| 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 | 59.3 | Low | 87 | Confident | 208 Ų | 208 | 114.6 Ų | 114.6 | 100% | 1.025 | 59% | 0.593 | S | S | * | * | 0 | 119.5 | 0 | -73.9 | -140.9 | 156.3 | 0 | 0 | 108.3 | Q5 | M1-Q5 VanDerWaalsContact CA-OE1 3.27Š| |||
| 2 | T | 82.8 | Confident | 87.6 | Confident | 87 Ų | 87 | 117.8 Ų | 117.8 | 53% | 0.534 | 60% | 0.599 | S | S | . | * | trans | -83.2 | 142.3 | -176.2 | 53.3 | 0 | 0 | 0 | 0 | 109.2 | R4 Q5 | T2-R4 PolarHBondContact O-N 3.4Å; T2-Q5 VanDerWaalsContact N-OE1 3.17Å; T2-Q5 WeakPolarHBondContact O-CA 3.49Å; T2-Q5 VanDerWaalsContact O-CB 3.32Å; T2-Q5 WeakPolarHBondContact O-CB 3.3Å; T2-Q5 PolarHBondContact O-N 3.01Å | ||
| 3 | W | 84.8 | Confident | 88 | Confident | 191 Ų | 191 | 113.3 Ų | 113.3 | 72% | 0.723 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -49.3 | -30.5 | -176.3 | 77 | -76.2 | 0 | 0 | 0 | 113.9 | Q5 A6 V7 | W3-Q5 VanDerWaalsContact C-N 3.33Å; W3-Q5 PolarHBondContact O-N 3.3Å; W3-A6 WeakPolarHBondContact O-CB 3.17Å; W3-A6 PolarHBondContact O-N 3.18Å; W3-A6 VanDerWaalsContact O-N 3.11Å; W3-V7 HydrophobicContact CE3-CG2 3.93Å; W3-V7 HydrophobicContact CZ3-CG2 4.14Å; W3-V7 PolarHBondContact O-N 3.22Å |
| 4 | R | 89.6 | Confident | 88.4 | Confident | 175 Ų | 175 | 108.5 Ų | 108.5 | 66% | 0.66 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -56.5 | -42.4 | 171.9 | -66.3 | -175.9 | 176.3 | -174.4 | -1 | 112.7 | T2 A6 V7 L8 | T2-R4 PolarHBondContact O-N 3.4Å; R4-A6 VanDerWaalsContact C-N 3.34Å; R4-V7 PolarHBondContact O-N 3.46Å; R4-L8 WeakPolarHBondContact O-CB 3.4Å; R4-L8 VanDerWaalsContact O-CG 3.24Å; R4-L8 WeakPolarHBondContact O-CG 3.42Å; R4-L8 PolarHBondContact O-N 2.96Å |
| 5 | Q | 88.4 | Confident | 88.7 | Confident | 89 Ų | 89 | 107.7 Ų | 107.7 | 42% | 0.416 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.4 | -38.4 | 175.3 | -65.7 | 175.7 | -37.6 | 0 | 0 | 111.3 | M1 T2 W3 L8 L9 | M1-Q5 VanDerWaalsContact CA-OE1 3.27Å; T2-Q5 VanDerWaalsContact N-OE1 3.17Å; T2-Q5 WeakPolarHBondContact O-CA 3.49Å; T2-Q5 VanDerWaalsContact O-CB 3.32Å; T2-Q5 WeakPolarHBondContact O-CB 3.3Å; T2-Q5 PolarHBondContact O-N 3.01Å; W3-Q5 VanDerWaalsContact C-N 3.33Å; W3-Q5 PolarHBondContact O-N 3.3Å; Q5-L8 PolarHBondContact O-N 3.24Å; Q5-L9 VanDerWaalsContact O-CB 3.31Å; Q5-L9 WeakPolarHBondContact O-CB 3.47Å; Q5-L9 WeakPolarHBondContact O-CD1 3.46Å; Q5-L9 WeakPolarHBondContact O-CG 3.38Å; Q5-L9 PolarHBondContact O-N 3.33Å |
| 6 | A | 89 | Confident | 88.9 | Confident | 63 Ų | 63 | 104.8 Ų | 104.8 | 52% | 0.521 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.5 | -43.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | W3 R4 L9 S10 | W3-A6 WeakPolarHBondContact O-CB 3.17Å; W3-A6 PolarHBondContact O-N 3.18Å; W3-A6 VanDerWaalsContact O-N 3.11Å; R4-A6 VanDerWaalsContact C-N 3.34Å; A6-L9 PolarHBondContact O-N 2.91Å; A6-S10 WeakPolarHBondContact O-CB 3.27Å; A6-S10 PolarHBondContact O-N 3.37Å |
| 7 | V | 92.2 | Very high | 88.9 | Confident | 72 Ų | 72 | 105.2 Ų | 105.2 | 44% | 0.436 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.1 | -45.3 | 175.5 | 176.2 | 0 | 0 | 0 | 0 | 111 | W3 R4 L9 S10 C11 | W3-V7 HydrophobicContact CE3-CG2 3.93Å; W3-V7 HydrophobicContact CZ3-CG2 4.14Å; W3-V7 PolarHBondContact O-N 3.22Å; R4-V7 PolarHBondContact O-N 3.46Å; V7-L9 PolarHBondContact O-N 3.25Å; V7-S10 PolarHBondContact O-N 2.71Å; V7-C11 PolarHBondContact O-N 3.08Å; V7-C11 PolarHBondContact O-SG 3.36Å; V7-C11 VanDerWaalsContact O-SG 3.35Å |
| 8 | L | 92.3 | Very high | 88.9 | Confident | 121 Ų | 121 | 105.8 Ų | 105.8 | 63% | 0.634 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.1 | -43.4 | 178.1 | -72.6 | 171.9 | 0 | 0 | 0 | 112 | R4 Q5 C11 F12 | R4-L8 WeakPolarHBondContact O-CB 3.4Å; R4-L8 VanDerWaalsContact O-CG 3.24Å; R4-L8 WeakPolarHBondContact O-CG 3.42Å; R4-L8 PolarHBondContact O-N 2.96Å; Q5-L8 PolarHBondContact O-N 3.24Å; L8-C11 PolarHBondContact O-N 3.32Å; L8-F12 WeakPolarHBondContact O-CB 3.34Å; L8-F12 PolarHBondContact O-N 2.89Å |
| 9 | L | 93.3 | Very high | 88.6 | Confident | 109 Ų | 109 | 102.5 Ų | 102.5 | 57% | 0.571 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.7 | -41.7 | 175.5 | -75.8 | 166.8 | 0 | 0 | 0 | 111.7 | Q5 A6 V7 F12 S13 | Q5-L9 VanDerWaalsContact O-CB 3.31Å; Q5-L9 WeakPolarHBondContact O-CB 3.47Å; Q5-L9 WeakPolarHBondContact O-CD1 3.46Å; Q5-L9 WeakPolarHBondContact O-CG 3.38Å; Q5-L9 PolarHBondContact O-N 3.33Å; A6-L9 PolarHBondContact O-N 2.91Å; V7-L9 PolarHBondContact O-N 3.25Å; L9-F12 PolarHBondContact O-N 3.41Å; L9-S13 PolarHBondContact O-N 3.26Å; L9-S13 PolarHBondContact O-OG 3.42Å |
| 10 | S | 93.2 | Very high | 88.3 | Confident | 74 Ų | 74 | 103 Ų | 103 | 52% | 0.517 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 176 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | A6 V7 F12 S13 A14 | A6-S10 WeakPolarHBondContact O-CB 3.27Å; A6-S10 PolarHBondContact O-N 3.37Å; V7-S10 PolarHBondContact O-N 2.71Å; S10-F12 VanDerWaalsContact C-N 3.34Å; S10-S13 WeakPolarHBondContact CA-OG 3.43Å; S10-S13 PolarHBondContact O-N 3.1Å; S10-S13 PolarHBondContact O-OG 3.13Å; S10-A14 WeakPolarHBondContact O-CB 3.1Å; S10-A14 PolarHBondContact O-N 3.37Å |
| 11 | C | 92.4 | Very high | 87.9 | Confident | 72 Ų | 72 | 103.2 Ų | 103.2 | 49% | 0.486 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.8 | -42.3 | 175.6 | -69 | 0 | 0 | 0 | 0 | 111 | V7 L8 A14 V15 | V7-C11 PolarHBondContact O-N 3.08Å; V7-C11 PolarHBondContact O-SG 3.36Å; V7-C11 VanDerWaalsContact O-SG 3.35Å; L8-C11 PolarHBondContact O-N 3.32Å; C11-A14 PolarHBondContact O-N 3.33Å; C11-V15 WeakPolarHBondContact O-CG2 3.42Å; C11-V15 PolarHBondContact O-N 3.29Å |
| 12 | F | 93.5 | Very high | 88.7 | Confident | 152 Ų | 152 | 102.6 Ų | 102.6 | 67% | 0.667 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.9 | -44 | 178.1 | -151.8 | -89 | 0 | 0 | 0 | 111.3 | L8 L9 S10 A14 V15 V16 | L8-F12 WeakPolarHBondContact O-CB 3.34Å; L8-F12 PolarHBondContact O-N 2.89Å; L9-F12 PolarHBondContact O-N 3.41Å; S10-F12 VanDerWaalsContact C-N 3.34Å; F12-A14 VanDerWaalsContact C-N 3.34Å; F12-A14 PolarHBondContact O-N 3.13Å; F12-V15 PolarHBondContact O-N 3.42Å; F12-V16 HydrophobicContact CD1-CG2 4.08Å; F12-V16 HydrophobicContact CE1-CG2 4.16Å; F12-V16 WeakPolarHBondContact O-CG2 3.43Å; F12-V16 PolarHBondContact O-N 2.9Å |
| 13 | S | 93.2 | Very high | 88 | Confident | 60 Ų | 60 | 104.2 Ų | 104.2 | 42% | 0.42 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.6 | -37.6 | 175 | 59.7 | 0 | 0 | 0 | 0 | 112.6 | L9 S10 V16 L17 | L9-S13 PolarHBondContact O-N 3.26Å; L9-S13 PolarHBondContact O-OG 3.42Å; S10-S13 WeakPolarHBondContact CA-OG 3.43Å; S10-S13 PolarHBondContact O-N 3.1Å; S10-S13 PolarHBondContact O-OG 3.13Å; S13-V16 PolarHBondContact O-N 3.28Å; S13-L17 WeakPolarHBondContact O-CB 3.4Å; S13-L17 VanDerWaalsContact O-CG 3.31Å; S13-L17 WeakPolarHBondContact O-CG 3.42Å; S13-L17 PolarHBondContact O-N 3.44Å |
| 14 | A | 93.5 | Very high | 86.9 | Confident | 46 Ų | 46 | 97.5 Ų | 97.5 | 38% | 0.38 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S10 C11 F12 L17 L18 | S10-A14 WeakPolarHBondContact O-CB 3.1Å; S10-A14 PolarHBondContact O-N 3.37Å; C11-A14 PolarHBondContact O-N 3.33Å; F12-A14 VanDerWaalsContact C-N 3.34Å; F12-A14 PolarHBondContact O-N 3.13Å; A14-L17 PolarHBondContact O-N 3.39Å; A14-L18 WeakPolarHBondContact O-CB 3.3Å; A14-L18 VanDerWaalsContact O-CG 3.25Å; A14-L18 WeakPolarHBondContact O-CG 3.49Å; A14-L18 PolarHBondContact O-N 2.74Å |
| 15 | V | 92.9 | Very high | 85.2 | Confident | 97 Ų | 97 | 94.4 Ų | 94.4 | 59% | 0.588 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64 | -43.2 | 175.5 | 173.7 | 0 | 0 | 0 | 0 | 111 | C11 F12 L18 S19 | C11-V15 WeakPolarHBondContact O-CG2 3.42Å; C11-V15 PolarHBondContact O-N 3.29Å; F12-V15 PolarHBondContact O-N 3.42Å; V15-L18 PolarHBondContact O-N 3.01Å; V15-S19 PolarHBondContact O-N 3.46Å; V15-S19 PolarHBondContact O-OG 3.15Å; V15-S19 VanDerWaalsContact O-OG 3.1Å |
| 16 | V | 91.7 | Very high | 83.3 | Confident | 61 Ų | 61 | 93.8 Ų | 93.8 | 37% | 0.37 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 176.3 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | F12 S13 L18 S19 M20 | F12-V16 HydrophobicContact CD1-CG2 4.08Å; F12-V16 HydrophobicContact CE1-CG2 4.16Å; F12-V16 WeakPolarHBondContact O-CG2 3.43Å; F12-V16 PolarHBondContact O-N 2.9Å; S13-V16 PolarHBondContact O-N 3.28Å; V16-L18 VanDerWaalsContact C-N 3.34Å; V16-L18 PolarHBondContact O-N 3.15Å; V16-S19 VanDerWaalsContact CA-OG 3.31Å; V16-S19 WeakPolarHBondContact CA-OG 3.44Å; V16-S19 PolarHBondContact O-N 3.49Å; V16-S19 PolarHBondContact O-OG 3.41Å; V16-M20 HydrophobicContact CG1-CE 4.49Å; V16-M20 HydrophobicContact CG1-CG 4.41Å; V16-M20 WeakPolarHBondContact O-CG 3.18Å; V16-M20 PolarHBondContact O-N 3.08Å |
| 17 | L | 89.2 | Confident | 81.3 | Confident | 111 Ų | 111 | 96.4 Ų | 96.4 | 58% | 0.581 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.3 | -43.6 | 174.9 | -74.9 | 171.6 | 0 | 0 | 0 | 111.3 | S13 A14 M20 L21 | S13-L17 WeakPolarHBondContact O-CB 3.4Å; S13-L17 VanDerWaalsContact O-CG 3.31Å; S13-L17 WeakPolarHBondContact O-CG 3.42Å; S13-L17 PolarHBondContact O-N 3.44Å; A14-L17 PolarHBondContact O-N 3.39Å; L17-M20 PolarHBondContact O-N 3.29Å; L17-L21 WeakPolarHBondContact O-CB 3.32Å; L17-L21 WeakPolarHBondContact O-CD1 3.46Å; L17-L21 PolarHBondContact O-N 3.41Å |
| 18 | L | 88.2 | Confident | 78.7 | Confident | 116 Ų | 116 | 97.3 Ų | 97.3 | 61% | 0.607 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.3 | -36.1 | 177.8 | -72.2 | 171.1 | 0 | 0 | 0 | 112.7 | A14 V15 V16 R22 | A14-L18 WeakPolarHBondContact O-CB 3.3Å; A14-L18 VanDerWaalsContact O-CG 3.25Å; A14-L18 WeakPolarHBondContact O-CG 3.49Å; A14-L18 PolarHBondContact O-N 2.74Å; V15-L18 PolarHBondContact O-N 3.01Å; V16-L18 VanDerWaalsContact C-N 3.34Å; V16-L18 PolarHBondContact O-N 3.15Å; L18-R22 VanDerWaalsContact O-CB 3.28Å; L18-R22 WeakPolarHBondContact O-CB 3.37Å; L18-R22 PolarHBondContact O-N 3.06Å |
| 19 | S | 83.4 | Confident | 76.3 | Confident | 43 Ų | 43 | 98 Ų | 98 | 30% | 0.301 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69 | -40.8 | 173.7 | 48.6 | 0 | 0 | 0 | 0 | 111.9 | V15 V16 R22 E23 | V15-S19 PolarHBondContact O-N 3.46Å; V15-S19 PolarHBondContact O-OG 3.15Å; V15-S19 VanDerWaalsContact O-OG 3.1Å; V16-S19 VanDerWaalsContact CA-OG 3.31Å; V16-S19 WeakPolarHBondContact CA-OG 3.44Å; V16-S19 PolarHBondContact O-N 3.49Å; V16-S19 PolarHBondContact O-OG 3.41Å; S19-R22 PolarHBondContact O-N 3.26Å; S19-E23 WeakPolarHBondContact O-CB 3.47Å; S19-E23 WeakPolarHBondContact O-CG 3.39Å; S19-E23 PolarHBondContact O-N 3.2Å |
| 20 | M | 83.1 | Confident | 73.9 | Confident | 113 Ų | 113 | 95.4 Ų | 95.4 | 56% | 0.557 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66 | -39.2 | 174.9 | -65.5 | -68.4 | 158.7 | 0 | 0 | 111.7 | V16 L17 E23 G24 | V16-M20 HydrophobicContact CG1-CE 4.49Å; V16-M20 HydrophobicContact CG1-CG 4.41Å; V16-M20 WeakPolarHBondContact O-CG 3.18Å; V16-M20 PolarHBondContact O-N 3.08Å; L17-M20 PolarHBondContact O-N 3.29Å; M20-E23 PolarHBondContact O-N 2.84Å; M20-G24 PolarHBondContact O-N 3.11Å |
| 21 | L | 79.4 | Confident | 71.6 | Confident | 108 Ų | 108 | 97.5 Ų | 97.5 | 57% | 0.565 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.6 | -42.1 | 171.6 | -92.1 | 144.8 | 0 | 0 | 0 | 110.9 | L17 G24 T25 | L17-L21 WeakPolarHBondContact O-CB 3.32Å; L17-L21 WeakPolarHBondContact O-CD1 3.46Å; L17-L21 PolarHBondContact O-N 3.41Å; L21-G24 CarbonylContact O-C 3.3Å; L21-G24 PolarHBondContact O-N 3.2Å; L21-T25 WeakPolarHBondContact O-CB 3.44Å; L21-T25 WeakPolarHBondContact O-CG2 3.37Å; L21-T25 PolarHBondContact O-N 3.44Å; L21-T25 PolarHBondContact O-OG1 3.46Å |
| 22 | R | 76.6 | Confident | 69.2 | Low | 194 Ų | 194 | 102.9 Ų | 102.9 | 73% | 0.732 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.2 | -44.5 | 176.8 | -173.1 | 174 | 176.3 | -170.7 | -2.4 | 111.5 | L18 S19 T25 S26 | L18-R22 VanDerWaalsContact O-CB 3.28Å; L18-R22 WeakPolarHBondContact O-CB 3.37Å; L18-R22 PolarHBondContact O-N 3.06Å; S19-R22 PolarHBondContact O-N 3.26Å; R22-T25 VanDerWaalsContact CA-OG1 3.28Å; R22-T25 WeakPolarHBondContact CA-OG1 3.28Å; R22-T25 CarbonylContact O-C 3.6Å; R22-T25 PolarHBondContact O-N 3.36Å; R22-T25 PolarHBondContact O-OG1 3.35Å; R22-S26 PolarHBondContact O-N 2.92Å; R22-S26 PolarHBondContact O-OG 3.01Å |
| 23 | E | 67.7 | Low | 66.5 | Low | 122 Ų | 122 | 102.8 Ų | 102.8 | 57% | 0.57 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.1 | -39.6 | 176.3 | -72.4 | 172.6 | -158.7 | 0 | 0 | 112 | S19 M20 S26 | S19-E23 WeakPolarHBondContact O-CB 3.47Å; S19-E23 WeakPolarHBondContact O-CG 3.39Å; S19-E23 PolarHBondContact O-N 3.2Å; M20-E23 PolarHBondContact O-N 2.84Å; E23-S26 WeakPolarHBondContact CA-OG 3.47Å; E23-S26 CarbonylContact O-C 3.52Å; E23-S26 VanDerWaalsContact O-C 3.3Å; E23-S26 WeakPolarHBondContact O-CA 3.49Å; E23-S26 PolarHBondContact O-N 3.4Å; E23-S26 VanDerWaalsContact O-N 3.13Å; E23-S26 PolarHBondContact O-OG 2.63Å |
| 24 | G | 61.3 | Low | 63.8 | Low | 50 Ų | 50 | 107.8 Ų | 107.8 | 52% | 0.515 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.9 | -28.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | M20 L21 S26 V27 | M20-G24 PolarHBondContact O-N 3.11Å; L21-G24 CarbonylContact O-C 3.3Å; L21-G24 PolarHBondContact O-N 3.2Å; G24-S26 VanDerWaalsContact C-N 3.3Å; G24-V27 PolarHBondContact O-N 3.04Å |
| 25 | T | 55 | Low | 61.4 | Low | 109 Ų | 109 | 110.9 Ų | 110.9 | 67% | 0.669 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -81.6 | -11.7 | 170.4 | 61 | 0 | 0 | 0 | 0 | 112.4 | L21 R22 V27 | L21-T25 WeakPolarHBondContact O-CB 3.44Å; L21-T25 WeakPolarHBondContact O-CG2 3.37Å; L21-T25 PolarHBondContact O-N 3.44Å; L21-T25 PolarHBondContact O-OG1 3.46Å; R22-T25 VanDerWaalsContact CA-OG1 3.28Å; R22-T25 WeakPolarHBondContact CA-OG1 3.28Å; R22-T25 CarbonylContact O-C 3.6Å; R22-T25 PolarHBondContact O-N 3.36Å; R22-T25 PolarHBondContact O-OG1 3.35Å; T25-V27 VanDerWaalsContact C-N 3.29Å |
| 26 | S | 48.9 | Very low | 58.9 | Low | 76 Ų | 76 | 109 Ų | 109 | 53% | 0.531 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.5 | 43.8 | 163.2 | 64.9 | 0 | 0 | 0 | 0 | 111.7 | R22 E23 G24 S28 | R22-S26 PolarHBondContact O-N 2.92Å; R22-S26 PolarHBondContact O-OG 3.01Å; E23-S26 WeakPolarHBondContact CA-OG 3.47Å; E23-S26 CarbonylContact O-C 3.52Å; E23-S26 VanDerWaalsContact O-C 3.3Å; E23-S26 WeakPolarHBondContact O-CA 3.49Å; E23-S26 PolarHBondContact O-N 3.4Å; E23-S26 VanDerWaalsContact O-N 3.13Å; E23-S26 PolarHBondContact O-OG 2.63Å; G24-S26 VanDerWaalsContact C-N 3.3Å; S26-S28 PolarHBondContact O-N 3.36Å |
| 27 | V | 46.4 | Very low | 56.8 | Low | 118 Ų | 118 | 114.2 Ų | 114.2 | 72% | 0.715 | 66% | 0.658 | S | S | * | * | trans | -71 | 77.1 | 139.7 | 176 | 0 | 0 | 0 | 0 | 104.7 | G24 T25 V29 | G24-V27 PolarHBondContact O-N 3.04Å; T25-V27 VanDerWaalsContact C-N 3.29Å; V27-V29 PolarHBondContact O-N 2.53Å | ||
| 28 | S | 37 | Very low | 54.7 | Low | 91 Ų | 91 | 117.2 Ų | 117.2 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | 47.9 | 78.3 | 97 | -166.8 | 0 | 0 | 0 | 0 | 108.4 | S26 G30 | S26-S28 PolarHBondContact O-N 3.36Å; S28-G30 PolarHBondContact O-N 3.17Å | |||
| 29 | V | 43.4 | Very low | 53.1 | Low | 136 Ų | 136 | 115.5 Ų | 115.5 | 82% | 0.824 | 67% | 0.671 | S | S | * | * | trans | -50.9 | 101 | 150.2 | 176.3 | 0 | 0 | 0 | 0 | 103.8 | V27 T31 | V27-V29 PolarHBondContact O-N 2.53Å; V29-T31 PolarHBondContact O-N 3.25Å | ||
| 30 | G | 41.6 | Very low | 51.7 | Low | 55 Ų | 55 | 116.2 Ų | 116.2 | 57% | 0.567 | 68% | 0.676 | S | S | * | * | trans | -49.2 | 121.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | S28 M32 | S28-G30 PolarHBondContact O-N 3.17Å; G30-M32 PolarHBondContact O-N 3.4Å | ||
| 31 | T | 45.3 | Very low | 50.5 | Low | 118 Ų | 118 | 117.2 Ų | 117.2 | 72% | 0.724 | 68% | 0.68 | S | S | * | * | trans | -63.5 | 71.7 | 166 | -48.8 | 0 | 0 | 0 | 0 | 107.4 | V29 Q33 | V29-T31 PolarHBondContact O-N 3.25Å; T31-Q33 HydrophobicContact CG2-CG 3.91Å; T31-Q33 PolarHBondContact O-N 3.18Å | ||
| 32 | M | 41.1 | Very low | 49.7 | Very low | 185 Ų | 185 | 117.5 Ų | 117.5 | 91% | 0.911 | 68% | 0.682 | S | S | * | * | trans | -82.4 | 78.8 | 152.9 | -128.3 | -169.9 | -132.6 | 0 | 0 | 104.9 | G30 M34 | G30-M32 PolarHBondContact O-N 3.4Å; M32-M34 PolarHBondContact O-N 3Å; M32-M34 VanDerWaalsContact O-N 3.11Å | ||
| 33 | Q | 38.6 | Very low | 49.1 | Very low | 150 Ų | 150 | 111.1 Ų | 111.1 | 70% | 0.701 | 67% | 0.671 | S | S | * | * | trans | -51.4 | 114 | 144.5 | -76.7 | 171.7 | -17.8 | 0 | 0 | 105.8 | T31 | T31-Q33 HydrophobicContact CG2-CG 3.91Å; T31-Q33 PolarHBondContact O-N 3.18Å | ||
| 34 | M | 35.4 | Very low | 48.8 | Very low | 164 Ų | 164 | 111.5 Ų | 111.5 | 81% | 0.808 | 67% | 0.67 | S | S | * | * | S | Bend | 158.9 | 125.7 | 125.2 | -78.2 | -53.3 | 167.5 | 0 | 0 | 109.1 | M32 | M32-M34 PolarHBondContact O-N 3Å; M32-M34 VanDerWaalsContact O-N 3.11Å | |
| 35 | A | 43 | Very low | 48.9 | Very low | 112 Ų | 112 | 115.4 Ų | 115.4 | 93% | 0.926 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 73.8 | 90.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 36 | G | 40.4 | Very low | 49.6 | Very low | 56 Ų | 56 | 119.2 Ų | 119.2 | 58% | 0.577 | 68% | 0.682 | S | S | * | * | trans | 143.4 | 60.1 | 154.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | E38 A39 | G36-E38 PolarHBondContact O-N 2.87Å; G36-A39 PolarHBondContact O-N 2.71Å | ||
| 37 | E | 46.9 | Very low | 50.9 | Low | 172 Ų | 172 | 122 Ų | 122 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -9.1 | 178.7 | -158 | 151.8 | 160.5 | 0 | 0 | 113.8 | ||
| 38 | E | 47 | Very low | 52.5 | Low | 174 Ų | 174 | 123.7 Ų | 123.7 | 81% | 0.813 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -22.2 | -178.4 | -58.2 | -67.2 | 150.8 | 0 | 0 | 114.7 | G36 | G36-E38 PolarHBondContact O-N 2.87Š|
| 39 | A | 54.4 | Low | 54.7 | Low | 79 Ų | 79 | 124.4 Ų | 124.4 | 65% | 0.653 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -88.7 | -17.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G36 | G36-A39 PolarHBondContact O-N 2.71Å |
| 40 | S | 52.5 | Low | 56.6 | Low | 58 Ų | 58 | 124.2 Ų | 124.2 | 41% | 0.406 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -85.6 | -22.5 | -176.1 | 81.7 | 0 | 0 | 0 | 0 | 113.5 | K44 | S40-K44 WeakPolarHBondContact O-CG 3.35Å; S40-K44 PolarHBondContact O-N 2.85Å |
| 41 | E | 58.3 | Low | 58.6 | Low | 134 Ų | 134 | 129.7 Ų | 129.7 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -70.7 | -39.6 | 179 | -62.8 | -136.3 | 140.8 | 0 | 0 | 111.7 | K44 Q45 | E41-K44 PolarHBondContact O-N 3.4Å; E41-Q45 PolarHBondContact O-N 2.93Å |
| 42 | D | 63.2 | Low | 60.3 | Low | 114 Ų | 114 | 126.5 Ų | 126.5 | 61% | 0.61 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -69.5 | -38 | -178 | -152.4 | 25.7 | 0 | 0 | 0 | 111.9 | Q45 K46 | D42-Q45 PolarHBondContact O-N 3.36Å; D42-K46 PolarHBondContact O-N 3.3Å; D42-K46 VanDerWaalsContact O-N 3.08Å |
| 43 | A | 63.6 | Low | 62.3 | Low | 60 Ų | 60 | 121.9 Ų | 121.9 | 50% | 0.496 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -68 | -36.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K46 I47 | A43-K46 PolarHBondContact O-N 3.07Å; A43-I47 PolarHBondContact O-N 3.46Å |
| 44 | K | 61 | Low | 64.3 | Low | 130 Ų | 130 | 116.5 Ų | 116.5 | 57% | 0.565 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.6 | -42.3 | 172.9 | -78.3 | 174.3 | -178 | 171.3 | 0 | 111.3 | S40 E41 K46 I47 F48 | S40-K44 WeakPolarHBondContact O-CG 3.35Å; S40-K44 PolarHBondContact O-N 2.85Å; E41-K44 PolarHBondContact O-N 3.4Å; K44-K46 PolarHBondContact O-N 3.46Å; K44-I47 PolarHBondContact O-N 2.83Å; K44-I47 VanDerWaalsContact O-N 3.15Å; K44-F48 VanDerWaalsContact O-CD2 3.27Å; K44-F48 WeakPolarHBondContact O-CD2 3.12Å; K44-F48 PolarHBondContact O-N 3.32Å |
| 45 | Q | 64.3 | Low | 66.5 | Low | 133 Ų | 133 | 111.1 Ų | 111.1 | 62% | 0.621 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -59.6 | -31.7 | 174.4 | -85.6 | -176.1 | 3.4 | 0 | 0 | 112.7 | E41 D42 F48 | E41-Q45 PolarHBondContact O-N 2.93Å; D42-Q45 PolarHBondContact O-N 3.36Å; Q45-F48 CarbonylContact O-C 3.59Å |
| 46 | K | 68.4 | Low | 68.2 | Low | 188 Ų | 188 | 109.9 Ų | 109.9 | 82% | 0.817 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -71.1 | -28.7 | 177.2 | -162.8 | 170.8 | -176.2 | 177.8 | 0 | 114 | D42 A43 K44 | D42-K46 PolarHBondContact O-N 3.3Å; D42-K46 VanDerWaalsContact O-N 3.08Å; A43-K46 PolarHBondContact O-N 3.07Å; K44-K46 PolarHBondContact O-N 3.46Å |
| 47 | I | 76.8 | Confident | 70 | Confident | 135 Ų | 135 | 112.2 Ų | 112.2 | 69% | 0.692 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -80.9 | -38.9 | 175.8 | -60.2 | 170.5 | 0 | 0 | 0 | 110.2 | A43 K44 | A43-I47 PolarHBondContact O-N 3.46Å; K44-I47 PolarHBondContact O-N 2.83Å; K44-I47 VanDerWaalsContact O-N 3.15Å |
| 48 | F | 80.3 | Confident | 71.3 | Confident | 153 Ų | 153 | 110.1 Ų | 110.1 | 67% | 0.671 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -98.4 | 96.4 | -178.2 | -64.2 | -72.7 | 0 | 0 | 0 | 111.1 | K44 Q45 Q50 | K44-F48 VanDerWaalsContact O-CD2 3.27Å; K44-F48 WeakPolarHBondContact O-CD2 3.12Å; K44-F48 PolarHBondContact O-N 3.32Å; Q45-F48 CarbonylContact O-C 3.59Å; F48-Q50 PolarHBondContact O-N 2.99Å |
| 49 | M | 82.8 | Confident | 72.6 | Confident | 107 Ų | 107 | 108.5 Ų | 108.5 | 53% | 0.527 | 56% | 0.561 | S | S | . | * | trans | -56.2 | 135.1 | 170.2 | 178.7 | 170.4 | 50.9 | 0 | 0 | 110.7 | D53 A54 | M49-D53 HydrophobicContact CG-CB 3.81Å; M49-D53 HydrophobicContact SD-CB 4.12Å; M49-A54 HydrophobicContact CE-CB 3.69Å; M49-A54 HydrophobicContact CG-CB 4.37Å; M49-A54 HydrophobicContact SD-CB 4.5Å | ||
| 50 | Q | 84.5 | Confident | 73.3 | Confident | 131 Ų | 131 | 115.2 Ų | 115.2 | 61% | 0.612 | 57% | 0.57 | S | S | * | * | trans | -56.3 | 140.2 | 178.4 | -164.5 | 174.2 | 40 | 0 | 0 | 111.2 | F48 S52 D53 A54 | F48-Q50 PolarHBondContact O-N 2.99Å; Q50-S52 WeakPolarHBondContact CG-OG 3.33Å; Q50-S52 PolarHBondContact O-N 3.16Å; Q50-S52 VanDerWaalsContact O-N 3.15Å; Q50-S52 PolarHBondContact OE1-OG 3.06Å; Q50-D53 PolarHBondContact O-N 3.03Å; Q50-A54 PolarHBondContact O-N 2.85Å | ||
| 51 | E | 81.9 | Confident | 74 | Confident | 171 Ų | 171 | 120.9 Ų | 120.9 | 80% | 0.799 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -57.3 | -34.6 | -173.7 | 67.4 | 171.2 | -165.1 | 0 | 0 | 113.4 | A54 S55 | E51-A54 PolarHBondContact O-N 2.98Å; E51-S55 WeakPolarHBondContact O-CB 3.32Å; E51-S55 PolarHBondContact O-N 3.21Å |
| 52 | S | 81.7 | Confident | 74.5 | Confident | 50 Ų | 50 | 117.7 Ų | 117.7 | 35% | 0.35 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62 | -45.3 | 176.5 | 44.3 | 0 | 0 | 0 | 0 | 111.2 | Q50 S55 N56 | Q50-S52 WeakPolarHBondContact CG-OG 3.33Å; Q50-S52 PolarHBondContact O-N 3.16Å; Q50-S52 VanDerWaalsContact O-N 3.15Å; Q50-S52 PolarHBondContact OE1-OG 3.06Å; S52-S55 PolarHBondContact O-N 3.45Å; S52-S55 PolarHBondContact O-OG 3.44Å; S52-N56 PolarHBondContact O-N 2.95Å; S52-N56 PolarHBondContact O-ND2 3.47Å; S52-N56 VanDerWaalsContact O-ND2 3.13Å |
| 53 | D | 82.5 | Confident | 74.9 | Confident | 88 Ų | 88 | 121.6 Ų | 121.6 | 47% | 0.471 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.5 | -40.5 | 178.5 | -72 | -11.1 | 0 | 0 | 0 | 111.5 | M49 Q50 S55 N56 F57 | M49-D53 HydrophobicContact CG-CB 3.81Å; M49-D53 HydrophobicContact SD-CB 4.12Å; Q50-D53 PolarHBondContact O-N 3.03Å; D53-S55 VanDerWaalsContact C-N 3.29Å; D53-S55 PolarHBondContact O-N 3.43Å; D53-N56 PolarHBondContact O-N 3.15Å; D53-N56 VanDerWaalsContact O-N 3.13Å; D53-F57 PolarHBondContact O-N 3.37Å; D53-F57 VanDerWaalsContact O-N 3.1Å |
| 54 | A | 81.5 | Confident | 75.4 | Confident | 37 Ų | 37 | 128.5 Ų | 128.5 | 31% | 0.306 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -59.7 | -40.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M49 Q50 E51 N56 F57 | M49-A54 HydrophobicContact CE-CB 3.69Å; M49-A54 HydrophobicContact CG-CB 4.37Å; M49-A54 HydrophobicContact SD-CB 4.5Å; Q50-A54 PolarHBondContact O-N 2.85Å; E51-A54 PolarHBondContact O-N 2.98Å; A54-N56 VanDerWaalsContact C-N 3.25Å; A54-N56 PolarHBondContact O-N 3.4Å; A54-F57 WeakPolarHBondContact O-CB 3.45Å; A54-F57 PolarHBondContact O-N 2.8Å |
| 55 | S | 80.9 | Confident | 76.3 | Confident | 52 Ų | 52 | 126.4 Ų | 126.4 | 36% | 0.364 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.3 | -32.6 | 177.7 | 86.2 | 0 | 0 | 0 | 0 | 112.4 | E51 S52 D53 K59 | E51-S55 WeakPolarHBondContact O-CB 3.32Å; E51-S55 PolarHBondContact O-N 3.21Å; S52-S55 PolarHBondContact O-N 3.45Å; S52-S55 PolarHBondContact O-OG 3.44Å; D53-S55 VanDerWaalsContact C-N 3.29Å; D53-S55 PolarHBondContact O-N 3.43Å; S55-K59 WeakPolarHBondContact O-CD 3.32Å; S55-K59 VanDerWaalsContact O-CG 3.3Å; S55-K59 WeakPolarHBondContact O-CG 3.28Å |
| 56 | N | 79.4 | Confident | 77.2 | Confident | 86 Ų | 86 | 125.9 Ų | 125.9 | 46% | 0.46 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -81.2 | -25 | 179.9 | -71.5 | -40.1 | 0 | 0 | 0 | 112.8 | S52 D53 A54 L58 K59 R60 | S52-N56 PolarHBondContact O-N 2.95Å; S52-N56 PolarHBondContact O-ND2 3.47Å; S52-N56 VanDerWaalsContact O-ND2 3.13Å; D53-N56 PolarHBondContact O-N 3.15Å; D53-N56 VanDerWaalsContact O-N 3.13Å; A54-N56 VanDerWaalsContact C-N 3.25Å; A54-N56 PolarHBondContact O-N 3.4Å; N56-L58 PolarHBondContact O-N 2.75Å; N56-K59 PolarHBondContact O-N 3.29Å; N56-R60 WeakPolarHBondContact O-CB 3.42Å; N56-R60 PolarHBondContact O-N 2.82Å |
| 57 | F | 78.4 | Confident | 78 | Confident | 104 Ų | 104 | 120.8 Ų | 120.8 | 46% | 0.456 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -58.1 | -46.3 | 179.3 | -175.6 | -100.1 | 0 | 0 | 0 | 112.4 | D53 A54 | D53-F57 PolarHBondContact O-N 3.37Å; D53-F57 VanDerWaalsContact O-N 3.1Å; A54-F57 WeakPolarHBondContact O-CB 3.45Å; A54-F57 PolarHBondContact O-N 2.8Å |
| 58 | L | 73 | Confident | 78.7 | Confident | 128 Ų | 128 | 116.7 Ų | 116.7 | 67% | 0.67 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -74.9 | -37.4 | 177.1 | -63.4 | 178.7 | 0 | 0 | 0 | 112 | N56 R60 R61 G62 | N56-L58 PolarHBondContact O-N 2.75Å; L58-R60 VanDerWaalsContact C-N 3.33Å; L58-R60 PolarHBondContact O-N 2.92Å; L58-R61 PolarHBondContact O-N 3.13Å; L58-G62 PolarHBondContact O-N 2.8Å |
| 59 | K | 75.1 | Confident | 79.4 | Confident | 140 Ų | 140 | 119.1 Ų | 119.1 | 61% | 0.609 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -60.8 | -41.1 | 177.2 | -71.2 | 172.2 | -174 | 167 | 0 | 112.1 | S55 N56 R61 G62 | S55-K59 WeakPolarHBondContact O-CD 3.32Å; S55-K59 VanDerWaalsContact O-CG 3.3Å; S55-K59 WeakPolarHBondContact O-CG 3.28Å; N56-K59 PolarHBondContact O-N 3.29Å; K59-R61 VanDerWaalsContact C-N 3.28Å; K59-R61 PolarHBondContact O-N 3.37Å; K59-G62 PolarHBondContact O-N 2.98Å |
| 60 | R | 69.7 | Low | 79.9 | Confident | 221 Ų | 221 | 119.7 Ų | 119.7 | 83% | 0.834 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.7 | -32.5 | 178.4 | -167.3 | 173.4 | -178.9 | 176.3 | 0.3 | 112.1 | N56 L58 G62 | N56-R60 WeakPolarHBondContact O-CB 3.42Å; N56-R60 PolarHBondContact O-N 2.82Å; L58-R60 VanDerWaalsContact C-N 3.33Å; L58-R60 PolarHBondContact O-N 2.92Å; R60-G62 VanDerWaalsContact C-N 3.35Å |
| 61 | R | 66.9 | Low | 80.4 | Confident | 176 Ų | 176 | 117.4 Ų | 117.4 | 66% | 0.664 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -74.9 | -21.6 | 175.9 | -70.2 | -175.9 | 178.2 | -123.1 | -1.3 | 113.6 | L58 K59 K63 | L58-R61 PolarHBondContact O-N 3.13Å; K59-R61 VanDerWaalsContact C-N 3.28Å; K59-R61 PolarHBondContact O-N 3.37Å; R61-K63 VanDerWaalsContact C-N 3.29Å; R61-K63 PolarHBondContact O-N 2.77Å |
| 62 | G | 69.4 | Low | 81 | Confident | 68 Ų | 68 | 111.8 Ų | 111.8 | 70% | 0.701 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.7 | -26.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L58 K59 R60 | L58-G62 PolarHBondContact O-N 2.8Å; K59-G62 PolarHBondContact O-N 2.98Å; R60-G62 VanDerWaalsContact C-N 3.35Å |
| 63 | K | 70.6 | Confident | 81.7 | Confident | 195 Ų | 195 | 112.8 Ų | 112.8 | 85% | 0.848 | 56% | 0.559 | S | S | * | * | trans | -103.9 | 72.6 | 173.5 | -72.7 | 177.4 | -179.1 | 178.3 | 0 | 109.9 | R61 S65 | R61-K63 VanDerWaalsContact C-N 3.29Å; R61-K63 PolarHBondContact O-N 2.77Å; K63-S65 PolarHBondContact O-N 2.9Å | ||
| 64 | R | 75.4 | Confident | 82.4 | Confident | 205 Ų | 205 | 112.2 Ų | 112.2 | 77% | 0.774 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 130 | 161.6 | -159.4 | 173.3 | -179.7 | 115.3 | 1.5 | 106.8 | ||
| 65 | S | 79.3 | Confident | 83 | Confident | 87 Ų | 87 | 114.8 Ų | 114.8 | 61% | 0.608 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 147.4 | 172.1 | 52.3 | 0 | 0 | 0 | 0 | 108.6 | K63 K67 | K63-S65 PolarHBondContact O-N 2.9Å; S65-K67 PolarHBondContact O-N 2.87Å |
| 66 | P | 83.3 | Confident | 83.8 | Confident | 122 Ų | 122 | 116.2 Ų | 116.2 | 79% | 0.792 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 136.5 | 166.2 | -25.2 | 34.1 | 0 | 0 | 0 | 108.6 | S68 | P66-S68 PolarHBondContact O-N 3.19Š|
| 67 | K | 85.2 | Confident | 84.6 | Confident | 80 Ų | 80 | 120.6 Ų | 120.6 | 35% | 0.348 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 132.4 | -177.7 | -158.6 | 168.1 | -151.4 | 138.7 | 0 | 109.7 | S65 E71 V72 E75 | S65-K67 PolarHBondContact O-N 2.87Å; K67-E71 HydrophobicContact CD-CB 4.12Å; K67-E71 HydrophobicContact CG-CB 3.6Å; K67-E71 HydrophobicContact CG-CG 4.49Å; K67-E71 WeakPolarHBondContact CG-OE2 3.48Å; K67-V72 HydrophobicContact CB-CG2 3.88Å; K67-V72 HydrophobicContact CD-CG2 3.71Å; K67-V72 HydrophobicContact CG-CG2 3.8Å; K67-E75 WeakPolarHBondContact CE-OE1 3.44Å; K67-E75 WeakPolarHBondContact CE-OE2 3.38Å; K67-E75 IonicContact NZ-OE1 2.53Å; K67-E75 PolarHBondContact NZ-OE1 2.97Å; K67-E75 IonicContact NZ-OE2 2.63Å; K67-E75 PolarHBondContact NZ-OE2 2.96Å |
| 68 | S | 91.7 | Very high | 85.5 | Confident | 49 Ų | 49 | 120.6 Ų | 120.6 | 34% | 0.343 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -64 | 150.9 | 175.2 | 66.8 | 0 | 0 | 0 | 0 | 110 | P66 D70 E71 V72 | P66-S68 PolarHBondContact O-N 3.19Å; S68-D70 PolarHBondContact O-N 3.18Å; S68-E71 WeakPolarHBondContact CB-OE1 3.43Å; S68-E71 WeakPolarHBondContact O-CB 3.33Å; S68-E71 PolarHBondContact O-N 3.2Å; S68-E71 WeakPolarHBondContact OG-CB 3.28Å; S68-E71 WeakPolarHBondContact OG-CG 3.46Å; S68-E71 PolarHBondContact OG-N 2.82Å; S68-E71 PolarHBondContact OG-OE1 2.83Å; S68-V72 PolarHBondContact O-N 3.34Å; S68-V72 VanDerWaalsContact O-N 3.08Å |
| 69 | R | 93.6 | Very high | 86.6 | Confident | 204 Ų | 204 | 122 Ų | 122 | 77% | 0.77 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.9 | -34.9 | -179 | -172.4 | 150.5 | 96 | 133.5 | -2.2 | 112 | V72 N73 | R69-V72 PolarHBondContact O-N 2.71Å; R69-N73 WeakPolarHBondContact O-CB 3.44Å; R69-N73 PolarHBondContact O-N 2.81Å; R69-N73 PolarHBondContact O-ND2 3.32Å |
| 70 | D | 94.5 | Very high | 87.7 | Confident | 120 Ų | 120 | 121 Ų | 121 | 64% | 0.642 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.4 | -41.3 | 178.1 | -62.9 | -25.5 | 0 | 0 | 0 | 111.8 | S68 V72 N73 V74 | S68-D70 PolarHBondContact O-N 3.18Å; D70-V72 VanDerWaalsContact C-N 3.35Å; D70-V72 PolarHBondContact O-N 3.36Å; D70-N73 PolarHBondContact O-N 3.03Å; D70-V74 VanDerWaalsContact O-CG2 3.3Å; D70-V74 WeakPolarHBondContact O-CG2 3.43Å; D70-V74 PolarHBondContact O-N 2.84Å |
| 71 | E | 93.8 | Very high | 89.1 | Confident | 82 Ų | 82 | 117.9 Ų | 117.9 | 38% | 0.383 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -58.8 | -44.8 | 172 | -80.2 | 167.4 | -115.8 | 0 | 0 | 111.8 | K67 S68 N73 V74 E75 | K67-E71 HydrophobicContact CD-CB 4.12Å; K67-E71 HydrophobicContact CG-CB 3.6Å; K67-E71 HydrophobicContact CG-CG 4.49Å; K67-E71 WeakPolarHBondContact CG-OE2 3.48Å; S68-E71 WeakPolarHBondContact CB-OE1 3.43Å; S68-E71 WeakPolarHBondContact O-CB 3.33Å; S68-E71 PolarHBondContact O-N 3.2Å; S68-E71 WeakPolarHBondContact OG-CB 3.28Å; S68-E71 WeakPolarHBondContact OG-CG 3.46Å; S68-E71 PolarHBondContact OG-N 2.82Å; S68-E71 PolarHBondContact OG-OE1 2.83Å; E71-N73 VanDerWaalsContact C-N 3.32Å; E71-N73 PolarHBondContact O-N 3.4Å; E71-V74 PolarHBondContact O-N 2.8Å; E71-E75 WeakPolarHBondContact O-CG 3.34Å; E71-E75 PolarHBondContact O-N 3.47Å |
| 72 | V | 94.8 | Very high | 90.6 | Very high | 54 Ų | 54 | 114.1 Ų | 114.1 | 33% | 0.327 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.9 | -43 | 176.1 | 176 | 0 | 0 | 0 | 0 | 111 | K67 S68 R69 D70 E75 N76 | K67-V72 HydrophobicContact CB-CG2 3.88Å; K67-V72 HydrophobicContact CD-CG2 3.71Å; K67-V72 HydrophobicContact CG-CG2 3.8Å; S68-V72 PolarHBondContact O-N 3.34Å; S68-V72 VanDerWaalsContact O-N 3.08Å; R69-V72 PolarHBondContact O-N 2.71Å; D70-V72 VanDerWaalsContact C-N 3.35Å; D70-V72 PolarHBondContact O-N 3.36Å; V72-E75 PolarHBondContact O-N 3.23Å; V72-N76 WeakPolarHBondContact O-CB 3.28Å; V72-N76 VanDerWaalsContact O-CG 3.25Å; V72-N76 PolarHBondContact O-N 2.83Å; V72-N76 PolarHBondContact O-ND2 3.16Å |
| 73 | N | 96.4 | Very high | 91.9 | Very high | 70 Ų | 70 | 112.7 Ų | 112.7 | 37% | 0.374 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 179 | -71.4 | -24 | 0 | 0 | 0 | 112.1 | R69 D70 E71 N76 R77 | R69-N73 WeakPolarHBondContact O-CB 3.44Å; R69-N73 PolarHBondContact O-N 2.81Å; R69-N73 PolarHBondContact O-ND2 3.32Å; D70-N73 PolarHBondContact O-N 3.03Å; E71-N73 VanDerWaalsContact C-N 3.32Å; E71-N73 PolarHBondContact O-N 3.4Å; N73-N76 PolarHBondContact O-N 3.25Å; N73-R77 WeakPolarHBondContact O-CG 3.03Å; N73-R77 PolarHBondContact O-N 3.03Å |
| 74 | V | 96.5 | Very high | 93.3 | Very high | 76 Ų | 76 | 108.7 Ų | 108.7 | 46% | 0.461 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 177 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | D70 E71 R77 Q78 | D70-V74 VanDerWaalsContact O-CG2 3.3Å; D70-V74 WeakPolarHBondContact O-CG2 3.43Å; D70-V74 PolarHBondContact O-N 2.84Å; E71-V74 PolarHBondContact O-N 2.8Å; V74-R77 WeakPolarHBondContact O-CB 3.39Å; V74-R77 PolarHBondContact O-N 3.02Å; V74-Q78 WeakPolarHBondContact O-CG 3.24Å; V74-Q78 PolarHBondContact O-N 3.19Å |
| 75 | E | 95 | Very high | 94.3 | Very high | 91 Ų | 91 | 104.2 Ų | 104.2 | 43% | 0.425 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 176.6 | -74.6 | -172.3 | 167.3 | 0 | 0 | 113 | K67 E71 V72 R77 Q78 K79 | K67-E75 WeakPolarHBondContact CE-OE1 3.44Å; K67-E75 WeakPolarHBondContact CE-OE2 3.38Å; K67-E75 IonicContact NZ-OE1 2.53Å; K67-E75 PolarHBondContact NZ-OE1 2.97Å; K67-E75 IonicContact NZ-OE2 2.63Å; K67-E75 PolarHBondContact NZ-OE2 2.96Å; E71-E75 WeakPolarHBondContact O-CG 3.34Å; E71-E75 PolarHBondContact O-N 3.47Å; V72-E75 PolarHBondContact O-N 3.23Å; E75-R77 VanDerWaalsContact C-N 3.28Å; E75-R77 PolarHBondContact O-N 3.39Å; E75-Q78 PolarHBondContact O-N 2.89Å; E75-Q78 VanDerWaalsContact O-N 3.16Å; E75-K79 WeakPolarHBondContact O-CB 3.29Å; E75-K79 PolarHBondContact O-N 3.36Å |
| 76 | N | 97.1 | Very high | 95.2 | Very high | 82 Ų | 82 | 106.7 Ų | 106.7 | 44% | 0.439 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 175.4 | -74.9 | -22.5 | 0 | 0 | 0 | 111.3 | V72 N73 K79 L80 | V72-N76 WeakPolarHBondContact O-CB 3.28Å; V72-N76 VanDerWaalsContact O-CG 3.25Å; V72-N76 PolarHBondContact O-N 2.83Å; V72-N76 PolarHBondContact O-ND2 3.16Å; N73-N76 PolarHBondContact O-N 3.25Å; N76-K79 PolarHBondContact O-N 3.32Å; N76-L80 VanDerWaalsContact O-CG 3.32Å; N76-L80 WeakPolarHBondContact O-CG 3.26Å; N76-L80 PolarHBondContact O-N 2.85Å |
| 77 | R | 97.1 | Very high | 96 | Very high | 179 Ų | 179 | 108.6 Ų | 108.6 | 68% | 0.675 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.3 | -42.8 | 173.7 | -72.3 | 174 | -179.8 | -172.4 | 0.2 | 112.2 | N73 V74 E75 L80 R81 | N73-R77 WeakPolarHBondContact O-CG 3.03Å; N73-R77 PolarHBondContact O-N 3.03Å; V74-R77 WeakPolarHBondContact O-CB 3.39Å; V74-R77 PolarHBondContact O-N 3.02Å; E75-R77 VanDerWaalsContact C-N 3.28Å; E75-R77 PolarHBondContact O-N 3.39Å; R77-L80 PolarHBondContact O-N 2.94Å; R77-R81 WeakPolarHBondContact O-CG 3.31Å; R77-R81 PolarHBondContact O-N 2.87Å |
| 78 | Q | 96.9 | Very high | 96.6 | Very high | 103 Ų | 103 | 108.9 Ų | 108.9 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 176.1 | -72.3 | -178.3 | -6.2 | 0 | 0 | 111.5 | V74 E75 L80 R81 V82 | V74-Q78 WeakPolarHBondContact O-CG 3.24Å; V74-Q78 PolarHBondContact O-N 3.19Å; E75-Q78 PolarHBondContact O-N 2.89Å; E75-Q78 VanDerWaalsContact O-N 3.16Å; Q78-L80 VanDerWaalsContact C-N 3.35Å; Q78-L80 PolarHBondContact O-N 2.84Å; Q78-R81 PolarHBondContact O-N 3.48Å; Q78-V82 WeakPolarHBondContact O-CG2 3.5Å; Q78-V82 PolarHBondContact O-N 2.92Å |
| 79 | K | 97.2 | Very high | 96.9 | Very high | 158 Ų | 158 | 112.5 Ų | 112.5 | 69% | 0.687 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.1 | -43.9 | 177.2 | -176.2 | 179.1 | 178.3 | -176.4 | 0 | 111.9 | E75 N76 V82 D83 | E75-K79 WeakPolarHBondContact O-CB 3.29Å; E75-K79 PolarHBondContact O-N 3.36Å; N76-K79 PolarHBondContact O-N 3.32Å; K79-V82 PolarHBondContact O-N 2.88Å; K79-D83 WeakPolarHBondContact O-CB 3.31Å; K79-D83 PolarHBondContact O-N 3.21Å |
| 80 | L | 98 | Very high | 97.1 | Very high | 119 Ų | 119 | 109.7 Ų | 109.7 | 62% | 0.623 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.7 | -44.8 | 177.1 | -73.1 | 172 | 0 | 0 | 0 | 111.7 | N76 R77 Q78 V82 D83 E84 | N76-L80 VanDerWaalsContact O-CG 3.32Å; N76-L80 WeakPolarHBondContact O-CG 3.26Å; N76-L80 PolarHBondContact O-N 2.85Å; R77-L80 PolarHBondContact O-N 2.94Å; Q78-L80 VanDerWaalsContact C-N 3.35Å; Q78-L80 PolarHBondContact O-N 2.84Å; L80-V82 PolarHBondContact O-N 3.1Å; L80-D83 PolarHBondContact O-N 3.34Å; L80-E84 WeakPolarHBondContact O-CB 3.2Å; L80-E84 PolarHBondContact O-N 3.48Å |
| 81 | R | 98.1 | Very high | 97.3 | Very high | 155 Ų | 155 | 109 Ų | 109 | 59% | 0.585 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.7 | -41.6 | 176.3 | -72.3 | -165.2 | -61.7 | -173 | 3 | 112.9 | R77 Q78 D83 E84 L85 | R77-R81 WeakPolarHBondContact O-CG 3.31Å; R77-R81 PolarHBondContact O-N 2.87Å; Q78-R81 PolarHBondContact O-N 3.48Å; R81-D83 VanDerWaalsContact C-N 3.32Å; R81-E84 PolarHBondContact O-N 2.85Å; R81-L85 WeakPolarHBondContact O-CB 3.25Å; R81-L85 VanDerWaalsContact O-CG 3.28Å; R81-L85 WeakPolarHBondContact O-CG 3.43Å; R81-L85 PolarHBondContact O-N 3.26Å |
| 82 | V | 98 | Very high | 97.6 | Very high | 98 Ų | 98 | 110.6 Ų | 110.6 | 59% | 0.594 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.6 | -37.3 | 177 | 173 | 0 | 0 | 0 | 0 | 111.1 | Q78 K79 L80 R86 | Q78-V82 WeakPolarHBondContact O-CG2 3.5Å; Q78-V82 PolarHBondContact O-N 2.92Å; K79-V82 PolarHBondContact O-N 2.88Å; L80-V82 PolarHBondContact O-N 3.1Å; V82-R86 WeakPolarHBondContact O-CB 3.45Å; V82-R86 PolarHBondContact O-N 3.49Å; V82-R86 VanDerWaalsContact O-N 3.15Å |
| 83 | D | 98.1 | Very high | 97.7 | Very high | 38 Ų | 38 | 112 Ų | 112 | 20% | 0.203 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -67.4 | -41.8 | 175.5 | -165.8 | 57.5 | 0 | 0 | 0 | 112 | K79 L80 R81 R86 R87 | K79-D83 WeakPolarHBondContact O-CB 3.31Å; K79-D83 PolarHBondContact O-N 3.21Å; L80-D83 PolarHBondContact O-N 3.34Å; R81-D83 VanDerWaalsContact C-N 3.32Å; D83-R86 PolarHBondContact O-N 3.19Å; D83-R86 IonicContact OD1-CZ 3.64Å; D83-R86 IonicContact OD1-NE 3.77Å; D83-R86 IonicContact OD1-NH2 2.71Å; D83-R86 PolarHBondContact OD1-NH2 3.25Å; D83-R87 VanDerWaalsContact O-CG 3.32Å; D83-R87 WeakPolarHBondContact O-CG 3.47Å; D83-R87 PolarHBondContact O-N 2.99Å; D83-R87 IonicContact OD2-CZ 3.21Å; D83-R87 IonicContact OD2-NE 2.9Å; D83-R87 PolarHBondContact OD2-NE 3.46Å; D83-R87 IonicContact OD2-NH2 2.77Å; D83-R87 PolarHBondContact OD2-NH2 2.86Å |
| 84 | E | 98.3 | Very high | 97.8 | Very high | 111 Ų | 111 | 114.5 Ų | 114.5 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -52.9 | 176.3 | -174 | 168 | -148.2 | 0 | 0 | 111.4 | L80 R81 R86 R87 E88 | L80-E84 WeakPolarHBondContact O-CB 3.2Å; L80-E84 PolarHBondContact O-N 3.48Å; R81-E84 PolarHBondContact O-N 2.85Å; E84-R86 PolarHBondContact O-N 2.96Å; E84-R87 WeakPolarHBondContact O-CA 3.37Å; E84-R87 WeakPolarHBondContact O-CB 3.16Å; E84-R87 PolarHBondContact O-N 3.45Å; E84-E88 WeakPolarHBondContact O-CG 3.48Å; E84-E88 PolarHBondContact O-N 2.98Å |
| 85 | L | 98.4 | Very high | 97.9 | Very high | 110 Ų | 110 | 115.6 Ų | 115.6 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -56.2 | -38.3 | 176 | -72.3 | 171.6 | 0 | 0 | 0 | 112.7 | R81 Y89 | R81-L85 WeakPolarHBondContact O-CB 3.25Å; R81-L85 VanDerWaalsContact O-CG 3.28Å; R81-L85 WeakPolarHBondContact O-CG 3.43Å; R81-L85 PolarHBondContact O-N 3.26Å; L85-Y89 WeakPolarHBondContact O-CB 3.39Å; L85-Y89 PolarHBondContact O-N 3.09Å |
| 86 | R | 98.2 | Very high | 98.1 | Very high | 139 Ų | 139 | 116.6 Ų | 116.6 | 53% | 0.525 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.3 | -37.7 | 177.5 | -178.2 | 175.2 | 61.7 | 176.6 | 0 | 111.6 | V82 D83 E84 Y90 | V82-R86 WeakPolarHBondContact O-CB 3.45Å; V82-R86 PolarHBondContact O-N 3.49Å; V82-R86 VanDerWaalsContact O-N 3.15Å; D83-R86 PolarHBondContact O-N 3.19Å; D83-R86 IonicContact OD1-CZ 3.64Å; D83-R86 IonicContact OD1-NE 3.77Å; D83-R86 IonicContact OD1-NH2 2.71Å; D83-R86 PolarHBondContact OD1-NH2 3.25Å; E84-R86 PolarHBondContact O-N 2.96Å; R86-Y90 HydrophobicContact CG-CD2 3.89Å; R86-Y90 HydrophobicContact CG-CE2 3.5Å; R86-Y90 WeakPolarHBondContact O-CD2 3.33Å; R86-Y90 PolarHBondContact O-N 2.99Å |
| 87 | R | 98.5 | Very high | 98.1 | Very high | 162 Ų | 162 | 119.2 Ų | 119.2 | 61% | 0.611 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.7 | -47.5 | 175.4 | -72.1 | 173 | -168.7 | -150.2 | 4 | 110.9 | D83 E84 Y89 Y90 E91 | D83-R87 VanDerWaalsContact O-CG 3.32Å; D83-R87 WeakPolarHBondContact O-CG 3.47Å; D83-R87 PolarHBondContact O-N 2.99Å; D83-R87 IonicContact OD2-CZ 3.21Å; D83-R87 IonicContact OD2-NE 2.9Å; D83-R87 PolarHBondContact OD2-NE 3.46Å; D83-R87 IonicContact OD2-NH2 2.77Å; D83-R87 PolarHBondContact OD2-NH2 2.86Å; E84-R87 WeakPolarHBondContact O-CA 3.37Å; E84-R87 WeakPolarHBondContact O-CB 3.16Å; E84-R87 PolarHBondContact O-N 3.45Å; R87-Y89 VanDerWaalsContact C-N 3.3Å; R87-Y89 PolarHBondContact O-N 2.82Å; R87-Y90 PolarHBondContact O-N 3.25Å; R87-Y90 VanDerWaalsContact O-N 3.16Å; R87-E91 VanDerWaalsContact O-CB 3.28Å; R87-E91 WeakPolarHBondContact O-CB 3.46Å; R87-E91 PolarHBondContact O-N 3.39Å |
| 88 | E | 98.4 | Very high | 98.2 | Very high | 87 Ų | 87 | 115.2 Ų | 115.2 | 41% | 0.407 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -54.6 | -47.9 | 176.3 | -71.1 | 173.3 | 168.9 | 0 | 0 | 110.5 | E84 Y90 E91 E92 | E84-E88 WeakPolarHBondContact O-CG 3.48Å; E84-E88 PolarHBondContact O-N 2.98Å; E88-Y90 PolarHBondContact O-N 2.98Å; E88-E91 PolarHBondContact O-N 3.31Å; E88-E92 WeakPolarHBondContact O-CB 3.38Å; E88-E92 WeakPolarHBondContact O-CG 3.46Å; E88-E92 PolarHBondContact O-N 2.86Å |
| 89 | Y | 98.4 | Very high | 98.2 | Very high | 124 Ų | 124 | 114.8 Ų | 114.8 | 49% | 0.486 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -56.3 | -46.7 | 176.3 | 173.5 | -105.8 | 0 | 0 | 0 | 113.4 | L85 R87 Q93 | L85-Y89 WeakPolarHBondContact O-CB 3.39Å; L85-Y89 PolarHBondContact O-N 3.09Å; R87-Y89 VanDerWaalsContact C-N 3.3Å; R87-Y89 PolarHBondContact O-N 2.82Å; Y89-Q93 HydrophobicContact CD2-CG 4.49Å; Y89-Q93 HydrophobicContact CE1-CG 4.32Å; Y89-Q93 HydrophobicContact CE2-CG 4.06Å; Y89-Q93 WeakPolarHBondContact O-CB 3.44Å; Y89-Q93 VanDerWaalsContact O-CG 3.26Å; Y89-Q93 WeakPolarHBondContact O-CG 3.39Å; Y89-Q93 PolarHBondContact O-N 3.47Å |
| 90 | Y | 98.3 | Very high | 98.3 | Very high | 145 Ų | 145 | 112.7 Ų | 112.7 | 57% | 0.569 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -74 | -28.6 | 179.5 | -70.8 | -56.5 | 0 | 0 | 0 | 113.2 | R86 R87 E88 R94 | R86-Y90 HydrophobicContact CG-CD2 3.89Å; R86-Y90 HydrophobicContact CG-CE2 3.5Å; R86-Y90 WeakPolarHBondContact O-CD2 3.33Å; R86-Y90 PolarHBondContact O-N 2.99Å; R87-Y90 PolarHBondContact O-N 3.25Å; R87-Y90 VanDerWaalsContact O-N 3.16Å; E88-Y90 PolarHBondContact O-N 2.98Å; Y90-R94 WeakPolarHBondContact O-CB 3.49Å; Y90-R94 PolarHBondContact O-N 3.34Å |
| 91 | E | 98.5 | Very high | 98.3 | Very high | 107 Ų | 107 | 109.7 Ų | 109.7 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.5 | -44.3 | 174 | 177.7 | 151.4 | -126.7 | 0 | 0 | 111.3 | R87 E88 R94 N95 | R87-E91 VanDerWaalsContact O-CB 3.28Å; R87-E91 WeakPolarHBondContact O-CB 3.46Å; R87-E91 PolarHBondContact O-N 3.39Å; E88-E91 PolarHBondContact O-N 3.31Å; E91-R94 PolarHBondContact O-N 2.9Å; E91-R94 IonicContact OE1-NH2 3.23Å; E91-R94 PolarHBondContact OE1-NH2 2.84Å; E91-N95 VanDerWaalsContact O-CB 3.24Å; E91-N95 WeakPolarHBondContact O-CB 3.47Å; E91-N95 PolarHBondContact O-N 3.39Å |
| 92 | E | 98.5 | Very high | 98.3 | Very high | 114 Ų | 114 | 108.1 Ų | 108.1 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.7 | -49.6 | 171.5 | -74.2 | 177.2 | 173.6 | 0 | 0 | 111 | E88 R94 N95 E96 | E88-E92 WeakPolarHBondContact O-CB 3.38Å; E88-E92 WeakPolarHBondContact O-CG 3.46Å; E88-E92 PolarHBondContact O-N 2.86Å; E92-R94 VanDerWaalsContact C-N 3.3Å; E92-R94 PolarHBondContact O-N 3.44Å; E92-N95 PolarHBondContact O-N 3.2Å; E92-E96 WeakPolarHBondContact O-CB 3.31Å; E92-E96 VanDerWaalsContact O-CG 3.29Å; E92-E96 WeakPolarHBondContact O-CG 3.4Å; E92-E96 PolarHBondContact O-N 3Å |
| 93 | Q | 98.6 | Very high | 98.3 | Very high | 85 Ų | 85 | 108.2 Ų | 108.2 | 40% | 0.397 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.4 | -39.5 | 177.9 | -74.1 | -66 | -70.1 | 0 | 0 | 113 | Y89 E96 F97 | Y89-Q93 HydrophobicContact CD2-CG 4.49Å; Y89-Q93 HydrophobicContact CE1-CG 4.32Å; Y89-Q93 HydrophobicContact CE2-CG 4.06Å; Y89-Q93 WeakPolarHBondContact O-CB 3.44Å; Y89-Q93 VanDerWaalsContact O-CG 3.26Å; Y89-Q93 WeakPolarHBondContact O-CG 3.39Å; Y89-Q93 PolarHBondContact O-N 3.47Å; Q93-E96 PolarHBondContact NE2-OE2 2.96Å; Q93-F97 PolarHBondContact O-N 3.27Å |
| 94 | R | 98.5 | Very high | 98.3 | Very high | 121 Ų | 121 | 109.7 Ų | 109.7 | 46% | 0.457 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.8 | -46.5 | 176.1 | -176.4 | -175.8 | 66.2 | -118.3 | -3 | 110.9 | Y90 E91 E92 F97 E98 | Y90-R94 WeakPolarHBondContact O-CB 3.49Å; Y90-R94 PolarHBondContact O-N 3.34Å; E91-R94 PolarHBondContact O-N 2.9Å; E91-R94 IonicContact OE1-NH2 3.23Å; E91-R94 PolarHBondContact OE1-NH2 2.84Å; E92-R94 VanDerWaalsContact C-N 3.3Å; E92-R94 PolarHBondContact O-N 3.44Å; R94-F97 PolarHBondContact O-N 3.47Å; R94-E98 WeakPolarHBondContact CD-OE1 3.35Å; R94-E98 HydrophobicContact CG-CG 4.34Å; R94-E98 WeakPolarHBondContact CG-OE1 3.42Å; R94-E98 IonicContact NE-OE1 2.87Å; R94-E98 WeakPolarHBondContact O-CB 3.3Å; R94-E98 WeakPolarHBondContact O-CG 3.45Å; R94-E98 PolarHBondContact O-N 3.37Å |
| 95 | N | 98.4 | Very high | 98.3 | Very high | 99 Ų | 99 | 108.8 Ų | 108.8 | 53% | 0.529 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.1 | -40.2 | -179.4 | -172.1 | 54.2 | 0 | 0 | 0 | 111.8 | E91 E92 F97 E98 N99 | E91-N95 VanDerWaalsContact O-CB 3.24Å; E91-N95 WeakPolarHBondContact O-CB 3.47Å; E91-N95 PolarHBondContact O-N 3.39Å; E92-N95 PolarHBondContact O-N 3.2Å; N95-F97 VanDerWaalsContact C-N 3.34Å; N95-F97 PolarHBondContact O-N 3.31Å; N95-E98 PolarHBondContact O-N 2.96Å; N95-N99 WeakPolarHBondContact O-CB 3.16Å; N95-N99 PolarHBondContact O-N 3.48Å |
| 96 | E | 98.4 | Very high | 98.2 | Very high | 112 Ų | 112 | 108.2 Ų | 108.2 | 52% | 0.523 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 172.6 | -76 | 174.3 | -178.5 | 0 | 0 | 111.5 | E92 Q93 F100 | E92-E96 WeakPolarHBondContact O-CB 3.31Å; E92-E96 VanDerWaalsContact O-CG 3.29Å; E92-E96 WeakPolarHBondContact O-CG 3.4Å; E92-E96 PolarHBondContact O-N 3Å; Q93-E96 PolarHBondContact NE2-OE2 2.96Å; E96-F100 WeakPolarHBondContact O-CB 3.36Å; E96-F100 PolarHBondContact O-N 3.35Å |
| 97 | F | 98.2 | Very high | 98.2 | Very high | 138 Ų | 138 | 105.3 Ų | 105.3 | 61% | 0.605 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.7 | -43.8 | 178.7 | -179.6 | -98.3 | 0 | 0 | 0 | 112.7 | Q93 R94 N95 F100 V101 | Q93-F97 PolarHBondContact O-N 3.27Å; R94-F97 PolarHBondContact O-N 3.47Å; N95-F97 VanDerWaalsContact C-N 3.34Å; N95-F97 PolarHBondContact O-N 3.31Å; F97-F100 PolarHBondContact O-N 2.89Å; F97-V101 HydrophobicContact CD1-CG2 4.32Å; F97-V101 HydrophobicContact CE1-CG2 3.86Å; F97-V101 HydrophobicContact CE2-CG2 4.17Å; F97-V101 HydrophobicContact CZ-CG2 3.77Å; F97-V101 WeakPolarHBondContact O-CG2 3.29Å; F97-V101 PolarHBondContact O-N 3.21Å |
| 98 | E | 98.1 | Very high | 98.1 | Very high | 94 Ų | 94 | 103.1 Ų | 103.1 | 44% | 0.439 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 175.9 | -75.8 | 172.5 | 179.7 | 0 | 0 | 110.5 | R94 N95 F100 V101 E102 | R94-E98 WeakPolarHBondContact CD-OE1 3.35Å; R94-E98 HydrophobicContact CG-CG 4.34Å; R94-E98 WeakPolarHBondContact CG-OE1 3.42Å; R94-E98 IonicContact NE-OE1 2.87Å; R94-E98 WeakPolarHBondContact O-CB 3.3Å; R94-E98 WeakPolarHBondContact O-CG 3.45Å; R94-E98 PolarHBondContact O-N 3.37Å; N95-E98 PolarHBondContact O-N 2.96Å; E98-F100 PolarHBondContact O-N 3.39Å; E98-V101 PolarHBondContact O-N 2.92Å; E98-E102 WeakPolarHBondContact O-CG 3.44Å; E98-E102 PolarHBondContact O-N 3.44Å |
| 99 | N | 98.2 | Very high | 98 | Very high | 95 Ų | 95 | 105.6 Ų | 105.6 | 51% | 0.508 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 177.2 | -167.2 | 25.3 | 0 | 0 | 0 | 112.1 | N95 V101 E102 E103 | N95-N99 WeakPolarHBondContact O-CB 3.16Å; N95-N99 PolarHBondContact O-N 3.48Å; N99-V101 PolarHBondContact O-N 2.88Å; N99-E102 PolarHBondContact O-N 2.85Å; N99-E103 VanDerWaalsContact O-CB 3.29Å; N99-E103 WeakPolarHBondContact O-CB 3.21Å; N99-E103 PolarHBondContact O-N 2.87Å |
| 100 | F | 98.3 | Very high | 98 | Very high | 113 Ų | 113 | 104.8 Ų | 104.8 | 50% | 0.496 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 175.1 | 172.5 | -103 | 0 | 0 | 0 | 112.5 | E96 F97 E98 Q104 | E96-F100 WeakPolarHBondContact O-CB 3.36Å; E96-F100 PolarHBondContact O-N 3.35Å; F97-F100 PolarHBondContact O-N 2.89Å; E98-F100 PolarHBondContact O-N 3.39Å; F100-Q104 HydrophobicContact CD1-CG 4.5Å; F100-Q104 HydrophobicContact CD2-CG 4.26Å; F100-Q104 HydrophobicContact CE1-CG 4.04Å; F100-Q104 HydrophobicContact CE2-CG 3.78Å; F100-Q104 HydrophobicContact CZ-CG 3.65Å; F100-Q104 WeakPolarHBondContact O-CB 2.83Å; F100-Q104 VanDerWaalsContact O-CG 3.3Å; F100-Q104 WeakPolarHBondContact O-CG 3.48Å; F100-Q104 PolarHBondContact O-N 2.89Å |
| 101 | V | 98.2 | Very high | 97.9 | Very high | 56 Ų | 56 | 104.7 Ų | 104.7 | 34% | 0.339 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.9 | -41 | 178.5 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | F97 E98 N99 N105 | F97-V101 HydrophobicContact CD1-CG2 4.32Å; F97-V101 HydrophobicContact CE1-CG2 3.86Å; F97-V101 HydrophobicContact CE2-CG2 4.17Å; F97-V101 HydrophobicContact CZ-CG2 3.77Å; F97-V101 WeakPolarHBondContact O-CG2 3.29Å; F97-V101 PolarHBondContact O-N 3.21Å; E98-V101 PolarHBondContact O-N 2.92Å; N99-V101 PolarHBondContact O-N 2.88Å; V101-N105 VanDerWaalsContact O-CG 3.26Å; V101-N105 PolarHBondContact O-N 2.65Å; V101-N105 VanDerWaalsContact O-N 3.07Å; V101-N105 PolarHBondContact O-ND2 2.84Å; V101-N105 VanDerWaalsContact O-ND2 3.13Å |
| 102 | E | 98 | Very high | 97.7 | Very high | 122 Ų | 122 | 102.9 Ų | 102.9 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.9 | -49.4 | 173.9 | -74.2 | -172.4 | 172.2 | 0 | 0 | 111.2 | E98 N99 Q104 N105 D106 | E98-E102 WeakPolarHBondContact O-CG 3.44Å; E98-E102 PolarHBondContact O-N 3.44Å; N99-E102 PolarHBondContact O-N 2.85Å; E102-Q104 VanDerWaalsContact C-N 3.33Å; E102-Q104 PolarHBondContact O-N 3.22Å; E102-N105 PolarHBondContact O-N 3.13Å; E102-N105 VanDerWaalsContact O-N 3.09Å; E102-D106 WeakPolarHBondContact O-CB 3.41Å; E102-D106 PolarHBondContact O-N 3.07Å |
| 103 | E | 98.1 | Very high | 97.5 | Very high | 100 Ų | 100 | 103.1 Ų | 103.1 | 47% | 0.467 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.8 | -42.4 | 177.7 | -172.7 | 173.5 | -153.3 | 0 | 0 | 111.7 | N99 N105 D106 E107 | N99-E103 VanDerWaalsContact O-CB 3.29Å; N99-E103 WeakPolarHBondContact O-CB 3.21Å; N99-E103 PolarHBondContact O-N 2.87Å; E103-N105 PolarHBondContact O-N 2.81Å; E103-D106 PolarHBondContact O-N 3.2Å; E103-E107 HydrophobicContact CG-CG 4.39Å; E103-E107 VanDerWaalsContact O-CB 3.25Å; E103-E107 WeakPolarHBondContact O-CB 3.26Å; E103-E107 WeakPolarHBondContact O-CG 3.37Å; E103-E107 PolarHBondContact O-N 2.94Å |
| 104 | Q | 98.2 | Very high | 97.3 | Very high | 70 Ų | 70 | 104 Ų | 104 | 33% | 0.327 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 176 | -74.5 | -57.2 | -74.7 | 0 | 0 | 113.4 | F100 E102 E107 Q108 | F100-Q104 HydrophobicContact CD1-CG 4.5Å; F100-Q104 HydrophobicContact CD2-CG 4.26Å; F100-Q104 HydrophobicContact CE1-CG 4.04Å; F100-Q104 HydrophobicContact CE2-CG 3.78Å; F100-Q104 HydrophobicContact CZ-CG 3.65Å; F100-Q104 WeakPolarHBondContact O-CB 2.83Å; F100-Q104 VanDerWaalsContact O-CG 3.3Å; F100-Q104 WeakPolarHBondContact O-CG 3.48Å; F100-Q104 PolarHBondContact O-N 2.89Å; E102-Q104 VanDerWaalsContact C-N 3.33Å; E102-Q104 PolarHBondContact O-N 3.22Å; Q104-E107 PolarHBondContact NE2-OE2 3.34Å; Q104-Q108 VanDerWaalsContact O-CB 3.26Å; Q104-Q108 WeakPolarHBondContact O-CB 3.25Å; Q104-Q108 PolarHBondContact O-N 3.47Å |
| 105 | N | 97.8 | Very high | 97.1 | Very high | 91 Ų | 91 | 101.1 Ų | 101.1 | 49% | 0.487 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.2 | -46 | 176.8 | -72.2 | -31.7 | 0 | 0 | 0 | 111 | V101 E102 E103 Q108 E109 | V101-N105 VanDerWaalsContact O-CG 3.26Å; V101-N105 PolarHBondContact O-N 2.65Å; V101-N105 VanDerWaalsContact O-N 3.07Å; V101-N105 PolarHBondContact O-ND2 2.84Å; V101-N105 VanDerWaalsContact O-ND2 3.13Å; E102-N105 PolarHBondContact O-N 3.13Å; E102-N105 VanDerWaalsContact O-N 3.09Å; E103-N105 PolarHBondContact O-N 2.81Å; N105-Q108 PolarHBondContact O-N 3.04Å; N105-E109 WeakPolarHBondContact O-CB 3.22Å; N105-E109 PolarHBondContact O-N 2.93Å |
| 106 | D | 97.6 | Very high | 96.7 | Very high | 98 Ų | 98 | 99.3 Ų | 99.3 | 52% | 0.524 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.2 | -47.1 | 178.6 | -74.2 | -4.9 | 0 | 0 | 0 | 110.9 | E102 E103 Q108 E109 E110 | E102-D106 WeakPolarHBondContact O-CB 3.41Å; E102-D106 PolarHBondContact O-N 3.07Å; E103-D106 PolarHBondContact O-N 3.2Å; D106-Q108 VanDerWaalsContact C-N 3.29Å; D106-Q108 PolarHBondContact O-N 3.11Å; D106-E109 PolarHBondContact O-N 3.45Å; D106-E110 WeakPolarHBondContact O-CB 3.31Å; D106-E110 WeakPolarHBondContact O-CG 3.24Å; D106-E110 PolarHBondContact O-N 2.9Å |
| 107 | E | 97.5 | Very high | 96.1 | Very high | 78 Ų | 78 | 97.3 Ų | 97.3 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58 | -41.5 | 173.9 | -77.9 | -178.2 | 172.8 | 0 | 0 | 111.6 | E103 Q104 R111 | E103-E107 HydrophobicContact CG-CG 4.39Å; E103-E107 VanDerWaalsContact O-CB 3.25Å; E103-E107 WeakPolarHBondContact O-CB 3.26Å; E103-E107 WeakPolarHBondContact O-CG 3.37Å; E103-E107 PolarHBondContact O-N 2.94Å; Q104-E107 PolarHBondContact NE2-OE2 3.34Å; E107-R111 WeakPolarHBondContact O-CB 3.42Å; E107-R111 WeakPolarHBondContact O-CG 3.47Å; E107-R111 PolarHBondContact O-N 3.01Å |
| 108 | Q | 97.1 | Very high | 95.8 | Very high | 117 Ų | 117 | 96.6 Ų | 96.6 | 55% | 0.547 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.5 | -42.9 | 177.5 | -178.9 | 172.9 | -0.7 | 0 | 0 | 111.9 | Q104 N105 D106 S112 | Q104-Q108 VanDerWaalsContact O-CB 3.26Å; Q104-Q108 WeakPolarHBondContact O-CB 3.25Å; Q104-Q108 PolarHBondContact O-N 3.47Å; N105-Q108 PolarHBondContact O-N 3.04Å; D106-Q108 VanDerWaalsContact C-N 3.29Å; D106-Q108 PolarHBondContact O-N 3.11Å; Q108-S112 WeakPolarHBondContact O-CB 3.39Å; Q108-S112 PolarHBondContact O-N 3.42Å |
| 109 | E | 96.6 | Very high | 95.4 | Very high | 138 Ų | 138 | 100 Ų | 100 | 65% | 0.645 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.7 | -44.4 | 176.8 | -175.6 | 170 | 176.3 | 0 | 0 | 111 | N105 D106 S112 R113 | N105-E109 WeakPolarHBondContact O-CB 3.22Å; N105-E109 PolarHBondContact O-N 2.93Å; D106-E109 PolarHBondContact O-N 3.45Å; E109-S112 WeakPolarHBondContact O-CB 3.34Å; E109-S112 PolarHBondContact O-N 2.96Å; E109-R113 VanDerWaalsContact O-CB 3.3Å; E109-R113 WeakPolarHBondContact O-CB 3.44Å; E109-R113 PolarHBondContact O-N 3.11Å |
| 110 | E | 97.1 | Very high | 94.8 | Very high | 108 Ų | 108 | 101.2 Ų | 101.2 | 51% | 0.505 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.5 | -49.1 | 176.2 | -74.5 | -161.5 | 156.4 | 0 | 0 | 111.8 | D106 S112 R113 E114 | D106-E110 WeakPolarHBondContact O-CB 3.31Å; D106-E110 WeakPolarHBondContact O-CG 3.24Å; D106-E110 PolarHBondContact O-N 2.9Å; E110-S112 VanDerWaalsContact C-N 3.25Å; E110-S112 PolarHBondContact O-N 3.45Å; E110-R113 WeakPolarHBondContact O-CB 3.5Å; E110-R113 PolarHBondContact O-N 2.9Å; E110-R113 VanDerWaalsContact O-N 3.15Å; E110-E114 WeakPolarHBondContact O-CB 3.22Å; E110-E114 WeakPolarHBondContact O-CG 3.47Å; E110-E114 PolarHBondContact O-N 3.37Å |
| 111 | R | 96.6 | Very high | 94.1 | Very high | 142 Ų | 142 | 101.9 Ų | 101.9 | 54% | 0.536 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.9 | -40.6 | 175.2 | -73.8 | -177.3 | -42.9 | -151.1 | 0.9 | 111.9 | E107 A115 | E107-R111 WeakPolarHBondContact O-CB 3.42Å; E107-R111 WeakPolarHBondContact O-CG 3.47Å; E107-R111 PolarHBondContact O-N 3.01Å; R111-A115 VanDerWaalsContact O-CB 3.26Å; R111-A115 WeakPolarHBondContact O-CB 3.41Å; R111-A115 PolarHBondContact O-N 3.47Å |
| 112 | S | 94.7 | Very high | 93.6 | Very high | 70 Ų | 70 | 108.9 Ų | 108.9 | 49% | 0.49 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -48.1 | 177.2 | -170.9 | 0 | 0 | 0 | 0 | 110.5 | Q108 E109 E110 E114 A115 V116 | Q108-S112 WeakPolarHBondContact O-CB 3.39Å; Q108-S112 PolarHBondContact O-N 3.42Å; E109-S112 WeakPolarHBondContact O-CB 3.34Å; E109-S112 PolarHBondContact O-N 2.96Å; E110-S112 VanDerWaalsContact C-N 3.25Å; E110-S112 PolarHBondContact O-N 3.45Å; S112-E114 PolarHBondContact O-N 3.15Å; S112-A115 PolarHBondContact O-N 2.81Å; S112-V116 VanDerWaalsContact O-CG2 3.25Å; S112-V116 WeakPolarHBondContact O-CG2 3.35Å; S112-V116 PolarHBondContact O-N 3.3Å |
| 113 | R | 93.8 | Very high | 92.8 | Very high | 118 Ų | 118 | 106.8 Ų | 106.8 | 45% | 0.445 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.3 | -48.4 | 178.4 | -174.8 | 176.4 | 69 | 82.5 | -2.2 | 111.3 | E109 E110 V116 E117 | E109-R113 VanDerWaalsContact O-CB 3.3Å; E109-R113 WeakPolarHBondContact O-CB 3.44Å; E109-R113 PolarHBondContact O-N 3.11Å; E110-R113 WeakPolarHBondContact O-CB 3.5Å; E110-R113 PolarHBondContact O-N 2.9Å; E110-R113 VanDerWaalsContact O-N 3.15Å; R113-V116 PolarHBondContact O-N 3.45Å; R113-E117 WeakPolarHBondContact CG-OE1 3.4Å; R113-E117 IonicContact CZ-OE1 3.93Å; R113-E117 IonicContact NH1-OE1 3.57Å; R113-E117 PolarHBondContact NH1-OE1 2.89Å; R113-E117 IonicContact NH1-OE2 3.91Å; R113-E117 WeakPolarHBondContact O-CB 3.43Å; R113-E117 WeakPolarHBondContact O-CG 3.2Å; R113-E117 PolarHBondContact O-N 2.81Å |
| 114 | E | 94.5 | Very high | 91.8 | Very high | 104 Ų | 104 | 109.4 Ų | 109.4 | 49% | 0.486 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.4 | -48.4 | 176.2 | -73.2 | -176.5 | 170.1 | 0 | 0 | 111.5 | E110 S112 V116 E117 Q118 | E110-E114 WeakPolarHBondContact O-CB 3.22Å; E110-E114 WeakPolarHBondContact O-CG 3.47Å; E110-E114 PolarHBondContact O-N 3.37Å; S112-E114 PolarHBondContact O-N 3.15Å; E114-V116 VanDerWaalsContact C-N 3.3Å; E114-V116 PolarHBondContact O-N 3.27Å; E114-E117 CarbonylContact O-C 3.45Å; E114-E117 PolarHBondContact O-N 2.78Å; E114-E117 VanDerWaalsContact O-N 3.14Å; E114-Q118 WeakPolarHBondContact O-CB 3.3Å; E114-Q118 WeakPolarHBondContact O-CG 3.49Å; E114-Q118 PolarHBondContact O-N 2.8Å |
| 115 | A | 93.5 | Very high | 90.9 | Very high | 61 Ų | 61 | 112 Ų | 112 | 50% | 0.504 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59 | -41.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R111 S112 Q118 W119 | R111-A115 VanDerWaalsContact O-CB 3.26Å; R111-A115 WeakPolarHBondContact O-CB 3.41Å; R111-A115 PolarHBondContact O-N 3.47Å; S112-A115 PolarHBondContact O-N 2.81Å; A115-Q118 PolarHBondContact O-N 2.93Å; A115-W119 WeakPolarHBondContact O-CB 3.33Å; A115-W119 PolarHBondContact O-N 2.93Å |
| 116 | V | 89.9 | Confident | 89.9 | Confident | 60 Ų | 60 | 110 Ų | 110 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.8 | -38.7 | 177.1 | -174.6 | 0 | 0 | 0 | 0 | 110.9 | S112 R113 E114 R120 | S112-V116 VanDerWaalsContact O-CG2 3.25Å; S112-V116 WeakPolarHBondContact O-CG2 3.35Å; S112-V116 PolarHBondContact O-N 3.3Å; R113-V116 PolarHBondContact O-N 3.45Å; E114-V116 VanDerWaalsContact C-N 3.3Å; E114-V116 PolarHBondContact O-N 3.27Å; V116-R120 VanDerWaalsContact CG1-NH2 3.26Å; V116-R120 WeakPolarHBondContact O-CB 3.25Å; V116-R120 VanDerWaalsContact O-CG 3.25Å; V116-R120 WeakPolarHBondContact O-CG 3.32Å; V116-R120 PolarHBondContact O-N 2.94Å; V116-R120 PolarHBondContact O-NE 2.98Å |
| 117 | E | 86.8 | Confident | 88.8 | Confident | 70 Ų | 70 | 112.3 Ų | 112.3 | 33% | 0.327 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 173.5 | -75.4 | 174.7 | -163.5 | 0 | 0 | 112.6 | R113 E114 R120 Q121 | R113-E117 WeakPolarHBondContact CG-OE1 3.4Å; R113-E117 IonicContact CZ-OE1 3.93Å; R113-E117 IonicContact NH1-OE1 3.57Å; R113-E117 PolarHBondContact NH1-OE1 2.89Å; R113-E117 IonicContact NH1-OE2 3.91Å; R113-E117 WeakPolarHBondContact O-CB 3.43Å; R113-E117 WeakPolarHBondContact O-CG 3.2Å; R113-E117 PolarHBondContact O-N 2.81Å; E114-E117 CarbonylContact O-C 3.45Å; E114-E117 PolarHBondContact O-N 2.78Å; E114-E117 VanDerWaalsContact O-N 3.14Å; E117-R120 PolarHBondContact O-N 3.14Å; E117-Q121 WeakPolarHBondContact O-CG 3.46Å; E117-Q121 PolarHBondContact O-N 3.27Å |
| 118 | Q | 91.3 | Very high | 87.3 | Confident | 123 Ų | 123 | 115.8 Ų | 115.8 | 58% | 0.575 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.5 | -48.3 | 176.4 | -70 | -67.5 | -21.4 | 0 | 0 | 111.6 | E114 A115 R120 Q121 W122 | E114-Q118 WeakPolarHBondContact O-CB 3.3Å; E114-Q118 WeakPolarHBondContact O-CG 3.49Å; E114-Q118 PolarHBondContact O-N 2.8Å; A115-Q118 PolarHBondContact O-N 2.93Å; Q118-R120 VanDerWaalsContact C-N 3.26Å; Q118-R120 PolarHBondContact O-N 3.02Å; Q118-Q121 PolarHBondContact O-N 3.33Å; Q118-W122 PolarHBondContact O-N 2.76Å |
| 119 | W | 90.3 | Very high | 85.9 | Confident | 165 Ų | 165 | 116 Ų | 116 | 63% | 0.625 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60 | -39.2 | 176.4 | -170.4 | 80.2 | 0 | 0 | 0 | 111.6 | A115 W122 H123 | A115-W119 WeakPolarHBondContact O-CB 3.33Å; A115-W119 PolarHBondContact O-N 2.93Å; W119-W122 PolarHBondContact O-N 2.91Å; W119-H123 AromaticContact CD1-CD2 3.98Å; W119-H123 AromaticContact CD2-CD2 3.64Å; W119-H123 AromaticContact CE2-CD2 3.21Å; W119-H123 AromaticContact CE2-NE2 3.4Å; W119-H123 AromaticContact CH2-CD2 3.95Å; W119-H123 AromaticContact CZ2-CD2 3.4Å; W119-H123 WeakPolarHBondContact CZ2-CD2 3.26Å; W119-H123 AromaticContact CZ2-NE2 3.42Å; W119-H123 WeakPolarHBondContact CZ2-NE2 3.32Å; W119-H123 AromaticContact NE1-CD2 3.43Å; W119-H123 PolarHBondContact NE1-CD2 3.24Å; W119-H123 AromaticContact NE1-NE2 3.34Å; W119-H123 PolarHBondContact NE1-NE2 3.26Å; W119-H123 PolarHBondContact O-CD2 3.49Å; W119-H123 PolarHBondContact O-N 3.35Å; W119-H123 VanDerWaalsContact O-N 3.09Å |
| 120 | R | 84.9 | Confident | 84.4 | Confident | 122 Ų | 122 | 113.5 Ų | 113.5 | 46% | 0.46 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.6 | -42 | 175 | -80.5 | -174.5 | -77.6 | -135.2 | 3.6 | 113.2 | V116 E117 Q118 W122 H123 Y124 | V116-R120 VanDerWaalsContact CG1-NH2 3.26Å; V116-R120 WeakPolarHBondContact O-CB 3.25Å; V116-R120 VanDerWaalsContact O-CG 3.25Å; V116-R120 WeakPolarHBondContact O-CG 3.32Å; V116-R120 PolarHBondContact O-N 2.94Å; V116-R120 PolarHBondContact O-NE 2.98Å; E117-R120 PolarHBondContact O-N 3.14Å; Q118-R120 VanDerWaalsContact C-N 3.26Å; Q118-R120 PolarHBondContact O-N 3.02Å; R120-W122 VanDerWaalsContact C-N 3.32Å; R120-H123 CarbonylContact O-C 3.52Å; R120-H123 PolarHBondContact O-N 3.33Å; R120-Y124 PolarHBondContact O-N 3.34Å; R120-Y124 VanDerWaalsContact O-N 3.12Å |
| 121 | Q | 84 | Confident | 82.8 | Confident | 127 Ų | 127 | 115.3 Ų | 115.3 | 59% | 0.593 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.3 | -39.9 | 175.4 | -74.5 | 175.4 | 41.6 | 0 | 0 | 111.5 | E117 Q118 H123 Y124 | E117-Q121 WeakPolarHBondContact O-CG 3.46Å; E117-Q121 PolarHBondContact O-N 3.27Å; Q118-Q121 PolarHBondContact O-N 3.33Å; Q121-H123 VanDerWaalsContact C-N 3.34Å; Q121-H123 PolarHBondContact O-N 3.48Å; Q121-Y124 WeakPolarHBondContact O-CB 3.25Å; Q121-Y124 PolarHBondContact O-N 3.21Å |
| 122 | W | 86.4 | Confident | 81.1 | Confident | 203 Ų | 203 | 115.6 Ų | 115.6 | 77% | 0.769 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.2 | -37.4 | 178 | -166.3 | 77.5 | 0 | 0 | 0 | 112.7 | Q118 W119 R120 | Q118-W122 PolarHBondContact O-N 2.76Å; W119-W122 PolarHBondContact O-N 2.91Å; R120-W122 VanDerWaalsContact C-N 3.32Å |
| 123 | H | 82.5 | Confident | 79.5 | Confident | 78 Ų | 78 | 120.1 Ų | 120.1 | 36% | 0.361 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.2 | 16.1 | 177.1 | -77.2 | -70.1 | 0 | 0 | 0 | 114.6 | W119 R120 Q121 D125 | W119-H123 AromaticContact CD1-CD2 3.98Å; W119-H123 AromaticContact CD2-CD2 3.64Å; W119-H123 AromaticContact CE2-CD2 3.21Å; W119-H123 AromaticContact CE2-NE2 3.4Å; W119-H123 AromaticContact CH2-CD2 3.95Å; W119-H123 AromaticContact CZ2-CD2 3.4Å; W119-H123 WeakPolarHBondContact CZ2-CD2 3.26Å; W119-H123 AromaticContact CZ2-NE2 3.42Å; W119-H123 WeakPolarHBondContact CZ2-NE2 3.32Å; W119-H123 AromaticContact NE1-CD2 3.43Å; W119-H123 PolarHBondContact NE1-CD2 3.24Å; W119-H123 AromaticContact NE1-NE2 3.34Å; W119-H123 PolarHBondContact NE1-NE2 3.26Å; W119-H123 PolarHBondContact O-CD2 3.49Å; W119-H123 PolarHBondContact O-N 3.35Å; W119-H123 VanDerWaalsContact O-N 3.09Å; R120-H123 CarbonylContact O-C 3.52Å; R120-H123 PolarHBondContact O-N 3.33Å; Q121-H123 VanDerWaalsContact C-N 3.34Å; Q121-H123 PolarHBondContact O-N 3.48Å; H123-D125 PolarHBondContact O-N 2.97Å |
| 124 | Y | 77.2 | Confident | 77.7 | Confident | 154 Ų | 154 | 120.1 Ų | 120.1 | 60% | 0.604 | 59% | 0.587 | S | S | * | * | trans | -76.2 | 88.5 | -176.7 | -172.1 | -108.2 | 0 | 0 | 0 | 111.7 | R120 Q121 G126 | R120-Y124 PolarHBondContact O-N 3.34Å; R120-Y124 VanDerWaalsContact O-N 3.12Å; Q121-Y124 WeakPolarHBondContact O-CB 3.25Å; Q121-Y124 PolarHBondContact O-N 3.21Å; Y124-G126 VanDerWaalsContact C-N 3.26Å; Y124-G126 PolarHBondContact O-N 2.96Å | ||
| 125 | D | 79 | Confident | 75.8 | Confident | 125 Ų | 125 | 123.8 Ų | 123.8 | 67% | 0.668 | 60% | 0.596 | S | S | * | * | trans | -82.8 | 4.2 | 179.2 | -64.8 | -20 | 0 | 0 | 0 | 113.6 | H123 L127 | H123-D125 PolarHBondContact O-N 2.97Å; D125-L127 HydrophobicContact CB-CD1 4.25Å; D125-L127 PolarHBondContact O-N 3.5Å | ||
| 126 | G | 76.5 | Confident | 74.2 | Confident | 50 Ų | 50 | 128.1 Ų | 128.1 | 52% | 0.515 | 61% | 0.606 | S | S | . | * | S | Bend | trans | 70.1 | -5.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y124 | Y124-G126 VanDerWaalsContact C-N 3.26Å; Y124-G126 PolarHBondContact O-N 2.96Å |
| 127 | L | 74.4 | Confident | 72.3 | Confident | 146 Ų | 146 | 132.9 Ų | 132.9 | 76% | 0.764 | 62% | 0.624 | S | S | * | * | trans | -79.7 | -18.5 | -179.7 | -81.9 | 149.4 | 0 | 0 | 0 | 114.1 | D125 | D125-L127 HydrophobicContact CB-CD1 4.25Å; D125-L127 PolarHBondContact O-N 3.5Å | ||
| 128 | H | 66.8 | Low | 70.7 | Confident | 151 Ų | 151 | 138.9 Ų | 138.9 | 70% | 0.699 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -106.2 | 133.5 | 179.5 | -69 | -68.6 | 0 | 0 | 0 | 110.7 | S130 | H128-S130 PolarHBondContact O-N 3.39Š|
| 129 | P | 67.7 | Low | 69.7 | Low | 120 Ų | 120 | 139.7 Ų | 139.7 | 78% | 0.779 | 67% | 0.67 | S | S | * | * | trans | -58.8 | 141.3 | 176.5 | 23.2 | -30.8 | 0 | 0 | 0 | 110 | Y131 | P129-Y131 PolarHBondContact O-N 3.05Š| ||
| 130 | S | 65.1 | Low | 68.6 | Low | 86 Ų | 86 | 138.4 Ų | 138.4 | 60% | 0.601 | 67% | 0.673 | S | S | * | * | trans | -53.6 | 129.8 | 171.6 | 59.8 | 0 | 0 | 0 | 0 | 108.4 | H128 L132 | H128-S130 PolarHBondContact O-N 3.39Å; S130-L132 PolarHBondContact O-N 2.92Å | ||
| 131 | Y | 63.6 | Low | 67.7 | Low | 146 Ų | 146 | 139.3 Ų | 139.3 | 57% | 0.573 | 68% | 0.684 | S | S | * | * | trans | -49.7 | 110.3 | 176.9 | 135.1 | -93.3 | 0 | 0 | 0 | 108.8 | P129 Y133 | P129-Y131 PolarHBondContact O-N 3.05Å; Y131-Y133 AromaticContact CE1-CD2 3.68Å; Y131-Y133 HydrophobicContact CE1-CD2 3.68Å; Y131-Y133 HydrophobicContact CE1-CE2 4.49Å; Y131-Y133 HydrophobicContact CE1-CG 4.22Å; Y131-Y133 VanDerWaalsContact CZ-CA 3.43Å; Y131-Y133 AromaticContact CZ-CD2 3.55Å; Y131-Y133 AromaticContact CZ-CG 3.84Å; Y131-Y133 PolarHBondContact O-N 3.12Å; Y131-Y133 VanDerWaalsContact O-N 3.11Å; Y131-Y133 WeakPolarHBondContact OH-CD2 3.37Å; Y131-Y133 WeakPolarHBondContact OH-CE2 3.38Å; Y131-Y133 VanDerWaalsContact OH-CG 3.24Å | ||
| 132 | L | 60.8 | Low | 66.7 | Low | 149 Ų | 149 | 140 Ų | 140 | 78% | 0.78 | 69% | 0.69 | S | S | * | * | trans | -66.7 | 111.4 | 163.8 | -74.1 | 167.7 | 0 | 0 | 0 | 103.9 | S130 N134 | S130-L132 PolarHBondContact O-N 2.92Å; L132-N134 PolarHBondContact O-N 3.4Å | ||
| 133 | Y | 59.9 | Low | 65.5 | Low | 164 Ų | 164 | 136.1 Ų | 136.1 | 64% | 0.643 | 69% | 0.685 | S | S | * | * | trans | -44.8 | 106.5 | 171.9 | -158.5 | -79.2 | 0 | 0 | 0 | 107 | Y131 R135 | Y131-Y133 AromaticContact CE1-CD2 3.68Å; Y131-Y133 HydrophobicContact CE1-CD2 3.68Å; Y131-Y133 HydrophobicContact CE1-CE2 4.49Å; Y131-Y133 HydrophobicContact CE1-CG 4.22Å; Y131-Y133 VanDerWaalsContact CZ-CA 3.43Å; Y131-Y133 AromaticContact CZ-CD2 3.55Å; Y131-Y133 AromaticContact CZ-CG 3.84Å; Y131-Y133 PolarHBondContact O-N 3.12Å; Y131-Y133 VanDerWaalsContact O-N 3.11Å; Y131-Y133 WeakPolarHBondContact OH-CD2 3.37Å; Y131-Y133 WeakPolarHBondContact OH-CE2 3.38Å; Y131-Y133 VanDerWaalsContact OH-CG 3.24Å; Y133-R135 HydrophobicContact CD1-CG 3.58Å; Y133-R135 HydrophobicContact CE1-CG 4.22Å; Y133-R135 PolarHBondContact O-N 3.09Å | ||
| 134 | N | 57.3 | Low | 64.4 | Low | 119 Ų | 119 | 139.9 Ų | 139.9 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | trans | -64.7 | 76.5 | 172.9 | -84.5 | -20 | 0 | 0 | 0 | 106 | L132 H136 | L132-N134 PolarHBondContact O-N 3.4Å; N134-H136 PolarHBondContact O-CD2 3.34Å; N134-H136 PolarHBondContact O-N 3.45Å | ||
| 135 | R | 53.8 | Low | 63.4 | Low | 181 Ų | 181 | 138.9 Ų | 138.9 | 68% | 0.683 | 71% | 0.714 | S | S | * | * | trans | -67.7 | 92 | 161.2 | -65.5 | -172.6 | -161.6 | -128 | 2.1 | 103.7 | Y133 H137 | Y133-R135 HydrophobicContact CD1-CG 3.58Å; Y133-R135 HydrophobicContact CE1-CG 4.22Å; Y133-R135 PolarHBondContact O-N 3.09Å; R135-H137 WeakPolarHBondContact CB-CE1 3.42Å; R135-H137 VanDerWaalsContact CD-CE1 3.46Å; R135-H137 WeakPolarHBondContact CD-CE1 3.4Å; R135-H137 PolarHBondContact O-N 3.4Å | ||
| 136 | H | 59.3 | Low | 62.3 | Low | 151 Ų | 151 | 140 Ų | 140 | 70% | 0.699 | 72% | 0.717 | S | S | * | * | trans | -61.3 | 100 | 159 | -70.2 | -82.9 | 0 | 0 | 0 | 105.4 | N134 T138 | N134-H136 PolarHBondContact O-CD2 3.34Å; N134-H136 PolarHBondContact O-N 3.45Å; H136-T138 VanDerWaalsContact C-N 3.26Å; H136-T138 PolarHBondContact O-N 3.43Å | ||
| 137 | H | 50.6 | Low | 61.1 | Low | 161 Ų | 161 | 147.5 Ų | 147.5 | 75% | 0.745 | 73% | 0.734 | S | S | * | * | trans | -81.1 | 83.5 | 166.9 | -62.8 | -24.6 | 0 | 0 | 0 | 106.5 | R135 | R135-H137 WeakPolarHBondContact CB-CE1 3.42Å; R135-H137 VanDerWaalsContact CD-CE1 3.46Å; R135-H137 WeakPolarHBondContact CD-CE1 3.4Å; R135-H137 PolarHBondContact O-N 3.4Å | ||
| 138 | T | 53.6 | Low | 59.9 | Low | 196 Ų | 196 | 147.6 Ų | 147.6 | 100% | 1.202 | 73% | 0.731 | S | S | * | * | trans | -143.9 | 0 | 166.1 | 48.6 | 0 | 0 | 0 | 0 | 108.4 | H136 | H136-T138 VanDerWaalsContact C-N 3.26Å; H136-T138 PolarHBondContact O-N 3.43Å |
Retrieved 138 of 138 residues in 308.8 ms
(Link to these results)