| 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 | S | 55.6 | Low | 70.2 | Confident | 134 Ų | 134 | 97.7 Ų | 97.7 | 94% | 0.937 | 58% | 0.582 | S | S | * | * | 0 | -25.2 | 0 | -55.2 | 0 | 0 | 0 | 0 | 115.4 | T4 | S1-T4 PolarHBondContact O-OG1 3.12Š| |||
| 2 | V | 60.1 | Low | 71.7 | Confident | 105 Ų | 105 | 100 Ų | 100 | 64% | 0.636 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.9 | -41.5 | 179.9 | -179.6 | 0 | 0 | 0 | 0 | 112.4 | T4 M5 V6 | V2-T4 VanDerWaalsContact C-N 3.31Å; V2-T4 PolarHBondContact O-N 3.18Å; V2-M5 PolarHBondContact O-N 3.49Å; V2-V6 WeakPolarHBondContact O-CG2 3.15Å; V2-V6 PolarHBondContact O-N 2.04Å |
| 3 | S | 58.3 | Low | 72.9 | Confident | 90 Ų | 90 | 100.7 Ų | 100.7 | 63% | 0.629 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.4 | -29.5 | -178 | -34.5 | 0 | 0 | 0 | 0 | 113.9 | N7 | S3-N7 PolarHBondContact O-N 3.44Å |
| 4 | T | 63.3 | Low | 73.9 | Confident | 97 Ų | 97 | 97.6 Ų | 97.6 | 60% | 0.595 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -76.5 | -33.3 | 178.1 | 51.2 | 0 | 0 | 0 | 0 | 112.1 | S1 V2 A8 | S1-T4 PolarHBondContact O-OG1 3.12Å; V2-T4 VanDerWaalsContact C-N 3.31Å; V2-T4 PolarHBondContact O-N 3.18Å; T4-A8 WeakPolarHBondContact O-CB 3.4Å; T4-A8 PolarHBondContact O-N 3.24Å; T4-A8 VanDerWaalsContact O-N 3.12Å |
| 5 | M | 61.5 | Low | 74.9 | Confident | 116 Ų | 116 | 94.9 Ų | 94.9 | 57% | 0.571 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.1 | -42 | 173.4 | -76.6 | -172.4 | -66.2 | 0 | 0 | 111.6 | V2 N7 A8 T9 | V2-M5 PolarHBondContact O-N 3.49Å; M5-N7 PolarHBondContact O-N 2.03Å; M5-A8 PolarHBondContact O-N 2.83Å; M5-T9 WeakPolarHBondContact O-CG2 3.04Å; M5-T9 PolarHBondContact O-N 2.94Å; M5-T9 PolarHBondContact O-OG1 2.02Å; M5-T9 VanDerWaalsContact O-OG1 3.13Å |
| 6 | V | 69.8 | Low | 75.6 | Confident | 68 Ų | 68 | 92.3 Ų | 92.3 | 41% | 0.412 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.2 | -43 | 177.9 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | V2 T9 M10 | V2-V6 WeakPolarHBondContact O-CG2 3.15Å; V2-V6 PolarHBondContact O-N 2.04Å; V6-T9 WeakPolarHBondContact CA-OG1 3.13Å; V6-T9 PolarHBondContact O-N 2.83Å; V6-T9 PolarHBondContact O-OG1 3.43Å; V6-M10 WeakPolarHBondContact O-CG 3.17Å; V6-M10 PolarHBondContact O-N 3.47Å |
| 7 | N | 72.6 | Confident | 76.1 | Confident | 107 Ų | 107 | 91 Ų | 91 | 57% | 0.572 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.2 | -40.8 | 176.7 | -73.5 | 2.1 | 0 | 0 | 0 | 112.3 | S3 M5 M10 L11 | S3-N7 PolarHBondContact O-N 3.44Å; M5-N7 PolarHBondContact O-N 2.03Å; N7-M10 PolarHBondContact O-N 2.74Å; N7-L11 VanDerWaalsContact O-CG 3.29Å; N7-L11 WeakPolarHBondContact O-CG 3.03Å; N7-L11 PolarHBondContact O-N 3.37Å; N7-L11 VanDerWaalsContact O-N 3.07Å |
| 8 | A | 81.1 | Confident | 76.6 | Confident | 50 Ų | 50 | 97.6 Ų | 97.6 | 41% | 0.413 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.6 | -42.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T4 M5 M10 L11 L12 | T4-A8 WeakPolarHBondContact O-CB 3.4Å; T4-A8 PolarHBondContact O-N 3.24Å; T4-A8 VanDerWaalsContact O-N 3.12Å; M5-A8 PolarHBondContact O-N 2.83Å; A8-M10 PolarHBondContact O-N 3.25Å; A8-L11 PolarHBondContact O-N 2.86Å; A8-L12 WeakPolarHBondContact O-CG 3.45Å; A8-L12 PolarHBondContact O-N 2.97Å |
| 9 | T | 79.8 | Confident | 77 | Confident | 71 Ų | 71 | 98.3 Ų | 98.3 | 44% | 0.436 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.7 | -39.7 | 176.4 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | M5 V6 L11 L12 L13 | M5-T9 WeakPolarHBondContact O-CG2 3.04Å; M5-T9 PolarHBondContact O-N 2.94Å; M5-T9 PolarHBondContact O-OG1 2.02Å; M5-T9 VanDerWaalsContact O-OG1 3.13Å; V6-T9 WeakPolarHBondContact CA-OG1 3.13Å; V6-T9 PolarHBondContact O-N 2.83Å; V6-T9 PolarHBondContact O-OG1 3.43Å; T9-L11 VanDerWaalsContact C-N 3.33Å; T9-L11 PolarHBondContact O-N 2.94Å; T9-L12 PolarHBondContact O-N 2.94Å; T9-L13 VanDerWaalsContact O-CG 3.29Å; T9-L13 WeakPolarHBondContact O-CG 3.41Å; T9-L13 PolarHBondContact O-N 3.39Å |
| 10 | M | 84 | Confident | 77.1 | Confident | 119 Ų | 119 | 99.5 Ų | 99.5 | 59% | 0.586 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65 | -37.4 | 177.2 | -73.4 | -64.3 | 179.4 | 0 | 0 | 112.3 | V6 N7 A8 L13 S14 | V6-M10 WeakPolarHBondContact O-CG 3.17Å; V6-M10 PolarHBondContact O-N 3.47Å; N7-M10 PolarHBondContact O-N 2.74Å; A8-M10 PolarHBondContact O-N 3.25Å; M10-L13 PolarHBondContact O-N 3.04Å; M10-S14 PolarHBondContact O-N 3.2Å; M10-S14 PolarHBondContact O-OG 3.47Å |
| 11 | L | 86.2 | Confident | 77.3 | Confident | 118 Ų | 118 | 99.2 Ų | 99.2 | 62% | 0.618 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.9 | -36.2 | 176 | -69.3 | 171.2 | 0 | 0 | 0 | 112.7 | N7 A8 T9 S14 A15 | N7-L11 VanDerWaalsContact O-CG 3.29Å; N7-L11 WeakPolarHBondContact O-CG 3.03Å; N7-L11 PolarHBondContact O-N 3.37Å; N7-L11 VanDerWaalsContact O-N 3.07Å; A8-L11 PolarHBondContact O-N 2.86Å; T9-L11 VanDerWaalsContact C-N 3.33Å; T9-L11 PolarHBondContact O-N 2.94Å; L11-S14 PolarHBondContact O-OG 2.85Å; L11-A15 VanDerWaalsContact O-CB 3.31Å; L11-A15 WeakPolarHBondContact O-CB 3.02Å; L11-A15 PolarHBondContact O-N 2.61Å |
| 12 | L | 88.4 | Confident | 78.3 | Confident | 125 Ų | 125 | 95.2 Ų | 95.2 | 65% | 0.654 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.9 | -38.3 | 174.9 | -70.2 | 170 | 0 | 0 | 0 | 111.8 | A8 T9 S16 | A8-L12 WeakPolarHBondContact O-CG 3.45Å; A8-L12 PolarHBondContact O-N 2.97Å; T9-L12 PolarHBondContact O-N 2.94Å; L12-S16 WeakPolarHBondContact O-CB 3.48Å; L12-S16 PolarHBondContact O-N 2.77Å; L12-S16 PolarHBondContact O-OG 2.89Å |
| 13 | L | 87.5 | Confident | 78.7 | Confident | 109 Ų | 109 | 95.1 Ų | 95.1 | 57% | 0.571 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.6 | -40.2 | 175.7 | -70 | 174.7 | 0 | 0 | 0 | 111.8 | T9 M10 S16 C17 | T9-L13 VanDerWaalsContact O-CG 3.29Å; T9-L13 WeakPolarHBondContact O-CG 3.41Å; T9-L13 PolarHBondContact O-N 3.39Å; M10-L13 PolarHBondContact O-N 3.04Å; L13-S16 WeakPolarHBondContact CA-OG 2.97Å; L13-S16 PolarHBondContact O-OG 3.36Å; L13-C17 WeakPolarHBondContact O-CB 3.29Å; L13-C17 PolarHBondContact O-N 3.14Å |
| 14 | S | 86.8 | Confident | 79.2 | Confident | 57 Ų | 57 | 93 Ų | 93 | 40% | 0.399 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.3 | -42.1 | 176.4 | 67 | 0 | 0 | 0 | 0 | 112.1 | M10 L11 C17 W18 | M10-S14 PolarHBondContact O-N 3.2Å; M10-S14 PolarHBondContact O-OG 3.47Å; L11-S14 PolarHBondContact O-OG 2.85Å; S14-C17 PolarHBondContact O-N 3.43Å; S14-W18 WeakPolarHBondContact O-CB 3.32Å; S14-W18 VanDerWaalsContact O-CD1 3.24Å; S14-W18 PolarHBondContact O-N 3.38Å |
| 15 | A | 88.4 | Confident | 78.9 | Confident | 58 Ų | 58 | 92.4 Ų | 92.4 | 48% | 0.479 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | L11 W18 L19 | L11-A15 VanDerWaalsContact O-CB 3.31Å; L11-A15 WeakPolarHBondContact O-CB 3.02Å; L11-A15 PolarHBondContact O-N 2.61Å; A15-W18 PolarHBondContact O-N 2.9Å; A15-L19 WeakPolarHBondContact O-CB 3.06Å; A15-L19 PolarHBondContact O-N 3.09Å |
| 16 | S | 86.9 | Confident | 78.4 | Confident | 53 Ų | 53 | 90 Ų | 90 | 37% | 0.371 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.9 | -40 | 175.2 | 55 | 0 | 0 | 0 | 0 | 112.2 | L12 L13 L19 L20 | L12-S16 WeakPolarHBondContact O-CB 3.48Å; L12-S16 PolarHBondContact O-N 2.77Å; L12-S16 PolarHBondContact O-OG 2.89Å; L13-S16 WeakPolarHBondContact CA-OG 2.97Å; L13-S16 PolarHBondContact O-OG 3.36Å; S16-L19 PolarHBondContact O-N 3.28Å; S16-L20 WeakPolarHBondContact O-CB 3.18Å; S16-L20 VanDerWaalsContact O-CG 3.28Å; S16-L20 WeakPolarHBondContact O-CG 3.28Å; S16-L20 PolarHBondContact O-N 3.41Å |
| 17 | C | 83.9 | Confident | 77.5 | Confident | 70 Ų | 70 | 92.8 Ų | 92.8 | 47% | 0.473 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 175 | -168.2 | 0 | 0 | 0 | 0 | 111.8 | L13 S14 L19 L20 V21 | L13-C17 WeakPolarHBondContact O-CB 3.29Å; L13-C17 PolarHBondContact O-N 3.14Å; S14-C17 PolarHBondContact O-N 3.43Å; C17-L19 VanDerWaalsContact C-N 3.34Å; C17-L19 PolarHBondContact O-N 3.16Å; C17-L20 PolarHBondContact O-N 3.07Å; C17-V21 WeakPolarHBondContact O-CG2 3.49Å; C17-V21 PolarHBondContact O-N 3.42Å |
| 18 | W | 84.9 | Confident | 76.2 | Confident | 210 Ų | 210 | 96.7 Ų | 96.7 | 80% | 0.795 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.3 | -41.8 | 172.6 | -88.6 | 52 | 0 | 0 | 0 | 112.3 | S14 A15 V21 A22 | S14-W18 WeakPolarHBondContact O-CB 3.32Å; S14-W18 VanDerWaalsContact O-CD1 3.24Å; S14-W18 PolarHBondContact O-N 3.38Å; A15-W18 PolarHBondContact O-N 2.9Å; W18-V21 PolarHBondContact O-N 2.91Å; W18-A22 WeakPolarHBondContact O-CB 3.33Å; W18-A22 PolarHBondContact O-N 3.39Å |
| 19 | L | 83.6 | Confident | 74.4 | Confident | 111 Ų | 111 | 105 Ų | 105 | 58% | 0.581 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.3 | -39.5 | 177.1 | -167.1 | 71.5 | 0 | 0 | 0 | 111.6 | A15 S16 C17 A22 L23 | A15-L19 WeakPolarHBondContact O-CB 3.06Å; A15-L19 PolarHBondContact O-N 3.09Å; S16-L19 PolarHBondContact O-N 3.28Å; C17-L19 VanDerWaalsContact C-N 3.34Å; C17-L19 PolarHBondContact O-N 3.16Å; L19-A22 PolarHBondContact O-N 2.79Å; L19-L23 HydrophobicContact CD2-CD1 4.36Å; L19-L23 HydrophobicContact CG-CD1 3.89Å; L19-L23 VanDerWaalsContact O-CB 3.26Å; L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 2.85Å |
| 20 | L | 80.1 | Confident | 72.7 | Confident | 121 Ų | 121 | 108.1 Ų | 108.1 | 63% | 0.634 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.4 | -40.4 | 175.3 | -73.2 | 168.8 | 0 | 0 | 0 | 112.2 | S16 C17 G24 | S16-L20 WeakPolarHBondContact O-CB 3.18Å; S16-L20 VanDerWaalsContact O-CG 3.28Å; S16-L20 WeakPolarHBondContact O-CG 3.28Å; S16-L20 PolarHBondContact O-N 3.41Å; C17-L20 PolarHBondContact O-N 3.07Å; L20-G24 PolarHBondContact O-N 3.33Å |
| 21 | V | 80.1 | Confident | 70.6 | Confident | 94 Ų | 94 | 110.3 Ų | 110.3 | 57% | 0.57 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.4 | -41.2 | 175.5 | 172.4 | 0 | 0 | 0 | 0 | 111 | C17 W18 S25 | C17-V21 WeakPolarHBondContact O-CG2 3.49Å; C17-V21 PolarHBondContact O-N 3.42Å; W18-V21 PolarHBondContact O-N 2.91Å; V21-S25 WeakPolarHBondContact O-CB 3.46Å; V21-S25 PolarHBondContact O-N 3.49Å; V21-S25 PolarHBondContact O-OG 3.1Å |
| 22 | A | 76.6 | Confident | 68.6 | Low | 51 Ų | 51 | 113.1 Ų | 113.1 | 42% | 0.421 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.9 | -43.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | W18 L19 S25 C26 | W18-A22 WeakPolarHBondContact O-CB 3.33Å; W18-A22 PolarHBondContact O-N 3.39Å; L19-A22 PolarHBondContact O-N 2.79Å; A22-S25 PolarHBondContact O-N 3.25Å; A22-C26 WeakPolarHBondContact O-CB 3.4Å; A22-C26 PolarHBondContact O-N 3.41Å; A22-C26 PolarHBondContact O-SG 2.94Å; A22-C26 VanDerWaalsContact O-SG 3.33Å |
| 23 | L | 70.1 | Confident | 66.6 | Low | 102 Ų | 102 | 117.3 Ų | 117.3 | 53% | 0.534 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.8 | -43.1 | 175 | -80.5 | 161.4 | 0 | 0 | 0 | 111.5 | L19 S25 C26 D27 | L19-L23 HydrophobicContact CD2-CD1 4.36Å; L19-L23 HydrophobicContact CG-CD1 3.89Å; L19-L23 VanDerWaalsContact O-CB 3.26Å; L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 2.85Å; L23-S25 VanDerWaalsContact C-N 3.28Å; L23-S25 PolarHBondContact O-N 3.4Å; L23-C26 CarbonylContact O-C 3.42Å; L23-C26 WeakPolarHBondContact O-CA 3.41Å; L23-C26 PolarHBondContact O-N 3.39Å; L23-D27 WeakPolarHBondContact O-CB 3.38Å; L23-D27 PolarHBondContact O-N 3.3Å |
| 24 | G | 67.1 | Low | 64.5 | Low | 47 Ų | 47 | 115 Ų | 115 | 49% | 0.485 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65 | -30.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L20 | L20-G24 PolarHBondContact O-N 3.33Å |
| 25 | S | 57.8 | Low | 62.8 | Low | 83 Ų | 83 | 115.5 Ų | 115.5 | 58% | 0.58 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -76 | -25.5 | 172.4 | -55.9 | 0 | 0 | 0 | 0 | 112.5 | V21 A22 L23 | V21-S25 WeakPolarHBondContact O-CB 3.46Å; V21-S25 PolarHBondContact O-N 3.49Å; V21-S25 PolarHBondContact O-OG 3.1Å; A22-S25 PolarHBondContact O-N 3.25Å; L23-S25 VanDerWaalsContact C-N 3.28Å; L23-S25 PolarHBondContact O-N 3.4Å |
| 26 | C | 51.1 | Low | 61 | Low | 66 Ų | 66 | 119 Ų | 119 | 45% | 0.446 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -86 | -21.8 | 172.8 | -74.6 | 0 | 0 | 0 | 0 | 112.8 | A22 L23 E28 R29 L30 | A22-C26 WeakPolarHBondContact O-CB 3.4Å; A22-C26 PolarHBondContact O-N 3.41Å; A22-C26 PolarHBondContact O-SG 2.94Å; A22-C26 VanDerWaalsContact O-SG 3.33Å; L23-C26 CarbonylContact O-C 3.42Å; L23-C26 WeakPolarHBondContact O-CA 3.41Å; L23-C26 PolarHBondContact O-N 3.39Å; C26-E28 VanDerWaalsContact C-N 3.27Å; C26-R29 CarbonylContact O-C 3.25Å; C26-R29 VanDerWaalsContact O-C 3.25Å; C26-R29 VanDerWaalsContact O-CA 3.27Å; C26-R29 WeakPolarHBondContact O-CA 3.39Å; C26-R29 WeakPolarHBondContact O-CB 3.13Å; C26-R29 PolarHBondContact O-N 2.87Å; C26-L30 WeakPolarHBondContact O-CB 3.5Å; C26-L30 PolarHBondContact O-N 3.01Å |
| 27 | D | 49.7 | Very low | 59.3 | Low | 127 Ų | 127 | 123.1 Ų | 123.1 | 68% | 0.679 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.9 | -35 | 175.4 | -156.3 | -108 | 0 | 0 | 0 | 110.2 | L23 R29 L30 | L23-D27 WeakPolarHBondContact O-CB 3.38Å; L23-D27 PolarHBondContact O-N 3.3Å; D27-R29 PolarHBondContact O-N 2.83Å; D27-R29 VanDerWaalsContact O-N 3.09Å; D27-L30 PolarHBondContact O-N 3.25Å |
| 28 | E | 46.9 | Very low | 57.9 | Low | 188 Ų | 188 | 124.4 Ų | 124.4 | 88% | 0.879 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -4 | 168.3 | -150.7 | 177.8 | 98 | 0 | 0 | 113.3 | C26 | C26-E28 VanDerWaalsContact C-N 3.27Š|
| 29 | R | 43.3 | Very low | 56.6 | Low | 225 Ų | 225 | 118 Ų | 118 | 85% | 0.849 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.7 | -1.9 | -177.8 | -131.1 | -176.8 | 172.2 | -122.8 | -5 | 114.3 | C26 D27 | C26-R29 CarbonylContact O-C 3.25Å; C26-R29 VanDerWaalsContact O-C 3.25Å; C26-R29 VanDerWaalsContact O-CA 3.27Å; C26-R29 WeakPolarHBondContact O-CA 3.39Å; C26-R29 WeakPolarHBondContact O-CB 3.13Å; C26-R29 PolarHBondContact O-N 2.87Å; D27-R29 PolarHBondContact O-N 2.83Å; D27-R29 VanDerWaalsContact O-N 3.09Å |
| 30 | L | 44.2 | Very low | 55.5 | Low | 136 Ų | 136 | 117.4 Ų | 117.4 | 71% | 0.712 | 61% | 0.605 | S | S | * | * | trans | -115 | 26.3 | 177 | -100.5 | 174.7 | 0 | 0 | 0 | 111.6 | C26 D27 E32 | C26-L30 WeakPolarHBondContact O-CB 3.5Å; C26-L30 PolarHBondContact O-N 3.01Å; D27-L30 PolarHBondContact O-N 3.25Å; L30-E32 PolarHBondContact O-N 2.92Å | ||
| 31 | E | 39.3 | Very low | 54.8 | Low | 166 Ų | 166 | 116 Ų | 116 | 78% | 0.776 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -65.5 | 94.3 | 139.8 | -100.6 | -161.1 | 98.3 | 0 | 0 | 106.8 | R33 | E31-R33 PolarHBondContact O-N 3.42Š|
| 32 | E | 44.1 | Very low | 54.3 | Low | 176 Ų | 176 | 115.4 Ų | 115.4 | 82% | 0.822 | 59% | 0.59 | S | S | * | * | trans | -36.5 | 101.7 | 159.5 | -170 | 173.6 | 124.3 | 0 | 0 | 109.7 | L30 S34 | L30-E32 PolarHBondContact O-N 2.92Å; E32-S34 PolarHBondContact O-N 2.91Å | ||
| 33 | R | 46.4 | Very low | 54.2 | Low | 214 Ų | 214 | 118.5 Ų | 118.5 | 81% | 0.808 | 60% | 0.596 | S | S | * | * | trans | -31.7 | 96.8 | 160.9 | -174.3 | -173.7 | -171.6 | 117.1 | 1 | 111.4 | E31 | E31-R33 PolarHBondContact O-N 3.42Š| ||
| 34 | S | 42.4 | Very low | 54.6 | Low | 60 Ų | 60 | 119.2 Ų | 119.2 | 42% | 0.42 | 60% | 0.596 | S | S | . | * | trans | -95.6 | 103.1 | 144.9 | -175.3 | 0 | 0 | 0 | 0 | 106.8 | E32 E36 Y37 | E32-S34 PolarHBondContact O-N 2.91Å; S34-E36 PolarHBondContact O-N 3.19Å; S34-E36 VanDerWaalsContact O-N 3.13Å; S34-Y37 PolarHBondContact O-N 3.41Å | ||
| 35 | P | 51 | Low | 55.2 | Low | 68 Ų | 68 | 121.6 Ų | 121.6 | 44% | 0.442 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.8 | -19.2 | 179 | 27.2 | -31.3 | 0 | 0 | 0 | 111.8 | V39 | P35-V39 WeakPolarHBondContact O-CB 3.46Å; P35-V39 WeakPolarHBondContact O-CG2 3.26Å; P35-V39 PolarHBondContact O-N 2.94Å |
| 36 | E | 50.7 | Low | 56.5 | Low | 130 Ų | 130 | 124.4 Ų | 124.4 | 61% | 0.607 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.5 | -35.2 | 171.5 | -84.6 | 116.4 | 124.9 | 0 | 0 | 113.6 | S34 I40 | S34-E36 PolarHBondContact O-N 3.19Å; S34-E36 VanDerWaalsContact O-N 3.13Å; E36-I40 WeakPolarHBondContact O-CB 3.34Å; E36-I40 VanDerWaalsContact O-CD1 3.23Å; E36-I40 WeakPolarHBondContact O-CD1 3.05Å; E36-I40 WeakPolarHBondContact O-CG1 3.48Å; E36-I40 PolarHBondContact O-N 3.2Å |
| 37 | Y | 51.9 | Low | 58.2 | Low | 140 Ų | 140 | 127.9 Ų | 127.9 | 55% | 0.549 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -73.4 | -41.9 | -178.3 | 178.6 | -107.7 | 0 | 0 | 0 | 112.5 | S34 V39 I40 K41 | S34-Y37 PolarHBondContact O-N 3.41Å; Y37-V39 VanDerWaalsContact C-N 3.33Å; Y37-V39 PolarHBondContact O-N 2.95Å; Y37-I40 PolarHBondContact O-N 3.37Å; Y37-K41 VanDerWaalsContact O-CB 3.26Å; Y37-K41 WeakPolarHBondContact O-CB 3.45Å; Y37-K41 PolarHBondContact O-N 3.32Å |
| 38 | D | 54.2 | Low | 60.1 | Low | 97 Ų | 97 | 126.4 Ų | 126.4 | 52% | 0.519 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.6 | -36.6 | 174.5 | -80.3 | -45.4 | 0 | 0 | 0 | 111.9 | T42 | D38-T42 WeakPolarHBondContact O-CB 3.48Å; D38-T42 PolarHBondContact O-N 3.45Å; D38-T42 PolarHBondContact O-OG1 3.36Å |
| 39 | V | 58.7 | Low | 62.3 | Low | 75 Ų | 75 | 122 Ų | 122 | 46% | 0.455 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.8 | -44.9 | 175.7 | 171.2 | 0 | 0 | 0 | 0 | 111 | P35 Y37 T42 E43 | P35-V39 WeakPolarHBondContact O-CB 3.46Å; P35-V39 WeakPolarHBondContact O-CG2 3.26Å; P35-V39 PolarHBondContact O-N 2.94Å; Y37-V39 VanDerWaalsContact C-N 3.33Å; Y37-V39 PolarHBondContact O-N 2.95Å; V39-T42 WeakPolarHBondContact CA-OG1 3.12Å; V39-T42 PolarHBondContact O-N 3.37Å; V39-T42 PolarHBondContact O-OG1 3.44Å; V39-T42 VanDerWaalsContact O-OG1 3.05Å; V39-E43 WeakPolarHBondContact O-CB 3.38Å; V39-E43 WeakPolarHBondContact O-CG 3.25Å; V39-E43 PolarHBondContact O-N 2.91Å |
| 40 | I | 60.3 | Low | 64.6 | Low | 100 Ų | 100 | 117.1 Ų | 117.1 | 51% | 0.513 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.1 | -41.9 | 177.7 | -67.2 | 162 | 0 | 0 | 0 | 111 | E36 Y37 E43 E44 | E36-I40 WeakPolarHBondContact O-CB 3.34Å; E36-I40 VanDerWaalsContact O-CD1 3.23Å; E36-I40 WeakPolarHBondContact O-CD1 3.05Å; E36-I40 WeakPolarHBondContact O-CG1 3.48Å; E36-I40 PolarHBondContact O-N 3.2Å; Y37-I40 PolarHBondContact O-N 3.37Å; I40-E43 PolarHBondContact O-N 2.94Å; I40-E44 WeakPolarHBondContact O-CB 3.36Å; I40-E44 PolarHBondContact O-N 3.38Å |
| 41 | K | 64.5 | Low | 66.8 | Low | 92 Ų | 92 | 113 Ų | 113 | 40% | 0.4 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.5 | -40.4 | 176.3 | -176.6 | -179.9 | 174.1 | -175.2 | 0 | 111.9 | Y37 E44 E45 | Y37-K41 VanDerWaalsContact O-CB 3.26Å; Y37-K41 WeakPolarHBondContact O-CB 3.45Å; Y37-K41 PolarHBondContact O-N 3.32Å; K41-E44 PolarHBondContact O-N 2.89Å; K41-E45 VanDerWaalsContact CE-OE1 3.29Å; K41-E45 WeakPolarHBondContact CE-OE1 3.45Å; K41-E45 WeakPolarHBondContact O-CB 3.45Å; K41-E45 VanDerWaalsContact O-CG 3.26Å; K41-E45 WeakPolarHBondContact O-CG 3.46Å; K41-E45 PolarHBondContact O-N 3.32Å |
| 42 | T | 70.8 | Confident | 69.3 | Low | 80 Ų | 80 | 110.3 Ų | 110.3 | 49% | 0.491 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -71.4 | -30.5 | 175.8 | 39.9 | 0 | 0 | 0 | 0 | 112.9 | D38 V39 K46 | D38-T42 WeakPolarHBondContact O-CB 3.48Å; D38-T42 PolarHBondContact O-N 3.45Å; D38-T42 PolarHBondContact O-OG1 3.36Å; V39-T42 WeakPolarHBondContact CA-OG1 3.12Å; V39-T42 PolarHBondContact O-N 3.37Å; V39-T42 PolarHBondContact O-OG1 3.44Å; V39-T42 VanDerWaalsContact O-OG1 3.05Å; T42-K46 WeakPolarHBondContact O-CB 3.41Å; T42-K46 PolarHBondContact O-N 2.9Å |
| 43 | E | 74.6 | Confident | 71.5 | Confident | 116 Ų | 116 | 107.6 Ų | 107.6 | 54% | 0.542 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.7 | -47.9 | 170.8 | -77.3 | -178.7 | 165 | 0 | 0 | 111.3 | V39 I40 K46 E47 | V39-E43 WeakPolarHBondContact O-CB 3.38Å; V39-E43 WeakPolarHBondContact O-CG 3.25Å; V39-E43 PolarHBondContact O-N 2.91Å; I40-E43 PolarHBondContact O-N 2.94Å; E43-K46 WeakPolarHBondContact O-CB 3.43Å; E43-K46 PolarHBondContact O-N 3.5Å; E43-E47 WeakPolarHBondContact O-CG 3.33Å; E43-E47 PolarHBondContact O-N 3.34Å |
| 44 | E | 77.8 | Confident | 73.5 | Confident | 117 Ų | 117 | 102.3 Ų | 102.3 | 55% | 0.547 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.6 | -49.5 | 175.9 | -175 | -179 | 170.9 | 0 | 0 | 111.2 | I40 K41 K46 E47 L48 | I40-E44 WeakPolarHBondContact O-CB 3.36Å; I40-E44 PolarHBondContact O-N 3.38Å; K41-E44 PolarHBondContact O-N 2.89Å; E44-K46 PolarHBondContact O-N 3.31Å; E44-E47 PolarHBondContact O-N 3.05Å; E44-E47 VanDerWaalsContact O-N 3.16Å; E44-L48 HydrophobicContact CG-CD1 3.65Å; E44-L48 WeakPolarHBondContact O-CD1 3.35Å; E44-L48 PolarHBondContact O-N 2.83Å |
| 45 | E | 78.8 | Confident | 75.7 | Confident | 98 Ų | 98 | 103.3 Ų | 103.3 | 46% | 0.458 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.2 | -38.2 | 176.8 | -75.3 | 177.9 | -179 | 0 | 0 | 112.2 | K41 L48 I49 | K41-E45 VanDerWaalsContact CE-OE1 3.29Å; K41-E45 WeakPolarHBondContact CE-OE1 3.45Å; K41-E45 WeakPolarHBondContact O-CB 3.45Å; K41-E45 VanDerWaalsContact O-CG 3.26Å; K41-E45 WeakPolarHBondContact O-CG 3.46Å; K41-E45 PolarHBondContact O-N 3.32Å; E45-L48 PolarHBondContact O-N 2.92Å; E45-I49 WeakPolarHBondContact O-CD1 3.25Å; E45-I49 WeakPolarHBondContact O-CG1 3.46Å; E45-I49 PolarHBondContact O-N 3.26Å |
| 46 | K | 85.5 | Confident | 77.3 | Confident | 142 Ų | 142 | 105.4 Ų | 105.4 | 62% | 0.617 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.8 | -42.5 | 177.2 | -174.9 | -175.7 | 172.3 | -164.5 | 0 | 111.8 | T42 E43 E44 L48 I49 E50 | T42-K46 WeakPolarHBondContact O-CB 3.41Å; T42-K46 PolarHBondContact O-N 2.9Å; E43-K46 WeakPolarHBondContact O-CB 3.43Å; E43-K46 PolarHBondContact O-N 3.5Å; E44-K46 PolarHBondContact O-N 3.31Å; K46-L48 VanDerWaalsContact C-N 3.34Å; K46-I49 PolarHBondContact O-N 3.2Å; K46-E50 WeakPolarHBondContact O-CB 3.34Å; K46-E50 PolarHBondContact O-N 2.87Å |
| 47 | E | 87.2 | Confident | 78.9 | Confident | 139 Ų | 139 | 105.2 Ų | 105.2 | 65% | 0.65 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.4 | -41.9 | 174.9 | -72.8 | -175 | 173.7 | 0 | 0 | 111.6 | E43 E44 E50 A51 | E43-E47 WeakPolarHBondContact O-CG 3.33Å; E43-E47 PolarHBondContact O-N 3.34Å; E44-E47 PolarHBondContact O-N 3.05Å; E44-E47 VanDerWaalsContact O-N 3.16Å; E47-E50 PolarHBondContact O-N 3.16Å; E47-A51 WeakPolarHBondContact O-CB 3.07Å; E47-A51 PolarHBondContact O-N 3.3Å |
| 48 | L | 90.6 | Very high | 80.2 | Confident | 96 Ų | 96 | 104 Ų | 104 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 175.3 | -86.1 | 98 | 0 | 0 | 0 | 112.1 | E44 E45 K46 E50 A51 L52 | E44-L48 HydrophobicContact CG-CD1 3.65Å; E44-L48 WeakPolarHBondContact O-CD1 3.35Å; E44-L48 PolarHBondContact O-N 2.83Å; E45-L48 PolarHBondContact O-N 2.92Å; K46-L48 VanDerWaalsContact C-N 3.34Å; L48-E50 VanDerWaalsContact C-N 3.32Å; L48-A51 PolarHBondContact O-N 3.46Å; L48-L52 WeakPolarHBondContact O-CB 3.43Å; L48-L52 WeakPolarHBondContact O-CD1 3.4Å; L48-L52 PolarHBondContact O-N 3.13Å |
| 49 | I | 91.3 | Very high | 81.1 | Confident | 94 Ų | 94 | 103 Ų | 103 | 48% | 0.482 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 177.8 | -69.4 | 163.6 | 0 | 0 | 0 | 110.5 | E45 K46 L52 Q53 | E45-I49 WeakPolarHBondContact O-CD1 3.25Å; E45-I49 WeakPolarHBondContact O-CG1 3.46Å; E45-I49 PolarHBondContact O-N 3.26Å; K46-I49 PolarHBondContact O-N 3.2Å; I49-L52 WeakPolarHBondContact O-CB 3.49Å; I49-L52 PolarHBondContact O-N 2.94Å; I49-Q53 WeakPolarHBondContact O-CG 3.5Å; I49-Q53 PolarHBondContact O-N 3.05Å |
| 50 | E | 91.8 | Very high | 81.6 | Confident | 123 Ų | 123 | 106.9 Ų | 106.9 | 58% | 0.575 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.3 | -44.1 | 177.7 | -169.3 | 166.5 | -176.2 | 0 | 0 | 111.5 | K46 E47 L48 L52 Q53 E54 | K46-E50 WeakPolarHBondContact O-CB 3.34Å; K46-E50 PolarHBondContact O-N 2.87Å; E47-E50 PolarHBondContact O-N 3.16Å; L48-E50 VanDerWaalsContact C-N 3.32Å; E50-L52 VanDerWaalsContact C-N 3.33Å; E50-L52 PolarHBondContact O-N 2.92Å; E50-Q53 PolarHBondContact O-N 2.97Å; E50-E54 PolarHBondContact O-N 3Å |
| 51 | A | 90.8 | Very high | 81.8 | Confident | 51 Ų | 51 | 108.6 Ų | 108.6 | 42% | 0.421 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E47 L48 E54 V55 | E47-A51 WeakPolarHBondContact O-CB 3.07Å; E47-A51 PolarHBondContact O-N 3.3Å; L48-A51 PolarHBondContact O-N 3.46Å; A51-E54 PolarHBondContact O-N 3.33Å; A51-V55 WeakPolarHBondContact O-CG2 3.38Å; A51-V55 PolarHBondContact O-N 3.04Å; A51-V55 VanDerWaalsContact O-N 3.07Å |
| 52 | L | 91.6 | Very high | 81.8 | Confident | 109 Ų | 109 | 111.8 Ų | 111.8 | 57% | 0.571 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.6 | -43.4 | 174.4 | -88.7 | 154 | 0 | 0 | 0 | 111.8 | L48 I49 E50 V55 L56 | L48-L52 WeakPolarHBondContact O-CB 3.43Å; L48-L52 WeakPolarHBondContact O-CD1 3.4Å; L48-L52 PolarHBondContact O-N 3.13Å; I49-L52 WeakPolarHBondContact O-CB 3.49Å; I49-L52 PolarHBondContact O-N 2.94Å; E50-L52 VanDerWaalsContact C-N 3.33Å; E50-L52 PolarHBondContact O-N 2.92Å; L52-V55 PolarHBondContact O-N 2.94Å; L52-L56 WeakPolarHBondContact O-CB 3.01Å; L52-L56 WeakPolarHBondContact O-CG 3.34Å; L52-L56 PolarHBondContact O-N 3.42Å |
| 53 | Q | 90 | Very high | 81.2 | Confident | 118 Ų | 118 | 116 Ų | 116 | 55% | 0.551 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.7 | -43.6 | 176.9 | -75 | 178.9 | 10.4 | 0 | 0 | 111.7 | I49 E50 V55 L56 E57 | I49-Q53 WeakPolarHBondContact O-CG 3.5Å; I49-Q53 PolarHBondContact O-N 3.05Å; E50-Q53 PolarHBondContact O-N 2.97Å; Q53-V55 VanDerWaalsContact C-N 3.34Å; Q53-V55 PolarHBondContact O-N 2.89Å; Q53-L56 WeakPolarHBondContact O-CB 3.44Å; Q53-L56 PolarHBondContact O-N 2.91Å; Q53-E57 WeakPolarHBondContact O-CG 3.49Å; Q53-E57 PolarHBondContact O-N 3.43Å |
| 54 | E | 88.7 | Confident | 80.4 | Confident | 104 Ų | 104 | 115.7 Ų | 115.7 | 49% | 0.486 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.2 | -43.6 | 176.7 | -168.9 | -168.3 | 164.4 | 0 | 0 | 111.6 | E50 A51 E57 K58 | E50-E54 PolarHBondContact O-N 3Å; A51-E54 PolarHBondContact O-N 3.33Å; E54-E57 PolarHBondContact O-N 3.3Å; E54-K58 WeakPolarHBondContact O-CB 3.47Å; E54-K58 WeakPolarHBondContact O-CG 3.2Å; E54-K58 PolarHBondContact O-N 3.49Å; E54-K58 WeakPolarHBondContact OE1-CE 3.23Å; E54-K58 IonicContact OE1-NZ 2.61Å; E54-K58 PolarHBondContact OE1-NZ 2.74Å |
| 55 | V | 89.8 | Confident | 79.4 | Confident | 81 Ų | 81 | 112 Ų | 112 | 49% | 0.491 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.1 | -43.1 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 111 | A51 L52 Q53 E57 K58 L59 | A51-V55 WeakPolarHBondContact O-CG2 3.38Å; A51-V55 PolarHBondContact O-N 3.04Å; A51-V55 VanDerWaalsContact O-N 3.07Å; L52-V55 PolarHBondContact O-N 2.94Å; Q53-V55 VanDerWaalsContact C-N 3.34Å; Q53-V55 PolarHBondContact O-N 2.89Å; V55-E57 PolarHBondContact O-N 2.62Å; V55-K58 PolarHBondContact O-N 2.85Å; V55-L59 HydrophobicContact CG1-CD1 3.81Å; V55-L59 HydrophobicContact CG1-CG 4.26Å; V55-L59 WeakPolarHBondContact O-CB 3.46Å; V55-L59 VanDerWaalsContact O-CG 3.25Å; V55-L59 WeakPolarHBondContact O-CG 3.42Å; V55-L59 PolarHBondContact O-N 3.33Å |
| 56 | L | 83.9 | Confident | 78.5 | Confident | 112 Ų | 112 | 110.5 Ų | 110.5 | 59% | 0.586 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.5 | -42.1 | 176.5 | -79 | 163.4 | 0 | 0 | 0 | 111.9 | L52 Q53 L59 K60 | L52-L56 WeakPolarHBondContact O-CB 3.01Å; L52-L56 WeakPolarHBondContact O-CG 3.34Å; L52-L56 PolarHBondContact O-N 3.42Å; Q53-L56 WeakPolarHBondContact O-CB 3.44Å; Q53-L56 PolarHBondContact O-N 2.91Å; L56-L59 PolarHBondContact O-N 2.95Å; L56-K60 VanDerWaalsContact O-CB 3.25Å; L56-K60 WeakPolarHBondContact O-CB 3.18Å; L56-K60 PolarHBondContact O-N 2.94Å |
| 57 | E | 84.1 | Confident | 77.1 | Confident | 125 Ų | 125 | 108.4 Ų | 108.4 | 58% | 0.584 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.1 | -43.6 | 175.4 | -71.4 | -148.9 | 143.8 | 0 | 0 | 112.2 | Q53 E54 V55 L59 K60 N61 | Q53-E57 WeakPolarHBondContact O-CG 3.49Å; Q53-E57 PolarHBondContact O-N 3.43Å; E54-E57 PolarHBondContact O-N 3.3Å; V55-E57 PolarHBondContact O-N 2.62Å; E57-L59 VanDerWaalsContact C-N 3.3Å; E57-L59 PolarHBondContact O-N 2.83Å; E57-K60 PolarHBondContact O-N 2.84Å; E57-N61 WeakPolarHBondContact O-CB 3.36Å; E57-N61 PolarHBondContact O-N 3.09Å |
| 58 | K | 79.8 | Confident | 75.5 | Confident | 116 Ų | 116 | 110.5 Ų | 110.5 | 50% | 0.504 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.5 | -36.1 | 175.1 | -75.8 | -174.1 | -176.8 | 168.9 | 0 | 112.3 | E54 V55 K62 | E54-K58 WeakPolarHBondContact O-CB 3.47Å; E54-K58 WeakPolarHBondContact O-CG 3.2Å; E54-K58 PolarHBondContact O-N 3.49Å; E54-K58 WeakPolarHBondContact OE1-CE 3.23Å; E54-K58 IonicContact OE1-NZ 2.61Å; E54-K58 PolarHBondContact OE1-NZ 2.74Å; V55-K58 PolarHBondContact O-N 2.85Å; K58-K62 WeakPolarHBondContact O-CD 3.26Å; K58-K62 VanDerWaalsContact O-CG 3.26Å; K58-K62 WeakPolarHBondContact O-CG 3.07Å; K58-K62 PolarHBondContact O-N 2.87Å |
| 59 | L | 73.1 | Confident | 73.9 | Confident | 75 Ų | 75 | 112.3 Ų | 112.3 | 39% | 0.393 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -74.9 | -37 | 175.7 | -72.1 | 174.7 | 0 | 0 | 0 | 112.6 | V55 L56 E57 K62 Q63 L64 | V55-L59 HydrophobicContact CG1-CD1 3.81Å; V55-L59 HydrophobicContact CG1-CG 4.26Å; V55-L59 WeakPolarHBondContact O-CB 3.46Å; V55-L59 VanDerWaalsContact O-CG 3.25Å; V55-L59 WeakPolarHBondContact O-CG 3.42Å; V55-L59 PolarHBondContact O-N 3.33Å; L56-L59 PolarHBondContact O-N 2.95Å; E57-L59 VanDerWaalsContact C-N 3.3Å; E57-L59 PolarHBondContact O-N 2.83Å; L59-K62 CarbonylContact O-C 3.48Å; L59-K62 WeakPolarHBondContact O-CA 3.35Å; L59-K62 PolarHBondContact O-N 2.8Å; L59-K62 VanDerWaalsContact O-N 3.14Å; L59-Q63 PolarHBondContact O-N 3.07Å; L59-L64 HydrophobicContact CB-CD1 4.48Å; L59-L64 HydrophobicContact CD2-CD1 4.14Å |
| 60 | K | 69.7 | Low | 72.3 | Confident | 156 Ų | 156 | 114.7 Ų | 114.7 | 68% | 0.678 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62 | -43.3 | 173.7 | 176.7 | -177.5 | 164.3 | -170.2 | 0 | 111.3 | L56 E57 K62 Q63 | L56-K60 VanDerWaalsContact O-CB 3.25Å; L56-K60 WeakPolarHBondContact O-CB 3.18Å; L56-K60 PolarHBondContact O-N 2.94Å; E57-K60 PolarHBondContact O-N 2.84Å; K60-K62 PolarHBondContact O-N 2.95Å; K60-Q63 WeakPolarHBondContact O-CA 3.37Å; K60-Q63 PolarHBondContact O-N 3.39Å |
| 61 | N | 62.9 | Low | 70.7 | Confident | 137 Ų | 137 | 117.4 Ų | 117.4 | 73% | 0.733 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.8 | -21.1 | 175.3 | -71.8 | -19.2 | 0 | 0 | 0 | 112.8 | E57 Q63 | E57-N61 WeakPolarHBondContact O-CB 3.36Å; E57-N61 PolarHBondContact O-N 3.09Å; N61-Q63 VanDerWaalsContact C-N 3.29Å |
| 62 | K | 65.1 | Low | 69.7 | Low | 158 Ų | 158 | 118.1 Ų | 118.1 | 69% | 0.687 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 11.7 | 170.4 | -70.9 | 172.9 | -175.6 | -74.5 | 0 | 113.3 | K58 L59 K60 L64 | K58-K62 WeakPolarHBondContact O-CD 3.26Å; K58-K62 VanDerWaalsContact O-CG 3.26Å; K58-K62 WeakPolarHBondContact O-CG 3.07Å; K58-K62 PolarHBondContact O-N 2.87Å; L59-K62 CarbonylContact O-C 3.48Å; L59-K62 WeakPolarHBondContact O-CA 3.35Å; L59-K62 PolarHBondContact O-N 2.8Å; L59-K62 VanDerWaalsContact O-N 3.14Å; K60-K62 PolarHBondContact O-N 2.95Å; K62-L64 PolarHBondContact O-N 3.38Å; K62-L64 VanDerWaalsContact O-N 3.1Å |
| 63 | Q | 59.5 | Low | 68.9 | Low | 169 Ų | 169 | 120.4 Ų | 120.4 | 79% | 0.79 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 21.7 | 73 | 176.9 | -164.5 | 166.6 | 21.4 | 0 | 0 | 113.5 | L59 K60 N61 P65 | L59-Q63 PolarHBondContact O-N 3.07Å; K60-Q63 WeakPolarHBondContact O-CA 3.37Å; K60-Q63 PolarHBondContact O-N 3.39Å; N61-Q63 VanDerWaalsContact C-N 3.29Å; Q63-P65 WeakPolarHBondContact O-CD 3.39Å |
| 64 | L | 57.6 | Low | 68.7 | Low | 109 Ų | 109 | 117.4 Ų | 117.4 | 57% | 0.571 | 60% | 0.595 | S | S | * | * | trans | -59.4 | 122.9 | 168.7 | -72.4 | 161.3 | 0 | 0 | 0 | 107.7 | L59 K62 S66 | L59-L64 HydrophobicContact CB-CD1 4.48Å; L59-L64 HydrophobicContact CD2-CD1 4.14Å; K62-L64 PolarHBondContact O-N 3.38Å; K62-L64 VanDerWaalsContact O-N 3.1Å; L64-S66 PolarHBondContact O-N 2.91Å | ||
| 65 | P | 56.2 | Low | 68.7 | Low | 41 Ų | 41 | 115.6 Ų | 115.6 | 27% | 0.266 | 59% | 0.592 | S | S | . | * | trans | -57.6 | 138.2 | 175.7 | 22.9 | -31.1 | 0 | 0 | 0 | 108.6 | Q63 S67 K69 W73 | Q63-P65 WeakPolarHBondContact O-CD 3.39Å; P65-S67 PolarHBondContact O-N 2.73Å; P65-K69 HydrophobicContact CB-CB 4.45Å; P65-W73 HydrophobicContact CG-CG 4.17Å | ||
| 66 | S | 59.5 | Low | 68.7 | Low | 66 Ų | 66 | 116.8 Ų | 116.8 | 46% | 0.462 | 60% | 0.601 | S | S | . | * | trans | -44.4 | 134.8 | 176.6 | 59.3 | 0 | 0 | 0 | 0 | 109.4 | L64 E68 K69 | L64-S66 PolarHBondContact O-N 2.91Å; S66-E68 PolarHBondContact O-N 2.87Å; S66-K69 PolarHBondContact O-N 3.3Å | ||
| 67 | S | 55.7 | Low | 69 | Low | 98 Ų | 98 | 112.3 Ų | 112.3 | 69% | 0.685 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -49.3 | -28.1 | -168.6 | 42.4 | 0 | 0 | 0 | 0 | 114.2 | P65 K69 K70 | P65-S67 PolarHBondContact O-N 2.73Å; S67-K69 VanDerWaalsContact C-N 3.28Å; S67-K69 PolarHBondContact O-N 3.42Å; S67-K70 PolarHBondContact O-N 3.26Å |
| 68 | E | 54.8 | Low | 69.1 | Low | 182 Ų | 182 | 110.6 Ų | 110.6 | 85% | 0.85 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -65.4 | -20 | 175.5 | -65.5 | -176.4 | 118.8 | 0 | 0 | 115.1 | S66 | S66-E68 PolarHBondContact O-N 2.87Š|
| 69 | K | 56.3 | Low | 69.1 | Low | 134 Ų | 134 | 110 Ų | 110 | 58% | 0.583 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -97.3 | 3.9 | -178.7 | -61.7 | -174.4 | -178.6 | 178.3 | 0 | 114.1 | P65 S66 S67 L71 | P65-K69 HydrophobicContact CB-CB 4.45Å; S66-K69 PolarHBondContact O-N 3.3Å; S67-K69 VanDerWaalsContact C-N 3.28Å; S67-K69 PolarHBondContact O-N 3.42Å; K69-L71 VanDerWaalsContact C-N 3.32Å; K69-L71 PolarHBondContact O-N 3.48Å |
| 70 | K | 57.8 | Low | 69.3 | Low | 145 Ų | 145 | 109.9 Ų | 109.9 | 63% | 0.63 | 61% | 0.611 | S | S | * | * | trans | -67 | -27.8 | -173.3 | -83.1 | -173.8 | 174 | -175.2 | 0 | 114 | S67 G72 | S67-K70 PolarHBondContact O-N 3.26Å; K70-G72 PolarHBondContact O-N 2.92Å | ||
| 71 | L | 57.8 | Low | 70.1 | Confident | 179 Ų | 179 | 107.6 Ų | 107.6 | 94% | 0.937 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | 100.1 | 176.2 | -138.4 | 79.5 | 0 | 0 | 0 | 109.6 | K69 | K69-L71 VanDerWaalsContact C-N 3.32Å; K69-L71 PolarHBondContact O-N 3.48Å |
| 72 | G | 69.8 | Low | 71.5 | Confident | 67 Ų | 67 | 106 Ų | 106 | 69% | 0.691 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96.2 | 21.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K70 L74 | K70-G72 PolarHBondContact O-N 2.92Å; G72-L74 PolarHBondContact O-N 2.96Å |
| 73 | W | 76 | Confident | 72.9 | Confident | 156 Ų | 156 | 98.5 Ų | 98.5 | 59% | 0.591 | 56% | 0.558 | S | S | * | * | trans | -63.8 | 128.4 | 167 | -176.1 | 83.8 | 0 | 0 | 0 | 110.1 | P65 | P65-W73 HydrophobicContact CG-CG 4.17Š| ||
| 74 | L | 85.4 | Confident | 74.6 | Confident | 56 Ų | 56 | 90.5 Ų | 90.5 | 29% | 0.293 | 52% | 0.521 | S | S | . | . | trans | -127.1 | 149.4 | 176.8 | -68.6 | 173 | 0 | 0 | 0 | 108.7 | G72 K93 | G72-L74 PolarHBondContact O-N 2.96Å; L74-K93 HydrophobicContact CD1-CB 3.37Å; L74-K93 HydrophobicContact CD1-CD 4.33Å | ||
| 75 | P | 88.4 | Confident | 76.3 | Confident | 65 Ų | 65 | 88.2 Ų | 88.2 | 42% | 0.422 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 152.2 | 173.5 | 27.4 | -35.5 | 0 | 0 | 0 | 110.5 | C95 G96 | P75-C95 CarbonylContact O-C 3.41Å; P75-C95 WeakPolarHBondContact O-CA 3.29Å; P75-C95 WeakPolarHBondContact O-CB 3.34Å; P75-G96 PolarHBondContact O-N 3.38Å |
| 76 | P | 88.6 | Confident | 78.1 | Confident | 107 Ų | 107 | 94 Ų | 94 | 70% | 0.695 | 53% | 0.527 | S | S | * | . | B | Isolated β-bridge | trans | -64.8 | 145.8 | 176.4 | 28.3 | -34.3 | 0 | 0 | 0 | 111.2 | G96 | P76-G96 CarbonylContact C-O 3.54Å; P76-G96 VanDerWaalsContact CA-O 3.32Å; P76-G96 WeakPolarHBondContact CA-O 3.26Å |
| 77 | C | 91.3 | Very high | 79.8 | Confident | 17 Ų | 17 | 99.8 Ų | 99.8 | 12% | 0.115 | 55% | 0.545 | C | S | . | . | P | Polyproline II helix | trans | -72 | 142.1 | 175.2 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | C95 G96 C110 | C77-C95 WeakPolarHBondContact CA-SG 3.28Å; C77-C95 HydrophobicContact CB-CB 3.92Å; C77-C95 WeakPolarHBondContact CB-SG 3.37Å; C77-C95 WeakPolarHBondContact SG-CB 3.34Å; C77-C95 CovalentContact SG-SG 2.03Å; C77-C95 PolarHBondContact SG-SG 2.99Å; C77-G96 PolarHBondContact N-O 2.82Å; C77-C110 VanDerWaalsContact SG-SG 3.65Å |
| 78 | V | 84.8 | Confident | 81.5 | Confident | 89 Ų | 89 | 98.1 Ų | 98.1 | 54% | 0.539 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 146.4 | 165.6 | -173.1 | 0 | 0 | 0 | 0 | 108.6 | G80 E81 | V78-G80 PolarHBondContact O-N 2.98Å; V78-E81 HydrophobicContact CB-CB 4.5Å; V78-E81 HydrophobicContact CB-CG 3.89Å; V78-E81 PolarHBondContact O-N 3.46Å; V78-E81 VanDerWaalsContact O-N 3.12Å |
| 79 | A | 80.8 | Confident | 83.3 | Confident | 105 Ų | 105 | 94.1 Ų | 94.1 | 87% | 0.868 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 122.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 80 | G | 77 | Confident | 85 | Confident | 72 Ų | 72 | 97.8 Ų | 97.8 | 74% | 0.742 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.7 | -2.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116 | V78 | V78-G80 PolarHBondContact O-N 2.98Š|
| 81 | E | 85.8 | Confident | 86.8 | Confident | 108 Ų | 108 | 94.2 Ų | 94.2 | 51% | 0.505 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -82.4 | 161.3 | 176 | -73.5 | -170 | 165.3 | 0 | 0 | 113.7 | V78 C83 | V78-E81 HydrophobicContact CB-CB 4.5Å; V78-E81 HydrophobicContact CB-CG 3.89Å; V78-E81 PolarHBondContact O-N 3.46Å; V78-E81 VanDerWaalsContact O-N 3.12Å; E81-C83 PolarHBondContact O-N 2.88Å |
| 82 | Q | 92.4 | Very high | 88.4 | Confident | 104 Ų | 104 | 87.3 Ų | 87.3 | 49% | 0.486 | 51% | 0.51 | S | S | . | . | B | Isolated β-bridge | trans | -72.9 | 125.3 | 173.9 | -73.1 | -179 | -23.1 | 0 | 0 | 111.1 | L108 | Q82-L108 CarbonylContact C-O 3.57Å; Q82-L108 WeakPolarHBondContact CA-O 3.38Å |
| 83 | C | 94.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 90 Ų | 90 | 0% | 0 | 50% | 0.503 | C | S | . | . | S | Bend | trans | -85.8 | -16.9 | 179 | 61.8 | 0 | 0 | 0 | 0 | 113.5 | E81 K93 L94 C103 L108 Q109 | E81-C83 PolarHBondContact O-N 2.88Å; C83-K93 WeakPolarHBondContact O-CA 3.26Å; C83-L94 PolarHBondContact O-N 3.06Å; C83-C103 VanDerWaalsContact C-SG 3.51Å; C83-C103 HydrophobicContact CB-CB 3.72Å; C83-C103 WeakPolarHBondContact CB-SG 3.46Å; C83-C103 WeakPolarHBondContact SG-CA 3.46Å; C83-C103 WeakPolarHBondContact SG-CB 3.43Å; C83-C103 CovalentContact SG-SG 2.02Å; C83-C103 PolarHBondContact SG-SG 3.38Å; C83-L108 PolarHBondContact N-O 2.94Å; C83-L108 VanDerWaalsContact SG-C 3.52Å; C83-L108 PolarHBondContact SG-O 3.12Å; C83-Q109 VanDerWaalsContact SG-CA 3.58Å; C83-Q109 PolarHBondContact SG-O 2.93Å |
| 84 | A | 95.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 86.7 Ų | 86.7 | 0% | 0 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 163 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | I91 G92 C103 F105 L108 | A84-I91 HydrophobicContact CB-CG2 3.96Å; A84-G92 CarbonylContact C-O 3.41Å; A84-G92 WeakPolarHBondContact CA-O 3.27Å; A84-G92 WeakPolarHBondContact CB-O 3.48Å; A84-C103 VanDerWaalsContact CB-SG 3.55Å; A84-F105 HydrophobicContact CB-CD1 3.89Å; A84-F105 HydrophobicContact CB-CE1 3.92Å; A84-L108 HydrophobicContact CB-CD2 4.08Å; A84-L108 WeakPolarHBondContact O-CB 3.35Å |
| 85 | V | 94.2 | Very high | 90.6 | Very high | 61 Ų | 61 | 84.5 Ų | 84.5 | 37% | 0.37 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 145.1 | 174.6 | -69.2 | 0 | 0 | 0 | 0 | 110.5 | I91 G92 L94 | V85-I91 WeakPolarHBondContact O-CA 3.43Å; V85-G92 PolarHBondContact N-O 2.94Å; V85-G92 PolarHBondContact O-N 3.31Å; V85-L94 HydrophobicContact CG1-CD1 3.66Å; V85-L94 HydrophobicContact CG1-CD2 4.25Å; V85-L94 HydrophobicContact CG1-CG 4.08Å; V85-L94 HydrophobicContact CG2-CD2 4.05Å; V85-L94 HydrophobicContact CG2-CG 4.45Å |
| 86 | R | 94.9 | Very high | 90.7 | Very high | 162 Ų | 162 | 82.8 Ų | 82.8 | 61% | 0.611 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 125.2 | 177.8 | -170.6 | 171.9 | -173.9 | 142.6 | -2.1 | 110.3 | G88 I91 | R86-G88 WeakPolarHBondContact CG-O 3.35Å; R86-G88 PolarHBondContact NE-O 2.97Å; R86-I91 HydrophobicContact CG-CG1 4.29Å |
| 87 | K | 93.8 | Very high | 90.8 | Very high | 189 Ų | 189 | 79.1 Ų | 79.1 | 82% | 0.822 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 96.2 | 171.5 | -166.1 | 171.2 | -177.6 | 175 | 0 | 108.4 | A89 R90 | K87-A89 PolarHBondContact O-N 3.45Å; K87-R90 PolarHBondContact N-O 2.99Å; K87-R90 PolarHBondContact O-N 3.01Å |
| 88 | G | 91.4 | Very high | 90.7 | Very high | 62 Ų | 62 | 81.8 Ų | 81.8 | 64% | 0.639 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | -122.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R86 | R86-G88 WeakPolarHBondContact CG-O 3.35Å; R86-G88 PolarHBondContact NE-O 2.97Å |
| 89 | A | 92.1 | Very high | 90.7 | Very high | 99 Ų | 99 | 89.6 Ų | 89.6 | 82% | 0.818 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -10.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K87 | K87-A89 PolarHBondContact O-N 3.45Š|
| 90 | R | 93.8 | Very high | 90.8 | Very high | 211 Ų | 211 | 88.4 Ų | 88.4 | 80% | 0.796 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 144.5 | -176.6 | -60.5 | -173.8 | -173.8 | -148.9 | 2.1 | 111.2 | K87 | K87-R90 PolarHBondContact N-O 2.99Å; K87-R90 PolarHBondContact O-N 3.01Å |
| 91 | I | 93.8 | Very high | 91.4 | Very high | 69 Ų | 69 | 87.1 Ų | 87.1 | 35% | 0.354 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 126.1 | 177 | -55.7 | -178.2 | 0 | 0 | 0 | 108.8 | A84 V85 R86 F105 | A84-I91 HydrophobicContact CB-CG2 3.96Å; V85-I91 WeakPolarHBondContact O-CA 3.43Å; R86-I91 HydrophobicContact CG-CG1 4.29Å; I91-F105 HydrophobicContact CD1-CB 3.98Å; I91-F105 HydrophobicContact CD1-CD1 4.42Å; I91-F105 HydrophobicContact CD1-CG 4.31Å; I91-F105 HydrophobicContact CG2-CD1 3.43Å; I91-F105 VanDerWaalsContact CG2-CD1 3.43Å; I91-F105 HydrophobicContact CG2-CE1 3.69Å; I91-F105 HydrophobicContact CG2-CG 4.31Å |
| 92 | G | 92.6 | Very high | 91.6 | Very high | 34 Ų | 34 | 88.6 Ų | 88.6 | 35% | 0.351 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 134.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | A84 V85 | A84-G92 CarbonylContact C-O 3.41Å; A84-G92 WeakPolarHBondContact CA-O 3.27Å; A84-G92 WeakPolarHBondContact CB-O 3.48Å; V85-G92 PolarHBondContact N-O 2.94Å; V85-G92 PolarHBondContact O-N 3.31Å |
| 93 | K | 92.8 | Very high | 91.6 | Very high | 124 Ų | 124 | 84.6 Ų | 84.6 | 54% | 0.539 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 139.8 | 173.5 | -69.4 | -177 | -178.5 | 179.9 | 0 | 110.3 | L74 C83 F105 | L74-K93 HydrophobicContact CD1-CB 3.37Å; L74-K93 HydrophobicContact CD1-CD 4.33Å; C83-K93 WeakPolarHBondContact O-CA 3.26Å; K93-F105 HydrophobicContact CG-CE1 4.19Å; K93-F105 HydrophobicContact CG-CZ 4.43Å |
| 94 | L | 92 | Very high | 91.6 | Very high | 87 Ų | 87 | 87.5 Ų | 87.5 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | trans | -98 | -39.9 | 177.3 | -63.6 | -177.6 | 0 | 0 | 0 | 112 | C83 V85 | C83-L94 PolarHBondContact O-N 3.06Å; V85-L94 HydrophobicContact CG1-CD1 3.66Å; V85-L94 HydrophobicContact CG1-CD2 4.25Å; V85-L94 HydrophobicContact CG1-CG 4.08Å; V85-L94 HydrophobicContact CG2-CD2 4.05Å; V85-L94 HydrophobicContact CG2-CG 4.45Å | ||
| 95 | C | 92.6 | Very high | 91.4 | Very high | 9 Ų | 9 | 91.9 Ų | 91.9 | 6% | 0.061 | 50% | 0.497 | C | S | . | . | S | Bend | trans | -146 | 162.6 | -175.3 | 55.4 | 0 | 0 | 0 | 0 | 110.8 | P75 C77 | P75-C95 CarbonylContact O-C 3.41Å; P75-C95 WeakPolarHBondContact O-CA 3.29Å; P75-C95 WeakPolarHBondContact O-CB 3.34Å; C77-C95 WeakPolarHBondContact CA-SG 3.28Å; C77-C95 HydrophobicContact CB-CB 3.92Å; C77-C95 WeakPolarHBondContact CB-SG 3.37Å; C77-C95 WeakPolarHBondContact SG-CB 3.34Å; C77-C95 CovalentContact SG-SG 2.03Å; C77-C95 PolarHBondContact SG-SG 2.99Å |
| 96 | G | 90.8 | Very high | 91.3 | Very high | 29 Ų | 29 | 94.3 Ų | 94.3 | 30% | 0.299 | 52% | 0.517 | S | S | . | . | B | Isolated β-bridge | trans | -89.1 | 123.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | P75 P76 C77 | P75-G96 PolarHBondContact O-N 3.38Å; P76-G96 CarbonylContact C-O 3.54Å; P76-G96 VanDerWaalsContact CA-O 3.32Å; P76-G96 WeakPolarHBondContact CA-O 3.26Å; C77-G96 PolarHBondContact N-O 2.82Å |
| 97 | C | 90.9 | Very high | 91.2 | Very high | 31 Ų | 31 | 91 Ų | 91 | 21% | 0.209 | 51% | 0.511 | C | S | . | . | P | Polyproline II helix | trans | -63 | 144.7 | 174.3 | -65.5 | 0 | 0 | 0 | 0 | 111.3 | T101 C103 C110 | C97-T101 WeakPolarHBondContact CB-O 3.49Å; C97-T101 WeakPolarHBondContact CB-OG1 3.36Å; C97-C103 PolarHBondContact SG-N 3.41Å; C97-C103 VanDerWaalsContact SG-N 3.43Å; C97-C110 WeakPolarHBondContact CA-SG 3.29Å; C97-C110 HydrophobicContact CB-CB 3.78Å; C97-C110 WeakPolarHBondContact CB-SG 3.32Å; C97-C110 VanDerWaalsContact SG-CA 3.53Å; C97-C110 WeakPolarHBondContact SG-CB 3.34Å; C97-C110 CovalentContact SG-SG 2.04Å; C97-C110 PolarHBondContact SG-SG 3.31Å |
| 98 | P | 87.7 | Confident | 91.2 | Very high | 73 Ų | 73 | 83.4 Ų | 83.4 | 47% | 0.474 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 161.8 | 178.2 | 26.5 | -34 | 0 | 0 | 0 | 111.6 | G100 T101 | P98-G100 PolarHBondContact O-N 3.13Å; P98-T101 WeakPolarHBondContact CD-OG1 3.31Å; P98-T101 WeakPolarHBondContact CG-OG1 3.34Å; P98-T101 PolarHBondContact O-N 2.75Å; P98-T101 VanDerWaalsContact O-N 3.09Å; P98-T101 PolarHBondContact O-OG1 3.46Å |
| 99 | R | 84.6 | Confident | 91.3 | Very high | 253 Ų | 253 | 84.7 Ų | 84.7 | 96% | 0.955 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 130.3 | -178.6 | -71.5 | -177.2 | 173.2 | 163 | -1.8 | 110.8 | ||
| 100 | G | 84.7 | Confident | 91.3 | Very high | 80 Ų | 80 | 82 Ų | 82 | 83% | 0.825 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.7 | -4.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | P98 | P98-G100 PolarHBondContact O-N 3.13Š|
| 101 | T | 88.6 | Confident | 91 | Very high | 45 Ų | 45 | 76.3 Ų | 76.3 | 28% | 0.276 | 44% | 0.441 | S | S | . | . | trans | -122.8 | 147.9 | 174.5 | 60 | 0 | 0 | 0 | 0 | 110.6 | C97 P98 A111 | C97-T101 WeakPolarHBondContact CB-O 3.49Å; C97-T101 WeakPolarHBondContact CB-OG1 3.36Å; P98-T101 WeakPolarHBondContact CD-OG1 3.31Å; P98-T101 WeakPolarHBondContact CG-OG1 3.34Å; P98-T101 PolarHBondContact O-N 2.75Å; P98-T101 VanDerWaalsContact O-N 3.09Å; P98-T101 PolarHBondContact O-OG1 3.46Å; T101-A111 CarbonylContact C-O 3.4Å; T101-A111 WeakPolarHBondContact CA-O 3.49Å | ||
| 102 | L | 91 | Very high | 90.9 | Very high | 139 Ų | 139 | 76.7 Ų | 76.7 | 73% | 0.728 | 45% | 0.445 | S | S | * | . | trans | -117.7 | 155 | 172.7 | -75.1 | 103.1 | 0 | 0 | 0 | 110.4 | N104 C110 A111 | L102-N104 PolarHBondContact O-N 3.07Å; L102-N104 VanDerWaalsContact O-N 3.16Å; L102-C110 WeakPolarHBondContact O-CA 3.5Å; L102-A111 PolarHBondContact N-O 3.35Å; L102-A111 PolarHBondContact O-N 3.26Å; L102-A111 VanDerWaalsContact O-O 3.13Å | ||
| 103 | C | 92.4 | Very high | 90.8 | Very high | 19 Ų | 19 | 78.9 Ų | 78.9 | 13% | 0.128 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 111.4 | 174.4 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | C83 A84 C97 F105 | C83-C103 VanDerWaalsContact C-SG 3.51Å; C83-C103 HydrophobicContact CB-CB 3.72Å; C83-C103 WeakPolarHBondContact CB-SG 3.46Å; C83-C103 WeakPolarHBondContact SG-CA 3.46Å; C83-C103 WeakPolarHBondContact SG-CB 3.43Å; C83-C103 CovalentContact SG-SG 2.02Å; C83-C103 PolarHBondContact SG-SG 3.38Å; A84-C103 VanDerWaalsContact CB-SG 3.55Å; C97-C103 PolarHBondContact SG-N 3.41Å; C97-C103 VanDerWaalsContact SG-N 3.43Å; C103-F105 PolarHBondContact O-N 2.97Å |
| 104 | N | 93.1 | Very high | 90.7 | Very high | 62 Ų | 62 | 76.4 Ų | 76.4 | 33% | 0.332 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 111.3 | 174.3 | -176.5 | -40 | 0 | 0 | 0 | 109.1 | L102 S106 I107 L108 Q109 A111 | L102-N104 PolarHBondContact O-N 3.07Å; L102-N104 VanDerWaalsContact O-N 3.16Å; N104-S106 PolarHBondContact O-N 3.5Å; N104-S106 WeakPolarHBondContact OD1-CA 3.41Å; N104-S106 VanDerWaalsContact OD1-CB 3.28Å; N104-S106 WeakPolarHBondContact OD1-CB 3.19Å; N104-S106 PolarHBondContact OD1-N 3.36Å; N104-I107 HydrophobicContact CB-CD1 4.17Å; N104-I107 HydrophobicContact CB-CG1 3.68Å; N104-I107 PolarHBondContact O-N 3.37Å; N104-I107 PolarHBondContact OD1-N 3.2Å; N104-L108 WeakPolarHBondContact O-CA 3.29Å; N104-L108 PolarHBondContact O-N 3.47Å; N104-Q109 WeakPolarHBondContact CB-O 3.45Å; N104-Q109 PolarHBondContact N-O 2.93Å; N104-Q109 PolarHBondContact O-N 3.26Å; N104-A111 HydrophobicContact CB-CB 4.38Å |
| 105 | F | 92.6 | Very high | 90.6 | Very high | 91 Ų | 91 | 75.8 Ų | 75.8 | 40% | 0.399 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -8.4 | -176.2 | -64.8 | -59.8 | 0 | 0 | 0 | 115 | A84 I91 K93 C103 L108 | A84-F105 HydrophobicContact CB-CD1 3.89Å; A84-F105 HydrophobicContact CB-CE1 3.92Å; I91-F105 HydrophobicContact CD1-CB 3.98Å; I91-F105 HydrophobicContact CD1-CD1 4.42Å; I91-F105 HydrophobicContact CD1-CG 4.31Å; I91-F105 HydrophobicContact CG2-CD1 3.43Å; I91-F105 VanDerWaalsContact CG2-CD1 3.43Å; I91-F105 HydrophobicContact CG2-CE1 3.69Å; I91-F105 HydrophobicContact CG2-CG 4.31Å; K93-F105 HydrophobicContact CG-CE1 4.19Å; K93-F105 HydrophobicContact CG-CZ 4.43Å; C103-F105 PolarHBondContact O-N 2.97Å; F105-L108 WeakPolarHBondContact O-CD2 3.34Å |
| 106 | S | 91.7 | Very high | 90.5 | Very high | 113 Ų | 113 | 79.9 Ų | 79.9 | 79% | 0.79 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -42.7 | 175 | -56 | 0 | 0 | 0 | 0 | 111.6 | N104 | N104-S106 PolarHBondContact O-N 3.5Å; N104-S106 WeakPolarHBondContact OD1-CA 3.41Å; N104-S106 VanDerWaalsContact OD1-CB 3.28Å; N104-S106 WeakPolarHBondContact OD1-CB 3.19Å; N104-S106 PolarHBondContact OD1-N 3.36Å |
| 107 | I | 92.4 | Very high | 90.5 | Very high | 92 Ų | 92 | 83.3 Ų | 83.3 | 47% | 0.472 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -6 | 178.1 | 60.8 | 169.4 | 0 | 0 | 0 | 113.2 | N104 Q109 | N104-I107 HydrophobicContact CB-CD1 4.17Å; N104-I107 HydrophobicContact CB-CG1 3.68Å; N104-I107 PolarHBondContact O-N 3.37Å; N104-I107 PolarHBondContact OD1-N 3.2Å; I107-Q109 HydrophobicContact CD1-CB 4.04Å; I107-Q109 HydrophobicContact CG1-CB 4.13Å; I107-Q109 PolarHBondContact O-N 3.28Å |
| 108 | L | 93.7 | Very high | 90.4 | Very high | 30 Ų | 30 | 87.1 Ų | 87.1 | 16% | 0.157 | 50% | 0.499 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 25.9 | -179 | -56.8 | 177.5 | 0 | 0 | 0 | 114.1 | Q82 C83 A84 N104 F105 | Q82-L108 CarbonylContact C-O 3.57Å; Q82-L108 WeakPolarHBondContact CA-O 3.38Å; C83-L108 PolarHBondContact N-O 2.94Å; C83-L108 VanDerWaalsContact SG-C 3.52Å; C83-L108 PolarHBondContact SG-O 3.12Å; A84-L108 HydrophobicContact CB-CD2 4.08Å; A84-L108 WeakPolarHBondContact O-CB 3.35Å; N104-L108 WeakPolarHBondContact O-CA 3.29Å; N104-L108 PolarHBondContact O-N 3.47Å; F105-L108 WeakPolarHBondContact O-CD2 3.34Å |
| 109 | Q | 92.8 | Very high | 90.7 | Very high | 88 Ų | 88 | 88.2 Ų | 88.2 | 41% | 0.411 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 158.9 | -177.5 | -72.1 | 177.2 | -16.2 | 0 | 0 | 111.2 | C83 N104 I107 | C83-Q109 VanDerWaalsContact SG-CA 3.58Å; C83-Q109 PolarHBondContact SG-O 2.93Å; N104-Q109 WeakPolarHBondContact CB-O 3.45Å; N104-Q109 PolarHBondContact N-O 2.93Å; N104-Q109 PolarHBondContact O-N 3.26Å; I107-Q109 HydrophobicContact CD1-CB 4.04Å; I107-Q109 HydrophobicContact CG1-CB 4.13Å; I107-Q109 PolarHBondContact O-N 3.28Å |
| 110 | C | 92.3 | Very high | 91.2 | Very high | 42 Ų | 42 | 74.4 Ų | 74.4 | 28% | 0.284 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 127.2 | 173.6 | -61.4 | 0 | 0 | 0 | 0 | 110.2 | C77 C97 L102 | C77-C110 VanDerWaalsContact SG-SG 3.65Å; C97-C110 WeakPolarHBondContact CA-SG 3.29Å; C97-C110 HydrophobicContact CB-CB 3.78Å; C97-C110 WeakPolarHBondContact CB-SG 3.32Å; C97-C110 VanDerWaalsContact SG-CA 3.53Å; C97-C110 WeakPolarHBondContact SG-CB 3.34Å; C97-C110 CovalentContact SG-SG 2.04Å; C97-C110 PolarHBondContact SG-SG 3.31Å; L102-C110 WeakPolarHBondContact O-CA 3.5Å |
| 111 | A | 88.6 | Confident | 91.7 | Very high | 92 Ų | 92 | 73.9 Ų | 73.9 | 76% | 0.76 | 43% | 0.431 | S | S | * | . | trans | -138.4 | 0 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | T101 L102 N104 | T101-A111 CarbonylContact C-O 3.4Å; T101-A111 WeakPolarHBondContact CA-O 3.49Å; L102-A111 PolarHBondContact N-O 3.35Å; L102-A111 PolarHBondContact O-N 3.26Å; L102-A111 VanDerWaalsContact O-O 3.13Å; N104-A111 HydrophobicContact CB-CB 4.38Å |
Retrieved 111 of 111 residues in 153.2 ms
(Link to these results)