PolarHBondContact O-N 3.26Å; T351-P374 WeakPolarHBondContact CB-O 3.46Å; T351-P374 HydrophobicContact CG2-CB 4.44Å; T351-P374 VanDerWaalsContact CG2-O 3.25Å; T351-P374 WeakPolarHBondContact CG2-O 2.98Å; T351-V377 HydrophobicContact CG2-CB 4.36Å; T351-V377 HydrophobicContact CG2-CG1 4.1Å; T351-A378 HydrophobicContact CG2-CB 3.91Å |
| 352 | G | 89.9 | Confident | 90.9 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 5% | 0.052 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.9 | -44.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L177 N350 A354 I355 V356 | L177-G352 VanDerWaalsContact CD1-C 3.46Å; N350-G352 PolarHBondContact O-N 2.79Å; N350-G352 PolarHBondContact OD1-N 3.36Å; G352-A354 VanDerWaalsContact C-N 3.35Å; G352-I355 PolarHBondContact O-N 2.76Å; G352-V356 WeakPolarHBondContact O-CG2 3.49Å; G352-V356 PolarHBondContact O-N 3.44Å |
| 353 | I | 87.6 | Confident | 90.6 | Very high | 46 Ų | 46 | 31.1 Ų | 31.1 | 24% | 0.236 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.2 | -39.2 | 176.8 | -66.4 | 178.6 | 0 | 0 | 0 | 110.9 | L177 M272 N350 I355 V356 M357 | L177-I353 HydrophobicContact CD1-CG1 4.17Å; M272-I353 HydrophobicContact CE-CD1 3.06Å; M272-I353 HydrophobicContact SD-CD1 3.9Å; N350-I353 HydrophobicContact CB-CD1 4.44Å; N350-I353 WeakPolarHBondContact ND2-CD1 3.39Å; N350-I353 PolarHBondContact O-N 2.83Å; N350-I353 PolarHBondContact OD1-N 3.34Å; I353-I355 VanDerWaalsContact C-N 3.31Å; I353-I355 PolarHBondContact O-N 2.95Å; I353-V356 PolarHBondContact O-N 2.75Å; I353-M357 VanDerWaalsContact O-CB 3.3Å; I353-M357 WeakPolarHBondContact O-CB 3.5Å; I353-M357 PolarHBondContact O-N 2.87Å |
| 354 | A | 91 | Very high | 90.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.7 | -46.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T240 S244 N350 T351 G352 M357 L358 P374 | T240-A354 HydrophobicContact CG2-CB 4.15Å; S244-A354 VanDerWaalsContact OG-CB 3.32Å; S244-A354 WeakPolarHBondContact OG-CB 3.34Å; N350-A354 PolarHBondContact O-N 2.88Å; T351-A354 WeakPolarHBondContact O-CB 3.38Å; T351-A354 PolarHBondContact O-N 2.86Å; G352-A354 VanDerWaalsContact C-N 3.35Å; A354-M357 PolarHBondContact O-N 2.76Å; A354-L358 WeakPolarHBondContact O-CB 2.99Å; A354-L358 WeakPolarHBondContact O-CD1 3.36Å; A354-L358 WeakPolarHBondContact O-CG 3.45Å; A354-L358 PolarHBondContact O-N 2.82Å; A354-P374 HydrophobicContact CB-CB 3.95Å; A354-P374 HydrophobicContact CB-CG 3.68Å |
| 355 | I | 92.2 | Very high | 90.1 | Very high | 14 Ų | 14 | 32 Ų | 32 | 7% | 0.072 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.5 | -50.7 | 178.8 | -67.6 | 163.6 | 0 | 0 | 0 | 110.6 | L173 T351 G352 I353 M357 L358 Q359 P374 V375 | L173-I355 HydrophobicContact CD2-CG2 4.34Å; T351-I355 VanDerWaalsContact O-CG1 3.26Å; T351-I355 WeakPolarHBondContact O-CG1 3.44Å; T351-I355 PolarHBondContact O-N 3.26Å; G352-I355 PolarHBondContact O-N 2.76Å; I353-I355 VanDerWaalsContact C-N 3.31Å; I353-I355 PolarHBondContact O-N 2.95Å; I355-M357 VanDerWaalsContact C-N 3.33Å; I355-M357 PolarHBondContact O-N 2.9Å; I355-L358 PolarHBondContact O-N 2.87Å; I355-Q359 HydrophobicContact CG2-CG 4.29Å; I355-Q359 WeakPolarHBondContact O-CB 3.16Å; I355-Q359 VanDerWaalsContact O-CG 3.25Å; I355-Q359 WeakPolarHBondContact O-CG 3.47Å; I355-Q359 PolarHBondContact O-N 2.92Å; I355-P374 HydrophobicContact CD1-CB 4.24Å; I355-P374 HydrophobicContact CG1-CB 3.67Å; I355-P374 HydrophobicContact CG1-CG 4.12Å; I355-V375 HydrophobicContact CD1-CG2 3.86Å |
| 356 | V | 90.6 | Very high | 90.1 | Very high | 22 Ų | 22 | 33.8 Ų | 33.8 | 13% | 0.133 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61 | -43.6 | -179.1 | 173 | 0 | 0 | 0 | 0 | 110.9 | L173 S174 L177 G352 I353 Q359 L360 | L173-V356 HydrophobicContact CD2-CG2 4.12Å; L173-V356 HydrophobicContact CG-CG2 4.28Å; S174-V356 WeakPolarHBondContact OG-CG1 3.35Å; S174-V356 WeakPolarHBondContact OG-CG2 2.98Å; L177-V356 HydrophobicContact CD1-CG2 4.25Å; G352-V356 WeakPolarHBondContact O-CG2 3.49Å; G352-V356 PolarHBondContact O-N 3.44Å; I353-V356 PolarHBondContact O-N 2.75Å; V356-Q359 PolarHBondContact O-N 2.91Å; V356-L360 HydrophobicContact CG1-CD1 3.71Å; V356-L360 HydrophobicContact CG1-CG 4.35Å; V356-L360 WeakPolarHBondContact O-CB 3.44Å; V356-L360 VanDerWaalsContact O-CG 3.28Å; V356-L360 WeakPolarHBondContact O-CG 3.25Å; V356-L360 PolarHBondContact O-N 2.89Å |
| 357 | M | 87.2 | Confident | 90.1 | Very high | 96 Ų | 96 | 33.8 Ų | 33.8 | 47% | 0.473 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.6 | -50.7 | 176.1 | -177.5 | -166.1 | 174.7 | 0 | 0 | 111.4 | T240 I353 A354 I355 Q359 L360 S361 | T240-M357 HydrophobicContact CG2-SD 3.59Å; T240-M357 VanDerWaalsContact CG2-SD 3.59Å; I353-M357 VanDerWaalsContact O-CB 3.3Å; I353-M357 WeakPolarHBondContact O-CB 3.5Å; I353-M357 PolarHBondContact O-N 2.87Å; A354-M357 PolarHBondContact O-N 2.76Å; I355-M357 VanDerWaalsContact C-N 3.33Å; I355-M357 PolarHBondContact O-N 2.9Å; M357-Q359 VanDerWaalsContact C-N 3.3Å; M357-Q359 PolarHBondContact O-N 2.81Å; M357-L360 PolarHBondContact O-N 2.8Å; M357-S361 WeakPolarHBondContact O-CB 3.44Å; M357-S361 PolarHBondContact O-N 2.81Å; M357-S361 PolarHBondContact O-OG 2.95Å |
| 358 | L | 91.9 | Very high | 90 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.1 | -40.4 | -179 | -72 | 167.3 | 0 | 0 | 0 | 112 | L236 T240 A354 I355 F362 S367 A370 P374 | L236-L358 HydrophobicContact CD2-CD2 4.3Å; L236-L358 HydrophobicContact CG-CD2 4.06Å; T240-L358 HydrophobicContact CG2-CD1 4.35Å; T240-L358 HydrophobicContact CG2-CD2 4.16Å; T240-L358 HydrophobicContact CG2-CG 3.97Å; A354-L358 WeakPolarHBondContact O-CB 2.99Å; A354-L358 WeakPolarHBondContact O-CD1 3.36Å; A354-L358 WeakPolarHBondContact O-CG 3.45Å; A354-L358 PolarHBondContact O-N 2.82Å; I355-L358 PolarHBondContact O-N 2.87Å; L358-F362 HydrophobicContact CD2-CD2 4.08Å; L358-F362 HydrophobicContact CD2-CE2 4.08Å; L358-F362 PolarHBondContact O-N 3.47Å; L358-S367 WeakPolarHBondContact O-CB 3.1Å; L358-A370 HydrophobicContact CD1-CB 4.06Å; L358-A370 HydrophobicContact CD2-CB 3.86Å; L358-A370 HydrophobicContact CG-CB 4.37Å; L358-P374 HydrophobicContact CD1-CG 3.78Å |
| 359 | Q | 90.5 | Very high | 90.1 | Very high | 24 Ų | 24 | 34.5 Ų | 34.5 | 11% | 0.112 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.9 | -34.8 | 179 | -73.2 | -69.1 | -20.5 | 0 | 0 | 113.3 | I170 I355 V356 M357 S367 D368 S371 | I170-Q359 HydrophobicContact CD1-CB 3.9Å; I170-Q359 HydrophobicContact CD1-CG 3.67Å; I170-Q359 HydrophobicContact CG1-CB 4.5Å; I170-Q359 HydrophobicContact CG1-CG 4.21Å; I355-Q359 HydrophobicContact CG2-CG 4.29Å; I355-Q359 WeakPolarHBondContact O-CB 3.16Å; I355-Q359 VanDerWaalsContact O-CG 3.25Å; I355-Q359 WeakPolarHBondContact O-CG 3.47Å; I355-Q359 PolarHBondContact O-N 2.92Å; V356-Q359 PolarHBondContact O-N 2.91Å; M357-Q359 VanDerWaalsContact C-N 3.3Å; M357-Q359 PolarHBondContact O-N 2.81Å; Q359-S367 PolarHBondContact NE2-O 2.72Å; Q359-D368 PolarHBondContact NE2-OD1 3.11Å; Q359-D368 PolarHBondContact OE1-OD1 3.28Å; Q359-S371 PolarHBondContact NE2-OG 2.71Å |
| 360 | L | 88.7 | Confident | 90.4 | Very high | 132 Ų | 132 | 34 Ų | 34 | 69% | 0.691 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -88.2 | -24.5 | 179.9 | -65 | 177.6 | 0 | 0 | 0 | 113.6 | V356 M357 | V356-L360 HydrophobicContact CG1-CD1 3.71Å; V356-L360 HydrophobicContact CG1-CG 4.35Å; V356-L360 WeakPolarHBondContact O-CB 3.44Å; V356-L360 VanDerWaalsContact O-CG 3.28Å; V356-L360 WeakPolarHBondContact O-CG 3.25Å; V356-L360 PolarHBondContact O-N 2.89Å; M357-L360 PolarHBondContact O-N 2.8Å |
| 361 | S | 87.2 | Confident | 90.6 | Very high | 70 Ų | 70 | 33 Ų | 33 | 49% | 0.49 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -93.7 | -23.7 | -174.7 | -63.1 | 0 | 0 | 0 | 0 | 114.7 | M357 | M357-S361 WeakPolarHBondContact O-CB 3.44Å; M357-S361 PolarHBondContact O-N 2.81Å; M357-S361 PolarHBondContact O-OG 2.95Å |
| 362 | F | 89 | Confident | 90.8 | Very high | 71 Ų | 71 | 31.8 Ų | 31.8 | 31% | 0.311 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -119.8 | 144.5 | -173.1 | -65.6 | -82.7 | 0 | 0 | 0 | 112.8 | L236 L358 S367 | L236-F362 HydrophobicContact CD1-CE2 4.26Å; L236-F362 HydrophobicContact CD1-CZ 3.88Å; L236-F362 HydrophobicContact CD2-CD1 3.79Å; L236-F362 HydrophobicContact CD2-CD2 3.83Å; L236-F362 HydrophobicContact CD2-CE1 3.39Å; L236-F362 HydrophobicContact CD2-CE2 3.45Å; L236-F362 VanDerWaalsContact CD2-CE2 3.45Å; L236-F362 HydrophobicContact CD2-CG 4.01Å; L236-F362 HydrophobicContact CD2-CZ 3.21Å; L236-F362 HydrophobicContact CG-CE2 4.19Å; L236-F362 HydrophobicContact CG-CZ 4.07Å; L358-F362 HydrophobicContact CD2-CD2 4.08Å; L358-F362 HydrophobicContact CD2-CE2 4.08Å; L358-F362 PolarHBondContact O-N 3.47Å; F362-S367 VanDerWaalsContact O-CB 3.32Å; F362-S367 WeakPolarHBondContact O-CB 3.49Å; F362-S367 PolarHBondContact O-OG 2.88Å |
| 363 | P | 89.7 | Confident | 91.1 | Very high | 91 Ų | 91 | 31.6 Ų | 31.6 | 59% | 0.591 | 17% | 0.171 | S | C | * | . | trans | -69.5 | 154.8 | 173.7 | 30.6 | -34.6 | 0 | 0 | 0 | 110.8 | D366 S367 | P363-D366 PolarHBondContact O-N 2.68Å; P363-S367 PolarHBondContact O-N 3.06Å | ||
| 364 | K | 89.1 | Confident | 91.4 | Very high | 32 Ų | 32 | 29.4 Ų | 29.4 | 14% | 0.139 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 146.6 | 169.7 | -67.5 | -176.8 | 180 | 172.7 | 0 | 110.3 | T159 E162 Y167 S367 | T159-K364 HydrophobicContact CG2-CB 3.55Å; E162-K364 IonicContact OE1-NZ 4Å; E162-K364 PolarHBondContact OE1-NZ 3.29Å; E162-K364 IonicContact OE2-NZ 3.07Å; E162-K364 PolarHBondContact OE2-NZ 2.8Å; Y167-K364 VanDerWaalsContact CZ-NZ 3.34Å; Y167-K364 PolarHBondContact OH-NZ 3.39Å; K364-S367 WeakPolarHBondContact CG-OG 3.37Å |
| 365 | P | 91.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.013 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -86.5 | -0.7 | 4 | 34.4 | -36.2 | 0 | 0 | 0 | 115 | V158 T159 S367 D368 I369 | V158-P365 VanDerWaalsContact O-CB 3.28Å; V158-P365 WeakPolarHBondContact O-CB 3.4Å; V158-P365 WeakPolarHBondContact O-CG 3.4Å; T159-P365 HydrophobicContact CG2-CB 4.24Å; P365-S367 PolarHBondContact O-N 2.93Å; P365-D368 PolarHBondContact O-N 2.93Å; P365-I369 HydrophobicContact CB-CD1 4.16Å; P365-I369 HydrophobicContact CG-CD1 4.37Å; P365-I369 VanDerWaalsContact O-CG1 3.31Å; P365-I369 WeakPolarHBondContact O-CG1 3.32Å; P365-I369 PolarHBondContact O-N 2.89Å |
| 366 | D | 92.3 | Very high | 91.6 | Very high | 40 Ų | 40 | 30.7 Ų | 30.7 | 21% | 0.214 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.7 | -38.2 | -173 | -72.8 | -31.3 | 0 | 0 | 0 | 112.9 | H131 A233 P363 I369 A370 | H131-D366 IonicContact CE1-OD1 3.38Å; H131-D366 PolarHBondContact CE1-OD1 3.26Å; H131-D366 IonicContact CE1-OD2 2.91Å; H131-D366 PolarHBondContact CE1-OD2 3.45Å; H131-D366 IonicContact ND1-OD1 3.48Å; H131-D366 PolarHBondContact ND1-OD1 2.74Å; A233-D366 HydrophobicContact CB-CB 4.18Å; P363-D366 PolarHBondContact O-N 2.68Å; D366-I369 PolarHBondContact O-N 2.66Å; D366-A370 WeakPolarHBondContact O-CB 2.89Å; D366-A370 PolarHBondContact O-N 3.43Å |
| 367 | S | 91.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.9 | -45.9 | 173.9 | 47.1 | 0 | 0 | 0 | 0 | 112.9 | L358 Q359 F362 P363 K364 P365 S371 | L358-S367 WeakPolarHBondContact O-CB 3.1Å; Q359-S367 PolarHBondContact NE2-O 2.72Å; F362-S367 VanDerWaalsContact O-CB 3.32Å; F362-S367 WeakPolarHBondContact O-CB 3.49Å; F362-S367 PolarHBondContact O-OG 2.88Å; P363-S367 PolarHBondContact O-N 3.06Å; K364-S367 WeakPolarHBondContact CG-OG 3.37Å; P365-S367 PolarHBondContact O-N 2.93Å; S367-S371 VanDerWaalsContact O-CB 3.28Å; S367-S371 WeakPolarHBondContact O-CB 3.48Å; S367-S371 PolarHBondContact O-N 2.75Å; S367-S371 PolarHBondContact O-OG 2.83Å |
| 368 | D | 92.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66 | -38 | 179.1 | -79.6 | -11.4 | 0 | 0 | 0 | 112.1 | R160 Y301 Q359 P365 | R160-D368 WeakPolarHBondContact CD-OD2 3.18Å; R160-D368 IonicContact CZ-OD2 3.26Å; R160-D368 IonicContact NE-OD2 2.6Å; R160-D368 PolarHBondContact NE-OD2 2.8Å; Y301-D368 HydrophobicContact CE2-CB 4.16Å; Y301-D368 PolarHBondContact OH-OD1 3.08Å; Q359-D368 PolarHBondContact NE2-OD1 3.11Å; Q359-D368 PolarHBondContact OE1-OD1 3.28Å; P365-D368 PolarHBondContact O-N 2.93Å |
| 369 | I | 93.4 | Very high | 92.1 | Very high | 21 Ų | 21 | 31.6 Ų | 31.6 | 11% | 0.108 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71 | -48.8 | 177.2 | -65.1 | 164.9 | 0 | 0 | 0 | 110.6 | L129 A233 M234 P365 D366 S371 V372 | L129-I369 HydrophobicContact CD1-CD1 3.99Å; L129-I369 HydrophobicContact CD1-CG1 3.36Å; A233-I369 HydrophobicContact CB-CB 4.15Å; A233-I369 HydrophobicContact CB-CG2 3.85Å; M234-I369 HydrophobicContact CG-CG2 3.71Å; M234-I369 HydrophobicContact SD-CG2 3.52Å; M234-I369 VanDerWaalsContact SD-CG2 3.52Å; P365-I369 HydrophobicContact CB-CD1 4.16Å; P365-I369 HydrophobicContact CG-CD1 4.37Å; P365-I369 VanDerWaalsContact O-CG1 3.31Å; P365-I369 WeakPolarHBondContact O-CG1 3.32Å; P365-I369 PolarHBondContact O-N 2.89Å; D366-I369 PolarHBondContact O-N 2.66Å; I369-S371 VanDerWaalsContact C-N 3.28Å; I369-S371 PolarHBondContact O-N 3.36Å; I369-V372 VanDerWaalsContact O-CB 3.28Å; I369-V372 WeakPolarHBondContact O-CB 3.43Å; I369-V372 WeakPolarHBondContact O-CG2 3.36Å; I369-V372 PolarHBondContact O-N 3.4Å; I369-V372 VanDerWaalsContact O-N 3.17Å |
| 370 | A | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.8 | -38.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A233 G237 L358 D366 V372 M373 P374 | A233-A370 WeakPolarHBondContact O-CA 3.4Å; A233-A370 WeakPolarHBondContact O-CB 3.49Å; G237-A370 VanDerWaalsContact CA-O 3.31Å; G237-A370 WeakPolarHBondContact CA-O 3.47Å; L358-A370 HydrophobicContact CD1-CB 4.06Å; L358-A370 HydrophobicContact CD2-CB 3.86Å; L358-A370 HydrophobicContact CG-CB 4.37Å; D366-A370 WeakPolarHBondContact O-CB 2.89Å; D366-A370 PolarHBondContact O-N 3.43Å; A370-V372 PolarHBondContact O-N 2.78Å; A370-V372 VanDerWaalsContact O-N 3.12Å; A370-M373 PolarHBondContact O-N 2.76Å; A370-M373 VanDerWaalsContact O-N 3.09Å; A370-P374 VanDerWaalsContact O-CD 3.24Å; A370-P374 WeakPolarHBondContact O-CD 3.45Å |
| 371 | S | 93.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -17 | 179.3 | -61.4 | 0 | 0 | 0 | 0 | 114 | Q359 S367 I369 M373 P374 | Q359-S371 PolarHBondContact NE2-OG 2.71Å; S367-S371 VanDerWaalsContact O-CB 3.28Å; S367-S371 WeakPolarHBondContact O-CB 3.48Å; S367-S371 PolarHBondContact O-N 2.75Å; S367-S371 PolarHBondContact O-OG 2.83Å; I369-S371 VanDerWaalsContact C-N 3.28Å; I369-S371 PolarHBondContact O-N 3.36Å; S371-M373 VanDerWaalsContact C-N 3.28Å; S371-M373 PolarHBondContact O-N 3.36Å; S371-P374 WeakPolarHBondContact O-CD 3.4Å |
| 372 | V | 94.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.8 | -35.3 | 174.1 | -179.1 | 0 | 0 | 0 | 0 | 111.1 | M234 M302 V305 M306 I369 A370 V375 I376 | M234-V372 HydrophobicContact CE-CG1 4.49Å; M234-V372 HydrophobicContact SD-CB 4.39Å; M302-V372 HydrophobicContact CB-CG2 4.07Å; M302-V372 HydrophobicContact CG-CG2 4Å; V305-V372 HydrophobicContact CB-CG2 4.03Å; V305-V372 HydrophobicContact CG1-CG2 4.02Å; V305-V372 HydrophobicContact CG2-CG2 4.44Å; M306-V372 HydrophobicContact CE-CG1 4.44Å; M306-V372 HydrophobicContact CG-CG1 3.96Å; I369-V372 VanDerWaalsContact O-CB 3.28Å; I369-V372 WeakPolarHBondContact O-CB 3.43Å; I369-V372 WeakPolarHBondContact O-CG2 3.36Å; I369-V372 PolarHBondContact O-N 3.4Å; I369-V372 VanDerWaalsContact O-N 3.17Å; A370-V372 PolarHBondContact O-N 2.78Å; A370-V372 VanDerWaalsContact O-N 3.12Å; V372-V375 PolarHBondContact O-N 2.01Å; V372-I376 HydrophobicContact CG1-CD1 3.91Å; V372-I376 HydrophobicContact CG1-CG1 4.28Å; V372-I376 WeakPolarHBondContact O-CG1 3.45Å; V372-I376 PolarHBondContact O-N 2.95Å |
| 373 | M | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.5 | -50 | -176.7 | -76.8 | -48.4 | 111.6 | 0 | 0 | 113.7 | F226 M234 V238 A310 A370 S371 V375 I376 V377 | F226-M373 HydrophobicContact CE2-SD 4.01Å; F226-M373 HydrophobicContact CZ-CE 4.03Å; F226-M373 HydrophobicContact CZ-CG 4.48Å; F226-M373 HydrophobicContact CZ-SD 3.57Å; F226-M373 VanDerWaalsContact CZ-SD 3.57Å; M234-M373 HydrophobicContact CB-CE 4.2Å; M234-M373 HydrophobicContact CB-CG 4.44Å; M234-M373 HydrophobicContact CE-CE 3.18Å; M234-M373 HydrophobicContact CG-CE 4.25Å; M234-M373 WeakPolarHBondContact O-CG 3.47Å; M234-M373 HydrophobicContact SD-CE 3.25Å; M234-M373 WeakPolarHBondContact SD-CE 3.11Å; M234-M373 HydrophobicContact SD-CG 4.47Å; V238-M373 HydrophobicContact CB-CB 4.19Å; V238-M373 HydrophobicContact CB-CG 3.93Å; V238-M373 HydrophobicContact CB-SD 4.43Å; A310-M373 HydrophobicContact CB-CE 3.4Å; A310-M373 VanDerWaalsContact CB-CE 3.4Å; A310-M373 HydrophobicContact CB-SD 4.23Å; A370-M373 PolarHBondContact O-N 2.76Å; A370-M373 VanDerWaalsContact O-N 3.09Å; S371-M373 VanDerWaalsContact C-N 3.28Å; S371-M373 PolarHBondContact O-N 3.36Å; M373-V375 PolarHBondContact O-N 2.84Å; M373-I376 HydrophobicContact CE-CD1 3.75Å; M373-I376 PolarHBondContact O-N 2.91Å; M373-I376 VanDerWaalsContact O-N 3.1Å; M373-I376 HydrophobicContact SD-CD1 4.24Å; M373-V377 WeakPolarHBondContact O-CG2 3.42Å; M373-V377 PolarHBondContact O-N 3.17Å |
| 374 | P | 94 | Very high | 93.1 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -53.1 | -36.3 | 172.3 | -28.4 | 32.5 | 0 | 0 | 0 | 114 | A241 T351 A354 I355 L358 A370 S371 V377 A378 | A241-P374 HydrophobicContact CB-CB 4.34Å; A241-P374 HydrophobicContact CB-CG 4.09Å; T351-P374 WeakPolarHBondContact CB-O 3.46Å; T351-P374 HydrophobicContact CG2-CB 4.44Å; T351-P374 VanDerWaalsContact CG2-O 3.25Å; T351-P374 WeakPolarHBondContact CG2-O 2.98Å; A354-P374 HydrophobicContact CB-CB 3.95Å; A354-P374 HydrophobicContact CB-CG 3.68Å; I355-P374 HydrophobicContact CD1-CB 4.24Å; I355-P374 HydrophobicContact CG1-CB 3.67Å; I355-P374 HydrophobicContact CG1-CG 4.12Å; L358-P374 HydrophobicContact CD1-CG 3.78Å; A370-P374 VanDerWaalsContact O-CD 3.24Å; A370-P374 WeakPolarHBondContact O-CD 3.45Å; S371-P374 WeakPolarHBondContact O-CD 3.4Å; P374-V377 PolarHBondContact O-N 3.17Å; P374-A378 WeakPolarHBondContact O-CB 3.42Å; P374-A378 PolarHBondContact O-N 3.1Å |
| 375 | V | 93.6 | Very high | 93.3 | Very high | 41 Ų | 41 | 20.4 Ų | 20.4 | 25% | 0.248 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.8 | -44 | 177 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | M302 M306 I355 V372 M373 A378 L379 | M302-V375 HydrophobicContact SD-CB 4.45Å; M302-V375 HydrophobicContact SD-CG2 3.74Å; M306-V375 HydrophobicContact CE-CG1 4.1Å; I355-V375 HydrophobicContact CD1-CG2 3.86Å; V372-V375 PolarHBondContact O-N 2.01Å; M373-V375 PolarHBondContact O-N 2.84Å; V375-A378 WeakPolarHBondContact O-CB 3.45Å; V375-A378 PolarHBondContact O-N 3.43Å; V375-L379 PolarHBondContact O-N 3.08Å |
| 376 | I | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.8 | -43.8 | 175.7 | -64.7 | 172.5 | 0 | 0 | 0 | 111 | M306 A310 L311 V372 M373 A378 L379 F380 | M306-I376 HydrophobicContact CE-CD1 4.41Å; M306-I376 HydrophobicContact CE-CG1 3.59Å; M306-I376 HydrophobicContact CG-CD1 3.96Å; M306-I376 HydrophobicContact CG-CG1 4.14Å; M306-I376 HydrophobicContact SD-CD1 4.27Å; M306-I376 HydrophobicContact SD-CG1 3.86Å; A310-I376 HydrophobicContact CB-CD1 3.74Å; L311-I376 HydrophobicContact CD2-CD1 4.33Å; L311-I376 HydrophobicContact CD2-CG1 4.33Å; L311-I376 HydrophobicContact CD2-CG2 4.09Å; V372-I376 HydrophobicContact CG1-CD1 3.91Å; V372-I376 HydrophobicContact CG1-CG1 4.28Å; V372-I376 WeakPolarHBondContact O-CG1 3.45Å; V372-I376 PolarHBondContact O-N 2.95Å; M373-I376 HydrophobicContact CE-CD1 3.75Å; M373-I376 PolarHBondContact O-N 2.91Å; M373-I376 VanDerWaalsContact O-N 3.1Å; M373-I376 HydrophobicContact SD-CD1 4.24Å; I376-A378 VanDerWaalsContact C-N 3.32Å; I376-A378 PolarHBondContact O-N 3.2Å; I376-L379 WeakPolarHBondContact O-CB 3.48Å; I376-L379 PolarHBondContact O-N 2.98Å; I376-L379 VanDerWaalsContact O-N 3.13Å; I376-F380 HydrophobicContact CG2-CD2 3.74Å; I376-F380 HydrophobicContact CG2-CE2 3.71Å; I376-F380 WeakPolarHBondContact O-CD2 3.45Å; I376-F380 PolarHBondContact O-N 3.38Å; I376-F380 VanDerWaalsContact O-N 3.16Å |
| 377 | V | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.8 | -49.6 | 175.4 | 169.5 | 0 | 0 | 0 | 0 | 109.6 | A241 V317 P318 T351 M373 P374 L379 F380 T381 | A241-V377 HydrophobicContact CB-CB 4.5Å; A241-V377 HydrophobicContact CB-CG2 4.08Å; V317-V377 HydrophobicContact CB-CG2 4.34Å; P318-V377 HydrophobicContact CG-CG1 4.32Å; T351-V377 HydrophobicContact CG2-CB 4.36Å; T351-V377 HydrophobicContact CG2-CG1 4.1Å; M373-V377 WeakPolarHBondContact O-CG2 3.42Å; M373-V377 PolarHBondContact O-N 3.17Å; P374-V377 PolarHBondContact O-N 3.17Å; V377-L379 PolarHBondContact O-N 2.68Å; V377-F380 PolarHBondContact O-N 3.07Å; V377-F380 VanDerWaalsContact O-N 3.1Å; V377-T381 PolarHBondContact O-N 3.23Å; V377-T381 PolarHBondContact O-OG1 3.41Å |
| 378 | A | 92.5 | Very high | 93.4 | Very high | 38 Ų | 38 | 29.5 Ų | 29.5 | 31% | 0.314 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -57.9 | -35 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T351 P374 V375 I376 P382 | T351-A378 HydrophobicContact CG2-CB 3.91Å; P374-A378 WeakPolarHBondContact O-CB 3.42Å; P374-A378 PolarHBondContact O-N 3.1Å; V375-A378 WeakPolarHBondContact O-CB 3.45Å; V375-A378 PolarHBondContact O-N 3.43Å; I376-A378 VanDerWaalsContact C-N 3.32Å; I376-A378 PolarHBondContact O-N 3.2Å; A378-P382 WeakPolarHBondContact O-CD 3.38Å |
| 379 | L | 92.8 | Very high | 93.4 | Very high | 100 Ų | 100 | 30.9 Ų | 30.9 | 52% | 0.524 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66.8 | -38.3 | 178.1 | -169.9 | 72 | 0 | 0 | 0 | 112 | V375 I376 V377 | V375-L379 PolarHBondContact O-N 3.08Å; I376-L379 WeakPolarHBondContact O-CB 3.48Å; I376-L379 PolarHBondContact O-N 2.98Å; I376-L379 VanDerWaalsContact O-N 3.13Å; V377-L379 PolarHBondContact O-N 2.68Å |
| 380 | F | 94.4 | Very high | 93.4 | Very high | 44 Ų | 44 | 33.1 Ų | 33.1 | 19% | 0.193 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -92.4 | -16.7 | -177.2 | -71.7 | -65.2 | 0 | 0 | 0 | 114.4 | L311 L315 P318 I376 V377 V383 P384 | L311-F380 HydrophobicContact CB-CE2 4.21Å; L311-F380 HydrophobicContact CB-CZ 4.42Å; L311-F380 HydrophobicContact CD2-CE2 3.99Å; L311-F380 HydrophobicContact CD2-CZ 4.32Å; L311-F380 WeakPolarHBondContact O-CE2 3.03Å; L315-F380 HydrophobicContact CB-CB 4.33Å; L315-F380 HydrophobicContact CB-CD1 4.23Å; L315-F380 HydrophobicContact CB-CD2 3.85Å; L315-F380 HydrophobicContact CB-CE2 4.18Å; L315-F380 HydrophobicContact CB-CG 3.88Å; L315-F380 HydrophobicContact CD1-CD1 3.87Å; L315-F380 HydrophobicContact CD1-CE1 3.93Å; L315-F380 HydrophobicContact CD1-CG 4.37Å; L315-F380 HydrophobicContact CD1-CZ 4.45Å; L315-F380 HydrophobicContact CG-CD1 4.28Å; L315-F380 HydrophobicContact CG-CG 4.3Å; P318-F380 HydrophobicContact CG-CB 4.46Å; I376-F380 HydrophobicContact CG2-CD2 3.74Å; I376-F380 HydrophobicContact CG2-CE2 3.71Å; I376-F380 WeakPolarHBondContact O-CD2 3.45Å; I376-F380 PolarHBondContact O-N 3.38Å; I376-F380 VanDerWaalsContact O-N 3.16Å; V377-F380 PolarHBondContact O-N 3.07Å; V377-F380 VanDerWaalsContact O-N 3.1Å; F380-V383 PolarHBondContact O-N 3.43Å; F380-P384 VanDerWaalsContact O-CD 3.24Å; F380-P384 WeakPolarHBondContact O-CD 3.37Å |
| 381 | T | 93.8 | Very high | 93.3 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 7% | 0.074 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -43.6 | 178.6 | -63.1 | 0 | 0 | 0 | 0 | 114.1 | F322 I348 V377 V383 P384 | F322-T381 HydrophobicContact CZ-CG2 4.09Å; I348-T381 HydrophobicContact CB-CG2 4.23Å; I348-T381 HydrophobicContact CG1-CG2 3.7Å; I348-T381 HydrophobicContact CG2-CG2 4.34Å; V377-T381 PolarHBondContact O-N 3.23Å; V377-T381 PolarHBondContact O-OG1 3.41Å; T381-V383 VanDerWaalsContact C-N 3.29Å; T381-V383 PolarHBondContact O-N 2.84Å; T381-P384 WeakPolarHBondContact O-CD 3.5Å |
| 382 | P | 92.2 | Very high | 93.2 | Very high | 39 Ų | 39 | 42.4 Ų | 42.4 | 25% | 0.253 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.7 | -24.9 | -178.7 | -22.1 | 33.9 | 0 | 0 | 0 | 113.7 | A378 V385 L386 | A378-P382 WeakPolarHBondContact O-CD 3.38Å; P382-V385 PolarHBondContact O-N 3.44Å; P382-L386 HydrophobicContact CB-CD1 4.2Å; P382-L386 WeakPolarHBondContact O-CB 3.46Å; P382-L386 VanDerWaalsContact O-CG 3.28Å; P382-L386 WeakPolarHBondContact O-CG 3.4Å; P382-L386 PolarHBondContact O-N 2.98Å |
| 383 | V | 93.6 | Very high | 93 | Very high | 61 Ų | 61 | 46 Ų | 46 | 37% | 0.37 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.5 | -53 | -170 | 176.7 | 0 | 0 | 0 | 0 | 112.4 | W319 F380 T381 V385 L386 V387 | W319-V383 HydrophobicContact CZ2-CG1 4.1Å; F380-V383 PolarHBondContact O-N 3.43Å; T381-V383 VanDerWaalsContact C-N 3.29Å; T381-V383 PolarHBondContact O-N 2.84Å; V383-V385 VanDerWaalsContact C-N 3.27Å; V383-V385 PolarHBondContact O-N 2.56Å; V383-L386 PolarHBondContact O-N 2.74Å; V383-V387 VanDerWaalsContact O-CG2 3.3Å; V383-V387 WeakPolarHBondContact O-CG2 3.5Å; V383-V387 PolarHBondContact O-N 3.18Å |
| 384 | P | 91.3 | Very high | 92.9 | Very high | 27 Ų | 27 | 46.9 Ų | 46.9 | 18% | 0.175 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.9 | -39.1 | 175.3 | -26.9 | 35.9 | 0 | 0 | 0 | 113.5 | W319 F322 F380 T381 V387 A388 | W319-P384 HydrophobicContact CD2-CG 3.85Å; W319-P384 VanDerWaalsContact CE2-CG 3.42Å; W319-P384 HydrophobicContact CG-CG 3.99Å; W319-P384 HydrophobicContact CZ2-CG 3.9Å; W319-P384 VanDerWaalsContact NE1-CG 3.25Å; F322-P384 HydrophobicContact CD2-CB 3.9Å; F322-P384 HydrophobicContact CD2-CG 3.89Å; F322-P384 HydrophobicContact CE2-CB 4Å; F322-P384 HydrophobicContact CE2-CG 3.88Å; F380-P384 VanDerWaalsContact O-CD 3.24Å; F380-P384 WeakPolarHBondContact O-CD 3.37Å; T381-P384 WeakPolarHBondContact O-CD 3.5Å; P384-V387 PolarHBondContact O-N 3.08Å; P384-A388 WeakPolarHBondContact O-CB 3.34Å; P384-A388 PolarHBondContact O-N 2.95Å |
| 385 | V | 92.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.3 | -44.3 | -176.6 | -173.4 | 0 | 0 | 0 | 0 | 110.6 | Y253 L257 F322 L344 P382 V383 V387 A388 M389 | Y253-V385 HydrophobicContact CD1-CB 4.4Å; Y253-V385 HydrophobicContact CD1-CG1 3.28Å; Y253-V385 HydrophobicContact CD2-CG1 4.11Å; Y253-V385 HydrophobicContact CE1-CB 4.45Å; Y253-V385 HydrophobicContact CE1-CG1 3.71Å; Y253-V385 HydrophobicContact CE2-CG1 4.47Å; Y253-V385 HydrophobicContact CG-CG1 3.5Å; Y253-V385 VanDerWaalsContact CG-CG1 3.5Å; L257-V385 HydrophobicContact CD1-CG1 4.06Å; F322-V385 HydrophobicContact CE1-CG2 4.04Å; F322-V385 HydrophobicContact CE2-CG2 4.35Å; F322-V385 HydrophobicContact CZ-CG2 3.67Å; L344-V385 HydrophobicContact CD2-CG1 4.27Å; L344-V385 HydrophobicContact CD2-CG2 3.88Å; P382-V385 PolarHBondContact O-N 3.44Å; V383-V385 VanDerWaalsContact C-N 3.27Å; V383-V385 PolarHBondContact O-N 2.56Å; V385-V387 VanDerWaalsContact C-N 3.35Å; V385-V387 PolarHBondContact O-N 3.06Å; V385-A388 PolarHBondContact O-N 2.94Å; V385-M389 HydrophobicContact CG1-SD 4.32Å; V385-M389 WeakPolarHBondContact O-CB 3.44Å; V385-M389 VanDerWaalsContact O-CG 3.28Å; V385-M389 WeakPolarHBondContact O-CG 3.26Å; V385-M389 PolarHBondContact O-N 2.77Å |
| 386 | L | 93 | Very high | 92.5 | Very high | 96 Ų | 96 | 55.4 Ų | 55.4 | 50% | 0.503 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 175.4 | -69.1 | 175 | 0 | 0 | 0 | 111.9 | P382 V383 M389 A390 | P382-L386 HydrophobicContact CB-CD1 4.2Å; P382-L386 WeakPolarHBondContact O-CB 3.46Å; P382-L386 VanDerWaalsContact O-CG 3.28Å; P382-L386 WeakPolarHBondContact O-CG 3.4Å; P382-L386 PolarHBondContact O-N 2.98Å; V383-L386 PolarHBondContact O-N 2.74Å; L386-M389 HydrophobicContact CD2-SD 4.47Å; L386-M389 PolarHBondContact O-N 3.29Å; L386-A390 VanDerWaalsContact O-CB 3.32Å; L386-A390 WeakPolarHBondContact O-CB 3.32Å; L386-A390 PolarHBondContact O-N 2.88Å |
| 387 | V | 92.6 | Very high | 92.1 | Very high | 95 Ų | 95 | 58.5 Ų | 58.5 | 58% | 0.576 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.7 | -44.7 | 173.6 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | V383 P384 V385 M389 A390 F391 | V383-V387 VanDerWaalsContact O-CG2 3.3Å; V383-V387 WeakPolarHBondContact O-CG2 3.5Å; V383-V387 PolarHBondContact O-N 3.18Å; P384-V387 PolarHBondContact O-N 3.08Å; V385-V387 VanDerWaalsContact C-N 3.35Å; V385-V387 PolarHBondContact O-N 3.06Å; V387-M389 VanDerWaalsContact C-N 3.35Å; V387-M389 PolarHBondContact O-N 2.81Å; V387-A390 PolarHBondContact O-N 3.34Å; V387-F391 WeakPolarHBondContact O-CB 3.26Å; V387-F391 PolarHBondContact O-N 3.05Å |
| 388 | A | 91.5 | Very high | 91.8 | Very high | 43 Ų | 43 | 64.1 Ų | 64.1 | 36% | 0.355 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | L257 P384 V385 F391 Y392 | L257-A388 HydrophobicContact CD1-CB 4.45Å; L257-A388 HydrophobicContact CD2-CB 4.47Å; P384-A388 WeakPolarHBondContact O-CB 3.34Å; P384-A388 PolarHBondContact O-N 2.95Å; V385-A388 PolarHBondContact O-N 2.94Å; A388-F391 PolarHBondContact O-N 3.31Å; A388-Y392 VanDerWaalsContact O-CB 3.26Å; A388-Y392 WeakPolarHBondContact O-CB 3.36Å; A388-Y392 PolarHBondContact O-N 3.36Å |
| 389 | M | 91.9 | Very high | 91.5 | Very high | 30 Ų | 30 | 65.7 Ų | 65.7 | 15% | 0.148 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 175.3 | -74.1 | 176.8 | 67.2 | 0 | 0 | 111.9 | Y253 L256 L257 V385 L386 V387 F391 Y392 Y393 | Y253-M389 HydrophobicContact CD1-SD 4.02Å; Y253-M389 HydrophobicContact CE1-SD 4.16Å; L256-M389 HydrophobicContact CB-CE 4.08Å; L256-M389 HydrophobicContact CB-SD 4.44Å; L256-M389 HydrophobicContact CD1-CE 3.84Å; L256-M389 HydrophobicContact CD1-SD 4.31Å; L256-M389 HydrophobicContact CG-CE 4.4Å; L257-M389 HydrophobicContact CD1-CG 4.42Å; L257-M389 HydrophobicContact CD2-CB 4.34Å; L257-M389 HydrophobicContact CD2-CG 3.6Å; L257-M389 HydrophobicContact CG-CG 3.98Å; V385-M389 HydrophobicContact CG1-SD 4.32Å; V385-M389 WeakPolarHBondContact O-CB 3.44Å; V385-M389 VanDerWaalsContact O-CG 3.28Å; V385-M389 WeakPolarHBondContact O-CG 3.26Å; V385-M389 PolarHBondContact O-N 2.77Å; L386-M389 HydrophobicContact CD2-SD 4.47Å; L386-M389 PolarHBondContact O-N 3.29Å; V387-M389 VanDerWaalsContact C-N 3.35Å; V387-M389 PolarHBondContact O-N 2.81Å; M389-F391 VanDerWaalsContact C-N 3.25Å; M389-F391 PolarHBondContact O-N 2.72Å; M389-Y392 PolarHBondContact O-N 2.82Å; M389-Y393 HydrophobicContact CB-CD2 4.28Å; M389-Y393 HydrophobicContact CE-CE2 4.02Å; M389-Y393 WeakPolarHBondContact O-CB 3.46Å; M389-Y393 WeakPolarHBondContact O-CD2 3.5Å; M389-Y393 PolarHBondContact O-N 2.97Å |
| 390 | A | 92.8 | Very high | 91.2 | Very high | 67 Ų | 67 | 65 Ų | 65 | 55% | 0.554 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59.2 | -39.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L386 V387 G394 | L386-A390 VanDerWaalsContact O-CB 3.32Å; L386-A390 WeakPolarHBondContact O-CB 3.32Å; L386-A390 PolarHBondContact O-N 2.88Å; V387-A390 PolarHBondContact O-N 3.34Å; A390-G394 WeakPolarHBondContact O-CA 3.24Å; A390-G394 PolarHBondContact O-N 2.83Å |
| 391 | F | 92.5 | Very high | 90.7 | Very high | 118 Ų | 118 | 67.1 Ų | 67.1 | 52% | 0.518 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.6 | -45.3 | 174.7 | -177.6 | -101.6 | 0 | 0 | 0 | 112.7 | V387 A388 M389 R395 | V387-F391 WeakPolarHBondContact O-CB 3.26Å; V387-F391 PolarHBondContact O-N 3.05Å; A388-F391 PolarHBondContact O-N 3.31Å; M389-F391 VanDerWaalsContact C-N 3.25Å; M389-F391 PolarHBondContact O-N 2.72Å; F391-R395 VanDerWaalsContact CE1-CZ 3.49Å; F391-R395 VanDerWaalsContact CE1-NH1 3.3Å; F391-R395 VanDerWaalsContact CZ-NH2 3.29Å; F391-R395 PolarHBondContact O-N 3.39Å |
| 392 | Y | 90.9 | Very high | 90.2 | Very high | 77 Ų | 77 | 74.8 Ų | 74.8 | 30% | 0.302 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.6 | -58.2 | -179.8 | -178.1 | -112.5 | 0 | 0 | 0 | 111.7 | L257 D258 A388 M389 G394 R395 I396 | L257-Y392 HydrophobicContact CD2-CG 4.49Å; D258-Y392 WeakPolarHBondContact OD2-CE1 3.42Å; D258-Y392 VanDerWaalsContact OD2-CZ 3.28Å; D258-Y392 PolarHBondContact OD2-OH 2.9Å; A388-Y392 VanDerWaalsContact O-CB 3.26Å; A388-Y392 WeakPolarHBondContact O-CB 3.36Å; A388-Y392 PolarHBondContact O-N 3.36Å; M389-Y392 PolarHBondContact O-N 2.82Å; Y392-G394 VanDerWaalsContact C-N 3.33Å; Y392-G394 PolarHBondContact O-N 2.93Å; Y392-R395 PolarHBondContact O-N 2.92Å; Y392-I396 HydrophobicContact CD1-CD1 4.3Å; Y392-I396 HydrophobicContact CE1-CD1 3.87Å; Y392-I396 HydrophobicContact CE2-CD1 4.31Å; Y392-I396 PolarHBondContact O-N 3.46Å |
| 393 | Y | 92.3 | Very high | 89.8 | Confident | 77 Ų | 77 | 78.6 Ų | 78.6 | 30% | 0.302 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.6 | -33.4 | 177.5 | -71.6 | -66.9 | 0 | 0 | 0 | 111.9 | L256 M389 R395 I396 W397 | L256-Y393 PolarHBondContact O-OH 2.91Å; M389-Y393 HydrophobicContact CB-CD2 4.28Å; M389-Y393 HydrophobicContact CE-CE2 4.02Å; M389-Y393 WeakPolarHBondContact O-CB 3.46Å; M389-Y393 WeakPolarHBondContact O-CD2 3.5Å; M389-Y393 PolarHBondContact O-N 2.97Å; Y393-R395 VanDerWaalsContact C-N 3.32Å; Y393-R395 PolarHBondContact O-N 3.41Å; Y393-I396 PolarHBondContact O-N 3.03Å; Y393-I396 VanDerWaalsContact O-N 3.1Å; Y393-W397 WeakPolarHBondContact O-CB 3.28Å; Y393-W397 VanDerWaalsContact O-CD1 3.29Å; Y393-W397 PolarHBondContact O-N 3.49Å |
| 394 | G | 91.9 | Very high | 89.1 | Confident | 17 Ų | 17 | 83.5 Ų | 83.5 | 18% | 0.175 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -55.8 | -45.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A390 Y392 I396 W397 L398 | A390-G394 WeakPolarHBondContact O-CA 3.24Å; A390-G394 PolarHBondContact O-N 2.83Å; Y392-G394 VanDerWaalsContact C-N 3.33Å; Y392-G394 PolarHBondContact O-N 2.93Å; G394-I396 VanDerWaalsContact C-N 3.28Å; G394-I396 PolarHBondContact O-N 2.89Å; G394-W397 PolarHBondContact O-N 2.92Å; G394-L398 WeakPolarHBondContact O-CB 3.48Å; G394-L398 WeakPolarHBondContact O-CD1 3.22Å; G394-L398 WeakPolarHBondContact O-CG 3.28Å; G394-L398 PolarHBondContact O-N 2.95Å |
| 395 | R | 91.2 | Very high | 88.5 | Confident | 175 Ų | 175 | 89.9 Ų | 89.9 | 66% | 0.66 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.4 | -33.3 | 176.2 | -83.8 | -170.8 | 170 | 159.6 | -3.7 | 114 | F391 Y392 Y393 P399 | F391-R395 VanDerWaalsContact CE1-CZ 3.49Å; F391-R395 VanDerWaalsContact CE1-NH1 3.3Å; F391-R395 VanDerWaalsContact CZ-NH2 3.29Å; F391-R395 PolarHBondContact O-N 3.39Å; Y392-R395 PolarHBondContact O-N 2.92Å; Y393-R395 VanDerWaalsContact C-N 3.32Å; Y393-R395 PolarHBondContact O-N 3.41Å; R395-P399 VanDerWaalsContact O-CD 3.23Å; R395-P399 WeakPolarHBondContact O-CD 3.48Å; R395-P399 WeakPolarHBondContact O-CG 3.35Å |
| 396 | I | 88.8 | Confident | 87.6 | Confident | 46 Ų | 46 | 96.3 Ų | 96.3 | 24% | 0.236 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -78.4 | -43.7 | -179.5 | -63.2 | 169.4 | 0 | 0 | 0 | 110.8 | Y392 Y393 G394 | Y392-I396 HydrophobicContact CD1-CD1 4.3Å; Y392-I396 HydrophobicContact CE1-CD1 3.87Å; Y392-I396 HydrophobicContact CE2-CD1 4.31Å; Y392-I396 PolarHBondContact O-N 3.46Å; Y393-I396 PolarHBondContact O-N 3.03Å; Y393-I396 VanDerWaalsContact O-N 3.1Å; G394-I396 VanDerWaalsContact C-N 3.28Å; G394-I396 PolarHBondContact O-N 2.89Å |
| 397 | W | 87.3 | Confident | 86.5 | Confident | 64 Ų | 64 | 99.3 Ų | 99.3 | 24% | 0.242 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -95.2 | -31.4 | -168.6 | -74.2 | 94.2 | 0 | 0 | 0 | 114 | Y393 G394 K400 L401 I427 | Y393-W397 WeakPolarHBondContact O-CB 3.28Å; Y393-W397 VanDerWaalsContact O-CD1 3.29Å; Y393-W397 PolarHBondContact O-N 3.49Å; G394-W397 PolarHBondContact O-N 2.92Å; W397-K400 PolarHBondContact O-N 3.43Å; W397-L401 HydrophobicContact CB-CD1 4.18Å; W397-L401 WeakPolarHBondContact O-CB 3.21Å; W397-L401 WeakPolarHBondContact O-CG 3.44Å; W397-L401 PolarHBondContact O-N 2.98Å; W397-I427 HydrophobicContact CE3-CG2 4.43Å; W397-I427 HydrophobicContact CH2-CB 4.11Å; W397-I427 HydrophobicContact CH2-CG2 3.29Å; W397-I427 HydrophobicContact CZ2-CG2 4.33Å; W397-I427 HydrophobicContact CZ3-CB 4.17Å; W397-I427 HydrophobicContact CZ3-CD1 3.95Å; W397-I427 HydrophobicContact CZ3-CG2 3.37Å |
| 398 | L | 87.4 | Confident | 85 | Confident | 118 Ų | 118 | 97.3 Ų | 97.3 | 62% | 0.618 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -57.9 | -43.1 | 179.6 | -75.3 | 163.6 | 0 | 0 | 0 | 112.8 | G394 R402 | G394-L398 WeakPolarHBondContact O-CB 3.48Å; G394-L398 WeakPolarHBondContact O-CD1 3.22Å; G394-L398 WeakPolarHBondContact O-CG 3.28Å; G394-L398 PolarHBondContact O-N 2.95Å; L398-R402 VanDerWaalsContact O-CB 3.24Å; L398-R402 WeakPolarHBondContact O-CB 3.3Å; L398-R402 PolarHBondContact O-N 2.89Å |
| 399 | P | 86.6 | Confident | 83.3 | Confident | 71 Ų | 71 | 103 Ų | 103 | 46% | 0.461 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 175.2 | -22.4 | 34.8 | 0 | 0 | 0 | 112.4 | R395 L401 R402 E403 | R395-P399 VanDerWaalsContact O-CD 3.23Å; R395-P399 WeakPolarHBondContact O-CD 3.48Å; R395-P399 WeakPolarHBondContact O-CG 3.35Å; P399-L401 PolarHBondContact O-N 3.38Å; P399-R402 WeakPolarHBondContact O-CB 3.34Å; P399-R402 PolarHBondContact O-N 3.44Å; P399-E403 PolarHBondContact O-N 3.29Å |
| 400 | K | 86 | Confident | 81.2 | Confident | 86 Ų | 86 | 104.5 Ų | 104.5 | 37% | 0.374 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 178.1 | -67 | -174.6 | 177.6 | -173.5 | 0 | 112.2 | W397 R402 E403 Y404 | W397-K400 PolarHBondContact O-N 3.43Å; K400-R402 VanDerWaalsContact C-N 3.34Å; K400-E403 PolarHBondContact O-N 2.9Å; K400-Y404 WeakPolarHBondContact O-CB 3.38Å; K400-Y404 PolarHBondContact O-N 2.87Å |
| 401 | L | 84.4 | Confident | 78.9 | Confident | 89 Ų | 89 | 106.7 Ų | 106.7 | 47% | 0.466 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 174.8 | -84.2 | 155.8 | 0 | 0 | 0 | 111.6 | W397 P399 Y404 W405 | W397-L401 HydrophobicContact CB-CD1 4.18Å; W397-L401 WeakPolarHBondContact O-CB 3.21Å; W397-L401 WeakPolarHBondContact O-CG 3.44Å; W397-L401 PolarHBondContact O-N 2.98Å; P399-L401 PolarHBondContact O-N 3.38Å; L401-Y404 PolarHBondContact O-N 3.02Å; L401-W405 WeakPolarHBondContact O-CB 3.43Å; L401-W405 PolarHBondContact O-N 2.9Å |
| 402 | R | 84.1 | Confident | 76.6 | Confident | 173 Ų | 173 | 105 Ų | 105 | 65% | 0.653 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.7 | -39.3 | 177.8 | -171.1 | 177.4 | -172.9 | -178.5 | 1.5 | 111.6 | L398 P399 K400 K406 | L398-R402 VanDerWaalsContact O-CB 3.24Å; L398-R402 WeakPolarHBondContact O-CB 3.3Å; L398-R402 PolarHBondContact O-N 2.89Å; P399-R402 WeakPolarHBondContact O-CB 3.34Å; P399-R402 PolarHBondContact O-N 3.44Å; K400-R402 VanDerWaalsContact C-N 3.34Å; R402-K406 WeakPolarHBondContact O-CB 3.46Å; R402-K406 VanDerWaalsContact O-CG 3.25Å; R402-K406 WeakPolarHBondContact O-CG 3.4Å; R402-K406 PolarHBondContact O-N 2.9Å |
| 403 | E | 82.2 | Confident | 74.5 | Confident | 119 Ų | 119 | 108.3 Ų | 108.3 | 56% | 0.556 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.3 | -49.1 | 171.9 | -76.1 | -179.4 | 173.6 | 0 | 0 | 111.2 | P399 K400 W405 K406 F407 | P399-E403 PolarHBondContact O-N 3.29Å; K400-E403 PolarHBondContact O-N 2.9Å; E403-W405 VanDerWaalsContact C-N 3.29Å; E403-W405 PolarHBondContact O-N 3.4Å; E403-K406 PolarHBondContact O-N 3.18Å; E403-F407 VanDerWaalsContact O-CD2 3.3Å; E403-F407 WeakPolarHBondContact O-CD2 3.47Å; E403-F407 PolarHBondContact O-N 2.88Å |
| 404 | Y | 79 | Confident | 72.1 | Confident | 163 Ų | 163 | 115.4 Ų | 115.4 | 64% | 0.639 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -55.3 | -43.1 | 176.6 | -172.8 | -90.4 | 0 | 0 | 0 | 112.1 | K400 L401 G408 | K400-Y404 WeakPolarHBondContact O-CB 3.38Å; K400-Y404 PolarHBondContact O-N 2.87Å; L401-Y404 PolarHBondContact O-N 3.02Å; Y404-G408 VanDerWaalsContact O-CA 3.32Å; Y404-G408 WeakPolarHBondContact O-CA 3.33Å; Y404-G408 PolarHBondContact O-N 3.31Å |
| 405 | W | 78.3 | Confident | 69.5 | Low | 162 Ų | 162 | 121.3 Ų | 121.3 | 61% | 0.614 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.1 | -33.8 | 176.4 | -96.3 | 79.8 | 0 | 0 | 0 | 114 | L401 E403 K409 | L401-W405 WeakPolarHBondContact O-CB 3.43Å; L401-W405 PolarHBondContact O-N 2.9Å; E403-W405 VanDerWaalsContact C-N 3.29Å; E403-W405 PolarHBondContact O-N 3.4Å; W405-K409 HydrophobicContact CE3-CD 4.17Å; W405-K409 HydrophobicContact CE3-CG 4.39Å; W405-K409 HydrophobicContact CZ3-CD 4.34Å; W405-K409 PolarHBondContact O-N 3.44Å |
| 406 | K | 75.2 | Confident | 66.9 | Low | 136 Ų | 136 | 122.2 Ų | 122.2 | 59% | 0.591 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.1 | -44.1 | 176.1 | -79.6 | 176.7 | 177.1 | -173.9 | 0 | 111.7 | R402 E403 | R402-K406 WeakPolarHBondContact O-CB 3.46Å; R402-K406 VanDerWaalsContact O-CG 3.25Å; R402-K406 WeakPolarHBondContact O-CG 3.4Å; R402-K406 PolarHBondContact O-N 2.9Å; E403-K406 PolarHBondContact O-N 3.18Å |
| 407 | F | 70.2 | Confident | 64.4 | Low | 160 Ų | 160 | 123.6 Ų | 123.6 | 70% | 0.702 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -81.8 | -34.8 | 179.6 | -72 | -74.9 | 0 | 0 | 0 | 112.6 | E403 K409 G410 | E403-F407 VanDerWaalsContact O-CD2 3.3Å; E403-F407 WeakPolarHBondContact O-CD2 3.47Å; E403-F407 PolarHBondContact O-N 2.88Å; F407-K409 PolarHBondContact O-N 3.45Å; F407-G410 PolarHBondContact O-N 3.43Å; F407-G410 VanDerWaalsContact O-N 3.14Å |
| 408 | G | 61.5 | Low | 61.8 | Low | 52 Ų | 52 | 127.3 Ų | 127.3 | 54% | 0.536 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -69.1 | -26.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y404 | Y404-G408 VanDerWaalsContact O-CA 3.32Å; Y404-G408 WeakPolarHBondContact O-CA 3.33Å; Y404-G408 PolarHBondContact O-N 3.31Å |
| 409 | K | 54.5 | Low | 59.4 | Low | 162 Ų | 162 | 127.4 Ų | 127.4 | 70% | 0.704 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -18 | 170.8 | -81.9 | -168.9 | 169.6 | 176.5 | 0 | 114.2 | W405 F407 | W405-K409 HydrophobicContact CE3-CD 4.17Å; W405-K409 HydrophobicContact CE3-CG 4.39Å; W405-K409 HydrophobicContact CZ3-CD 4.34Å; W405-K409 PolarHBondContact O-N 3.44Å; F407-K409 PolarHBondContact O-N 3.45Å |
| 410 | G | 48 | Very low | 56.8 | Low | 63 Ų | 63 | 133.6 Ų | 133.6 | 65% | 0.649 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -15.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F407 S412 | F407-G410 PolarHBondContact O-N 3.43Å; F407-G410 VanDerWaalsContact O-N 3.14Å; G410-S412 PolarHBondContact O-N 2.91Å |
| 411 | V | 45.3 | Very low | 54.3 | Low | 112 Ų | 112 | 134.2 Ų | 134.2 | 68% | 0.679 | 70% | 0.698 | S | S | * | * | trans | -95.4 | 83.7 | -179.8 | -172.3 | 0 | 0 | 0 | 0 | 109.2 | V413 | V411-V413 PolarHBondContact O-N 2.88Š| ||
| 412 | S | 43.4 | Very low | 52 | Low | 84 Ų | 84 | 135.6 Ų | 135.6 | 59% | 0.587 | 72% | 0.715 | S | S | * | * | trans | -63 | 127.7 | 156.5 | 83.1 | 0 | 0 | 0 | 0 | 107.5 | G410 R414 | G410-S412 PolarHBondContact O-N 2.91Å; S412-R414 PolarHBondContact O-N 3.25Å | ||
| 413 | V | 47.1 | Very low | 49.7 | Very low | 146 Ų | 146 | 131.1 Ų | 131.1 | 89% | 0.885 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 32.4 | -174.9 | -178.5 | 0 | 0 | 0 | 0 | 112.4 | V411 | V411-V413 PolarHBondContact O-N 2.88Š|
| 414 | R | 42.2 | Very low | 47.6 | Very low | 226 Ų | 226 | 129.6 Ų | 129.6 | 85% | 0.853 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | -8 | -177.6 | -98.2 | -175 | 179.2 | 167.2 | 1 | 117.4 | S412 | S412-R414 PolarHBondContact O-N 3.25Š|
| 415 | D | 37.3 | Very low | 45.6 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -125.2 | 95.2 | 177.4 | -78.9 | -36.8 | 0 | 0 | 0 | 112.2 | ||
| 416 | K | 35.4 | Very low | 43.8 | Very low | 194 Ų | 194 | 125.7 Ų | 125.7 | 84% | 0.843 | 73% | 0.725 | S | S | * | * | 143.5 | 98.4 | 125.7 | -77.4 | 176.3 | -177.5 | -179.1 | 0 | 111.1 | N418 | K416-N418 PolarHBondContact O-N 2.89Å; K416-N418 VanDerWaalsContact O-N 3.15Å | |||
| 417 | G | 37.8 | Very low | 42.4 | Very low | 74 Ų | 74 | 124.3 Ų | 124.3 | 76% | 0.763 | 72% | 0.723 | S | S | * | * | trans | -55.7 | 111.4 | 145 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 418 | N | 32.9 | Very low | 41.1 | Very low | 143 Ų | 143 | 124.3 Ų | 124.3 | 77% | 0.765 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 164.4 | 99.3 | 149 | -84.9 | -10.7 | 0 | 0 | 0 | 105.9 | K416 F420 | K416-N418 PolarHBondContact O-N 2.89Å; K416-N418 VanDerWaalsContact O-N 3.15Å; N418-F420 PolarHBondContact O-N 3.5Å |
| 419 | S | 35.7 | Very low | 40.3 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | trans | 16.7 | 82.7 | 148.6 | 57.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 420 | F | 33 | Very low | 39.9 | Very low | 202 Ų | 202 | 123.9 Ų | 123.9 | 89% | 0.886 | 71% | 0.714 | S | S | * | * | trans | -123.5 | 122.8 | 155.1 | -135.5 | -96.8 | 0 | 0 | 0 | 108.8 | N418 S422 | N418-F420 PolarHBondContact O-N 3.5Å; F420-S422 PolarHBondContact O-N 2.92Å | ||
| 421 | S | 32.1 | Very low | 39.7 | Very low | 99 Ų | 99 | 128.7 Ų | 128.7 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | trans | -34.5 | 122.6 | 178.9 | -172.7 | 0 | 0 | 0 | 0 | 112.2 | A423 | S421-A423 PolarHBondContact O-N 3.34Š| ||
| 422 | S | 35.8 | Very low | 39.8 | Very low | 118 Ų | 118 | 129.2 Ų | 129.2 | 83% | 0.825 | 71% | 0.71 | S | S | * | * | trans | -63.6 | 75.8 | 164.6 | 169.1 | 0 | 0 | 0 | 0 | 109.3 | F420 | F420-S422 PolarHBondContact O-N 2.92Š| ||
| 423 | A | 36.8 | Very low | 39.7 | Very low | 78 Ų | 78 | 133 Ų | 133 | 65% | 0.645 | 72% | 0.724 | S | S | * | * | trans | -105.3 | 58.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | S421 E425 | S421-A423 PolarHBondContact O-N 3.34Å; A423-E425 PolarHBondContact O-N 2.98Å | ||
| 424 | A | 39.1 | Very low | 39.2 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 72% | 0.719 | 71% | 0.708 | S | S | * | * | trans | -67.6 | 83.5 | 142.3 | 0 | 0 | 0 | 0 | 0 | 104.8 | P426 | A424-P426 WeakPolarHBondContact O-CD 3.41Å; A424-P426 VanDerWaalsContact O-N 3.08Å | ||
| 425 | E | 36.7 | Very low | 38.6 | Very low | 145 Ų | 145 | 123.5 Ų | 123.5 | 68% | 0.678 | 69% | 0.694 | S | S | * | * | trans | -54.3 | 119.4 | 176.6 | -160.1 | 166.8 | -161.3 | 0 | 0 | 106.5 | A423 I427 | A423-E425 PolarHBondContact O-N 2.98Å; E425-I427 PolarHBondContact O-N 3.38Å | ||
| 426 | P | 39 | Very low | 38.4 | Very low | 99 Ų | 99 | 123.1 Ų | 123.1 | 64% | 0.643 | 70% | 0.699 | S | S | * | * | trans | -56.8 | 134.1 | -177.1 | 21.6 | -31.8 | 0 | 0 | 0 | 107.3 | A424 R428 | A424-P426 WeakPolarHBondContact O-CD 3.41Å; A424-P426 VanDerWaalsContact O-N 3.08Å; P426-R428 VanDerWaalsContact C-N 3.29Å; P426-R428 PolarHBondContact O-N 3.44Å | ||
| 427 | I | 46.2 | Very low | 38.4 | Very low | 106 Ų | 106 | 118.2 Ų | 118.2 | 54% | 0.544 | 69% | 0.689 | S | S | . | * | trans | -61.6 | 96.2 | -176.5 | -50.3 | 170.4 | 0 | 0 | 0 | 107.9 | W397 E425 | W397-I427 HydrophobicContact CE3-CG2 4.43Å; W397-I427 HydrophobicContact CH2-CB 4.11Å; W397-I427 HydrophobicContact CH2-CG2 3.29Å; W397-I427 HydrophobicContact CZ2-CG2 4.33Å; W397-I427 HydrophobicContact CZ3-CB 4.17Å; W397-I427 HydrophobicContact CZ3-CD1 3.95Å; W397-I427 HydrophobicContact CZ3-CG2 3.37Å; E425-I427 PolarHBondContact O-N 3.38Å | ||
| 428 | R | 42.4 | Very low | 38 | Very low | 160 Ų | 160 | 122 Ų | 122 | 60% | 0.604 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 137.3 | 175.9 | -65.2 | -172 | -166.3 | -173.4 | 5.9 | 107.9 | P426 | P426-R428 VanDerWaalsContact C-N 3.29Å; P426-R428 PolarHBondContact O-N 3.44Å |
| 429 | L | 46 | Very low | 37.7 | Very low | 138 Ų | 138 | 119.1 Ų | 119.1 | 72% | 0.723 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 140.6 | 165.6 | -68.5 | 170 | 0 | 0 | 0 | 107.9 | E431 | L429-E431 PolarHBondContact O-N 3.28Å; L429-E431 VanDerWaalsContact O-N 3.12Å |
| 430 | P | 44.9 | Very low | 37.4 | Very low | 67 Ų | 67 | 121.2 Ų | 121.2 | 44% | 0.435 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -52.9 | 124.2 | 176 | 20.4 | -29.4 | 0 | 0 | 0 | 109.4 | R432 | P430-R432 PolarHBondContact O-N 3.01Š|
| 431 | E | 45.6 | Very low | 37.2 | Very low | 164 Ų | 164 | 116.5 Ų | 116.5 | 77% | 0.766 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 132.3 | 172.6 | -77.8 | 178.5 | -178.8 | 0 | 0 | 108.8 | L429 | L429-E431 PolarHBondContact O-N 3.28Å; L429-E431 VanDerWaalsContact O-N 3.12Å |
| 432 | R | 46.6 | Very low | 37.3 | Very low | 124 Ų | 124 | 121.3 Ų | 121.3 | 47% | 0.468 | 70% | 0.703 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 132.8 | -173.5 | -172.2 | 178.8 | -176.3 | -114.7 | -2.3 | 110.2 | P430 E434 | P430-R432 PolarHBondContact O-N 3.01Å; R432-E434 HydrophobicContact CB-CG 4.3Å; R432-E434 HydrophobicContact CG-CG 4.13Å; R432-E434 IonicContact CZ-OE1 3.98Å; R432-E434 IonicContact NH1-OE1 2.9Å; R432-E434 PolarHBondContact NH1-OE1 2.89Å; R432-E434 PolarHBondContact O-N 3.12Å |
| 433 | N | 41.2 | Very low | 36.9 | Very low | 164 Ų | 164 | 121 Ų | 121 | 88% | 0.877 | 70% | 0.701 | S | S | * | * | trans | -70.7 | 83.2 | 160 | -85.3 | -20.9 | 0 | 0 | 0 | 107.9 | G435 | N433-G435 PolarHBondContact O-N 3.16Å; N433-G435 VanDerWaalsContact O-N 3.07Å | ||
| 434 | E | 35.9 | Very low | 36.6 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 55% | 0.547 | 71% | 0.714 | S | S | . | * | trans | -64.1 | 110.9 | 165.2 | -55 | -146.5 | 136.4 | 0 | 0 | 106.9 | R432 | R432-E434 HydrophobicContact CB-CG 4.3Å; R432-E434 HydrophobicContact CG-CG 4.13Å; R432-E434 IonicContact CZ-OE1 3.98Å; R432-E434 IonicContact NH1-OE1 2.9Å; R432-E434 PolarHBondContact NH1-OE1 2.89Å; R432-E434 PolarHBondContact O-N 3.12Å | ||
| 435 | G | 30.8 | Very low | 36 | Very low | 55 Ų | 55 | 126.1 Ų | 126.1 | 57% | 0.567 | 72% | 0.718 | S | S | * | * | trans | -52.5 | 158.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | N433 S437 | N433-G435 PolarHBondContact O-N 3.16Å; N433-G435 VanDerWaalsContact O-N 3.07Å; G435-S437 PolarHBondContact O-N 2.7Å | ||
| 436 | P | 32.8 | Very low | 35.8 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 86% | 0.857 | 72% | 0.718 | S | S | * | * | trans | -56.2 | 101.5 | -162.4 | 23.4 | -33.1 | 0 | 0 | 0 | 111 | N438 | P436-N438 PolarHBondContact O-N 3.35Š| ||
| 437 | S | 36.2 | Very low | 35.2 | Very low | 92 Ų | 92 | 124.8 Ų | 124.8 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | trans | -73.5 | 108.6 | 164.9 | 44.6 | 0 | 0 | 0 | 0 | 105.8 | G435 G439 | G435-S437 PolarHBondContact O-N 2.7Å; S437-G439 PolarHBondContact O-N 2.85Å; S437-G439 VanDerWaalsContact O-N 3.16Å | ||
| 438 | N | 28.7 | Very low | 34.6 | Very low | 154 Ų | 154 | 129.9 Ų | 129.9 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | trans | -48.8 | 125.4 | 167.9 | -78.9 | -21.7 | 0 | 0 | 0 | 108.1 | P436 L440 | P436-N438 PolarHBondContact O-N 3.35Å; N438-L440 PolarHBondContact O-N 3.14Å | ||
| 439 | G | 27.3 | Very low | 34.3 | Very low | 81 Ų | 81 | 136.5 Ų | 136.5 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -46.9 | 107.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S437 | S437-G439 PolarHBondContact O-N 2.85Å; S437-G439 VanDerWaalsContact O-N 3.16Å |
| 440 | L | 27.9 | Very low | 33.7 | Very low | 163 Ų | 163 | 136.5 Ų | 136.5 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -134.8 | 104.6 | 153.5 | -94.1 | 158.6 | 0 | 0 | 0 | 105.1 | N438 K442 | N438-L440 PolarHBondContact O-N 3.14Å; L440-K442 PolarHBondContact O-N 3.28Å; L440-K442 VanDerWaalsContact O-N 3.08Å | ||
| 441 | A | 30.1 | Very low | 33.1 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -44.3 | 113.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | S443 | A441-S443 PolarHBondContact O-N 2.87Š| ||
| 442 | K | 33.2 | Very low | 32.4 | Very low | 200 Ų | 200 | 138.8 Ų | 138.8 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | trans | -81.8 | 103.6 | 158 | -83.5 | -175.6 | 178 | 174.3 | 0 | 106.5 | L440 | L440-K442 PolarHBondContact O-N 3.28Å; L440-K442 VanDerWaalsContact O-N 3.08Å | ||
| 443 | S | 28.8 | Very low | 31.6 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -52.2 | 136.7 | 168.3 | 59.4 | 0 | 0 | 0 | 0 | 110.4 | A441 | A441-S443 PolarHBondContact O-N 2.87Š| ||
| 444 | E | 28.5 | Very low | 31 | Very low | 196 Ų | 196 | 138.1 Ų | 138.1 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -48.3 | 144.5 | 162.3 | -61.2 | 174.2 | 147.5 | 0 | 0 | 111.1 | ||
| 445 | G | 28 | Very low | 30.7 | Very low | 78 Ų | 78 | 139.5 Ų | 139.5 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 116.2 | 85.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 446 | A | 31.1 | Very low | 30.6 | Very low | 83 Ų | 83 | 145.6 Ų | 145.6 | 69% | 0.686 | 84% | 0.838 | S | S | * | * | trans | -157.4 | 80.9 | 143.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y448 | A446-Y448 HydrophobicContact CB-CD2 4.24Å; A446-Y448 HydrophobicContact CB-CE2 4.27Å | ||
| 447 | V | 27.9 | Very low | 30.5 | Very low | 132 Ų | 132 | 146.6 Ų | 146.6 | 80% | 0.8 | 84% | 0.836 | S | S | * | * | trans | -79.6 | 112.5 | 158.7 | 177.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 448 | Y | 32.7 | Very low | 30 | Very low | 214 Ų | 214 | 151.2 Ų | 151.2 | 84% | 0.839 | 85% | 0.852 | S | S | * | * | trans | -116.4 | 128.2 | 162.7 | -79.8 | -82.1 | 0 | 0 | 0 | 107.9 | A446 | A446-Y448 HydrophobicContact CB-CD2 4.24Å; A446-Y448 HydrophobicContact CB-CE2 4.27Å | ||
| 449 | Y | 36 | Very low | 30.1 | Very low | 299 Ų | 299 | 150.9 Ų | 150.9 | 100% | 1.173 | 86% | 0.855 | S | S | * | * | trans | -54.9 | 0 | -178 | -74.4 | -88.7 | 0 | 0 | 0 | 113.9 |
Retrieved 449 of 449 residues in 356.1 ms
(Link to these results)