| 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 | 30.6 | Very low | 32.6 | Very low | 225 Ų | 225 | 116.5 Ų | 116.5 | 100% | 1.108 | 61% | 0.611 | S | S | * | * | 0 | -25.2 | 0 | -89.2 | -179.7 | -162.8 | 0 | 0 | 112.1 | |||||
| 2 | E | 27.5 | Very low | 32.7 | Very low | 160 Ų | 160 | 110.3 Ų | 110.3 | 75% | 0.748 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -74.9 | -24.2 | 174.2 | -75.4 | 159.8 | 134.8 | 0 | 0 | 114.1 | R4 A5 | E2-R4 VanDerWaalsContact C-N 3.31Å; E2-R4 PolarHBondContact O-N 2.89Å; E2-A5 PolarHBondContact O-N 2.84Å |
| 3 | D | 29.5 | Very low | 32.9 | Very low | 124 Ų | 124 | 106.4 Ų | 106.4 | 66% | 0.663 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.9 | -23.5 | -177.9 | -59.2 | -50.5 | 0 | 0 | 0 | 115.2 | ||
| 4 | R | 32.5 | Very low | 33.2 | Very low | 207 Ų | 207 | 105.1 Ų | 105.1 | 78% | 0.781 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -80.2 | -34.7 | 173.8 | -93.2 | -178.4 | 167.9 | 165.1 | -2.9 | 111.9 | E2 I6 S7 Y8 | E2-R4 VanDerWaalsContact C-N 3.31Å; E2-R4 PolarHBondContact O-N 2.89Å; R4-I6 VanDerWaalsContact C-N 3.31Å; R4-I6 PolarHBondContact O-N 3.44Å; R4-S7 PolarHBondContact O-N 2.89Å; R4-Y8 WeakPolarHBondContact O-CD2 3.34Å; R4-Y8 PolarHBondContact O-N 3.32Å |
| 5 | A | 29.6 | Very low | 33.5 | Very low | 62 Ų | 62 | 101.6 Ų | 101.6 | 51% | 0.512 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.5 | -30 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E2 Y8 S9 | E2-A5 PolarHBondContact O-N 2.84Å; A5-Y8 PolarHBondContact O-N 3.34Å; A5-S9 PolarHBondContact O-N 2.81Å |
| 6 | I | 34 | Very low | 33.8 | Very low | 104 Ų | 104 | 104.7 Ų | 104.7 | 53% | 0.533 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -83.7 | -29.7 | -177.5 | -56.6 | 170.2 | 0 | 0 | 0 | 111.5 | R4 Y8 S9 V10 | R4-I6 VanDerWaalsContact C-N 3.31Å; R4-I6 PolarHBondContact O-N 3.44Å; I6-Y8 PolarHBondContact O-N 3.07Å; I6-S9 PolarHBondContact O-N 2.8Å; I6-S9 PolarHBondContact O-OG 3.01Å; I6-V10 PolarHBondContact O-N 3.3Å |
| 7 | S | 33.1 | Very low | 33.9 | Very low | 87 Ų | 87 | 106.2 Ų | 106.2 | 61% | 0.608 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.5 | -33 | 169 | -173.3 | 0 | 0 | 0 | 0 | 111.9 | R4 S11 | R4-S7 PolarHBondContact O-N 2.89Å; S7-S11 WeakPolarHBondContact O-CB 3.36Å; S7-S11 PolarHBondContact O-N 3.47Å |
| 8 | Y | 33.8 | Very low | 34.1 | Very low | 113 Ų | 113 | 102.6 Ų | 102.6 | 44% | 0.443 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -74.7 | -33.7 | 175.1 | -79.3 | -78.1 | 0 | 0 | 0 | 112.7 | R4 A5 I6 A12 P289 | R4-Y8 WeakPolarHBondContact O-CD2 3.34Å; R4-Y8 PolarHBondContact O-N 3.32Å; A5-Y8 PolarHBondContact O-N 3.34Å; I6-Y8 PolarHBondContact O-N 3.07Å; Y8-A12 WeakPolarHBondContact O-CB 3.47Å; Y8-A12 PolarHBondContact O-N 2.91Å; Y8-P289 HydrophobicContact CE1-CB 4Å; Y8-P289 PolarHBondContact OH-O 3.03Å |
| 9 | S | 33.3 | Very low | 34.2 | Very low | 66 Ų | 66 | 99.7 Ų | 99.7 | 46% | 0.462 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -74.1 | -35 | -177.4 | 67.4 | 0 | 0 | 0 | 0 | 113.4 | A5 I6 A12 A13 | A5-S9 PolarHBondContact O-N 2.81Å; I6-S9 PolarHBondContact O-N 2.8Å; I6-S9 PolarHBondContact O-OG 3.01Å; S9-A12 PolarHBondContact O-N 3.4Å; S9-A13 PolarHBondContact O-N 3.28Å |
| 10 | V | 35.4 | Very low | 34.3 | Very low | 80 Ų | 80 | 102.7 Ų | 102.7 | 49% | 0.485 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -75.5 | -35.7 | 175.2 | -177.3 | 0 | 0 | 0 | 0 | 111 | I6 A12 A13 C14 | I6-V10 PolarHBondContact O-N 3.3Å; V10-A12 VanDerWaalsContact C-N 3.33Å; V10-A12 PolarHBondContact O-N 2.8Å; V10-A13 PolarHBondContact O-N 3Å; V10-C14 PolarHBondContact O-N 3.17Å; V10-C14 VanDerWaalsContact O-N 3.12Å |
| 11 | S | 39.3 | Very low | 34.6 | Very low | 54 Ų | 54 | 102.5 Ų | 102.5 | 38% | 0.378 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 170.2 | -173.6 | 0 | 0 | 0 | 0 | 111.4 | S7 C14 M15 | S7-S11 WeakPolarHBondContact O-CB 3.36Å; S7-S11 PolarHBondContact O-N 3.47Å; S11-C14 PolarHBondContact O-N 3.41Å; S11-M15 WeakPolarHBondContact O-CB 3.46Å; S11-M15 WeakPolarHBondContact O-CE 3.37Å; S11-M15 VanDerWaalsContact O-CG 3.22Å; S11-M15 WeakPolarHBondContact O-CG 3.3Å; S11-M15 PolarHBondContact O-N 2.71Å; S11-M15 WeakPolarHBondContact OG-CE 3.29Å |
| 12 | A | 33.8 | Very low | 34.8 | Very low | 41 Ų | 41 | 96 Ų | 96 | 34% | 0.339 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y8 S9 V10 M15 Q16 | Y8-A12 WeakPolarHBondContact O-CB 3.47Å; Y8-A12 PolarHBondContact O-N 2.91Å; S9-A12 PolarHBondContact O-N 3.4Å; V10-A12 VanDerWaalsContact C-N 3.33Å; V10-A12 PolarHBondContact O-N 2.8Å; A12-M15 PolarHBondContact O-N 3.44Å; A12-Q16 PolarHBondContact O-N 3.32Å |
| 13 | A | 34.9 | Very low | 35.2 | Very low | 60 Ų | 60 | 92.3 Ų | 92.3 | 50% | 0.496 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.3 | -39.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S9 V10 Q16 H17 | S9-A13 PolarHBondContact O-N 3.28Å; V10-A13 PolarHBondContact O-N 3Å; A13-Q16 PolarHBondContact O-N 2.9Å; A13-H17 PolarHBondContact O-N 3.46Å |
| 14 | C | 37.4 | Very low | 35.6 | Very low | 88 Ų | 88 | 90.4 Ų | 90.4 | 60% | 0.595 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66 | -37.8 | 171.6 | -88.5 | 0 | 0 | 0 | 0 | 112.1 | V10 S11 H17 A18 | V10-C14 PolarHBondContact O-N 3.17Å; V10-C14 VanDerWaalsContact O-N 3.12Å; S11-C14 PolarHBondContact O-N 3.41Å; C14-H17 PolarHBondContact O-N 3.15Å; C14-A18 WeakPolarHBondContact O-CB 3.4Å; C14-A18 PolarHBondContact O-N 3.04Å |
| 15 | M | 38.4 | Very low | 35.8 | Very low | 53 Ų | 53 | 89.8 Ų | 89.8 | 26% | 0.261 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 174.3 | -77.9 | -171.8 | -79.5 | 0 | 0 | 112.1 | S11 A12 H17 A18 S19 L186 | S11-M15 WeakPolarHBondContact O-CB 3.46Å; S11-M15 WeakPolarHBondContact O-CE 3.37Å; S11-M15 VanDerWaalsContact O-CG 3.22Å; S11-M15 WeakPolarHBondContact O-CG 3.3Å; S11-M15 PolarHBondContact O-N 2.71Å; S11-M15 WeakPolarHBondContact OG-CE 3.29Å; A12-M15 PolarHBondContact O-N 3.44Å; M15-H17 PolarHBondContact O-N 2.95Å; M15-A18 PolarHBondContact O-N 3.15Å; M15-S19 WeakPolarHBondContact O-CB 3.43Å; M15-S19 PolarHBondContact O-N 3.41Å; M15-L186 HydrophobicContact CG-CD2 3.69Å; M15-L186 HydrophobicContact SD-CD2 3.72Å |
| 16 | Q | 36.9 | Very low | 35.9 | Very low | 151 Ų | 151 | 91.9 Ų | 91.9 | 71% | 0.706 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.4 | -39 | 175.9 | -95.2 | 165.2 | -23.2 | 0 | 0 | 113.1 | A12 A13 Y20 | A12-Q16 PolarHBondContact O-N 3.32Å; A13-Q16 PolarHBondContact O-N 2.9Å; Q16-Y20 WeakPolarHBondContact O-CB 3.31Å; Q16-Y20 PolarHBondContact O-N 3.15Å; Q16-Y20 VanDerWaalsContact O-N 3.1Å |
| 17 | H | 36 | Very low | 35.8 | Very low | 131 Ų | 131 | 94 Ų | 94 | 61% | 0.606 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72.8 | -38 | 177.8 | -155.2 | -114.2 | 0 | 0 | 0 | 112.1 | A13 C14 M15 L21 | A13-H17 PolarHBondContact O-N 3.46Å; C14-H17 PolarHBondContact O-N 3.15Å; M15-H17 PolarHBondContact O-N 2.95Å; H17-L21 WeakPolarHBondContact O-CG 3.36Å; H17-L21 PolarHBondContact O-N 2.64Å; H17-L21 VanDerWaalsContact O-N 3.16Å |
| 18 | A | 36.9 | Very low | 35.8 | Very low | 40 Ų | 40 | 99 Ų | 99 | 33% | 0.331 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.8 | -38.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | C14 M15 L21 C22 | C14-A18 WeakPolarHBondContact O-CB 3.4Å; C14-A18 PolarHBondContact O-N 3.04Å; M15-A18 PolarHBondContact O-N 3.15Å; A18-L21 PolarHBondContact O-N 3.22Å; A18-C22 WeakPolarHBondContact O-CB 3.37Å; A18-C22 PolarHBondContact O-N 3.22Å |
| 19 | S | 36.7 | Very low | 35.6 | Very low | 48 Ų | 48 | 99.8 Ų | 99.8 | 34% | 0.336 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 175 | -175.1 | 0 | 0 | 0 | 0 | 111.9 | M15 C22 T23 | M15-S19 WeakPolarHBondContact O-CB 3.43Å; M15-S19 PolarHBondContact O-N 3.41Å; S19-C22 PolarHBondContact O-N 2.79Å; S19-T23 PolarHBondContact O-N 3.28Å; S19-T23 PolarHBondContact O-OG1 3.16Å |
| 20 | Y | 35.8 | Very low | 35.6 | Very low | 159 Ų | 159 | 101.4 Ų | 101.4 | 62% | 0.624 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.9 | -41.5 | 174.1 | -161.5 | -100.2 | 0 | 0 | 0 | 112.1 | Q16 L24 | Q16-Y20 WeakPolarHBondContact O-CB 3.31Å; Q16-Y20 PolarHBondContact O-N 3.15Å; Q16-Y20 VanDerWaalsContact O-N 3.1Å; Y20-L24 HydrophobicContact CD1-CD1 3.72Å; Y20-L24 HydrophobicContact CE1-CD1 3.64Å; Y20-L24 WeakPolarHBondContact O-CG 3.5Å; Y20-L24 PolarHBondContact O-N 3.18Å; Y20-L24 VanDerWaalsContact O-N 3.16Å |
| 21 | L | 40.4 | Very low | 35.4 | Very low | 100 Ų | 100 | 105.1 Ų | 105.1 | 52% | 0.524 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.4 | -32.5 | 176.3 | -69.6 | 171.6 | 0 | 0 | 0 | 112.9 | H17 A18 R25 | H17-L21 WeakPolarHBondContact O-CG 3.36Å; H17-L21 PolarHBondContact O-N 2.64Å; H17-L21 VanDerWaalsContact O-N 3.16Å; A18-L21 PolarHBondContact O-N 3.22Å; L21-R25 PolarHBondContact O-N 2.95Å |
| 22 | C | 36.3 | Very low | 35.4 | Very low | 89 Ų | 89 | 109.6 Ų | 109.6 | 60% | 0.601 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -73.4 | -38.2 | 177.2 | -154.2 | 0 | 0 | 0 | 0 | 112 | A18 S19 R25 S26 | A18-C22 WeakPolarHBondContact O-CB 3.37Å; A18-C22 PolarHBondContact O-N 3.22Å; S19-C22 PolarHBondContact O-N 2.79Å; C22-R25 PolarHBondContact O-N 3.47Å; C22-S26 PolarHBondContact O-N 2.89Å; C22-S26 VanDerWaalsContact O-N 3.16Å |
| 23 | T | 35.6 | Very low | 35.1 | Very low | 81 Ų | 81 | 115.5 Ų | 115.5 | 50% | 0.497 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.1 | -42.4 | 174.3 | -49.3 | 0 | 0 | 0 | 0 | 111.1 | S19 R25 S26 | S19-T23 PolarHBondContact O-N 3.28Å; S19-T23 PolarHBondContact O-OG1 3.16Å; T23-R25 VanDerWaalsContact C-N 3.26Å; T23-R25 PolarHBondContact O-N 2.72Å; T23-S26 PolarHBondContact O-N 2.79Å |
| 24 | L | 36.8 | Very low | 35.1 | Very low | 84 Ų | 84 | 121.8 Ų | 121.8 | 44% | 0.44 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -67.9 | -20.6 | 176.1 | -75 | 166.4 | 0 | 0 | 0 | 114.2 | Y20 | Y20-L24 HydrophobicContact CD1-CD1 3.72Å; Y20-L24 HydrophobicContact CE1-CD1 3.64Å; Y20-L24 WeakPolarHBondContact O-CG 3.5Å; Y20-L24 PolarHBondContact O-N 3.18Å; Y20-L24 VanDerWaalsContact O-N 3.16Å |
| 25 | R | 37.1 | Very low | 34.8 | Very low | 195 Ų | 195 | 127.4 Ų | 127.4 | 74% | 0.736 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -88.8 | -23 | 177.9 | -146.4 | 175.3 | -170.5 | 179.1 | 3.6 | 112.4 | L21 C22 T23 E27 | L21-R25 PolarHBondContact O-N 2.95Å; C22-R25 PolarHBondContact O-N 3.47Å; T23-R25 VanDerWaalsContact C-N 3.26Å; T23-R25 PolarHBondContact O-N 2.72Å; R25-E27 VanDerWaalsContact C-N 3.35Å |
| 26 | S | 32.6 | Very low | 34.5 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 74% | 0.741 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -77.9 | -16.4 | 174.3 | -167.8 | 0 | 0 | 0 | 0 | 113.7 | C22 T23 | C22-S26 PolarHBondContact O-N 2.89Å; C22-S26 VanDerWaalsContact O-N 3.16Å; T23-S26 PolarHBondContact O-N 2.79Å |
| 27 | E | 31 | Very low | 34.2 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 69% | 0.692 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 7.3 | 177.6 | -69.8 | -169.4 | 145 | 0 | 0 | 114.2 | R25 P29 | R25-E27 VanDerWaalsContact C-N 3.35Å; E27-P29 VanDerWaalsContact O-CD 3.31Å; E27-P29 WeakPolarHBondContact O-CD 3.4Å |
| 28 | R | 34.3 | Very low | 34.1 | Very low | 193 Ų | 193 | 133.2 Ų | 133.2 | 73% | 0.728 | 66% | 0.664 | S | S | * | * | trans | -105 | 101.7 | 171.5 | -79.4 | -165.8 | -87.7 | 178.5 | -7.2 | 110.9 | A30 | R28-A30 PolarHBondContact O-N 2.76Š| ||
| 29 | P | 28.6 | Very low | 33.9 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 83% | 0.831 | 69% | 0.69 | S | S | * | * | trans | -68.8 | 116.5 | 163.8 | 27 | -28.9 | 0 | 0 | 0 | 108.4 | E27 | E27-P29 VanDerWaalsContact O-CD 3.31Å; E27-P29 WeakPolarHBondContact O-CD 3.4Å | ||
| 30 | A | 33.7 | Very low | 34.7 | Very low | 101 Ų | 101 | 139.8 Ų | 139.8 | 84% | 0.835 | 70% | 0.703 | S | S | * | * | trans | -84.8 | 100.7 | 157.1 | 0 | 0 | 0 | 0 | 0 | 107 | R28 | R28-A30 PolarHBondContact O-N 2.76Š| ||
| 31 | D | 31.1 | Very low | 34.7 | Very low | 157 Ų | 157 | 142 Ų | 142 | 84% | 0.84 | 72% | 0.719 | S | S | * | * | trans | -161.1 | 139.4 | 134.3 | -135.7 | -14.3 | 0 | 0 | 0 | 112.3 | ||||
| 32 | N | 38 | Very low | 34.3 | Very low | 148 Ų | 148 | 145.2 Ų | 145.2 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | trans | -92.6 | 103.8 | -178.5 | -173.8 | 28.4 | 0 | 0 | 0 | 108.1 | ||||
| 33 | M | 28.5 | Very low | 34.3 | Very low | 166 Ų | 166 | 148.3 Ų | 148.3 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | -145.2 | 117.1 | 161.3 | -89.8 | -168 | 170.3 | 0 | 0 | 109.7 | R35 | M33-R35 PolarHBondContact O-N 2.86Š| ||
| 34 | E | 35.3 | Very low | 34.2 | Very low | 192 Ų | 192 | 151.6 Ų | 151.6 | 90% | 0.897 | 74% | 0.743 | S | S | * | * | trans | -49.5 | 122.1 | 169.4 | -76 | 175.6 | 137.2 | 0 | 0 | 110.5 | ||||
| 35 | R | 31.8 | Very low | 34.1 | Very low | 206 Ų | 206 | 155.3 Ų | 155.3 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | trans | -117.1 | 104.7 | 166.4 | -71.9 | -173.1 | -173.9 | -175.4 | 2.7 | 108.9 | M33 | M33-R35 PolarHBondContact O-N 2.86Š| ||
| 36 | E | 30.9 | Very low | 33.8 | Very low | 124 Ų | 124 | 151.4 Ų | 151.4 | 58% | 0.579 | 76% | 0.757 | S | S | * | * | trans | -63 | 131.7 | 162.5 | -61.9 | -170.1 | 158.6 | 0 | 0 | 109 | F38 R43 | E36-F38 HydrophobicContact CB-CD2 4.33Å; E36-F38 HydrophobicContact CB-CE2 3.67Å; E36-F38 HydrophobicContact CB-CZ 4.38Å; E36-F38 WeakPolarHBondContact OE2-CZ 3.46Å; E36-R43 IonicContact OE1-NH2 3.21Å; E36-R43 PolarHBondContact OE1-NH2 2.81Å; E36-R43 IonicContact OE2-CZ 2.84Å; E36-R43 IonicContact OE2-NE 3.91Å; E36-R43 IonicContact OE2-NH2 2.74Å; E36-R43 PolarHBondContact OE2-NH2 2.96Å | ||
| 37 | W | 31.3 | Very low | 33.8 | Very low | 224 Ų | 224 | 152.5 Ų | 152.5 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | trans | -95.1 | 125.5 | 178 | -67.7 | 95.7 | 0 | 0 | 0 | 110.7 | ||||
| 38 | F | 33.9 | Very low | 33.7 | Very low | 109 Ų | 109 | 155.1 Ų | 155.1 | 48% | 0.478 | 77% | 0.771 | S | S | . | * | B | Isolated β-bridge | trans | -120.1 | 140.7 | 176.3 | -67.4 | -92.8 | 0 | 0 | 0 | 110.6 | E36 R43 | E36-F38 HydrophobicContact CB-CD2 4.33Å; E36-F38 HydrophobicContact CB-CE2 3.67Å; E36-F38 HydrophobicContact CB-CZ 4.38Å; E36-F38 WeakPolarHBondContact OE2-CZ 3.46Å; F38-R43 HydrophobicContact CE1-CG 3.86Å; F38-R43 HydrophobicContact CZ-CG 4.33Å |
| 39 | L | 31.3 | Very low | 33.6 | Very low | 167 Ų | 167 | 151.3 Ų | 151.3 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -124.2 | 100.5 | 160.4 | -121 | 86.4 | 0 | 0 | 0 | 107.4 | ||
| 40 | G | 55.4 | Low | 33.6 | Very low | 59 Ų | 59 | 154.6 Ų | 154.6 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 72.7 | -152.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E42 | G40-E42 PolarHBondContact O-N 2.79Š|
| 41 | H | 34.5 | Very low | 33.4 | Very low | 206 Ų | 206 | 158.7 Ų | 158.7 | 95% | 0.954 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -96 | 41.2 | -174.6 | -91.4 | 45.4 | 0 | 0 | 0 | 114.2 | ||
| 42 | E | 32.8 | Very low | 34 | Very low | 166 Ų | 166 | 156.4 Ų | 156.4 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | -149.5 | 147.4 | 168.9 | -123.3 | 177.5 | 170.2 | 0 | 0 | 113.2 | G40 | G40-E42 PolarHBondContact O-N 2.79Š| ||
| 43 | R | 36.6 | Very low | 33.4 | Very low | 155 Ų | 155 | 157.1 Ų | 157.1 | 59% | 0.585 | 78% | 0.777 | S | S | * | * | B | Isolated β-bridge | trans | -97.2 | 133.6 | -169.1 | -122.5 | 179 | -160.4 | 161.8 | 1.5 | 111.3 | E36 F38 | E36-R43 IonicContact OE1-NH2 3.21Å; E36-R43 PolarHBondContact OE1-NH2 2.81Å; E36-R43 IonicContact OE2-CZ 2.84Å; E36-R43 IonicContact OE2-NE 3.91Å; E36-R43 IonicContact OE2-NH2 2.74Å; E36-R43 PolarHBondContact OE2-NH2 2.96Å; F38-R43 HydrophobicContact CE1-CG 3.86Å; F38-R43 HydrophobicContact CZ-CG 4.33Å |
| 44 | I | 31.8 | Very low | 33.3 | Very low | 150 Ų | 150 | 154 Ų | 154 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 121.4 | 176.6 | -55.4 | 176.4 | 0 | 0 | 0 | 110.3 | ||
| 45 | H | 35 | Very low | 32.9 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 75% | 0.745 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 146 | 169.1 | -76.5 | -74.9 | 0 | 0 | 0 | 111.4 | ||
| 46 | P | 32.1 | Very low | 32.6 | Very low | 113 Ų | 113 | 145.5 Ų | 145.5 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 141.9 | 178.8 | 29.9 | -32.5 | 0 | 0 | 0 | 111.4 | ||
| 47 | P | 31.3 | Very low | 32.4 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 141.1 | -177.4 | 30.9 | -31.8 | 0 | 0 | 0 | 112.3 | ||
| 48 | K | 29.1 | Very low | 32.3 | Very low | 203 Ų | 203 | 138.3 Ų | 138.3 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 148.2 | 175.3 | -73.2 | 176.8 | 175.9 | 175.5 | 0 | 111.8 | ||
| 49 | S | 32.8 | Very low | 32.1 | Very low | 113 Ų | 113 | 140 Ų | 140 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 135.4 | 172.5 | 54.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 50 | Q | 29.5 | Very low | 32.1 | Very low | 197 Ų | 197 | 137.7 Ų | 137.7 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -144.4 | 140.5 | 153.8 | -75 | -169.3 | -8.4 | 0 | 0 | 110.9 | ||||
| 51 | Q | 29.4 | Very low | 31.5 | Very low | 188 Ų | 188 | 144.8 Ų | 144.8 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | -91.3 | -167.8 | 176.9 | -54.4 | -173.8 | -47.8 | 0 | 0 | 112 | ||||
| 52 | P | 43 | Very low | 31.6 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | -124.6 | 168.9 | -102.2 | 36 | -15.5 | 0 | 0 | 0 | 114 | |||||
| 53 | L | 25.3 | Very low | 31.8 | Very low | 163 Ų | 163 | 142.4 Ų | 142.4 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -155.1 | 125.8 | 159.3 | -99.7 | 135.3 | 0 | 0 | 0 | 112.4 | ||||
| 54 | S | 26.4 | Very low | 32.5 | Very low | 100 Ų | 100 | 142.6 Ų | 142.6 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | trans | 32.6 | 136 | 144.5 | 56.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 55 | S | 26.1 | Very low | 33.1 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | cis | -179.9 | 159.1 | 25.6 | 42.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 56 | C | 25.1 | Very low | 33.7 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | 59.1 | 132.6 | 156.5 | 46.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 57 | S | 28.6 | Very low | 34.4 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | cis | -166.5 | 155.5 | 27.8 | 49.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 58 | G | 28.2 | Very low | 35 | Very low | 72 Ų | 72 | 135.7 Ų | 135.7 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | trans | 115 | 103.9 | 147.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 59 | V | 30.7 | Very low | 35.9 | Very low | 144 Ų | 144 | 131.6 Ų | 131.6 | 87% | 0.873 | 76% | 0.763 | S | S | * | * | trans | 78 | 99.9 | 152.7 | -161.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 60 | S | 30.3 | Very low | 36.7 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -77.2 | 122.2 | 173.8 | -176.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 61 | R | 42.4 | Very low | 37.3 | Very low | 208 Ų | 208 | 130.8 Ų | 130.8 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | -110 | 138.2 | 154.3 | -73.4 | -177 | 170.4 | -165.4 | -2.5 | 107.1 | F63 | R61-F63 PolarHBondContact O-N 3.14Š| ||
| 62 | P | 37 | Very low | 38.1 | Very low | 130 Ų | 130 | 128.4 Ų | 128.4 | 84% | 0.844 | 74% | 0.74 | S | S | * | * | trans | -68.7 | 106.3 | 176 | 27.7 | -30.6 | 0 | 0 | 0 | 108.8 | ||||
| 63 | F | 37.8 | Very low | 38.4 | Very low | 192 Ų | 192 | 132.9 Ų | 132.9 | 84% | 0.842 | 74% | 0.743 | S | S | * | * | trans | -81.3 | 118.1 | 167.4 | -117.2 | -93.7 | 0 | 0 | 0 | 107.9 | R61 T65 | R61-F63 PolarHBondContact O-N 3.14Å; F63-T65 PolarHBondContact O-N 2.8Å | ||
| 64 | L | 49.9 | Very low | 39.3 | Very low | 160 Ų | 160 | 129 Ų | 129 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | trans | -75.9 | 101.3 | 170.9 | -111.9 | 143.4 | 0 | 0 | 0 | 107.8 | V66 | L64-V66 PolarHBondContact O-N 3Š| ||
| 65 | T | 44.2 | Very low | 40.4 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 77% | 0.767 | 74% | 0.744 | S | S | * | * | trans | -82.2 | 103.4 | 170.1 | -54.5 | 0 | 0 | 0 | 0 | 108.3 | F63 N67 | F63-T65 PolarHBondContact O-N 2.8Å; T65-N67 PolarHBondContact O-N 2.74Å | ||
| 66 | V | 49 | Very low | 41.6 | Very low | 92 Ų | 92 | 135.7 Ų | 135.7 | 56% | 0.558 | 75% | 0.747 | S | S | * | * | trans | -83.8 | 111.5 | 170.3 | -178.9 | 0 | 0 | 0 | 0 | 108 | L64 V68 M71 | L64-V66 PolarHBondContact O-N 3Å; V66-V68 PolarHBondContact O-N 2.9Å; V66-M71 HydrophobicContact CG1-SD 4.21Å | ||
| 67 | N | 45.7 | Very low | 42.7 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 54% | 0.54 | 75% | 0.748 | S | S | . | * | trans | -80.5 | 101.1 | 173.3 | -168.5 | -27.5 | 0 | 0 | 0 | 109.4 | T65 N69 E70 | T65-N67 PolarHBondContact O-N 2.74Å; N67-N69 PolarHBondContact O-N 3.22Å; N67-N69 VanDerWaalsContact O-N 3.15Å; N67-N69 WeakPolarHBondContact OD1-CB 3.35Å; N67-N69 PolarHBondContact OD1-N 2.73Å; N67-E70 PolarHBondContact O-N 2.95Å | ||
| 68 | V | 44.1 | Very low | 43.7 | Very low | 89 Ų | 89 | 137.4 Ų | 137.4 | 54% | 0.539 | 75% | 0.745 | S | S | . | * | H | α-helix | trans | -64.1 | -19 | -175.6 | -168.5 | 0 | 0 | 0 | 0 | 112.4 | V66 E70 M71 | V66-V68 PolarHBondContact O-N 2.9Å; V68-E70 VanDerWaalsContact C-N 3.32Å; V68-E70 PolarHBondContact O-N 2.8Å; V68-M71 PolarHBondContact O-N 3.3Å |
| 69 | N | 49.6 | Very low | 44.6 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -74 | -17.9 | 177.1 | -93.7 | -9.3 | 0 | 0 | 0 | 114.2 | N67 | N67-N69 PolarHBondContact O-N 3.22Å; N67-N69 VanDerWaalsContact O-N 3.15Å; N67-N69 WeakPolarHBondContact OD1-CB 3.35Å; N67-N69 PolarHBondContact OD1-N 2.73Å |
| 70 | E | 47.7 | Very low | 45.6 | Very low | 158 Ų | 158 | 141 Ų | 141 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -83.2 | -27.4 | 170.6 | -89.7 | -165.8 | 148.2 | 0 | 0 | 112.8 | N67 V68 L72 R73 | N67-E70 PolarHBondContact O-N 2.95Å; V68-E70 VanDerWaalsContact C-N 3.32Å; V68-E70 PolarHBondContact O-N 2.8Å; E70-L72 PolarHBondContact O-N 3.49Å; E70-R73 PolarHBondContact O-N 2.89Å |
| 71 | M | 43.2 | Very low | 46.7 | Very low | 135 Ų | 135 | 146.2 Ų | 146.2 | 67% | 0.665 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -66.9 | -25 | 176 | -87 | 176.9 | 53.9 | 0 | 0 | 113.1 | V66 V68 | V66-M71 HydrophobicContact CG1-SD 4.21Å; V68-M71 PolarHBondContact O-N 3.3Å |
| 72 | L | 45.4 | Very low | 47.1 | Very low | 138 Ų | 138 | 145.4 Ų | 145.4 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | 7.7 | -177.6 | -65.6 | 172 | 0 | 0 | 0 | 114.2 | E70 | E70-L72 PolarHBondContact O-N 3.49Š|
| 73 | R | 49.2 | Very low | 47.5 | Very low | 203 Ų | 203 | 145.2 Ų | 145.2 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | 7.4 | 177.1 | -71.8 | -171.9 | 176.2 | 156.5 | 0.8 | 114.8 | E70 D75 | E70-R73 PolarHBondContact O-N 2.89Å; R73-D75 VanDerWaalsContact C-N 3.31Å; R73-D75 PolarHBondContact O-N 2.91Å |
| 74 | A | 44.2 | Very low | 47.9 | Very low | 83 Ų | 83 | 142.1 Ų | 142.1 | 69% | 0.686 | 74% | 0.744 | S | S | * | * | trans | -77.6 | -10 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K76 | A74-K76 PolarHBondContact O-N 3.1Š| ||
| 75 | D | 50.9 | Low | 47.9 | Very low | 167 Ų | 167 | 140.4 Ų | 140.4 | 89% | 0.893 | 74% | 0.743 | S | S | * | * | trans | -97.3 | 77 | 173.7 | -73.6 | -28.4 | 0 | 0 | 0 | 111 | R73 | R73-D75 VanDerWaalsContact C-N 3.31Å; R73-D75 PolarHBondContact O-N 2.91Å | ||
| 76 | K | 50.2 | Low | 47.9 | Very low | 172 Ų | 172 | 142.3 Ų | 142.3 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | -111.5 | 124 | 155.8 | -76.3 | -172.1 | 178.3 | -177.8 | 0 | 109 | A74 N78 | A74-K76 PolarHBondContact O-N 3.1Å; K76-N78 PolarHBondContact O-N 3.28Å | ||
| 77 | P | 48.6 | Very low | 47.9 | Very low | 128 Ų | 128 | 148.7 Ų | 148.7 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -84.1 | 60.4 | -169.8 | 35.9 | -36.8 | 0 | 0 | 0 | 111.5 | ||
| 78 | N | 49.5 | Very low | 48.1 | Very low | 153 Ų | 153 | 148.9 Ų | 148.9 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -168.2 | 82.8 | 166.2 | -97.7 | -27.9 | 0 | 0 | 0 | 111.7 | K76 | K76-N78 PolarHBondContact O-N 3.28Š| ||
| 79 | T | 47.3 | Very low | 48 | Very low | 123 Ų | 123 | 150.7 Ų | 150.7 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -137 | 110.1 | 155.3 | 48 | 0 | 0 | 0 | 0 | 109.8 | R81 | T79-R81 PolarHBondContact O-N 3.46Š| ||
| 80 | I | 50.9 | Low | 47.7 | Very low | 168 Ų | 168 | 150.2 Ų | 150.2 | 86% | 0.862 | 79% | 0.787 | S | S | * | * | trans | -67.3 | 111.8 | 172.6 | -66 | 166.8 | 0 | 0 | 0 | 107.7 | ||||
| 81 | R | 55 | Low | 47.5 | Very low | 229 Ų | 229 | 148.7 Ų | 148.7 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 126.6 | 175.2 | -67.3 | -173.3 | 179.9 | -170.1 | 1.2 | 109.7 | T79 | T79-R81 PolarHBondContact O-N 3.46Š|
| 82 | K | 49.1 | Very low | 47.4 | Very low | 190 Ų | 190 | 154 Ų | 154 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71 | 141.2 | 175.3 | -69.6 | -177.2 | 178.8 | 179.6 | 0 | 110.6 | ||
| 83 | P | 46.3 | Very low | 47.2 | Very low | 127 Ų | 127 | 153.2 Ų | 153.2 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 135.9 | 178.1 | -4.2 | 17.8 | 0 | 0 | 0 | 111.1 | ||
| 84 | V | 46.6 | Very low | 46.7 | Very low | 126 Ų | 126 | 150.1 Ų | 150.1 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 126.5 | 174.4 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | I86 | V84-I86 PolarHBondContact O-N 3.43Š|
| 85 | P | 50 | Low | 46.3 | Very low | 124 Ų | 124 | 157 Ų | 157 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 124.6 | 176.9 | -12.1 | 26.7 | 0 | 0 | 0 | 110.7 | ||
| 86 | I | 43.2 | Very low | 45.8 | Very low | 166 Ų | 166 | 155.1 Ų | 155.1 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | -84.6 | 114.8 | 173.7 | -56.7 | 174.6 | 0 | 0 | 0 | 108.1 | V84 | V84-I86 PolarHBondContact O-N 3.43Š| ||
| 87 | R | 48.5 | Very low | 45.2 | Very low | 226 Ų | 226 | 157.1 Ų | 157.1 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 130.6 | 170.6 | -162.5 | -176.1 | -133.6 | -171.2 | 4.2 | 109.3 | ||
| 88 | P | 49.8 | Very low | 44.3 | Very low | 104 Ų | 104 | 154.7 Ų | 154.7 | 68% | 0.675 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -69 | 149.4 | 173.2 | 26.7 | -31.3 | 0 | 0 | 0 | 111.1 | ||
| 89 | P | 43.3 | Very low | 43.7 | Very low | 128 Ų | 128 | 156.1 Ų | 156.1 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 139.1 | -178.9 | 29.3 | -32.7 | 0 | 0 | 0 | 111.5 | ||
| 90 | S | 42.9 | Very low | 43 | Very low | 107 Ų | 107 | 158.2 Ų | 158.2 | 75% | 0.748 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 147.1 | 177.4 | -48.9 | 0 | 0 | 0 | 0 | 112.1 | R92 | S90-R92 PolarHBondContact O-N 2.92Š|
| 91 | P | 43.4 | Very low | 42.3 | Very low | 125 Ų | 125 | 154.6 Ų | 154.6 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 123.3 | 176.3 | -14.2 | 27.7 | 0 | 0 | 0 | 110.5 | V93 | P91-V93 PolarHBondContact O-N 3.43Š|
| 92 | R | 41.8 | Very low | 41.2 | Very low | 247 Ų | 247 | 153 Ų | 153 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | trans | -77.5 | 109.2 | 179.1 | -167.6 | -179.8 | -95.8 | -124.2 | 1.6 | 109.4 | S90 | S90-R92 PolarHBondContact O-N 2.92Š| ||
| 93 | V | 40 | Very low | 40.5 | Very low | 122 Ų | 122 | 148.8 Ų | 148.8 | 74% | 0.739 | 81% | 0.814 | S | S | * | * | trans | -69.3 | 126.9 | 170.9 | 175.7 | 0 | 0 | 0 | 0 | 109.6 | P91 | P91-V93 PolarHBondContact O-N 3.43Š| ||
| 94 | T | 39.1 | Very low | 40 | Very low | 137 Ų | 137 | 152.1 Ų | 152.1 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | trans | -81 | 127.8 | 172.2 | -6.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 95 | R | 36 | Very low | 39.9 | Very low | 229 Ų | 229 | 154.3 Ų | 154.3 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | -141.2 | 155.1 | 164.4 | -88.6 | -159.8 | 177.4 | -153.9 | 0.5 | 111.8 | ||||
| 96 | P | 39.4 | Very low | 39.3 | Very low | 126 Ų | 126 | 154 Ų | 154 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -94.6 | 167.9 | -144.5 | 2.4 | 17.9 | 0 | 0 | 0 | 115 | ||||
| 97 | K | 37.5 | Very low | 39.4 | Very low | 215 Ų | 215 | 152.7 Ų | 152.7 | 94% | 0.935 | 82% | 0.822 | S | S | * | * | trans | -47.4 | 131.5 | 177.5 | -75.7 | 175.4 | 171.4 | 178.9 | 0 | 113.9 | ||||
| 98 | G | 31.1 | Very low | 39.2 | Very low | 76 Ų | 76 | 149.4 Ų | 149.4 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | trans | -123.2 | 125.4 | 151.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 99 | Q | 37.6 | Very low | 38.8 | Very low | 184 Ų | 184 | 150.2 Ų | 150.2 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | -74.1 | 140.5 | 169.1 | -69.5 | 172.4 | -82.8 | 0 | 0 | 108.3 | ||||
| 100 | D | 31.6 | Very low | 39.2 | Very low | 167 Ų | 167 | 150.2 Ų | 150.2 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | trans | -161 | 142.5 | 133.6 | -91.2 | -27.5 | 0 | 0 | 0 | 110.5 | ||||
| 101 | S | 35.3 | Very low | 39.3 | Very low | 92 Ų | 92 | 151 Ų | 151 | 64% | 0.643 | 82% | 0.822 | S | S | * | * | trans | -113.4 | 127.9 | -160.7 | 43.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 102 | H | 33.8 | Very low | 39.7 | Very low | 194 Ų | 194 | 154.1 Ų | 154.1 | 90% | 0.898 | 82% | 0.823 | S | S | * | * | trans | -148.2 | 121.3 | 151 | -80 | -66.9 | 0 | 0 | 0 | 110.7 | ||||
| 103 | S | 34.2 | Very low | 39.7 | Very low | 103 Ų | 103 | 147.9 Ų | 147.9 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | trans | -76.7 | 135.8 | 179.4 | 67.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 104 | F | 35.1 | Very low | 40.1 | Very low | 197 Ų | 197 | 149.3 Ų | 149.3 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -131 | 130.4 | 144.7 | -75.1 | -78.7 | 0 | 0 | 0 | 108.7 | T106 | F104-T106 PolarHBondContact O-N 2.87Š| ||
| 105 | L | 45 | Very low | 40.5 | Very low | 171 Ų | 171 | 150.1 Ų | 150.1 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -67.3 | 118.6 | -177.8 | -65.5 | 161.8 | 0 | 0 | 0 | 109.3 | ||||
| 106 | T | 36.3 | Very low | 41.2 | Very low | 117 Ų | 117 | 150.2 Ų | 150.2 | 72% | 0.718 | 81% | 0.814 | S | S | * | * | trans | -132.1 | 120.4 | 165.5 | -59.1 | 0 | 0 | 0 | 0 | 107.3 | F104 E108 | F104-T106 PolarHBondContact O-N 2.87Å; T106-E108 PolarHBondContact O-N 2.84Å; T106-E108 VanDerWaalsContact O-N 3.11Å | ||
| 107 | C | 45.6 | Very low | 41.6 | Very low | 139 Ų | 139 | 152.1 Ų | 152.1 | 94% | 0.939 | 81% | 0.812 | S | S | * | * | trans | -79.5 | 83.4 | 177.8 | -62.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 108 | E | 44.4 | Very low | 42.4 | Very low | 157 Ų | 157 | 152.9 Ų | 152.9 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -147.5 | 128.3 | 165.6 | -161.6 | 165.8 | -178.2 | 0 | 0 | 108.7 | T106 T110 | T106-E108 PolarHBondContact O-N 2.84Å; T106-E108 VanDerWaalsContact O-N 3.11Å; E108-T110 PolarHBondContact O-N 3.29Å | ||
| 109 | P | 42.3 | Very low | 43 | Very low | 122 Ų | 122 | 154.6 Ų | 154.6 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -67.6 | 121.9 | 179.7 | 27.2 | -30.8 | 0 | 0 | 0 | 109.1 | ||||
| 110 | T | 51.4 | Low | 43.7 | Very low | 128 Ų | 128 | 156.7 Ų | 156.7 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -60.6 | 128.4 | 175.8 | 25.5 | 0 | 0 | 0 | 0 | 110 | E108 K112 | E108-T110 PolarHBondContact O-N 3.29Å; T110-K112 PolarHBondContact O-N 3.38Å | ||
| 111 | P | 43.8 | Very low | 44.9 | Very low | 123 Ų | 123 | 154 Ų | 154 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | trans | -64.5 | 114.2 | 175.6 | 25.1 | -30.8 | 0 | 0 | 0 | 107.9 | ||||
| 112 | K | 52.7 | Low | 45.6 | Very low | 191 Ų | 191 | 157.3 Ų | 157.3 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | trans | -54.1 | 137.3 | 169.7 | -67.5 | 179.3 | -178.9 | 174.9 | 0 | 107.3 | T110 I114 | T110-K112 PolarHBondContact O-N 3.38Å; K112-I114 PolarHBondContact O-N 3.03Å; K112-I114 VanDerWaalsContact O-N 3.08Å | ||
| 113 | P | 42 | Very low | 46.6 | Very low | 116 Ų | 116 | 154 Ų | 154 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | -54.7 | 126.1 | 171.9 | 23.4 | -31.1 | 0 | 0 | 0 | 107.2 | I115 | P113-I115 VanDerWaalsContact C-N 3.32Å; P113-I115 PolarHBondContact O-N 3.34Å | ||
| 114 | I | 47.9 | Very low | 47.4 | Very low | 152 Ų | 152 | 154.5 Ų | 154.5 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | trans | -50.7 | 108.5 | 165.4 | -82.8 | 171.6 | 0 | 0 | 0 | 104.8 | K112 R116 | K112-I114 PolarHBondContact O-N 3.03Å; K112-I114 VanDerWaalsContact O-N 3.08Å; I114-R116 HydrophobicContact CG2-CG 4.47Å; I114-R116 PolarHBondContact O-N 2.98Å | ||
| 115 | I | 47.8 | Very low | 48 | Very low | 153 Ų | 153 | 148 Ų | 148 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -59.1 | 102.3 | 162.5 | -64.6 | 173.9 | 0 | 0 | 0 | 102.4 | P113 Q117 | P113-I115 VanDerWaalsContact C-N 3.32Å; P113-I115 PolarHBondContact O-N 3.34Å; I115-Q117 PolarHBondContact O-N 3.33Å | ||
| 116 | R | 51.1 | Low | 48.3 | Very low | 231 Ų | 231 | 147 Ų | 147 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -59.8 | 91.1 | 164.8 | -88.6 | -177.8 | 145.9 | -173.8 | -5.8 | 104.8 | I114 R118 | I114-R116 HydrophobicContact CG2-CG 4.47Å; I114-R116 PolarHBondContact O-N 2.98Å; R116-R118 PolarHBondContact O-N 2.94Å | ||
| 117 | Q | 47.8 | Very low | 48.9 | Very low | 166 Ų | 166 | 149.7 Ų | 149.7 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -60 | 101 | 166.7 | -164.3 | 175.4 | -13.7 | 0 | 0 | 104 | I115 S119 | I115-Q117 PolarHBondContact O-N 3.33Å; Q117-S119 PolarHBondContact O-N 3.27Å; Q117-S119 VanDerWaalsContact O-N 3.14Å | ||
| 118 | R | 54.7 | Low | 49 | Very low | 232 Ų | 232 | 150.4 Ų | 150.4 | 88% | 0.875 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 126.3 | 173.3 | -123.9 | -177.6 | -173.6 | -174.6 | 1.9 | 105.8 | R116 R120 | R116-R118 PolarHBondContact O-N 2.94Å; R118-R120 PolarHBondContact O-N 2.86Å |
| 119 | S | 42.7 | Very low | 49.1 | Very low | 111 Ų | 111 | 153.1 Ų | 153.1 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 121.9 | 172 | 37.5 | 0 | 0 | 0 | 0 | 107.3 | Q117 S121 | Q117-S119 PolarHBondContact O-N 3.27Å; Q117-S119 VanDerWaalsContact O-N 3.14Å; S119-S121 PolarHBondContact O-N 2.74Å; S119-S121 VanDerWaalsContact O-N 3.08Å |
| 120 | R | 52.7 | Low | 49.2 | Very low | 228 Ų | 228 | 156.2 Ų | 156.2 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 118.6 | 171.2 | -73.8 | -177 | 165.2 | -174.7 | -3.8 | 105.7 | R118 L122 | R118-R120 PolarHBondContact O-N 2.86Å; R120-L122 PolarHBondContact O-N 3.44Å |
| 121 | S | 55.6 | Low | 49.2 | Very low | 111 Ų | 111 | 160.2 Ų | 160.2 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 136.6 | 171.5 | 45.9 | 0 | 0 | 0 | 0 | 108.4 | S119 | S119-S121 PolarHBondContact O-N 2.74Å; S119-S121 VanDerWaalsContact O-N 3.08Å |
| 122 | L | 50.5 | Low | 49.5 | Very low | 162 Ų | 162 | 162.5 Ų | 162.5 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 141.6 | 177.2 | -70.1 | 170.6 | 0 | 0 | 0 | 109.4 | R120 S124 | R120-L122 PolarHBondContact O-N 3.44Å; L122-S124 PolarHBondContact O-N 3.04Å |
| 123 | P | 54.9 | Low | 49.3 | Very low | 123 Ų | 123 | 158.7 Ų | 158.7 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 129.7 | 175.8 | -16.1 | 28.6 | 0 | 0 | 0 | 109.1 | ||
| 124 | S | 50.9 | Low | 50 | Low | 115 Ų | 115 | 165.9 Ų | 165.9 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -60 | 139.1 | 175.4 | -158.5 | 0 | 0 | 0 | 0 | 109.6 | L122 | L122-S124 PolarHBondContact O-N 3.04Š|
| 125 | G | 47.5 | Very low | 50.5 | Low | 59 Ų | 59 | 161.4 Ų | 161.4 | 61% | 0.608 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -49 | 143.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q127 | G125-Q127 PolarHBondContact O-N 2.9Š|
| 126 | T | 52.4 | Low | 51.1 | Low | 151 Ų | 151 | 161.6 Ų | 161.6 | 93% | 0.926 | 83% | 0.826 | S | S | * | * | trans | -50.8 | 95.3 | 177.1 | 41.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 127 | Q | 48.9 | Very low | 51.8 | Low | 173 Ų | 173 | 153.9 Ų | 153.9 | 81% | 0.808 | 82% | 0.819 | S | S | * | * | trans | -103.6 | 112.5 | 163.4 | -77.5 | -94 | -9.7 | 0 | 0 | 106.9 | G125 K129 | G125-Q127 PolarHBondContact O-N 2.9Å; Q127-K129 PolarHBondContact O-N 2.81Å | ||
| 128 | N | 46 | Very low | 53 | Low | 154 Ų | 154 | 151.7 Ų | 151.7 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | trans | -42 | 115.4 | 170 | -80.3 | -43.2 | 0 | 0 | 0 | 109.6 | K130 | N128-K130 PolarHBondContact O-N 2.84Š| ||
| 129 | K | 47.2 | Very low | 53.8 | Low | 214 Ų | 214 | 148.2 Ų | 148.2 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | trans | -67.2 | 76.8 | 175.4 | -74.7 | -176.4 | 177.8 | 175 | 0 | 110.1 | Q127 K131 | Q127-K129 PolarHBondContact O-N 2.81Å; K129-K131 PolarHBondContact O-N 2.9Å | ||
| 130 | K | 44.3 | Very low | 55.5 | Low | 187 Ų | 187 | 150.5 Ų | 150.5 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | -79.9 | 110.6 | 156.7 | -84.4 | -176.9 | 176 | 177.1 | 0 | 107 | N128 Q132 | N128-K130 PolarHBondContact O-N 2.84Å; K130-Q132 PolarHBondContact O-N 2.93Å | ||
| 131 | K | 51.6 | Low | 56.9 | Low | 213 Ų | 213 | 142.4 Ų | 142.4 | 93% | 0.926 | 78% | 0.776 | S | S | * | * | trans | -51.5 | 99.5 | 165.2 | -80.1 | 175.2 | 173 | 175.3 | 0 | 108.4 | K129 | K129-K131 PolarHBondContact O-N 2.9Š| ||
| 132 | Q | 49.6 | Very low | 58.1 | Low | 170 Ų | 170 | 139.9 Ų | 139.9 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | trans | -134.4 | 119.2 | 161.7 | -74.7 | -155.7 | -13.2 | 0 | 0 | 110.4 | K130 | K130-Q132 PolarHBondContact O-N 2.93Š| ||
| 133 | S | 49.9 | Very low | 59.4 | Low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | 35.6 | 124.3 | 159.8 | 57.5 | 0 | 0 | 0 | 0 | 119.8 | G135 | S133-G135 PolarHBondContact O-N 2.92Š| ||
| 134 | R | 55.3 | Low | 60.5 | Low | 267 Ų | 267 | 139 Ų | 139 | 100% | 1.008 | 75% | 0.752 | S | S | * | * | trans | -62.1 | 69.7 | 163.3 | -69 | 176.2 | 161.4 | 158.7 | -5.6 | 112 | ||||
| 135 | G | 58.3 | Low | 61.7 | Low | 59 Ų | 59 | 135.8 Ų | 135.8 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | trans | -92.7 | 138.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | S133 G137 | S133-G135 PolarHBondContact O-N 2.92Å; G135-G137 PolarHBondContact O-N 2.8Å | ||
| 136 | V | 62.2 | Low | 63.1 | Low | 156 Ų | 156 | 138.1 Ų | 138.1 | 95% | 0.945 | 73% | 0.734 | S | S | * | * | trans | -69.1 | 110.1 | 167 | 179.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 137 | G | 65.9 | Low | 64.4 | Low | 69 Ų | 69 | 134.9 Ų | 134.9 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | trans | -107.8 | 136.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | G135 | G135-G137 PolarHBondContact O-N 2.8Š| ||
| 138 | V | 70.9 | Confident | 65.7 | Low | 120 Ų | 120 | 132.3 Ų | 132.3 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | trans | -88.9 | 126.4 | 168.1 | -175.9 | 0 | 0 | 0 | 0 | 107.3 | F140 | V138-F140 HydrophobicContact CG1-CE2 4.48Å; V138-F140 HydrophobicContact CG1-CZ 4.41Å | ||
| 139 | R | 72.9 | Confident | 66.6 | Low | 160 Ų | 160 | 132.3 Ų | 132.3 | 60% | 0.604 | 70% | 0.698 | S | S | * | * | trans | -108.2 | 137.3 | 171.3 | 115.7 | -177.2 | -73.8 | 125.1 | -2 | 107.8 | V141 D147 | R139-V141 HydrophobicContact CG-CG1 3.51Å; R139-D147 IonicContact CZ-OD1 3.64Å; R139-D147 IonicContact CZ-OD2 2.94Å; R139-D147 IonicContact NE-OD1 3.72Å; R139-D147 PolarHBondContact NE-OD1 2.84Å; R139-D147 VanDerWaalsContact NH2-CG 3.26Å; R139-D147 IonicContact NH2-OD1 3.08Å; R139-D147 PolarHBondContact NH2-OD1 2.97Å; R139-D147 IonicContact NH2-OD2 3.69Å; R139-D147 PolarHBondContact NH2-OD2 2.91Å | ||
| 140 | F | 77.4 | Confident | 67.7 | Low | 159 Ų | 159 | 128.6 Ų | 128.6 | 70% | 0.697 | 69% | 0.688 | S | S | * | * | trans | -95.3 | 123.4 | 173.8 | -62.9 | -89.8 | 0 | 0 | 0 | 108.7 | V138 L148 | V138-F140 HydrophobicContact CG1-CE2 4.48Å; V138-F140 HydrophobicContact CG1-CZ 4.41Å; F140-L148 HydrophobicContact CB-CD1 3.75Å | ||
| 141 | V | 83.6 | Confident | 68.9 | Low | 58 Ų | 58 | 124.3 Ų | 124.3 | 35% | 0.352 | 68% | 0.678 | S | S | . | * | B | Isolated β-bridge | trans | -130.4 | 158.7 | -179.8 | -66.4 | 0 | 0 | 0 | 0 | 111 | R139 L146 | R139-V141 HydrophobicContact CG-CG1 3.51Å; V141-L146 CarbonylContact C-O 3.51Å; V141-L146 WeakPolarHBondContact CA-O 3.47Å; V141-L146 WeakPolarHBondContact CB-O 3.48Å |
| 142 | D | 79.1 | Confident | 69.6 | Low | 57 Ų | 57 | 122.4 Ų | 122.4 | 31% | 0.305 | 67% | 0.665 | S | S | . | * | trans | -70.6 | 179.8 | 170.2 | 75.8 | 0.9 | 0 | 0 | 0 | 112.4 | L144 G145 L146 L148 | D142-L144 PolarHBondContact O-N 2.9Å; D142-L144 VanDerWaalsContact O-N 3.11Å; D142-L144 VanDerWaalsContact OD1-C 3.26Å; D142-L144 VanDerWaalsContact OD1-CA 3.27Å; D142-L144 WeakPolarHBondContact OD1-CA 3.36Å; D142-L144 WeakPolarHBondContact OD1-CB 3.41Å; D142-L144 PolarHBondContact OD1-N 2.89Å; D142-G145 PolarHBondContact O-N 3.28Å; D142-G145 PolarHBondContact OD1-N 2.89Å; D142-L146 PolarHBondContact N-O 2.61Å; D142-L146 PolarHBondContact OD1-N 2.84Å; D142-L148 HydrophobicContact CB-CD2 4.08Å | ||
| 143 | S | 79.5 | Confident | 70.6 | Confident | 124 Ų | 124 | 120.2 Ų | 120.2 | 87% | 0.867 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -10.4 | 178.4 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 144 | L | 77.9 | Confident | 71.7 | Confident | 143 Ų | 143 | 121.1 Ų | 121.1 | 75% | 0.749 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | -2.6 | 176.2 | -57.7 | 179.5 | 0 | 0 | 0 | 112.6 | D142 | D142-L144 PolarHBondContact O-N 2.9Å; D142-L144 VanDerWaalsContact O-N 3.11Å; D142-L144 VanDerWaalsContact OD1-C 3.26Å; D142-L144 VanDerWaalsContact OD1-CA 3.27Å; D142-L144 WeakPolarHBondContact OD1-CA 3.36Å; D142-L144 WeakPolarHBondContact OD1-CB 3.41Å; D142-L144 PolarHBondContact OD1-N 2.89Å |
| 145 | G | 75.6 | Confident | 72.7 | Confident | 47 Ų | 47 | 116 Ų | 116 | 49% | 0.485 | 64% | 0.638 | S | S | . | * | S | Bend | trans | 83.8 | 16.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D142 | D142-G145 PolarHBondContact O-N 3.28Å; D142-G145 PolarHBondContact OD1-N 2.89Å |
| 146 | L | 77.1 | Confident | 73.1 | Confident | 108 Ų | 108 | 119.8 Ų | 119.8 | 57% | 0.565 | 65% | 0.654 | S | S | * | * | trans | -91.8 | 148.2 | 175.2 | -58.7 | 177.8 | 0 | 0 | 0 | 110.6 | V141 D142 L148 | V141-L146 CarbonylContact C-O 3.51Å; V141-L146 WeakPolarHBondContact CA-O 3.47Å; V141-L146 WeakPolarHBondContact CB-O 3.48Å; D142-L146 PolarHBondContact N-O 2.61Å; D142-L146 PolarHBondContact OD1-N 2.84Å; L146-L148 PolarHBondContact O-N 2.72Å | ||
| 147 | D | 79.2 | Confident | 73.7 | Confident | 84 Ų | 84 | 116.1 Ų | 116.1 | 45% | 0.449 | 65% | 0.649 | S | S | . | * | B | Isolated β-bridge | trans | -60.4 | 136.9 | 176.9 | -67.4 | -32.1 | 0 | 0 | 0 | 110 | R139 E149 | R139-D147 IonicContact CZ-OD1 3.64Å; R139-D147 IonicContact CZ-OD2 2.94Å; R139-D147 IonicContact NE-OD1 3.72Å; R139-D147 PolarHBondContact NE-OD1 2.84Å; R139-D147 VanDerWaalsContact NH2-CG 3.26Å; R139-D147 IonicContact NH2-OD1 3.08Å; R139-D147 PolarHBondContact NH2-OD1 2.97Å; R139-D147 IonicContact NH2-OD2 3.69Å; R139-D147 PolarHBondContact NH2-OD2 2.91Å; D147-E149 PolarHBondContact O-N 2.62Å |
| 148 | L | 75.9 | Confident | 74.3 | Confident | 119 Ų | 119 | 118.2 Ų | 118.2 | 62% | 0.623 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -66.1 | -20.4 | -175.1 | -72.3 | 172.5 | 0 | 0 | 0 | 113.8 | F140 D142 L146 | F140-L148 HydrophobicContact CB-CD1 3.75Å; D142-L148 HydrophobicContact CB-CD2 4.08Å; L146-L148 PolarHBondContact O-N 2.72Å |
| 149 | E | 65.8 | Low | 74.2 | Confident | 153 Ų | 153 | 119.8 Ų | 119.8 | 72% | 0.715 | 64% | 0.644 | S | S | * | * | trans | -140.6 | 138.7 | 178.5 | 60 | -179.6 | -172.7 | 0 | 0 | 111 | D147 V151 | D147-E149 PolarHBondContact O-N 2.62Å; E149-V151 HydrophobicContact CB-CG2 4.28Å; E149-V151 HydrophobicContact CG-CG2 4.03Å | ||
| 150 | D | 69.8 | Low | 74.1 | Confident | 136 Ų | 136 | 116.1 Ų | 116.1 | 73% | 0.727 | 64% | 0.641 | S | S | * | * | trans | -108.5 | 96.7 | 165.3 | -176 | 33.7 | 0 | 0 | 0 | 107.7 | R152 | D150-R152 PolarHBondContact O-N 3.4Š| ||
| 151 | V | 70.2 | Confident | 74 | Confident | 98 Ų | 98 | 117.5 Ų | 117.5 | 59% | 0.594 | 65% | 0.647 | S | S | * | * | trans | -88.6 | 106.1 | -179.1 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | E149 V153 | E149-V151 HydrophobicContact CB-CG2 4.28Å; E149-V151 HydrophobicContact CG-CG2 4.03Å; V151-V153 HydrophobicContact CG1-CG2 4.34Å | ||
| 152 | R | 65.1 | Low | 73.6 | Confident | 173 Ų | 173 | 117.4 Ų | 117.4 | 65% | 0.653 | 65% | 0.647 | S | S | * | * | trans | -96.3 | 112.1 | 173.4 | -162.6 | 174.4 | -64.5 | -142.1 | 0.9 | 110 | D150 F154 | D150-R152 PolarHBondContact O-N 3.4Å; R152-F154 HydrophobicContact CB-CE2 4.19Å; R152-F154 HydrophobicContact CB-CZ 4.4Å; R152-F154 HydrophobicContact CG-CE1 4.49Å; R152-F154 HydrophobicContact CG-CE2 4.23Å; R152-F154 HydrophobicContact CG-CZ 4.05Å; R152-F154 WeakPolarHBondContact O-CD2 3.41Å | ||
| 153 | V | 70.9 | Confident | 73.5 | Confident | 123 Ų | 123 | 117.1 Ų | 117.1 | 75% | 0.745 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 117.3 | 178.5 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | V151 | V151-V153 HydrophobicContact CG1-CG2 4.34Š|
| 154 | F | 72.6 | Confident | 72.9 | Confident | 130 Ų | 130 | 117.8 Ų | 117.8 | 57% | 0.57 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 138.5 | 174.1 | -62.3 | -87 | 0 | 0 | 0 | 110.2 | R152 | R152-F154 HydrophobicContact CB-CE2 4.19Å; R152-F154 HydrophobicContact CB-CZ 4.4Å; R152-F154 HydrophobicContact CG-CE1 4.49Å; R152-F154 HydrophobicContact CG-CE2 4.23Å; R152-F154 HydrophobicContact CG-CZ 4.05Å; R152-F154 WeakPolarHBondContact O-CD2 3.41Å |
| 155 | K | 77.4 | Confident | 72.3 | Confident | 161 Ų | 161 | 116.8 Ų | 116.8 | 70% | 0.7 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 145.1 | 173.3 | -67.2 | 177.3 | -178.1 | 172.5 | 0 | 110 | G157 E158 | K155-G157 PolarHBondContact O-N 3.43Å; K155-E158 HydrophobicContact CB-CB 4.32Å; K155-E158 WeakPolarHBondContact O-CB 3.26Å; K155-E158 PolarHBondContact O-N 2.82Å; K155-E158 VanDerWaalsContact O-N 3.1Å |
| 156 | S | 67.4 | Low | 72.2 | Confident | 137 Ų | 137 | 117.1 Ų | 117.1 | 96% | 0.958 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | 120.2 | 172.3 | -170.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 157 | G | 74.1 | Confident | 72.1 | Confident | 80 Ų | 80 | 114.2 Ų | 114.2 | 83% | 0.825 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 95.9 | 0.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | K155 | K155-G157 PolarHBondContact O-N 3.43Š|
| 158 | E | 78 | Confident | 71.5 | Confident | 113 Ų | 113 | 116 Ų | 116 | 53% | 0.528 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -89.2 | 117.1 | 170.6 | -167.9 | 170.6 | -171.4 | 0 | 0 | 109.3 | K155 | K155-E158 HydrophobicContact CB-CB 4.32Å; K155-E158 WeakPolarHBondContact O-CB 3.26Å; K155-E158 PolarHBondContact O-N 2.82Å; K155-E158 VanDerWaalsContact O-N 3.1Å |
| 159 | D | 69.4 | Low | 71.2 | Confident | 152 Ų | 152 | 116.5 Ų | 116.5 | 81% | 0.813 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 126.9 | 178 | -78.4 | -25.3 | 0 | 0 | 0 | 109.7 | F161 | D159-F161 PolarHBondContact O-N 2.85Š|
| 160 | P | 71.1 | Confident | 71.4 | Confident | 83 Ų | 83 | 114.8 Ų | 114.8 | 54% | 0.539 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 129 | 178.2 | 25.7 | -32.1 | 0 | 0 | 0 | 109.2 | V162 | P160-V162 VanDerWaalsContact C-N 3.34Å; P160-V162 HydrophobicContact CB-CG2 4.42Å; P160-V162 HydrophobicContact CG-CG2 4.36Å; P160-V162 PolarHBondContact O-N 2.82Å |
| 161 | F | 73.9 | Confident | 71.3 | Confident | 188 Ų | 188 | 113.3 Ų | 113.3 | 83% | 0.825 | 59% | 0.592 | S | S | * | * | trans | -69.5 | 95.4 | 170.1 | -178.1 | -99.8 | 0 | 0 | 0 | 108.8 | D159 P163 | D159-F161 PolarHBondContact O-N 2.85Å; F161-P163 WeakPolarHBondContact O-CD 3.23Å | ||
| 162 | V | 75.4 | Confident | 71.1 | Confident | 57 Ų | 57 | 110.8 Ų | 110.8 | 35% | 0.345 | 57% | 0.574 | S | S | . | * | trans | -87.2 | 117.6 | 175.1 | -176.4 | 0 | 0 | 0 | 0 | 107.9 | P160 V166 T167 | P160-V162 VanDerWaalsContact C-N 3.34Å; P160-V162 HydrophobicContact CB-CG2 4.42Å; P160-V162 HydrophobicContact CG-CG2 4.36Å; P160-V162 PolarHBondContact O-N 2.82Å; V162-V166 HydrophobicContact CG1-CB 3.63Å; V162-V166 HydrophobicContact CG1-CG1 3.7Å; V162-T167 VanDerWaalsContact CG1-OG1 3.29Å; V162-T167 WeakPolarHBondContact CG1-OG1 3.19Å | ||
| 163 | P | 77.1 | Confident | 71 | Confident | 50 Ų | 50 | 103.7 Ų | 103.7 | 33% | 0.325 | 56% | 0.555 | S | S | . | * | trans | -57.3 | 142.4 | 175.2 | -25.7 | 35.8 | 0 | 0 | 0 | 111.3 | F161 H165 V166 T167 | F161-P163 WeakPolarHBondContact O-CD 3.23Å; P163-H165 WeakPolarHBondContact CB-CE1 3.39Å; P163-H165 WeakPolarHBondContact CB-ND1 3.22Å; P163-H165 PolarHBondContact O-N 3.44Å; P163-V166 HydrophobicContact CB-CG2 4.4Å; P163-V166 WeakPolarHBondContact O-CA 3.41Å; P163-V166 WeakPolarHBondContact O-CB 3.44Å; P163-V166 PolarHBondContact O-N 2.89Å; P163-T167 PolarHBondContact O-N 2.82Å | ||
| 164 | Q | 66.7 | Low | 70.6 | Confident | 138 Ų | 138 | 100.6 Ų | 100.6 | 65% | 0.645 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -53 | -34.7 | -173.6 | -162.4 | 70.5 | -5.5 | 0 | 0 | 114 | V166 T167 F168 | Q164-V166 VanDerWaalsContact C-N 3.32Å; Q164-V166 PolarHBondContact O-N 3.2Å; Q164-T167 PolarHBondContact O-N 2.96Å; Q164-F168 VanDerWaalsContact O-CB 3.28Å; Q164-F168 WeakPolarHBondContact O-CB 3.48Å; Q164-F168 PolarHBondContact O-N 3.17Å |
| 165 | H | 66.9 | Low | 70 | Confident | 123 Ų | 123 | 99.2 Ų | 99.2 | 57% | 0.569 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.2 | -32.3 | 177.5 | 66.4 | -95.5 | 0 | 0 | 0 | 112.8 | P163 R169 | P163-H165 WeakPolarHBondContact CB-CE1 3.39Å; P163-H165 WeakPolarHBondContact CB-ND1 3.22Å; P163-H165 PolarHBondContact O-N 3.44Å; H165-R169 WeakPolarHBondContact O-CB 3.28Å; H165-R169 VanDerWaalsContact O-CG 3.25Å; H165-R169 WeakPolarHBondContact O-CG 3.29Å; H165-R169 PolarHBondContact O-N 3.47Å; H165-R169 VanDerWaalsContact O-N 3.08Å |
| 166 | V | 73.5 | Confident | 69.2 | Low | 53 Ų | 53 | 95.3 Ų | 95.3 | 32% | 0.321 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -73.3 | -46.4 | 175.7 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | V162 P163 Q164 F168 R169 L170 | V162-V166 HydrophobicContact CG1-CB 3.63Å; V162-V166 HydrophobicContact CG1-CG1 3.7Å; P163-V166 HydrophobicContact CB-CG2 4.4Å; P163-V166 WeakPolarHBondContact O-CA 3.41Å; P163-V166 WeakPolarHBondContact O-CB 3.44Å; P163-V166 PolarHBondContact O-N 2.89Å; Q164-V166 VanDerWaalsContact C-N 3.32Å; Q164-V166 PolarHBondContact O-N 3.2Å; V166-F168 VanDerWaalsContact C-N 3.31Å; V166-F168 PolarHBondContact O-N 2.85Å; V166-R169 PolarHBondContact O-N 3.01Å; V166-L170 HydrophobicContact CG1-CD1 4.07Å; V166-L170 HydrophobicContact CG1-CG 4.4Å; V166-L170 WeakPolarHBondContact O-CG 3.35Å; V166-L170 PolarHBondContact O-N 3.16Å |
| 167 | T | 74.7 | Confident | 68.7 | Low | 48 Ų | 48 | 94.5 Ų | 94.5 | 29% | 0.294 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 176 | -50.6 | 0 | 0 | 0 | 0 | 111.5 | V162 P163 Q164 L170 L171 | V162-T167 VanDerWaalsContact CG1-OG1 3.29Å; V162-T167 WeakPolarHBondContact CG1-OG1 3.19Å; P163-T167 PolarHBondContact O-N 2.82Å; Q164-T167 PolarHBondContact O-N 2.96Å; T167-L170 PolarHBondContact O-N 2.69Å; T167-L171 HydrophobicContact CG2-CD1 4.05Å; T167-L171 PolarHBondContact O-N 2.83Å |
| 168 | F | 66.2 | Low | 67.9 | Low | 122 Ų | 122 | 95 Ų | 95 | 54% | 0.535 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 175.3 | -179.8 | -96 | 0 | 0 | 0 | 111.9 | Q164 V166 L170 L171 M172 | Q164-F168 VanDerWaalsContact O-CB 3.28Å; Q164-F168 WeakPolarHBondContact O-CB 3.48Å; Q164-F168 PolarHBondContact O-N 3.17Å; V166-F168 VanDerWaalsContact C-N 3.31Å; V166-F168 PolarHBondContact O-N 2.85Å; F168-L170 VanDerWaalsContact C-N 3.34Å; F168-L170 PolarHBondContact O-N 2.94Å; F168-L171 PolarHBondContact O-N 3.37Å; F168-M172 HydrophobicContact CD1-CG 4.17Å; F168-M172 HydrophobicContact CE1-CG 3.78Å; F168-M172 HydrophobicContact CE1-SD 4.5Å; F168-M172 HydrophobicContact CE2-CG 4.26Å; F168-M172 HydrophobicContact CE2-SD 4.42Å; F168-M172 HydrophobicContact CZ-CG 3.83Å; F168-M172 HydrophobicContact CZ-SD 4.02Å; F168-M172 VanDerWaalsContact O-CG 3.27Å; F168-M172 WeakPolarHBondContact O-CG 3.29Å; F168-M172 PolarHBondContact O-N 2.83Å |
| 169 | R | 68.4 | Low | 66.8 | Low | 128 Ų | 128 | 93 Ų | 93 | 48% | 0.483 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 176.2 | -77.6 | -179.8 | 71.9 | 171.3 | 6.8 | 112.5 | H165 V166 M172 G173 F341 | H165-R169 WeakPolarHBondContact O-CB 3.28Å; H165-R169 VanDerWaalsContact O-CG 3.25Å; H165-R169 WeakPolarHBondContact O-CG 3.29Å; H165-R169 PolarHBondContact O-N 3.47Å; H165-R169 VanDerWaalsContact O-N 3.08Å; V166-R169 PolarHBondContact O-N 3.01Å; R169-M172 PolarHBondContact O-N 2.87Å; R169-G173 PolarHBondContact O-N 3.43Å; R169-F341 PolarHBondContact NH1-O 3.29Å; R169-F341 PolarHBondContact NH2-O 3.27Å |
| 170 | L | 70.9 | Confident | 66.3 | Low | 118 Ų | 118 | 93.9 Ų | 93.9 | 62% | 0.618 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.6 | -42 | 178 | -69.4 | 172.5 | 0 | 0 | 0 | 111.7 | V166 T167 F168 G173 A174 | V166-L170 HydrophobicContact CG1-CD1 4.07Å; V166-L170 HydrophobicContact CG1-CG 4.4Å; V166-L170 WeakPolarHBondContact O-CG 3.35Å; V166-L170 PolarHBondContact O-N 3.16Å; T167-L170 PolarHBondContact O-N 2.69Å; F168-L170 VanDerWaalsContact C-N 3.34Å; F168-L170 PolarHBondContact O-N 2.94Å; L170-G173 PolarHBondContact O-N 2.85Å; L170-A174 WeakPolarHBondContact O-CB 3.24Å; L170-A174 PolarHBondContact O-N 2.8Å |
| 171 | L | 68.4 | Low | 65.6 | Low | 104 Ų | 104 | 93.3 Ų | 93.3 | 55% | 0.545 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 173.7 | -108.3 | 97.6 | 0 | 0 | 0 | 111.5 | T167 F168 G173 A174 E175 | T167-L171 HydrophobicContact CG2-CD1 4.05Å; T167-L171 PolarHBondContact O-N 2.83Å; F168-L171 PolarHBondContact O-N 3.37Å; L171-G173 VanDerWaalsContact C-N 3.32Å; L171-G173 PolarHBondContact O-N 2.83Å; L171-A174 PolarHBondContact O-N 2.85Å; L171-E175 WeakPolarHBondContact O-CG 3.37Å; L171-E175 PolarHBondContact O-N 3.37Å |
| 172 | M | 65.1 | Low | 64.7 | Low | 45 Ų | 45 | 86 Ų | 86 | 22% | 0.222 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 177.5 | -66.9 | -74.6 | 75.6 | 0 | 0 | 111.9 | F168 R169 E175 M176 L182 | F168-M172 HydrophobicContact CD1-CG 4.17Å; F168-M172 HydrophobicContact CE1-CG 3.78Å; F168-M172 HydrophobicContact CE1-SD 4.5Å; F168-M172 HydrophobicContact CE2-CG 4.26Å; F168-M172 HydrophobicContact CE2-SD 4.42Å; F168-M172 HydrophobicContact CZ-CG 3.83Å; F168-M172 HydrophobicContact CZ-SD 4.02Å; F168-M172 VanDerWaalsContact O-CG 3.27Å; F168-M172 WeakPolarHBondContact O-CG 3.29Å; F168-M172 PolarHBondContact O-N 2.83Å; R169-M172 PolarHBondContact O-N 2.87Å; M172-E175 HydrophobicContact CE-CB 4.37Å; M172-E175 HydrophobicContact CE-CG 4.18Å; M172-E175 PolarHBondContact O-N 3.5Å; M172-M176 WeakPolarHBondContact O-CE 3.09Å; M172-M176 VanDerWaalsContact O-CG 3.28Å; M172-M176 WeakPolarHBondContact O-CG 3.38Å; M172-M176 PolarHBondContact O-N 3.07Å; M172-L182 HydrophobicContact SD-CD2 4.25Å |
| 173 | G | 62.5 | Low | 63.9 | Low | 25 Ų | 25 | 88.1 Ų | 88.1 | 26% | 0.258 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -57.9 | -46.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R169 L170 L171 M176 T177 | R169-G173 PolarHBondContact O-N 3.43Å; L170-G173 PolarHBondContact O-N 2.85Å; L171-G173 VanDerWaalsContact C-N 3.32Å; L171-G173 PolarHBondContact O-N 2.83Å; G173-M176 PolarHBondContact O-N 2.78Å; G173-T177 WeakPolarHBondContact O-CG2 3.44Å; G173-T177 PolarHBondContact O-N 2.77Å; G173-T177 VanDerWaalsContact O-N 3.16Å |
| 174 | A | 63.1 | Low | 63.3 | Low | 57 Ų | 57 | 89.5 Ų | 89.5 | 47% | 0.471 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L170 L171 M176 T177 | L170-A174 WeakPolarHBondContact O-CB 3.24Å; L170-A174 PolarHBondContact O-N 2.8Å; L171-A174 PolarHBondContact O-N 2.85Å; A174-M176 VanDerWaalsContact C-N 3.32Å; A174-M176 PolarHBondContact O-N 2.85Å; A174-T177 PolarHBondContact O-N 2.8Å; A174-T177 VanDerWaalsContact O-N 3.16Å; A174-T177 PolarHBondContact O-OG1 2.81Å |
| 175 | E | 60.5 | Low | 63.2 | Low | 101 Ų | 101 | 86.5 Ų | 86.5 | 47% | 0.472 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.1 | -37.8 | 176.3 | -68.5 | -69.5 | 149.9 | 0 | 0 | 112.1 | L171 M172 T177 D178 | L171-E175 WeakPolarHBondContact O-CG 3.37Å; L171-E175 PolarHBondContact O-N 3.37Å; M172-E175 HydrophobicContact CE-CB 4.37Å; M172-E175 HydrophobicContact CE-CG 4.18Å; M172-E175 PolarHBondContact O-N 3.5Å; E175-T177 VanDerWaalsContact C-N 3.32Å; E175-T177 PolarHBondContact O-N 3.25Å; E175-D178 PolarHBondContact O-N 2.76Å |
| 176 | M | 58.8 | Low | 63.2 | Low | 79 Ų | 79 | 82.3 Ų | 82.3 | 39% | 0.389 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67 | -29.9 | 175.5 | -70.3 | -176.3 | -63.3 | 0 | 0 | 113 | M172 G173 A174 D178 L182 M338 | M172-M176 WeakPolarHBondContact O-CE 3.09Å; M172-M176 VanDerWaalsContact O-CG 3.28Å; M172-M176 WeakPolarHBondContact O-CG 3.38Å; M172-M176 PolarHBondContact O-N 3.07Å; G173-M176 PolarHBondContact O-N 2.78Å; A174-M176 VanDerWaalsContact C-N 3.32Å; A174-M176 PolarHBondContact O-N 2.85Å; M176-D178 VanDerWaalsContact C-N 3.34Å; M176-D178 PolarHBondContact O-N 2.58Å; M176-L182 HydrophobicContact CG-CD1 3.99Å; M176-M338 HydrophobicContact SD-CE 4.06Å |
| 177 | T | 57.8 | Low | 63.2 | Low | 121 Ų | 121 | 83.4 Ų | 83.4 | 74% | 0.742 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -74.8 | -18.9 | 179.5 | 57.4 | 0 | 0 | 0 | 0 | 114.3 | G173 A174 E175 G179 | G173-T177 WeakPolarHBondContact O-CG2 3.44Å; G173-T177 PolarHBondContact O-N 2.77Å; G173-T177 VanDerWaalsContact O-N 3.16Å; A174-T177 PolarHBondContact O-N 2.8Å; A174-T177 VanDerWaalsContact O-N 3.16Å; A174-T177 PolarHBondContact O-OG1 2.81Å; E175-T177 VanDerWaalsContact C-N 3.32Å; E175-T177 PolarHBondContact O-N 3.25Å; T177-G179 PolarHBondContact O-N 2.76Å |
| 178 | D | 57.7 | Low | 63.5 | Low | 89 Ų | 89 | 83.6 Ų | 83.6 | 48% | 0.476 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 3.8 | 177.8 | -158.3 | 27.3 | 0 | 0 | 0 | 112.8 | E175 M176 R180 | E175-D178 PolarHBondContact O-N 2.76Å; M176-D178 VanDerWaalsContact C-N 3.34Å; M176-D178 PolarHBondContact O-N 2.58Å; D178-R180 HydrophobicContact CB-CG 4.34Å; D178-R180 PolarHBondContact O-N 3.41Å; D178-R180 IonicContact OD2-CZ 2.76Å; D178-R180 IonicContact OD2-NE 3.14Å; D178-R180 PolarHBondContact OD2-NE 3.28Å; D178-R180 IonicContact OD2-NH2 3.37Å; D178-R180 PolarHBondContact OD2-NH2 3.28Å |
| 179 | G | 55.3 | Low | 64.6 | Low | 71 Ų | 71 | 78.4 Ų | 78.4 | 73% | 0.732 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 8.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T177 | T177-G179 PolarHBondContact O-N 2.76Š|
| 180 | R | 57.4 | Low | 65.5 | Low | 171 Ų | 171 | 77.2 Ų | 77.2 | 65% | 0.645 | 42% | 0.417 | S | S | * | . | trans | -80.9 | 122.9 | 173.1 | -60.1 | -170.1 | -163.1 | -170.1 | 10.2 | 107.5 | D178 L182 | D178-R180 HydrophobicContact CB-CG 4.34Å; D178-R180 PolarHBondContact O-N 3.41Å; D178-R180 IonicContact OD2-CZ 2.76Å; D178-R180 IonicContact OD2-NE 3.14Å; D178-R180 PolarHBondContact OD2-NE 3.28Å; D178-R180 IonicContact OD2-NH2 3.37Å; D178-R180 PolarHBondContact OD2-NH2 3.28Å; R180-L182 PolarHBondContact O-N 2.96Å | ||
| 181 | H | 56.8 | Low | 66.6 | Low | 72 Ų | 72 | 73 Ų | 73 | 33% | 0.333 | 40% | 0.396 | S | S | . | . | trans | -55.1 | 132.1 | 171.2 | -167.7 | 64.9 | 0 | 0 | 0 | 109.6 | E183 A329 V330 E335 | H181-E183 PolarHBondContact O-N 3Å; H181-A329 VanDerWaalsContact CD2-CA 3.5Å; H181-A329 WeakPolarHBondContact CD2-CA 3.46Å; H181-A329 VanDerWaalsContact NE2-C 3.26Å; H181-A329 WeakPolarHBondContact NE2-CA 3.14Å; H181-A329 WeakPolarHBondContact NE2-CB 3.46Å; H181-V330 PolarHBondContact CE1-O 2.86Å; H181-V330 PolarHBondContact NE2-N 2.92Å; H181-V330 VanDerWaalsContact NE2-N 3.19Å; H181-V330 PolarHBondContact NE2-O 2.72Å; H181-E335 IonicContact CE1-OE1 2.95Å; H181-E335 IonicContact ND1-OE1 2.68Å; H181-E335 PolarHBondContact ND1-OE1 3.38Å; H181-E335 VanDerWaalsContact ND1-OE1 3.08Å | ||
| 182 | L | 55.8 | Low | 67.7 | Low | 34 Ų | 34 | 72.1 Ų | 72.1 | 18% | 0.178 | 40% | 0.395 | C | S | . | . | trans | -59 | 111.8 | 176.8 | -112.2 | 79.1 | 0 | 0 | 0 | 108.4 | M172 M176 R180 V330 M338 | M172-L182 HydrophobicContact SD-CD2 4.25Å; M176-L182 HydrophobicContact CG-CD1 3.99Å; R180-L182 PolarHBondContact O-N 2.96Å; L182-V330 HydrophobicContact CB-CB 4.08Å; L182-V330 HydrophobicContact CB-CG2 3.75Å; L182-V330 WeakPolarHBondContact O-CG2 3.24Å; L182-V330 PolarHBondContact O-N 3.01Å; L182-M338 HydrophobicContact CD2-CE 4.3Å | ||
| 183 | E | 59.2 | Low | 68.9 | Low | 101 Ų | 101 | 72.4 Ų | 72.4 | 47% | 0.472 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 106.3 | 172.6 | -68.6 | -168.8 | 168.6 | 0 | 0 | 109 | H181 N185 K327 | H181-E183 PolarHBondContact O-N 3Å; E183-N185 PolarHBondContact O-N 2.83Å; E183-N185 PolarHBondContact O-ND2 2.84Å; E183-K327 IonicContact OE1-NZ 3.41Å; E183-K327 PolarHBondContact OE1-NZ 2.86Å; E183-K327 IonicContact OE2-NZ 3.58Å; E183-K327 PolarHBondContact OE2-NZ 3.05Å |
| 184 | I | 63.8 | Low | 70 | Confident | 80 Ų | 80 | 76.8 Ų | 76.8 | 41% | 0.41 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 117.8 | 169.4 | -55.8 | 173.7 | 0 | 0 | 0 | 107.2 | L186 L328 V330 | I184-L186 HydrophobicContact CG2-CD2 4.1Å; I184-L186 HydrophobicContact CG2-CG 4.02Å; I184-L328 HydrophobicContact CB-CB 4.27Å; I184-L328 PolarHBondContact N-O 2.85Å; I184-L328 PolarHBondContact O-N 2.81Å; I184-V330 HydrophobicContact CD1-CG2 3.69Å; I184-V330 HydrophobicContact CG1-CG2 3.8Å |
| 185 | N | 63.4 | Low | 71.4 | Confident | 74 Ų | 74 | 78.6 Ų | 78.6 | 40% | 0.396 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 107.7 | 175 | -78 | -90.5 | 0 | 0 | 0 | 109.3 | E183 P187 N325 Y326 | E183-N185 PolarHBondContact O-N 2.83Å; E183-N185 PolarHBondContact O-ND2 2.84Å; N185-P187 WeakPolarHBondContact O-CD 3.29Å; N185-N325 HydrophobicContact CB-CB 4.48Å; N185-N325 PolarHBondContact OD1-ND2 2.78Å; N185-Y326 WeakPolarHBondContact CA-O 3.35Å |
| 186 | L | 67.9 | Low | 73 | Confident | 35 Ų | 35 | 75.8 Ų | 75.8 | 18% | 0.183 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 107.2 | 175.2 | -66.7 | 174.5 | 0 | 0 | 0 | 109.8 | M15 I184 Y188 N325 Y326 L328 | M15-L186 HydrophobicContact CG-CD2 3.69Å; M15-L186 HydrophobicContact SD-CD2 3.72Å; I184-L186 HydrophobicContact CG2-CD2 4.1Å; I184-L186 HydrophobicContact CG2-CG 4.02Å; L186-Y188 PolarHBondContact O-N 2.79Å; L186-N325 WeakPolarHBondContact O-CA 3.33Å; L186-Y326 PolarHBondContact N-O 2.85Å; L186-Y326 PolarHBondContact O-N 2.74Å; L186-L328 HydrophobicContact CD1-CD1 3.53Å; L186-L328 HydrophobicContact CD1-CG 4.37Å; L186-L328 HydrophobicContact CG-CD1 4.47Å |
| 187 | P | 74 | Confident | 74.7 | Confident | 76 Ų | 76 | 72.5 Ų | 72.5 | 49% | 0.494 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 131 | 176 | 28.5 | -32.5 | 0 | 0 | 0 | 110 | N185 Q324 N325 | N185-P187 WeakPolarHBondContact O-CD 3.29Å; P187-Q324 CarbonylContact C-O 3.45Å; P187-Q324 WeakPolarHBondContact CA-O 3.46Å; P187-N325 WeakPolarHBondContact CA-OD1 3.25Å |
| 188 | Y | 80.5 | Confident | 76.3 | Confident | 53 Ų | 53 | 67.5 Ų | 67.5 | 21% | 0.208 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 152 | 173.1 | 70.7 | -75.6 | 0 | 0 | 0 | 109.8 | L186 K190 C323 Q324 Y326 | L186-Y188 PolarHBondContact O-N 2.79Å; Y188-K190 HydrophobicContact CD2-CB 4.35Å; Y188-K190 HydrophobicContact CE2-CB 3.88Å; Y188-K190 HydrophobicContact CE2-CD 4.47Å; Y188-K190 HydrophobicContact CE2-CG 4.44Å; Y188-C323 CarbonylContact O-C 3.55Å; Y188-C323 WeakPolarHBondContact O-CA 3.31Å; Y188-Q324 HydrophobicContact CD1-CB 4.23Å; Y188-Q324 WeakPolarHBondContact CD1-O 3.5Å; Y188-Q324 HydrophobicContact CE1-CB 3.57Å; Y188-Q324 HydrophobicContact CE2-CB 4.29Å; Y188-Q324 PolarHBondContact N-O 3.47Å; Y188-Q324 PolarHBondContact O-N 3.26Å; Y188-Q324 PolarHBondContact OH-OE1 3.34Å; Y188-Y326 AromaticContact CD1-CD2 3.04Å; Y188-Y326 HydrophobicContact CD1-CD2 3.04Å; Y188-Y326 AromaticContact CD1-CE2 3.22Å; Y188-Y326 HydrophobicContact CD1-CE2 3.22Å; Y188-Y326 AromaticContact CD1-CG 3.85Å; Y188-Y326 HydrophobicContact CD1-CG 3.85Å; Y188-Y326 HydrophobicContact CD2-CD2 4.29Å; Y188-Y326 AromaticContact CD2-CE2 3.6Å; Y188-Y326 HydrophobicContact CD2-CE2 3.6Å; Y188-Y326 AromaticContact CE1-CD1 3.93Å; Y188-Y326 HydrophobicContact CE1-CD1 3.93Å; Y188-Y326 AromaticContact CE1-CD2 3.04Å; Y188-Y326 HydrophobicContact CE1-CD2 3.04Å; Y188-Y326 AromaticContact CE1-CE1 3.93Å; Y188-Y326 HydrophobicContact CE1-CE1 3.93Å; Y188-Y326 AromaticContact CE1-CE2 3.06Å; Y188-Y326 HydrophobicContact CE1-CE2 3.06Å; Y188-Y326 AromaticContact CE1-CG 3.48Å; Y188-Y326 HydrophobicContact CE1-CG 3.48Å; Y188-Y326 VanDerWaalsContact CE1-CG 3.48Å; Y188-Y326 AromaticContact CE1-CZ 3.51Å; Y188-Y326 HydrophobicContact CE2-CD2 4.28Å; Y188-Y326 AromaticContact CE2-CE2 3.44Å; Y188-Y326 HydrophobicContact CE2-CE2 3.44Å; Y188-Y326 VanDerWaalsContact CE2-CE2 3.44Å; Y188-Y326 AromaticContact CE2-CZ 3.62Å; Y188-Y326 WeakPolarHBondContact CE2-OH 3.42Å; Y188-Y326 AromaticContact CG-CD2 3.71Å; Y188-Y326 HydrophobicContact CG-CD2 3.71Å; Y188-Y326 AromaticContact CG-CE2 3.49Å; Y188-Y326 HydrophobicContact CG-CE2 3.49Å; Y188-Y326 VanDerWaalsContact CG-CE2 3.49Å; Y188-Y326 AromaticContact CZ-CD2 3.7Å; Y188-Y326 AromaticContact CZ-CE1 3.8Å; Y188-Y326 AromaticContact CZ-CE2 3.16Å; Y188-Y326 AromaticContact CZ-CZ 3.19Å; Y188-Y326 VanDerWaalsContact OH-CZ 3.31Å; Y188-Y326 PolarHBondContact OH-OH 2.84Å |
| 189 | L | 88.1 | Confident | 78 | Confident | 13 Ų | 13 | 67 Ų | 67 | 7% | 0.068 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 131.1 | 173.8 | -72.4 | 170.3 | 0 | 0 | 0 | 109.7 | C219 I224 V287 L291 L321 C323 | L189-C219 WeakPolarHBondContact O-CB 3.2Å; L189-I224 HydrophobicContact CD1-CD1 3.53Å; L189-I224 HydrophobicContact CD1-CG1 3.84Å; L189-V287 HydrophobicContact CD1-CG1 4.18Å; L189-V287 HydrophobicContact CD1-CG2 3.95Å; L189-L291 HydrophobicContact CD1-CD1 4.08Å; L189-L291 HydrophobicContact CD2-CD1 4.3Å; L189-L291 HydrophobicContact CG-CD1 4.27Å; L189-L321 HydrophobicContact CB-CB 4.43Å; L189-L321 HydrophobicContact CD2-CB 4.41Å; L189-C323 HydrophobicContact CD2-CB 3.9Å |
| 190 | K | 89.3 | Confident | 79.8 | Confident | 102 Ų | 102 | 66.9 Ų | 66.9 | 44% | 0.443 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.2 | 176.3 | -171.7 | -179.4 | 176.3 | 178.5 | 0 | 109.9 | Y188 L321 V322 | Y188-K190 HydrophobicContact CD2-CB 4.35Å; Y188-K190 HydrophobicContact CE2-CB 3.88Å; Y188-K190 HydrophobicContact CE2-CD 4.47Å; Y188-K190 HydrophobicContact CE2-CG 4.44Å; K190-L321 CarbonylContact O-C 3.59Å; K190-L321 WeakPolarHBondContact O-CA 3.49Å; K190-V322 PolarHBondContact N-O 3.17Å; K190-V322 PolarHBondContact O-N 3.43Å |
| 191 | P | 92.3 | Very high | 81.3 | Confident | 29 Ų | 29 | 63.9 Ų | 63.9 | 19% | 0.188 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 141.7 | 172.7 | -15.7 | 27.2 | 0 | 0 | 0 | 113.5 | F193 L321 | P191-F193 VanDerWaalsContact C-N 3.34Å; P191-F193 HydrophobicContact CB-CD1 3.91Å; P191-F193 HydrophobicContact CB-CD2 4.06Å; P191-F193 HydrophobicContact CB-CE1 3.42Å; P191-F193 VanDerWaalsContact CB-CE1 3.42Å; P191-F193 HydrophobicContact CB-CE2 3.56Å; P191-F193 HydrophobicContact CB-CG 4.23Å; P191-F193 HydrophobicContact CB-CZ 3.24Å; P191-F193 HydrophobicContact CG-CE1 4.43Å; P191-F193 HydrophobicContact CG-CE2 4.2Å; P191-F193 HydrophobicContact CG-CZ 3.88Å; P191-F193 PolarHBondContact O-N 2.8Å; P191-L321 VanDerWaalsContact CA-CD2 3.45Å; P191-L321 HydrophobicContact CB-CD2 3.61Å; P191-L321 HydrophobicContact CG-CD2 3.81Å |
| 192 | V | 92.1 | Very high | 82.8 | Confident | 86 Ų | 86 | 65.6 Ų | 65.6 | 52% | 0.521 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -99 | 57.8 | 178.2 | -166.6 | 0 | 0 | 0 | 0 | 109.7 | K320 V322 | V192-K320 HydrophobicContact CB-CB 4.02Å; V192-K320 HydrophobicContact CG2-CB 4.09Å; V192-K320 PolarHBondContact N-O 3.34Å; V192-V322 HydrophobicContact CG2-CB 4.04Å; V192-V322 HydrophobicContact CG2-CG2 3.43Å; V192-V322 VanDerWaalsContact CG2-CG2 3.43Å |
| 193 | F | 90.3 | Very high | 84.6 | Confident | 51 Ų | 51 | 64.2 Ų | 64.2 | 22% | 0.224 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -143.6 | 145.1 | 168.9 | 43.4 | -108.1 | 0 | 0 | 0 | 109 | P191 Q195 Q196 V217 | P191-F193 VanDerWaalsContact C-N 3.34Å; P191-F193 HydrophobicContact CB-CD1 3.91Å; P191-F193 HydrophobicContact CB-CD2 4.06Å; P191-F193 HydrophobicContact CB-CE1 3.42Å; P191-F193 VanDerWaalsContact CB-CE1 3.42Å; P191-F193 HydrophobicContact CB-CE2 3.56Å; P191-F193 HydrophobicContact CB-CG 4.23Å; P191-F193 HydrophobicContact CB-CZ 3.24Å; P191-F193 HydrophobicContact CG-CE1 4.43Å; P191-F193 HydrophobicContact CG-CE2 4.2Å; P191-F193 HydrophobicContact CG-CZ 3.88Å; P191-F193 PolarHBondContact O-N 2.8Å; F193-Q195 VanDerWaalsContact C-N 3.31Å; F193-Q195 WeakPolarHBondContact CD2-O 3.17Å; F193-Q195 PolarHBondContact O-N 2.96Å; F193-Q196 HydrophobicContact CE2-CG 4.44Å; F193-V217 HydrophobicContact CE1-CG2 4.25Å; F193-V217 HydrophobicContact CZ-CB 4.13Å; F193-V217 HydrophobicContact CZ-CG2 4.03Å |
| 194 | A | 86.4 | Confident | 86.2 | Confident | 118 Ų | 118 | 61.7 Ų | 61.7 | 98% | 0.975 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -68.8 | -32.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 195 | Q | 91.9 | Very high | 87.5 | Confident | 94 Ų | 94 | 62.7 Ų | 62.7 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -143.7 | 153.6 | -179.9 | 175.3 | -177.8 | 32.6 | 0 | 0 | 108.8 | F193 D199 | F193-Q195 VanDerWaalsContact C-N 3.31Å; F193-Q195 WeakPolarHBondContact CD2-O 3.17Å; F193-Q195 PolarHBondContact O-N 2.96Å; Q195-D199 HydrophobicContact CG-CB 3.8Å; Q195-D199 PolarHBondContact NE2-O 3.25Å; Q195-D199 VanDerWaalsContact NE2-O 3.16Å |
| 196 | Q | 94.5 | Very high | 88.9 | Confident | 43 Ų | 43 | 61 Ų | 61 | 20% | 0.201 | 33% | 0.334 | C | S | . | . | trans | -60 | 141.3 | 179.1 | -64 | -74.1 | -23.4 | 0 | 0 | 110.6 | F193 G198 D199 R216 V217 | F193-Q196 HydrophobicContact CE2-CG 4.44Å; Q196-G198 PolarHBondContact O-N 3.42Å; Q196-D199 WeakPolarHBondContact CB-OD2 3.44Å; Q196-D199 PolarHBondContact O-N 2.71Å; Q196-R216 HydrophobicContact CB-CG 3.93Å; Q196-R216 HydrophobicContact CG-CG 3.96Å; Q196-V217 PolarHBondContact NE2-O 3Å | ||
| 197 | P | 93.3 | Very high | 90.1 | Very high | 9 Ų | 9 | 59.3 Ų | 59.3 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -56.8 | -32.3 | -177.3 | -31.2 | 39.1 | 0 | 0 | 0 | 115 | D199 Q200 F203 R206 L214 Y319 | P197-D199 VanDerWaalsContact C-N 3.33Å; P197-Q200 WeakPolarHBondContact O-CB 3.3Å; P197-Q200 WeakPolarHBondContact O-CG 3.23Å; P197-F203 VanDerWaalsContact O-CD2 3.23Å; P197-F203 WeakPolarHBondContact O-CD2 3.37Å; P197-R206 PolarHBondContact O-NH2 2.92Å; P197-L214 HydrophobicContact CB-CB 4.48Å; P197-L214 WeakPolarHBondContact CB-O 3.2Å; P197-L214 HydrophobicContact CG-CB 4.48Å; P197-L214 HydrophobicContact CG-CD2 4.14Å; P197-L214 HydrophobicContact CG-CG 4.32Å; P197-Y319 HydrophobicContact CB-CE1 4.39Å; P197-Y319 HydrophobicContact CG-CD1 4.41Å; P197-Y319 HydrophobicContact CG-CE1 3.69Å |
| 198 | G | 92.5 | Very high | 91 | Very high | 16 Ų | 16 | 58.5 Ų | 58.5 | 17% | 0.165 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -73.8 | -18.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q196 E215 | Q196-G198 PolarHBondContact O-N 3.42Å; G198-E215 WeakPolarHBondContact CA-O 3.03Å; G198-E215 PolarHBondContact N-O 3.36Å |
| 199 | D | 93.8 | Very high | 91.6 | Very high | 78 Ų | 78 | 61.5 Ų | 61.5 | 42% | 0.417 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -95.3 | 1.7 | 179.2 | -51.5 | -23.2 | 0 | 0 | 0 | 111.5 | Q195 Q196 P197 R216 | Q195-D199 HydrophobicContact CG-CB 3.8Å; Q195-D199 PolarHBondContact NE2-O 3.25Å; Q195-D199 VanDerWaalsContact NE2-O 3.16Å; Q196-D199 WeakPolarHBondContact CB-OD2 3.44Å; Q196-D199 PolarHBondContact O-N 2.71Å; P197-D199 VanDerWaalsContact C-N 3.33Å; D199-R216 IonicContact OD1-NH1 2.69Å; D199-R216 PolarHBondContact OD1-NH1 3.48Å |
| 200 | Q | 92.3 | Very high | 91.9 | Very high | 69 Ų | 69 | 63.1 Ų | 63.1 | 32% | 0.322 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -70.5 | 140.8 | 172.8 | -65.2 | -57.4 | -54.2 | 0 | 0 | 110.2 | P197 E202 F203 | P197-Q200 WeakPolarHBondContact O-CB 3.3Å; P197-Q200 WeakPolarHBondContact O-CG 3.23Å; Q200-E202 VanDerWaalsContact C-N 3.26Å; Q200-E202 PolarHBondContact O-N 3.4Å; Q200-F203 WeakPolarHBondContact O-CB 3.34Å; Q200-F203 PolarHBondContact O-N 2.93Å; Q200-F203 VanDerWaalsContact O-N 3.1Å |
| 201 | P | 88.7 | Confident | 92.2 | Very high | 108 Ų | 108 | 60.3 Ų | 60.3 | 70% | 0.701 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -37 | -179.5 | 23.5 | -32.7 | 0 | 0 | 0 | 112.4 | F203 | P201-F203 PolarHBondContact O-N 3.13Š|
| 202 | E | 89.7 | Confident | 92.4 | Very high | 108 Ų | 108 | 59 Ų | 59 | 51% | 0.505 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 11.2 | -179.4 | -53.7 | -52.9 | 148.7 | 0 | 0 | 113.8 | Q200 L204 Q205 R206 | Q200-E202 VanDerWaalsContact C-N 3.26Å; Q200-E202 PolarHBondContact O-N 3.4Å; E202-L204 PolarHBondContact O-N 3.23Å; E202-Q205 PolarHBondContact O-N 3.3Å; E202-Q205 PolarHBondContact OE2-OE1 3.36Å; E202-R206 WeakPolarHBondContact O-CB 3.47Å; E202-R206 PolarHBondContact O-N 3.37Å |
| 203 | F | 92.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.5 | -43.7 | -175.1 | 173.6 | -101.3 | 0 | 0 | 0 | 112.6 | P197 Q200 P201 R206 L207 C213 L214 E215 Q229 | P197-F203 VanDerWaalsContact O-CD2 3.23Å; P197-F203 WeakPolarHBondContact O-CD2 3.37Å; Q200-F203 WeakPolarHBondContact O-CB 3.34Å; Q200-F203 PolarHBondContact O-N 2.93Å; Q200-F203 VanDerWaalsContact O-N 3.1Å; P201-F203 PolarHBondContact O-N 3.13Å; F203-R206 PolarHBondContact O-N 3.43Å; F203-L207 HydrophobicContact CE1-CD2 4.12Å; F203-L207 HydrophobicContact CZ-CD2 4.29Å; F203-L207 VanDerWaalsContact O-CB 3.29Å; F203-L207 WeakPolarHBondContact O-CB 3.42Å; F203-L207 PolarHBondContact O-N 3.49Å; F203-C213 HydrophobicContact CD2-CB 4.28Å; F203-C213 HydrophobicContact CE2-CB 3.58Å; F203-C213 HydrophobicContact CZ-CB 4.19Å; F203-L214 VanDerWaalsContact CE2-O 3.32Å; F203-L214 WeakPolarHBondContact CE2-O 3.23Å; F203-E215 HydrophobicContact CE2-CB 4.46Å; F203-E215 HydrophobicContact CZ-CB 4.15Å; F203-E215 HydrophobicContact CZ-CG 4.39Å; F203-Q229 HydrophobicContact CZ-CB 4.28Å; F203-Q229 HydrophobicContact CZ-CG 4.44Å |
| 204 | L | 92.3 | Very high | 93 | Very high | 48 Ų | 48 | 52.4 Ų | 52.4 | 25% | 0.251 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.5 | -41.2 | -178.3 | -62.5 | -177 | 0 | 0 | 0 | 112 | E202 L207 H208 K264 C266 F276 | E202-L204 PolarHBondContact O-N 3.23Å; L204-L207 PolarHBondContact O-N 2.88Å; L204-H208 WeakPolarHBondContact O-CB 3.04Å; L204-H208 PolarHBondContact O-N 2.95Å; L204-K264 HydrophobicContact CD2-CB 4.49Å; L204-K264 HydrophobicContact CD2-CD 3.5Å; L204-K264 VanDerWaalsContact CD2-CD 3.5Å; L204-C266 HydrophobicContact CB-CB 4.36Å; L204-F276 HydrophobicContact CB-CZ 4.43Å; L204-F276 HydrophobicContact CD2-CZ 4.48Å |
| 205 | Q | 91.4 | Very high | 93.4 | Very high | 101 Ų | 101 | 47.8 Ų | 47.8 | 47% | 0.472 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.3 | -49.1 | 174.8 | -179.6 | 173.9 | -1 | 0 | 0 | 110.4 | E202 L207 H208 E209 | E202-Q205 PolarHBondContact O-N 3.3Å; E202-Q205 PolarHBondContact OE2-OE1 3.36Å; Q205-L207 VanDerWaalsContact C-N 3.35Å; Q205-L207 PolarHBondContact O-N 3.15Å; Q205-H208 WeakPolarHBondContact O-CB 3.31Å; Q205-H208 PolarHBondContact O-N 2.76Å; Q205-H208 VanDerWaalsContact O-N 3.15Å; Q205-E209 HydrophobicContact CG-CG 4.49Å; Q205-E209 WeakPolarHBondContact CG-OE1 3.32Å; Q205-E209 PolarHBondContact NE2-OE1 2.96Å; Q205-E209 WeakPolarHBondContact O-CG 3.17Å; Q205-E209 PolarHBondContact O-N 2.68Å |
| 206 | R | 93 | Very high | 93.6 | Very high | 38 Ų | 38 | 47 Ų | 47 | 14% | 0.143 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.8 | -42.9 | 178.4 | -167.5 | 178.3 | 68.7 | -114.2 | 1.9 | 112.1 | P197 E202 F203 H208 E209 Q210 C213 | P197-R206 PolarHBondContact O-NH2 2.92Å; E202-R206 WeakPolarHBondContact O-CB 3.47Å; E202-R206 PolarHBondContact O-N 3.37Å; F203-R206 PolarHBondContact O-N 3.43Å; R206-H208 VanDerWaalsContact C-N 3.32Å; R206-H208 PolarHBondContact O-N 3.01Å; R206-E209 PolarHBondContact O-N 3.37Å; R206-Q210 VanDerWaalsContact CG-CD 3.43Å; R206-Q210 HydrophobicContact CG-CG 4.05Å; R206-Q210 VanDerWaalsContact CG-OE1 3.31Å; R206-Q210 VanDerWaalsContact O-CB 3.29Å; R206-Q210 WeakPolarHBondContact O-CB 3.32Å; R206-Q210 PolarHBondContact O-N 3.02Å; R206-C213 PolarHBondContact NE-SG 2.99Å |
| 207 | L | 94.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.2 | -41 | 176.1 | 175.6 | 60.7 | 0 | 0 | 0 | 111.5 | F203 L204 Q205 K211 C213 Q229 F276 C278 | F203-L207 HydrophobicContact CE1-CD2 4.12Å; F203-L207 HydrophobicContact CZ-CD2 4.29Å; F203-L207 VanDerWaalsContact O-CB 3.29Å; F203-L207 WeakPolarHBondContact O-CB 3.42Å; F203-L207 PolarHBondContact O-N 3.49Å; L204-L207 PolarHBondContact O-N 2.88Å; Q205-L207 VanDerWaalsContact C-N 3.35Å; Q205-L207 PolarHBondContact O-N 3.15Å; L207-K211 WeakPolarHBondContact O-CA 2.95Å; L207-K211 PolarHBondContact O-N 2.94Å; L207-C213 HydrophobicContact CB-CB 4.24Å; L207-C213 HydrophobicContact CD1-CB 4.08Å; L207-Q229 HydrophobicContact CD1-CB 4.07Å; L207-Q229 VanDerWaalsContact CD1-O 3.29Å; L207-Q229 WeakPolarHBondContact CD1-O 3.25Å; L207-Q229 HydrophobicContact CD2-CB 3.83Å; L207-F276 HydrophobicContact CD2-CE2 4.29Å; L207-C278 HydrophobicContact CD2-CB 4.48Å |
| 208 | H | 92.2 | Very high | 93.6 | Very high | 58 Ų | 58 | 47.9 Ų | 47.9 | 27% | 0.269 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66 | -41.3 | 177 | -176.4 | -102.8 | 0 | 0 | 0 | 111.8 | L204 Q205 R206 K211 F276 | L204-H208 WeakPolarHBondContact O-CB 3.04Å; L204-H208 PolarHBondContact O-N 2.95Å; Q205-H208 WeakPolarHBondContact O-CB 3.31Å; Q205-H208 PolarHBondContact O-N 2.76Å; Q205-H208 VanDerWaalsContact O-N 3.15Å; R206-H208 VanDerWaalsContact C-N 3.32Å; R206-H208 PolarHBondContact O-N 3.01Å; H208-K211 WeakPolarHBondContact O-CD 3.4Å; H208-K211 VanDerWaalsContact O-CE 3.31Å; H208-K211 WeakPolarHBondContact O-CE 3.32Å; H208-K211 PolarHBondContact O-NZ 3.18Å; H208-F276 HydrophobicContact CB-CZ 4.48Å |
| 209 | E | 92.3 | Very high | 93.5 | Very high | 117 Ų | 117 | 49 Ų | 49 | 55% | 0.547 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -72.7 | -51.6 | 179.3 | -71 | 173.9 | -172.4 | 0 | 0 | 112.4 | Q205 R206 | Q205-E209 HydrophobicContact CG-CG 4.49Å; Q205-E209 WeakPolarHBondContact CG-OE1 3.32Å; Q205-E209 PolarHBondContact NE2-OE1 2.96Å; Q205-E209 WeakPolarHBondContact O-CG 3.17Å; Q205-E209 PolarHBondContact O-N 2.68Å; R206-E209 PolarHBondContact O-N 3.37Å |
| 210 | Q | 94 | Very high | 92.8 | Very high | 47 Ų | 47 | 50.9 Ų | 50.9 | 22% | 0.22 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -85.2 | -10.9 | -173.4 | -61.6 | -177.4 | -13.8 | 0 | 0 | 113.5 | R206 V212 D315 | R206-Q210 VanDerWaalsContact CG-CD 3.43Å; R206-Q210 HydrophobicContact CG-CG 4.05Å; R206-Q210 VanDerWaalsContact CG-OE1 3.31Å; R206-Q210 VanDerWaalsContact O-CB 3.29Å; R206-Q210 WeakPolarHBondContact O-CB 3.32Å; R206-Q210 PolarHBondContact O-N 3.02Å; Q210-V212 PolarHBondContact O-N 3.46Å; Q210-D315 PolarHBondContact NE2-OD1 2.84Å |
| 211 | K | 95.8 | Very high | 91.8 | Very high | 43 Ų | 43 | 53.3 Ų | 53.3 | 19% | 0.187 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 64.8 | -12.9 | -178.8 | -44.3 | -58 | 174.9 | -168.4 | 0 | 115.5 | L207 H208 V230 L231 Y303 Y310 | L207-K211 WeakPolarHBondContact O-CA 2.95Å; L207-K211 PolarHBondContact O-N 2.94Å; H208-K211 WeakPolarHBondContact O-CD 3.4Å; H208-K211 VanDerWaalsContact O-CE 3.31Å; H208-K211 WeakPolarHBondContact O-CE 3.32Å; H208-K211 PolarHBondContact O-NZ 3.18Å; K211-V230 CarbonylContact O-C 3.59Å; K211-V230 VanDerWaalsContact O-CA 3.28Å; K211-V230 WeakPolarHBondContact O-CA 3.23Å; K211-L231 HydrophobicContact CB-CB 4.31Å; K211-L231 HydrophobicContact CD-CB 4.26Å; K211-L231 HydrophobicContact CD-CD2 3.53Å; K211-L231 PolarHBondContact O-N 3.28Å; K211-Y303 HydrophobicContact CB-CD1 4.29Å; K211-Y303 HydrophobicContact CB-CE1 4.35Å; K211-Y310 HydrophobicContact CB-CD1 3.9Å; K211-Y310 HydrophobicContact CB-CD2 4.09Å; K211-Y310 HydrophobicContact CB-CE1 4.25Å; K211-Y310 HydrophobicContact CB-CE2 4.42Å; K211-Y310 HydrophobicContact CB-CG 3.81Å; K211-Y310 HydrophobicContact CG-CD1 3.6Å; K211-Y310 HydrophobicContact CG-CD2 4.37Å; K211-Y310 HydrophobicContact CG-CE1 3.54Å; K211-Y310 HydrophobicContact CG-CE2 4.32Å; K211-Y310 HydrophobicContact CG-CG 4.03Å |
| 212 | V | 97.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 136 | 175.3 | 53.7 | 0 | 0 | 0 | 0 | 108.5 | Q210 T228 Q229 V230 I301 Y303 D312 | Q210-V212 PolarHBondContact O-N 3.46Å; V212-T228 HydrophobicContact CG2-CG2 3.72Å; V212-Q229 WeakPolarHBondContact CA-O 3.5Å; V212-V230 HydrophobicContact CB-CG1 4.06Å; V212-V230 HydrophobicContact CG2-CG1 3.85Å; V212-I301 HydrophobicContact CG2-CB 4.29Å; V212-I301 HydrophobicContact CG2-CG2 3.76Å; V212-Y303 HydrophobicContact CB-CD1 4.19Å; V212-Y303 HydrophobicContact CB-CG 4.37Å; V212-D312 HydrophobicContact CG1-CB 4.08Å; V212-D312 HydrophobicContact CG2-CB 4.34Å |
| 213 | C | 96.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 138.4 | 172.3 | -82.7 | 0 | 0 | 0 | 0 | 110.5 | F203 R206 L207 E215 T228 Q229 D312 | F203-C213 HydrophobicContact CD2-CB 4.28Å; F203-C213 HydrophobicContact CE2-CB 3.58Å; F203-C213 HydrophobicContact CZ-CB 4.19Å; R206-C213 PolarHBondContact NE-SG 2.99Å; L207-C213 HydrophobicContact CB-CB 4.24Å; L207-C213 HydrophobicContact CD1-CB 4.08Å; C213-E215 PolarHBondContact O-N 3.25Å; C213-T228 WeakPolarHBondContact O-CG2 3.48Å; C213-Q229 PolarHBondContact N-O 3.43Å; C213-Q229 PolarHBondContact O-N 2.94Å; C213-D312 VanDerWaalsContact CA-OD2 3.22Å; C213-D312 WeakPolarHBondContact CA-OD2 3.48Å |
| 214 | L | 97.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 132.8 | 164 | -173.1 | 62.6 | 0 | 0 | 0 | 108.8 | P197 F203 V217 I227 F283 F299 I301 D312 Y319 | P197-L214 HydrophobicContact CB-CB 4.48Å; P197-L214 WeakPolarHBondContact CB-O 3.2Å; P197-L214 HydrophobicContact CG-CB 4.48Å; P197-L214 HydrophobicContact CG-CD2 4.14Å; P197-L214 HydrophobicContact CG-CG 4.32Å; F203-L214 VanDerWaalsContact CE2-O 3.32Å; F203-L214 WeakPolarHBondContact CE2-O 3.23Å; L214-V217 HydrophobicContact CD1-CG2 4.12Å; L214-V217 HydrophobicContact CD2-CG2 3.57Å; L214-V217 HydrophobicContact CG-CG2 4.21Å; L214-I227 WeakPolarHBondContact CD1-O 3.18Å; L214-F283 HydrophobicContact CD1-CE1 4Å; L214-F283 HydrophobicContact CD1-CZ 4.07Å; L214-F299 HydrophobicContact CD1-CE2 4.32Å; L214-F299 HydrophobicContact CD2-CE2 3.77Å; L214-F299 HydrophobicContact CD2-CZ 3.75Å; L214-I301 HydrophobicContact CB-CD1 3.62Å; L214-I301 HydrophobicContact CD1-CD1 3.89Å; L214-I301 HydrophobicContact CG-CD1 4.26Å; L214-D312 PolarHBondContact N-OD2 3.06Å; L214-Y319 HydrophobicContact CB-CD2 4.36Å; L214-Y319 HydrophobicContact CB-CE1 4.12Å; L214-Y319 HydrophobicContact CB-CE2 3.63Å; L214-Y319 VanDerWaalsContact CB-CZ 3.49Å; L214-Y319 HydrophobicContact CD2-CD1 3.46Å; L214-Y319 VanDerWaalsContact CD2-CD1 3.46Å; L214-Y319 HydrophobicContact CD2-CD2 3.68Å; L214-Y319 HydrophobicContact CD2-CE1 3.56Å; L214-Y319 HydrophobicContact CD2-CE2 3.74Å; L214-Y319 HydrophobicContact CD2-CG 3.52Å; L214-Y319 HydrophobicContact CG-CE1 4.45Å; L214-Y319 HydrophobicContact CG-CE2 4.37Å |
| 215 | E | 96.1 | Very high | 90.5 | Very high | 20 Ų | 20 | 50.8 Ų | 50.8 | 9% | 0.093 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -54.5 | 174.9 | -179.9 | 179.3 | -160.9 | 0 | 0 | 110.1 | G198 F203 C213 I227 Q229 | G198-E215 WeakPolarHBondContact CA-O 3.03Å; G198-E215 PolarHBondContact N-O 3.36Å; F203-E215 HydrophobicContact CE2-CB 4.46Å; F203-E215 HydrophobicContact CZ-CB 4.15Å; F203-E215 HydrophobicContact CZ-CG 4.39Å; C213-E215 PolarHBondContact O-N 3.25Å; E215-I227 WeakPolarHBondContact CA-O 3.37Å; E215-I227 HydrophobicContact CB-CG2 4.36Å; E215-I227 WeakPolarHBondContact CB-O 3.41Å; E215-I227 PolarHBondContact N-O 3.23Å; E215-I227 WeakPolarHBondContact OE2-CG2 3.36Å; E215-Q229 HydrophobicContact CB-CG 4.34Å; E215-Q229 PolarHBondContact OE1-NE2 3.46Å; E215-Q229 PolarHBondContact OE2-NE2 3.49Å |
| 216 | R | 95.8 | Very high | 90.8 | Very high | 77 Ų | 77 | 46 Ų | 46 | 29% | 0.291 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 150.4 | -175.5 | -90 | -178.5 | -72.6 | -77.5 | -4 | 112.7 | Q196 D199 G226 I227 | Q196-R216 HydrophobicContact CB-CG 3.93Å; Q196-R216 HydrophobicContact CG-CG 3.96Å; D199-R216 IonicContact OD1-NH1 2.69Å; D199-R216 PolarHBondContact OD1-NH1 3.48Å; R216-G226 CarbonylContact O-C 3.58Å; R216-G226 WeakPolarHBondContact O-CA 3.34Å; R216-I227 HydrophobicContact CB-CB 4.36Å; R216-I227 HydrophobicContact CB-CD1 4.39Å; R216-I227 PolarHBondContact N-O 3.38Å; R216-I227 PolarHBondContact O-N 3.46Å |
| 217 | V | 96.1 | Very high | 91 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.024 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 129.1 | 167.9 | -170.9 | 0 | 0 | 0 | 0 | 109.7 | F193 Q196 L214 I224 F299 L321 | F193-V217 HydrophobicContact CE1-CG2 4.25Å; F193-V217 HydrophobicContact CZ-CB 4.13Å; F193-V217 HydrophobicContact CZ-CG2 4.03Å; Q196-V217 PolarHBondContact NE2-O 3Å; L214-V217 HydrophobicContact CD1-CG2 4.12Å; L214-V217 HydrophobicContact CD2-CG2 3.57Å; L214-V217 HydrophobicContact CG-CG2 4.21Å; V217-I224 HydrophobicContact CG1-CG2 3.61Å; V217-F299 HydrophobicContact CG2-CZ 3.86Å; V217-L321 HydrophobicContact CG1-CD1 4.25Å; V217-L321 HydrophobicContact CG1-CD2 4.16Å |
| 218 | L | 92.8 | Very high | 91.1 | Very high | 68 Ų | 68 | 45.9 Ų | 45.9 | 36% | 0.356 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 119.6 | 176.6 | -54 | 175.4 | 0 | 0 | 0 | 108.2 | F220 I224 I225 I227 | L218-F220 HydrophobicContact CB-CD2 4.33Å; L218-F220 HydrophobicContact CB-CE2 3.39Å; L218-F220 HydrophobicContact CB-CZ 3.65Å; L218-F220 HydrophobicContact CD1-CE2 4.3Å; L218-F220 HydrophobicContact CD1-CZ 4.11Å; L218-F220 HydrophobicContact CG-CE2 4.48Å; L218-F220 HydrophobicContact CG-CZ 4.45Å; L218-I224 WeakPolarHBondContact O-CA 3.11Å; L218-I225 HydrophobicContact CB-CB 4.35Å; L218-I225 PolarHBondContact N-O 3.23Å; L218-I225 PolarHBondContact O-N 3.44Å; L218-I227 HydrophobicContact CD1-CD1 4.5Å |
| 219 | C | 89 | Confident | 91.4 | Very high | 40 Ų | 40 | 43.4 Ų | 43.4 | 27% | 0.27 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 123.1 | 178.1 | -61.6 | 0 | 0 | 0 | 0 | 109.1 | L189 | L189-C219 WeakPolarHBondContact O-CB 3.2Å |
| 220 | F | 80.3 | Confident | 91.6 | Very high | 116 Ų | 116 | 37.8 Ų | 37.8 | 51% | 0.509 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 165.6 | 176.4 | -53.4 | -82.2 | 0 | 0 | 0 | 109.5 | L218 L222 G223 I225 | L218-F220 HydrophobicContact CB-CD2 4.33Å; L218-F220 HydrophobicContact CB-CE2 3.39Å; L218-F220 HydrophobicContact CB-CZ 3.65Å; L218-F220 HydrophobicContact CD1-CE2 4.3Å; L218-F220 HydrophobicContact CD1-CZ 4.11Å; L218-F220 HydrophobicContact CG-CE2 4.48Å; L218-F220 HydrophobicContact CG-CZ 4.45Å; F220-L222 PolarHBondContact O-N 3.31Å; F220-G223 PolarHBondContact N-O 3.36Å; F220-G223 PolarHBondContact O-N 3Å; F220-G223 VanDerWaalsContact O-O 3.13Å; F220-I225 HydrophobicContact CD2-CD1 3.97Å; F220-I225 HydrophobicContact CE2-CB 4.28Å; F220-I225 HydrophobicContact CE2-CD1 3.6Å; F220-I225 HydrophobicContact CE2-CG1 4.28Å |
| 221 | E | 69.8 | Low | 91.7 | Very high | 121 Ų | 121 | 36.2 Ų | 36.2 | 57% | 0.565 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -36.3 | 177.2 | -65.6 | 174.8 | -175 | 0 | 0 | 112.4 | ||
| 222 | L | 68.6 | Low | 91.7 | Very high | 174 Ų | 174 | 36.7 Ų | 36.7 | 91% | 0.911 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -4.2 | -173.8 | -62.1 | 171.7 | 0 | 0 | 0 | 113.9 | F220 | F220-L222 PolarHBondContact O-N 3.31Š|
| 223 | G | 80.2 | Confident | 91.6 | Very high | 15 Ų | 15 | 40.5 Ų | 40.5 | 16% | 0.155 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170 | 165.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | F220 | F220-G223 PolarHBondContact N-O 3.36Å; F220-G223 PolarHBondContact O-N 3Å; F220-G223 VanDerWaalsContact O-O 3.13Å |
| 224 | I | 92.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 130.1 | 172.4 | -54.9 | 142.7 | 0 | 0 | 0 | 107.9 | L189 V217 L218 H284 L285 V287 L297 L321 | L189-I224 HydrophobicContact CD1-CD1 3.53Å; L189-I224 HydrophobicContact CD1-CG1 3.84Å; V217-I224 HydrophobicContact CG1-CG2 3.61Å; L218-I224 WeakPolarHBondContact O-CA 3.11Å; I224-H284 CarbonylContact O-C 3.54Å; I224-H284 VanDerWaalsContact O-CA 3.31Å; I224-H284 WeakPolarHBondContact O-CA 3.4Å; I224-L285 HydrophobicContact CB-CB 4.14Å; I224-L285 HydrophobicContact CD1-CB 3.87Å; I224-L285 PolarHBondContact N-O 3.1Å; I224-L285 PolarHBondContact O-N 3.42Å; I224-V287 HydrophobicContact CD1-CG2 3.75Å; I224-V287 HydrophobicContact CG1-CG2 3.74Å; I224-L297 HydrophobicContact CD1-CD2 3.35Å; I224-L321 HydrophobicContact CB-CD1 4.48Å; I224-L321 HydrophobicContact CD1-CD1 3.86Å; I224-L321 HydrophobicContact CG1-CD1 3.95Å; I224-L321 HydrophobicContact CG2-CD1 3.72Å |
| 225 | I | 95.4 | Very high | 91.3 | Very high | 27 Ų | 27 | 53.1 Ų | 53.1 | 14% | 0.138 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 125.5 | 173.6 | -68.8 | 162 | 0 | 0 | 0 | 107.9 | L218 F220 R282 F283 H284 | L218-I225 HydrophobicContact CB-CB 4.35Å; L218-I225 PolarHBondContact N-O 3.23Å; L218-I225 PolarHBondContact O-N 3.44Å; F220-I225 HydrophobicContact CD2-CD1 3.97Å; F220-I225 HydrophobicContact CE2-CB 4.28Å; F220-I225 HydrophobicContact CE2-CD1 3.6Å; F220-I225 HydrophobicContact CE2-CG1 4.28Å; I225-R282 HydrophobicContact CG2-CG 3.86Å; I225-R282 VanDerWaalsContact CG2-NH1 3.34Å; I225-F283 WeakPolarHBondContact CA-O 3.32Å; I225-H284 WeakPolarHBondContact CG1-ND1 3.22Å |
| 226 | G | 96.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 142.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R216 R282 F283 | R216-G226 CarbonylContact O-C 3.58Å; R216-G226 WeakPolarHBondContact O-CA 3.34Å; G226-R282 WeakPolarHBondContact O-CA 3.48Å; G226-F283 VanDerWaalsContact CA-CZ 3.49Å; G226-F283 PolarHBondContact N-O 3.33Å; G226-F283 PolarHBondContact O-N 3.16Å |
| 227 | I | 97.6 | Very high | 91.4 | Very high | 36 Ų | 36 | 58 Ų | 58 | 19% | 0.185 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 122.6 | 174 | -55.5 | 175.5 | 0 | 0 | 0 | 106.5 | L214 E215 R216 L218 T280 F281 | L214-I227 WeakPolarHBondContact CD1-O 3.18Å; E215-I227 WeakPolarHBondContact CA-O 3.37Å; E215-I227 HydrophobicContact CB-CG2 4.36Å; E215-I227 WeakPolarHBondContact CB-O 3.41Å; E215-I227 PolarHBondContact N-O 3.23Å; E215-I227 WeakPolarHBondContact OE2-CG2 3.36Å; R216-I227 HydrophobicContact CB-CB 4.36Å; R216-I227 HydrophobicContact CB-CD1 4.39Å; R216-I227 PolarHBondContact N-O 3.38Å; R216-I227 PolarHBondContact O-N 3.46Å; L218-I227 HydrophobicContact CD1-CD1 4.5Å; I227-T280 HydrophobicContact CG2-CG2 3.58Å; I227-F281 WeakPolarHBondContact CA-O 3.34Å |
| 228 | T | 97.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 145.3 | -178.1 | -58.7 | 0 | 0 | 0 | 0 | 109.2 | V212 C213 V230 T280 F281 F283 I301 | V212-T228 HydrophobicContact CG2-CG2 3.72Å; C213-T228 WeakPolarHBondContact O-CG2 3.48Å; T228-V230 HydrophobicContact CG2-CG1 4.29Å; T228-T280 CarbonylContact O-C 3.58Å; T228-T280 WeakPolarHBondContact O-CA 3.34Å; T228-F281 PolarHBondContact N-O 3.12Å; T228-F281 PolarHBondContact O-N 2.92Å; T228-F283 WeakPolarHBondContact OG1-CE1 3.34Å; T228-I301 HydrophobicContact CG2-CD1 3.98Å; T228-I301 HydrophobicContact CG2-CG2 3.97Å; T228-I301 WeakPolarHBondContact OG1-CD1 3.29Å |
| 229 | Q | 97.3 | Very high | 91.7 | Very high | 5 Ų | 5 | 57.8 Ų | 57.8 | 2% | 0.023 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 140.7 | 167.4 | -69.3 | -178.5 | 11.5 | 0 | 0 | 110.9 | F203 L207 V212 C213 E215 K264 D279 | F203-Q229 HydrophobicContact CZ-CB 4.28Å; F203-Q229 HydrophobicContact CZ-CG 4.44Å; L207-Q229 HydrophobicContact CD1-CB 4.07Å; L207-Q229 VanDerWaalsContact CD1-O 3.29Å; L207-Q229 WeakPolarHBondContact CD1-O 3.25Å; L207-Q229 HydrophobicContact CD2-CB 3.83Å; V212-Q229 WeakPolarHBondContact CA-O 3.5Å; C213-Q229 PolarHBondContact N-O 3.43Å; C213-Q229 PolarHBondContact O-N 2.94Å; E215-Q229 HydrophobicContact CB-CG 4.34Å; E215-Q229 PolarHBondContact OE1-NE2 3.46Å; E215-Q229 PolarHBondContact OE2-NE2 3.49Å; Q229-K264 VanDerWaalsContact CD-NZ 3.31Å; Q229-K264 VanDerWaalsContact NE2-NZ 3.18Å; Q229-D279 CarbonylContact C-O 3.56Å; Q229-D279 WeakPolarHBondContact CA-O 3.45Å |
| 230 | V | 97.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 146.3 | 174 | -59.7 | 0 | 0 | 0 | 0 | 110 | K211 V212 T228 N232 K237 V239 C278 D279 F281 Y303 | K211-V230 CarbonylContact O-C 3.59Å; K211-V230 VanDerWaalsContact O-CA 3.28Å; K211-V230 WeakPolarHBondContact O-CA 3.23Å; V212-V230 HydrophobicContact CB-CG1 4.06Å; V212-V230 HydrophobicContact CG2-CG1 3.85Å; T228-V230 HydrophobicContact CG2-CG1 4.29Å; V230-N232 PolarHBondContact O-N 3.49Å; V230-K237 HydrophobicContact CG2-CD 4.05Å; V230-V239 HydrophobicContact CG1-CG2 3.83Å; V230-C278 CarbonylContact O-C 3.6Å; V230-C278 VanDerWaalsContact O-CA 3.23Å; V230-C278 WeakPolarHBondContact O-CA 3.14Å; V230-D279 HydrophobicContact CG2-CB 3.83Å; V230-D279 PolarHBondContact N-O 3.49Å; V230-D279 PolarHBondContact O-N 2.92Å; V230-F281 HydrophobicContact CG2-CD2 3.68Å; V230-F281 HydrophobicContact CG2-CE2 3.48Å; V230-F281 VanDerWaalsContact CG2-CE2 3.48Å; V230-Y303 HydrophobicContact CB-CD1 3.94Å; V230-Y303 HydrophobicContact CB-CD2 4.3Å; V230-Y303 HydrophobicContact CB-CE1 3.81Å; V230-Y303 HydrophobicContact CB-CE2 4.21Å; V230-Y303 HydrophobicContact CB-CG 4.17Å; V230-Y303 HydrophobicContact CG1-CD1 4.02Å; V230-Y303 HydrophobicContact CG1-CD2 4.07Å; V230-Y303 HydrophobicContact CG1-CE1 4.38Å; V230-Y303 HydrophobicContact CG1-CE2 4.45Å; V230-Y303 HydrophobicContact CG1-CG 3.83Å; V230-Y303 HydrophobicContact CG2-CE1 4.5Å; V230-Y303 HydrophobicContact CG2-CE2 4.23Å |
| 231 | L | 96.3 | Very high | 92.9 | Very high | 13 Ų | 13 | 51.3 Ų | 51.3 | 7% | 0.068 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 128.7 | 173.6 | -167.2 | 66.7 | 0 | 0 | 0 | 109.2 | K211 L233 F276 Y303 | K211-L231 HydrophobicContact CB-CB 4.31Å; K211-L231 HydrophobicContact CD-CB 4.26Å; K211-L231 HydrophobicContact CD-CD2 3.53Å; K211-L231 PolarHBondContact O-N 3.28Å; L231-L233 HydrophobicContact CB-CG 4.42Å; L231-L233 HydrophobicContact CD2-CD2 3.79Å; L231-L233 HydrophobicContact CD2-CG 4.35Å; L231-L233 HydrophobicContact CG-CD2 4.11Å; L231-L233 HydrophobicContact CG-CG 4.35Å; L231-L233 PolarHBondContact O-N 3.42Å; L231-F276 HydrophobicContact CD1-CB 4.12Å; L231-F276 HydrophobicContact CD1-CD2 3.31Å; L231-F276 HydrophobicContact CD1-CE2 4.03Å; L231-F276 HydrophobicContact CD1-CG 4.08Å; L231-Y303 PolarHBondContact O-OH 3.08Å |
| 232 | N | 95.4 | Very high | 94.2 | Very high | 54 Ų | 54 | 49.7 Ų | 49.7 | 29% | 0.289 | 24% | 0.242 | S | C | . | . | trans | -78.6 | 85.8 | -177.4 | 178.9 | 25.2 | 0 | 0 | 0 | 110.7 | V230 K237 S277 | V230-N232 PolarHBondContact O-N 3.49Å; N232-K237 VanDerWaalsContact OD1-CE 3.25Å; N232-K237 WeakPolarHBondContact OD1-CE 3.34Å; N232-K237 PolarHBondContact OD1-NZ 3.42Å; N232-S277 VanDerWaalsContact CB-O 3.32Å; N232-S277 WeakPolarHBondContact CB-O 3.49Å; N232-S277 WeakPolarHBondContact CB-OG 3.46Å; N232-S277 PolarHBondContact N-O 3.4Å; N232-S277 PolarHBondContact ND2-OG 2.88Å | ||
| 233 | L | 94.5 | Very high | 95.5 | Very high | 80 Ų | 80 | 42.5 Ų | 42.5 | 42% | 0.419 | 20% | 0.203 | S | C | . | . | trans | -90.7 | -34.5 | -178.2 | -65.7 | 178.9 | 0 | 0 | 0 | 113.3 | L231 V305 Y310 | L231-L233 HydrophobicContact CB-CG 4.42Å; L231-L233 HydrophobicContact CD2-CD2 3.79Å; L231-L233 HydrophobicContact CD2-CG 4.35Å; L231-L233 HydrophobicContact CG-CD2 4.11Å; L231-L233 HydrophobicContact CG-CG 4.35Å; L231-L233 PolarHBondContact O-N 3.42Å; L233-V305 HydrophobicContact CB-CG1 4.31Å; L233-V305 HydrophobicContact CB-CG2 4.09Å; L233-V305 HydrophobicContact CD1-CG1 3.92Å; L233-Y310 HydrophobicContact CD1-CE2 4.23Å | ||
| 234 | D | 95.1 | Very high | 96.2 | Very high | 71 Ų | 71 | 41.9 Ų | 41.9 | 38% | 0.38 | 20% | 0.196 | S | C | . | . | trans | -153.7 | 160.7 | 179.4 | -169.2 | -90.2 | 0 | 0 | 0 | 110.5 | E236 K237 V305 C306 | D234-E236 PolarHBondContact OD1-N 3.3Å; D234-K237 WeakPolarHBondContact O-CE 3.44Å; D234-K237 VanDerWaalsContact O-CG 3.31Å; D234-K237 WeakPolarHBondContact O-CG 3.37Å; D234-K237 PolarHBondContact O-NZ 2.7Å; D234-V305 HydrophobicContact CB-CG2 3.64Å; D234-C306 WeakPolarHBondContact CB-SG 3.27Å | ||
| 235 | F | 93.9 | Very high | 96.1 | Very high | 194 Ų | 194 | 44.8 Ų | 44.8 | 85% | 0.851 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -63.5 | -40.3 | 177.1 | 179.5 | -100 | 0 | 0 | 0 | 112.4 | K237 | F235-K237 PolarHBondContact O-N 3.44Š|
| 236 | E | 96.5 | Very high | 95.8 | Very high | 162 Ų | 162 | 46.3 Ų | 46.3 | 76% | 0.757 | 22% | 0.219 | S | C | * | . | trans | -85.5 | 102.1 | -175.5 | -150.7 | 171.3 | -145.8 | 0 | 0 | 110.6 | D234 | D234-E236 PolarHBondContact OD1-N 3.3Š| ||
| 237 | K | 95.6 | Very high | 95.5 | Very high | 36 Ų | 36 | 53.3 Ų | 53.3 | 16% | 0.157 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 132.1 | -175.1 | -60.1 | -173.3 | -170.2 | 76.4 | 0 | 110.7 | V230 N232 D234 F235 D279 F281 Y303 V305 | V230-K237 HydrophobicContact CG2-CD 4.05Å; N232-K237 VanDerWaalsContact OD1-CE 3.25Å; N232-K237 WeakPolarHBondContact OD1-CE 3.34Å; N232-K237 PolarHBondContact OD1-NZ 3.42Å; D234-K237 WeakPolarHBondContact O-CE 3.44Å; D234-K237 VanDerWaalsContact O-CG 3.31Å; D234-K237 WeakPolarHBondContact O-CG 3.37Å; D234-K237 PolarHBondContact O-NZ 2.7Å; F235-K237 PolarHBondContact O-N 3.44Å; K237-D279 WeakPolarHBondContact CE-OD2 3.15Å; K237-D279 IonicContact NZ-OD2 3.89Å; K237-D279 PolarHBondContact NZ-OD2 3.16Å; K237-F281 HydrophobicContact CB-CZ 4.01Å; K237-F281 HydrophobicContact CD-CE2 4.15Å; K237-F281 HydrophobicContact CD-CZ 4.22Å; K237-Y303 HydrophobicContact CB-CE2 3.9Å; K237-Y303 HydrophobicContact CD-CE2 3.95Å; K237-Y303 WeakPolarHBondContact CD-OH 3.5Å; K237-Y303 HydrophobicContact CG-CE2 3.9Å; K237-V305 HydrophobicContact CG-CG2 4.37Å |
| 238 | E | 97.6 | Very high | 95.2 | Very high | 66 Ų | 66 | 55.7 Ų | 55.7 | 31% | 0.308 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 119 | 169.2 | -178.4 | 172.3 | -125 | 0 | 0 | 109.1 | E240 K255 K304 | E238-E240 HydrophobicContact CG-CG 3.87Å; E238-K255 IonicContact OE1-NZ 2.74Å; E238-K255 PolarHBondContact OE1-NZ 3.27Å; E238-K304 HydrophobicContact CB-CB 4.29Å; E238-K304 PolarHBondContact N-O 3.28Å; E238-K304 PolarHBondContact O-N 3.17Å; E238-K304 IonicContact OE2-NZ 2.95Å; E238-K304 PolarHBondContact OE2-NZ 3.2Å |
| 239 | V | 98 | Very high | 94.9 | Very high | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 120.3 | 176 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | V230 A256 F281 I301 Q302 Y303 | V230-V239 HydrophobicContact CG1-CG2 3.83Å; V239-A256 HydrophobicContact CB-CB 3.98Å; V239-A256 HydrophobicContact CG1-CB 3.78Å; V239-A256 PolarHBondContact O-N 3.3Å; V239-F281 HydrophobicContact CB-CB 4.49Å; V239-F281 HydrophobicContact CB-CD1 3.88Å; V239-F281 HydrophobicContact CB-CE1 4.26Å; V239-F281 HydrophobicContact CB-CG 4.11Å; V239-F281 HydrophobicContact CG1-CB 4.34Å; V239-F281 HydrophobicContact CG1-CG 4.46Å; V239-F281 HydrophobicContact CG2-CD1 3.81Å; V239-F281 HydrophobicContact CG2-CD2 3.9Å; V239-F281 HydrophobicContact CG2-CE1 3.9Å; V239-F281 HydrophobicContact CG2-CE2 3.98Å; V239-F281 HydrophobicContact CG2-CG 3.81Å; V239-F281 HydrophobicContact CG2-CZ 3.98Å; V239-I301 HydrophobicContact CG1-CG2 3.92Å; V239-Q302 WeakPolarHBondContact CA-O 3.28Å; V239-Y303 HydrophobicContact CG2-CD2 3.88Å |
| 240 | E | 97.9 | Very high | 94.7 | Very high | 20 Ų | 20 | 67.5 Ų | 67.5 | 9% | 0.093 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 143.8 | -177.3 | -61 | -173.8 | 135.6 | 0 | 0 | 109.8 | E238 K255 Q302 K304 | E238-E240 HydrophobicContact CG-CG 3.87Å; E240-K255 HydrophobicContact CG-CG 4.27Å; E240-K255 WeakPolarHBondContact OE1-CE 3.14Å; E240-K255 IonicContact OE1-NZ 2.62Å; E240-Q302 PolarHBondContact N-O 3.25Å; E240-Q302 PolarHBondContact O-N 3.02Å; E240-Q302 PolarHBondContact OE2-OE1 3.19Å; E240-K304 IonicContact OE2-NZ 2.79Å; E240-K304 PolarHBondContact OE2-NZ 3.44Å |
| 241 | V | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 119 | 176 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | E253 T254 F283 L285 F299 I301 | V241-E253 CarbonylContact O-C 3.59Å; V241-E253 VanDerWaalsContact O-CA 3.3Å; V241-E253 WeakPolarHBondContact O-CA 3.49Å; V241-T254 PolarHBondContact N-O 3.38Å; V241-T254 PolarHBondContact O-N 2.9Å; V241-F283 HydrophobicContact CB-CD2 4.28Å; V241-F283 HydrophobicContact CB-CE2 4.45Å; V241-F283 HydrophobicContact CB-CG 4.38Å; V241-F283 HydrophobicContact CG1-CD2 4.31Å; V241-F283 HydrophobicContact CG1-CE2 4.02Å; V241-F283 HydrophobicContact CG1-CZ 4.22Å; V241-F283 HydrophobicContact CG2-CB 3.97Å; V241-F283 HydrophobicContact CG2-CD1 3.46Å; V241-F283 VanDerWaalsContact CG2-CD1 3.46Å; V241-F283 HydrophobicContact CG2-CD2 3.8Å; V241-F283 HydrophobicContact CG2-CE1 3.7Å; V241-F283 HydrophobicContact CG2-CE2 4.05Å; V241-F283 HydrophobicContact CG2-CG 3.48Å; V241-F283 VanDerWaalsContact CG2-CG 3.48Å; V241-F283 HydrophobicContact CG2-CZ 3.97Å; V241-L285 HydrophobicContact CB-CD2 4.41Å; V241-L285 HydrophobicContact CG1-CD2 4.03Å; V241-F299 HydrophobicContact CG1-CB 3.97Å; V241-F299 HydrophobicContact CG1-CD2 3.81Å; V241-F299 HydrophobicContact CG1-CG 4.24Å; V241-I301 HydrophobicContact CG2-CG1 4.21Å; V241-I301 HydrophobicContact CG2-CG2 4.45Å |
| 242 | R | 96.8 | Very high | 94.5 | Very high | 87 Ų | 87 | 71.9 Ų | 71.9 | 33% | 0.328 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 126.5 | 173.6 | -168.1 | -179.9 | -91.4 | 162 | -6.6 | 108.7 | W248 A252 E253 F299 A300 W311 | R242-W248 HydrophobicContact CG-CZ3 3.94Å; R242-A252 CarbonylContact C-O 3.58Å; R242-A252 WeakPolarHBondContact CA-O 3.4Å; R242-E253 HydrophobicContact CB-CG 4.1Å; R242-E253 HydrophobicContact CG-CG 3.92Å; R242-E253 IonicContact CZ-OE1 3.09Å; R242-E253 IonicContact NE-OE1 2.84Å; R242-E253 PolarHBondContact NE-OE1 3.22Å; R242-E253 IonicContact NH2-OE1 2.64Å; R242-E253 PolarHBondContact NH2-OE1 2.95Å; R242-F299 CarbonylContact O-C 3.45Å; R242-F299 WeakPolarHBondContact O-CA 3.43Å; R242-F299 WeakPolarHBondContact O-CB 3.47Å; R242-A300 PolarHBondContact N-O 2.93Å; R242-A300 PolarHBondContact O-N 3.48Å; R242-W311 HydrophobicContact CB-CZ3 4.43Å |
| 243 | Y | 95.4 | Very high | 94.5 | Very high | 23 Ų | 23 | 73.6 Ų | 73.6 | 9% | 0.09 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 158.4 | -174.3 | 66.8 | -86.3 | 0 | 0 | 0 | 112.6 | F245 S251 A252 T254 L285 P286 L297 E298 | Y243-F245 HydrophobicContact CD2-CD2 4.45Å; Y243-F245 AromaticContact CD2-CE2 3.91Å; Y243-F245 HydrophobicContact CD2-CE2 3.91Å; Y243-F245 AromaticContact CE2-CE2 3.83Å; Y243-F245 HydrophobicContact CE2-CE2 3.83Å; Y243-S251 CarbonylContact O-C 3.49Å; Y243-S251 WeakPolarHBondContact O-CA 3.48Å; Y243-A252 VanDerWaalsContact CD1-O 3.29Å; Y243-A252 WeakPolarHBondContact CD1-O 3.31Å; Y243-A252 HydrophobicContact CD2-CB 4.41Å; Y243-A252 HydrophobicContact CE1-CB 3.89Å; Y243-A252 HydrophobicContact CE2-CB 3.76Å; Y243-A252 VanDerWaalsContact CZ-CB 3.47Å; Y243-A252 PolarHBondContact N-O 3.33Å; Y243-A252 PolarHBondContact O-N 2.78Å; Y243-T254 WeakPolarHBondContact CE1-OG1 3.38Å; Y243-L285 HydrophobicContact CD1-CD2 3.53Å; Y243-L285 HydrophobicContact CE1-CD2 3.9Å; Y243-L285 HydrophobicContact CG-CD2 3.96Å; Y243-P286 HydrophobicContact CE2-CG 4.15Å; Y243-P286 WeakPolarHBondContact OH-CG 3.45Å; Y243-L297 HydrophobicContact CD2-CD1 3.91Å; Y243-L297 HydrophobicContact CG-CD1 4.38Å; Y243-E298 CarbonylContact C-O 3.6Å; Y243-E298 WeakPolarHBondContact CA-O 3.37Å; Y243-E298 WeakPolarHBondContact CB-O 3.42Å |
| 244 | S | 94.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 71.6 Ų | 71.6 | 1% | 0.014 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 138.5 | -177.6 | 153.5 | 0 | 0 | 0 | 0 | 111.5 | T246 E247 W248 S250 L297 E298 | S244-T246 PolarHBondContact OG-N 3.42Å; S244-E247 PolarHBondContact OG-N 3.37Å; S244-W248 WeakPolarHBondContact OG-CA 3.47Å; S244-W248 PolarHBondContact OG-N 3.19Å; S244-S250 VanDerWaalsContact CB-O 3.24Å; S244-S250 WeakPolarHBondContact CB-O 3.25Å; S244-S250 PolarHBondContact OG-O 2.97Å; S244-L297 WeakPolarHBondContact O-CD1 3.38Å; S244-E298 PolarHBondContact N-O 3.36Å; S244-E298 PolarHBondContact O-N 3.31Å |
| 245 | F | 90.3 | Very high | 94.7 | Very high | 62 Ų | 62 | 74.4 Ų | 74.4 | 27% | 0.272 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -98.2 | 2.5 | 169.7 | -64.7 | -83.5 | 0 | 0 | 0 | 113.6 | Y243 P286 P288 L291 L297 | Y243-F245 HydrophobicContact CD2-CD2 4.45Å; Y243-F245 AromaticContact CD2-CE2 3.91Å; Y243-F245 HydrophobicContact CD2-CE2 3.91Å; Y243-F245 AromaticContact CE2-CE2 3.83Å; Y243-F245 HydrophobicContact CE2-CE2 3.83Å; F245-P286 WeakPolarHBondContact CZ-O 3.37Å; F245-P288 HydrophobicContact CD1-CG 4.34Å; F245-P288 HydrophobicContact CD2-CG 4.32Å; F245-P288 HydrophobicContact CE1-CG 3.95Å; F245-P288 HydrophobicContact CE2-CG 3.93Å; F245-P288 HydrophobicContact CZ-CG 3.76Å; F245-L291 HydrophobicContact CD1-CD2 4.12Å; F245-L291 HydrophobicContact CE1-CD2 4.18Å; F245-L297 HydrophobicContact CD1-CB 4Å; F245-L297 HydrophobicContact CD1-CD1 3.93Å; F245-L297 HydrophobicContact CD1-CG 4.46Å; F245-L297 HydrophobicContact CD2-CD1 4.21Å; F245-L297 HydrophobicContact CE1-CB 3.79Å; F245-L297 HydrophobicContact CE1-CD1 3.67Å; F245-L297 HydrophobicContact CE1-CD2 3.93Å; F245-L297 HydrophobicContact CE1-CG 4Å; F245-L297 HydrophobicContact CE2-CD1 3.95Å; F245-L297 HydrophobicContact CG-CD1 4.19Å; F245-L297 HydrophobicContact CZ-CD1 3.65Å; F245-L297 HydrophobicContact CZ-CD2 3.98Å; F245-L297 HydrophobicContact CZ-CG 4.28Å |
| 246 | T | 89.8 | Confident | 94.9 | Very high | 58 Ų | 58 | 65.8 Ų | 65.8 | 36% | 0.356 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -132 | 33.6 | -165.9 | 59.6 | 0 | 0 | 0 | 0 | 113.1 | S244 W248 K249 S250 | S244-T246 PolarHBondContact OG-N 3.42Å; T246-W248 VanDerWaalsContact C-N 3.26Å; T246-W248 PolarHBondContact O-N 3.48Å; T246-K249 WeakPolarHBondContact O-CB 3.48Å; T246-K249 WeakPolarHBondContact O-CG 3.43Å; T246-K249 PolarHBondContact O-N 2.84Å; T246-K249 VanDerWaalsContact O-N 3.16Å; T246-S250 WeakPolarHBondContact OG1-CB 3.27Å; T246-S250 PolarHBondContact OG1-N 3.2Å; T246-S250 PolarHBondContact OG1-O 2.71Å |
| 247 | E | 89.7 | Confident | 95 | Very high | 147 Ų | 147 | 62 Ų | 62 | 69% | 0.687 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 44.3 | -178.2 | -58.1 | 165.5 | -130 | 0 | 0 | 112 | S244 K249 | S244-E247 PolarHBondContact OG-N 3.37Å; E247-K249 PolarHBondContact O-N 2.93Å |
| 248 | W | 92.6 | Very high | 95.1 | Very high | 87 Ų | 87 | 67.2 Ų | 67.2 | 33% | 0.33 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 10.5 | 179 | -56.1 | 94.6 | 0 | 0 | 0 | 116.4 | R242 S244 T246 S250 E298 A300 N318 | R242-W248 HydrophobicContact CG-CZ3 3.94Å; S244-W248 WeakPolarHBondContact OG-CA 3.47Å; S244-W248 PolarHBondContact OG-N 3.19Å; T246-W248 VanDerWaalsContact C-N 3.26Å; T246-W248 PolarHBondContact O-N 3.48Å; W248-S250 VanDerWaalsContact C-N 3.31Å; W248-E298 HydrophobicContact CZ2-CB 3.97Å; W248-E298 PolarHBondContact NE1-OE2 3.08Å; W248-A300 HydrophobicContact CH2-CB 4.45Å; W248-N318 HydrophobicContact CZ2-CB 4.39Å; W248-N318 WeakPolarHBondContact CZ2-ND2 3.41Å; W248-N318 PolarHBondContact NE1-ND2 3.32Å |
| 249 | K | 90.5 | Very high | 95.1 | Very high | 176 Ų | 176 | 67.7 Ų | 67.7 | 77% | 0.765 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -66.5 | -35.3 | 169.3 | -65.9 | 172.8 | -176.1 | 166.3 | 0 | 112.3 | T246 E247 | T246-K249 WeakPolarHBondContact O-CB 3.48Å; T246-K249 WeakPolarHBondContact O-CG 3.43Å; T246-K249 PolarHBondContact O-N 2.84Å; T246-K249 VanDerWaalsContact O-N 3.16Å; E247-K249 PolarHBondContact O-N 2.93Å |
| 250 | S | 92.8 | Very high | 95 | Very high | 77 Ų | 77 | 69.6 Ų | 69.6 | 54% | 0.538 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -130.9 | 125.1 | 172.2 | 164.6 | 0 | 0 | 0 | 0 | 108.4 | S244 T246 W248 | S244-S250 VanDerWaalsContact CB-O 3.24Å; S244-S250 WeakPolarHBondContact CB-O 3.25Å; S244-S250 PolarHBondContact OG-O 2.97Å; T246-S250 WeakPolarHBondContact OG1-CB 3.27Å; T246-S250 PolarHBondContact OG1-N 3.2Å; T246-S250 PolarHBondContact OG1-O 2.71Å; W248-S250 VanDerWaalsContact C-N 3.31Å |
| 251 | S | 94.9 | Very high | 94.9 | Very high | 65 Ų | 65 | 72 Ų | 72 | 46% | 0.455 | 37% | 0.372 | S | S | . | . | trans | -115.1 | 146.7 | 174.4 | 58.7 | 0 | 0 | 0 | 0 | 111.3 | Y243 | Y243-S251 CarbonylContact O-C 3.49Å; Y243-S251 WeakPolarHBondContact O-CA 3.48Å | ||
| 252 | A | 94.9 | Very high | 94.5 | Very high | 40 Ų | 40 | 74.8 Ų | 74.8 | 33% | 0.331 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 162.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | R242 Y243 | R242-A252 CarbonylContact C-O 3.58Å; R242-A252 WeakPolarHBondContact CA-O 3.4Å; Y243-A252 VanDerWaalsContact CD1-O 3.29Å; Y243-A252 WeakPolarHBondContact CD1-O 3.31Å; Y243-A252 HydrophobicContact CD2-CB 4.41Å; Y243-A252 HydrophobicContact CE1-CB 3.89Å; Y243-A252 HydrophobicContact CE2-CB 3.76Å; Y243-A252 VanDerWaalsContact CZ-CB 3.47Å; Y243-A252 PolarHBondContact N-O 3.33Å; Y243-A252 PolarHBondContact O-N 2.78Å |
| 253 | E | 96.3 | Very high | 94.3 | Very high | 89 Ų | 89 | 74.5 Ų | 74.5 | 42% | 0.416 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 150.2 | -176 | -73.4 | 165.1 | -163.5 | 0 | 0 | 110.6 | V241 R242 | V241-E253 CarbonylContact O-C 3.59Å; V241-E253 VanDerWaalsContact O-CA 3.3Å; V241-E253 WeakPolarHBondContact O-CA 3.49Å; R242-E253 HydrophobicContact CB-CG 4.1Å; R242-E253 HydrophobicContact CG-CG 3.92Å; R242-E253 IonicContact CZ-OE1 3.09Å; R242-E253 IonicContact NE-OE1 2.84Å; R242-E253 PolarHBondContact NE-OE1 3.22Å; R242-E253 IonicContact NH2-OE1 2.64Å; R242-E253 PolarHBondContact NH2-OE1 2.95Å |
| 254 | T | 96.5 | Very high | 93.9 | Very high | 38 Ų | 38 | 75.1 Ų | 75.1 | 23% | 0.233 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 133.6 | 173.4 | -70.1 | 0 | 0 | 0 | 0 | 110.1 | V241 Y243 H284 | V241-T254 PolarHBondContact N-O 3.38Å; V241-T254 PolarHBondContact O-N 2.9Å; Y243-T254 WeakPolarHBondContact CE1-OG1 3.38Å; T254-H284 WeakPolarHBondContact CG2-O 3.45Å |
| 255 | K | 97.4 | Very high | 93.3 | Very high | 130 Ų | 130 | 79.2 Ų | 79.2 | 57% | 0.565 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 141.5 | 176.8 | -58.9 | -161.5 | 173.9 | -145.9 | 0 | 110.8 | E238 E240 | E238-K255 IonicContact OE1-NZ 2.74Å; E238-K255 PolarHBondContact OE1-NZ 3.27Å; E240-K255 HydrophobicContact CG-CG 4.27Å; E240-K255 WeakPolarHBondContact OE1-CE 3.14Å; E240-K255 IonicContact OE1-NZ 2.62Å |
| 256 | A | 97.8 | Very high | 92.6 | Very high | 14 Ų | 14 | 77.2 Ų | 77.2 | 12% | 0.116 | 42% | 0.418 | C | S | . | . | trans | -90.6 | 151.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | V239 F281 R282 F283 | V239-A256 HydrophobicContact CB-CB 3.98Å; V239-A256 HydrophobicContact CG1-CB 3.78Å; V239-A256 PolarHBondContact O-N 3.3Å; A256-F281 HydrophobicContact CB-CB 3.92Å; A256-F281 HydrophobicContact CB-CD1 4.13Å; A256-F281 HydrophobicContact CB-CG 4.49Å; A256-R282 CarbonylContact C-O 3.54Å; A256-R282 WeakPolarHBondContact CA-O 3.12Å; A256-F283 HydrophobicContact CB-CB 3.87Å | ||
| 257 | S | 97.9 | Very high | 91.6 | Very high | 81 Ų | 81 | 82.1 Ų | 82.1 | 57% | 0.566 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 136 | 175.6 | -53 | 0 | 0 | 0 | 0 | 109.9 | F281 R282 | S257-F281 CarbonylContact O-C 3.53Å; S257-F281 WeakPolarHBondContact O-CA 3.41Å; S257-R282 PolarHBondContact N-O 3.18Å; S257-R282 PolarHBondContact O-N 3.38Å |
| 258 | W | 97.7 | Very high | 90.4 | Very high | 147 Ų | 147 | 76.4 Ų | 76.4 | 56% | 0.557 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 143.7 | 173.1 | 175.9 | 84.7 | 0 | 0 | 0 | 110.9 | S260 D279 F281 | W258-S260 PolarHBondContact NE1-O 3.16Å; W258-D279 PolarHBondContact NE1-OD1 3.29Å; W258-F281 HydrophobicContact CB-CD1 4.2Å; W258-F281 HydrophobicContact CB-CE1 3.75Å; W258-F281 HydrophobicContact CB-CZ 3.93Å; W258-F281 AromaticContact CD1-CE2 3.99Å; W258-F281 HydrophobicContact CG-CZ 4.41Å |
| 259 | V | 97.1 | Very high | 88.5 | Confident | 75 Ų | 75 | 82.6 Ų | 82.6 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | -53.7 | -178.3 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | T280 R282 | V259-T280 HydrophobicContact CB-CG2 4.34Å; V259-T280 WeakPolarHBondContact CB-O 3.5Å; V259-T280 PolarHBondContact N-O 3.45Å; V259-R282 HydrophobicContact CG2-CB 3.58Å |
| 260 | S | 96.2 | Very high | 87 | Confident | 44 Ų | 44 | 77.7 Ų | 77.7 | 31% | 0.308 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 162.2 | -174.3 | 60.1 | 0 | 0 | 0 | 0 | 111.5 | W258 D279 T280 | W258-S260 PolarHBondContact NE1-O 3.16Å; S260-D279 CarbonylContact O-C 3.6Å; S260-D279 WeakPolarHBondContact O-CA 3.45Å; S260-T280 PolarHBondContact O-N 2.86Å |
| 261 | T | 95.6 | Very high | 85.3 | Confident | 71 Ų | 71 | 77.7 Ų | 77.7 | 44% | 0.436 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 136.1 | 168.8 | -52.7 | 0 | 0 | 0 | 0 | 108.9 | C278 D279 | T261-C278 CarbonylContact C-O 3.55Å; T261-C278 WeakPolarHBondContact CA-O 3.47Å; T261-D279 WeakPolarHBondContact CA-OD1 3.39Å; T261-D279 VanDerWaalsContact CB-OD1 3.27Å; T261-D279 WeakPolarHBondContact CB-OD1 3.17Å; T261-D279 WeakPolarHBondContact CG2-OD1 3.24Å; T261-D279 PolarHBondContact OG1-OD1 3.36Å |
| 262 | V | 90.9 | Very high | 83.7 | Confident | 58 Ų | 58 | 85.2 Ų | 85.2 | 35% | 0.352 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 129.1 | -180 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | K264 C278 | V262-K264 HydrophobicContact CG1-CG 4.14Å; V262-C278 PolarHBondContact N-O 3.43Å; V262-C278 PolarHBondContact O-N 3.46Å; V262-C278 VanDerWaalsContact O-O 3.13Å |
| 263 | T | 91.3 | Very high | 82.5 | Confident | 81 Ų | 81 | 85.3 Ų | 85.3 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 134.5 | 171.5 | -41.9 | 0 | 0 | 0 | 0 | 109.8 | E275 | T263-E275 HydrophobicContact CG2-CG 3.34Å; T263-E275 WeakPolarHBondContact CG2-OE1 3.36Å |
| 264 | K | 87.1 | Confident | 81.6 | Confident | 36 Ų | 36 | 86.4 Ų | 86.4 | 16% | 0.157 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 143.6 | -175.5 | -62.3 | -164 | 166.3 | -161.6 | 0 | 110.1 | L204 Q229 V262 E275 F276 | L204-K264 HydrophobicContact CD2-CB 4.49Å; L204-K264 HydrophobicContact CD2-CD 3.5Å; L204-K264 VanDerWaalsContact CD2-CD 3.5Å; Q229-K264 VanDerWaalsContact CD-NZ 3.31Å; Q229-K264 VanDerWaalsContact NE2-NZ 3.18Å; V262-K264 HydrophobicContact CG1-CG 4.14Å; K264-E275 CarbonylContact O-C 3.59Å; K264-E275 WeakPolarHBondContact O-CA 3.41Å; K264-F276 HydrophobicContact CB-CE1 4.37Å; K264-F276 HydrophobicContact CB-CE2 4.36Å; K264-F276 HydrophobicContact CB-CZ 4.18Å; K264-F276 PolarHBondContact N-O 3.45Å; K264-F276 PolarHBondContact O-N 2.9Å |
| 265 | T | 82.8 | Confident | 81.1 | Confident | 87 Ų | 87 | 91.2 Ų | 91.2 | 53% | 0.534 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 123 | 171.2 | 27.6 | 0 | 0 | 0 | 0 | 108.5 | E275 | T265-E275 HydrophobicContact CG2-CB 3.98Å; T265-E275 HydrophobicContact CG2-CG 4.18Å |
| 266 | C | 74.7 | Confident | 80.8 | Confident | 20 Ų | 20 | 85.9 Ų | 85.9 | 14% | 0.135 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 143.2 | 164.6 | 56 | 0 | 0 | 0 | 0 | 109.7 | L204 G268 G273 E274 F276 | L204-C266 HydrophobicContact CB-CB 4.36Å; C266-G268 PolarHBondContact O-N 2.94Å; C266-G273 CarbonylContact O-C 3.5Å; C266-G273 WeakPolarHBondContact O-CA 3.48Å; C266-E274 PolarHBondContact N-O 3.23Å; C266-E274 PolarHBondContact O-N 3.35Å; C266-E274 PolarHBondContact SG-O 3.28Å; C266-E274 VanDerWaalsContact SG-O 3.38Å; C266-F276 HydrophobicContact CB-CE1 3.76Å; C266-F276 VanDerWaalsContact SG-CE1 3.56Å |
| 267 | D | 70 | Confident | 80.6 | Confident | 162 Ų | 162 | 87.1 Ų | 87.1 | 87% | 0.866 | 50% | 0.5 | S | S | * | . | trans | -72.5 | 99.4 | 173.3 | -66.4 | -35.8 | 0 | 0 | 0 | 108.6 | ||||
| 268 | G | 62.5 | Low | 80.5 | Confident | 27 Ų | 27 | 83.3 Ų | 83.3 | 28% | 0.278 | 47% | 0.473 | S | S | . | . | trans | -70.2 | 152.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | C266 G270 G271 | C266-G268 PolarHBondContact O-N 2.94Å; G268-G270 PolarHBondContact O-N 3.2Å; G268-G271 PolarHBondContact O-N 3.49Å; G268-G271 VanDerWaalsContact O-N 3.15Å | ||
| 269 | E | 52.8 | Low | 80.4 | Confident | 217 Ų | 217 | 76.6 Ų | 76.6 | 100% | 1.014 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 94.3 | 174 | -157.8 | 175.3 | -161.5 | 0 | 0 | 109.2 | ||
| 270 | G | 60.3 | Low | 80.5 | Confident | 72 Ų | 72 | 73.7 Ų | 73.7 | 74% | 0.742 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 134.9 | 3.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | G268 R272 | G268-G270 PolarHBondContact O-N 3.2Å; G270-R272 PolarHBondContact O-N 2.92Å |
| 271 | G | 57.3 | Low | 80.6 | Confident | 78 Ų | 78 | 72.1 Ų | 72.1 | 80% | 0.804 | 42% | 0.418 | S | S | * | . | S | Bend | trans | 73.5 | 8.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115 | G268 | G268-G271 PolarHBondContact O-N 3.49Å; G268-G271 VanDerWaalsContact O-N 3.15Å |
| 272 | R | 60.8 | Low | 80.7 | Confident | 222 Ų | 222 | 73.3 Ų | 73.3 | 84% | 0.838 | 42% | 0.415 | S | S | * | . | trans | -101 | 106.5 | 163.9 | -65 | -176.4 | -171.5 | -123.9 | 1.4 | 106.6 | G270 E274 | G270-R272 PolarHBondContact O-N 2.92Å; R272-E274 PolarHBondContact O-N 3.31Å | ||
| 273 | G | 68.9 | Low | 81 | Confident | 42 Ų | 42 | 70.6 Ų | 70.6 | 43% | 0.433 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -63 | 126.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110 | C266 | C266-G273 CarbonylContact O-C 3.5Å; C266-G273 WeakPolarHBondContact O-CA 3.48Å |
| 274 | E | 77.9 | Confident | 81.2 | Confident | 113 Ų | 113 | 71 Ų | 71 | 53% | 0.528 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 119.8 | 173.9 | -171.2 | 173.3 | -168.5 | 0 | 0 | 107.7 | C266 R272 | C266-E274 PolarHBondContact N-O 3.23Å; C266-E274 PolarHBondContact O-N 3.35Å; C266-E274 PolarHBondContact SG-O 3.28Å; C266-E274 VanDerWaalsContact SG-O 3.38Å; R272-E274 PolarHBondContact O-N 3.31Å |
| 275 | E | 85.9 | Confident | 81.4 | Confident | 139 Ų | 139 | 69.5 Ų | 69.5 | 65% | 0.65 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 123.9 | 179.1 | -172.5 | 174.7 | -171 | 0 | 0 | 109.4 | T263 K264 T265 | T263-E275 HydrophobicContact CG2-CG 3.34Å; T263-E275 WeakPolarHBondContact CG2-OE1 3.36Å; K264-E275 CarbonylContact O-C 3.59Å; K264-E275 WeakPolarHBondContact O-CA 3.41Å; T265-E275 HydrophobicContact CG2-CB 3.98Å; T265-E275 HydrophobicContact CG2-CG 4.18Å |
| 276 | F | 90.3 | Very high | 81.5 | Confident | 18 Ų | 18 | 68.5 Ų | 68.5 | 8% | 0.079 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 147.6 | 178.2 | 63.6 | -84.6 | 0 | 0 | 0 | 111.5 | L204 L207 H208 L231 K264 C266 C278 | L204-F276 HydrophobicContact CB-CZ 4.43Å; L204-F276 HydrophobicContact CD2-CZ 4.48Å; L207-F276 HydrophobicContact CD2-CE2 4.29Å; H208-F276 HydrophobicContact CB-CZ 4.48Å; L231-F276 HydrophobicContact CD1-CB 4.12Å; L231-F276 HydrophobicContact CD1-CD2 3.31Å; L231-F276 HydrophobicContact CD1-CE2 4.03Å; L231-F276 HydrophobicContact CD1-CG 4.08Å; K264-F276 HydrophobicContact CB-CE1 4.37Å; K264-F276 HydrophobicContact CB-CE2 4.36Å; K264-F276 HydrophobicContact CB-CZ 4.18Å; K264-F276 PolarHBondContact N-O 3.45Å; K264-F276 PolarHBondContact O-N 2.9Å; C266-F276 HydrophobicContact CB-CE1 3.76Å; C266-F276 VanDerWaalsContact SG-CE1 3.56Å; F276-C278 WeakPolarHBondContact CD2-SG 3.45Å; F276-C278 WeakPolarHBondContact CE2-SG 3.33Å |
| 277 | S | 93.8 | Very high | 81.7 | Confident | 40 Ų | 40 | 69.6 Ų | 69.6 | 28% | 0.28 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 136.7 | 179.5 | 68.9 | 0 | 0 | 0 | 0 | 111.6 | N232 | N232-S277 VanDerWaalsContact CB-O 3.32Å; N232-S277 WeakPolarHBondContact CB-O 3.49Å; N232-S277 WeakPolarHBondContact CB-OG 3.46Å; N232-S277 PolarHBondContact N-O 3.4Å; N232-S277 PolarHBondContact ND2-OG 2.88Å |
| 278 | C | 95.6 | Very high | 82 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 145.2 | -179.9 | -60.1 | 0 | 0 | 0 | 0 | 110.3 | L207 V230 T261 V262 F276 | L207-C278 HydrophobicContact CD2-CB 4.48Å; V230-C278 CarbonylContact O-C 3.6Å; V230-C278 VanDerWaalsContact O-CA 3.23Å; V230-C278 WeakPolarHBondContact O-CA 3.14Å; T261-C278 CarbonylContact C-O 3.55Å; T261-C278 WeakPolarHBondContact CA-O 3.47Å; V262-C278 PolarHBondContact N-O 3.43Å; V262-C278 PolarHBondContact O-N 3.46Å; V262-C278 VanDerWaalsContact O-O 3.13Å; F276-C278 WeakPolarHBondContact CD2-SG 3.45Å; F276-C278 WeakPolarHBondContact CE2-SG 3.33Å |
| 279 | D | 97.1 | Very high | 82.2 | Confident | 6 Ų | 6 | 67.4 Ų | 67.4 | 3% | 0.032 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 140.9 | 168.8 | -76.1 | -27.1 | 0 | 0 | 0 | 111.1 | Q229 V230 K237 W258 S260 T261 F281 | Q229-D279 CarbonylContact C-O 3.56Å; Q229-D279 WeakPolarHBondContact CA-O 3.45Å; V230-D279 HydrophobicContact CG2-CB 3.83Å; V230-D279 PolarHBondContact N-O 3.49Å; V230-D279 PolarHBondContact O-N 2.92Å; K237-D279 WeakPolarHBondContact CE-OD2 3.15Å; K237-D279 IonicContact NZ-OD2 3.89Å; K237-D279 PolarHBondContact NZ-OD2 3.16Å; W258-D279 PolarHBondContact NE1-OD1 3.29Å; S260-D279 CarbonylContact O-C 3.6Å; S260-D279 WeakPolarHBondContact O-CA 3.45Å; T261-D279 WeakPolarHBondContact CA-OD1 3.39Å; T261-D279 VanDerWaalsContact CB-OD1 3.27Å; T261-D279 WeakPolarHBondContact CB-OD1 3.17Å; T261-D279 WeakPolarHBondContact CG2-OD1 3.24Å; T261-D279 PolarHBondContact OG1-OD1 3.36Å; D279-F281 HydrophobicContact CB-CD2 4.12Å; D279-F281 HydrophobicContact CB-CE2 3.65Å |
| 280 | T | 97.9 | Very high | 83 | Confident | 14 Ų | 14 | 61.5 Ų | 61.5 | 9% | 0.086 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 126.6 | 173.7 | -57 | 0 | 0 | 0 | 0 | 109.2 | I227 T228 V259 S260 | I227-T280 HydrophobicContact CG2-CG2 3.58Å; T228-T280 CarbonylContact O-C 3.58Å; T228-T280 WeakPolarHBondContact O-CA 3.34Å; V259-T280 HydrophobicContact CB-CG2 4.34Å; V259-T280 WeakPolarHBondContact CB-O 3.5Å; V259-T280 PolarHBondContact N-O 3.45Å; S260-T280 PolarHBondContact O-N 2.86Å |
| 281 | F | 98.2 | Very high | 83.6 | Confident | 11 Ų | 11 | 59.5 Ų | 59.5 | 5% | 0.048 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 146 | 175.9 | -79.1 | -101.2 | 0 | 0 | 0 | 110.4 | I227 T228 V230 K237 V239 A256 S257 W258 D279 | I227-F281 WeakPolarHBondContact CA-O 3.34Å; T228-F281 PolarHBondContact N-O 3.12Å; T228-F281 PolarHBondContact O-N 2.92Å; V230-F281 HydrophobicContact CG2-CD2 3.68Å; V230-F281 HydrophobicContact CG2-CE2 3.48Å; V230-F281 VanDerWaalsContact CG2-CE2 3.48Å; K237-F281 HydrophobicContact CB-CZ 4.01Å; K237-F281 HydrophobicContact CD-CE2 4.15Å; K237-F281 HydrophobicContact CD-CZ 4.22Å; V239-F281 HydrophobicContact CB-CB 4.49Å; V239-F281 HydrophobicContact CB-CD1 3.88Å; V239-F281 HydrophobicContact CB-CE1 4.26Å; V239-F281 HydrophobicContact CB-CG 4.11Å; V239-F281 HydrophobicContact CG1-CB 4.34Å; V239-F281 HydrophobicContact CG1-CG 4.46Å; V239-F281 HydrophobicContact CG2-CD1 3.81Å; V239-F281 HydrophobicContact CG2-CD2 3.9Å; V239-F281 HydrophobicContact CG2-CE1 3.9Å; V239-F281 HydrophobicContact CG2-CE2 3.98Å; V239-F281 HydrophobicContact CG2-CG 3.81Å; V239-F281 HydrophobicContact CG2-CZ 3.98Å; A256-F281 HydrophobicContact CB-CB 3.92Å; A256-F281 HydrophobicContact CB-CD1 4.13Å; A256-F281 HydrophobicContact CB-CG 4.49Å; S257-F281 CarbonylContact O-C 3.53Å; S257-F281 WeakPolarHBondContact O-CA 3.41Å; W258-F281 HydrophobicContact CB-CD1 4.2Å; W258-F281 HydrophobicContact CB-CE1 3.75Å; W258-F281 HydrophobicContact CB-CZ 3.93Å; W258-F281 AromaticContact CD1-CE2 3.99Å; W258-F281 HydrophobicContact CG-CZ 4.41Å; D279-F281 HydrophobicContact CB-CD2 4.12Å; D279-F281 HydrophobicContact CB-CE2 3.65Å |
| 282 | R | 98.1 | Very high | 84.6 | Confident | 96 Ų | 96 | 65.5 Ų | 65.5 | 36% | 0.362 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 130.8 | 178.5 | -172.3 | 175.9 | 101 | 105.2 | -13.4 | 110.7 | I225 G226 A256 S257 V259 H284 | I225-R282 HydrophobicContact CG2-CG 3.86Å; I225-R282 VanDerWaalsContact CG2-NH1 3.34Å; G226-R282 WeakPolarHBondContact O-CA 3.48Å; A256-R282 CarbonylContact C-O 3.54Å; A256-R282 WeakPolarHBondContact CA-O 3.12Å; S257-R282 PolarHBondContact N-O 3.18Å; S257-R282 PolarHBondContact O-N 3.38Å; V259-R282 HydrophobicContact CG2-CB 3.58Å; R282-H284 PolarHBondContact NH1-CE1 3.05Å; R282-H284 PolarHBondContact NH1-NE2 3.43Å; R282-H284 PolarHBondContact NH2-CE1 3.19Å; R282-H284 PolarHBondContact NH2-NE2 2.98Å |
| 283 | F | 97 | Very high | 85.6 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 0% | 0.004 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 161.3 | 175.2 | 64.5 | -95 | 0 | 0 | 0 | 111.1 | L214 I225 G226 T228 V241 A256 L285 F299 | L214-F283 HydrophobicContact CD1-CE1 4Å; L214-F283 HydrophobicContact CD1-CZ 4.07Å; I225-F283 WeakPolarHBondContact CA-O 3.32Å; G226-F283 VanDerWaalsContact CA-CZ 3.49Å; G226-F283 PolarHBondContact N-O 3.33Å; G226-F283 PolarHBondContact O-N 3.16Å; T228-F283 WeakPolarHBondContact OG1-CE1 3.34Å; V241-F283 HydrophobicContact CB-CD2 4.28Å; V241-F283 HydrophobicContact CB-CE2 4.45Å; V241-F283 HydrophobicContact CB-CG 4.38Å; V241-F283 HydrophobicContact CG1-CD2 4.31Å; V241-F283 HydrophobicContact CG1-CE2 4.02Å; V241-F283 HydrophobicContact CG1-CZ 4.22Å; V241-F283 HydrophobicContact CG2-CB 3.97Å; V241-F283 HydrophobicContact CG2-CD1 3.46Å; V241-F283 VanDerWaalsContact CG2-CD1 3.46Å; V241-F283 HydrophobicContact CG2-CD2 3.8Å; V241-F283 HydrophobicContact CG2-CE1 3.7Å; V241-F283 HydrophobicContact CG2-CE2 4.05Å; V241-F283 HydrophobicContact CG2-CG 3.48Å; V241-F283 VanDerWaalsContact CG2-CG 3.48Å; V241-F283 HydrophobicContact CG2-CZ 3.97Å; A256-F283 HydrophobicContact CB-CB 3.87Å; F283-L285 HydrophobicContact CD2-CD1 4.47Å; F283-L285 HydrophobicContact CD2-CD2 3.94Å; F283-L285 HydrophobicContact CD2-CG 3.84Å; F283-L285 HydrophobicContact CE2-CD1 3.88Å; F283-L285 HydrophobicContact CE2-CD2 4.13Å; F283-L285 HydrophobicContact CE2-CG 3.74Å; F283-F299 HydrophobicContact CE2-CE2 4.41Å; F283-F299 HydrophobicContact CZ-CD2 4.22Å; F283-F299 AromaticContact CZ-CE2 3.78Å; F283-F299 HydrophobicContact CZ-CE2 3.78Å; F283-F299 HydrophobicContact CZ-CZ 4.42Å |
| 284 | H | 95.3 | Very high | 86.2 | Confident | 91 Ų | 91 | 59.5 Ų | 59.5 | 42% | 0.421 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 130.9 | 175.2 | -66.2 | -101.5 | 0 | 0 | 0 | 109.2 | I224 I225 T254 R282 | I224-H284 CarbonylContact O-C 3.54Å; I224-H284 VanDerWaalsContact O-CA 3.31Å; I224-H284 WeakPolarHBondContact O-CA 3.4Å; I225-H284 WeakPolarHBondContact CG1-ND1 3.22Å; T254-H284 WeakPolarHBondContact CG2-O 3.45Å; R282-H284 PolarHBondContact NH1-CE1 3.05Å; R282-H284 PolarHBondContact NH1-NE2 3.43Å; R282-H284 PolarHBondContact NH2-CE1 3.19Å; R282-H284 PolarHBondContact NH2-NE2 2.98Å |
| 285 | L | 92.3 | Very high | 86.7 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.016 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 132.5 | 171 | -56.1 | 179.7 | 0 | 0 | 0 | 109.3 | I224 V241 Y243 F283 L297 F299 | I224-L285 HydrophobicContact CB-CB 4.14Å; I224-L285 HydrophobicContact CD1-CB 3.87Å; I224-L285 PolarHBondContact N-O 3.1Å; I224-L285 PolarHBondContact O-N 3.42Å; V241-L285 HydrophobicContact CB-CD2 4.41Å; V241-L285 HydrophobicContact CG1-CD2 4.03Å; Y243-L285 HydrophobicContact CD1-CD2 3.53Å; Y243-L285 HydrophobicContact CE1-CD2 3.9Å; Y243-L285 HydrophobicContact CG-CD2 3.96Å; F283-L285 HydrophobicContact CD2-CD1 4.47Å; F283-L285 HydrophobicContact CD2-CD2 3.94Å; F283-L285 HydrophobicContact CD2-CG 3.84Å; F283-L285 HydrophobicContact CE2-CD1 3.88Å; F283-L285 HydrophobicContact CE2-CD2 4.13Å; F283-L285 HydrophobicContact CE2-CG 3.74Å; L285-L297 HydrophobicContact CB-CD2 4.49Å; L285-L297 HydrophobicContact CD1-CD2 4.01Å; L285-F299 HydrophobicContact CD1-CB 4.27Å; L285-F299 HydrophobicContact CD1-CD1 4.02Å; L285-F299 HydrophobicContact CD1-CG 4.06Å |
| 286 | P | 84.8 | Confident | 86.9 | Confident | 67 Ų | 67 | 52.1 Ų | 52.1 | 44% | 0.435 | 30% | 0.296 | S | S | . | . | trans | -67 | 142 | 177.2 | 28.9 | -33.8 | 0 | 0 | 0 | 109.9 | Y243 F245 | Y243-P286 HydrophobicContact CE2-CG 4.15Å; Y243-P286 WeakPolarHBondContact OH-CG 3.45Å; F245-P286 WeakPolarHBondContact CZ-O 3.37Å | ||
| 287 | V | 79.4 | Confident | 87.1 | Confident | 43 Ų | 43 | 51.3 Ų | 51.3 | 26% | 0.261 | 29% | 0.292 | S | S | . | . | trans | -105.1 | 111.4 | 175 | 177.6 | 0 | 0 | 0 | 0 | 107.4 | L189 I224 L291 | L189-V287 HydrophobicContact CD1-CG1 4.18Å; L189-V287 HydrophobicContact CD1-CG2 3.95Å; I224-V287 HydrophobicContact CD1-CG2 3.75Å; I224-V287 HydrophobicContact CG1-CG2 3.74Å; V287-L291 HydrophobicContact CG1-CD1 3.41Å; V287-L291 VanDerWaalsContact CG1-CD1 3.41Å | ||
| 288 | P | 76.1 | Confident | 87.1 | Confident | 41 Ų | 41 | 50.2 Ų | 50.2 | 27% | 0.266 | 28% | 0.283 | S | S | . | . | trans | -59.8 | 133.2 | 178.8 | -24.4 | 32.4 | 0 | 0 | 0 | 111.1 | F245 S290 L291 | F245-P288 HydrophobicContact CD1-CG 4.34Å; F245-P288 HydrophobicContact CD2-CG 4.32Å; F245-P288 HydrophobicContact CE1-CG 3.95Å; F245-P288 HydrophobicContact CE2-CG 3.93Å; F245-P288 HydrophobicContact CZ-CG 3.76Å; P288-S290 PolarHBondContact O-N 3.09Å; P288-L291 HydrophobicContact CB-CG 4.24Å; P288-L291 HydrophobicContact CG-CG 4.41Å; P288-L291 WeakPolarHBondContact O-CG 3.33Å; P288-L291 PolarHBondContact O-N 3.03Å | ||
| 289 | P | 67.4 | Low | 87.2 | Confident | 101 Ų | 101 | 50.2 Ų | 50.2 | 66% | 0.656 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -8.6 | -177.1 | 24.7 | -33.5 | 0 | 0 | 0 | 113.8 | Y8 | Y8-P289 HydrophobicContact CE1-CB 4Å; Y8-P289 PolarHBondContact OH-O 3.03Å |
| 290 | S | 67.9 | Low | 87.2 | Confident | 94 Ų | 94 | 50.1 Ų | 50.1 | 66% | 0.657 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.3 | 34.8 | -178.9 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | P288 R292 | P288-S290 PolarHBondContact O-N 3.09Å; S290-R292 PolarHBondContact O-N 3.47Å |
| 291 | L | 73.6 | Confident | 87.2 | Confident | 29 Ų | 29 | 49.5 Ų | 49.5 | 15% | 0.152 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 123.3 | 171.3 | -82.3 | 161.8 | 0 | 0 | 0 | 110.3 | L189 F245 V287 P288 A295 | L189-L291 HydrophobicContact CD1-CD1 4.08Å; L189-L291 HydrophobicContact CD2-CD1 4.3Å; L189-L291 HydrophobicContact CG-CD1 4.27Å; F245-L291 HydrophobicContact CD1-CD2 4.12Å; F245-L291 HydrophobicContact CE1-CD2 4.18Å; V287-L291 HydrophobicContact CG1-CD1 3.41Å; V287-L291 VanDerWaalsContact CG1-CD1 3.41Å; P288-L291 HydrophobicContact CB-CG 4.24Å; P288-L291 HydrophobicContact CG-CG 4.41Å; P288-L291 WeakPolarHBondContact O-CG 3.33Å; P288-L291 PolarHBondContact O-N 3.03Å; L291-A295 HydrophobicContact CD2-CB 3.78Å |
| 292 | R | 78.6 | Confident | 87.2 | Confident | 204 Ų | 204 | 49.5 Ų | 49.5 | 77% | 0.77 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -81.5 | 146.5 | 172.5 | -69.6 | -172.6 | -73.8 | 175.1 | -2.1 | 109.6 | S290 G294 A295 | S290-R292 PolarHBondContact O-N 3.47Å; R292-G294 PolarHBondContact O-N 3.29Å; R292-A295 WeakPolarHBondContact O-CB 3.14Å; R292-A295 PolarHBondContact O-N 3.16Å |
| 293 | P | 81.4 | Confident | 87.2 | Confident | 80 Ų | 80 | 45 Ų | 45 | 52% | 0.519 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 135.3 | 170.3 | -21.9 | 33.4 | 0 | 0 | 0 | 110 | A295 N325 | P293-A295 VanDerWaalsContact C-N 3.31Å; P293-N325 WeakPolarHBondContact CG-ND2 3.35Å; P293-N325 WeakPolarHBondContact CG-OD1 3.37Å |
| 294 | G | 82.4 | Confident | 87.2 | Confident | 58 Ų | 58 | 47.2 Ų | 47.2 | 60% | 0.598 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | -4.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | R292 C323 | R292-G294 PolarHBondContact O-N 3.29Å; G294-C323 PolarHBondContact N-O 2.82Å |
| 295 | A | 87.6 | Confident | 87.3 | Confident | 30 Ų | 30 | 43.1 Ų | 43.1 | 25% | 0.248 | 25% | 0.253 | C | S | . | . | trans | -61.9 | 142 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L291 R292 P293 C323 | L291-A295 HydrophobicContact CD2-CB 3.78Å; R292-A295 WeakPolarHBondContact O-CB 3.14Å; R292-A295 PolarHBondContact O-N 3.16Å; P293-A295 VanDerWaalsContact C-N 3.31Å; A295-C323 HydrophobicContact CB-CB 4.24Å; A295-C323 PolarHBondContact O-N 3.18Å | ||
| 296 | Q | 91.3 | Very high | 87.4 | Confident | 68 Ų | 68 | 47.6 Ų | 47.6 | 32% | 0.318 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 132.8 | -178.3 | -173 | 167.4 | -62 | 0 | 0 | 110.3 | E298 K320 L321 V322 | Q296-E298 HydrophobicContact CG-CG 4.21Å; Q296-E298 PolarHBondContact NE2-OE1 3.4Å; Q296-K320 HydrophobicContact CG-CB 4.5Å; Q296-L321 CarbonylContact C-O 3.46Å; Q296-L321 WeakPolarHBondContact CA-O 3.49Å; Q296-V322 HydrophobicContact CB-CG2 4.48Å; Q296-V322 HydrophobicContact CG-CG2 4.23Å |
| 297 | L | 93 | Very high | 87.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 127.3 | 166.9 | 173.3 | 59.1 | 0 | 0 | 0 | 108.1 | I224 Y243 S244 F245 L285 K320 L321 | I224-L297 HydrophobicContact CD1-CD2 3.35Å; Y243-L297 HydrophobicContact CD2-CD1 3.91Å; Y243-L297 HydrophobicContact CG-CD1 4.38Å; S244-L297 WeakPolarHBondContact O-CD1 3.38Å; F245-L297 HydrophobicContact CD1-CB 4Å; F245-L297 HydrophobicContact CD1-CD1 3.93Å; F245-L297 HydrophobicContact CD1-CG 4.46Å; F245-L297 HydrophobicContact CD2-CD1 4.21Å; F245-L297 HydrophobicContact CE1-CB 3.79Å; F245-L297 HydrophobicContact CE1-CD1 3.67Å; F245-L297 HydrophobicContact CE1-CD2 3.93Å; F245-L297 HydrophobicContact CE1-CG 4Å; F245-L297 HydrophobicContact CE2-CD1 3.95Å; F245-L297 HydrophobicContact CG-CD1 4.19Å; F245-L297 HydrophobicContact CZ-CD1 3.65Å; F245-L297 HydrophobicContact CZ-CD2 3.98Å; F245-L297 HydrophobicContact CZ-CG 4.28Å; L285-L297 HydrophobicContact CB-CD2 4.49Å; L285-L297 HydrophobicContact CD1-CD2 4.01Å; L297-K320 CarbonylContact O-C 3.6Å; L297-K320 WeakPolarHBondContact O-CA 3.26Å; L297-L321 HydrophobicContact CB-CB 4.34Å; L297-L321 HydrophobicContact CD2-CD1 4.14Å; L297-L321 PolarHBondContact N-O 3.32Å; L297-L321 PolarHBondContact O-N 3.16Å |
| 298 | E | 95.1 | Very high | 88.7 | Confident | 18 Ų | 18 | 48.3 Ų | 48.3 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 143 | 171 | -50.7 | -161.7 | -179.3 | 0 | 0 | 110.1 | Y243 S244 W248 Q296 Y319 K320 | Y243-E298 CarbonylContact C-O 3.6Å; Y243-E298 WeakPolarHBondContact CA-O 3.37Å; Y243-E298 WeakPolarHBondContact CB-O 3.42Å; S244-E298 PolarHBondContact N-O 3.36Å; S244-E298 PolarHBondContact O-N 3.31Å; W248-E298 HydrophobicContact CZ2-CB 3.97Å; W248-E298 PolarHBondContact NE1-OE2 3.08Å; Q296-E298 HydrophobicContact CG-CG 4.21Å; Q296-E298 PolarHBondContact NE2-OE1 3.4Å; E298-Y319 CarbonylContact C-O 3.58Å; E298-Y319 VanDerWaalsContact CA-O 3.23Å; E298-Y319 WeakPolarHBondContact CA-O 3.41Å; E298-K320 HydrophobicContact CG-CG 4.12Å; E298-K320 WeakPolarHBondContact OE1-CE 3.31Å; E298-K320 IonicContact OE1-NZ 3.4Å |
| 299 | F | 96.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 157.4 | 173.6 | 68.4 | -86.1 | 0 | 0 | 0 | 112.8 | L214 V217 V241 R242 F283 L285 Y319 L321 | L214-F299 HydrophobicContact CD1-CE2 4.32Å; L214-F299 HydrophobicContact CD2-CE2 3.77Å; L214-F299 HydrophobicContact CD2-CZ 3.75Å; V217-F299 HydrophobicContact CG2-CZ 3.86Å; V241-F299 HydrophobicContact CG1-CB 3.97Å; V241-F299 HydrophobicContact CG1-CD2 3.81Å; V241-F299 HydrophobicContact CG1-CG 4.24Å; R242-F299 CarbonylContact O-C 3.45Å; R242-F299 WeakPolarHBondContact O-CA 3.43Å; R242-F299 WeakPolarHBondContact O-CB 3.47Å; F283-F299 HydrophobicContact CE2-CE2 4.41Å; F283-F299 HydrophobicContact CZ-CD2 4.22Å; F283-F299 AromaticContact CZ-CE2 3.78Å; F283-F299 HydrophobicContact CZ-CE2 3.78Å; F283-F299 HydrophobicContact CZ-CZ 4.42Å; L285-F299 HydrophobicContact CD1-CB 4.27Å; L285-F299 HydrophobicContact CD1-CD1 4.02Å; L285-F299 HydrophobicContact CD1-CG 4.06Å; F299-Y319 HydrophobicContact CD2-CD2 4.25Å; F299-Y319 VanDerWaalsContact CE1-CB 3.44Å; F299-Y319 AromaticContact CE2-CD2 3.84Å; F299-Y319 HydrophobicContact CE2-CD2 3.84Å; F299-Y319 AromaticContact CE2-CG 3.92Å; F299-Y319 HydrophobicContact CE2-CG 3.92Å; F299-Y319 HydrophobicContact CZ-CD2 4.32Å; F299-Y319 AromaticContact CZ-CG 3.92Å; F299-Y319 HydrophobicContact CZ-CG 3.92Å; F299-Y319 PolarHBondContact N-O 3.1Å; F299-Y319 PolarHBondContact O-N 3.27Å; F299-L321 HydrophobicContact CE1-CD1 4.38Å; F299-L321 HydrophobicContact CE1-CD2 4.4Å; F299-L321 HydrophobicContact CE1-CG 4.17Å |
| 300 | A | 97.3 | Very high | 91.1 | Very high | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.033 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 155.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | R242 W248 W311 D312 N313 | R242-A300 PolarHBondContact N-O 2.93Å; R242-A300 PolarHBondContact O-N 3.48Å; W248-A300 HydrophobicContact CH2-CB 4.45Å; A300-W311 HydrophobicContact CB-CE3 4.4Å; A300-W311 HydrophobicContact CB-CZ3 4.49Å; A300-D312 WeakPolarHBondContact CA-O 3.41Å; A300-N313 HydrophobicContact CB-CB 4.09Å |
| 301 | I | 97.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 133.3 | -175.3 | -54.1 | 155 | 0 | 0 | 0 | 109 | V212 L214 T228 V239 V241 W311 D312 Y319 | V212-I301 HydrophobicContact CG2-CB 4.29Å; V212-I301 HydrophobicContact CG2-CG2 3.76Å; L214-I301 HydrophobicContact CB-CD1 3.62Å; L214-I301 HydrophobicContact CD1-CD1 3.89Å; L214-I301 HydrophobicContact CG-CD1 4.26Å; T228-I301 HydrophobicContact CG2-CD1 3.98Å; T228-I301 HydrophobicContact CG2-CG2 3.97Å; T228-I301 WeakPolarHBondContact OG1-CD1 3.29Å; V239-I301 HydrophobicContact CG1-CG2 3.92Å; V241-I301 HydrophobicContact CG2-CG1 4.21Å; V241-I301 HydrophobicContact CG2-CG2 4.45Å; I301-W311 CarbonylContact O-C 3.6Å; I301-W311 WeakPolarHBondContact O-CA 3.35Å; I301-D312 HydrophobicContact CB-CB 4.37Å; I301-D312 PolarHBondContact N-O 2.9Å; I301-D312 PolarHBondContact O-N 2.83Å; I301-Y319 HydrophobicContact CD1-CE2 4.44Å |
| 302 | Q | 97.9 | Very high | 93.6 | Very high | 12 Ų | 12 | 48.4 Ų | 48.4 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 133.5 | 173.7 | -170.4 | -178.3 | 34.4 | 0 | 0 | 109 | V239 E240 K304 E309 Y310 W311 | V239-Q302 WeakPolarHBondContact CA-O 3.28Å; E240-Q302 PolarHBondContact N-O 3.25Å; E240-Q302 PolarHBondContact O-N 3.02Å; E240-Q302 PolarHBondContact OE2-OE1 3.19Å; Q302-K304 HydrophobicContact CG-CG 4.2Å; Q302-K304 VanDerWaalsContact NE2-CE 3.26Å; Q302-K304 VanDerWaalsContact OE1-CE 3.22Å; Q302-E309 VanDerWaalsContact NE2-CD 3.26Å; Q302-E309 PolarHBondContact NE2-OE1 3.34Å; Q302-E309 PolarHBondContact NE2-OE2 3.37Å; Q302-Y310 WeakPolarHBondContact CA-O 3.4Å; Q302-W311 HydrophobicContact CB-CD2 4.15Å; Q302-W311 HydrophobicContact CB-CE3 3.99Å; Q302-W311 HydrophobicContact CB-CH2 3.78Å; Q302-W311 HydrophobicContact CB-CZ2 3.95Å; Q302-W311 HydrophobicContact CB-CZ3 3.81Å; Q302-W311 HydrophobicContact CG-CD2 4.13Å; Q302-W311 HydrophobicContact CG-CE3 4.46Å; Q302-W311 HydrophobicContact CG-CH2 3.98Å; Q302-W311 HydrophobicContact CG-CZ2 3.61Å; Q302-W311 HydrophobicContact CG-CZ3 4.39Å |
| 303 | Y | 98.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 115.8 | 173.4 | 170.8 | -143.1 | 0 | 0 | 0 | 109.2 | K211 V212 V230 L231 K237 V239 V305 E309 Y310 | K211-Y303 HydrophobicContact CB-CD1 4.29Å; K211-Y303 HydrophobicContact CB-CE1 4.35Å; V212-Y303 HydrophobicContact CB-CD1 4.19Å; V212-Y303 HydrophobicContact CB-CG 4.37Å; V230-Y303 HydrophobicContact CB-CD1 3.94Å; V230-Y303 HydrophobicContact CB-CD2 4.3Å; V230-Y303 HydrophobicContact CB-CE1 3.81Å; V230-Y303 HydrophobicContact CB-CE2 4.21Å; V230-Y303 HydrophobicContact CB-CG 4.17Å; V230-Y303 HydrophobicContact CG1-CD1 4.02Å; V230-Y303 HydrophobicContact CG1-CD2 4.07Å; V230-Y303 HydrophobicContact CG1-CE1 4.38Å; V230-Y303 HydrophobicContact CG1-CE2 4.45Å; V230-Y303 HydrophobicContact CG1-CG 3.83Å; V230-Y303 HydrophobicContact CG2-CE1 4.5Å; V230-Y303 HydrophobicContact CG2-CE2 4.23Å; L231-Y303 PolarHBondContact O-OH 3.08Å; K237-Y303 HydrophobicContact CB-CE2 3.9Å; K237-Y303 HydrophobicContact CD-CE2 3.95Å; K237-Y303 WeakPolarHBondContact CD-OH 3.5Å; K237-Y303 HydrophobicContact CG-CE2 3.9Å; V239-Y303 HydrophobicContact CG2-CD2 3.88Å; Y303-V305 HydrophobicContact CD1-CG1 4.36Å; Y303-V305 HydrophobicContact CD2-CB 4.45Å; Y303-V305 HydrophobicContact CE1-CB 4.36Å; Y303-V305 HydrophobicContact CE1-CG1 3.68Å; Y303-V305 HydrophobicContact CE2-CB 3.63Å; Y303-V305 HydrophobicContact CE2-CG1 3.88Å; Y303-V305 HydrophobicContact CE2-CG2 4.41Å; Y303-V305 VanDerWaalsContact CZ-CG1 3.42Å; Y303-E309 CarbonylContact O-C 3.55Å; Y303-E309 WeakPolarHBondContact O-CA 3.48Å; Y303-Y310 AromaticContact CD1-CD2 3.92Å; Y303-Y310 HydrophobicContact CD1-CD2 3.92Å; Y303-Y310 HydrophobicContact CD1-CG 4.49Å; Y303-Y310 HydrophobicContact CE1-CD2 4.36Å; Y303-Y310 PolarHBondContact N-O 3.45Å; Y303-Y310 PolarHBondContact O-N 3.16Å |
| 304 | K | 97.9 | Very high | 94.9 | Very high | 49 Ų | 49 | 40.2 Ų | 40.2 | 21% | 0.213 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 128.5 | 174.8 | -45.7 | -172.3 | -164.9 | 124.2 | 0 | 110.1 | E238 E240 Q302 A308 E309 | E238-K304 HydrophobicContact CB-CB 4.29Å; E238-K304 PolarHBondContact N-O 3.28Å; E238-K304 PolarHBondContact O-N 3.17Å; E238-K304 IonicContact OE2-NZ 2.95Å; E238-K304 PolarHBondContact OE2-NZ 3.2Å; E240-K304 IonicContact OE2-NZ 2.79Å; E240-K304 PolarHBondContact OE2-NZ 3.44Å; Q302-K304 HydrophobicContact CG-CG 4.2Å; Q302-K304 VanDerWaalsContact NE2-CE 3.26Å; Q302-K304 VanDerWaalsContact OE1-CE 3.22Å; K304-A308 VanDerWaalsContact CA-O 3.3Å; K304-A308 WeakPolarHBondContact CA-O 3.42Å; K304-E309 HydrophobicContact CD-CG 4.22Å; K304-E309 WeakPolarHBondContact CD-OE1 3.28Å; K304-E309 WeakPolarHBondContact CE-OE1 3.32Å; K304-E309 HydrophobicContact CG-CG 3.97Å |
| 305 | V | 97.3 | Very high | 95.2 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.024 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 138.5 | 179.2 | 62.5 | 0 | 0 | 0 | 0 | 109.7 | L233 D234 K237 Y303 G307 A308 Y310 | L233-V305 HydrophobicContact CB-CG1 4.31Å; L233-V305 HydrophobicContact CB-CG2 4.09Å; L233-V305 HydrophobicContact CD1-CG1 3.92Å; D234-V305 HydrophobicContact CB-CG2 3.64Å; K237-V305 HydrophobicContact CG-CG2 4.37Å; Y303-V305 HydrophobicContact CD1-CG1 4.36Å; Y303-V305 HydrophobicContact CD2-CB 4.45Å; Y303-V305 HydrophobicContact CE1-CB 4.36Å; Y303-V305 HydrophobicContact CE1-CG1 3.68Å; Y303-V305 HydrophobicContact CE2-CB 3.63Å; Y303-V305 HydrophobicContact CE2-CG1 3.88Å; Y303-V305 HydrophobicContact CE2-CG2 4.41Å; Y303-V305 VanDerWaalsContact CZ-CG1 3.42Å; V305-G307 PolarHBondContact O-N 3.47Å; V305-A308 PolarHBondContact N-O 2.98Å; V305-A308 PolarHBondContact O-N 3.42Å; V305-Y310 HydrophobicContact CG1-CD2 4.18Å; V305-Y310 HydrophobicContact CG1-CE2 3.77Å |
| 306 | C | 94.8 | Very high | 95.3 | Very high | 97 Ų | 97 | 43.8 Ų | 43.8 | 66% | 0.655 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 31.3 | -178.8 | -62.2 | 0 | 0 | 0 | 0 | 114.7 | D234 A308 | D234-C306 WeakPolarHBondContact CB-SG 3.27Å; C306-A308 PolarHBondContact O-N 3.32Å |
| 307 | G | 93.8 | Very high | 95.2 | Very high | 90 Ų | 90 | 47.3 Ų | 47.3 | 93% | 0.928 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 4.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | V305 | V305-G307 PolarHBondContact O-N 3.47Š|
| 308 | A | 96.3 | Very high | 95.2 | Very high | 35 Ų | 35 | 48.8 Ų | 48.8 | 29% | 0.289 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 151 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | K304 V305 C306 Y310 | K304-A308 VanDerWaalsContact CA-O 3.3Å; K304-A308 WeakPolarHBondContact CA-O 3.42Å; V305-A308 PolarHBondContact N-O 2.98Å; V305-A308 PolarHBondContact O-N 3.42Å; C306-A308 PolarHBondContact O-N 3.32Å; A308-Y310 HydrophobicContact CB-CE2 3.89Å |
| 309 | E | 97 | Very high | 95.2 | Very high | 108 Ų | 108 | 48 Ų | 48 | 51% | 0.505 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 131.5 | 175.5 | -53.9 | -164.5 | 163.4 | 0 | 0 | 110.9 | Q302 Y303 K304 | Q302-E309 VanDerWaalsContact NE2-CD 3.26Å; Q302-E309 PolarHBondContact NE2-OE1 3.34Å; Q302-E309 PolarHBondContact NE2-OE2 3.37Å; Y303-E309 CarbonylContact O-C 3.55Å; Y303-E309 WeakPolarHBondContact O-CA 3.48Å; K304-E309 HydrophobicContact CD-CG 4.22Å; K304-E309 WeakPolarHBondContact CD-OE1 3.28Å; K304-E309 WeakPolarHBondContact CE-OE1 3.32Å; K304-E309 HydrophobicContact CG-CG 3.97Å |
| 310 | Y | 97.3 | Very high | 95.1 | Very high | 71 Ų | 71 | 51.2 Ų | 51.2 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 143 | 175.9 | -55.9 | -82.8 | 0 | 0 | 0 | 109.2 | K211 L233 Q302 Y303 V305 A308 | K211-Y310 HydrophobicContact CB-CD1 3.9Å; K211-Y310 HydrophobicContact CB-CD2 4.09Å; K211-Y310 HydrophobicContact CB-CE1 4.25Å; K211-Y310 HydrophobicContact CB-CE2 4.42Å; K211-Y310 HydrophobicContact CB-CG 3.81Å; K211-Y310 HydrophobicContact CG-CD1 3.6Å; K211-Y310 HydrophobicContact CG-CD2 4.37Å; K211-Y310 HydrophobicContact CG-CE1 3.54Å; K211-Y310 HydrophobicContact CG-CE2 4.32Å; K211-Y310 HydrophobicContact CG-CG 4.03Å; L233-Y310 HydrophobicContact CD1-CE2 4.23Å; Q302-Y310 WeakPolarHBondContact CA-O 3.4Å; Y303-Y310 AromaticContact CD1-CD2 3.92Å; Y303-Y310 HydrophobicContact CD1-CD2 3.92Å; Y303-Y310 HydrophobicContact CD1-CG 4.49Å; Y303-Y310 HydrophobicContact CE1-CD2 4.36Å; Y303-Y310 PolarHBondContact N-O 3.45Å; Y303-Y310 PolarHBondContact O-N 3.16Å; V305-Y310 HydrophobicContact CG1-CD2 4.18Å; V305-Y310 HydrophobicContact CG1-CE2 3.77Å; A308-Y310 HydrophobicContact CB-CE2 3.89Å |
| 311 | W | 97.2 | Very high | 95 | Very high | 89 Ų | 89 | 51 Ų | 51 | 34% | 0.337 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 131.5 | -176.6 | -74.8 | 86.6 | 0 | 0 | 0 | 110.6 | R242 A300 I301 Q302 | R242-W311 HydrophobicContact CB-CZ3 4.43Å; A300-W311 HydrophobicContact CB-CE3 4.4Å; A300-W311 HydrophobicContact CB-CZ3 4.49Å; I301-W311 CarbonylContact O-C 3.6Å; I301-W311 WeakPolarHBondContact O-CA 3.35Å; Q302-W311 HydrophobicContact CB-CD2 4.15Å; Q302-W311 HydrophobicContact CB-CE3 3.99Å; Q302-W311 HydrophobicContact CB-CH2 3.78Å; Q302-W311 HydrophobicContact CB-CZ2 3.95Å; Q302-W311 HydrophobicContact CB-CZ3 3.81Å; Q302-W311 HydrophobicContact CG-CD2 4.13Å; Q302-W311 HydrophobicContact CG-CE3 4.46Å; Q302-W311 HydrophobicContact CG-CH2 3.98Å; Q302-W311 HydrophobicContact CG-CZ2 3.61Å; Q302-W311 HydrophobicContact CG-CZ3 4.39Å |
| 312 | D | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 102.9 | 163.5 | 179.3 | 9.5 | 0 | 0 | 0 | 109.1 | V212 C213 L214 A300 I301 N314 Y319 | V212-D312 HydrophobicContact CG1-CB 4.08Å; V212-D312 HydrophobicContact CG2-CB 4.34Å; C213-D312 VanDerWaalsContact CA-OD2 3.22Å; C213-D312 WeakPolarHBondContact CA-OD2 3.48Å; L214-D312 PolarHBondContact N-OD2 3.06Å; A300-D312 WeakPolarHBondContact CA-O 3.41Å; I301-D312 HydrophobicContact CB-CB 4.37Å; I301-D312 PolarHBondContact N-O 2.9Å; I301-D312 PolarHBondContact O-N 2.83Å; D312-N314 PolarHBondContact OD1-N 2.91Å; D312-Y319 PolarHBondContact OD1-OH 2.73Å; D312-Y319 WeakPolarHBondContact OD2-CE2 3.32Å; D312-Y319 PolarHBondContact OD2-OH 2.86Å |
| 313 | N | 94.8 | Very high | 94.2 | Very high | 64 Ų | 64 | 52 Ų | 52 | 34% | 0.342 | 30% | 0.297 | S | S | . | . | trans | -114.3 | 22.5 | 175.9 | 67.7 | 4.6 | 0 | 0 | 0 | 111.6 | A300 D315 G316 K317 N318 | A300-N313 HydrophobicContact CB-CB 4.09Å; N313-D315 PolarHBondContact O-N 3.46Å; N313-D315 PolarHBondContact OD1-N 2.84Å; N313-G316 PolarHBondContact O-N 3.27Å; N313-G316 VanDerWaalsContact O-N 3.17Å; N313-G316 PolarHBondContact OD1-N 3.24Å; N313-K317 PolarHBondContact O-N 3.42Å; N313-N318 VanDerWaalsContact O-CA 3.23Å; N313-N318 WeakPolarHBondContact O-CA 3.47Å; N313-N318 PolarHBondContact O-N 3.42Å | ||
| 314 | N | 92.5 | Very high | 93.5 | Very high | 47 Ų | 47 | 55.2 Ų | 55.2 | 25% | 0.251 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 52.8 | 179.6 | -170.7 | 38.3 | 0 | 0 | 0 | 112.6 | D312 G316 K317 N318 Y319 | D312-N314 PolarHBondContact OD1-N 2.91Å; N314-G316 VanDerWaalsContact C-N 3.27Å; N314-G316 PolarHBondContact O-N 3.48Å; N314-K317 WeakPolarHBondContact O-CB 3.42Å; N314-K317 PolarHBondContact O-N 3.08Å; N314-N318 PolarHBondContact ND2-O 3.42Å; N314-N318 VanDerWaalsContact ND2-O 3.14Å; N314-Y319 HydrophobicContact CB-CD1 4.15Å; N314-Y319 HydrophobicContact CB-CD2 4.31Å; N314-Y319 HydrophobicContact CB-CE1 3.82Å; N314-Y319 HydrophobicContact CB-CE2 4.03Å; N314-Y319 HydrophobicContact CB-CG 4.38Å |
| 315 | D | 88.9 | Confident | 92.7 | Very high | 110 Ų | 110 | 55.3 Ų | 55.3 | 59% | 0.588 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 40.8 | -177.5 | -52.1 | -43.1 | 0 | 0 | 0 | 113.5 | Q210 N313 K317 | Q210-D315 PolarHBondContact NE2-OD1 2.84Å; N313-D315 PolarHBondContact O-N 3.46Å; N313-D315 PolarHBondContact OD1-N 2.84Å; D315-K317 VanDerWaalsContact C-N 3.27Å; D315-K317 PolarHBondContact O-N 3.06Å |
| 316 | G | 88.9 | Confident | 91.3 | Very high | 53 Ų | 53 | 61.1 Ų | 61.1 | 55% | 0.546 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | -0 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | N313 N314 | N313-G316 PolarHBondContact O-N 3.27Å; N313-G316 VanDerWaalsContact O-N 3.17Å; N313-G316 PolarHBondContact OD1-N 3.24Å; N314-G316 VanDerWaalsContact C-N 3.27Å; N314-G316 PolarHBondContact O-N 3.48Å |
| 317 | K | 89.1 | Confident | 90.1 | Very high | 143 Ų | 143 | 62.8 Ų | 62.8 | 62% | 0.622 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -18 | 176.7 | -63.8 | 173.1 | -175.4 | 163.7 | 0 | 113 | N313 N314 D315 K320 | N313-K317 PolarHBondContact O-N 3.42Å; N314-K317 WeakPolarHBondContact O-CB 3.42Å; N314-K317 PolarHBondContact O-N 3.08Å; D315-K317 VanDerWaalsContact C-N 3.27Å; D315-K317 PolarHBondContact O-N 3.06Å; K317-K320 VanDerWaalsContact O-CE 3.26Å; K317-K320 WeakPolarHBondContact O-CE 3.42Å |
| 318 | N | 93.9 | Very high | 88.8 | Confident | 30 Ų | 30 | 62.1 Ų | 62.1 | 16% | 0.16 | 31% | 0.308 | C | S | . | . | trans | 57.3 | 166.5 | -165.9 | -58.1 | -40.3 | 0 | 0 | 0 | 113.1 | W248 N313 N314 | W248-N318 HydrophobicContact CZ2-CB 4.39Å; W248-N318 WeakPolarHBondContact CZ2-ND2 3.41Å; W248-N318 PolarHBondContact NE1-ND2 3.32Å; N313-N318 VanDerWaalsContact O-CA 3.23Å; N313-N318 WeakPolarHBondContact O-CA 3.47Å; N313-N318 PolarHBondContact O-N 3.42Å; N314-N318 PolarHBondContact ND2-O 3.42Å; N314-N318 VanDerWaalsContact ND2-O 3.14Å | ||
| 319 | Y | 95.4 | Very high | 87.2 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 129.6 | 170 | -66 | -70.4 | 0 | 0 | 0 | 109.9 | P197 L214 E298 F299 I301 D312 N314 | P197-Y319 HydrophobicContact CB-CE1 4.39Å; P197-Y319 HydrophobicContact CG-CD1 4.41Å; P197-Y319 HydrophobicContact CG-CE1 3.69Å; L214-Y319 HydrophobicContact CB-CD2 4.36Å; L214-Y319 HydrophobicContact CB-CE1 4.12Å; L214-Y319 HydrophobicContact CB-CE2 3.63Å; L214-Y319 VanDerWaalsContact CB-CZ 3.49Å; L214-Y319 HydrophobicContact CD2-CD1 3.46Å; L214-Y319 VanDerWaalsContact CD2-CD1 3.46Å; L214-Y319 HydrophobicContact CD2-CD2 3.68Å; L214-Y319 HydrophobicContact CD2-CE1 3.56Å; L214-Y319 HydrophobicContact CD2-CE2 3.74Å; L214-Y319 HydrophobicContact CD2-CG 3.52Å; L214-Y319 HydrophobicContact CG-CE1 4.45Å; L214-Y319 HydrophobicContact CG-CE2 4.37Å; E298-Y319 CarbonylContact C-O 3.58Å; E298-Y319 VanDerWaalsContact CA-O 3.23Å; E298-Y319 WeakPolarHBondContact CA-O 3.41Å; F299-Y319 HydrophobicContact CD2-CD2 4.25Å; F299-Y319 VanDerWaalsContact CE1-CB 3.44Å; F299-Y319 AromaticContact CE2-CD2 3.84Å; F299-Y319 HydrophobicContact CE2-CD2 3.84Å; F299-Y319 AromaticContact CE2-CG 3.92Å; F299-Y319 HydrophobicContact CE2-CG 3.92Å; F299-Y319 HydrophobicContact CZ-CD2 4.32Å; F299-Y319 AromaticContact CZ-CG 3.92Å; F299-Y319 HydrophobicContact CZ-CG 3.92Å; F299-Y319 PolarHBondContact N-O 3.1Å; F299-Y319 PolarHBondContact O-N 3.27Å; I301-Y319 HydrophobicContact CD1-CE2 4.44Å; D312-Y319 PolarHBondContact OD1-OH 2.73Å; D312-Y319 WeakPolarHBondContact OD2-CE2 3.32Å; D312-Y319 PolarHBondContact OD2-OH 2.86Å; N314-Y319 HydrophobicContact CB-CD1 4.15Å; N314-Y319 HydrophobicContact CB-CD2 4.31Å; N314-Y319 HydrophobicContact CB-CE1 3.82Å; N314-Y319 HydrophobicContact CB-CE2 4.03Å; N314-Y319 HydrophobicContact CB-CG 4.38Å |
| 320 | K | 94.7 | Very high | 85.6 | Confident | 69 Ų | 69 | 59.1 Ų | 59.1 | 30% | 0.3 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 132 | -173.1 | -66.8 | 177.9 | 172.6 | 179 | 0 | 110.9 | V192 Q296 L297 E298 K317 | V192-K320 HydrophobicContact CB-CB 4.02Å; V192-K320 HydrophobicContact CG2-CB 4.09Å; V192-K320 PolarHBondContact N-O 3.34Å; Q296-K320 HydrophobicContact CG-CB 4.5Å; L297-K320 CarbonylContact O-C 3.6Å; L297-K320 WeakPolarHBondContact O-CA 3.26Å; E298-K320 HydrophobicContact CG-CG 4.12Å; E298-K320 WeakPolarHBondContact OE1-CE 3.31Å; E298-K320 IonicContact OE1-NZ 3.4Å; K317-K320 VanDerWaalsContact O-CE 3.26Å; K317-K320 WeakPolarHBondContact O-CE 3.42Å |
| 321 | L | 93.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 133.6 | 168.9 | -46.8 | -178.4 | 0 | 0 | 0 | 108.7 | L189 K190 P191 V217 I224 Q296 L297 F299 | L189-L321 HydrophobicContact CB-CB 4.43Å; L189-L321 HydrophobicContact CD2-CB 4.41Å; K190-L321 CarbonylContact O-C 3.59Å; K190-L321 WeakPolarHBondContact O-CA 3.49Å; P191-L321 VanDerWaalsContact CA-CD2 3.45Å; P191-L321 HydrophobicContact CB-CD2 3.61Å; P191-L321 HydrophobicContact CG-CD2 3.81Å; V217-L321 HydrophobicContact CG1-CD1 4.25Å; V217-L321 HydrophobicContact CG1-CD2 4.16Å; I224-L321 HydrophobicContact CB-CD1 4.48Å; I224-L321 HydrophobicContact CD1-CD1 3.86Å; I224-L321 HydrophobicContact CG1-CD1 3.95Å; I224-L321 HydrophobicContact CG2-CD1 3.72Å; Q296-L321 CarbonylContact C-O 3.46Å; Q296-L321 WeakPolarHBondContact CA-O 3.49Å; L297-L321 HydrophobicContact CB-CB 4.34Å; L297-L321 HydrophobicContact CD2-CD1 4.14Å; L297-L321 PolarHBondContact N-O 3.32Å; L297-L321 PolarHBondContact O-N 3.16Å; F299-L321 HydrophobicContact CE1-CD1 4.38Å; F299-L321 HydrophobicContact CE1-CD2 4.4Å; F299-L321 HydrophobicContact CE1-CG 4.17Å |
| 322 | V | 91.8 | Very high | 82 | Confident | 28 Ų | 28 | 61.6 Ų | 61.6 | 17% | 0.17 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 135 | 179.8 | 170.8 | 0 | 0 | 0 | 0 | 110 | K190 V192 Q296 Q324 | K190-V322 PolarHBondContact N-O 3.17Å; K190-V322 PolarHBondContact O-N 3.43Å; V192-V322 HydrophobicContact CG2-CB 4.04Å; V192-V322 HydrophobicContact CG2-CG2 3.43Å; V192-V322 VanDerWaalsContact CG2-CG2 3.43Å; Q296-V322 HydrophobicContact CB-CG2 4.48Å; Q296-V322 HydrophobicContact CG-CG2 4.23Å; V322-Q324 HydrophobicContact CG1-CG 4.32Å; V322-Q324 PolarHBondContact O-N 3.15Å |
| 323 | C | 88.5 | Confident | 80.2 | Confident | 3 Ų | 3 | 68.6 Ų | 68.6 | 2% | 0.02 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 119.4 | 173.4 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | Y188 L189 G294 A295 | Y188-C323 CarbonylContact O-C 3.55Å; Y188-C323 WeakPolarHBondContact O-CA 3.31Å; L189-C323 HydrophobicContact CD2-CB 3.9Å; G294-C323 PolarHBondContact N-O 2.82Å; A295-C323 HydrophobicContact CB-CB 4.24Å; A295-C323 PolarHBondContact O-N 3.18Å |
| 324 | Q | 83.7 | Confident | 78.1 | Confident | 68 Ų | 68 | 68.4 Ų | 68.4 | 32% | 0.318 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 154.6 | 175.5 | -64.9 | -177.4 | 1.5 | 0 | 0 | 108.8 | P187 Y188 V322 | P187-Q324 CarbonylContact C-O 3.45Å; P187-Q324 WeakPolarHBondContact CA-O 3.46Å; Y188-Q324 HydrophobicContact CD1-CB 4.23Å; Y188-Q324 WeakPolarHBondContact CD1-O 3.5Å; Y188-Q324 HydrophobicContact CE1-CB 3.57Å; Y188-Q324 HydrophobicContact CE2-CB 4.29Å; Y188-Q324 PolarHBondContact N-O 3.47Å; Y188-Q324 PolarHBondContact O-N 3.26Å; Y188-Q324 PolarHBondContact OH-OE1 3.34Å; V322-Q324 HydrophobicContact CG1-CG 4.32Å; V322-Q324 PolarHBondContact O-N 3.15Å |
| 325 | N | 80.1 | Confident | 76.3 | Confident | 52 Ų | 52 | 69.1 Ų | 69.1 | 28% | 0.278 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.6 | 172.1 | -79.6 | 2.2 | 0 | 0 | 0 | 109.2 | N185 L186 P187 P293 K327 | N185-N325 HydrophobicContact CB-CB 4.48Å; N185-N325 PolarHBondContact OD1-ND2 2.78Å; L186-N325 WeakPolarHBondContact O-CA 3.33Å; P187-N325 WeakPolarHBondContact CA-OD1 3.25Å; P293-N325 WeakPolarHBondContact CG-ND2 3.35Å; P293-N325 WeakPolarHBondContact CG-OD1 3.37Å; N325-K327 PolarHBondContact O-N 2.86Å |
| 326 | Y | 68.8 | Low | 74.4 | Confident | 125 Ų | 125 | 68.9 Ų | 68.9 | 49% | 0.49 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 122.1 | 159.5 | -79.6 | -64.4 | 0 | 0 | 0 | 108 | N185 L186 Y188 | N185-Y326 WeakPolarHBondContact CA-O 3.35Å; L186-Y326 PolarHBondContact N-O 2.85Å; L186-Y326 PolarHBondContact O-N 2.74Å; Y188-Y326 AromaticContact CD1-CD2 3.04Å; Y188-Y326 HydrophobicContact CD1-CD2 3.04Å; Y188-Y326 AromaticContact CD1-CE2 3.22Å; Y188-Y326 HydrophobicContact CD1-CE2 3.22Å; Y188-Y326 AromaticContact CD1-CG 3.85Å; Y188-Y326 HydrophobicContact CD1-CG 3.85Å; Y188-Y326 HydrophobicContact CD2-CD2 4.29Å; Y188-Y326 AromaticContact CD2-CE2 3.6Å; Y188-Y326 HydrophobicContact CD2-CE2 3.6Å; Y188-Y326 AromaticContact CE1-CD1 3.93Å; Y188-Y326 HydrophobicContact CE1-CD1 3.93Å; Y188-Y326 AromaticContact CE1-CD2 3.04Å; Y188-Y326 HydrophobicContact CE1-CD2 3.04Å; Y188-Y326 AromaticContact CE1-CE1 3.93Å; Y188-Y326 HydrophobicContact CE1-CE1 3.93Å; Y188-Y326 AromaticContact CE1-CE2 3.06Å; Y188-Y326 HydrophobicContact CE1-CE2 3.06Å; Y188-Y326 AromaticContact CE1-CG 3.48Å; Y188-Y326 HydrophobicContact CE1-CG 3.48Å; Y188-Y326 VanDerWaalsContact CE1-CG 3.48Å; Y188-Y326 AromaticContact CE1-CZ 3.51Å; Y188-Y326 HydrophobicContact CE2-CD2 4.28Å; Y188-Y326 AromaticContact CE2-CE2 3.44Å; Y188-Y326 HydrophobicContact CE2-CE2 3.44Å; Y188-Y326 VanDerWaalsContact CE2-CE2 3.44Å; Y188-Y326 AromaticContact CE2-CZ 3.62Å; Y188-Y326 WeakPolarHBondContact CE2-OH 3.42Å; Y188-Y326 AromaticContact CG-CD2 3.71Å; Y188-Y326 HydrophobicContact CG-CD2 3.71Å; Y188-Y326 AromaticContact CG-CE2 3.49Å; Y188-Y326 HydrophobicContact CG-CE2 3.49Å; Y188-Y326 VanDerWaalsContact CG-CE2 3.49Å; Y188-Y326 AromaticContact CZ-CD2 3.7Å; Y188-Y326 AromaticContact CZ-CE1 3.8Å; Y188-Y326 AromaticContact CZ-CE2 3.16Å; Y188-Y326 AromaticContact CZ-CZ 3.19Å; Y188-Y326 VanDerWaalsContact OH-CZ 3.31Å; Y188-Y326 PolarHBondContact OH-OH 2.84Å |
| 327 | K | 68.9 | Low | 72.6 | Confident | 133 Ų | 133 | 69.8 Ų | 69.8 | 58% | 0.578 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 104.9 | 166.9 | -70.2 | -175.9 | 169.1 | -130.9 | 0 | 107.9 | E183 N325 | E183-K327 IonicContact OE1-NZ 3.41Å; E183-K327 PolarHBondContact OE1-NZ 2.86Å; E183-K327 IonicContact OE2-NZ 3.58Å; E183-K327 PolarHBondContact OE2-NZ 3.05Å; N325-K327 PolarHBondContact O-N 2.86Å |
| 328 | L | 66.3 | Low | 70.7 | Confident | 75 Ų | 75 | 67 Ų | 67 | 39% | 0.393 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 116.2 | 168.6 | -61.6 | -179.5 | 0 | 0 | 0 | 108.6 | I184 L186 V330 | I184-L328 HydrophobicContact CB-CB 4.27Å; I184-L328 PolarHBondContact N-O 2.85Å; I184-L328 PolarHBondContact O-N 2.81Å; L186-L328 HydrophobicContact CD1-CD1 3.53Å; L186-L328 HydrophobicContact CD1-CG 4.37Å; L186-L328 HydrophobicContact CG-CD1 4.47Å; L328-V330 PolarHBondContact O-N 3.14Å |
| 329 | A | 64.2 | Low | 68.6 | Low | 65 Ų | 65 | 68.8 Ų | 68.8 | 54% | 0.537 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 115.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | H181 P331 | H181-A329 VanDerWaalsContact CD2-CA 3.5Å; H181-A329 WeakPolarHBondContact CD2-CA 3.46Å; H181-A329 VanDerWaalsContact NE2-C 3.26Å; H181-A329 WeakPolarHBondContact NE2-CA 3.14Å; H181-A329 WeakPolarHBondContact NE2-CB 3.46Å; A329-P331 VanDerWaalsContact O-CD 3.26Å; A329-P331 WeakPolarHBondContact O-CD 3.25Å |
| 330 | V | 61.6 | Low | 66.1 | Low | 15 Ų | 15 | 76.2 Ų | 76.2 | 9% | 0.091 | 39% | 0.392 | C | S | . | . | trans | -67.6 | 112.8 | 178.1 | 171.9 | 0 | 0 | 0 | 0 | 109.2 | H181 L182 I184 L328 K332 C334 | H181-V330 PolarHBondContact CE1-O 2.86Å; H181-V330 PolarHBondContact NE2-N 2.92Å; H181-V330 VanDerWaalsContact NE2-N 3.19Å; H181-V330 PolarHBondContact NE2-O 2.72Å; L182-V330 HydrophobicContact CB-CB 4.08Å; L182-V330 HydrophobicContact CB-CG2 3.75Å; L182-V330 WeakPolarHBondContact O-CG2 3.24Å; L182-V330 PolarHBondContact O-N 3.01Å; I184-V330 HydrophobicContact CD1-CG2 3.69Å; I184-V330 HydrophobicContact CG1-CG2 3.8Å; L328-V330 PolarHBondContact O-N 3.14Å; V330-K332 PolarHBondContact O-N 2.9Å; V330-C334 HydrophobicContact CG1-CB 3.77Å | ||
| 331 | P | 61.8 | Low | 63.4 | Low | 62 Ų | 62 | 81 Ų | 81 | 40% | 0.403 | 41% | 0.413 | S | S | . | . | trans | -51.8 | 138.8 | -179.1 | -25.1 | 34.6 | 0 | 0 | 0 | 111.5 | A329 E333 C334 | A329-P331 VanDerWaalsContact O-CD 3.26Å; A329-P331 WeakPolarHBondContact O-CD 3.25Å; P331-E333 PolarHBondContact O-N 3.19Å; P331-C334 WeakPolarHBondContact O-CA 3.47Å; P331-C334 WeakPolarHBondContact O-CB 3.46Å; P331-C334 PolarHBondContact O-N 3.38Å | ||
| 332 | K | 58.3 | Low | 60.7 | Low | 151 Ų | 151 | 89.5 Ų | 89.5 | 66% | 0.657 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -55 | -29.3 | -176.4 | -66.9 | -172.8 | 175.4 | -173.5 | 0 | 113 | V330 C334 E335 D336 | V330-K332 PolarHBondContact O-N 2.9Å; K332-C334 PolarHBondContact O-N 3.24Å; K332-E335 WeakPolarHBondContact O-CB 3.45Å; K332-E335 PolarHBondContact O-N 2.8Å; K332-E335 VanDerWaalsContact O-N 3.09Å; K332-D336 PolarHBondContact O-N 2.98Å |
| 333 | E | 58.2 | Low | 59.2 | Low | 146 Ų | 146 | 92.6 Ų | 92.6 | 68% | 0.682 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.1 | -25.2 | 175.3 | -52.1 | 111.3 | -137.8 | 0 | 0 | 113.6 | P331 S337 | P331-E333 PolarHBondContact O-N 3.19Å; E333-S337 PolarHBondContact O-OG 3.11Å |
| 334 | C | 51.1 | Low | 57.6 | Low | 60 Ų | 60 | 97.3 Ų | 97.3 | 41% | 0.405 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -82.9 | -24.3 | 173.5 | -70.2 | 0 | 0 | 0 | 0 | 112.7 | V330 P331 K332 D336 S337 M338 | V330-C334 HydrophobicContact CG1-CB 3.77Å; P331-C334 WeakPolarHBondContact O-CA 3.47Å; P331-C334 WeakPolarHBondContact O-CB 3.46Å; P331-C334 PolarHBondContact O-N 3.38Å; K332-C334 PolarHBondContact O-N 3.24Å; C334-D336 VanDerWaalsContact C-N 3.32Å; C334-S337 PolarHBondContact O-N 2.82Å; C334-M338 WeakPolarHBondContact O-CG 3.2Å; C334-M338 PolarHBondContact O-N 3.02Å |
| 335 | E | 54.2 | Low | 56.2 | Low | 62 Ų | 62 | 98.9 Ų | 98.9 | 29% | 0.29 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 172.1 | -62.2 | 174.5 | 173 | 0 | 0 | 108.8 | H181 K332 S337 M338 V339 | H181-E335 IonicContact CE1-OE1 2.95Å; H181-E335 IonicContact ND1-OE1 2.68Å; H181-E335 PolarHBondContact ND1-OE1 3.38Å; H181-E335 VanDerWaalsContact ND1-OE1 3.08Å; K332-E335 WeakPolarHBondContact O-CB 3.45Å; K332-E335 PolarHBondContact O-N 2.8Å; K332-E335 VanDerWaalsContact O-N 3.09Å; E335-S337 PolarHBondContact O-N 3.08Å; E335-M338 PolarHBondContact O-N 3.23Å; E335-V339 WeakPolarHBondContact O-CG2 3.21Å |
| 336 | D | 50.3 | Low | 54.8 | Low | 106 Ų | 106 | 101.7 Ų | 101.7 | 57% | 0.567 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66 | -35.5 | 178.5 | -69.4 | -29.1 | 0 | 0 | 0 | 113.7 | K332 C334 M338 V339 H340 | K332-D336 PolarHBondContact O-N 2.98Å; C334-D336 VanDerWaalsContact C-N 3.32Å; D336-M338 VanDerWaalsContact C-N 3.31Å; D336-M338 PolarHBondContact O-N 3.11Å; D336-V339 WeakPolarHBondContact O-CB 3.46Å; D336-V339 WeakPolarHBondContact O-CG2 3.1Å; D336-V339 PolarHBondContact O-N 3.2Å; D336-V339 VanDerWaalsContact O-N 3.17Å; D336-H340 PolarHBondContact O-CD2 3.39Å |
| 337 | S | 50.7 | Low | 53.9 | Low | 72 Ų | 72 | 100.3 Ų | 100.3 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.7 | -24.6 | 177.3 | -66.5 | 0 | 0 | 0 | 0 | 113.5 | E333 C334 E335 V339 | E333-S337 PolarHBondContact O-OG 3.11Å; C334-S337 PolarHBondContact O-N 2.82Å; E335-S337 PolarHBondContact O-N 3.08Å; S337-V339 VanDerWaalsContact C-N 3.26Å |
| 338 | M | 49.1 | Very low | 52.9 | Low | 83 Ų | 83 | 98.1 Ų | 98.1 | 41% | 0.409 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -74.4 | -17 | 172.3 | -75.2 | 176.1 | 38.2 | 0 | 0 | 112.9 | M176 L182 C334 E335 D336 | M176-M338 HydrophobicContact SD-CE 4.06Å; L182-M338 HydrophobicContact CD2-CE 4.3Å; C334-M338 WeakPolarHBondContact O-CG 3.2Å; C334-M338 PolarHBondContact O-N 3.02Å; E335-M338 PolarHBondContact O-N 3.23Å; D336-M338 VanDerWaalsContact C-N 3.31Å; D336-M338 PolarHBondContact O-N 3.11Å |
| 339 | V | 49.7 | Very low | 52 | Low | 69 Ų | 69 | 99.7 Ų | 99.7 | 42% | 0.418 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -85.3 | -16 | 179.8 | -152.2 | 0 | 0 | 0 | 0 | 112.2 | E335 D336 S337 F341 I342 | E335-V339 WeakPolarHBondContact O-CG2 3.21Å; D336-V339 WeakPolarHBondContact O-CB 3.46Å; D336-V339 WeakPolarHBondContact O-CG2 3.1Å; D336-V339 PolarHBondContact O-N 3.2Å; D336-V339 VanDerWaalsContact O-N 3.17Å; S337-V339 VanDerWaalsContact C-N 3.26Å; V339-F341 VanDerWaalsContact C-N 3.33Å; V339-F341 PolarHBondContact O-N 3.39Å; V339-I342 HydrophobicContact CG1-CD1 3.62Å; V339-I342 VanDerWaalsContact O-CD1 3.25Å; V339-I342 WeakPolarHBondContact O-CD1 3.41Å; V339-I342 WeakPolarHBondContact O-CG1 3.27Å |
| 340 | H | 42.7 | Very low | 51 | Low | 157 Ų | 157 | 102.4 Ų | 102.4 | 73% | 0.727 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -0 | -174.1 | -77.3 | -63 | 0 | 0 | 0 | 115.8 | D336 | D336-H340 PolarHBondContact O-CD2 3.39Š|
| 341 | F | 38.6 | Very low | 50.1 | Low | 170 Ų | 170 | 109.7 Ų | 109.7 | 75% | 0.746 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 26.6 | 173 | -64.6 | -81.2 | 0 | 0 | 0 | 112.9 | R169 V339 | R169-F341 PolarHBondContact NH1-O 3.29Å; R169-F341 PolarHBondContact NH2-O 3.27Å; V339-F341 VanDerWaalsContact C-N 3.33Å; V339-F341 PolarHBondContact O-N 3.39Å |
| 342 | I | 37.2 | Very low | 49.1 | Very low | 178 Ų | 178 | 114 Ų | 114 | 91% | 0.913 | 57% | 0.574 | S | S | * | * | trans | -70.3 | 0 | 174.7 | -67.5 | 170.3 | 0 | 0 | 0 | 111.4 | V339 | V339-I342 HydrophobicContact CG1-CD1 3.62Å; V339-I342 VanDerWaalsContact O-CD1 3.25Å; V339-I342 WeakPolarHBondContact O-CD1 3.41Å; V339-I342 WeakPolarHBondContact O-CG1 3.27Å |
Retrieved 342 of 342 residues in 137.6 ms
(Link to these results)