| 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 | 52.1 | Low | 56 | Low | 213 Ų | 213 | 146.8 Ų | 146.8 | 100% | 1.049 | 69% | 0.685 | S | S | * | * | 0 | -59.5 | 0 | -140.2 | 165.9 | -170.4 | 0 | 0 | 112.2 | W3 R4 | M1-W3 VanDerWaalsContact C-N 3.31Å; M1-W3 PolarHBondContact O-N 3.1Å; M1-W3 VanDerWaalsContact O-N 3.11Å; M1-R4 PolarHBondContact O-N 3.5Å | |||
| 2 | I | 55.6 | Low | 57.1 | Low | 122 Ų | 122 | 141.3 Ų | 141.3 | 63% | 0.626 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -46 | -44 | -174.7 | -63.4 | 165.2 | 0 | 0 | 0 | 114.6 | R4 L5 F6 | I2-R4 VanDerWaalsContact C-N 3.31Å; I2-R4 PolarHBondContact O-N 3.36Å; I2-L5 WeakPolarHBondContact O-CB 3.2Å; I2-L5 PolarHBondContact O-N 3.24Å; I2-F6 HydrophobicContact CG2-CD2 4Å; I2-F6 HydrophobicContact CG2-CE2 4.26Å; I2-F6 PolarHBondContact O-N 3.46Å |
| 3 | W | 43.4 | Very low | 58 | Low | 232 Ų | 232 | 141.8 Ų | 141.8 | 88% | 0.879 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -57.4 | -35.4 | 179.3 | -113.8 | 71.6 | 0 | 0 | 0 | 114.5 | M1 L5 F6 S7 | M1-W3 VanDerWaalsContact C-N 3.31Å; M1-W3 PolarHBondContact O-N 3.1Å; M1-W3 VanDerWaalsContact O-N 3.11Å; W3-L5 VanDerWaalsContact C-N 3.35Å; W3-F6 PolarHBondContact O-N 2.96Å; W3-S7 WeakPolarHBondContact O-CB 3.18Å; W3-S7 PolarHBondContact O-N 2.93Å |
| 4 | R | 51.4 | Low | 58.4 | Low | 214 Ų | 214 | 143.6 Ų | 143.6 | 81% | 0.808 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -70.8 | -30.5 | 175.2 | -75.3 | -170.9 | 176.4 | -177.6 | -1.4 | 112.4 | M1 I2 N8 | M1-R4 PolarHBondContact O-N 3.5Å; I2-R4 VanDerWaalsContact C-N 3.31Å; I2-R4 PolarHBondContact O-N 3.36Å; R4-N8 PolarHBondContact O-N 3.22Å |
| 5 | L | 53.2 | Low | 58.9 | Low | 112 Ų | 112 | 137.9 Ų | 137.9 | 59% | 0.586 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -72.7 | -37.7 | 175.7 | -66.7 | 171.3 | 0 | 0 | 0 | 111.6 | I2 W3 K9 | I2-L5 WeakPolarHBondContact O-CB 3.2Å; I2-L5 PolarHBondContact O-N 3.24Å; W3-L5 VanDerWaalsContact C-N 3.35Å; L5-K9 WeakPolarHBondContact O-CB 3.31Å; L5-K9 WeakPolarHBondContact O-CG 3.26Å; L5-K9 PolarHBondContact O-N 3.23Å |
| 6 | F | 52.8 | Low | 59.4 | Low | 147 Ų | 147 | 135.1 Ų | 135.1 | 65% | 0.645 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.2 | -47.3 | 171.3 | -96.6 | -88.9 | 0 | 0 | 0 | 111.8 | I2 W3 N8 K9 V10 | I2-F6 HydrophobicContact CG2-CD2 4Å; I2-F6 HydrophobicContact CG2-CE2 4.26Å; I2-F6 PolarHBondContact O-N 3.46Å; W3-F6 PolarHBondContact O-N 2.96Å; F6-N8 PolarHBondContact O-N 3Å; F6-K9 PolarHBondContact O-N 3.41Å; F6-V10 WeakPolarHBondContact O-CG2 3.41Å; F6-V10 PolarHBondContact O-N 2.99Å |
| 7 | S | 60.5 | Low | 59.5 | Low | 69 Ų | 69 | 131.9 Ų | 131.9 | 48% | 0.483 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -57.1 | -50.5 | 177.5 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | W3 K9 V10 F11 | W3-S7 WeakPolarHBondContact O-CB 3.18Å; W3-S7 PolarHBondContact O-N 2.93Å; S7-K9 PolarHBondContact O-N 2.91Å; S7-V10 PolarHBondContact O-N 3.28Å; S7-F11 WeakPolarHBondContact O-CB 3.37Å; S7-F11 PolarHBondContact O-N 2.94Å |
| 8 | N | 58.3 | Low | 59.4 | Low | 111 Ų | 111 | 129.4 Ų | 129.4 | 59% | 0.594 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.9 | -38.4 | 177.2 | -82.5 | 13.3 | 0 | 0 | 0 | 112.9 | R4 F6 F11 V12 | R4-N8 PolarHBondContact O-N 3.22Å; F6-N8 PolarHBondContact O-N 3Å; N8-F11 PolarHBondContact O-N 2.94Å; N8-V12 WeakPolarHBondContact O-CB 3.3Å; N8-V12 VanDerWaalsContact O-CG2 3.27Å; N8-V12 WeakPolarHBondContact O-CG2 3.46Å; N8-V12 PolarHBondContact O-N 3.45Å |
| 9 | K | 61.1 | Low | 59.1 | Low | 164 Ų | 164 | 129.5 Ų | 129.5 | 71% | 0.713 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.1 | -40.7 | 176.7 | -81.4 | -170.9 | 173.1 | -170.4 | 0 | 112.4 | L5 F6 S7 F13 | L5-K9 WeakPolarHBondContact O-CB 3.31Å; L5-K9 WeakPolarHBondContact O-CG 3.26Å; L5-K9 PolarHBondContact O-N 3.23Å; F6-K9 PolarHBondContact O-N 3.41Å; S7-K9 PolarHBondContact O-N 2.91Å; K9-F13 WeakPolarHBondContact O-CB 3.3Å; K9-F13 PolarHBondContact O-N 2.87Å |
| 10 | V | 66.1 | Low | 58.4 | Low | 83 Ų | 83 | 129.9 Ų | 129.9 | 50% | 0.503 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.1 | -42.5 | 175.2 | 173 | 0 | 0 | 0 | 0 | 110.7 | F6 S7 F13 W14 | F6-V10 WeakPolarHBondContact O-CG2 3.41Å; F6-V10 PolarHBondContact O-N 2.99Å; S7-V10 PolarHBondContact O-N 3.28Å; V10-F13 PolarHBondContact O-N 3.4Å; V10-W14 WeakPolarHBondContact O-CB 3.4Å; V10-W14 PolarHBondContact O-N 3.35Å |
| 11 | F | 61.4 | Low | 57.7 | Low | 148 Ų | 148 | 129.3 Ų | 129.3 | 65% | 0.649 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.7 | -44.1 | 177.7 | -138.6 | -87.7 | 0 | 0 | 0 | 111.8 | S7 N8 W14 T15 | S7-F11 WeakPolarHBondContact O-CB 3.37Å; S7-F11 PolarHBondContact O-N 2.94Å; N8-F11 PolarHBondContact O-N 2.94Å; F11-W14 PolarHBondContact O-N 3.35Å; F11-T15 HydrophobicContact CD1-CG2 4.19Å; F11-T15 HydrophobicContact CE1-CG2 4.41Å; F11-T15 WeakPolarHBondContact O-CG2 3.4Å; F11-T15 PolarHBondContact O-N 2.88Å; F11-T15 PolarHBondContact O-OG1 3.26Å; F11-T15 VanDerWaalsContact O-OG1 3.11Å |
| 12 | V | 69.8 | Low | 57.2 | Low | 81 Ų | 81 | 123.1 Ų | 123.1 | 49% | 0.491 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64 | -40.3 | 175 | 168.9 | 0 | 0 | 0 | 0 | 111.4 | N8 T15 I16 | N8-V12 WeakPolarHBondContact O-CB 3.3Å; N8-V12 VanDerWaalsContact O-CG2 3.27Å; N8-V12 WeakPolarHBondContact O-CG2 3.46Å; N8-V12 PolarHBondContact O-N 3.45Å; V12-T15 WeakPolarHBondContact CA-OG1 3.34Å; V12-T15 PolarHBondContact O-N 2.94Å; V12-T15 PolarHBondContact O-OG1 2.97Å; V12-T15 VanDerWaalsContact O-OG1 3.07Å; V12-I16 HydrophobicContact CG1-CD1 3.68Å; V12-I16 HydrophobicContact CG1-CG1 4.4Å; V12-I16 WeakPolarHBondContact O-CB 3.28Å; V12-I16 VanDerWaalsContact O-CG1 3.24Å; V12-I16 WeakPolarHBondContact O-CG1 3.43Å; V12-I16 PolarHBondContact O-N 3.45Å |
| 13 | F | 68.6 | Low | 56.5 | Low | 147 Ų | 147 | 123.9 Ų | 123.9 | 65% | 0.645 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.4 | -41.5 | 176.5 | -153.7 | -89.9 | 0 | 0 | 0 | 111.6 | K9 V10 I16 L17 | K9-F13 WeakPolarHBondContact O-CB 3.3Å; K9-F13 PolarHBondContact O-N 2.87Å; V10-F13 PolarHBondContact O-N 3.4Å; F13-I16 PolarHBondContact O-N 3.32Å; F13-L17 HydrophobicContact CE1-CD1 4.16Å; F13-L17 PolarHBondContact O-N 3.46Å |
| 14 | W | 63.6 | Low | 56.4 | Low | 167 Ų | 167 | 118.7 Ų | 118.7 | 63% | 0.633 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.2 | -41.8 | 173.4 | -96.3 | 72.7 | 0 | 0 | 0 | 112.8 | V10 F11 I16 L17 L18 | V10-W14 WeakPolarHBondContact O-CB 3.4Å; V10-W14 PolarHBondContact O-N 3.35Å; F11-W14 PolarHBondContact O-N 3.35Å; W14-I16 VanDerWaalsContact C-N 3.32Å; W14-I16 PolarHBondContact O-N 2.88Å; W14-L17 PolarHBondContact O-N 2.92Å; W14-L18 HydrophobicContact CE3-CD1 4.25Å; W14-L18 WeakPolarHBondContact O-CB 3.4Å; W14-L18 PolarHBondContact O-N 2.93Å |
| 15 | T | 65.6 | Low | 55.7 | Low | 58 Ų | 58 | 112.4 Ų | 112.4 | 36% | 0.356 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.1 | -28.1 | 175.7 | 53.2 | 0 | 0 | 0 | 0 | 112.8 | F11 V12 M19 | F11-T15 HydrophobicContact CD1-CG2 4.19Å; F11-T15 HydrophobicContact CE1-CG2 4.41Å; F11-T15 WeakPolarHBondContact O-CG2 3.4Å; F11-T15 PolarHBondContact O-N 2.88Å; F11-T15 PolarHBondContact O-OG1 3.26Å; F11-T15 VanDerWaalsContact O-OG1 3.11Å; V12-T15 WeakPolarHBondContact CA-OG1 3.34Å; V12-T15 PolarHBondContact O-N 2.94Å; V12-T15 PolarHBondContact O-OG1 2.97Å; V12-T15 VanDerWaalsContact O-OG1 3.07Å; T15-M19 WeakPolarHBondContact O-CB 3.25Å; T15-M19 VanDerWaalsContact O-CG 3.31Å; T15-M19 WeakPolarHBondContact O-CG 3.44Å; T15-M19 PolarHBondContact O-N 3.29Å |
| 16 | I | 67.1 | Low | 54.8 | Low | 93 Ų | 93 | 113.9 Ų | 113.9 | 48% | 0.477 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -75 | -34 | 171.8 | -70.5 | 168.7 | 0 | 0 | 0 | 111 | V12 F13 W14 K20 | V12-I16 HydrophobicContact CG1-CD1 3.68Å; V12-I16 HydrophobicContact CG1-CG1 4.4Å; V12-I16 WeakPolarHBondContact O-CB 3.28Å; V12-I16 VanDerWaalsContact O-CG1 3.24Å; V12-I16 WeakPolarHBondContact O-CG1 3.43Å; V12-I16 PolarHBondContact O-N 3.45Å; F13-I16 PolarHBondContact O-N 3.32Å; W14-I16 VanDerWaalsContact C-N 3.32Å; W14-I16 PolarHBondContact O-N 2.88Å; I16-K20 WeakPolarHBondContact O-CB 3.26Å; I16-K20 WeakPolarHBondContact O-CG 3.1Å; I16-K20 PolarHBondContact O-N 2.87Å |
| 17 | L | 61.3 | Low | 54 | Low | 82 Ų | 82 | 111 Ų | 111 | 43% | 0.429 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.8 | -52.3 | 171.8 | -133.3 | 77.5 | 0 | 0 | 0 | 110.6 | F13 W14 M19 K20 E21 | F13-L17 HydrophobicContact CE1-CD1 4.16Å; F13-L17 PolarHBondContact O-N 3.46Å; W14-L17 PolarHBondContact O-N 2.92Å; L17-M19 PolarHBondContact O-N 3.44Å; L17-K20 CarbonylContact O-C 3.56Å; L17-K20 WeakPolarHBondContact O-CA 3.14Å; L17-K20 WeakPolarHBondContact O-CB 3.34Å; L17-K20 PolarHBondContact O-N 3.38Å; L17-E21 PolarHBondContact O-N 3.33Å |
| 18 | L | 57.1 | Low | 53.1 | Low | 87 Ų | 87 | 117.6 Ų | 117.6 | 46% | 0.455 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59.8 | -40.5 | 175.6 | -85.9 | 159.8 | 0 | 0 | 0 | 112.4 | W14 K20 E21 V22 | W14-L18 HydrophobicContact CE3-CD1 4.25Å; W14-L18 WeakPolarHBondContact O-CB 3.4Å; W14-L18 PolarHBondContact O-N 2.93Å; L18-K20 VanDerWaalsContact C-N 3.34Å; L18-E21 PolarHBondContact O-N 3.5Å; L18-V22 VanDerWaalsContact O-CB 3.26Å; L18-V22 WeakPolarHBondContact O-CB 3.44Å; L18-V22 WeakPolarHBondContact O-CG2 3.38Å; L18-V22 PolarHBondContact O-N 2.96Å |
| 19 | M | 53.9 | Low | 52.3 | Low | 131 Ų | 131 | 115 Ų | 115 | 65% | 0.645 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.7 | -30.9 | 173.3 | -80.1 | -170.8 | 171.6 | 0 | 0 | 112.5 | T15 L17 L23 | T15-M19 WeakPolarHBondContact O-CB 3.25Å; T15-M19 VanDerWaalsContact O-CG 3.31Å; T15-M19 WeakPolarHBondContact O-CG 3.44Å; T15-M19 PolarHBondContact O-N 3.29Å; L17-M19 PolarHBondContact O-N 3.44Å; M19-L23 WeakPolarHBondContact O-CB 3.36Å; M19-L23 WeakPolarHBondContact O-CD1 3.25Å; M19-L23 WeakPolarHBondContact O-CG 3.38Å; M19-L23 PolarHBondContact O-N 3.37Å |
| 20 | K | 45.1 | Very low | 51.3 | Low | 136 Ų | 136 | 109.6 Ų | 109.6 | 59% | 0.591 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.9 | -45.7 | 170.5 | -85.8 | -170.7 | 169.8 | -167.7 | 0 | 111.7 | I16 L17 L18 L23 L24 | I16-K20 WeakPolarHBondContact O-CB 3.26Å; I16-K20 WeakPolarHBondContact O-CG 3.1Å; I16-K20 PolarHBondContact O-N 2.87Å; L17-K20 CarbonylContact O-C 3.56Å; L17-K20 WeakPolarHBondContact O-CA 3.14Å; L17-K20 WeakPolarHBondContact O-CB 3.34Å; L17-K20 PolarHBondContact O-N 3.38Å; L18-K20 VanDerWaalsContact C-N 3.34Å; K20-L23 PolarHBondContact O-N 3.3Å; K20-L24 VanDerWaalsContact O-CB 3.27Å; K20-L24 WeakPolarHBondContact O-CB 3.44Å; K20-L24 WeakPolarHBondContact O-CD1 3.46Å; K20-L24 WeakPolarHBondContact O-CG 3.39Å; K20-L24 PolarHBondContact O-N 3.12Å |
| 21 | E | 43.6 | Very low | 49.8 | Very low | 119 Ų | 119 | 113.6 Ų | 113.6 | 56% | 0.556 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.8 | -39 | 177.8 | -71.1 | 175.3 | 123 | 0 | 0 | 111.5 | L17 L18 L24 S25 | L17-E21 PolarHBondContact O-N 3.33Å; L18-E21 PolarHBondContact O-N 3.5Å; E21-L24 PolarHBondContact O-N 2.98Å; E21-S25 VanDerWaalsContact O-CB 3.32Å; E21-S25 WeakPolarHBondContact O-CB 3.5Å; E21-S25 PolarHBondContact O-N 3.42Å; E21-S25 PolarHBondContact O-OG 3.05Å |
| 22 | V | 42.9 | Very low | 48.9 | Very low | 83 Ų | 83 | 108.9 Ų | 108.9 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70.3 | -38.3 | 175.1 | 170.8 | 0 | 0 | 0 | 0 | 112.4 | L18 L24 S25 | L18-V22 VanDerWaalsContact O-CB 3.26Å; L18-V22 WeakPolarHBondContact O-CB 3.44Å; L18-V22 WeakPolarHBondContact O-CG2 3.38Å; L18-V22 PolarHBondContact O-N 2.96Å; V22-L24 VanDerWaalsContact C-N 3.32Å; V22-S25 WeakPolarHBondContact CA-OG 3.2Å; V22-S25 PolarHBondContact O-N 3.26Å; V22-S25 PolarHBondContact O-OG 3.38Å |
| 23 | L | 40.4 | Very low | 47.4 | Very low | 137 Ų | 137 | 109.7 Ų | 109.7 | 72% | 0.717 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -74.2 | -21.3 | 174.1 | -72.5 | 166.9 | 0 | 0 | 0 | 113.2 | M19 K20 | M19-L23 WeakPolarHBondContact O-CB 3.36Å; M19-L23 WeakPolarHBondContact O-CD1 3.25Å; M19-L23 WeakPolarHBondContact O-CG 3.38Å; M19-L23 PolarHBondContact O-N 3.37Å; K20-L23 PolarHBondContact O-N 3.3Å |
| 24 | L | 40.5 | Very low | 46.2 | Very low | 123 Ų | 123 | 104.2 Ų | 104.2 | 64% | 0.644 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -85.9 | -23.8 | 171 | -82.1 | 155.9 | 0 | 0 | 0 | 112.5 | K20 E21 V22 T27 | K20-L24 VanDerWaalsContact O-CB 3.27Å; K20-L24 WeakPolarHBondContact O-CB 3.44Å; K20-L24 WeakPolarHBondContact O-CD1 3.46Å; K20-L24 WeakPolarHBondContact O-CG 3.39Å; K20-L24 PolarHBondContact O-N 3.12Å; E21-L24 PolarHBondContact O-N 2.98Å; V22-L24 VanDerWaalsContact C-N 3.32Å; L24-T27 PolarHBondContact O-OG1 3.22Å; L24-T27 VanDerWaalsContact O-OG1 3.09Å |
| 25 | S | 36.7 | Very low | 45.3 | Very low | 83 Ų | 83 | 103.7 Ų | 103.7 | 58% | 0.58 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -78 | -15.2 | 179.5 | 65.2 | 0 | 0 | 0 | 0 | 115.2 | E21 V22 | E21-S25 VanDerWaalsContact O-CB 3.32Å; E21-S25 WeakPolarHBondContact O-CB 3.5Å; E21-S25 PolarHBondContact O-N 3.42Å; E21-S25 PolarHBondContact O-OG 3.05Å; V22-S25 WeakPolarHBondContact CA-OG 3.2Å; V22-S25 PolarHBondContact O-N 3.26Å; V22-S25 PolarHBondContact O-OG 3.38Å |
| 26 | D | 33.9 | Very low | 44.7 | Very low | 142 Ų | 142 | 106.7 Ų | 106.7 | 76% | 0.759 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 7.5 | 178.9 | -102.3 | -25 | 0 | 0 | 0 | 113.5 | K28 | D26-K28 PolarHBondContact O-N 3.38Š|
| 27 | T | 36.8 | Very low | 44.8 | Very low | 87 Ų | 87 | 106 Ų | 106 | 53% | 0.534 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -68.3 | 122.1 | 163.4 | 55.7 | 0 | 0 | 0 | 0 | 108.5 | L24 V29 | L24-T27 PolarHBondContact O-OG1 3.22Å; L24-T27 VanDerWaalsContact O-OG1 3.09Å; T27-V29 PolarHBondContact O-N 2.91Å |
| 28 | K | 42.1 | Very low | 45.5 | Very low | 208 Ų | 208 | 106.2 Ų | 106.2 | 90% | 0.904 | 55% | 0.554 | S | S | * | * | trans | -81 | 55.7 | -160.1 | -159.4 | 179.8 | -174.1 | 179.1 | 0 | 113.1 | D26 | D26-K28 PolarHBondContact O-N 3.38Š| ||
| 29 | V | 40.9 | Very low | 46.7 | Very low | 56 Ų | 56 | 102.5 Ų | 102.5 | 34% | 0.339 | 54% | 0.535 | S | S | . | . | trans | -54.5 | 124.6 | 178.3 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | T27 M31 R48 | T27-V29 PolarHBondContact O-N 2.91Å; V29-M31 PolarHBondContact O-N 3.03Å; V29-R48 HydrophobicContact CG1-CB 4.33Å | ||
| 30 | P | 40.7 | Very low | 48 | Very low | 50 Ų | 50 | 103.2 Ų | 103.2 | 33% | 0.325 | 53% | 0.53 | S | S | . | . | trans | -72.7 | 91.9 | -179.2 | 28.9 | -34.3 | 0 | 0 | 0 | 110.5 | V32 | P30-V32 PolarHBondContact O-N 3.48Š| ||
| 31 | M | 33.9 | Very low | 49.8 | Very low | 168 Ų | 168 | 97.8 Ų | 97.8 | 83% | 0.828 | 51% | 0.507 | S | S | * | . | trans | -65.1 | 104.3 | 165.7 | -76.4 | -156.7 | -66.2 | 0 | 0 | 109.5 | V29 V33 | V29-M31 PolarHBondContact O-N 3.03Å; M31-V33 PolarHBondContact O-N 3.33Å | ||
| 32 | V | 43 | Very low | 51.7 | Low | 49 Ų | 49 | 97.2 Ų | 97.2 | 30% | 0.297 | 51% | 0.505 | S | S | . | . | trans | -75.1 | 88.9 | -178.5 | -173 | 0 | 0 | 0 | 0 | 110.1 | P30 I39 F141 | P30-V32 PolarHBondContact O-N 3.48Å; V32-I39 HydrophobicContact CG2-CD1 3.79Å; V32-I39 HydrophobicContact CG2-CG1 4.32Å; V32-F141 HydrophobicContact CB-CE1 4.3Å; V32-F141 HydrophobicContact CG1-CD1 4.22Å; V32-F141 HydrophobicContact CG1-CE1 3.98Å | ||
| 33 | V | 38.7 | Very low | 53.6 | Low | 97 Ų | 97 | 96 Ų | 96 | 59% | 0.588 | 50% | 0.497 | S | S | * | . | trans | -70.7 | 148.1 | 161.7 | -166.4 | 0 | 0 | 0 | 0 | 108.4 | M31 H35 | M31-V33 PolarHBondContact O-N 3.33Å; V33-H35 WeakPolarHBondContact CG1-NE2 3.49Å; V33-H35 PolarHBondContact O-N 2.98Å | ||
| 34 | N | 43.3 | Very low | 55.4 | Low | 32 Ų | 32 | 91.6 Ų | 91.6 | 17% | 0.171 | 49% | 0.485 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 53.2 | -160.3 | -146.5 | -41.3 | 0 | 0 | 0 | 114.5 | S64 S65 | N34-S64 WeakPolarHBondContact CB-O 3.33Å; N34-S64 PolarHBondContact ND2-O 3.01Å; N34-S64 PolarHBondContact ND2-OG 3.14Å; N34-S65 PolarHBondContact ND2-N 3.42Å; N34-S65 WeakPolarHBondContact OD1-CB 3.44Å |
| 35 | H | 44.1 | Very low | 57.4 | Low | 156 Ų | 156 | 88.9 Ų | 88.9 | 72% | 0.722 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.3 | -17.7 | -172.2 | -48.4 | -31.4 | 0 | 0 | 0 | 113 | V33 | V33-H35 WeakPolarHBondContact CG1-NE2 3.49Å; V33-H35 PolarHBondContact O-N 2.98Å |
| 36 | N | 52.4 | Low | 59.7 | Low | 121 Ų | 121 | 88.4 Ų | 88.4 | 65% | 0.647 | 46% | 0.462 | S | S | * | . | trans | -138.1 | 107 | 174.7 | -90.6 | -27.4 | 0 | 0 | 0 | 109.2 | Q38 | N36-Q38 VanDerWaalsContact C-N 3.25Š| ||
| 37 | N | 68.9 | Low | 62.3 | Low | 79 Ų | 79 | 81.7 Ų | 81.7 | 42% | 0.422 | 43% | 0.426 | S | S | . | . | trans | -78.7 | -12.9 | 172.1 | -66.9 | 6.6 | 0 | 0 | 0 | 112.2 | F141 E142 | N37-F141 WeakPolarHBondContact O-CA 3.39Å; N37-E142 PolarHBondContact O-N 2.81Å | ||
| 38 | Q | 75.8 | Confident | 64.7 | Low | 86 Ų | 86 | 81.5 Ų | 81.5 | 40% | 0.402 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 130.8 | 176.7 | -65.4 | -164.7 | -28.2 | 0 | 0 | 111.6 | N36 E142 | N36-Q38 VanDerWaalsContact C-N 3.25Å; Q38-E142 WeakPolarHBondContact CA-O 3.47Å; Q38-E142 HydrophobicContact CG-CB 4.23Å; Q38-E142 WeakPolarHBondContact CG-OE2 3.17Å; Q38-E142 PolarHBondContact NE2-OE1 2.92Å; Q38-E142 VanDerWaalsContact NE2-OE1 3.11Å; Q38-E142 PolarHBondContact NE2-OE2 3.21Å |
| 39 | I | 83 | Confident | 66.9 | Low | 10 Ų | 10 | 71.7 Ų | 71.7 | 5% | 0.051 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 123 | -178.4 | -57 | 173.9 | 0 | 0 | 0 | 107.5 | V32 L41 L49 F141 E142 V143 H144 | V32-I39 HydrophobicContact CG2-CD1 3.79Å; V32-I39 HydrophobicContact CG2-CG1 4.32Å; I39-L41 HydrophobicContact CG2-CD1 4.29Å; I39-L41 HydrophobicContact CG2-CG 4.13Å; I39-L49 HydrophobicContact CD1-CD2 3.38Å; I39-F141 HydrophobicContact CD1-CB 4.05Å; I39-F141 HydrophobicContact CD1-CD1 4.15Å; I39-F141 HydrophobicContact CD1-CG 4.37Å; I39-E142 PolarHBondContact N-O 2.98Å; I39-V143 HydrophobicContact CB-CG2 4.41Å; I39-V143 HydrophobicContact CD1-CG2 4.4Å; I39-V143 CarbonylContact O-C 3.55Å; I39-V143 WeakPolarHBondContact O-CA 2.74Å; I39-H144 PolarHBondContact O-N 2.74Å |
| 40 | R | 80.4 | Confident | 69.2 | Low | 145 Ų | 145 | 73.3 Ų | 73.3 | 55% | 0.547 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 123.3 | -179.1 | -73.8 | 172.6 | 168 | 167.9 | -7 | 109.7 | H144 E195 | R40-H144 WeakPolarHBondContact CA-O 3.42Å; R40-H144 HydrophobicContact CG-CB 4.11Å; R40-E195 IonicContact CZ-OE1 2.63Å; R40-E195 IonicContact NH2-OE1 2.72Å; R40-E195 PolarHBondContact NH2-OE1 3.31Å |
| 41 | L | 84.9 | Confident | 71.4 | Confident | 22 Ų | 22 | 70.9 Ų | 70.9 | 12% | 0.115 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 165.2 | -175.5 | -65.1 | 177 | 0 | 0 | 0 | 111.2 | I39 D45 L47 L118 H144 V145 R146 | I39-L41 HydrophobicContact CG2-CD1 4.29Å; I39-L41 HydrophobicContact CG2-CG 4.13Å; L41-D45 HydrophobicContact CB-CB 4.15Å; L41-D45 HydrophobicContact CD2-CB 4.12Å; L41-L47 HydrophobicContact CD1-CB 3.89Å; L41-L47 HydrophobicContact CD1-CD1 3.83Å; L41-L47 HydrophobicContact CD1-CG 4.35Å; L41-L118 HydrophobicContact CB-CD2 4Å; L41-L118 HydrophobicContact CD1-CD2 3.61Å; L41-L118 HydrophobicContact CG-CD2 4.46Å; L41-H144 PolarHBondContact N-O 2.82Å; L41-V145 WeakPolarHBondContact O-CA 3.37Å; L41-R146 PolarHBondContact O-N 2.98Å |
| 42 | Q | 82.3 | Confident | 73.9 | Confident | 107 Ų | 107 | 63.9 Ų | 63.9 | 50% | 0.5 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 160.1 | 173.9 | -57.1 | -170.7 | 18.3 | 0 | 0 | 111.5 | G44 D45 R146 | Q42-G44 PolarHBondContact O-N 3.43Å; Q42-D45 PolarHBondContact N-OD2 3.45Å; Q42-D45 WeakPolarHBondContact O-CB 3.21Å; Q42-D45 PolarHBondContact O-N 3.48Å; Q42-R146 CarbonylContact C-O 3.08Å; Q42-R146 VanDerWaalsContact CA-O 3.23Å; Q42-R146 WeakPolarHBondContact CA-O 3.34Å |
| 43 | V | 82.2 | Confident | 75.9 | Confident | 57 Ų | 57 | 61.6 Ų | 61.6 | 35% | 0.345 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 122.7 | 172.3 | 166.2 | 0 | 0 | 0 | 0 | 109.4 | L118 V120 V145 R146 D147 | V43-L118 WeakPolarHBondContact CA-O 3.44Å; V43-V120 HydrophobicContact CG2-CG2 3.69Å; V43-V145 HydrophobicContact CG2-CG1 4.17Å; V43-R146 PolarHBondContact N-O 2.92Å; V43-D147 HydrophobicContact CB-CB 4.48Å; V43-D147 HydrophobicContact CG2-CB 3.87Å |
| 44 | G | 79.2 | Confident | 77.8 | Confident | 45 Ų | 45 | 60.8 Ų | 60.8 | 46% | 0.464 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | -3.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q42 L118 | Q42-G44 PolarHBondContact O-N 3.43Å; G44-L118 PolarHBondContact N-O 2.99Å; G44-L118 VanDerWaalsContact N-O 3.16Å |
| 45 | D | 83.3 | Confident | 79.3 | Confident | 66 Ų | 66 | 62 Ų | 62 | 35% | 0.353 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 157.1 | 166.8 | -75.9 | -21.4 | 0 | 0 | 0 | 111.3 | L41 Q42 L118 | L41-D45 HydrophobicContact CB-CB 4.15Å; L41-D45 HydrophobicContact CD2-CB 4.12Å; Q42-D45 PolarHBondContact N-OD2 3.45Å; Q42-D45 WeakPolarHBondContact O-CB 3.21Å; Q42-D45 PolarHBondContact O-N 3.48Å; D45-L118 WeakPolarHBondContact O-CB 3.44Å |
| 46 | L | 84.1 | Confident | 80.7 | Confident | 74 Ų | 74 | 56.4 Ų | 56.4 | 39% | 0.387 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -89.2 | 123.4 | 174.2 | 178.5 | 62.8 | 0 | 0 | 0 | 111.6 | E116 | L46-E116 HydrophobicContact CD1-CG 4.22Š|
| 47 | L | 87.6 | Confident | 81.2 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -100.6 | 117.8 | 175.4 | 174.4 | 59.4 | 0 | 0 | 0 | 111.4 | L41 L49 V114 L118 Y126 V143 | L41-L47 HydrophobicContact CD1-CB 3.89Å; L41-L47 HydrophobicContact CD1-CD1 3.83Å; L41-L47 HydrophobicContact CD1-CG 4.35Å; L47-L49 HydrophobicContact CD1-CD1 4.38Å; L47-L49 HydrophobicContact CD1-CD2 3.83Å; L47-L49 HydrophobicContact CD1-CG 3.93Å; L47-V114 HydrophobicContact CB-CB 4.22Å; L47-V114 HydrophobicContact CB-CG2 4.36Å; L47-V114 HydrophobicContact CD2-CB 4.25Å; L47-V114 HydrophobicContact CD2-CG2 3.71Å; L47-V114 HydrophobicContact CG-CB 4.4Å; L47-V114 HydrophobicContact CG-CG2 3.99Å; L47-V114 PolarHBondContact O-N 3Å; L47-L118 HydrophobicContact CB-CD1 3.82Å; L47-L118 HydrophobicContact CB-CD2 3.93Å; L47-L118 HydrophobicContact CB-CG 4.5Å; L47-L118 HydrophobicContact CD2-CD1 3.82Å; L47-Y126 HydrophobicContact CD2-CE1 4.36Å; L47-V143 HydrophobicContact CD1-CG1 4.27Å; L47-V143 HydrophobicContact CD1-CG2 4.31Å; L47-V143 HydrophobicContact CD2-CG1 3.92Å |
| 48 | R | 88.7 | Confident | 81.1 | Confident | 83 Ų | 83 | 59.2 Ų | 59.2 | 31% | 0.313 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 118.9 | -179 | -179.7 | 170.6 | -162.2 | -102.4 | -4.2 | 110.1 | V29 I111 E113 | V29-R48 HydrophobicContact CG1-CB 4.33Å; R48-I111 HydrophobicContact CG-CG2 4.14Å; R48-E113 HydrophobicContact CB-CG 4.17Å; R48-E113 HydrophobicContact CG-CG 3.71Å; R48-E113 IonicContact CZ-OE1 3.43Å; R48-E113 IonicContact NE-OE1 2.85Å; R48-E113 PolarHBondContact NE-OE1 3.21Å; R48-E113 IonicContact NH2-OE1 3.23Å; R48-E113 PolarHBondContact NH2-OE1 3.12Å |
| 49 | L | 87.8 | Confident | 80.4 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 120.7 | -175.5 | -59.1 | 178.3 | 0 | 0 | 0 | 110.5 | I39 L47 W87 I111 L112 Y126 F141 V143 | I39-L49 HydrophobicContact CD1-CD2 3.38Å; L47-L49 HydrophobicContact CD1-CD1 4.38Å; L47-L49 HydrophobicContact CD1-CD2 3.83Å; L47-L49 HydrophobicContact CD1-CG 3.93Å; L49-W87 HydrophobicContact CB-CH2 3.68Å; L49-W87 HydrophobicContact CB-CZ3 4.08Å; L49-W87 HydrophobicContact CD1-CZ3 4.13Å; L49-I111 CarbonylContact O-C 3.59Å; L49-I111 WeakPolarHBondContact O-CA 3.42Å; L49-L112 PolarHBondContact N-O 3.17Å; L49-L112 PolarHBondContact O-N 3.08Å; L49-Y126 HydrophobicContact CD1-CD1 3.66Å; L49-Y126 HydrophobicContact CD1-CE1 4.47Å; L49-Y126 HydrophobicContact CD1-CG 3.76Å; L49-F141 HydrophobicContact CB-CE2 4.48Å; L49-F141 HydrophobicContact CD1-CD2 4.08Å; L49-F141 HydrophobicContact CD1-CG 4.48Å; L49-F141 HydrophobicContact CD2-CG 4.35Å; L49-V143 HydrophobicContact CD1-CG2 4.49Å |
| 50 | E | 89.2 | Confident | 79.6 | Confident | 89 Ų | 89 | 57.3 Ų | 57.3 | 42% | 0.416 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 133.3 | 173.2 | 179.3 | 174 | 154.6 | 0 | 0 | 110.2 | P52 R110 I111 | E50-P52 WeakPolarHBondContact O-CD 3.24Å; E50-R110 IonicContact OE1-CZ 3.12Å; E50-R110 IonicContact OE1-NH1 2.7Å; E50-R110 PolarHBondContact OE1-NH1 3.04Å; E50-R110 IonicContact OE1-NH2 2.72Å; E50-R110 PolarHBondContact OE1-NH2 3.37Å; E50-I111 HydrophobicContact CB-CD1 4.47Å; E50-I111 HydrophobicContact CB-CG1 4.07Å; E50-I111 HydrophobicContact CG-CD1 4.33Å; E50-I111 HydrophobicContact CG-CG1 3.97Å |
| 51 | C | 87.8 | Confident | 79.2 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | -75.6 | 122.4 | -179.7 | -166.4 | 0 | 0 | 0 | 0 | 111.8 | I53 Y85 W87 R110 C128 | C51-I53 PolarHBondContact O-N 2.86Å; C51-Y85 HydrophobicContact CB-CD1 4.02Å; C51-Y85 HydrophobicContact CB-CE1 4.19Å; C51-W87 HydrophobicContact CB-CZ2 4.13Å; C51-R110 HydrophobicContact CB-CG 4.25Å; C51-R110 WeakPolarHBondContact CB-O 3.33Å; C51-R110 PolarHBondContact N-O 2.88Å; C51-R110 PolarHBondContact O-NH2 2.87Å; C51-C128 HydrophobicContact CB-CB 3.91Å; C51-C128 WeakPolarHBondContact CB-SG 3.46Å; C51-C128 WeakPolarHBondContact SG-CB 3.35Å; C51-C128 CovalentContact SG-SG 2.03Å; C51-C128 PolarHBondContact SG-SG 2.82Å | ||
| 52 | P | 86.1 | Confident | 78.6 | Confident | 21 Ų | 21 | 51.8 Ų | 51.8 | 14% | 0.136 | 31% | 0.305 | C | S | . | . | trans | -84.9 | 5.2 | -177 | 35.3 | -37.9 | 0 | 0 | 0 | 113.5 | E50 H54 V139 | E50-P52 WeakPolarHBondContact O-CD 3.24Å; P52-H54 PolarHBondContact O-ND1 3.29Å; P52-V139 HydrophobicContact CG-CB 4.4Å; P52-V139 HydrophobicContact CG-CG1 4.01Å; P52-V139 HydrophobicContact CG-CG2 4.24Å | ||
| 53 | I | 83.5 | Confident | 77.9 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 130.9 | 176.9 | -55.5 | 172.8 | 0 | 0 | 0 | 108.5 | C51 L61 V62 Y85 R137 V139 | C51-I53 PolarHBondContact O-N 2.86Å; I53-L61 HydrophobicContact CG2-CB 4.46Å; I53-L61 HydrophobicContact CG2-CD2 3.79Å; I53-V62 WeakPolarHBondContact CA-O 3.44Å; I53-Y85 PolarHBondContact O-OH 3.17Å; I53-R137 HydrophobicContact CD1-CB 4.39Å; I53-R137 VanDerWaalsContact CD1-O 3.3Å; I53-R137 WeakPolarHBondContact CD1-O 3.37Å; I53-R137 HydrophobicContact CG2-CB 4.39Å; I53-V139 HydrophobicContact CD1-CB 4.48Å; I53-V139 HydrophobicContact CD1-CG2 4.03Å; I53-V139 HydrophobicContact CG1-CG2 3.82Å |
| 54 | H | 79.7 | Confident | 76.8 | Confident | 80 Ų | 80 | 47.2 Ų | 47.2 | 37% | 0.37 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 167.5 | 176.4 | 57.9 | -78.5 | 0 | 0 | 0 | 109.9 | P52 V62 | P52-H54 PolarHBondContact O-ND1 3.29Å; H54-V62 PolarHBondContact CE1-O 3.45Å; H54-V62 PolarHBondContact N-O 2.99Å; H54-V62 PolarHBondContact ND1-O 3.4Å; H54-V62 VanDerWaalsContact ND1-O 3.17Å; H54-V62 PolarHBondContact O-N 2.74Å |
| 55 | I | 75.1 | Confident | 75.3 | Confident | 57 Ų | 57 | 47.7 Ų | 47.7 | 29% | 0.292 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 137.8 | 175.6 | -162.2 | 170 | 0 | 0 | 0 | 110 | G60 T81 V83 T132 | I55-G60 CarbonylContact C-O 3.59Å; I55-G60 WeakPolarHBondContact CA-O 3.47Å; I55-T81 HydrophobicContact CG2-CG2 3.75Å; I55-V83 HydrophobicContact CB-CG2 3.89Å; I55-V83 HydrophobicContact CD1-CG2 4.49Å; I55-V83 HydrophobicContact CG2-CG2 4.39Å; I55-T132 HydrophobicContact CD1-CG2 4.24Å |
| 56 | T | 71.8 | Confident | 73.2 | Confident | 39 Ų | 39 | 49.8 Ų | 49.8 | 24% | 0.239 | 30% | 0.295 | C | S | . | . | trans | -80.1 | 164.5 | 171.5 | 58 | 0 | 0 | 0 | 0 | 111.2 | T58 G59 G60 V62 | T56-T58 PolarHBondContact O-N 2.92Å; T56-T58 VanDerWaalsContact O-N 3.11Å; T56-T58 PolarHBondContact OG1-N 2.97Å; T56-T58 PolarHBondContact OG1-OG1 3.25Å; T56-G59 PolarHBondContact O-N 3.3Å; T56-G60 PolarHBondContact N-O 3.16Å; T56-G60 PolarHBondContact OG1-N 2.87Å; T56-G60 PolarHBondContact OG1-O 2.78Å; T56-V62 HydrophobicContact CG2-CB 3.97Å; T56-V62 HydrophobicContact CG2-CG2 3.38Å | ||
| 57 | S | 64 | Low | 70.8 | Confident | 134 Ų | 134 | 51.7 Ų | 51.7 | 94% | 0.937 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -20.3 | 167.4 | 51.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 58 | T | 66 | Low | 68.4 | Low | 125 Ų | 125 | 59.7 Ų | 59.7 | 77% | 0.767 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 6 | 174.3 | 52.8 | 0 | 0 | 0 | 0 | 114 | T56 G60 | T56-T58 PolarHBondContact O-N 2.92Å; T56-T58 VanDerWaalsContact O-N 3.11Å; T56-T58 PolarHBondContact OG1-N 2.97Å; T56-T58 PolarHBondContact OG1-OG1 3.25Å; T58-G60 PolarHBondContact O-N 3.26Å |
| 59 | G | 62.8 | Low | 65.8 | Low | 26 Ų | 26 | 62.1 Ų | 62.1 | 27% | 0.268 | 37% | 0.368 | S | S | . | . | S | Bend | trans | 76.8 | 0.6 | 180 | 0 | 0 | 0 | 0 | 0 | 115.1 | T56 | T56-G59 PolarHBondContact O-N 3.3Š|
| 60 | G | 64.9 | Low | 63.1 | Low | 31 Ų | 31 | 67.2 Ų | 67.2 | 32% | 0.32 | 41% | 0.41 | S | S | . | . | trans | -77.5 | 148.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I55 T56 T58 | I55-G60 CarbonylContact C-O 3.59Å; I55-G60 WeakPolarHBondContact CA-O 3.47Å; T56-G60 PolarHBondContact N-O 3.16Å; T56-G60 PolarHBondContact OG1-N 2.87Å; T56-G60 PolarHBondContact OG1-O 2.78Å; T58-G60 PolarHBondContact O-N 3.26Å | ||
| 61 | L | 72.1 | Confident | 60.3 | Low | 22 Ų | 22 | 68 Ų | 68 | 12% | 0.115 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 121.4 | 171.5 | -76.9 | 167.5 | 0 | 0 | 0 | 110.3 | I53 V83 G130 T132 G135 R137 | I53-L61 HydrophobicContact CG2-CB 4.46Å; I53-L61 HydrophobicContact CG2-CD2 3.79Å; L61-V83 HydrophobicContact CD2-CG1 3.94Å; L61-V83 HydrophobicContact CD2-CG2 3.94Å; L61-G130 WeakPolarHBondContact CD1-O 3.36Å; L61-T132 HydrophobicContact CD1-CG2 4.08Å; L61-T132 HydrophobicContact CD2-CG2 3.87Å; L61-T132 HydrophobicContact CG-CG2 3.94Å; L61-G135 WeakPolarHBondContact CD1-O 3.36Å; L61-R137 HydrophobicContact CB-CB 3.92Å; L61-R137 HydrophobicContact CD1-CB 4.32Å; L61-R137 WeakPolarHBondContact O-CD 3.48Å; L61-R137 PolarHBondContact O-NH1 3.49Å |
| 62 | V | 73.1 | Confident | 57.7 | Low | 28 Ų | 28 | 73.1 Ų | 73.1 | 17% | 0.17 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 130 | 177.6 | 170.8 | 0 | 0 | 0 | 0 | 110.2 | I53 H54 T56 | I53-V62 WeakPolarHBondContact CA-O 3.44Å; H54-V62 PolarHBondContact CE1-O 3.45Å; H54-V62 PolarHBondContact N-O 2.99Å; H54-V62 PolarHBondContact ND1-O 3.4Å; H54-V62 VanDerWaalsContact ND1-O 3.17Å; H54-V62 PolarHBondContact O-N 2.74Å; T56-V62 HydrophobicContact CG2-CB 3.97Å; T56-V62 HydrophobicContact CG2-CG2 3.38Å |
| 63 | S | 66.1 | Low | 55 | Low | 9 Ų | 9 | 81.8 Ų | 81.8 | 6% | 0.063 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 141.1 | 158.5 | 53.8 | 0 | 0 | 0 | 0 | 107.3 | S65 R137 | S63-S65 PolarHBondContact O-N 3.03Å; S63-S65 PolarHBondContact O-OG 3.11Å; S63-S65 PolarHBondContact OG-OG 2.86Å; S63-R137 VanDerWaalsContact N-NE 3.16Å; S63-R137 VanDerWaalsContact OG-CZ 3.32Å; S63-R137 PolarHBondContact OG-NE 3.07Å; S63-R137 PolarHBondContact OG-NH2 2.69Å |
| 64 | S | 59.5 | Low | 52.4 | Low | 59 Ų | 59 | 87.9 Ų | 87.9 | 41% | 0.413 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 35.5 | -178 | 55 | 0 | 0 | 0 | 0 | 115.4 | N34 | N34-S64 WeakPolarHBondContact CB-O 3.33Å; N34-S64 PolarHBondContact ND2-O 3.01Å; N34-S64 PolarHBondContact ND2-OG 3.14Å |
| 65 | S | 47.1 | Very low | 50.2 | Low | 56 Ų | 56 | 93 Ų | 93 | 39% | 0.392 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.1 | -6.2 | -169 | 50.3 | 0 | 0 | 0 | 0 | 114.2 | N34 S63 | N34-S65 PolarHBondContact ND2-N 3.42Å; N34-S65 WeakPolarHBondContact OD1-CB 3.44Å; S63-S65 PolarHBondContact O-N 3.03Å; S63-S65 PolarHBondContact O-OG 3.11Å; S63-S65 PolarHBondContact OG-OG 2.86Å |
| 66 | N | 40 | Very low | 48.1 | Very low | 110 Ų | 110 | 99 Ų | 99 | 59% | 0.588 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -121.8 | -18.1 | -162.4 | -75.9 | 56.7 | 0 | 0 | 0 | 115.2 | ||
| 67 | D | 34.9 | Very low | 46.5 | Very low | 113 Ų | 113 | 101.2 Ų | 101.2 | 60% | 0.604 | 60% | 0.6 | S | S | * | * | trans | -103.8 | 115.4 | -163.6 | -54.7 | -51.5 | 0 | 0 | 0 | 112.3 | D69 | D67-D69 PolarHBondContact O-N 2.87Š| ||
| 68 | N | 37.3 | Very low | 45.3 | Very low | 170 Ų | 170 | 103.2 Ų | 103.2 | 91% | 0.909 | 59% | 0.594 | S | S | * | * | trans | -78.9 | 1.3 | 168.7 | -78.5 | -63.2 | 0 | 0 | 0 | 112.7 | A70 | N68-A70 PolarHBondContact O-N 2.87Š| ||
| 69 | D | 32.8 | Very low | 44.3 | Very low | 134 Ų | 134 | 104.6 Ų | 104.6 | 72% | 0.717 | 59% | 0.587 | S | S | * | * | trans | -75.9 | 107 | -177.9 | -92.3 | -39.1 | 0 | 0 | 0 | 111.9 | D67 S71 | D67-D69 PolarHBondContact O-N 2.87Å; D69-S71 PolarHBondContact O-N 2.81Å | ||
| 70 | A | 30.4 | Very low | 43.6 | Very low | 108 Ų | 108 | 110.4 Ų | 110.4 | 89% | 0.893 | 61% | 0.612 | S | S | * | * | trans | -73.5 | 42.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N68 | N68-A70 PolarHBondContact O-N 2.87Š| ||
| 71 | S | 30.6 | Very low | 43.4 | Very low | 105 Ų | 105 | 111.7 Ų | 111.7 | 73% | 0.734 | 61% | 0.613 | S | S | * | * | trans | -134.8 | 36.8 | -165.1 | -169.7 | 0 | 0 | 0 | 0 | 114.8 | D69 | D69-S71 PolarHBondContact O-N 2.81Š| ||
| 72 | S | 34.3 | Very low | 43.4 | Very low | 109 Ų | 109 | 113.6 Ų | 113.6 | 76% | 0.762 | 64% | 0.638 | S | S | * | * | trans | -127.5 | 12.4 | 175.3 | 60.4 | 0 | 0 | 0 | 0 | 115 | T74 | S72-T74 VanDerWaalsContact C-N 3.27Å; S72-T74 PolarHBondContact O-N 3.31Å | ||
| 73 | K | 29 | Very low | 43.6 | Very low | 203 Ų | 203 | 112.7 Ų | 112.7 | 88% | 0.883 | 63% | 0.633 | S | S | * | * | trans | -78.3 | 62.1 | 175.7 | -71.8 | -172.4 | 176.8 | 179.2 | 0 | 113.7 | ||||
| 74 | T | 30 | Very low | 44.6 | Very low | 127 Ų | 127 | 117.5 Ų | 117.5 | 78% | 0.779 | 66% | 0.657 | S | S | * | * | trans | 169.6 | 86.3 | 148.8 | 41.1 | 0 | 0 | 0 | 0 | 110.7 | S72 | S72-T74 VanDerWaalsContact C-N 3.27Å; S72-T74 PolarHBondContact O-N 3.31Å | ||
| 75 | H | 33 | Very low | 46 | Very low | 188 Ų | 188 | 115.2 Ų | 115.2 | 87% | 0.87 | 64% | 0.639 | S | S | * | * | trans | -147.6 | 133 | 150.8 | -94.6 | -78.5 | 0 | 0 | 0 | 108.6 | ||||
| 76 | Q | 30 | Very low | 48.1 | Very low | 182 Ų | 182 | 114.7 Ų | 114.7 | 85% | 0.85 | 63% | 0.632 | S | S | * | * | trans | -71 | 139.3 | 168.1 | -67.8 | 167.7 | -86 | 0 | 0 | 108.1 | E78 | Q76-E78 PolarHBondContact O-N 3.26Š| ||
| 77 | P | 38.9 | Very low | 50.5 | Low | 87 Ų | 87 | 109.6 Ų | 109.6 | 57% | 0.565 | 60% | 0.604 | S | S | * | * | trans | -67 | 110.5 | 176.3 | 27.6 | -33 | 0 | 0 | 0 | 108.9 | Y79 | P77-Y79 WeakPolarHBondContact O-CD2 3.41Å; P77-Y79 PolarHBondContact O-N 3.37Å | ||
| 78 | E | 37.9 | Very low | 53.2 | Low | 176 Ų | 176 | 108 Ų | 108 | 82% | 0.822 | 59% | 0.592 | S | S | * | * | trans | -73.4 | 117 | 179.9 | -163.7 | 162.6 | -138.7 | 0 | 0 | 109.1 | Q76 N80 | Q76-E78 PolarHBondContact O-N 3.26Å; E78-N80 PolarHBondContact O-N 3.49Å | ||
| 79 | Y | 45.6 | Very low | 55.7 | Low | 153 Ų | 153 | 99.9 Ų | 99.9 | 60% | 0.6 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -75.4 | 54.2 | -163.4 | -78.9 | -92 | 0 | 0 | 0 | 114.3 | P77 | P77-Y79 WeakPolarHBondContact O-CD2 3.41Å; P77-Y79 PolarHBondContact O-N 3.37Å |
| 80 | N | 49.1 | Very low | 58.3 | Low | 149 Ų | 149 | 97.1 Ų | 97.1 | 80% | 0.797 | 53% | 0.528 | S | S | * | . | trans | -151 | 31.9 | 169.3 | -149.4 | 17.6 | 0 | 0 | 0 | 114 | E78 G82 | E78-N80 PolarHBondContact O-N 3.49Å; N80-G82 PolarHBondContact O-N 2.94Å | ||
| 81 | T | 59.1 | Low | 60.8 | Low | 57 Ų | 57 | 98.4 Ų | 98.4 | 35% | 0.35 | 52% | 0.52 | S | S | . | . | trans | -65.5 | 124.5 | 172.1 | 56.4 | 0 | 0 | 0 | 0 | 110.1 | I55 V83 | I55-T81 HydrophobicContact CG2-CG2 3.75Å; T81-V83 PolarHBondContact O-N 3.49Å | ||
| 82 | G | 71.9 | Confident | 63.3 | Low | 62 Ų | 62 | 96.2 Ų | 96.2 | 64% | 0.639 | 50% | 0.5 | S | S | * | . | trans | -71.2 | 41.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | N80 | N80-G82 PolarHBondContact O-N 2.94Š| ||
| 83 | V | 78.2 | Confident | 65.4 | Low | 9 Ų | 9 | 95.1 Ų | 95.1 | 6% | 0.055 | 48% | 0.483 | C | S | . | . | trans | -105.2 | 120.3 | 178 | -177.2 | 0 | 0 | 0 | 0 | 108 | I55 L61 T81 Y85 I131 T132 | I55-V83 HydrophobicContact CB-CG2 3.89Å; I55-V83 HydrophobicContact CD1-CG2 4.49Å; I55-V83 HydrophobicContact CG2-CG2 4.39Å; L61-V83 HydrophobicContact CD2-CG1 3.94Å; L61-V83 HydrophobicContact CD2-CG2 3.94Å; T81-V83 PolarHBondContact O-N 3.49Å; V83-Y85 HydrophobicContact CB-CE2 4.37Å; V83-Y85 HydrophobicContact CG1-CD1 4.43Å; V83-Y85 HydrophobicContact CG1-CE1 3.94Å; V83-Y85 HydrophobicContact CG1-CE2 4.27Å; V83-I131 CarbonylContact C-O 3.57Å; V83-I131 WeakPolarHBondContact CA-O 3.37Å; V83-T132 HydrophobicContact CB-CG2 4.48Å; V83-T132 HydrophobicContact CG2-CG2 3.86Å | ||
| 84 | I | 86.8 | Confident | 67.7 | Low | 111 Ų | 111 | 86.9 Ų | 86.9 | 57% | 0.569 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 129.7 | 173.5 | -54 | 175.3 | 0 | 0 | 0 | 107.9 | N86 I131 | I84-N86 WeakPolarHBondContact CG2-OD1 3.29Å; I84-I131 HydrophobicContact CB-CB 4.42Å; I84-I131 PolarHBondContact N-O 3.36Å; I84-I131 PolarHBondContact O-N 3.45Å |
| 85 | Y | 89.5 | Confident | 70.1 | Confident | 11 Ų | 11 | 88.7 Ų | 88.7 | 4% | 0.043 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 121.7 | 176.7 | -58.9 | -82.3 | 0 | 0 | 0 | 110.8 | C51 I53 V83 R109 R110 S129 | C51-Y85 HydrophobicContact CB-CD1 4.02Å; C51-Y85 HydrophobicContact CB-CE1 4.19Å; I53-Y85 PolarHBondContact O-OH 3.17Å; V83-Y85 HydrophobicContact CB-CE2 4.37Å; V83-Y85 HydrophobicContact CG1-CD1 4.43Å; V83-Y85 HydrophobicContact CG1-CE1 3.94Å; V83-Y85 HydrophobicContact CG1-CE2 4.27Å; Y85-R109 WeakPolarHBondContact CB-O 3.42Å; Y85-R109 PolarHBondContact O-NH1 2.78Å; Y85-R110 HydrophobicContact CD1-CB 4.46Å; Y85-R110 HydrophobicContact CD1-CG 4.29Å; Y85-R110 HydrophobicContact CD2-CB 3.77Å; Y85-R110 HydrophobicContact CD2-CG 4.25Å; Y85-R110 HydrophobicContact CE1-CB 4.48Å; Y85-R110 HydrophobicContact CE1-CG 3.95Å; Y85-R110 HydrophobicContact CE2-CB 3.82Å; Y85-R110 HydrophobicContact CE2-CG 3.93Å; Y85-R110 HydrophobicContact CG-CB 4.12Å; Y85-R110 HydrophobicContact CG-CG 4.44Å; Y85-S129 WeakPolarHBondContact CA-O 3.36Å |
| 86 | N | 90.5 | Very high | 72.4 | Confident | 45 Ų | 45 | 81.1 Ų | 81.1 | 24% | 0.241 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 145.1 | 174.5 | -65.2 | 54.9 | 0 | 0 | 0 | 109.3 | I84 D94 S129 I131 | I84-N86 WeakPolarHBondContact CG2-OD1 3.29Å; N86-D94 WeakPolarHBondContact CB-OD2 3.16Å; N86-D94 PolarHBondContact ND2-OD2 3.23Å; N86-S129 PolarHBondContact N-O 3.13Å; N86-S129 PolarHBondContact O-N 2.95Å; N86-I131 HydrophobicContact CB-CD1 4.41Å |
| 87 | W | 91 | Very high | 74.9 | Confident | 3 Ų | 3 | 72.5 Ų | 72.5 | 1% | 0.011 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 152 | 178.9 | -70.5 | 83 | 0 | 0 | 0 | 112 | L49 C51 D94 L97 F105 R109 L112 T127 C128 F141 | L49-W87 HydrophobicContact CB-CH2 3.68Å; L49-W87 HydrophobicContact CB-CZ3 4.08Å; L49-W87 HydrophobicContact CD1-CZ3 4.13Å; C51-W87 HydrophobicContact CB-CZ2 4.13Å; W87-D94 PolarHBondContact N-OD1 3Å; W87-D94 WeakPolarHBondContact O-CA 3.29Å; W87-D94 WeakPolarHBondContact O-CB 3.2Å; W87-D94 PolarHBondContact O-N 3.44Å; W87-L97 HydrophobicContact CB-CD1 3.75Å; W87-L97 WeakPolarHBondContact O-CD1 3.3Å; W87-F105 HydrophobicContact CB-CE1 4.1Å; W87-F105 HydrophobicContact CB-CZ 4.44Å; W87-F105 AromaticContact CD1-CE1 3.49Å; W87-F105 VanDerWaalsContact CD1-CE1 3.49Å; W87-F105 AromaticContact CG-CE1 3.91Å; W87-F105 HydrophobicContact CG-CE1 3.91Å; W87-R109 PolarHBondContact NE1-O 3.17Å; W87-L112 HydrophobicContact CB-CD2 4.43Å; W87-L112 HydrophobicContact CD2-CB 3.92Å; W87-L112 HydrophobicContact CD2-CD2 3.8Å; W87-L112 HydrophobicContact CE3-CB 4.2Å; W87-L112 HydrophobicContact CE3-CD2 3.58Å; W87-L112 HydrophobicContact CG-CB 4.48Å; W87-L112 HydrophobicContact CG-CD2 4.19Å; W87-L112 HydrophobicContact CH2-CB 4.1Å; W87-L112 HydrophobicContact CZ2-CB 3.83Å; W87-L112 HydrophobicContact CZ3-CB 4.28Å; W87-L112 HydrophobicContact CZ3-CD2 4.06Å; W87-T127 CarbonylContact C-O 3.57Å; W87-T127 WeakPolarHBondContact CA-O 3.48Å; W87-C128 HydrophobicContact CD2-CB 4.17Å; W87-C128 HydrophobicContact CE3-CB 4.05Å; W87-C128 HydrophobicContact CH2-CB 3.9Å; W87-C128 HydrophobicContact CZ2-CB 4Å; W87-C128 HydrophobicContact CZ3-CB 3.92Å; W87-F141 HydrophobicContact CH2-CD2 4.46Å; W87-F141 AromaticContact CH2-CE2 3.78Å; W87-F141 HydrophobicContact CH2-CE2 3.78Å; W87-F141 HydrophobicContact CZ3-CD2 4.06Å; W87-F141 AromaticContact CZ3-CE2 3.8Å; W87-F141 HydrophobicContact CZ3-CE2 3.8Å |
| 88 | K | 91 | Very high | 76.9 | Confident | 79 Ų | 79 | 73 Ų | 73 | 34% | 0.343 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 130.2 | 167.7 | -174.2 | -176.5 | 177.5 | -179.7 | 0 | 108.2 | R90 L92 T127 | K88-R90 WeakPolarHBondContact CE-O 3.36Å; K88-L92 WeakPolarHBondContact CA-O 3.4Å; K88-L92 WeakPolarHBondContact CG-O 3.48Å; K88-T127 PolarHBondContact N-O 2.71Å; K88-T127 PolarHBondContact O-N 3.05Å |
| 89 | V | 90.2 | Very high | 78.9 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 111.7 | -178.5 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | D91 L92 L97 Y103 L112 Y126 | V89-D91 PolarHBondContact O-N 3.19Å; V89-L92 PolarHBondContact N-O 2.71Å; V89-L92 WeakPolarHBondContact O-CA 3.32Å; V89-L92 VanDerWaalsContact O-CB 3.27Å; V89-L92 WeakPolarHBondContact O-CB 3.48Å; V89-L92 PolarHBondContact O-N 3.14Å; V89-L97 HydrophobicContact CB-CD2 4.01Å; V89-L97 HydrophobicContact CG2-CD1 3.96Å; V89-L97 HydrophobicContact CG2-CD2 3.89Å; V89-Y103 HydrophobicContact CG1-CE1 4.13Å; V89-Y103 HydrophobicContact CG2-CE1 4.33Å; V89-L112 HydrophobicContact CG2-CD2 4Å; V89-Y126 HydrophobicContact CB-CD1 4.3Å; V89-Y126 HydrophobicContact CB-CE1 4.23Å; V89-Y126 HydrophobicContact CG1-CD1 3.87Å; V89-Y126 HydrophobicContact CG1-CD2 4.34Å; V89-Y126 HydrophobicContact CG1-CE1 3.44Å; V89-Y126 VanDerWaalsContact CG1-CE1 3.44Å; V89-Y126 HydrophobicContact CG1-CE2 3.95Å; V89-Y126 HydrophobicContact CG1-CG 4.29Å; V89-Y126 VanDerWaalsContact CG1-CZ 3.47Å; V89-Y126 HydrophobicContact CG2-CD1 3.6Å; V89-Y126 HydrophobicContact CG2-CE1 3.73Å; V89-Y126 HydrophobicContact CG2-CG 4.38Å |
| 90 | R | 87.7 | Confident | 80.6 | Confident | 75 Ų | 75 | 65.6 Ų | 65.6 | 28% | 0.283 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | -120.1 | -168.2 | -57.8 | 179.3 | -83.4 | -78.9 | 4.2 | 109.6 | K88 Y103 S121 D122 S123 N125 | K88-R90 WeakPolarHBondContact CE-O 3.36Å; R90-Y103 PolarHBondContact NH2-OH 3.45Å; R90-S121 PolarHBondContact NH1-O 3.18Å; R90-S121 PolarHBondContact NH2-O 3.12Å; R90-D122 PolarHBondContact NH1-O 3.19Å; R90-D122 IonicContact NH2-OD1 3.93Å; R90-S123 WeakPolarHBondContact CD-O 3.31Å; R90-S123 PolarHBondContact NH1-O 3.32Å; R90-N125 PolarHBondContact N-O 3.47Å |
| 91 | D | 81.5 | Confident | 82.3 | Confident | 135 Ų | 135 | 65 Ų | 65 | 72% | 0.722 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -4.8 | 175.6 | -55.8 | -64.2 | 0 | 0 | 0 | 113.6 | V89 H93 | V89-D91 PolarHBondContact O-N 3.19Å; D91-H93 PolarHBondContact O-CE1 2.73Å; D91-H93 PolarHBondContact O-N 2.7Å; D91-H93 PolarHBondContact O-ND1 2.99Å |
| 92 | L | 84 | Confident | 83.6 | Confident | 59 Ų | 59 | 64.5 Ų | 64.5 | 31% | 0.309 | 34% | 0.339 | S | S | . | . | B | Isolated β-bridge | trans | -73.1 | 117 | 174.1 | -59.4 | 176.6 | 0 | 0 | 0 | 109.4 | K88 V89 L97 Y103 | K88-L92 WeakPolarHBondContact CA-O 3.4Å; K88-L92 WeakPolarHBondContact CG-O 3.48Å; V89-L92 PolarHBondContact N-O 2.71Å; V89-L92 WeakPolarHBondContact O-CA 3.32Å; V89-L92 VanDerWaalsContact O-CB 3.27Å; V89-L92 WeakPolarHBondContact O-CB 3.48Å; V89-L92 PolarHBondContact O-N 3.14Å; L92-L97 HydrophobicContact CB-CD2 3.86Å; L92-L97 HydrophobicContact CD1-CD2 4.27Å; L92-Y103 HydrophobicContact CD1-CE2 3.95Å |
| 93 | H | 78.9 | Confident | 84.4 | Confident | 87 Ų | 87 | 62 Ų | 62 | 40% | 0.403 | 31% | 0.31 | S | S | . | . | trans | -84 | 161.9 | 174.7 | -66.3 | 69.2 | 0 | 0 | 0 | 110 | D91 Y95 S96 | D91-H93 PolarHBondContact O-CE1 2.73Å; D91-H93 PolarHBondContact O-N 2.7Å; D91-H93 PolarHBondContact O-ND1 2.99Å; H93-Y95 VanDerWaalsContact C-N 3.3Å; H93-Y95 HydrophobicContact CB-CD1 3.98Å; H93-Y95 HydrophobicContact CB-CE1 3.51Å; H93-Y95 PolarHBondContact O-N 2.76Å; H93-Y95 VanDerWaalsContact O-N 3.09Å; H93-S96 WeakPolarHBondContact O-CA 3.36Å; H93-S96 VanDerWaalsContact O-CB 3.27Å; H93-S96 WeakPolarHBondContact O-CB 3.47Å; H93-S96 PolarHBondContact O-N 3.05Å | ||
| 94 | D | 77.4 | Confident | 84.8 | Confident | 30 Ų | 30 | 66.3 Ų | 66.3 | 16% | 0.16 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -47.2 | -44.5 | -169.2 | -154.5 | 35.2 | 0 | 0 | 0 | 114.6 | N86 W87 S96 L97 D98 R109 | N86-D94 WeakPolarHBondContact CB-OD2 3.16Å; N86-D94 PolarHBondContact ND2-OD2 3.23Å; W87-D94 PolarHBondContact N-OD1 3Å; W87-D94 WeakPolarHBondContact O-CA 3.29Å; W87-D94 WeakPolarHBondContact O-CB 3.2Å; W87-D94 PolarHBondContact O-N 3.44Å; D94-S96 PolarHBondContact O-N 3.18Å; D94-L97 WeakPolarHBondContact O-CB 3.13Å; D94-L97 PolarHBondContact O-N 2.92Å; D94-D98 PolarHBondContact O-N 3.4Å; D94-R109 VanDerWaalsContact CG-NH1 3.29Å; D94-R109 VanDerWaalsContact CG-NH2 3.31Å; D94-R109 IonicContact OD1-CZ 2.68Å; D94-R109 VanDerWaalsContact OD1-CZ 3.3Å; D94-R109 IonicContact OD1-NH1 3.76Å; D94-R109 PolarHBondContact OD1-NH1 3.34Å; D94-R109 IonicContact OD1-NH2 2.66Å; D94-R109 PolarHBondContact OD1-NH2 2.81Å; D94-R109 IonicContact OD2-CZ 2.79Å; D94-R109 IonicContact OD2-NH1 2.73Å; D94-R109 PolarHBondContact OD2-NH1 2.81Å; D94-R109 IonicContact OD2-NH2 3.81Å |
| 95 | Y | 79.8 | Confident | 84.9 | Confident | 165 Ų | 165 | 63.5 Ų | 63.5 | 65% | 0.647 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -64.7 | -23.1 | 177.9 | 66.3 | -96.6 | 0 | 0 | 0 | 114.5 | H93 L97 T99 | H93-Y95 VanDerWaalsContact C-N 3.3Å; H93-Y95 HydrophobicContact CB-CD1 3.98Å; H93-Y95 HydrophobicContact CB-CE1 3.51Å; H93-Y95 PolarHBondContact O-N 2.76Å; H93-Y95 VanDerWaalsContact O-N 3.09Å; Y95-L97 VanDerWaalsContact C-N 3.34Å; Y95-T99 PolarHBondContact O-OG1 3.06Å |
| 96 | S | 80.7 | Confident | 84.7 | Confident | 28 Ų | 28 | 65.2 Ų | 65.2 | 20% | 0.196 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -84.4 | -9.9 | 175 | -54.8 | 0 | 0 | 0 | 0 | 112.8 | H93 D94 N100 | H93-S96 WeakPolarHBondContact O-CA 3.36Å; H93-S96 VanDerWaalsContact O-CB 3.27Å; H93-S96 WeakPolarHBondContact O-CB 3.47Å; H93-S96 PolarHBondContact O-N 3.05Å; D94-S96 PolarHBondContact O-N 3.18Å; S96-N100 WeakPolarHBondContact O-CB 3.5Å |
| 97 | L | 82.7 | Confident | 84.3 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -45.6 | 176.3 | -53.6 | 177.4 | 0 | 0 | 0 | 110 | W87 V89 L92 D94 Y95 T99 N100 Y103 F105 | W87-L97 HydrophobicContact CB-CD1 3.75Å; W87-L97 WeakPolarHBondContact O-CD1 3.3Å; V89-L97 HydrophobicContact CB-CD2 4.01Å; V89-L97 HydrophobicContact CG2-CD1 3.96Å; V89-L97 HydrophobicContact CG2-CD2 3.89Å; L92-L97 HydrophobicContact CB-CD2 3.86Å; L92-L97 HydrophobicContact CD1-CD2 4.27Å; D94-L97 WeakPolarHBondContact O-CB 3.13Å; D94-L97 PolarHBondContact O-N 2.92Å; Y95-L97 VanDerWaalsContact C-N 3.34Å; L97-T99 PolarHBondContact O-N 3.09Å; L97-T99 VanDerWaalsContact O-N 3.09Å; L97-N100 PolarHBondContact O-N 3.14Å; L97-Y103 HydrophobicContact CD2-CD2 3.69Å; L97-Y103 HydrophobicContact CD2-CE2 3.76Å; L97-Y103 HydrophobicContact CD2-CG 4.22Å; L97-F105 HydrophobicContact CB-CE2 3.94Å; L97-F105 HydrophobicContact CB-CZ 3.76Å; L97-F105 HydrophobicContact CD1-CZ 4.02Å |
| 98 | D | 81.3 | Confident | 83.9 | Confident | 97 Ų | 97 | 72.2 Ų | 72.2 | 52% | 0.519 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -17.9 | 178 | -62.2 | -33.2 | 0 | 0 | 0 | 113.7 | D94 F105 R109 | D94-D98 PolarHBondContact O-N 3.4Å; D98-F105 WeakPolarHBondContact OD1-CE2 3.43Å; D98-R109 VanDerWaalsContact CG-NH2 3.31Å; D98-R109 IonicContact OD1-CZ 2.95Å; D98-R109 IonicContact OD1-NE 3.63Å; D98-R109 PolarHBondContact OD1-NE 2.78Å; D98-R109 IonicContact OD1-NH2 2.79Å; D98-R109 PolarHBondContact OD1-NH2 2.92Å; D98-R109 IonicContact OD2-CZ 2.88Å; D98-R109 IonicContact OD2-NH2 2.69Å; D98-R109 PolarHBondContact OD2-NH2 2.89Å |
| 99 | T | 80 | Confident | 83.7 | Confident | 115 Ų | 115 | 70.9 Ų | 70.9 | 71% | 0.706 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 2.7 | 177.1 | 44.8 | 0 | 0 | 0 | 0 | 113.8 | Y95 L97 | Y95-T99 PolarHBondContact O-OG1 3.06Å; L97-T99 PolarHBondContact O-N 3.09Å; L97-T99 VanDerWaalsContact O-N 3.09Å |
| 100 | N | 81.6 | Confident | 83.6 | Confident | 59 Ų | 59 | 73.2 Ų | 73.2 | 32% | 0.316 | 36% | 0.36 | S | S | . | . | trans | -124.7 | 110.1 | -171.5 | -176.9 | -6.5 | 0 | 0 | 0 | 112 | S96 L97 H102 Y103 | S96-N100 WeakPolarHBondContact O-CB 3.5Å; L97-N100 PolarHBondContact O-N 3.14Å; N100-H102 PolarHBondContact O-N 3.23Å; N100-H102 VanDerWaalsContact OD1-CB 3.3Å; N100-H102 WeakPolarHBondContact OD1-CB 3.45Å; N100-H102 PolarHBondContact OD1-N 2.95Å; N100-H102 VanDerWaalsContact OD1-N 3.07Å; N100-Y103 HydrophobicContact CB-CD2 4.15Å; N100-Y103 PolarHBondContact O-N 3.24Å | ||
| 101 | N | 84 | Confident | 83.6 | Confident | 138 Ų | 138 | 69.7 Ų | 69.7 | 74% | 0.738 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -6.1 | -179.1 | -62.6 | 1.8 | 0 | 0 | 0 | 115.2 | Y103 H104 T115 | N101-Y103 VanDerWaalsContact C-N 3.27Å; N101-H104 PolarHBondContact O-CE1 3.1Å; N101-T115 PolarHBondContact O-OG1 3.1Å |
| 102 | H | 86.6 | Confident | 83.9 | Confident | 45 Ų | 45 | 63.2 Ų | 63.2 | 21% | 0.208 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -13.7 | 171.9 | -159.5 | 55.4 | 0 | 0 | 0 | 113.6 | N100 V114 T115 D122 | N100-H102 PolarHBondContact O-N 3.23Å; N100-H102 VanDerWaalsContact OD1-CB 3.3Å; N100-H102 WeakPolarHBondContact OD1-CB 3.45Å; N100-H102 PolarHBondContact OD1-N 2.95Å; N100-H102 VanDerWaalsContact OD1-N 3.07Å; H102-V114 WeakPolarHBondContact NE2-CG1 3.38Å; H102-T115 PolarHBondContact CE1-O 2.83Å; H102-T115 PolarHBondContact O-N 2.65Å; H102-T115 PolarHBondContact O-OG1 2.74Å; H102-D122 IonicContact CD2-OD1 3.52Å; H102-D122 PolarHBondContact CD2-OD1 3.02Å; H102-D122 IonicContact CE1-OD2 3.5Å; H102-D122 IonicContact NE2-OD1 3.44Å; H102-D122 PolarHBondContact NE2-OD1 3.21Å; H102-D122 IonicContact NE2-OD2 3.18Å; H102-D122 PolarHBondContact NE2-OD2 2.82Å |
| 103 | Y | 88.2 | Confident | 84.2 | Confident | 11 Ų | 11 | 63 Ų | 63 | 4% | 0.043 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 133 | -179.7 | -57.8 | -68.5 | 0 | 0 | 0 | 110.9 | V89 R90 L92 L97 N100 N101 L112 V114 Y126 | V89-Y103 HydrophobicContact CG1-CE1 4.13Å; V89-Y103 HydrophobicContact CG2-CE1 4.33Å; R90-Y103 PolarHBondContact NH2-OH 3.45Å; L92-Y103 HydrophobicContact CD1-CE2 3.95Å; L97-Y103 HydrophobicContact CD2-CD2 3.69Å; L97-Y103 HydrophobicContact CD2-CE2 3.76Å; L97-Y103 HydrophobicContact CD2-CG 4.22Å; N100-Y103 HydrophobicContact CB-CD2 4.15Å; N100-Y103 PolarHBondContact O-N 3.24Å; N101-Y103 VanDerWaalsContact C-N 3.27Å; Y103-L112 HydrophobicContact CD1-CD1 4.08Å; Y103-L112 HydrophobicContact CG-CD1 4.46Å; Y103-V114 HydrophobicContact CD1-CG2 4Å; Y103-V114 HydrophobicContact CE1-CG1 4.42Å; Y103-V114 HydrophobicContact CE1-CG2 4.07Å; Y103-Y126 HydrophobicContact CE1-CE1 4.3Å |
| 104 | H | 87.5 | Confident | 84.5 | Confident | 98 Ų | 98 | 59.1 Ų | 59.1 | 45% | 0.454 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 138.7 | 177.7 | -69.2 | -21.9 | 0 | 0 | 0 | 110.7 | N101 E113 | N101-H104 PolarHBondContact O-CE1 3.1Å; H104-E113 HydrophobicContact CB-CB 4.48Å; H104-E113 PolarHBondContact N-O 3.08Å; H104-E113 PolarHBondContact O-N 3.42Å |
| 105 | F | 88.6 | Confident | 84.6 | Confident | 53 Ų | 53 | 59.9 Ų | 59.9 | 23% | 0.232 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 128.9 | -175.6 | -69.1 | -67.4 | 0 | 0 | 0 | 111.1 | W87 L97 D98 R109 I111 L112 | W87-F105 HydrophobicContact CB-CE1 4.1Å; W87-F105 HydrophobicContact CB-CZ 4.44Å; W87-F105 AromaticContact CD1-CE1 3.49Å; W87-F105 VanDerWaalsContact CD1-CE1 3.49Å; W87-F105 AromaticContact CG-CE1 3.91Å; W87-F105 HydrophobicContact CG-CE1 3.91Å; L97-F105 HydrophobicContact CB-CE2 3.94Å; L97-F105 HydrophobicContact CB-CZ 3.76Å; L97-F105 HydrophobicContact CD1-CZ 4.02Å; D98-F105 WeakPolarHBondContact OD1-CE2 3.43Å; F105-R109 HydrophobicContact CB-CB 4.33Å; F105-R109 HydrophobicContact CB-CG 4.02Å; F105-R109 HydrophobicContact CD1-CB 4.16Å; F105-R109 HydrophobicContact CD1-CG 4.47Å; F105-R109 HydrophobicContact CG-CB 4.35Å; F105-R109 HydrophobicContact CG-CG 4.17Å; F105-I111 WeakPolarHBondContact CA-O 3.38Å; F105-L112 HydrophobicContact CD1-CB 4.49Å; F105-L112 HydrophobicContact CD1-CD1 4.15Å; F105-L112 HydrophobicContact CE1-CB 4.39Å; F105-L112 HydrophobicContact CE1-CD1 3.75Å; F105-L112 HydrophobicContact CZ-CD1 4.26Å |
| 106 | S | 85.1 | Confident | 84.3 | Confident | 46 Ų | 46 | 58.2 Ų | 58.2 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 163.3 | 177.7 | -171.3 | 0 | 0 | 0 | 0 | 111.1 | R109 R110 I111 | S106-R109 PolarHBondContact O-N 3.4Å; S106-R110 PolarHBondContact O-N 3.06Å; S106-I111 PolarHBondContact N-O 3.05Å; S106-I111 PolarHBondContact O-N 2.95Å |
| 107 | Q | 81.6 | Confident | 84.2 | Confident | 67 Ų | 67 | 60.7 Ų | 60.7 | 31% | 0.313 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.2 | 66.1 | -177 | -62 | -175.3 | 3.3 | 0 | 0 | 114 | R109 R110 I111 | Q107-R109 PolarHBondContact O-N 3.34Å; Q107-R110 HydrophobicContact CB-CB 4.24Å; Q107-R110 WeakPolarHBondContact O-CB 3.02Å; Q107-R110 PolarHBondContact O-N 2.63Å; Q107-I111 HydrophobicContact CB-CD1 4.49Å; Q107-I111 HydrophobicContact CB-CG1 4.44Å; Q107-I111 HydrophobicContact CG-CD1 4.03Å |
| 108 | Q | 82.8 | Confident | 84.3 | Confident | 128 Ų | 128 | 60.7 Ų | 60.7 | 60% | 0.598 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 38.3 | 179.2 | -60.1 | 172.8 | -21.3 | 0 | 0 | 113.3 | R110 | Q108-R110 PolarHBondContact O-N 3.06Š|
| 109 | R | 88.4 | Confident | 84.4 | Confident | 51 Ų | 51 | 60.8 Ų | 60.8 | 19% | 0.192 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 10 | -174.9 | -47.1 | 176.4 | 84.6 | -123.4 | 8.8 | 115 | Y85 W87 D94 D98 F105 S106 Q107 I111 | Y85-R109 WeakPolarHBondContact CB-O 3.42Å; Y85-R109 PolarHBondContact O-NH1 2.78Å; W87-R109 PolarHBondContact NE1-O 3.17Å; D94-R109 VanDerWaalsContact CG-NH1 3.29Å; D94-R109 VanDerWaalsContact CG-NH2 3.31Å; D94-R109 IonicContact OD1-CZ 2.68Å; D94-R109 VanDerWaalsContact OD1-CZ 3.3Å; D94-R109 IonicContact OD1-NH1 3.76Å; D94-R109 PolarHBondContact OD1-NH1 3.34Å; D94-R109 IonicContact OD1-NH2 2.66Å; D94-R109 PolarHBondContact OD1-NH2 2.81Å; D94-R109 IonicContact OD2-CZ 2.79Å; D94-R109 IonicContact OD2-NH1 2.73Å; D94-R109 PolarHBondContact OD2-NH1 2.81Å; D94-R109 IonicContact OD2-NH2 3.81Å; D98-R109 VanDerWaalsContact CG-NH2 3.31Å; D98-R109 IonicContact OD1-CZ 2.95Å; D98-R109 IonicContact OD1-NE 3.63Å; D98-R109 PolarHBondContact OD1-NE 2.78Å; D98-R109 IonicContact OD1-NH2 2.79Å; D98-R109 PolarHBondContact OD1-NH2 2.92Å; D98-R109 IonicContact OD2-CZ 2.88Å; D98-R109 IonicContact OD2-NH2 2.69Å; D98-R109 PolarHBondContact OD2-NH2 2.89Å; F105-R109 HydrophobicContact CB-CB 4.33Å; F105-R109 HydrophobicContact CB-CG 4.02Å; F105-R109 HydrophobicContact CD1-CB 4.16Å; F105-R109 HydrophobicContact CD1-CG 4.47Å; F105-R109 HydrophobicContact CG-CB 4.35Å; F105-R109 HydrophobicContact CG-CG 4.17Å; S106-R109 PolarHBondContact O-N 3.4Å; Q107-R109 PolarHBondContact O-N 3.34Å; R109-I111 VanDerWaalsContact C-N 3.27Å; R109-I111 PolarHBondContact O-N 3.47Å |
| 110 | R | 86.7 | Confident | 84.4 | Confident | 50 Ų | 50 | 58.9 Ų | 58.9 | 19% | 0.189 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -25.1 | 173.5 | -172 | 172.9 | 173.7 | -92.8 | -21.8 | 113.1 | E50 C51 Y85 S106 Q107 Q108 | E50-R110 IonicContact OE1-CZ 3.12Å; E50-R110 IonicContact OE1-NH1 2.7Å; E50-R110 PolarHBondContact OE1-NH1 3.04Å; E50-R110 IonicContact OE1-NH2 2.72Å; E50-R110 PolarHBondContact OE1-NH2 3.37Å; C51-R110 HydrophobicContact CB-CG 4.25Å; C51-R110 WeakPolarHBondContact CB-O 3.33Å; C51-R110 PolarHBondContact N-O 2.88Å; C51-R110 PolarHBondContact O-NH2 2.87Å; Y85-R110 HydrophobicContact CD1-CB 4.46Å; Y85-R110 HydrophobicContact CD1-CG 4.29Å; Y85-R110 HydrophobicContact CD2-CB 3.77Å; Y85-R110 HydrophobicContact CD2-CG 4.25Å; Y85-R110 HydrophobicContact CE1-CB 4.48Å; Y85-R110 HydrophobicContact CE1-CG 3.95Å; Y85-R110 HydrophobicContact CE2-CB 3.82Å; Y85-R110 HydrophobicContact CE2-CG 3.93Å; Y85-R110 HydrophobicContact CG-CB 4.12Å; Y85-R110 HydrophobicContact CG-CG 4.44Å; S106-R110 PolarHBondContact O-N 3.06Å; Q107-R110 HydrophobicContact CB-CB 4.24Å; Q107-R110 WeakPolarHBondContact O-CB 3.02Å; Q107-R110 PolarHBondContact O-N 2.63Å; Q108-R110 PolarHBondContact O-N 3.06Å |
| 111 | I | 88.2 | Confident | 84.4 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 134.3 | 176.7 | -59 | -177.7 | 0 | 0 | 0 | 109.6 | R48 L49 E50 F105 S106 Q107 R109 E113 | R48-I111 HydrophobicContact CG-CG2 4.14Å; L49-I111 CarbonylContact O-C 3.59Å; L49-I111 WeakPolarHBondContact O-CA 3.42Å; E50-I111 HydrophobicContact CB-CD1 4.47Å; E50-I111 HydrophobicContact CB-CG1 4.07Å; E50-I111 HydrophobicContact CG-CD1 4.33Å; E50-I111 HydrophobicContact CG-CG1 3.97Å; F105-I111 WeakPolarHBondContact CA-O 3.38Å; S106-I111 PolarHBondContact N-O 3.05Å; S106-I111 PolarHBondContact O-N 2.95Å; Q107-I111 HydrophobicContact CB-CD1 4.49Å; Q107-I111 HydrophobicContact CB-CG1 4.44Å; Q107-I111 HydrophobicContact CG-CD1 4.03Å; R109-I111 VanDerWaalsContact C-N 3.27Å; R109-I111 PolarHBondContact O-N 3.47Å; I111-E113 HydrophobicContact CG2-CG 4.1Å; I111-E113 WeakPolarHBondContact CG2-OE1 3.43Å |
| 112 | L | 88.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 125.3 | 172.5 | 171.1 | 60.5 | 0 | 0 | 0 | 109.3 | L49 W87 V89 Y103 F105 Y126 | L49-L112 PolarHBondContact N-O 3.17Å; L49-L112 PolarHBondContact O-N 3.08Å; W87-L112 HydrophobicContact CB-CD2 4.43Å; W87-L112 HydrophobicContact CD2-CB 3.92Å; W87-L112 HydrophobicContact CD2-CD2 3.8Å; W87-L112 HydrophobicContact CE3-CB 4.2Å; W87-L112 HydrophobicContact CE3-CD2 3.58Å; W87-L112 HydrophobicContact CG-CB 4.48Å; W87-L112 HydrophobicContact CG-CD2 4.19Å; W87-L112 HydrophobicContact CH2-CB 4.1Å; W87-L112 HydrophobicContact CZ2-CB 3.83Å; W87-L112 HydrophobicContact CZ3-CB 4.28Å; W87-L112 HydrophobicContact CZ3-CD2 4.06Å; V89-L112 HydrophobicContact CG2-CD2 4Å; Y103-L112 HydrophobicContact CD1-CD1 4.08Å; Y103-L112 HydrophobicContact CG-CD1 4.46Å; F105-L112 HydrophobicContact CD1-CB 4.49Å; F105-L112 HydrophobicContact CD1-CD1 4.15Å; F105-L112 HydrophobicContact CE1-CB 4.39Å; F105-L112 HydrophobicContact CE1-CD1 3.75Å; F105-L112 HydrophobicContact CZ-CD1 4.26Å; L112-Y126 HydrophobicContact CD2-CD1 3.76Å; L112-Y126 HydrophobicContact CD2-CE1 4.15Å |
| 113 | E | 88.8 | Confident | 84.5 | Confident | 54 Ų | 54 | 52.9 Ų | 52.9 | 25% | 0.252 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 137.4 | 177.5 | -74.2 | 156.9 | -166.5 | 0 | 0 | 108.3 | R48 H104 I111 | R48-E113 HydrophobicContact CB-CG 4.17Å; R48-E113 HydrophobicContact CG-CG 3.71Å; R48-E113 IonicContact CZ-OE1 3.43Å; R48-E113 IonicContact NE-OE1 2.85Å; R48-E113 PolarHBondContact NE-OE1 3.21Å; R48-E113 IonicContact NH2-OE1 3.23Å; R48-E113 PolarHBondContact NH2-OE1 3.12Å; H104-E113 HydrophobicContact CB-CB 4.48Å; H104-E113 PolarHBondContact N-O 3.08Å; H104-E113 PolarHBondContact O-N 3.42Å; I111-E113 HydrophobicContact CG2-CG 4.1Å; I111-E113 WeakPolarHBondContact CG2-OE1 3.43Å |
| 114 | V | 85.9 | Confident | 84.5 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 4% | 0.036 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 133.2 | -180 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | L47 H102 Y103 L118 Y126 | L47-V114 HydrophobicContact CB-CB 4.22Å; L47-V114 HydrophobicContact CB-CG2 4.36Å; L47-V114 HydrophobicContact CD2-CB 4.25Å; L47-V114 HydrophobicContact CD2-CG2 3.71Å; L47-V114 HydrophobicContact CG-CB 4.4Å; L47-V114 HydrophobicContact CG-CG2 3.99Å; L47-V114 PolarHBondContact O-N 3Å; H102-V114 WeakPolarHBondContact NE2-CG1 3.38Å; Y103-V114 HydrophobicContact CD1-CG2 4Å; Y103-V114 HydrophobicContact CE1-CG1 4.42Å; Y103-V114 HydrophobicContact CE1-CG2 4.07Å; V114-L118 HydrophobicContact CB-CD1 4.31Å; V114-L118 HydrophobicContact CG1-CD1 3.95Å; V114-Y126 HydrophobicContact CG2-CE1 4.18Å |
| 115 | T | 79.4 | Confident | 84.6 | Confident | 45 Ų | 45 | 52.9 Ų | 52.9 | 28% | 0.276 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 137.2 | -169.7 | -53 | 0 | 0 | 0 | 0 | 112.3 | N101 H102 | N101-T115 PolarHBondContact O-OG1 3.1Å; H102-T115 PolarHBondContact CE1-O 2.83Å; H102-T115 PolarHBondContact O-N 2.65Å; H102-T115 PolarHBondContact O-OG1 2.74Å |
| 116 | E | 73.6 | Confident | 84.7 | Confident | 130 Ų | 130 | 50.4 Ų | 50.4 | 61% | 0.607 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -72.5 | 147.2 | -179.3 | -66.2 | 178.9 | -177.7 | 0 | 0 | 112.8 | L46 | L46-E116 HydrophobicContact CD1-CG 4.22Š|
| 117 | P | 77.8 | Confident | 85 | Confident | 80 Ų | 80 | 49.1 Ų | 49.1 | 52% | 0.519 | 26% | 0.264 | S | S | . | . | S | Bend | cis | -85.5 | 134.7 | -4.6 | 33.3 | -32.7 | 0 | 0 | 0 | 112 | Q119 | P117-Q119 VanDerWaalsContact O-CG 3.32Å; P117-Q119 WeakPolarHBondContact O-CG 3.25Å |
| 118 | L | 85 | Confident | 85.5 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -59.8 | 134.4 | 175.4 | -173.7 | 72 | 0 | 0 | 0 | 111.6 | L41 V43 G44 D45 L47 V114 D122 V145 | L41-L118 HydrophobicContact CB-CD2 4Å; L41-L118 HydrophobicContact CD1-CD2 3.61Å; L41-L118 HydrophobicContact CG-CD2 4.46Å; V43-L118 WeakPolarHBondContact CA-O 3.44Å; G44-L118 PolarHBondContact N-O 2.99Å; G44-L118 VanDerWaalsContact N-O 3.16Å; D45-L118 WeakPolarHBondContact O-CB 3.44Å; L47-L118 HydrophobicContact CB-CD1 3.82Å; L47-L118 HydrophobicContact CB-CD2 3.93Å; L47-L118 HydrophobicContact CB-CG 4.5Å; L47-L118 HydrophobicContact CD2-CD1 3.82Å; V114-L118 HydrophobicContact CB-CD1 4.31Å; V114-L118 HydrophobicContact CG1-CD1 3.95Å; L118-D122 HydrophobicContact CD1-CB 3.63Å; L118-D122 HydrophobicContact CG-CB 4.44Å; L118-V145 HydrophobicContact CD1-CG2 4.29Å; L118-V145 HydrophobicContact CD2-CB 4.5Å; L118-V145 HydrophobicContact CD2-CG1 3.94Å; L118-V145 HydrophobicContact CD2-CG2 3.7Å; L118-V145 HydrophobicContact CG-CG1 3.95Å; L118-V145 HydrophobicContact CG-CG2 3.89Å |
| 119 | Q | 83.4 | Confident | 85.8 | Confident | 98 Ų | 98 | 40.3 Ų | 40.3 | 46% | 0.458 | 22% | 0.223 | S | C | . | . | trans | -115.8 | 161.4 | -172.9 | -55.1 | -168.5 | 8.7 | 0 | 0 | 112.7 | P117 S121 D122 V145 | P117-Q119 VanDerWaalsContact O-CG 3.32Å; P117-Q119 WeakPolarHBondContact O-CG 3.25Å; Q119-S121 WeakPolarHBondContact CB-OG 3.31Å; Q119-S121 PolarHBondContact O-N 2.8Å; Q119-D122 PolarHBondContact N-OD2 2.87Å; Q119-D122 VanDerWaalsContact O-CB 3.31Å; Q119-D122 WeakPolarHBondContact O-CB 3.35Å; Q119-D122 PolarHBondContact O-N 3.23Å; Q119-V145 WeakPolarHBondContact O-CB 3.3Å; Q119-V145 WeakPolarHBondContact O-CG1 3.3Å | ||
| 120 | V | 79.6 | Confident | 85.8 | Confident | 75 Ų | 75 | 37.9 Ų | 37.9 | 46% | 0.455 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -56.7 | -33.5 | 175 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | V43 D122 S123 D147 | V43-V120 HydrophobicContact CG2-CG2 3.69Å; V120-D122 PolarHBondContact O-N 2.84Å; V120-S123 WeakPolarHBondContact O-CB 3.38Å; V120-S123 PolarHBondContact O-N 2.92Å; V120-S123 VanDerWaalsContact O-N 3.13Å; V120-S123 PolarHBondContact O-OG 2.87Å; V120-D147 HydrophobicContact CG2-CB 3.8Å |
| 121 | S | 81.9 | Confident | 85.8 | Confident | 77 Ų | 77 | 37.9 Ų | 37.9 | 54% | 0.538 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -64.2 | -11.9 | 173.8 | 47.8 | 0 | 0 | 0 | 0 | 114.9 | R90 Q119 S123 | R90-S121 PolarHBondContact NH1-O 3.18Å; R90-S121 PolarHBondContact NH2-O 3.12Å; Q119-S121 WeakPolarHBondContact CB-OG 3.31Å; Q119-S121 PolarHBondContact O-N 2.8Å; S121-S123 VanDerWaalsContact C-N 3.33Å |
| 122 | D | 86.5 | Confident | 85.7 | Confident | 5 Ų | 5 | 38.9 Ų | 38.9 | 3% | 0.027 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -86.1 | -5.4 | 174.4 | -62.1 | -45.7 | 0 | 0 | 0 | 113.2 | R90 H102 L118 Q119 V120 Y126 V145 | R90-D122 PolarHBondContact NH1-O 3.19Å; R90-D122 IonicContact NH2-OD1 3.93Å; H102-D122 IonicContact CD2-OD1 3.52Å; H102-D122 PolarHBondContact CD2-OD1 3.02Å; H102-D122 IonicContact CE1-OD2 3.5Å; H102-D122 IonicContact NE2-OD1 3.44Å; H102-D122 PolarHBondContact NE2-OD1 3.21Å; H102-D122 IonicContact NE2-OD2 3.18Å; H102-D122 PolarHBondContact NE2-OD2 2.82Å; L118-D122 HydrophobicContact CD1-CB 3.63Å; L118-D122 HydrophobicContact CG-CB 4.44Å; Q119-D122 PolarHBondContact N-OD2 2.87Å; Q119-D122 VanDerWaalsContact O-CB 3.31Å; Q119-D122 WeakPolarHBondContact O-CB 3.35Å; Q119-D122 PolarHBondContact O-N 3.23Å; V120-D122 PolarHBondContact O-N 2.84Å; D122-Y126 WeakPolarHBondContact O-CE2 3.24Å; D122-Y126 PolarHBondContact O-OH 3.38Å; D122-V145 HydrophobicContact CB-CG2 4.41Å |
| 123 | S | 86.6 | Confident | 85.2 | Confident | 34 Ų | 34 | 42.9 Ų | 42.9 | 24% | 0.238 | 27% | 0.265 | C | S | . | . | trans | -58.3 | 152.7 | 169.9 | -52.1 | 0 | 0 | 0 | 0 | 112.3 | R90 V120 S121 V143 V145 | R90-S123 WeakPolarHBondContact CD-O 3.31Å; R90-S123 PolarHBondContact NH1-O 3.32Å; V120-S123 WeakPolarHBondContact O-CB 3.38Å; V120-S123 PolarHBondContact O-N 2.92Å; V120-S123 VanDerWaalsContact O-N 3.13Å; V120-S123 PolarHBondContact O-OG 2.87Å; S121-S123 VanDerWaalsContact C-N 3.33Å; S123-V143 CarbonylContact C-O 3.6Å; S123-V143 VanDerWaalsContact CA-O 3.25Å; S123-V143 WeakPolarHBondContact CA-O 3.18Å; S123-V145 PolarHBondContact OG-N 2.89Å; S123-V145 PolarHBondContact OG-O 3.26Å | ||
| 124 | G | 87.8 | Confident | 84.8 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 24% | 0.237 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 132.6 | -166.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y126 V143 | G124-Y126 WeakPolarHBondContact O-CD2 3.4Å; G124-V143 PolarHBondContact N-O 3.23Å; G124-V143 PolarHBondContact O-N 3.44Å |
| 125 | N | 90.8 | Very high | 84.5 | Confident | 87 Ų | 87 | 51 Ų | 51 | 47% | 0.465 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 129.6 | -175 | -66.9 | -7.8 | 0 | 0 | 0 | 111.6 | R90 T140 F141 | R90-N125 PolarHBondContact N-O 3.47Å; N125-T140 HydrophobicContact CB-CG2 3.91Å; N125-F141 WeakPolarHBondContact CA-O 3.49Å |
| 126 | Y | 91 | Very high | 84.9 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 108.2 | 177 | -74.3 | -111 | 0 | 0 | 0 | 108.4 | L47 L49 V89 Y103 L112 V114 D122 G124 T140 F141 V143 | L47-Y126 HydrophobicContact CD2-CE1 4.36Å; L49-Y126 HydrophobicContact CD1-CD1 3.66Å; L49-Y126 HydrophobicContact CD1-CE1 4.47Å; L49-Y126 HydrophobicContact CD1-CG 3.76Å; V89-Y126 HydrophobicContact CB-CD1 4.3Å; V89-Y126 HydrophobicContact CB-CE1 4.23Å; V89-Y126 HydrophobicContact CG1-CD1 3.87Å; V89-Y126 HydrophobicContact CG1-CD2 4.34Å; V89-Y126 HydrophobicContact CG1-CE1 3.44Å; V89-Y126 VanDerWaalsContact CG1-CE1 3.44Å; V89-Y126 HydrophobicContact CG1-CE2 3.95Å; V89-Y126 HydrophobicContact CG1-CG 4.29Å; V89-Y126 VanDerWaalsContact CG1-CZ 3.47Å; V89-Y126 HydrophobicContact CG2-CD1 3.6Å; V89-Y126 HydrophobicContact CG2-CE1 3.73Å; V89-Y126 HydrophobicContact CG2-CG 4.38Å; Y103-Y126 HydrophobicContact CE1-CE1 4.3Å; L112-Y126 HydrophobicContact CD2-CD1 3.76Å; L112-Y126 HydrophobicContact CD2-CE1 4.15Å; V114-Y126 HydrophobicContact CG2-CE1 4.18Å; D122-Y126 WeakPolarHBondContact O-CE2 3.24Å; D122-Y126 PolarHBondContact O-OH 3.38Å; G124-Y126 WeakPolarHBondContact O-CD2 3.4Å; Y126-T140 WeakPolarHBondContact O-CA 3.46Å; Y126-F141 PolarHBondContact N-O 2.76Å; Y126-F141 WeakPolarHBondContact O-CD2 3.2Å; Y126-F141 PolarHBondContact O-N 2.88Å; Y126-V143 HydrophobicContact CD2-CB 3.96Å; Y126-V143 HydrophobicContact CD2-CG2 3.52Å; Y126-V143 HydrophobicContact CE2-CB 3.91Å; Y126-V143 HydrophobicContact CE2-CG2 3.87Å; Y126-V143 HydrophobicContact CG-CG2 4.2Å |
| 127 | T | 91 | Very high | 85.4 | Confident | 20 Ų | 20 | 51.9 Ų | 51.9 | 12% | 0.123 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 118 | -178.5 | -55.4 | 0 | 0 | 0 | 0 | 110.6 | W87 K88 E138 V139 T140 | W87-T127 CarbonylContact C-O 3.57Å; W87-T127 WeakPolarHBondContact CA-O 3.48Å; K88-T127 PolarHBondContact N-O 2.71Å; K88-T127 PolarHBondContact O-N 3.05Å; T127-E138 HydrophobicContact CG2-CB 4.14Å; T127-V139 CarbonylContact C-O 3.58Å; T127-V139 WeakPolarHBondContact CA-O 3.45Å; T127-T140 WeakPolarHBondContact CG2-OG1 3.31Å; T127-T140 PolarHBondContact OG1-OG1 3.45Å |
| 128 | C | 91 | Very high | 86 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 134.4 | 162.8 | 177.7 | 0 | 0 | 0 | 0 | 109.8 | C51 W87 E138 V139 | C51-C128 HydrophobicContact CB-CB 3.91Å; C51-C128 WeakPolarHBondContact CB-SG 3.46Å; C51-C128 WeakPolarHBondContact SG-CB 3.35Å; C51-C128 CovalentContact SG-SG 2.03Å; C51-C128 PolarHBondContact SG-SG 2.82Å; W87-C128 HydrophobicContact CD2-CB 4.17Å; W87-C128 HydrophobicContact CE3-CB 4.05Å; W87-C128 HydrophobicContact CH2-CB 3.9Å; W87-C128 HydrophobicContact CZ2-CB 4Å; W87-C128 HydrophobicContact CZ3-CB 3.92Å; C128-E138 WeakPolarHBondContact O-CA 3.35Å; C128-V139 PolarHBondContact N-O 3.12Å; C128-V139 PolarHBondContact O-N 2.98Å |
| 129 | S | 90.1 | Very high | 86.1 | Confident | 9 Ų | 9 | 53.9 Ų | 53.9 | 6% | 0.063 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 123 | 167.8 | -67 | 0 | 0 | 0 | 0 | 109.9 | Y85 N86 K136 R137 | Y85-S129 WeakPolarHBondContact CA-O 3.36Å; N86-S129 PolarHBondContact N-O 3.13Å; N86-S129 PolarHBondContact O-N 2.95Å; S129-K136 WeakPolarHBondContact OG-CE 3.26Å; S129-K136 PolarHBondContact OG-NZ 3.05Å; S129-K136 VanDerWaalsContact OG-NZ 3.11Å; S129-R137 WeakPolarHBondContact CA-O 3.42Å |
| 130 | G | 88 | Confident | 86.4 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 128.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | L61 K136 R137 | L61-G130 WeakPolarHBondContact CD1-O 3.36Å; G130-K136 WeakPolarHBondContact O-CA 3.42Å; G130-R137 PolarHBondContact N-O 3Å; G130-R137 PolarHBondContact O-N 3.35Å |
| 131 | I | 87.3 | Confident | 86.7 | Confident | 51 Ų | 51 | 48.4 Ų | 48.4 | 26% | 0.262 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 132.7 | -174 | -58.5 | 162.4 | 0 | 0 | 0 | 109.7 | V83 I84 N86 K136 | V83-I131 CarbonylContact C-O 3.57Å; V83-I131 WeakPolarHBondContact CA-O 3.37Å; I84-I131 HydrophobicContact CB-CB 4.42Å; I84-I131 PolarHBondContact N-O 3.36Å; I84-I131 PolarHBondContact O-N 3.45Å; N86-I131 HydrophobicContact CB-CD1 4.41Å; I131-K136 HydrophobicContact CG1-CB 4.47Å; I131-K136 HydrophobicContact CG1-CD 4.25Å; I131-K136 HydrophobicContact CG1-CG 3.91Å |
| 132 | T | 85.5 | Confident | 87 | Confident | 20 Ų | 20 | 47.9 Ų | 47.9 | 12% | 0.123 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 172 | 167.1 | 65.8 | 0 | 0 | 0 | 0 | 109.9 | I55 L61 V83 F134 G135 | I55-T132 HydrophobicContact CD1-CG2 4.24Å; L61-T132 HydrophobicContact CD1-CG2 4.08Å; L61-T132 HydrophobicContact CD2-CG2 3.87Å; L61-T132 HydrophobicContact CG-CG2 3.94Å; V83-T132 HydrophobicContact CB-CG2 4.48Å; V83-T132 HydrophobicContact CG2-CG2 3.86Å; T132-F134 PolarHBondContact O-N 3.15Å; T132-F134 PolarHBondContact OG1-N 3.25Å; T132-G135 PolarHBondContact N-O 3.21Å; T132-G135 PolarHBondContact O-N 3.34Å; T132-G135 VanDerWaalsContact O-O 3.13Å |
| 133 | G | 78.7 | Confident | 87 | Confident | 84 Ų | 84 | 47.7 Ų | 47.7 | 87% | 0.866 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -7.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 134 | F | 80.1 | Confident | 86.9 | Confident | 197 Ų | 197 | 48.9 Ų | 48.9 | 86% | 0.864 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -8.9 | -179.6 | -58.7 | -72.7 | 0 | 0 | 0 | 113.9 | T132 | T132-F134 PolarHBondContact O-N 3.15Å; T132-F134 PolarHBondContact OG1-N 3.25Å |
| 135 | G | 80 | Confident | 86.7 | Confident | 35 Ų | 35 | 48 Ų | 48 | 36% | 0.361 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.6 | -177 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L61 T132 | L61-G135 WeakPolarHBondContact CD1-O 3.36Å; T132-G135 PolarHBondContact N-O 3.21Å; T132-G135 PolarHBondContact O-N 3.34Å; T132-G135 VanDerWaalsContact O-O 3.13Å |
| 136 | K | 87.5 | Confident | 85.9 | Confident | 116 Ų | 116 | 46.7 Ų | 46.7 | 50% | 0.504 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 140.6 | 178.6 | -175.7 | 180 | -167 | -157.1 | 0 | 109.7 | S129 G130 I131 E138 | S129-K136 WeakPolarHBondContact OG-CE 3.26Å; S129-K136 PolarHBondContact OG-NZ 3.05Å; S129-K136 VanDerWaalsContact OG-NZ 3.11Å; G130-K136 WeakPolarHBondContact O-CA 3.42Å; I131-K136 HydrophobicContact CG1-CB 4.47Å; I131-K136 HydrophobicContact CG1-CD 4.25Å; I131-K136 HydrophobicContact CG1-CG 3.91Å; K136-E138 HydrophobicContact CD-CG 4.43Å; K136-E138 WeakPolarHBondContact CE-OE1 3.34Å; K136-E138 HydrophobicContact CG-CG 4.4Å; K136-E138 IonicContact NZ-OE1 3.3Å; K136-E138 PolarHBondContact NZ-OE1 2.71Å |
| 137 | R | 85 | Confident | 85.1 | Confident | 76 Ų | 76 | 49.3 Ų | 49.3 | 29% | 0.287 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 146.5 | 169 | -166.7 | 163.4 | -177.9 | 144.2 | 0.4 | 108.8 | I53 L61 S63 S129 G130 | I53-R137 HydrophobicContact CD1-CB 4.39Å; I53-R137 VanDerWaalsContact CD1-O 3.3Å; I53-R137 WeakPolarHBondContact CD1-O 3.37Å; I53-R137 HydrophobicContact CG2-CB 4.39Å; L61-R137 HydrophobicContact CB-CB 3.92Å; L61-R137 HydrophobicContact CD1-CB 4.32Å; L61-R137 WeakPolarHBondContact O-CD 3.48Å; L61-R137 PolarHBondContact O-NH1 3.49Å; S63-R137 VanDerWaalsContact N-NE 3.16Å; S63-R137 VanDerWaalsContact OG-CZ 3.32Å; S63-R137 PolarHBondContact OG-NE 3.07Å; S63-R137 PolarHBondContact OG-NH2 2.69Å; S129-R137 WeakPolarHBondContact CA-O 3.42Å; G130-R137 PolarHBondContact N-O 3Å; G130-R137 PolarHBondContact O-N 3.35Å |
| 138 | E | 89.2 | Confident | 84.1 | Confident | 108 Ų | 108 | 52.1 Ų | 52.1 | 51% | 0.505 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 145.6 | -176.7 | -61.3 | -174 | -175.4 | 0 | 0 | 110.5 | T127 C128 K136 | T127-E138 HydrophobicContact CG2-CB 4.14Å; C128-E138 WeakPolarHBondContact O-CA 3.35Å; K136-E138 HydrophobicContact CD-CG 4.43Å; K136-E138 WeakPolarHBondContact CE-OE1 3.34Å; K136-E138 HydrophobicContact CG-CG 4.4Å; K136-E138 IonicContact NZ-OE1 3.3Å; K136-E138 PolarHBondContact NZ-OE1 2.71Å |
| 139 | V | 87.2 | Confident | 82.9 | Confident | 16 Ų | 16 | 58.3 Ų | 58.3 | 10% | 0.097 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 129.5 | 172.6 | 174.7 | 0 | 0 | 0 | 0 | 108 | P52 I53 T127 C128 F141 | P52-V139 HydrophobicContact CG-CB 4.4Å; P52-V139 HydrophobicContact CG-CG1 4.01Å; P52-V139 HydrophobicContact CG-CG2 4.24Å; I53-V139 HydrophobicContact CD1-CB 4.48Å; I53-V139 HydrophobicContact CD1-CG2 4.03Å; I53-V139 HydrophobicContact CG1-CG2 3.82Å; T127-V139 CarbonylContact C-O 3.58Å; T127-V139 WeakPolarHBondContact CA-O 3.45Å; C128-V139 PolarHBondContact N-O 3.12Å; C128-V139 PolarHBondContact O-N 2.98Å; V139-F141 HydrophobicContact CG1-CZ 4.41Å |
| 140 | T | 88.7 | Confident | 81.7 | Confident | 54 Ų | 54 | 60.1 Ų | 60.1 | 33% | 0.331 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 125.6 | -178.7 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | N125 Y126 T127 | N125-T140 HydrophobicContact CB-CG2 3.91Å; Y126-T140 WeakPolarHBondContact O-CA 3.46Å; T127-T140 WeakPolarHBondContact CG2-OG1 3.31Å; T127-T140 PolarHBondContact OG1-OG1 3.45Å |
| 141 | F | 87.9 | Confident | 80.5 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.018 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 144 | 167.7 | -46.5 | -85.6 | 0 | 0 | 0 | 109.5 | V32 N37 I39 L49 W87 N125 Y126 V139 | V32-F141 HydrophobicContact CB-CE1 4.3Å; V32-F141 HydrophobicContact CG1-CD1 4.22Å; V32-F141 HydrophobicContact CG1-CE1 3.98Å; N37-F141 WeakPolarHBondContact O-CA 3.39Å; I39-F141 HydrophobicContact CD1-CB 4.05Å; I39-F141 HydrophobicContact CD1-CD1 4.15Å; I39-F141 HydrophobicContact CD1-CG 4.37Å; L49-F141 HydrophobicContact CB-CE2 4.48Å; L49-F141 HydrophobicContact CD1-CD2 4.08Å; L49-F141 HydrophobicContact CD1-CG 4.48Å; L49-F141 HydrophobicContact CD2-CG 4.35Å; W87-F141 HydrophobicContact CH2-CD2 4.46Å; W87-F141 AromaticContact CH2-CE2 3.78Å; W87-F141 HydrophobicContact CH2-CE2 3.78Å; W87-F141 HydrophobicContact CZ3-CD2 4.06Å; W87-F141 AromaticContact CZ3-CE2 3.8Å; W87-F141 HydrophobicContact CZ3-CE2 3.8Å; N125-F141 WeakPolarHBondContact CA-O 3.49Å; Y126-F141 PolarHBondContact N-O 2.76Å; Y126-F141 WeakPolarHBondContact O-CD2 3.2Å; Y126-F141 PolarHBondContact O-N 2.88Å; V139-F141 HydrophobicContact CG1-CZ 4.41Å |
| 142 | E | 87.1 | Confident | 79.7 | Confident | 66 Ų | 66 | 66 Ų | 66 | 31% | 0.308 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 101.9 | 178.9 | -171.4 | -167.1 | 153.6 | 0 | 0 | 108.1 | N37 Q38 I39 H144 | N37-E142 PolarHBondContact O-N 2.81Å; Q38-E142 WeakPolarHBondContact CA-O 3.47Å; Q38-E142 HydrophobicContact CG-CB 4.23Å; Q38-E142 WeakPolarHBondContact CG-OE2 3.17Å; Q38-E142 PolarHBondContact NE2-OE1 2.92Å; Q38-E142 VanDerWaalsContact NE2-OE1 3.11Å; Q38-E142 PolarHBondContact NE2-OE2 3.21Å; I39-E142 PolarHBondContact N-O 2.98Å; E142-H144 IonicContact OE1-CD2 3.85Å; E142-H144 IonicContact OE1-CE1 2.66Å; E142-H144 IonicContact OE1-NE2 3.14Å; E142-H144 PolarHBondContact OE1-NE2 2.91Å |
| 143 | V | 87.2 | Confident | 79.4 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.006 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 129 | -172.2 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | I39 L47 L49 S123 G124 Y126 V145 | I39-V143 HydrophobicContact CB-CG2 4.41Å; I39-V143 HydrophobicContact CD1-CG2 4.4Å; I39-V143 CarbonylContact O-C 3.55Å; I39-V143 WeakPolarHBondContact O-CA 2.74Å; L47-V143 HydrophobicContact CD1-CG1 4.27Å; L47-V143 HydrophobicContact CD1-CG2 4.31Å; L47-V143 HydrophobicContact CD2-CG1 3.92Å; L49-V143 HydrophobicContact CD1-CG2 4.49Å; S123-V143 CarbonylContact C-O 3.6Å; S123-V143 VanDerWaalsContact CA-O 3.25Å; S123-V143 WeakPolarHBondContact CA-O 3.18Å; G124-V143 PolarHBondContact N-O 3.23Å; G124-V143 PolarHBondContact O-N 3.44Å; Y126-V143 HydrophobicContact CD2-CB 3.96Å; Y126-V143 HydrophobicContact CD2-CG2 3.52Å; Y126-V143 HydrophobicContact CE2-CB 3.91Å; Y126-V143 HydrophobicContact CE2-CG2 3.87Å; Y126-V143 HydrophobicContact CG-CG2 4.2Å; V143-V145 HydrophobicContact CG1-CG2 4.04Å |
| 144 | H | 83.8 | Confident | 79.6 | Confident | 59 Ų | 59 | 67.4 Ų | 67.4 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 107.1 | 179.7 | -72.3 | -88.8 | 0 | 0 | 0 | 110 | I39 R40 L41 E142 | I39-H144 PolarHBondContact O-N 2.74Å; R40-H144 WeakPolarHBondContact CA-O 3.42Å; R40-H144 HydrophobicContact CG-CB 4.11Å; L41-H144 PolarHBondContact N-O 2.82Å; E142-H144 IonicContact OE1-CD2 3.85Å; E142-H144 IonicContact OE1-CE1 2.66Å; E142-H144 IonicContact OE1-NE2 3.14Å; E142-H144 PolarHBondContact OE1-NE2 2.91Å |
| 145 | V | 83.7 | Confident | 79.7 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.024 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 128.6 | 178.4 | -170.8 | 0 | 0 | 0 | 0 | 109.7 | L41 V43 L118 Q119 D122 S123 V143 | L41-V145 WeakPolarHBondContact O-CA 3.37Å; V43-V145 HydrophobicContact CG2-CG1 4.17Å; L118-V145 HydrophobicContact CD1-CG2 4.29Å; L118-V145 HydrophobicContact CD2-CB 4.5Å; L118-V145 HydrophobicContact CD2-CG1 3.94Å; L118-V145 HydrophobicContact CD2-CG2 3.7Å; L118-V145 HydrophobicContact CG-CG1 3.95Å; L118-V145 HydrophobicContact CG-CG2 3.89Å; Q119-V145 WeakPolarHBondContact O-CB 3.3Å; Q119-V145 WeakPolarHBondContact O-CG1 3.3Å; D122-V145 HydrophobicContact CB-CG2 4.41Å; S123-V145 PolarHBondContact OG-N 2.89Å; S123-V145 PolarHBondContact OG-O 3.26Å; V143-V145 HydrophobicContact CG1-CG2 4.04Å |
| 146 | R | 73.5 | Confident | 79.7 | Confident | 60 Ų | 60 | 62.3 Ų | 62.3 | 23% | 0.226 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 140.7 | 176.1 | -64 | -149.4 | -143.8 | 141.1 | 11 | 113.9 | L41 Q42 V43 P148 E197 | L41-R146 PolarHBondContact O-N 2.98Å; Q42-R146 CarbonylContact C-O 3.08Å; Q42-R146 VanDerWaalsContact CA-O 3.23Å; Q42-R146 WeakPolarHBondContact CA-O 3.34Å; V43-R146 PolarHBondContact N-O 2.92Å; R146-P148 WeakPolarHBondContact O-CD 3.32Å; R146-E197 IonicContact CZ-OE2 2.77Å; R146-E197 IonicContact NH1-OE2 2.78Å; R146-E197 PolarHBondContact NH1-OE2 3.05Å |
| 147 | D | 75.2 | Confident | 79.3 | Confident | 55 Ų | 55 | 60.1 Ų | 60.1 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | trans | -79.3 | 116.3 | 164.6 | 176.6 | 11.9 | 0 | 0 | 0 | 109.9 | V43 V120 N149 V150 | V43-D147 HydrophobicContact CB-CB 4.48Å; V43-D147 HydrophobicContact CG2-CB 3.87Å; V120-D147 HydrophobicContact CG2-CB 3.8Å; D147-N149 PolarHBondContact O-N 3.03Å; D147-N149 VanDerWaalsContact OD1-CB 3.28Å; D147-N149 WeakPolarHBondContact OD1-CB 3.39Å; D147-N149 PolarHBondContact OD1-N 2.85Å; D147-N149 PolarHBondContact OD1-ND2 2.79Å; D147-V150 HydrophobicContact CB-CG2 3.79Å; D147-V150 PolarHBondContact O-N 2.77Å | ||
| 148 | P | 69.5 | Low | 78.7 | Confident | 80 Ų | 80 | 62.7 Ų | 62.7 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -13.1 | 178.1 | 30.7 | -35.9 | 0 | 0 | 0 | 113.5 | R146 V150 | R146-P148 WeakPolarHBondContact O-CD 3.32Å; P148-V150 VanDerWaalsContact C-N 3.28Å; P148-V150 PolarHBondContact O-N 2.8Å |
| 149 | N | 65.3 | Low | 77.9 | Confident | 130 Ų | 130 | 61.4 Ų | 61.4 | 70% | 0.695 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -6.4 | 179.4 | -54.2 | -80.5 | 0 | 0 | 0 | 113 | D147 N151 | D147-N149 PolarHBondContact O-N 3.03Å; D147-N149 VanDerWaalsContact OD1-CB 3.28Å; D147-N149 WeakPolarHBondContact OD1-CB 3.39Å; D147-N149 PolarHBondContact OD1-N 2.85Å; D147-N149 PolarHBondContact OD1-ND2 2.79Å; N149-N151 PolarHBondContact O-N 2.8Å |
| 150 | V | 64.5 | Low | 77 | Confident | 47 Ų | 47 | 69.3 Ų | 69.3 | 29% | 0.285 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -72.1 | 114.3 | 178 | 176.6 | 0 | 0 | 0 | 0 | 109.8 | D147 P148 L152 T172 | D147-V150 HydrophobicContact CB-CG2 3.79Å; D147-V150 PolarHBondContact O-N 2.77Å; P148-V150 VanDerWaalsContact C-N 3.28Å; P148-V150 PolarHBondContact O-N 2.8Å; V150-L152 VanDerWaalsContact C-N 3.34Å; V150-L152 HydrophobicContact CB-CD2 4.35Å; V150-L152 HydrophobicContact CG1-CD2 3.71Å; V150-L152 PolarHBondContact O-N 2.91Å; V150-T172 HydrophobicContact CG1-CG2 3.47Å; V150-T172 VanDerWaalsContact CG1-CG2 3.47Å |
| 151 | N | 64.6 | Low | 75.6 | Confident | 128 Ų | 128 | 74 Ų | 74 | 68% | 0.684 | 40% | 0.399 | S | S | * | . | trans | -62.7 | 92.6 | 168.3 | -72 | -23.3 | 0 | 0 | 0 | 110.3 | N149 K175 | N149-N151 PolarHBondContact O-N 2.8Å; N151-K175 WeakPolarHBondContact O-CD 3.24Å; N151-K175 WeakPolarHBondContact O-CE 3.35Å; N151-K175 PolarHBondContact O-NZ 2.82Å | ||
| 152 | L | 70.6 | Confident | 74.7 | Confident | 46 Ų | 46 | 77.3 Ų | 77.3 | 24% | 0.241 | 42% | 0.419 | C | S | . | . | trans | -73.9 | 160.2 | 174.2 | -58.4 | -179.6 | 0 | 0 | 0 | 111.3 | V150 C154 C168 F169 | V150-L152 VanDerWaalsContact C-N 3.34Å; V150-L152 HydrophobicContact CB-CD2 4.35Å; V150-L152 HydrophobicContact CG1-CD2 3.71Å; V150-L152 PolarHBondContact O-N 2.91Å; L152-C154 PolarHBondContact O-N 3.47Å; L152-C168 HydrophobicContact CB-CB 3.98Å; L152-C168 HydrophobicContact CD1-CB 3.99Å; L152-F169 WeakPolarHBondContact CD2-O 3.46Å | ||
| 153 | L | 77.7 | Confident | 74.3 | Confident | 73 Ų | 73 | 84.9 Ų | 84.9 | 38% | 0.382 | 45% | 0.451 | S | S | . | . | trans | -83.2 | 108.2 | 170.1 | -175.6 | 62.2 | 0 | 0 | 0 | 109 | C168 F169 L251 | L153-C168 CarbonylContact O-C 3.42Å; L153-C168 VanDerWaalsContact O-CA 3.27Å; L153-C168 WeakPolarHBondContact O-CA 3.46Å; L153-F169 HydrophobicContact CB-CD2 4.41Å; L153-F169 HydrophobicContact CD2-CD2 4.16Å; L153-F169 HydrophobicContact CG-CD2 4.45Å; L153-F169 PolarHBondContact O-N 3.19Å; L153-L251 HydrophobicContact CG-CD2 4.38Å; L153-L251 WeakPolarHBondContact O-CD1 3.35Å | ||
| 154 | C | 82.4 | Confident | 74 | Confident | 60 Ų | 60 | 86.1 Ų | 86.1 | 41% | 0.405 | 46% | 0.461 | S | S | . | . | B | Isolated β-bridge | trans | -106.9 | 150.5 | -177.8 | -62.1 | 0 | 0 | 0 | 0 | 112.4 | L152 P167 C168 | L152-C154 PolarHBondContact O-N 3.47Å; C154-P167 WeakPolarHBondContact CA-O 3.39Å; C154-C168 HydrophobicContact CB-CB 4.02Å; C154-C168 WeakPolarHBondContact CB-SG 3.39Å; C154-C168 WeakPolarHBondContact SG-CB 3.45Å; C154-C168 CovalentContact SG-SG 2.04Å; C154-C168 PolarHBondContact SG-SG 3.11Å |
| 155 | A | 83 | Confident | 74.1 | Confident | 7 Ų | 7 | 87.7 Ų | 87.7 | 6% | 0.058 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 147.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A166 P167 S250 L251 | A155-A166 HydrophobicContact CB-CB 4.33Å; A155-P167 HydrophobicContact CB-CG 3.9Å; A155-P167 PolarHBondContact N-O 3Å; A155-S250 WeakPolarHBondContact CB-O 3.22Å; A155-L251 HydrophobicContact CB-CD2 4.39Å; A155-L251 HydrophobicContact CB-CG 3.96Å |
| 156 | V | 80.5 | Confident | 74.2 | Confident | 118 Ų | 118 | 88.2 Ų | 88.2 | 72% | 0.715 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 128.9 | 161.6 | -177.1 | 0 | 0 | 0 | 0 | 108 | N158 | V156-N158 PolarHBondContact O-N 3.16Š|
| 157 | P | 77.9 | Confident | 74.9 | Confident | 70 Ų | 70 | 85.4 Ų | 85.4 | 46% | 0.455 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 121.5 | 177.5 | 29.1 | -33.3 | 0 | 0 | 0 | 110.6 | I159 V248 | P157-I159 PolarHBondContact O-N 2.99Å; P157-V248 HydrophobicContact CB-CG1 3.66Å |
| 158 | N | 72.9 | Confident | 75.5 | Confident | 131 Ų | 131 | 83 Ų | 83 | 70% | 0.701 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -77.2 | -8.6 | 173.9 | -65.1 | -28 | 0 | 0 | 0 | 112.8 | V156 V248 | V156-N158 PolarHBondContact O-N 3.16Å; N158-V248 WeakPolarHBondContact CB-O 3.48Å; N158-V248 PolarHBondContact N-O 2.66Å |
| 159 | I | 72.6 | Confident | 76.3 | Confident | 81 Ų | 81 | 79.3 Ų | 79.3 | 42% | 0.415 | 43% | 0.425 | S | S | . | . | trans | -137.8 | 104.6 | -177 | -47.4 | 179.8 | 0 | 0 | 0 | 109.2 | P157 N161 T162 L247 | P157-I159 PolarHBondContact O-N 2.99Å; I159-N161 VanDerWaalsContact C-N 3.29Å; I159-N161 PolarHBondContact O-N 3.27Å; I159-T162 HydrophobicContact CB-CG2 4.49Å; I159-T162 HydrophobicContact CG2-CG2 3.79Å; I159-L247 WeakPolarHBondContact CD1-O 3.22Å | ||
| 160 | E | 67.8 | Low | 77 | Confident | 181 Ų | 181 | 74.8 Ų | 74.8 | 85% | 0.846 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -71.4 | -18.1 | -172.3 | -59.7 | -179.1 | 142.9 | 0 | 0 | 114.4 | ||
| 161 | N | 59.5 | Low | 77.5 | Confident | 154 Ų | 154 | 75.7 Ų | 75.7 | 82% | 0.824 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -122.3 | 62.2 | -171.6 | -86.2 | -62.1 | 0 | 0 | 0 | 113.2 | I159 | I159-N161 VanDerWaalsContact C-N 3.29Å; I159-N161 PolarHBondContact O-N 3.27Å |
| 162 | T | 69 | Low | 77.6 | Confident | 73 Ų | 73 | 73.3 Ų | 73.3 | 45% | 0.448 | 39% | 0.394 | S | S | . | . | trans | -136.6 | 152.9 | 169 | 60.5 | 0 | 0 | 0 | 0 | 112 | I159 A164 | I159-T162 HydrophobicContact CB-CG2 4.49Å; I159-T162 HydrophobicContact CG2-CG2 3.79Å; T162-A164 PolarHBondContact O-N 2.87Å | ||
| 163 | K | 80.2 | Confident | 77.5 | Confident | 225 Ų | 225 | 73.2 Ų | 73.2 | 98% | 0.978 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -73.2 | 19.7 | 171.7 | -71 | -175.2 | 169.8 | -179.1 | 0 | 113.3 | ||
| 164 | A | 80.9 | Confident | 77.3 | Confident | 26 Ų | 26 | 69.8 Ų | 69.8 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | trans | -108.5 | 135.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T162 T199 V248 | T162-A164 PolarHBondContact O-N 2.87Å; A164-T199 VanDerWaalsContact CA-OG1 3.25Å; A164-T199 WeakPolarHBondContact CA-OG1 3.28Å; A164-T199 HydrophobicContact CB-CG2 3.9Å; A164-V248 HydrophobicContact CB-CG2 3.34Å | ||
| 165 | K | 84.5 | Confident | 76.2 | Confident | 92 Ų | 92 | 72.1 Ų | 72.1 | 40% | 0.4 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -83 | 129.2 | 177.8 | -176 | 174.1 | 169.5 | 177.9 | 0 | 109.3 | E197 T199 N246 | K165-E197 IonicContact NZ-OE1 3.95Å; K165-E197 PolarHBondContact NZ-OE1 3.06Å; K165-E197 IonicContact NZ-OE2 2.71Å; K165-E197 PolarHBondContact NZ-OE2 3.29Å; K165-T199 PolarHBondContact N-OG1 3.22Å; K165-T199 PolarHBondContact O-N 3.22Å; K165-N246 PolarHBondContact O-ND2 3.25Å |
| 166 | A | 86 | Confident | 75 | Confident | 16 Ų | 16 | 77 Ų | 77 | 13% | 0.132 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 151.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | A155 C168 V248 | A155-A166 HydrophobicContact CB-CB 4.33Å; A166-C168 PolarHBondContact O-N 3.05Å; A166-V248 HydrophobicContact CB-CB 4.47Å; A166-V248 HydrophobicContact CB-CG1 3.97Å |
| 167 | P | 88.6 | Confident | 73.9 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 133.9 | 177.1 | 29.2 | -32.8 | 0 | 0 | 0 | 109.4 | C154 A155 E197 V244 N246 L251 | C154-P167 WeakPolarHBondContact CA-O 3.39Å; A155-P167 HydrophobicContact CB-CG 3.9Å; A155-P167 PolarHBondContact N-O 3Å; P167-E197 CarbonylContact C-O 3.6Å; P167-E197 WeakPolarHBondContact CA-O 3.48Å; P167-V244 HydrophobicContact CB-CG1 3.76Å; P167-V244 HydrophobicContact CG-CG1 4.44Å; P167-N246 WeakPolarHBondContact CD-OD1 3.32Å; P167-L251 WeakPolarHBondContact O-CD1 3.19Å |
| 168 | C | 87.1 | Confident | 73.4 | Confident | 5 Ų | 5 | 77.7 Ų | 77.7 | 3% | 0.034 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 130.1 | 175.8 | -53.1 | 0 | 0 | 0 | 0 | 109.5 | L152 L153 C154 A166 I170 A196 E197 | L152-C168 HydrophobicContact CB-CB 3.98Å; L152-C168 HydrophobicContact CD1-CB 3.99Å; L153-C168 CarbonylContact O-C 3.42Å; L153-C168 VanDerWaalsContact O-CA 3.27Å; L153-C168 WeakPolarHBondContact O-CA 3.46Å; C154-C168 HydrophobicContact CB-CB 4.02Å; C154-C168 WeakPolarHBondContact CB-SG 3.39Å; C154-C168 WeakPolarHBondContact SG-CB 3.45Å; C154-C168 CovalentContact SG-SG 2.04Å; C154-C168 PolarHBondContact SG-SG 3.11Å; A166-C168 PolarHBondContact O-N 3.05Å; C168-I170 PolarHBondContact O-N 2.85Å; C168-A196 CarbonylContact O-C 3.6Å; C168-A196 WeakPolarHBondContact O-CA 3.01Å; C168-A196 WeakPolarHBondContact O-CB 3.07Å; C168-E197 PolarHBondContact N-O 3.45Å; C168-E197 PolarHBondContact O-N 2.8Å |
| 169 | F | 87.1 | Confident | 73.5 | Confident | 2 Ų | 2 | 74.3 Ų | 74.3 | 1% | 0.009 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 134.4 | 173.8 | -74.3 | -55.5 | 0 | 0 | 0 | 110.7 | L152 L153 L174 C194 A196 V244 L251 Y253 | L152-F169 WeakPolarHBondContact CD2-O 3.46Å; L153-F169 HydrophobicContact CB-CD2 4.41Å; L153-F169 HydrophobicContact CD2-CD2 4.16Å; L153-F169 HydrophobicContact CG-CD2 4.45Å; L153-F169 PolarHBondContact O-N 3.19Å; F169-L174 HydrophobicContact CB-CB 4.36Å; F169-L174 HydrophobicContact CB-CD1 3.97Å; F169-L174 HydrophobicContact CD1-CD1 3.89Å; F169-L174 HydrophobicContact CG-CD1 3.9Å; F169-C194 HydrophobicContact CD1-CB 4.41Å; F169-C194 HydrophobicContact CE1-CB 3.88Å; F169-A196 HydrophobicContact CD1-CB 4.45Å; F169-V244 HydrophobicContact CD1-CG2 4.35Å; F169-V244 HydrophobicContact CE1-CG2 3.5Å; F169-V244 HydrophobicContact CZ-CG2 4.1Å; F169-L251 HydrophobicContact CD2-CB 4.4Å; F169-L251 HydrophobicContact CD2-CD1 3.72Å; F169-L251 HydrophobicContact CE2-CB 3.65Å; F169-L251 HydrophobicContact CE2-CD1 3.83Å; F169-L251 HydrophobicContact CE2-CD2 4.43Å; F169-L251 HydrophobicContact CE2-CG 4.18Å; F169-L251 HydrophobicContact CG-CD1 4.22Å; F169-L251 HydrophobicContact CZ-CB 3.76Å; F169-L251 HydrophobicContact CZ-CD1 4.4Å; F169-Y253 HydrophobicContact CE2-CD2 4.27Å; F169-Y253 HydrophobicContact CE2-CG 4.49Å |
| 170 | I | 79.4 | Confident | 73.9 | Confident | 35 Ų | 35 | 72.9 Ų | 72.9 | 18% | 0.179 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -79.5 | -42 | -176.3 | -62 | 169.2 | 0 | 0 | 0 | 111.1 | C168 T172 E195 E197 | C168-I170 PolarHBondContact O-N 2.85Å; I170-T172 PolarHBondContact O-N 2.74Å; I170-E195 HydrophobicContact CD1-CB 3.92Å; I170-E195 VanDerWaalsContact CD1-CD 3.46Å; I170-E195 HydrophobicContact CD1-CG 3.58Å; I170-E195 WeakPolarHBondContact CG1-O 3.49Å; I170-E195 PolarHBondContact N-O 3.11Å; I170-E197 HydrophobicContact CG1-CB 4.25Å |
| 171 | D | 75.1 | Confident | 74.7 | Confident | 66 Ų | 66 | 68.7 Ų | 68.7 | 35% | 0.353 | 39% | 0.385 | S | S | . | . | trans | -73.5 | 121.6 | -178.1 | -179.7 | 7.9 | 0 | 0 | 0 | 111.2 | A173 L174 | D171-A173 PolarHBondContact O-N 3.04Å; D171-A173 WeakPolarHBondContact OD1-CB 3.49Å; D171-A173 PolarHBondContact OD1-N 3.41Å; D171-L174 HydrophobicContact CB-CD1 4.06Å; D171-L174 HydrophobicContact CB-CG 4Å; D171-L174 WeakPolarHBondContact O-CB 3.39Å; D171-L174 PolarHBondContact O-N 3.27Å | ||
| 172 | T | 67.6 | Low | 76 | Confident | 79 Ų | 79 | 62.9 Ų | 62.9 | 49% | 0.485 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -69.9 | -17 | 179.4 | 63.6 | 0 | 0 | 0 | 0 | 113.5 | V150 I170 L174 K175 | V150-T172 HydrophobicContact CG1-CG2 3.47Å; V150-T172 VanDerWaalsContact CG1-CG2 3.47Å; I170-T172 PolarHBondContact O-N 2.74Å; T172-L174 PolarHBondContact O-N 2.98Å; T172-K175 WeakPolarHBondContact O-CB 3.39Å; T172-K175 PolarHBondContact O-N 2.94Å |
| 173 | A | 68 | Low | 76.9 | Confident | 43 Ų | 43 | 66.3 Ų | 66.3 | 36% | 0.355 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -62.6 | -28.7 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | D171 K175 T176 I180 | D171-A173 PolarHBondContact O-N 3.04Å; D171-A173 WeakPolarHBondContact OD1-CB 3.49Å; D171-A173 PolarHBondContact OD1-N 3.41Å; A173-K175 PolarHBondContact O-N 2.85Å; A173-K175 VanDerWaalsContact O-N 3.11Å; A173-T176 PolarHBondContact O-OG1 3.03Å; A173-I180 HydrophobicContact CB-CD1 4.49Å |
| 174 | L | 72.9 | Confident | 77.1 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -75.5 | 4.8 | -179.6 | -47.6 | -178.9 | 0 | 0 | 0 | 113.3 | F169 D171 T172 I180 Y253 Y255 | F169-L174 HydrophobicContact CB-CB 4.36Å; F169-L174 HydrophobicContact CB-CD1 3.97Å; F169-L174 HydrophobicContact CD1-CD1 3.89Å; F169-L174 HydrophobicContact CG-CD1 3.9Å; D171-L174 HydrophobicContact CB-CD1 4.06Å; D171-L174 HydrophobicContact CB-CG 4Å; D171-L174 WeakPolarHBondContact O-CB 3.39Å; D171-L174 PolarHBondContact O-N 3.27Å; T172-L174 PolarHBondContact O-N 2.98Å; L174-I180 HydrophobicContact CD2-CD1 4.16Å; L174-Y253 HydrophobicContact CB-CD2 3.99Å; L174-Y253 HydrophobicContact CB-CE2 3.76Å; L174-Y253 HydrophobicContact CD2-CD1 3.81Å; L174-Y253 HydrophobicContact CD2-CD2 4.46Å; L174-Y253 HydrophobicContact CD2-CE1 3.52Å; L174-Y253 HydrophobicContact CD2-CE2 4.22Å; L174-Y253 HydrophobicContact CD2-CG 4.28Å; L174-Y253 VanDerWaalsContact O-CE2 3.26Å; L174-Y253 WeakPolarHBondContact O-CE2 3.18Å; L174-Y255 HydrophobicContact CD2-CE1 4.25Å; L174-Y255 VanDerWaalsContact CD2-OH 3.31Å; L174-Y255 WeakPolarHBondContact CD2-OH 3.39Å |
| 175 | K | 60.2 | Low | 76.9 | Confident | 109 Ų | 109 | 62.1 Ų | 62.1 | 47% | 0.474 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -90.2 | -23.1 | -175.5 | -173.7 | 173.1 | 174.9 | 168.9 | 0 | 114.6 | N151 T172 A173 | N151-K175 WeakPolarHBondContact O-CD 3.24Å; N151-K175 WeakPolarHBondContact O-CE 3.35Å; N151-K175 PolarHBondContact O-NZ 2.82Å; T172-K175 WeakPolarHBondContact O-CB 3.39Å; T172-K175 PolarHBondContact O-N 2.94Å; A173-K175 PolarHBondContact O-N 2.85Å; A173-K175 VanDerWaalsContact O-N 3.11Å |
| 176 | T | 57.3 | Low | 76.5 | Confident | 109 Ų | 109 | 60.3 Ų | 60.3 | 67% | 0.669 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -98 | -18.6 | -162.2 | 55.4 | 0 | 0 | 0 | 0 | 115.1 | A173 | A173-T176 PolarHBondContact O-OG1 3.03Š|
| 177 | N | 57.3 | Low | 75.8 | Confident | 104 Ų | 104 | 61.7 Ų | 61.7 | 56% | 0.556 | 35% | 0.352 | S | S | * | . | trans | -156.4 | 154.4 | 172.5 | -98.5 | -57.9 | 0 | 0 | 0 | 109.5 | S179 Y253 | N177-S179 WeakPolarHBondContact CB-O 3.36Å; N177-S179 PolarHBondContact O-N 3.4Å; N177-S179 VanDerWaalsContact O-N 3.15Å; N177-Y253 WeakPolarHBondContact O-CE2 3.34Å; N177-Y253 VanDerWaalsContact O-CZ 3.31Å; N177-Y253 PolarHBondContact O-OH 2.84Å | ||
| 178 | P | 67.4 | Low | 75.6 | Confident | 99 Ų | 99 | 63.4 Ų | 63.4 | 64% | 0.643 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -68 | -6 | 171.5 | 30.5 | -35.9 | 0 | 0 | 0 | 113.4 | T254 | P178-T254 PolarHBondContact O-N 3.26Š|
| 179 | S | 74.8 | Confident | 75.5 | Confident | 60 Ų | 60 | 66 Ų | 66 | 42% | 0.42 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 144.1 | 172.9 | 61.9 | 0 | 0 | 0 | 0 | 115.2 | N177 T254 | N177-S179 WeakPolarHBondContact CB-O 3.36Å; N177-S179 PolarHBondContact O-N 3.4Å; N177-S179 VanDerWaalsContact O-N 3.15Å; S179-T254 WeakPolarHBondContact CA-O 3.3Å; S179-T254 WeakPolarHBondContact CB-O 3.45Å |
| 180 | I | 82 | Confident | 75.5 | Confident | 51 Ų | 51 | 66 Ų | 66 | 26% | 0.262 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133.5 | 170 | -70.5 | 157.4 | 0 | 0 | 0 | 109.4 | A173 L174 L182 Y253 T254 Y255 R256 | A173-I180 HydrophobicContact CB-CD1 4.49Å; L174-I180 HydrophobicContact CD2-CD1 4.16Å; I180-L182 HydrophobicContact CG2-CD1 3.78Å; I180-Y253 HydrophobicContact CD1-CE1 4.09Å; I180-Y253 VanDerWaalsContact CD1-OH 3.31Å; I180-Y253 WeakPolarHBondContact CD1-OH 3.4Å; I180-Y253 HydrophobicContact CG1-CE1 4.39Å; I180-Y253 VanDerWaalsContact CG1-OH 3.3Å; I180-Y253 WeakPolarHBondContact CG1-OH 3.46Å; I180-T254 PolarHBondContact N-O 3.08Å; I180-Y255 HydrophobicContact CB-CD1 4.23Å; I180-Y255 HydrophobicContact CD1-CE1 4.47Å; I180-Y255 CarbonylContact O-C 3.54Å; I180-Y255 WeakPolarHBondContact O-CA 3.17Å; I180-R256 PolarHBondContact O-N 2.98Å |
| 181 | S | 84.6 | Confident | 75.9 | Confident | 93 Ų | 93 | 68 Ų | 68 | 65% | 0.65 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 130.4 | 170.2 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | R256 | S181-R256 CarbonylContact C-O 3.55Å; S181-R256 WeakPolarHBondContact CA-O 3.39Å |
| 182 | L | 87 | Confident | 76.4 | Confident | 32 Ų | 32 | 65 Ų | 65 | 17% | 0.168 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 132.9 | 172.4 | -71.5 | 87.5 | 0 | 0 | 0 | 109.7 | I180 V190 F192 Y255 R256 L257 L258 | I180-L182 HydrophobicContact CG2-CD1 3.78Å; L182-V190 HydrophobicContact CD2-CG2 3.95Å; L182-F192 HydrophobicContact CD1-CD1 4.48Å; L182-F192 HydrophobicContact CD1-CE1 4.24Å; L182-F192 HydrophobicContact CD2-CE1 4.42Å; L182-Y255 HydrophobicContact CD1-CD1 3.74Å; L182-Y255 HydrophobicContact CD1-CG 4.42Å; L182-R256 PolarHBondContact N-O 2.82Å; L182-L257 HydrophobicContact CB-CD1 4.31Å; L182-L258 PolarHBondContact O-N 3.47Å |
| 183 | E | 86.6 | Confident | 77.3 | Confident | 145 Ų | 145 | 63.9 Ų | 63.9 | 68% | 0.678 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 134.8 | 170 | -56.6 | -165.1 | 165 | 0 | 0 | 110.2 | L258 | E183-L258 WeakPolarHBondContact CA-O 3.14Å; E183-L258 HydrophobicContact CG-CB 4.35Å; E183-L258 HydrophobicContact CG-CD2 4.32Å |
| 184 | R | 85.8 | Confident | 78.2 | Confident | 97 Ų | 97 | 61.9 Ų | 61.9 | 37% | 0.366 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 147.8 | -177.3 | -69.3 | -71.3 | 172.9 | 162.8 | -9.3 | 111 | S189 V190 L257 L258 V259 S260 | R184-S189 PolarHBondContact NH1-O 2.98Å; R184-V190 HydrophobicContact CG-CB 3.97Å; R184-V190 HydrophobicContact CG-CG2 3.96Å; R184-L257 HydrophobicContact CB-CD1 4.09Å; R184-L257 HydrophobicContact CG-CD1 3.8Å; R184-L258 PolarHBondContact N-O 2.95Å; R184-V259 CarbonylContact O-C 3.59Å; R184-V259 WeakPolarHBondContact O-CA 3.45Å; R184-S260 PolarHBondContact O-N 2.84Å; R184-S260 PolarHBondContact O-OG 3.25Å |
| 185 | L | 76 | Confident | 78.9 | Confident | 65 Ų | 65 | 63.6 Ų | 63.6 | 34% | 0.34 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 149.2 | 176.6 | -70.7 | 98.1 | 0 | 0 | 0 | 111.7 | G187 S188 S260 P262 | L185-G187 PolarHBondContact O-N 3.31Å; L185-S188 PolarHBondContact N-OG 2.81Å; L185-S188 WeakPolarHBondContact O-CB 3.4Å; L185-S188 PolarHBondContact O-N 2.87Å; L185-S188 PolarHBondContact O-OG 3.04Å; L185-S260 CarbonylContact C-O 3.58Å; L185-S260 VanDerWaalsContact CA-O 3.25Å; L185-S260 WeakPolarHBondContact CA-O 3.46Å; L185-P262 HydrophobicContact CD2-CB 3.94Å |
| 186 | I | 75.9 | Confident | 80.1 | Confident | 55 Ų | 55 | 58.6 Ų | 58.6 | 28% | 0.282 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 132 | 166.1 | -63.5 | 176 | 0 | 0 | 0 | 109.5 | S188 V232 R234 V259 S260 E261 | I186-S188 VanDerWaalsContact C-N 3.28Å; I186-S188 PolarHBondContact O-N 2.88Å; I186-V232 CarbonylContact C-O 3.58Å; I186-V232 WeakPolarHBondContact CA-O 3.46Å; I186-R234 HydrophobicContact CD1-CG 3.44Å; I186-R234 VanDerWaalsContact CD1-CG 3.44Å; I186-R234 HydrophobicContact CG1-CG 4.15Å; I186-V259 HydrophobicContact CG1-CG1 3.62Å; I186-S260 PolarHBondContact N-O 2.79Å; I186-E261 HydrophobicContact CD1-CB 3.62Å; I186-E261 HydrophobicContact CD1-CG 3.68Å; I186-E261 HydrophobicContact CG1-CB 4.44Å |
| 187 | G | 72.5 | Confident | 81.4 | Confident | 45 Ų | 45 | 56.4 Ų | 56.4 | 46% | 0.464 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -8.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L185 V232 | L185-G187 PolarHBondContact O-N 3.31Å; G187-V232 PolarHBondContact N-O 2.79Å |
| 188 | S | 82.9 | Confident | 82.7 | Confident | 36 Ų | 36 | 52.2 Ų | 52.2 | 25% | 0.252 | 31% | 0.305 | S | S | . | . | trans | -80.4 | 168.3 | 169.3 | 72.5 | 0 | 0 | 0 | 0 | 111.7 | L185 I186 V232 | L185-S188 PolarHBondContact N-OG 2.81Å; L185-S188 WeakPolarHBondContact O-CB 3.4Å; L185-S188 PolarHBondContact O-N 2.87Å; L185-S188 PolarHBondContact O-OG 3.04Å; I186-S188 VanDerWaalsContact C-N 3.28Å; I186-S188 PolarHBondContact O-N 2.88Å; S188-V232 VanDerWaalsContact O-CB 3.28Å; S188-V232 WeakPolarHBondContact O-CB 3.46Å; S188-V232 VanDerWaalsContact O-CG2 3.22Å; S188-V232 WeakPolarHBondContact O-CG2 3.37Å; S188-V232 PolarHBondContact O-N 2.81Å | ||
| 189 | S | 84.4 | Confident | 83.6 | Confident | 60 Ų | 60 | 49.8 Ų | 49.8 | 42% | 0.42 | 29% | 0.289 | S | S | . | . | trans | -98.9 | 157.8 | 173.1 | 60.4 | 0 | 0 | 0 | 0 | 112.6 | R184 I229 D230 | R184-S189 PolarHBondContact NH1-O 2.98Å; S189-I229 CarbonylContact C-O 3.49Å; S189-I229 VanDerWaalsContact CA-O 3.23Å; S189-I229 WeakPolarHBondContact CA-O 3.47Å; S189-D230 WeakPolarHBondContact CB-O 3.3Å | ||
| 190 | V | 87.1 | Confident | 84.1 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 145.7 | 171.4 | 68.4 | 0 | 0 | 0 | 0 | 111.6 | L182 R184 F192 T228 I229 V232 L257 | L182-V190 HydrophobicContact CD2-CG2 3.95Å; R184-V190 HydrophobicContact CG-CB 3.97Å; R184-V190 HydrophobicContact CG-CG2 3.96Å; V190-F192 HydrophobicContact CG1-CE2 4.11Å; V190-F192 HydrophobicContact CG1-CZ 4.08Å; V190-F192 HydrophobicContact CG2-CE1 4.17Å; V190-F192 HydrophobicContact CG2-CZ 4.12Å; V190-T228 WeakPolarHBondContact O-CA 3.49Å; V190-I229 HydrophobicContact CG1-CB 3.98Å; V190-I229 HydrophobicContact CG1-CD1 4.17Å; V190-I229 HydrophobicContact CG1-CG1 4.39Å; V190-I229 PolarHBondContact N-O 2.84Å; V190-I229 PolarHBondContact O-N 3.42Å; V190-V232 HydrophobicContact CB-CG2 4.2Å; V190-V232 HydrophobicContact CG1-CG2 3.62Å; V190-L257 HydrophobicContact CG1-CD1 4.35Å; V190-L257 HydrophobicContact CG1-CD2 4.01Å; V190-L257 HydrophobicContact CG2-CD1 4.3Å |
| 191 | T | 87.8 | Confident | 84.3 | Confident | 77 Ų | 77 | 53.9 Ų | 53.9 | 47% | 0.472 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 132.7 | 178.3 | -49.4 | 0 | 0 | 0 | 0 | 109 | I226 L227 | T191-I226 HydrophobicContact CG2-CG2 3.48Å; T191-I226 VanDerWaalsContact CG2-CG2 3.48Å; T191-L227 CarbonylContact C-O 3.56Å; T191-L227 WeakPolarHBondContact CA-O 3.15Å |
| 192 | F | 87.2 | Confident | 84.4 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 145.3 | 171.3 | -48.5 | -77.7 | 0 | 0 | 0 | 108.9 | L182 V190 W206 I226 L227 I229 Y240 Y255 L257 | L182-F192 HydrophobicContact CD1-CD1 4.48Å; L182-F192 HydrophobicContact CD1-CE1 4.24Å; L182-F192 HydrophobicContact CD2-CE1 4.42Å; V190-F192 HydrophobicContact CG1-CE2 4.11Å; V190-F192 HydrophobicContact CG1-CZ 4.08Å; V190-F192 HydrophobicContact CG2-CE1 4.17Å; V190-F192 HydrophobicContact CG2-CZ 4.12Å; F192-W206 HydrophobicContact CB-CH2 3.57Å; F192-W206 HydrophobicContact CB-CZ3 3.88Å; F192-W206 HydrophobicContact CG-CZ3 4.5Å; F192-I226 CarbonylContact O-C 3.58Å; F192-I226 WeakPolarHBondContact O-CA 3.39Å; F192-L227 HydrophobicContact CB-CB 4.35Å; F192-L227 HydrophobicContact CD2-CB 4.17Å; F192-L227 HydrophobicContact CD2-CD2 3.94Å; F192-L227 HydrophobicContact CD2-CG 4.19Å; F192-L227 HydrophobicContact CE2-CD2 4.43Å; F192-L227 PolarHBondContact N-O 3.08Å; F192-L227 PolarHBondContact O-N 2.97Å; F192-I229 HydrophobicContact CE2-CD1 4.22Å; F192-Y240 HydrophobicContact CE2-CD2 4.04Å; F192-Y240 HydrophobicContact CE2-CE2 4.41Å; F192-Y240 HydrophobicContact CE2-CG 4.2Å; F192-Y240 AromaticContact CZ-CD2 3.82Å; F192-Y240 HydrophobicContact CZ-CD2 3.82Å; F192-Y240 HydrophobicContact CZ-CE2 4.29Å; F192-Y240 HydrophobicContact CZ-CG 4.33Å; F192-Y255 HydrophobicContact CB-CD2 3.89Å; F192-Y255 HydrophobicContact CB-CE2 3.79Å; F192-Y255 HydrophobicContact CB-CG 4.44Å; F192-Y255 AromaticContact CD1-CD1 3.87Å; F192-Y255 HydrophobicContact CD1-CD1 3.87Å; F192-Y255 AromaticContact CD1-CD2 3.68Å; F192-Y255 HydrophobicContact CD1-CD2 3.68Å; F192-Y255 HydrophobicContact CD1-CE1 4.46Å; F192-Y255 HydrophobicContact CD1-CE2 4.3Å; F192-Y255 AromaticContact CD1-CG 3.42Å; F192-Y255 HydrophobicContact CD1-CG 3.42Å; F192-Y255 VanDerWaalsContact CD1-CG 3.42Å; F192-Y255 HydrophobicContact CE1-CD2 4.5Å; F192-Y255 AromaticContact CE1-CG 3.98Å; F192-Y255 HydrophobicContact CE1-CG 3.98Å; F192-Y255 HydrophobicContact CG-CD2 4Å; F192-Y255 HydrophobicContact CG-CE2 4.4Å; F192-Y255 HydrophobicContact CG-CG 4.22Å; F192-L257 HydrophobicContact CZ-CB 4.19Å; F192-L257 HydrophobicContact CZ-CD1 4.47Å; F192-L257 HydrophobicContact CZ-CD2 4.2Å |
| 193 | N | 86.7 | Confident | 84.5 | Confident | 57 Ų | 57 | 55.2 Ų | 55.2 | 31% | 0.305 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 119.6 | -179.4 | -178.1 | 17.3 | 0 | 0 | 0 | 111.4 | E195 I226 Y255 | N193-E195 WeakPolarHBondContact OD1-CB 3.5Å; N193-E195 PolarHBondContact OD1-N 2.04Å; N193-I226 HydrophobicContact CB-CG1 4.34Å; N193-Y255 PolarHBondContact O-OH 2.87Å |
| 194 | C | 86.7 | Confident | 84.5 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -126.8 | 31.9 | 177.9 | -85.3 | 0 | 0 | 0 | 0 | 111.6 | F169 A196 Y204 W206 P225 C242 Y255 | F169-C194 HydrophobicContact CD1-CB 4.41Å; F169-C194 HydrophobicContact CE1-CB 3.88Å; C194-A196 PolarHBondContact O-N 2.95Å; C194-Y204 WeakPolarHBondContact O-CE1 3.37Å; C194-W206 HydrophobicContact CB-CH2 4.12Å; C194-W206 HydrophobicContact CB-CZ2 4.12Å; C194-P225 PolarHBondContact N-O 3.27Å; C194-C242 HydrophobicContact CB-CB 3.51Å; C194-C242 WeakPolarHBondContact CB-SG 3.26Å; C194-C242 VanDerWaalsContact SG-CB 3.52Å; C194-Y255 PolarHBondContact SG-OH 3.31Å | ||
| 195 | E | 86.2 | Confident | 84.6 | Confident | 38 Ų | 38 | 51.1 Ų | 51.1 | 18% | 0.178 | 28% | 0.279 | C | S | . | . | trans | -53.5 | 135.7 | 173.5 | -158 | -163.3 | 161.2 | 0 | 0 | 111.3 | R40 I170 N193 P225 | R40-E195 IonicContact CZ-OE1 2.63Å; R40-E195 IonicContact NH2-OE1 2.72Å; R40-E195 PolarHBondContact NH2-OE1 3.31Å; I170-E195 HydrophobicContact CD1-CB 3.92Å; I170-E195 VanDerWaalsContact CD1-CD 3.46Å; I170-E195 HydrophobicContact CD1-CG 3.58Å; I170-E195 WeakPolarHBondContact CG1-O 3.49Å; I170-E195 PolarHBondContact N-O 3.11Å; N193-E195 WeakPolarHBondContact OD1-CB 3.5Å; N193-E195 PolarHBondContact OD1-N 2.04Å; E195-P225 HydrophobicContact CB-CB 3.73Å; E195-P225 HydrophobicContact CB-CG 4.44Å; E195-P225 HydrophobicContact CG-CB 3.85Å; E195-P225 HydrophobicContact CG-CG 4.18Å | ||
| 196 | A | 86.4 | Confident | 85.2 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 153.5 | -174 | 0 | 0 | 0 | 0 | 0 | 111.4 | C168 F169 C194 I202 Y204 V244 | C168-A196 CarbonylContact O-C 3.6Å; C168-A196 WeakPolarHBondContact O-CA 3.01Å; C168-A196 WeakPolarHBondContact O-CB 3.07Å; F169-A196 HydrophobicContact CD1-CB 4.45Å; C194-A196 PolarHBondContact O-N 2.95Å; A196-I202 WeakPolarHBondContact O-CD1 3.36Å; A196-Y204 HydrophobicContact CB-CE1 4.25Å; A196-Y204 PolarHBondContact N-OH 3.48Å; A196-Y204 PolarHBondContact O-OH 3.2Å; A196-V244 HydrophobicContact CB-CB 4.4Å; A196-V244 HydrophobicContact CB-CG1 3.58Å; A196-V244 HydrophobicContact CB-CG2 4.13Å |
| 197 | E | 84.5 | Confident | 85.8 | Confident | 63 Ų | 63 | 47.5 Ų | 47.5 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 138.2 | 177 | -163.9 | -136 | 143.1 | 0 | 0 | 110.5 | R146 K165 P167 C168 I170 | R146-E197 IonicContact CZ-OE2 2.77Å; R146-E197 IonicContact NH1-OE2 2.78Å; R146-E197 PolarHBondContact NH1-OE2 3.05Å; K165-E197 IonicContact NZ-OE1 3.95Å; K165-E197 PolarHBondContact NZ-OE1 3.06Å; K165-E197 IonicContact NZ-OE2 2.71Å; K165-E197 PolarHBondContact NZ-OE2 3.29Å; P167-E197 CarbonylContact C-O 3.6Å; P167-E197 WeakPolarHBondContact CA-O 3.48Å; C168-E197 PolarHBondContact N-O 3.45Å; C168-E197 PolarHBondContact O-N 2.8Å; I170-E197 HydrophobicContact CG1-CB 4.25Å |
| 198 | G | 84.4 | Confident | 86.4 | Confident | 15 Ų | 15 | 47.2 Ų | 47.2 | 16% | 0.155 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -179.7 | -168.2 | 179 | 0 | 0 | 0 | 0 | 0 | 109.2 | E200 | G198-E200 PolarHBondContact O-N 3.07Š|
| 199 | T | 86.7 | Confident | 86.5 | Confident | 49 Ų | 49 | 47.9 Ų | 47.9 | 30% | 0.301 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -73.7 | 123.7 | 170.4 | -67.1 | 0 | 0 | 0 | 0 | 110.4 | A164 K165 N246 | A164-T199 VanDerWaalsContact CA-OG1 3.25Å; A164-T199 WeakPolarHBondContact CA-OG1 3.28Å; A164-T199 HydrophobicContact CB-CG2 3.9Å; K165-T199 PolarHBondContact N-OG1 3.22Å; K165-T199 PolarHBondContact O-N 3.22Å; T199-N246 PolarHBondContact N-ND2 2.77Å; T199-N246 WeakPolarHBondContact O-CB 3.49Å; T199-N246 PolarHBondContact O-ND2 2.79Å |
| 200 | E | 85.2 | Confident | 86.2 | Confident | 121 Ų | 121 | 51 Ų | 51 | 57% | 0.565 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -63.1 | 151.2 | 172.7 | -67 | -66 | 174.1 | 0 | 0 | 112 | G198 I202 | G198-E200 PolarHBondContact O-N 3.07Å; E200-I202 PolarHBondContact OE2-N 3.35Å |
| 201 | P | 86.6 | Confident | 86 | Confident | 76 Ų | 76 | 53.7 Ų | 53.7 | 49% | 0.494 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | cis | -83.4 | 123.7 | 2.6 | 31.7 | -33.7 | 0 | 0 | 0 | 113.2 | ||
| 202 | I | 86.6 | Confident | 85.6 | Confident | 19 Ų | 19 | 53.3 Ų | 53.3 | 10% | 0.097 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -83.5 | 136.9 | 171.6 | -55.9 | 174.9 | 0 | 0 | 0 | 109.1 | A196 E200 Y204 V244 | A196-I202 WeakPolarHBondContact O-CD1 3.36Å; E200-I202 PolarHBondContact OE2-N 3.35Å; I202-Y204 HydrophobicContact CB-CE2 4.4Å; I202-Y204 HydrophobicContact CG2-CE1 4.29Å; I202-Y204 HydrophobicContact CG2-CE2 3.81Å; I202-V244 HydrophobicContact CG2-CG1 3.55Å |
| 203 | K | 87.6 | Confident | 84.9 | Confident | 134 Ų | 134 | 53.3 Ų | 53.3 | 58% | 0.583 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122 | 123.2 | -178.1 | -62.3 | 173.7 | -175 | 172.8 | 0 | 110.5 | V244 S245 | K203-V244 CarbonylContact O-C 3.5Å; K203-V244 WeakPolarHBondContact O-CA 3.28Å; K203-S245 PolarHBondContact N-O 3.02Å; K203-S245 PolarHBondContact O-N 3.03Å; K203-S245 PolarHBondContact O-OG 3.34Å |
| 204 | Y | 88 | Confident | 83.8 | Confident | 27 Ų | 27 | 54.9 Ų | 54.9 | 11% | 0.106 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 141.9 | 175.2 | -54.9 | -89.6 | 0 | 0 | 0 | 110.9 | C194 A196 I202 G224 P225 Q243 V244 | C194-Y204 WeakPolarHBondContact O-CE1 3.37Å; A196-Y204 HydrophobicContact CB-CE1 4.25Å; A196-Y204 PolarHBondContact N-OH 3.48Å; A196-Y204 PolarHBondContact O-OH 3.2Å; I202-Y204 HydrophobicContact CB-CE2 4.4Å; I202-Y204 HydrophobicContact CG2-CE1 4.29Å; I202-Y204 HydrophobicContact CG2-CE2 3.81Å; Y204-G224 WeakPolarHBondContact CB-O 3.28Å; Y204-P225 HydrophobicContact CD1-CB 4.08Å; Y204-P225 HydrophobicContact CD2-CB 4.42Å; Y204-P225 HydrophobicContact CE1-CB 3.75Å; Y204-P225 HydrophobicContact CE2-CB 4.12Å; Y204-P225 HydrophobicContact CG-CB 4.42Å; Y204-Q243 CarbonylContact C-O 3.48Å; Y204-Q243 WeakPolarHBondContact CA-O 3.25Å; Y204-V244 HydrophobicContact CD1-CG1 4.49Å; Y204-V244 HydrophobicContact CD1-CG2 3.78Å; Y204-V244 HydrophobicContact CE1-CG1 4.12Å; Y204-V244 HydrophobicContact CE1-CG2 3.79Å |
| 205 | R | 87 | Confident | 82.7 | Confident | 129 Ų | 129 | 61.5 Ų | 61.5 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 143 | 168.6 | -66.7 | -165.8 | -74.7 | -165.1 | -4.8 | 109.3 | F207 C242 Q243 | R205-F207 HydrophobicContact CB-CE2 3.91Å; R205-F207 HydrophobicContact CB-CZ 4.35Å; R205-C242 CarbonylContact O-C 3.43Å; R205-C242 WeakPolarHBondContact O-CA 3.27Å; R205-Q243 HydrophobicContact CB-CB 4.45Å; R205-Q243 VanDerWaalsContact CZ-OE1 3.3Å; R205-Q243 PolarHBondContact N-O 2.65Å; R205-Q243 PolarHBondContact O-N 3.43Å |
| 206 | W | 88.9 | Confident | 81.4 | Confident | 1 Ų | 1 | 60 Ų | 60 | 0% | 0.004 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 139.6 | 175.2 | -70.6 | 93 | 0 | 0 | 0 | 110.6 | F192 C194 V212 A213 G224 P225 L227 T241 C242 Y255 | F192-W206 HydrophobicContact CB-CH2 3.57Å; F192-W206 HydrophobicContact CB-CZ3 3.88Å; F192-W206 HydrophobicContact CG-CZ3 4.5Å; C194-W206 HydrophobicContact CB-CH2 4.12Å; C194-W206 HydrophobicContact CB-CZ2 4.12Å; W206-V212 VanDerWaalsContact O-CG1 3.32Å; W206-V212 WeakPolarHBondContact O-CG1 3.44Å; W206-A213 HydrophobicContact CB-CB 3.98Å; W206-A213 PolarHBondContact O-N 2.7Å; W206-G224 PolarHBondContact NE1-O 3.3Å; W206-P225 WeakPolarHBondContact CZ2-O 3.34Å; W206-L227 HydrophobicContact CB-CD2 4.21Å; W206-L227 HydrophobicContact CD2-CB 3.79Å; W206-L227 HydrophobicContact CD2-CD2 3.69Å; W206-L227 HydrophobicContact CD2-CG 4.21Å; W206-L227 HydrophobicContact CE3-CB 4.09Å; W206-L227 HydrophobicContact CE3-CD2 3.51Å; W206-L227 HydrophobicContact CE3-CG 4.39Å; W206-L227 HydrophobicContact CG-CB 4.32Å; W206-L227 HydrophobicContact CG-CD1 4.26Å; W206-L227 HydrophobicContact CG-CD2 4.01Å; W206-L227 HydrophobicContact CG-CG 4.44Å; W206-L227 HydrophobicContact CH2-CB 4.01Å; W206-L227 HydrophobicContact CZ2-CB 3.72Å; W206-L227 HydrophobicContact CZ3-CB 4.18Å; W206-L227 HydrophobicContact CZ3-CD2 4.06Å; W206-T241 CarbonylContact C-O 3.58Å; W206-T241 WeakPolarHBondContact CA-O 3.25Å; W206-C242 HydrophobicContact CD2-CB 3.96Å; W206-C242 VanDerWaalsContact CE2-SG 3.59Å; W206-C242 HydrophobicContact CE3-CB 3.73Å; W206-C242 HydrophobicContact CH2-CB 3.68Å; W206-C242 HydrophobicContact CZ2-CB 3.87Å; W206-C242 HydrophobicContact CZ3-CB 3.61Å; W206-Y255 HydrophobicContact CH2-CD2 4.41Å; W206-Y255 AromaticContact CH2-CE2 3.89Å; W206-Y255 HydrophobicContact CH2-CE2 3.89Å; W206-Y255 HydrophobicContact CZ3-CD2 4.01Å; W206-Y255 AromaticContact CZ3-CE2 3.93Å; W206-Y255 HydrophobicContact CZ3-CE2 3.93Å |
| 207 | F | 87.6 | Confident | 79.8 | Confident | 43 Ų | 43 | 64.7 Ų | 64.7 | 19% | 0.189 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 141.8 | 178.2 | -60.3 | -94.3 | 0 | 0 | 0 | 109.9 | R205 A211 V212 Y240 T241 Q243 | R205-F207 HydrophobicContact CB-CE2 3.91Å; R205-F207 HydrophobicContact CB-CZ 4.35Å; F207-A211 CarbonylContact C-O 3.59Å; F207-A211 WeakPolarHBondContact CA-O 3.26Å; F207-A211 WeakPolarHBondContact CB-O 3.26Å; F207-V212 HydrophobicContact CD1-CG2 4.17Å; F207-V212 HydrophobicContact CE1-CG2 3.93Å; F207-Y240 CarbonylContact O-C 3.55Å; F207-Y240 VanDerWaalsContact O-CA 3.27Å; F207-Y240 WeakPolarHBondContact O-CA 3.25Å; F207-T241 PolarHBondContact N-O 2.82Å; F207-T241 PolarHBondContact O-N 2.85Å; F207-Q243 HydrophobicContact CE2-CB 3.97Å |
| 208 | M | 86.5 | Confident | 78.3 | Confident | 39 Ų | 39 | 62.2 Ų | 62.2 | 19% | 0.192 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 109 | 167.1 | -170.1 | -176.6 | -176.7 | 0 | 0 | 108.2 | S210 A211 W215 Q239 Y240 | M208-S210 PolarHBondContact O-N 3.27Å; M208-A211 PolarHBondContact N-O 2.96Å; M208-A211 PolarHBondContact O-N 3.17Å; M208-A211 VanDerWaalsContact O-N 3.11Å; M208-W215 HydrophobicContact SD-CZ2 3.8Å; M208-Q239 CarbonylContact C-O 3.48Å; M208-Q239 WeakPolarHBondContact CA-O 2.94Å; M208-Y240 HydrophobicContact CB-CD1 4.06Å; M208-Y240 HydrophobicContact CB-CE1 3.83Å; M208-Y240 HydrophobicContact CE-CE1 4.41Å; M208-Y240 HydrophobicContact CE-CE2 4.32Å; M208-Y240 WeakPolarHBondContact CE-OH 3.47Å; M208-Y240 HydrophobicContact CG-CD1 4.08Å; M208-Y240 HydrophobicContact CG-CE1 3.62Å; M208-Y240 HydrophobicContact SD-CE1 3.76Å; M208-Y240 PolarHBondContact SD-OH 2.9Å |
| 209 | G | 83.4 | Confident | 76.7 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 51% | 0.505 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | -116.9 | -164.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q239 | G209-Q239 PolarHBondContact N-O 2.83Š|
| 210 | S | 79.9 | Confident | 74.9 | Confident | 125 Ų | 125 | 69.8 Ų | 69.8 | 87% | 0.874 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -11.5 | 175.7 | 54.4 | 0 | 0 | 0 | 0 | 114.5 | M208 | M208-S210 PolarHBondContact O-N 3.27Š|
| 211 | A | 81.6 | Confident | 73.3 | Confident | 59 Ų | 59 | 65.7 Ų | 65.7 | 49% | 0.488 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 148.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F207 M208 | F207-A211 CarbonylContact C-O 3.59Å; F207-A211 WeakPolarHBondContact CA-O 3.26Å; F207-A211 WeakPolarHBondContact CB-O 3.26Å; M208-A211 PolarHBondContact N-O 2.96Å; M208-A211 PolarHBondContact O-N 3.17Å; M208-A211 VanDerWaalsContact O-N 3.11Å |
| 212 | V | 79.1 | Confident | 71.9 | Confident | 69 Ų | 69 | 63.6 Ų | 63.6 | 42% | 0.418 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 134.8 | 171.4 | -162.7 | 0 | 0 | 0 | 0 | 108.9 | W206 F207 D214 | W206-V212 VanDerWaalsContact O-CG1 3.32Å; W206-V212 WeakPolarHBondContact O-CG1 3.44Å; F207-V212 HydrophobicContact CD1-CG2 4.17Å; F207-V212 HydrophobicContact CE1-CG2 3.93Å; V212-D214 WeakPolarHBondContact CG1-OD1 3.2Å; V212-D214 PolarHBondContact O-N 3.19Å |
| 213 | A | 72.3 | Confident | 70.9 | Confident | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.008 | 40% | 0.398 | C | S | . | . | trans | -79.6 | 37 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | W206 W215 I216 | W206-A213 HydrophobicContact CB-CB 3.98Å; W206-A213 PolarHBondContact O-N 2.7Å; A213-W215 PolarHBondContact O-N 3.23Å; A213-I216 HydrophobicContact CB-CD1 4.23Å; A213-I216 PolarHBondContact O-N 2.93Å | ||
| 214 | D | 65 | Low | 70.3 | Confident | 91 Ų | 91 | 65.2 Ų | 65.2 | 49% | 0.487 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -14.8 | -175.6 | -84.7 | 12.4 | 0 | 0 | 0 | 113.7 | V212 V222 | V212-D214 WeakPolarHBondContact CG1-OD1 3.2Å; V212-D214 PolarHBondContact O-N 3.19Å; D214-V222 HydrophobicContact CB-CG1 4.37Å; D214-V222 WeakPolarHBondContact O-CG2 3.44Å; D214-V222 WeakPolarHBondContact OD1-CG1 3.38Å |
| 215 | W | 63.3 | Low | 70.1 | Confident | 139 Ų | 139 | 64.7 Ų | 64.7 | 53% | 0.527 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -9.1 | 176.7 | 64.5 | -89.9 | 0 | 0 | 0 | 114.1 | M208 A213 H236 | M208-W215 HydrophobicContact SD-CZ2 3.8Å; A213-W215 PolarHBondContact O-N 3.23Å; W215-H236 AromaticContact CH2-CD2 3.39Å; W215-H236 WeakPolarHBondContact CH2-CD2 3.48Å; W215-H236 AromaticContact CH2-NE2 3.51Å; W215-H236 AromaticContact CZ3-CD2 3.95Å; W215-H236 AromaticContact CZ3-NE2 3.54Å |
| 216 | I | 58.3 | Low | 70 | Confident | 6 Ų | 6 | 61.3 Ų | 61.3 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -100.5 | 110.1 | -179.7 | -53.4 | 179.7 | 0 | 0 | 0 | 109.9 | A213 T218 L227 T228 I229 Y240 | A213-I216 HydrophobicContact CB-CD1 4.23Å; A213-I216 PolarHBondContact O-N 2.93Å; I216-T218 PolarHBondContact O-N 2.96Å; I216-L227 HydrophobicContact CB-CD1 3.77Å; I216-L227 HydrophobicContact CD1-CD2 4.38Å; I216-L227 HydrophobicContact CG2-CD1 3.43Å; I216-L227 VanDerWaalsContact CG2-CD1 3.43Å; I216-L227 HydrophobicContact CG2-CG 4.04Å; I216-T228 WeakPolarHBondContact CG2-O 3.07Å; I216-I229 HydrophobicContact CD1-CD1 4.03Å; I216-I229 HydrophobicContact CD1-CG1 4.23Å; I216-I229 HydrophobicContact CG2-CG1 3.87Å; I216-Y240 HydrophobicContact CD1-CD1 4.42Å; I216-Y240 HydrophobicContact CD1-CE1 3.56Å |
| 217 | T | 54.1 | Low | 69.8 | Low | 104 Ų | 104 | 61.3 Ų | 61.3 | 64% | 0.638 | 36% | 0.363 | S | S | * | . | trans | -71.5 | 110.9 | 173.9 | 40.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 218 | T | 52.5 | Low | 69.6 | Low | 10 Ų | 10 | 60.7 Ų | 60.7 | 6% | 0.061 | 36% | 0.363 | C | S | . | . | trans | -74.1 | 157.5 | 156.8 | 104.9 | 0 | 0 | 0 | 0 | 109.8 | I216 Q220 G221 I226 L227 | I216-T218 PolarHBondContact O-N 2.96Å; T218-Q220 PolarHBondContact O-N 3.2Å; T218-Q220 VanDerWaalsContact O-N 3.08Å; T218-Q220 PolarHBondContact OG1-N 3.29Å; T218-G221 WeakPolarHBondContact CB-O 3.1Å; T218-G221 WeakPolarHBondContact CG2-O 3.48Å; T218-G221 PolarHBondContact O-N 2.84Å; T218-G221 PolarHBondContact OG1-N 3.15Å; T218-G221 VanDerWaalsContact OG1-N 3.16Å; T218-G221 PolarHBondContact OG1-O 2.79Å; T218-I226 WeakPolarHBondContact CB-O 3.47Å; T218-I226 WeakPolarHBondContact CG2-O 3.15Å; T218-L227 HydrophobicContact CG2-CD1 3.89Å | ||
| 219 | G | 50.6 | Low | 69.5 | Low | 85 Ų | 85 | 59.3 Ų | 59.3 | 88% | 0.876 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -10.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 220 | Q | 49 | Very low | 69.5 | Low | 139 Ų | 139 | 62.8 Ų | 62.8 | 65% | 0.65 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | 15.3 | 173.2 | -63.8 | 178.6 | -11.5 | 0 | 0 | 111.8 | T218 | T218-Q220 PolarHBondContact O-N 3.2Å; T218-Q220 VanDerWaalsContact O-N 3.08Å; T218-Q220 PolarHBondContact OG1-N 3.29Å |
| 221 | G | 52.4 | Low | 69.5 | Low | 34 Ų | 34 | 66.6 Ų | 66.6 | 35% | 0.351 | 36% | 0.359 | S | S | . | . | trans | 75.9 | 164.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T218 R223 G224 | T218-G221 WeakPolarHBondContact CB-O 3.1Å; T218-G221 WeakPolarHBondContact CG2-O 3.48Å; T218-G221 PolarHBondContact O-N 2.84Å; T218-G221 PolarHBondContact OG1-N 3.15Å; T218-G221 VanDerWaalsContact OG1-N 3.16Å; T218-G221 PolarHBondContact OG1-O 2.79Å; G221-R223 PolarHBondContact O-N 3.4Å; G221-G224 PolarHBondContact O-N 2.86Å; G221-G224 VanDerWaalsContact O-N 3.07Å | ||
| 222 | V | 55.6 | Low | 69.6 | Low | 33 Ų | 33 | 63.8 Ų | 63.8 | 20% | 0.2 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -43 | -24.1 | -174.2 | 169.3 | 0 | 0 | 0 | 0 | 116.4 | D214 | D214-V222 HydrophobicContact CB-CG1 4.37Å; D214-V222 WeakPolarHBondContact O-CG2 3.44Å; D214-V222 WeakPolarHBondContact OD1-CG1 3.38Å |
| 223 | R | 65.8 | Low | 69.5 | Low | 182 Ų | 182 | 61 Ų | 61 | 69% | 0.687 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | 22.7 | -172.4 | -57.9 | 176.8 | -172.4 | 130.4 | 9.1 | 113.2 | G221 | G221-R223 PolarHBondContact O-N 3.4Š|
| 224 | G | 76.5 | Confident | 69.7 | Low | 4 Ų | 4 | 68.7 Ų | 68.7 | 4% | 0.041 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -86.8 | 165.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y204 W206 G221 I226 | Y204-G224 WeakPolarHBondContact CB-O 3.28Å; W206-G224 PolarHBondContact NE1-O 3.3Å; G221-G224 PolarHBondContact O-N 2.86Å; G221-G224 VanDerWaalsContact O-N 3.07Å; G224-I226 VanDerWaalsContact C-N 3.26Å; G224-I226 PolarHBondContact O-N 2.88Å |
| 225 | P | 83.5 | Confident | 70.4 | Confident | 16 Ų | 16 | 70.9 Ų | 70.9 | 10% | 0.104 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -69.8 | -20.1 | 176.1 | 28.5 | -35.3 | 0 | 0 | 0 | 114.1 | C194 E195 Y204 W206 | C194-P225 PolarHBondContact N-O 3.27Å; E195-P225 HydrophobicContact CB-CB 3.73Å; E195-P225 HydrophobicContact CB-CG 4.44Å; E195-P225 HydrophobicContact CG-CB 3.85Å; E195-P225 HydrophobicContact CG-CG 4.18Å; Y204-P225 HydrophobicContact CD1-CB 4.08Å; Y204-P225 HydrophobicContact CD2-CB 4.42Å; Y204-P225 HydrophobicContact CE1-CB 3.75Å; Y204-P225 HydrophobicContact CE2-CB 4.12Å; Y204-P225 HydrophobicContact CG-CB 4.42Å; W206-P225 WeakPolarHBondContact CZ2-O 3.34Å |
| 226 | I | 84.2 | Confident | 71.4 | Confident | 59 Ų | 59 | 65.3 Ų | 65.3 | 30% | 0.303 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 146.3 | -179.1 | -65.6 | 169.6 | 0 | 0 | 0 | 108.4 | T191 F192 N193 T218 G224 | T191-I226 HydrophobicContact CG2-CG2 3.48Å; T191-I226 VanDerWaalsContact CG2-CG2 3.48Å; F192-I226 CarbonylContact O-C 3.58Å; F192-I226 WeakPolarHBondContact O-CA 3.39Å; N193-I226 HydrophobicContact CB-CG1 4.34Å; T218-I226 WeakPolarHBondContact CB-O 3.47Å; T218-I226 WeakPolarHBondContact CG2-O 3.15Å; G224-I226 VanDerWaalsContact C-N 3.26Å; G224-I226 PolarHBondContact O-N 2.88Å |
| 227 | L | 84.1 | Confident | 72.7 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 121.2 | 173.2 | -178.1 | 70.4 | 0 | 0 | 0 | 109.5 | T191 F192 W206 I216 T218 Y240 | T191-L227 CarbonylContact C-O 3.56Å; T191-L227 WeakPolarHBondContact CA-O 3.15Å; F192-L227 HydrophobicContact CB-CB 4.35Å; F192-L227 HydrophobicContact CD2-CB 4.17Å; F192-L227 HydrophobicContact CD2-CD2 3.94Å; F192-L227 HydrophobicContact CD2-CG 4.19Å; F192-L227 HydrophobicContact CE2-CD2 4.43Å; F192-L227 PolarHBondContact N-O 3.08Å; F192-L227 PolarHBondContact O-N 2.97Å; W206-L227 HydrophobicContact CB-CD2 4.21Å; W206-L227 HydrophobicContact CD2-CB 3.79Å; W206-L227 HydrophobicContact CD2-CD2 3.69Å; W206-L227 HydrophobicContact CD2-CG 4.21Å; W206-L227 HydrophobicContact CE3-CB 4.09Å; W206-L227 HydrophobicContact CE3-CD2 3.51Å; W206-L227 HydrophobicContact CE3-CG 4.39Å; W206-L227 HydrophobicContact CG-CB 4.32Å; W206-L227 HydrophobicContact CG-CD1 4.26Å; W206-L227 HydrophobicContact CG-CD2 4.01Å; W206-L227 HydrophobicContact CG-CG 4.44Å; W206-L227 HydrophobicContact CH2-CB 4.01Å; W206-L227 HydrophobicContact CZ2-CB 3.72Å; W206-L227 HydrophobicContact CZ3-CB 4.18Å; W206-L227 HydrophobicContact CZ3-CD2 4.06Å; I216-L227 HydrophobicContact CB-CD1 3.77Å; I216-L227 HydrophobicContact CD1-CD2 4.38Å; I216-L227 HydrophobicContact CG2-CD1 3.43Å; I216-L227 VanDerWaalsContact CG2-CD1 3.43Å; I216-L227 HydrophobicContact CG2-CG 4.04Å; T218-L227 HydrophobicContact CG2-CD1 3.89Å; L227-Y240 HydrophobicContact CD2-CD1 4.13Å |
| 228 | T | 85 | Confident | 74.3 | Confident | 30 Ų | 30 | 64.2 Ų | 64.2 | 18% | 0.184 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 140.8 | -176.4 | -50.4 | 0 | 0 | 0 | 0 | 110.8 | V190 I216 D230 | V190-T228 WeakPolarHBondContact O-CA 3.49Å; I216-T228 WeakPolarHBondContact CG2-O 3.07Å; T228-D230 WeakPolarHBondContact CG2-OD1 3.39Å |
| 229 | I | 84.2 | Confident | 76.2 | Confident | 10 Ų | 10 | 69 Ų | 69 | 5% | 0.051 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 106.2 | 170.6 | -57 | 172.4 | 0 | 0 | 0 | 106.7 | S189 V190 F192 I216 V232 H236 Y240 L257 | S189-I229 CarbonylContact C-O 3.49Å; S189-I229 VanDerWaalsContact CA-O 3.23Å; S189-I229 WeakPolarHBondContact CA-O 3.47Å; V190-I229 HydrophobicContact CG1-CB 3.98Å; V190-I229 HydrophobicContact CG1-CD1 4.17Å; V190-I229 HydrophobicContact CG1-CG1 4.39Å; V190-I229 PolarHBondContact N-O 2.84Å; V190-I229 PolarHBondContact O-N 3.42Å; F192-I229 HydrophobicContact CE2-CD1 4.22Å; I216-I229 HydrophobicContact CD1-CD1 4.03Å; I216-I229 HydrophobicContact CD1-CG1 4.23Å; I216-I229 HydrophobicContact CG2-CG1 3.87Å; I229-V232 HydrophobicContact CB-CG2 4.28Å; I229-V232 HydrophobicContact CG2-CG2 3.85Å; I229-H236 VanDerWaalsContact CG2-ND1 3.35Å; I229-H236 WeakPolarHBondContact CG2-ND1 3.36Å; I229-Y240 HydrophobicContact CD1-CE2 4.49Å; I229-L257 HydrophobicContact CD1-CD2 4.46Å |
| 230 | D | 82.2 | Confident | 78 | Confident | 121 Ų | 121 | 65 Ų | 65 | 65% | 0.647 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -73 | -30.1 | -173.1 | -60.5 | -47.7 | 0 | 0 | 0 | 113.6 | S189 T228 | S189-D230 WeakPolarHBondContact CB-O 3.3Å; T228-D230 WeakPolarHBondContact CG2-OD1 3.39Å |
| 231 | R | 80.5 | Confident | 80 | Confident | 205 Ų | 205 | 59.6 Ų | 59.6 | 77% | 0.774 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -132.1 | 98.2 | 178.7 | -171.7 | 178.8 | -179.7 | 167.8 | 0.2 | 109.7 | H236 | R231-H236 PolarHBondContact O-CE1 3.32Š|
| 232 | V | 82.7 | Confident | 81.7 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | trans | -76.2 | 123.3 | -179 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | I186 G187 S188 V190 I229 H236 L257 V259 | I186-V232 CarbonylContact C-O 3.58Å; I186-V232 WeakPolarHBondContact CA-O 3.46Å; G187-V232 PolarHBondContact N-O 2.79Å; S188-V232 VanDerWaalsContact O-CB 3.28Å; S188-V232 WeakPolarHBondContact O-CB 3.46Å; S188-V232 VanDerWaalsContact O-CG2 3.22Å; S188-V232 WeakPolarHBondContact O-CG2 3.37Å; S188-V232 PolarHBondContact O-N 2.81Å; V190-V232 HydrophobicContact CB-CG2 4.2Å; V190-V232 HydrophobicContact CG1-CG2 3.62Å; I229-V232 HydrophobicContact CB-CG2 4.28Å; I229-V232 HydrophobicContact CG2-CG2 3.85Å; V232-H236 HydrophobicContact CG1-CB 4.32Å; V232-L257 HydrophobicContact CG1-CD2 4.24Å; V232-V259 HydrophobicContact CG1-CB 4.11Å; V232-V259 HydrophobicContact CG1-CG1 3.63Å; V232-V259 HydrophobicContact CG1-CG2 3.32Å | ||
| 233 | G | 77.2 | Confident | 83.3 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 9% | 0.093 | 27% | 0.272 | C | S | . | . | trans | -111 | 176.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E235 H236 V259 | G233-E235 VanDerWaalsContact C-N 3.26Å; G233-E235 WeakPolarHBondContact CA-OE1 2.93Å; G233-E235 PolarHBondContact O-N 2.83Å; G233-H236 PolarHBondContact N-ND1 3Å; G233-H236 WeakPolarHBondContact O-CB 2.96Å; G233-H236 PolarHBondContact O-N 2.83Å; G233-V259 WeakPolarHBondContact O-CG2 3.36Å | ||
| 234 | R | 77.1 | Confident | 84.4 | Confident | 164 Ų | 164 | 49.2 Ų | 49.2 | 62% | 0.619 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -63.3 | -37.1 | -175.8 | -68.8 | 174.4 | 60.2 | 151.7 | -8.5 | 111.5 | I186 H236 T237 E261 | I186-R234 HydrophobicContact CD1-CG 3.44Å; I186-R234 VanDerWaalsContact CD1-CG 3.44Å; I186-R234 HydrophobicContact CG1-CG 4.15Å; R234-H236 PolarHBondContact O-N 2.78Å; R234-T237 VanDerWaalsContact O-CB 3.26Å; R234-T237 WeakPolarHBondContact O-CB 3.39Å; R234-T237 PolarHBondContact O-N 2.88Å; R234-T237 PolarHBondContact O-OG1 3.22Å; R234-E261 IonicContact CZ-OE2 2.65Å; R234-E261 IonicContact NH1-OE2 2.83Å; R234-E261 PolarHBondContact NH1-OE2 2.86Å |
| 235 | E | 79.9 | Confident | 85.1 | Confident | 137 Ų | 137 | 50.3 Ų | 50.3 | 64% | 0.64 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -60.4 | -15.4 | 174.2 | 66.3 | -72.5 | 172.7 | 0 | 0 | 114.3 | G233 | G233-E235 VanDerWaalsContact C-N 3.26Å; G233-E235 WeakPolarHBondContact CA-OE1 2.93Å; G233-E235 PolarHBondContact O-N 2.83Å |
| 236 | H | 84.4 | Confident | 85.3 | Confident | 21 Ų | 21 | 50.6 Ų | 50.6 | 10% | 0.097 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -87.9 | -1.8 | 173.6 | -55.4 | 168 | 0 | 0 | 0 | 112.9 | W215 I229 R231 V232 G233 R234 G238 Y240 L257 | W215-H236 AromaticContact CH2-CD2 3.39Å; W215-H236 WeakPolarHBondContact CH2-CD2 3.48Å; W215-H236 AromaticContact CH2-NE2 3.51Å; W215-H236 AromaticContact CZ3-CD2 3.95Å; W215-H236 AromaticContact CZ3-NE2 3.54Å; I229-H236 VanDerWaalsContact CG2-ND1 3.35Å; I229-H236 WeakPolarHBondContact CG2-ND1 3.36Å; R231-H236 PolarHBondContact O-CE1 3.32Å; V232-H236 HydrophobicContact CG1-CB 4.32Å; G233-H236 PolarHBondContact N-ND1 3Å; G233-H236 WeakPolarHBondContact O-CB 2.96Å; G233-H236 PolarHBondContact O-N 2.83Å; R234-H236 PolarHBondContact O-N 2.78Å; H236-G238 PolarHBondContact O-N 2.66Å; H236-Y240 WeakPolarHBondContact O-CE2 3.35Å; H236-Y240 PolarHBondContact O-OH 2.81Å; H236-L257 HydrophobicContact CB-CD2 4.28Å |
| 237 | T | 85.9 | Confident | 85.5 | Confident | 64 Ų | 64 | 53.8 Ų | 53.8 | 39% | 0.393 | 26% | 0.264 | S | S | . | . | trans | -65.3 | 122.2 | 174.5 | -56.5 | 0 | 0 | 0 | 0 | 110.2 | R234 L258 V259 | R234-T237 VanDerWaalsContact O-CB 3.26Å; R234-T237 WeakPolarHBondContact O-CB 3.39Å; R234-T237 PolarHBondContact O-N 2.88Å; R234-T237 PolarHBondContact O-OG1 3.22Å; T237-L258 HydrophobicContact CG2-CD1 4.2Å; T237-V259 WeakPolarHBondContact OG1-CB 3.44Å; T237-V259 WeakPolarHBondContact OG1-CG2 3.1Å | ||
| 238 | G | 87.9 | Confident | 85.7 | Confident | 23 Ų | 23 | 54 Ų | 54 | 24% | 0.237 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.5 | -168.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | H236 R256 L257 | H236-G238 PolarHBondContact O-N 2.66Å; G238-R256 CarbonylContact O-C 3.55Å; G238-R256 WeakPolarHBondContact O-CA 3.25Å; G238-L257 PolarHBondContact N-O 2.86Å; G238-L257 PolarHBondContact O-N 3.35Å |
| 239 | Q | 90.9 | Very high | 85.8 | Confident | 111 Ų | 111 | 52.7 Ų | 52.7 | 52% | 0.519 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 123.5 | 173.2 | -64.5 | -177.7 | 19.6 | 0 | 0 | 109.4 | M208 G209 T254 Y255 | M208-Q239 CarbonylContact C-O 3.48Å; M208-Q239 WeakPolarHBondContact CA-O 2.94Å; G209-Q239 PolarHBondContact N-O 2.83Å; Q239-T254 HydrophobicContact CB-CG2 3.95Å; Q239-Y255 CarbonylContact C-O 3.58Å; Q239-Y255 VanDerWaalsContact CA-O 3.28Å; Q239-Y255 WeakPolarHBondContact CA-O 3.39Å |
| 240 | Y | 89.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 104.7 | -178.7 | -72.7 | -78.4 | 0 | 0 | 0 | 110.2 | F192 F207 M208 I216 L227 I229 H236 T254 Y255 L257 | F192-Y240 HydrophobicContact CE2-CD2 4.04Å; F192-Y240 HydrophobicContact CE2-CE2 4.41Å; F192-Y240 HydrophobicContact CE2-CG 4.2Å; F192-Y240 AromaticContact CZ-CD2 3.82Å; F192-Y240 HydrophobicContact CZ-CD2 3.82Å; F192-Y240 HydrophobicContact CZ-CE2 4.29Å; F192-Y240 HydrophobicContact CZ-CG 4.33Å; F207-Y240 CarbonylContact O-C 3.55Å; F207-Y240 VanDerWaalsContact O-CA 3.27Å; F207-Y240 WeakPolarHBondContact O-CA 3.25Å; M208-Y240 HydrophobicContact CB-CD1 4.06Å; M208-Y240 HydrophobicContact CB-CE1 3.83Å; M208-Y240 HydrophobicContact CE-CE1 4.41Å; M208-Y240 HydrophobicContact CE-CE2 4.32Å; M208-Y240 WeakPolarHBondContact CE-OH 3.47Å; M208-Y240 HydrophobicContact CG-CD1 4.08Å; M208-Y240 HydrophobicContact CG-CE1 3.62Å; M208-Y240 HydrophobicContact SD-CE1 3.76Å; M208-Y240 PolarHBondContact SD-OH 2.9Å; I216-Y240 HydrophobicContact CD1-CD1 4.42Å; I216-Y240 HydrophobicContact CD1-CE1 3.56Å; L227-Y240 HydrophobicContact CD2-CD1 4.13Å; I229-Y240 HydrophobicContact CD1-CE2 4.49Å; H236-Y240 WeakPolarHBondContact O-CE2 3.35Å; H236-Y240 PolarHBondContact O-OH 2.81Å; Y240-T254 CarbonylContact O-C 3.52Å; Y240-T254 WeakPolarHBondContact O-CA 3.31Å; Y240-Y255 PolarHBondContact N-O 2.94Å; Y240-Y255 PolarHBondContact O-N 3.45Å; Y240-L257 HydrophobicContact CD2-CB 4.03Å; Y240-L257 HydrophobicContact CE2-CB 3.91Å; Y240-L257 HydrophobicContact CE2-CD2 3.96Å |
| 241 | T | 90 | Very high | 86.4 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 16% | 0.16 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 117.1 | -179.7 | -58 | 0 | 0 | 0 | 0 | 110.5 | W206 F207 N252 Y253 T254 | W206-T241 CarbonylContact C-O 3.58Å; W206-T241 WeakPolarHBondContact CA-O 3.25Å; F207-T241 PolarHBondContact N-O 2.82Å; F207-T241 PolarHBondContact O-N 2.85Å; T241-N252 HydrophobicContact CG2-CB 4.16Å; T241-Y253 CarbonylContact C-O 3.57Å; T241-Y253 VanDerWaalsContact CA-O 3.25Å; T241-Y253 WeakPolarHBondContact CA-O 3.37Å; T241-T254 WeakPolarHBondContact OG1-CG2 3.37Å; T241-T254 PolarHBondContact OG1-OG1 3.5Å |
| 242 | C | 89 | Confident | 86.8 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 143.4 | 161.8 | -163.7 | 0 | 0 | 0 | 0 | 109.5 | C194 R205 W206 N252 Y253 | C194-C242 HydrophobicContact CB-CB 3.51Å; C194-C242 WeakPolarHBondContact CB-SG 3.26Å; C194-C242 VanDerWaalsContact SG-CB 3.52Å; R205-C242 CarbonylContact O-C 3.43Å; R205-C242 WeakPolarHBondContact O-CA 3.27Å; W206-C242 HydrophobicContact CD2-CB 3.96Å; W206-C242 VanDerWaalsContact CE2-SG 3.59Å; W206-C242 HydrophobicContact CE3-CB 3.73Å; W206-C242 HydrophobicContact CH2-CB 3.68Å; W206-C242 HydrophobicContact CZ2-CB 3.87Å; W206-C242 HydrophobicContact CZ3-CB 3.61Å; C242-N252 CarbonylContact O-C 3.53Å; C242-N252 VanDerWaalsContact O-CA 3.25Å; C242-N252 WeakPolarHBondContact O-CA 3.32Å; C242-Y253 PolarHBondContact N-O 3.34Å; C242-Y253 PolarHBondContact O-N 2.77Å |
| 243 | Q | 89.3 | Confident | 87.1 | Confident | 32 Ų | 32 | 44.5 Ų | 44.5 | 15% | 0.15 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 126.6 | 167.2 | 172.7 | 168.6 | 92.1 | 0 | 0 | 109.5 | Y204 R205 F207 L251 N252 | Y204-Q243 CarbonylContact C-O 3.48Å; Y204-Q243 WeakPolarHBondContact CA-O 3.25Å; R205-Q243 HydrophobicContact CB-CB 4.45Å; R205-Q243 VanDerWaalsContact CZ-OE1 3.3Å; R205-Q243 PolarHBondContact N-O 2.65Å; R205-Q243 PolarHBondContact O-N 3.43Å; F207-Q243 HydrophobicContact CE2-CB 3.97Å; Q243-L251 CarbonylContact C-O 3.57Å; Q243-L251 WeakPolarHBondContact CA-O 3.19Å; Q243-N252 WeakPolarHBondContact CB-OD1 3.1Å; Q243-N252 VanDerWaalsContact CG-OD1 3.25Å; Q243-N252 WeakPolarHBondContact CG-OD1 3.47Å; Q243-N252 PolarHBondContact NE2-OD1 3.04Å |
| 244 | V | 89.5 | Confident | 87.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 139.4 | 174 | -174.6 | 0 | 0 | 0 | 0 | 108.5 | P167 F169 A196 I202 K203 Y204 S250 L251 | P167-V244 HydrophobicContact CB-CG1 3.76Å; P167-V244 HydrophobicContact CG-CG1 4.44Å; F169-V244 HydrophobicContact CD1-CG2 4.35Å; F169-V244 HydrophobicContact CE1-CG2 3.5Å; F169-V244 HydrophobicContact CZ-CG2 4.1Å; A196-V244 HydrophobicContact CB-CB 4.4Å; A196-V244 HydrophobicContact CB-CG1 3.58Å; A196-V244 HydrophobicContact CB-CG2 4.13Å; I202-V244 HydrophobicContact CG2-CG1 3.55Å; K203-V244 CarbonylContact O-C 3.5Å; K203-V244 WeakPolarHBondContact O-CA 3.28Å; Y204-V244 HydrophobicContact CD1-CG1 4.49Å; Y204-V244 HydrophobicContact CD1-CG2 3.78Å; Y204-V244 HydrophobicContact CE1-CG1 4.12Å; Y204-V244 HydrophobicContact CE1-CG2 3.79Å; V244-S250 CarbonylContact O-C 3.55Å; V244-S250 WeakPolarHBondContact O-CA 3.36Å; V244-S250 WeakPolarHBondContact O-CB 3.12Å; V244-S250 PolarHBondContact O-OG 2.91Å; V244-L251 PolarHBondContact N-O 2.83Å; V244-L251 PolarHBondContact O-N 2.68Å |
| 245 | S | 89.4 | Confident | 88.3 | Confident | 26 Ų | 26 | 38.2 Ų | 38.2 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 148 | 174.8 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | K203 G249 | K203-S245 PolarHBondContact N-O 3.02Å; K203-S245 PolarHBondContact O-N 3.03Å; K203-S245 PolarHBondContact O-OG 3.34Å; S245-G249 WeakPolarHBondContact CA-O 3.34Å |
| 246 | N | 89.1 | Confident | 88.9 | Confident | 23 Ų | 23 | 39.4 Ų | 39.4 | 12% | 0.123 | 21% | 0.209 | C | C | . | . | trans | -137.7 | -163.4 | 164.3 | 79.3 | -2.5 | 0 | 0 | 0 | 110.2 | K165 P167 T199 V248 G249 | K165-N246 PolarHBondContact O-ND2 3.25Å; P167-N246 WeakPolarHBondContact CD-OD1 3.32Å; T199-N246 PolarHBondContact N-ND2 2.77Å; T199-N246 WeakPolarHBondContact O-CB 3.49Å; T199-N246 PolarHBondContact O-ND2 2.79Å; N246-V248 PolarHBondContact O-N 3.4Å; N246-V248 WeakPolarHBondContact OD1-CB 3.28Å; N246-V248 PolarHBondContact OD1-N 2.89Å; N246-G249 PolarHBondContact N-O 3.01Å; N246-G249 PolarHBondContact OD1-N 3.36Å | ||
| 247 | L | 88 | Confident | 89.1 | Confident | 126 Ų | 126 | 38.5 Ų | 38.5 | 66% | 0.66 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -65.7 | -18.7 | 179.8 | -65.8 | 171 | 0 | 0 | 0 | 114.7 | I159 | I159-L247 WeakPolarHBondContact CD1-O 3.22Š|
| 248 | V | 87.5 | Confident | 89.3 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.024 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -102.3 | -36.1 | -171.8 | -175.9 | 0 | 0 | 0 | 0 | 112 | P157 N158 A164 A166 N246 | P157-V248 HydrophobicContact CB-CG1 3.66Å; N158-V248 WeakPolarHBondContact CB-O 3.48Å; N158-V248 PolarHBondContact N-O 2.66Å; A164-V248 HydrophobicContact CB-CG2 3.34Å; A166-V248 HydrophobicContact CB-CB 4.47Å; A166-V248 HydrophobicContact CB-CG1 3.97Å; N246-V248 PolarHBondContact O-N 3.4Å; N246-V248 WeakPolarHBondContact OD1-CB 3.28Å; N246-V248 PolarHBondContact OD1-N 2.89Å |
| 249 | G | 88 | Confident | 89.1 | Confident | 4 Ų | 4 | 39 Ų | 39 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | trans | -171.7 | -176.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | S245 N246 | S245-G249 WeakPolarHBondContact CA-O 3.34Å; N246-G249 PolarHBondContact N-O 3.01Å; N246-G249 PolarHBondContact OD1-N 3.36Å | ||
| 250 | S | 89.9 | Confident | 88.2 | Confident | 52 Ų | 52 | 35.6 Ų | 35.6 | 36% | 0.364 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 147.1 | 178.5 | -172.8 | 0 | 0 | 0 | 0 | 111.7 | A155 V244 | A155-S250 WeakPolarHBondContact CB-O 3.22Å; V244-S250 CarbonylContact O-C 3.55Å; V244-S250 WeakPolarHBondContact O-CA 3.36Å; V244-S250 WeakPolarHBondContact O-CB 3.12Å; V244-S250 PolarHBondContact O-OG 2.91Å |
| 251 | L | 88.7 | Confident | 87 | Confident | 19 Ų | 19 | 41.1 Ų | 41.1 | 10% | 0.099 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 149.9 | 172.8 | -78.2 | 170.8 | 0 | 0 | 0 | 109.8 | L153 A155 P167 F169 Q243 V244 | L153-L251 HydrophobicContact CG-CD2 4.38Å; L153-L251 WeakPolarHBondContact O-CD1 3.35Å; A155-L251 HydrophobicContact CB-CD2 4.39Å; A155-L251 HydrophobicContact CB-CG 3.96Å; P167-L251 WeakPolarHBondContact O-CD1 3.19Å; F169-L251 HydrophobicContact CD2-CB 4.4Å; F169-L251 HydrophobicContact CD2-CD1 3.72Å; F169-L251 HydrophobicContact CE2-CB 3.65Å; F169-L251 HydrophobicContact CE2-CD1 3.83Å; F169-L251 HydrophobicContact CE2-CD2 4.43Å; F169-L251 HydrophobicContact CE2-CG 4.18Å; F169-L251 HydrophobicContact CG-CD1 4.22Å; F169-L251 HydrophobicContact CZ-CB 3.76Å; F169-L251 HydrophobicContact CZ-CD1 4.4Å; Q243-L251 CarbonylContact C-O 3.57Å; Q243-L251 WeakPolarHBondContact CA-O 3.19Å; V244-L251 PolarHBondContact N-O 2.83Å; V244-L251 PolarHBondContact O-N 2.68Å |
| 252 | N | 89.3 | Confident | 85.7 | Confident | 92 Ų | 92 | 43 Ų | 43 | 49% | 0.492 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 150.8 | 168.7 | -60.2 | -30.7 | 0 | 0 | 0 | 109.4 | T241 C242 Q243 | T241-N252 HydrophobicContact CG2-CB 4.16Å; C242-N252 CarbonylContact O-C 3.53Å; C242-N252 VanDerWaalsContact O-CA 3.25Å; C242-N252 WeakPolarHBondContact O-CA 3.32Å; Q243-N252 WeakPolarHBondContact CB-OD1 3.1Å; Q243-N252 VanDerWaalsContact CG-OD1 3.25Å; Q243-N252 WeakPolarHBondContact CG-OD1 3.47Å; Q243-N252 PolarHBondContact NE2-OD1 3.04Å |
| 253 | Y | 88.7 | Confident | 84.1 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 136.2 | 172.2 | -162 | -90 | 0 | 0 | 0 | 111.4 | F169 L174 N177 I180 T241 C242 Y255 | F169-Y253 HydrophobicContact CE2-CD2 4.27Å; F169-Y253 HydrophobicContact CE2-CG 4.49Å; L174-Y253 HydrophobicContact CB-CD2 3.99Å; L174-Y253 HydrophobicContact CB-CE2 3.76Å; L174-Y253 HydrophobicContact CD2-CD1 3.81Å; L174-Y253 HydrophobicContact CD2-CD2 4.46Å; L174-Y253 HydrophobicContact CD2-CE1 3.52Å; L174-Y253 HydrophobicContact CD2-CE2 4.22Å; L174-Y253 HydrophobicContact CD2-CG 4.28Å; L174-Y253 VanDerWaalsContact O-CE2 3.26Å; L174-Y253 WeakPolarHBondContact O-CE2 3.18Å; N177-Y253 WeakPolarHBondContact O-CE2 3.34Å; N177-Y253 VanDerWaalsContact O-CZ 3.31Å; N177-Y253 PolarHBondContact O-OH 2.84Å; I180-Y253 HydrophobicContact CD1-CE1 4.09Å; I180-Y253 VanDerWaalsContact CD1-OH 3.31Å; I180-Y253 WeakPolarHBondContact CD1-OH 3.4Å; I180-Y253 HydrophobicContact CG1-CE1 4.39Å; I180-Y253 VanDerWaalsContact CG1-OH 3.3Å; I180-Y253 WeakPolarHBondContact CG1-OH 3.46Å; T241-Y253 CarbonylContact C-O 3.57Å; T241-Y253 VanDerWaalsContact CA-O 3.25Å; T241-Y253 WeakPolarHBondContact CA-O 3.37Å; C242-Y253 PolarHBondContact N-O 3.34Å; C242-Y253 PolarHBondContact O-N 2.77Å; Y253-Y255 HydrophobicContact CD1-CD2 4.48Å; Y253-Y255 HydrophobicContact CD1-CE1 4.18Å; Y253-Y255 AromaticContact CD1-CE2 4Å; Y253-Y255 HydrophobicContact CD1-CE2 4Å; Y253-Y255 AromaticContact CD1-CZ 3.84Å; Y253-Y255 HydrophobicContact CE1-CD1 4.37Å; Y253-Y255 AromaticContact CE1-CE1 3.97Å; Y253-Y255 HydrophobicContact CE1-CE1 3.97Å |
| 254 | T | 89.8 | Confident | 82.8 | Confident | 29 Ų | 29 | 45.3 Ų | 45.3 | 18% | 0.178 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 114.2 | -170.4 | -57.9 | 0 | 0 | 0 | 0 | 113.4 | P178 S179 I180 Q239 Y240 T241 | P178-T254 PolarHBondContact O-N 3.26Å; S179-T254 WeakPolarHBondContact CA-O 3.3Å; S179-T254 WeakPolarHBondContact CB-O 3.45Å; I180-T254 PolarHBondContact N-O 3.08Å; Q239-T254 HydrophobicContact CB-CG2 3.95Å; Y240-T254 CarbonylContact O-C 3.52Å; Y240-T254 WeakPolarHBondContact O-CA 3.31Å; T241-T254 WeakPolarHBondContact OG1-CG2 3.37Å; T241-T254 PolarHBondContact OG1-OG1 3.5Å |
| 255 | Y | 90.5 | Very high | 81.7 | Confident | 12 Ų | 12 | 47.2 Ų | 47.2 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 148.9 | 167.2 | -55.8 | -84.9 | 0 | 0 | 0 | 110.9 | L174 I180 L182 F192 N193 C194 W206 Q239 Y240 Y253 | L174-Y255 HydrophobicContact CD2-CE1 4.25Å; L174-Y255 VanDerWaalsContact CD2-OH 3.31Å; L174-Y255 WeakPolarHBondContact CD2-OH 3.39Å; I180-Y255 HydrophobicContact CB-CD1 4.23Å; I180-Y255 HydrophobicContact CD1-CE1 4.47Å; I180-Y255 CarbonylContact O-C 3.54Å; I180-Y255 WeakPolarHBondContact O-CA 3.17Å; L182-Y255 HydrophobicContact CD1-CD1 3.74Å; L182-Y255 HydrophobicContact CD1-CG 4.42Å; F192-Y255 HydrophobicContact CB-CD2 3.89Å; F192-Y255 HydrophobicContact CB-CE2 3.79Å; F192-Y255 HydrophobicContact CB-CG 4.44Å; F192-Y255 AromaticContact CD1-CD1 3.87Å; F192-Y255 HydrophobicContact CD1-CD1 3.87Å; F192-Y255 AromaticContact CD1-CD2 3.68Å; F192-Y255 HydrophobicContact CD1-CD2 3.68Å; F192-Y255 HydrophobicContact CD1-CE1 4.46Å; F192-Y255 HydrophobicContact CD1-CE2 4.3Å; F192-Y255 AromaticContact CD1-CG 3.42Å; F192-Y255 HydrophobicContact CD1-CG 3.42Å; F192-Y255 VanDerWaalsContact CD1-CG 3.42Å; F192-Y255 HydrophobicContact CE1-CD2 4.5Å; F192-Y255 AromaticContact CE1-CG 3.98Å; F192-Y255 HydrophobicContact CE1-CG 3.98Å; F192-Y255 HydrophobicContact CG-CD2 4Å; F192-Y255 HydrophobicContact CG-CE2 4.4Å; F192-Y255 HydrophobicContact CG-CG 4.22Å; N193-Y255 PolarHBondContact O-OH 2.87Å; C194-Y255 PolarHBondContact SG-OH 3.31Å; W206-Y255 HydrophobicContact CH2-CD2 4.41Å; W206-Y255 AromaticContact CH2-CE2 3.89Å; W206-Y255 HydrophobicContact CH2-CE2 3.89Å; W206-Y255 HydrophobicContact CZ3-CD2 4.01Å; W206-Y255 AromaticContact CZ3-CE2 3.93Å; W206-Y255 HydrophobicContact CZ3-CE2 3.93Å; Q239-Y255 CarbonylContact C-O 3.58Å; Q239-Y255 VanDerWaalsContact CA-O 3.28Å; Q239-Y255 WeakPolarHBondContact CA-O 3.39Å; Y240-Y255 PolarHBondContact N-O 2.94Å; Y240-Y255 PolarHBondContact O-N 3.45Å; Y253-Y255 HydrophobicContact CD1-CD2 4.48Å; Y253-Y255 HydrophobicContact CD1-CE1 4.18Å; Y253-Y255 AromaticContact CD1-CE2 4Å; Y253-Y255 HydrophobicContact CD1-CE2 4Å; Y253-Y255 AromaticContact CD1-CZ 3.84Å; Y253-Y255 HydrophobicContact CE1-CD1 4.37Å; Y253-Y255 AromaticContact CE1-CE1 3.97Å; Y253-Y255 HydrophobicContact CE1-CE1 3.97Å |
| 256 | R | 90.8 | Very high | 81.1 | Confident | 161 Ų | 161 | 47.7 Ų | 47.7 | 61% | 0.608 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 105.7 | 170.2 | 179.9 | 178.8 | 178.3 | 175.9 | -1.1 | 108.7 | I180 S181 L182 G238 | I180-R256 PolarHBondContact O-N 2.98Å; S181-R256 CarbonylContact C-O 3.55Å; S181-R256 WeakPolarHBondContact CA-O 3.39Å; L182-R256 PolarHBondContact N-O 2.82Å; G238-R256 CarbonylContact O-C 3.55Å; G238-R256 WeakPolarHBondContact O-CA 3.25Å |
| 257 | L | 90.6 | Very high | 81 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 121.7 | 176.3 | -175.2 | 62 | 0 | 0 | 0 | 109.8 | L182 R184 V190 F192 I229 V232 H236 G238 Y240 V259 | L182-L257 HydrophobicContact CB-CD1 4.31Å; R184-L257 HydrophobicContact CB-CD1 4.09Å; R184-L257 HydrophobicContact CG-CD1 3.8Å; V190-L257 HydrophobicContact CG1-CD1 4.35Å; V190-L257 HydrophobicContact CG1-CD2 4.01Å; V190-L257 HydrophobicContact CG2-CD1 4.3Å; F192-L257 HydrophobicContact CZ-CB 4.19Å; F192-L257 HydrophobicContact CZ-CD1 4.47Å; F192-L257 HydrophobicContact CZ-CD2 4.2Å; I229-L257 HydrophobicContact CD1-CD2 4.46Å; V232-L257 HydrophobicContact CG1-CD2 4.24Å; H236-L257 HydrophobicContact CB-CD2 4.28Å; G238-L257 PolarHBondContact N-O 2.86Å; G238-L257 PolarHBondContact O-N 3.35Å; Y240-L257 HydrophobicContact CD2-CB 4.03Å; Y240-L257 HydrophobicContact CE2-CB 3.91Å; Y240-L257 HydrophobicContact CE2-CD2 3.96Å; L257-V259 HydrophobicContact CD2-CG2 4.16Å; L257-V259 HydrophobicContact CG-CG2 4.06Å |
| 258 | L | 88.3 | Confident | 81 | Confident | 82 Ų | 82 | 45.9 Ų | 45.9 | 43% | 0.429 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 124.4 | 167.6 | -179.9 | 61.3 | 0 | 0 | 0 | 109.2 | L182 E183 R184 T237 | L182-L258 PolarHBondContact O-N 3.47Å; E183-L258 WeakPolarHBondContact CA-O 3.14Å; E183-L258 HydrophobicContact CG-CB 4.35Å; E183-L258 HydrophobicContact CG-CD2 4.32Å; R184-L258 PolarHBondContact N-O 2.95Å; T237-L258 HydrophobicContact CG2-CD1 4.2Å |
| 259 | V | 83.9 | Confident | 81 | Confident | 16 Ų | 16 | 46.8 Ų | 46.8 | 10% | 0.097 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 115.1 | -179.7 | -172.6 | 0 | 0 | 0 | 0 | 109.9 | R184 I186 V232 G233 T237 L257 | R184-V259 CarbonylContact O-C 3.59Å; R184-V259 WeakPolarHBondContact O-CA 3.45Å; I186-V259 HydrophobicContact CG1-CG1 3.62Å; V232-V259 HydrophobicContact CG1-CB 4.11Å; V232-V259 HydrophobicContact CG1-CG1 3.63Å; V232-V259 HydrophobicContact CG1-CG2 3.32Å; G233-V259 WeakPolarHBondContact O-CG2 3.36Å; T237-V259 WeakPolarHBondContact OG1-CB 3.44Å; T237-V259 WeakPolarHBondContact OG1-CG2 3.1Å; L257-V259 HydrophobicContact CD2-CG2 4.16Å; L257-V259 HydrophobicContact CG-CG2 4.06Å |
| 260 | S | 72.9 | Confident | 81 | Confident | 39 Ų | 39 | 50.3 Ų | 50.3 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 137.7 | 175.8 | 55.4 | 0 | 0 | 0 | 0 | 111.2 | R184 L185 I186 | R184-S260 PolarHBondContact O-N 2.84Å; R184-S260 PolarHBondContact O-OG 3.25Å; L185-S260 CarbonylContact C-O 3.58Å; L185-S260 VanDerWaalsContact CA-O 3.25Å; L185-S260 WeakPolarHBondContact CA-O 3.46Å; I186-S260 PolarHBondContact N-O 2.79Å |
| 261 | E | 64.1 | Low | 80.3 | Confident | 116 Ų | 116 | 50.2 Ų | 50.2 | 54% | 0.542 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 132.8 | 170.3 | -168.8 | 147.6 | -170.9 | 0 | 0 | 108.1 | I186 R234 | I186-E261 HydrophobicContact CD1-CB 3.62Å; I186-E261 HydrophobicContact CD1-CG 3.68Å; I186-E261 HydrophobicContact CG1-CB 4.44Å; R234-E261 IonicContact CZ-OE2 2.65Å; R234-E261 IonicContact NH1-OE2 2.83Å; R234-E261 PolarHBondContact NH1-OE2 2.86Å |
| 262 | P | 62.7 | Low | 79.5 | Confident | 65 Ų | 65 | 53.9 Ų | 53.9 | 42% | 0.422 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 132.7 | 170.5 | 22.3 | -31.8 | 0 | 0 | 0 | 109.2 | L185 S264 | L185-P262 HydrophobicContact CD2-CB 3.94Å; P262-S264 PolarHBondContact O-N 3.41Å |
| 263 | P | 55.3 | Low | 78.6 | Confident | 37 Ų | 37 | 54.1 Ų | 54.1 | 24% | 0.24 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 136.5 | -175.1 | 27 | -36 | 0 | 0 | 0 | 110.3 | A293 K411 E413 | P263-A293 HydrophobicContact CB-CB 3.87Å; P263-A293 HydrophobicContact CG-CB 4.1Å; P263-A293 VanDerWaalsContact O-CB 3.26Å; P263-A293 WeakPolarHBondContact O-CB 3.47Å; P263-K411 WeakPolarHBondContact CG-O 3.38Å; P263-E413 HydrophobicContact CB-CG 3.41Å; P263-E413 VanDerWaalsContact CB-CG 3.41Å |
| 264 | S | 61.1 | Low | 77.9 | Confident | 44 Ų | 44 | 58.6 Ų | 58.6 | 31% | 0.308 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 133.1 | -165.2 | -170.4 | 0 | 0 | 0 | 0 | 112.3 | P262 T266 A293 | P262-S264 PolarHBondContact O-N 3.41Å; S264-T266 PolarHBondContact O-N 3.28Å; S264-T266 WeakPolarHBondContact OG-CB 3.47Å; S264-T266 PolarHBondContact OG-N 3.11Å; S264-A293 WeakPolarHBondContact O-CB 3.38Å; S264-A293 PolarHBondContact O-N 3.16Å |
| 265 | A | 66.8 | Low | 77.8 | Confident | 40 Ų | 40 | 62.3 Ų | 62.3 | 33% | 0.331 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -71.2 | -6.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113 | C292 S441 | A265-C292 PolarHBondContact O-SG 2.94Å; A265-S441 WeakPolarHBondContact O-CB 3.35Å; A265-S441 PolarHBondContact O-OG 3.47Å |
| 266 | T | 77.6 | Confident | 77.7 | Confident | 37 Ų | 37 | 64.3 Ų | 64.3 | 23% | 0.227 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -77.4 | 120.2 | 169.9 | -60 | 0 | 0 | 0 | 0 | 110.2 | S264 S447 | S264-T266 PolarHBondContact O-N 3.28Å; S264-T266 WeakPolarHBondContact OG-CB 3.47Å; S264-T266 PolarHBondContact OG-N 3.11Å; T266-S447 WeakPolarHBondContact OG1-CB 3.23Å; T266-S447 PolarHBondContact OG1-OG 2.81Å; T266-S447 VanDerWaalsContact OG1-OG 3.11Å |
| 267 | P | 86 | Confident | 77.6 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 35% | 0.352 | C | S | . | . | trans | -70.5 | 135.2 | 174.7 | 27.4 | -32.3 | 0 | 0 | 0 | 111.8 | I290 K291 C292 P297 T439 | P267-I290 HydrophobicContact CB-CG2 3.55Å; P267-K291 CarbonylContact C-O 3.51Å; P267-K291 WeakPolarHBondContact CA-O 3.44Å; P267-C292 HydrophobicContact CB-CB 3.99Å; P267-P297 HydrophobicContact CB-CB 3.98Å; P267-P297 HydrophobicContact CG-CB 4.22Å; P267-T439 HydrophobicContact CB-CG2 3.79Å; P267-T439 WeakPolarHBondContact CB-OG1 3.4Å; P267-T439 HydrophobicContact CG-CG2 3.87Å; P267-T439 WeakPolarHBondContact CG-OG1 3.47Å | ||
| 268 | K | 87.8 | Confident | 77.6 | Confident | 110 Ų | 110 | 61.9 Ų | 61.9 | 48% | 0.478 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 133.5 | 178.6 | -63.2 | -179.9 | -179 | 175.4 | 0 | 111.3 | I290 K291 | K268-I290 CarbonylContact O-C 3.57Å; K268-I290 VanDerWaalsContact O-CA 3.28Å; K268-I290 WeakPolarHBondContact O-CA 3.01Å; K268-K291 PolarHBondContact N-O 2.88Å; K268-K291 PolarHBondContact O-N 3.31Å |
| 269 | I | 89.1 | Confident | 77.4 | Confident | 24 Ų | 24 | 62.5 Ų | 62.5 | 12% | 0.123 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 121.5 | -178.2 | -52.2 | 175.8 | 0 | 0 | 0 | 109.3 | R289 I290 T439 E449 I451 | I269-R289 CarbonylContact C-O 3.59Å; I269-R289 WeakPolarHBondContact CA-O 3.11Å; I269-I290 HydrophobicContact CG1-CG1 4.28Å; I269-T439 HydrophobicContact CD1-CG2 4.13Å; I269-T439 HydrophobicContact CG1-CG2 3.71Å; I269-E449 WeakPolarHBondContact CB-OE1 3.45Å; I269-E449 HydrophobicContact CD1-CG 4.49Å; I269-E449 HydrophobicContact CG1-CG 4.5Å; I269-E449 WeakPolarHBondContact CG1-OE1 3.21Å; I269-E449 PolarHBondContact N-OE1 2.71Å; I269-I451 HydrophobicContact CD1-CB 4.1Å; I269-I451 HydrophobicContact CD1-CG2 3.93Å; I269-I451 HydrophobicContact CG2-CG2 4.05Å |
| 270 | L | 86.8 | Confident | 77.3 | Confident | 78 Ų | 78 | 63.4 Ų | 63.4 | 41% | 0.408 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 115.8 | -177 | -59.2 | -172.9 | 0 | 0 | 0 | 111.9 | R289 K291 L415 | L270-R289 HydrophobicContact CB-CB 4.04Å; L270-R289 PolarHBondContact N-O 3.45Å; L270-K291 HydrophobicContact CD1-CB 4.02Å; L270-K291 HydrophobicContact CD1-CG 4.33Å; L270-K291 HydrophobicContact CD2-CB 4.23Å; L270-K291 HydrophobicContact CG-CB 4.14Å; L270-L415 HydrophobicContact CD1-CD1 3.75Å |
| 271 | G | 76.1 | Confident | 77.3 | Confident | 50 Ų | 50 | 66.8 Ų | 66.8 | 52% | 0.515 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 136.4 | 160.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 272 | P | 70.8 | Confident | 77.9 | Confident | 96 Ų | 96 | 64.4 Ų | 64.4 | 62% | 0.623 | 37% | 0.367 | S | S | * | . | trans | -71 | 149.1 | 174.4 | 30.2 | -33.6 | 0 | 0 | 0 | 111 | Q274 | P272-Q274 HydrophobicContact CG-CG 4.33Å; P272-Q274 PolarHBondContact O-N 2.89Å; P272-Q274 VanDerWaalsContact O-N 3.17Å | ||
| 273 | V | 70.3 | Confident | 78.8 | Confident | 97 Ų | 97 | 66 Ų | 66 | 59% | 0.588 | 38% | 0.38 | S | S | * | . | trans | -53.6 | 118.2 | 167 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | I451 V452 | V273-I451 HydrophobicContact CB-CD1 4.49Å; V273-I451 HydrophobicContact CG2-CD1 3.9Å; V273-I451 HydrophobicContact CG2-CG1 3.92Å; V273-V452 WeakPolarHBondContact CG1-O 3.34Å | ||
| 274 | Q | 75 | Confident | 80.4 | Confident | 96 Ų | 96 | 64.4 Ų | 64.4 | 45% | 0.449 | 37% | 0.37 | S | S | . | . | trans | -128.5 | 130.7 | -178.9 | -81.4 | 172.4 | 92.7 | 0 | 0 | 110.4 | P272 Y276 | P272-Q274 HydrophobicContact CG-CG 4.33Å; P272-Q274 PolarHBondContact O-N 2.89Å; P272-Q274 VanDerWaalsContact O-N 3.17Å; Q274-Y276 HydrophobicContact CB-CE2 4.12Å; Q274-Y276 WeakPolarHBondContact O-CD2 3.45Å | ||
| 275 | N | 86.9 | Confident | 81.7 | Confident | 106 Ų | 106 | 64.3 Ų | 64.3 | 57% | 0.567 | 37% | 0.367 | S | S | * | . | trans | -91.1 | 129.9 | 172.2 | -63.5 | -18.2 | 0 | 0 | 0 | 108.6 | Y454 | N275-Y454 CarbonylContact C-O 3.48Å; N275-Y454 VanDerWaalsContact CA-O 3.29Å; N275-Y454 WeakPolarHBondContact CA-O 3.37Å; N275-Y454 WeakPolarHBondContact OD1-CD2 3.11Å; N275-Y454 PolarHBondContact OD1-N 2.93Å | ||
| 276 | Y | 88.8 | Confident | 82.9 | Confident | 55 Ų | 55 | 62.5 Ų | 62.5 | 22% | 0.216 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 136 | -177.1 | -71.1 | -105.5 | 0 | 0 | 0 | 110 | Q274 F278 V286 I453 Y454 V455 N456 | Q274-Y276 HydrophobicContact CB-CE2 4.12Å; Q274-Y276 WeakPolarHBondContact O-CD2 3.45Å; Y276-F278 HydrophobicContact CD1-CE1 4.08Å; Y276-F278 HydrophobicContact CD1-CE2 4.46Å; Y276-F278 AromaticContact CD1-CZ 3.63Å; Y276-F278 HydrophobicContact CD1-CZ 3.63Å; Y276-F278 HydrophobicContact CG-CE2 4.4Å; Y276-F278 AromaticContact CG-CZ 3.99Å; Y276-F278 HydrophobicContact CG-CZ 3.99Å; Y276-V286 HydrophobicContact CD1-CG2 4.01Å; Y276-V286 HydrophobicContact CD2-CG1 4.21Å; Y276-V286 HydrophobicContact CD2-CG2 3.95Å; Y276-V286 HydrophobicContact CE1-CG1 4.5Å; Y276-V286 HydrophobicContact CE1-CG2 4.25Å; Y276-V286 HydrophobicContact CE2-CG1 3.73Å; Y276-V286 HydrophobicContact CE2-CG2 4.22Å; Y276-V286 HydrophobicContact CG-CG2 3.84Å; Y276-I453 HydrophobicContact CD2-CG2 3.72Å; Y276-I453 HydrophobicContact CE2-CG2 4.05Å; Y276-Y454 PolarHBondContact N-O 3.18Å; Y276-V455 WeakPolarHBondContact O-CA 3.26Å; Y276-N456 PolarHBondContact O-N 2.84Å |
| 277 | T | 89.9 | Confident | 83.5 | Confident | 90 Ų | 90 | 64.2 Ų | 64.2 | 55% | 0.552 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 120.3 | 171.7 | -56.7 | 0 | 0 | 0 | 0 | 108.3 | N456 V458 | T277-N456 WeakPolarHBondContact CA-O 3.21Å; T277-N456 HydrophobicContact CG2-CB 4.34Å; T277-V458 HydrophobicContact CG2-CB 4.42Å; T277-V458 HydrophobicContact CG2-CG2 3.56Å |
| 278 | F | 88.7 | Confident | 83.7 | Confident | 22 Ų | 22 | 64.6 Ų | 64.6 | 10% | 0.096 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 147.4 | -178.9 | -56.9 | -66.1 | 0 | 0 | 0 | 110.3 | Y276 A284 V286 F422 L426 V455 N456 I457 V458 | Y276-F278 HydrophobicContact CD1-CE1 4.08Å; Y276-F278 HydrophobicContact CD1-CE2 4.46Å; Y276-F278 AromaticContact CD1-CZ 3.63Å; Y276-F278 HydrophobicContact CD1-CZ 3.63Å; Y276-F278 HydrophobicContact CG-CE2 4.4Å; Y276-F278 AromaticContact CG-CZ 3.99Å; Y276-F278 HydrophobicContact CG-CZ 3.99Å; F278-A284 HydrophobicContact CB-CB 3.95Å; F278-A284 HydrophobicContact CD1-CB 3.72Å; F278-A284 HydrophobicContact CD2-CB 3.45Å; F278-A284 VanDerWaalsContact CD2-CB 3.45Å; F278-A284 HydrophobicContact CE1-CB 3.99Å; F278-A284 HydrophobicContact CE2-CB 3.73Å; F278-A284 HydrophobicContact CG-CB 3.43Å; F278-A284 VanDerWaalsContact CG-CB 3.43Å; F278-A284 HydrophobicContact CZ-CB 3.98Å; F278-V286 HydrophobicContact CE2-CG2 4.11Å; F278-V286 HydrophobicContact CZ-CG2 3.94Å; F278-F422 HydrophobicContact CE2-CE2 4.49Å; F278-L426 HydrophobicContact CB-CD1 4.43Å; F278-V455 HydrophobicContact CD2-CG1 3.83Å; F278-V455 HydrophobicContact CE2-CG1 3.9Å; F278-N456 PolarHBondContact N-O 2.9Å; F278-I457 HydrophobicContact CB-CD1 4.23Å; F278-I457 HydrophobicContact CD2-CD1 4.35Å; F278-I457 WeakPolarHBondContact O-CA 3.2Å; F278-V458 PolarHBondContact O-N 3.28Å |
| 279 | K | 85.2 | Confident | 83.9 | Confident | 95 Ų | 95 | 64.7 Ų | 64.7 | 41% | 0.413 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 156.9 | 167.3 | -55.9 | 174 | 179.3 | -171.9 | 0 | 111.1 | D281 D282 L426 V458 D460 | K279-D281 PolarHBondContact O-N 2.83Å; K279-D282 HydrophobicContact CB-CB 4.42Å; K279-D282 WeakPolarHBondContact CB-OD2 3.27Å; K279-D282 VanDerWaalsContact CG-OD2 3.29Å; K279-D282 WeakPolarHBondContact CG-OD2 3.42Å; K279-D282 PolarHBondContact N-OD2 2.84Å; K279-D282 PolarHBondContact O-N 3.03Å; K279-L426 WeakPolarHBondContact O-CD1 3.47Å; K279-V458 VanDerWaalsContact CA-O 3.24Å; K279-V458 WeakPolarHBondContact CA-O 3.38Å; K279-D460 IonicContact NZ-OD2 2.75Å; K279-D460 PolarHBondContact NZ-OD2 3.21Å |
| 280 | T | 80.8 | Confident | 83.9 | Confident | 35 Ų | 35 | 63.6 Ų | 63.6 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -33.6 | 177.2 | -59.7 | 0 | 0 | 0 | 0 | 114.5 | L426 V458 | T280-L426 WeakPolarHBondContact O-CB 3.18Å; T280-V458 PolarHBondContact N-O 2.85Å |
| 281 | D | 74.4 | Confident | 84 | Confident | 109 Ų | 109 | 62.7 Ų | 62.7 | 58% | 0.583 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -9.5 | -176.1 | -57.8 | -56.6 | 0 | 0 | 0 | 114.1 | K279 K424 | K279-D281 PolarHBondContact O-N 2.83Å; D281-K424 PolarHBondContact O-NZ 3.29Å |
| 282 | D | 76.6 | Confident | 84.4 | Confident | 67 Ų | 67 | 60.3 Ų | 60.3 | 36% | 0.358 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -69.8 | 157.4 | -175.6 | -72 | -23.4 | 0 | 0 | 0 | 112.6 | K279 A284 K424 L426 | K279-D282 HydrophobicContact CB-CB 4.42Å; K279-D282 WeakPolarHBondContact CB-OD2 3.27Å; K279-D282 VanDerWaalsContact CG-OD2 3.29Å; K279-D282 WeakPolarHBondContact CG-OD2 3.42Å; K279-D282 PolarHBondContact N-OD2 2.84Å; K279-D282 PolarHBondContact O-N 3.03Å; D282-A284 PolarHBondContact O-N 3.44Å; D282-A284 VanDerWaalsContact O-N 3.11Å; D282-K424 VanDerWaalsContact C-NZ 3.3Å; D282-K424 WeakPolarHBondContact O-CE 3.41Å; D282-K424 PolarHBondContact O-NZ 2.03Å; D282-K424 VanDerWaalsContact O-NZ 3.1Å; D282-L426 VanDerWaalsContact O-CD1 3.32Å; D282-L426 WeakPolarHBondContact O-CD1 3.48Å |
| 283 | S | 81.3 | Confident | 84.9 | Confident | 99 Ų | 99 | 56.1 Ų | 56.1 | 69% | 0.692 | 30% | 0.296 | S | S | * | . | trans | -79.4 | 82.7 | 166.9 | 53.5 | 0 | 0 | 0 | 0 | 110.7 | T285 | S283-T285 PolarHBondContact O-N 3.06Š| ||
| 284 | A | 87.9 | Confident | 85.2 | Confident | 3 Ų | 3 | 52 Ų | 52 | 3% | 0.025 | 27% | 0.271 | C | S | . | . | trans | -68.1 | 111.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F278 D282 F422 L426 | F278-A284 HydrophobicContact CB-CB 3.95Å; F278-A284 HydrophobicContact CD1-CB 3.72Å; F278-A284 HydrophobicContact CD2-CB 3.45Å; F278-A284 VanDerWaalsContact CD2-CB 3.45Å; F278-A284 HydrophobicContact CE1-CB 3.99Å; F278-A284 HydrophobicContact CE2-CB 3.73Å; F278-A284 HydrophobicContact CG-CB 3.43Å; F278-A284 VanDerWaalsContact CG-CB 3.43Å; F278-A284 HydrophobicContact CZ-CB 3.98Å; D282-A284 PolarHBondContact O-N 3.44Å; D282-A284 VanDerWaalsContact O-N 3.11Å; A284-F422 HydrophobicContact CB-CB 3.87Å; A284-F422 HydrophobicContact CB-CD2 4.24Å; A284-F422 HydrophobicContact CB-CG 4.19Å; A284-F422 PolarHBondContact O-N 2.76Å; A284-L426 HydrophobicContact CB-CD1 3.57Å; A284-L426 HydrophobicContact CB-CD2 3.95Å; A284-L426 HydrophobicContact CB-CG 4.43Å | ||
| 285 | T | 89.5 | Confident | 85.3 | Confident | 42 Ų | 42 | 53 Ų | 53 | 26% | 0.258 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 130.5 | 172.3 | -58.6 | 0 | 0 | 0 | 0 | 109.3 | S283 I287 K419 L420 | S283-T285 PolarHBondContact O-N 3.06Å; T285-I287 HydrophobicContact CG2-CG1 4.44Å; T285-K419 HydrophobicContact CG2-CB 4.15Å; T285-L420 WeakPolarHBondContact CA-O 3.31Å |
| 286 | V | 90.8 | Very high | 84.8 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 142 | 173.3 | 176.6 | 0 | 0 | 0 | 0 | 108.5 | Y276 F278 W301 K419 L420 F422 I453 V455 | Y276-V286 HydrophobicContact CD1-CG2 4.01Å; Y276-V286 HydrophobicContact CD2-CG1 4.21Å; Y276-V286 HydrophobicContact CD2-CG2 3.95Å; Y276-V286 HydrophobicContact CE1-CG1 4.5Å; Y276-V286 HydrophobicContact CE1-CG2 4.25Å; Y276-V286 HydrophobicContact CE2-CG1 3.73Å; Y276-V286 HydrophobicContact CE2-CG2 4.22Å; Y276-V286 HydrophobicContact CG-CG2 3.84Å; F278-V286 HydrophobicContact CE2-CG2 4.11Å; F278-V286 HydrophobicContact CZ-CG2 3.94Å; V286-W301 HydrophobicContact CB-CH2 4.36Å; V286-W301 HydrophobicContact CG1-CH2 3.7Å; V286-W301 HydrophobicContact CG1-CZ3 3.98Å; V286-K419 CarbonylContact O-C 3.58Å; V286-K419 WeakPolarHBondContact O-CA 3.34Å; V286-L420 HydrophobicContact CB-CB 4.46Å; V286-L420 PolarHBondContact N-O 3.42Å; V286-L420 PolarHBondContact O-N 2.82Å; V286-F422 HydrophobicContact CB-CE2 4.4Å; V286-F422 HydrophobicContact CG2-CE2 3.77Å; V286-F422 HydrophobicContact CG2-CZ 4.4Å; V286-I453 HydrophobicContact CG1-CD1 3.9Å; V286-I453 HydrophobicContact CG1-CG2 4.23Å; V286-V455 HydrophobicContact CG2-CG2 4.49Å |
| 287 | I | 90.6 | Very high | 84.7 | Confident | 74 Ų | 74 | 52.8 Ų | 52.8 | 38% | 0.379 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 133.1 | -177.4 | -52.1 | -173.3 | 0 | 0 | 0 | 109.2 | T285 M417 K419 | T285-I287 HydrophobicContact CG2-CG1 4.44Å; I287-M417 HydrophobicContact CG2-CG 3.65Å; I287-M417 HydrophobicContact CG2-SD 3.67Å; I287-K419 HydrophobicContact CD1-CG 4.49Å; I287-K419 HydrophobicContact CG1-CG 4.11Å; I287-K419 HydrophobicContact CG2-CG 4.25Å |
| 288 | A | 90.8 | Very high | 84.6 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 7% | 0.066 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 143.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | I290 W301 M417 T418 V437 | A288-I290 HydrophobicContact CB-CD1 4.27Å; A288-W301 HydrophobicContact CB-CH2 3.94Å; A288-W301 HydrophobicContact CB-CZ2 3.8Å; A288-M417 WeakPolarHBondContact O-CA 3.21Å; A288-T418 HydrophobicContact CB-CG2 3.88Å; A288-T418 PolarHBondContact N-O 2.78Å; A288-T418 PolarHBondContact O-N 3.43Å; A288-V437 HydrophobicContact CB-CG1 3.78Å; A288-V437 HydrophobicContact CB-CG2 4.31Å |
| 289 | R | 91.4 | Very high | 84.6 | Confident | 112 Ų | 112 | 50.9 Ų | 50.9 | 42% | 0.423 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 134.7 | 179.4 | -67.5 | 175.3 | -177.6 | 170.8 | 0.8 | 107.7 | I269 L270 L415 F416 M417 | I269-R289 CarbonylContact C-O 3.59Å; I269-R289 WeakPolarHBondContact CA-O 3.11Å; L270-R289 HydrophobicContact CB-CB 4.04Å; L270-R289 PolarHBondContact N-O 3.45Å; R289-L415 HydrophobicContact CB-CD1 4.12Å; R289-F416 CarbonylContact C-O 3.56Å; R289-F416 WeakPolarHBondContact CA-O 3.42Å; R289-M417 HydrophobicContact CG-CG 4.47Å; R289-M417 HydrophobicContact CG-SD 4.46Å |
| 290 | I | 89.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 127.6 | -176.5 | -62.1 | 91 | 0 | 0 | 0 | 108.4 | P267 K268 I269 A288 I299 L415 F416 T418 T439 | P267-I290 HydrophobicContact CB-CG2 3.55Å; K268-I290 CarbonylContact O-C 3.57Å; K268-I290 VanDerWaalsContact O-CA 3.28Å; K268-I290 WeakPolarHBondContact O-CA 3.01Å; I269-I290 HydrophobicContact CG1-CG1 4.28Å; A288-I290 HydrophobicContact CB-CD1 4.27Å; I290-I299 HydrophobicContact CD1-CD1 3.95Å; I290-I299 HydrophobicContact CD1-CG1 4.33Å; I290-I299 HydrophobicContact CG1-CD1 4.36Å; I290-L415 CarbonylContact O-C 3.52Å; I290-F416 HydrophobicContact CB-CB 4.36Å; I290-F416 PolarHBondContact N-O 2.82Å; I290-F416 PolarHBondContact O-N 2.8Å; I290-T418 HydrophobicContact CD1-CG2 3.83Å; I290-T439 HydrophobicContact CG1-CG2 4.37Å; I290-T439 HydrophobicContact CG2-CG2 4.07Å |
| 291 | K | 88.3 | Confident | 85.5 | Confident | 59 Ų | 59 | 47.4 Ų | 47.4 | 26% | 0.257 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 131 | 173.1 | -138.8 | -172.3 | -172.3 | -165.6 | 0 | 109.9 | P267 K268 L270 E413 Q414 | P267-K291 CarbonylContact C-O 3.51Å; P267-K291 WeakPolarHBondContact CA-O 3.44Å; K268-K291 PolarHBondContact N-O 2.88Å; K268-K291 PolarHBondContact O-N 3.31Å; L270-K291 HydrophobicContact CD1-CB 4.02Å; L270-K291 HydrophobicContact CD1-CG 4.33Å; L270-K291 HydrophobicContact CD2-CB 4.23Å; L270-K291 HydrophobicContact CG-CB 4.14Å; K291-E413 HydrophobicContact CD-CB 4.18Å; K291-E413 WeakPolarHBondContact CD-OE2 3.39Å; K291-E413 WeakPolarHBondContact CE-OE2 3.37Å; K291-E413 HydrophobicContact CG-CB 4.22Å; K291-E413 IonicContact NZ-OE2 3.4Å; K291-E413 PolarHBondContact NZ-OE2 2.74Å; K291-Q414 WeakPolarHBondContact CA-O 3.27Å |
| 292 | C | 85.1 | Confident | 86.4 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 145.7 | 177.3 | -165.9 | 0 | 0 | 0 | 0 | 111.9 | A265 P267 C294 Q414 F416 | A265-C292 PolarHBondContact O-SG 2.94Å; P267-C292 HydrophobicContact CB-CB 3.99Å; C292-C294 HydrophobicContact CB-CB 4.36Å; C292-C294 WeakPolarHBondContact CB-SG 3.38Å; C292-C294 PolarHBondContact O-N 3.07Å; C292-C294 WeakPolarHBondContact SG-CB 3.44Å; C292-C294 PolarHBondContact SG-N 2.65Å; C292-C294 CovalentContact SG-SG 2.04Å; C292-C294 PolarHBondContact SG-SG 3.08Å; C292-Q414 PolarHBondContact N-O 3.44Å; C292-Q414 PolarHBondContact O-N 2.83Å; C292-F416 HydrophobicContact CB-CD2 4.32Å; C292-F416 HydrophobicContact CB-CE2 3.96Å |
| 293 | A | 80.4 | Confident | 87.1 | Confident | 7 Ų | 7 | 39.1 Ų | 39.1 | 6% | 0.058 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -86.8 | 16.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P263 S264 K411 | P263-A293 HydrophobicContact CB-CB 3.87Å; P263-A293 HydrophobicContact CG-CB 4.1Å; P263-A293 VanDerWaalsContact O-CB 3.26Å; P263-A293 WeakPolarHBondContact O-CB 3.47Å; S264-A293 WeakPolarHBondContact O-CB 3.38Å; S264-A293 PolarHBondContact O-N 3.16Å; A293-K411 VanDerWaalsContact O-CD 3.28Å; A293-K411 WeakPolarHBondContact O-CD 3.44Å; A293-K411 WeakPolarHBondContact O-CG 3.31Å |
| 294 | C | 77.9 | Confident | 87.7 | Confident | 11 Ų | 11 | 37.1 Ų | 37.1 | 7% | 0.074 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -93.1 | 161.4 | 176.3 | 55.8 | 0 | 0 | 0 | 0 | 111.8 | C292 Q414 | C292-C294 HydrophobicContact CB-CB 4.36Å; C292-C294 WeakPolarHBondContact CB-SG 3.38Å; C292-C294 PolarHBondContact O-N 3.07Å; C292-C294 WeakPolarHBondContact SG-CB 3.44Å; C292-C294 PolarHBondContact SG-N 2.65Å; C292-C294 CovalentContact SG-SG 2.04Å; C292-C294 PolarHBondContact SG-SG 3.08Å; C294-Q414 PolarHBondContact O-NE2 2.92Å |
| 295 | D | 75.4 | Confident | 87.8 | Confident | 116 Ų | 116 | 37.5 Ų | 37.5 | 62% | 0.62 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -69.3 | -45.1 | 175.1 | -54.5 | -60.8 | 0 | 0 | 0 | 110.9 | K411 F416 | D295-K411 WeakPolarHBondContact OD1-CE 3.39Å; D295-K411 IonicContact OD1-NZ 3.81Å; D295-K411 PolarHBondContact OD1-NZ 2.77Å; D295-K411 IonicContact OD2-NZ 2.74Å; D295-K411 PolarHBondContact OD2-NZ 3.4Å; D295-F416 WeakPolarHBondContact O-CZ 3.49Å |
| 296 | E | 77.3 | Confident | 87.7 | Confident | 148 Ų | 148 | 38.6 Ų | 38.6 | 69% | 0.692 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -149.6 | 106.4 | -176.3 | -171.4 | 163.9 | -147.6 | 0 | 0 | 109.4 | ||
| 297 | P | 86.1 | Confident | 87.4 | Confident | 10 Ų | 10 | 43.9 Ų | 43.9 | 7% | 0.065 | 22% | 0.221 | C | C | . | . | trans | -76 | 141 | 172.5 | 28.3 | -30.9 | 0 | 0 | 0 | 110.2 | P267 I299 F416 | P267-P297 HydrophobicContact CB-CB 3.98Å; P267-P297 HydrophobicContact CG-CB 4.22Å; P297-I299 HydrophobicContact CB-CG1 4.38Å; P297-I299 HydrophobicContact CG-CD1 3.84Å; P297-I299 HydrophobicContact CG-CG1 4.23Å; P297-I299 PolarHBondContact O-N 3.33Å; P297-F416 VanDerWaalsContact CD-CE1 3.43Å; P297-F416 HydrophobicContact CG-CB 4.37Å; P297-F416 HydrophobicContact CG-CD1 4.04Å; P297-F416 HydrophobicContact CG-CD2 3.65Å; P297-F416 HydrophobicContact CG-CE1 4.23Å; P297-F416 HydrophobicContact CG-CE2 3.86Å; P297-F416 HydrophobicContact CG-CG 3.74Å; P297-F416 HydrophobicContact CG-CZ 4.15Å | ||
| 298 | V | 87.3 | Confident | 87 | Confident | 41 Ų | 41 | 43.7 Ų | 43.7 | 25% | 0.248 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 123.8 | 167.3 | 174.6 | 0 | 0 | 0 | 0 | 107.2 | Q300 T439 M440 L442 | V298-Q300 HydrophobicContact CG1-CG 4.28Å; V298-T439 CarbonylContact O-C 3.57Å; V298-T439 WeakPolarHBondContact O-CA 3.03Å; V298-T439 PolarHBondContact O-OG1 2.85Å; V298-T439 VanDerWaalsContact O-OG1 3.06Å; V298-M440 HydrophobicContact CB-CG 3.76Å; V298-M440 HydrophobicContact CG1-CG 4.12Å; V298-M440 HydrophobicContact CG2-CG 4.49Å; V298-M440 PolarHBondContact N-O 2.83Å; V298-M440 PolarHBondContact O-N 2.88Å; V298-L442 HydrophobicContact CG2-CD2 3.55Å; V298-L442 HydrophobicContact CG2-CG 3.87Å |
| 299 | I | 90.5 | Very high | 86.7 | Confident | 31 Ų | 31 | 45.7 Ų | 45.7 | 16% | 0.159 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 127.3 | 178.5 | -66.5 | 159.9 | 0 | 0 | 0 | 107.7 | I290 P297 T351 F416 T418 V437 M438 | I290-I299 HydrophobicContact CD1-CD1 3.95Å; I290-I299 HydrophobicContact CD1-CG1 4.33Å; I290-I299 HydrophobicContact CG1-CD1 4.36Å; P297-I299 HydrophobicContact CB-CG1 4.38Å; P297-I299 HydrophobicContact CG-CD1 3.84Å; P297-I299 HydrophobicContact CG-CG1 4.23Å; P297-I299 PolarHBondContact O-N 3.33Å; I299-T351 HydrophobicContact CD1-CG2 3.91Å; I299-F416 HydrophobicContact CD1-CB 4.1Å; I299-T418 HydrophobicContact CG2-CG2 3.79Å; I299-V437 HydrophobicContact CG2-CG2 4Å; I299-M438 WeakPolarHBondContact CA-O 3.08Å |
| 300 | Q | 90.8 | Very high | 86.4 | Confident | 53 Ų | 53 | 44.3 Ų | 44.3 | 25% | 0.248 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 137.6 | -179.3 | -69.5 | -176 | -20.4 | 0 | 0 | 111 | V298 V437 M438 | V298-Q300 HydrophobicContact CG1-CG 4.28Å; Q300-V437 WeakPolarHBondContact O-CA 3.38Å; Q300-M438 PolarHBondContact N-O 3.09Å; Q300-M438 PolarHBondContact O-N 3.3Å |
| 301 | W | 93.3 | Very high | 86.1 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 133.2 | 171.5 | -73.4 | 92.7 | 0 | 0 | 0 | 109.8 | V286 A288 L338 V348 T418 L420 I436 V437 I453 | V286-W301 HydrophobicContact CB-CH2 4.36Å; V286-W301 HydrophobicContact CG1-CH2 3.7Å; V286-W301 HydrophobicContact CG1-CZ3 3.98Å; A288-W301 HydrophobicContact CB-CH2 3.94Å; A288-W301 HydrophobicContact CB-CZ2 3.8Å; W301-L338 HydrophobicContact CB-CB 4.21Å; W301-L338 HydrophobicContact CB-CD1 4.13Å; W301-L338 WeakPolarHBondContact O-CB 3.49Å; W301-L338 PolarHBondContact O-N 3.33Å; W301-V348 HydrophobicContact CB-CG2 3.86Å; W301-V348 HydrophobicContact CG-CG2 4Å; W301-T418 HydrophobicContact CZ2-CG2 3.83Å; W301-T418 PolarHBondContact NE1-OG1 3.43Å; W301-L420 HydrophobicContact CB-CD1 4.14Å; W301-L420 HydrophobicContact CD2-CB 3.85Å; W301-L420 HydrophobicContact CD2-CD1 4.32Å; W301-L420 HydrophobicContact CD2-CD2 4.17Å; W301-L420 HydrophobicContact CD2-CG 4.34Å; W301-L420 HydrophobicContact CE3-CB 3.93Å; W301-L420 HydrophobicContact CE3-CD2 3.65Å; W301-L420 HydrophobicContact CE3-CG 4.27Å; W301-L420 HydrophobicContact CG-CB 4.43Å; W301-L420 HydrophobicContact CG-CD1 4.13Å; W301-L420 HydrophobicContact CH2-CB 4.18Å; W301-L420 HydrophobicContact CZ2-CB 4.07Å; W301-L420 HydrophobicContact CZ3-CB 4.1Å; W301-L420 HydrophobicContact CZ3-CD2 4.09Å; W301-I436 WeakPolarHBondContact CA-O 3.45Å; W301-V437 HydrophobicContact CD2-CB 3.89Å; W301-V437 HydrophobicContact CD2-CG2 4.03Å; W301-V437 HydrophobicContact CE3-CB 3.74Å; W301-V437 HydrophobicContact CE3-CG2 4.39Å; W301-V437 HydrophobicContact CG-CG2 4.48Å; W301-V437 HydrophobicContact CH2-CB 3.95Å; W301-V437 HydrophobicContact CH2-CG1 4.08Å; W301-V437 HydrophobicContact CH2-CG2 4.43Å; W301-V437 HydrophobicContact CZ2-CB 4.11Å; W301-V437 HydrophobicContact CZ2-CG1 4.49Å; W301-V437 HydrophobicContact CZ2-CG2 4.09Å; W301-V437 HydrophobicContact CZ3-CB 3.78Å; W301-V437 HydrophobicContact CZ3-CG1 4.16Å; W301-I453 HydrophobicContact CH2-CD1 4.18Å; W301-I453 HydrophobicContact CZ3-CD1 3.97Å |
| 302 | L | 92.9 | Very high | 86 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 144.3 | -175.9 | -52.2 | 179.1 | 0 | 0 | 0 | 110.4 | I321 L323 Y335 V336 I337 Y435 I436 M438 | L302-I321 HydrophobicContact CD1-CG2 4.35Å; L302-I321 HydrophobicContact CD2-CG2 3.96Å; L302-L323 HydrophobicContact CD1-CD2 4.11Å; L302-Y335 HydrophobicContact CB-CD1 3.97Å; L302-Y335 HydrophobicContact CB-CG 4.45Å; L302-V336 WeakPolarHBondContact CA-O 3.44Å; L302-I337 HydrophobicContact CD2-CB 4.27Å; L302-I337 HydrophobicContact CD2-CG1 3.78Å; L302-Y435 CarbonylContact O-C 3.47Å; L302-Y435 VanDerWaalsContact O-CA 3.31Å; L302-Y435 WeakPolarHBondContact O-CA 3.4Å; L302-I436 HydrophobicContact CB-CB 4.26Å; L302-I436 HydrophobicContact CD1-CG2 4.27Å; L302-I436 PolarHBondContact N-O 3.03Å; L302-I436 PolarHBondContact O-N 3.09Å; L302-M438 HydrophobicContact CD1-CE 3.84Å |
| 303 | K | 92.7 | Very high | 86 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.009 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 138.8 | 161.1 | -166.6 | -158.3 | 171.6 | -166.5 | 0 | 108.7 | E309 Y313 Y335 V336 L338 Y435 | K303-E309 IonicContact NZ-OE2 3.74Å; K303-Y313 PolarHBondContact NZ-OH 2.99Å; K303-Y335 CarbonylContact O-C 3.51Å; K303-Y335 VanDerWaalsContact O-CA 3.3Å; K303-Y335 WeakPolarHBondContact O-CA 3.34Å; K303-V336 HydrophobicContact CB-CG2 4.29Å; K303-V336 PolarHBondContact N-O 2.04Å; K303-V336 PolarHBondContact O-N 3.4Å; K303-L338 HydrophobicContact CB-CD1 4.27Å; K303-L338 HydrophobicContact CB-CD2 4.16Å; K303-L338 HydrophobicContact CB-CG 4.35Å; K303-Y435 HydrophobicContact CB-CD1 4.21Å; K303-Y435 HydrophobicContact CB-CE1 3.92Å; K303-Y435 HydrophobicContact CG-CD1 4.31Å; K303-Y435 HydrophobicContact CG-CE1 3.84Å; K303-Y435 HydrophobicContact CG-CE2 4.08Å |
| 304 | R | 92.3 | Very high | 86.1 | Confident | 57 Ų | 57 | 56.4 Ų | 56.4 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 140.2 | 164.7 | -174.3 | -174.6 | -166.1 | -101.1 | 1.9 | 109.9 | E306 E333 Y335 K434 | R304-E306 WeakPolarHBondContact CD-OE1 3.45Å; R304-E306 IonicContact CZ-OE1 3.85Å; R304-E306 IonicContact NH1-OE1 3.66Å; R304-E306 PolarHBondContact NH1-OE1 2.89Å; R304-E306 IonicContact NH1-OE2 3.55Å; R304-E306 PolarHBondContact NH1-OE2 2.85Å; R304-E333 IonicContact CZ-OE1 2.7Å; R304-E333 VanDerWaalsContact CZ-OE1 3.3Å; R304-E333 IonicContact NE-OE1 3.77Å; R304-E333 PolarHBondContact NE-OE1 3.46Å; R304-E333 IonicContact NH2-OE1 3.61Å; R304-E333 PolarHBondContact NH2-OE1 3.02Å; R304-Y335 HydrophobicContact CB-CD1 4.16Å; R304-Y335 HydrophobicContact CB-CE1 3.7Å; R304-Y335 HydrophobicContact CG-CE1 4.38Å; R304-K434 HydrophobicContact CB-CB 3.93Å; R304-K434 WeakPolarHBondContact CB-O 3.42Å; R304-K434 PolarHBondContact N-O 2.85Å |
| 305 | V | 91.2 | Very high | 86.4 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 6% | 0.061 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -89.1 | 127.2 | 169.4 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | E309 E310 Y313 V334 V336 | V305-E309 HydrophobicContact CG1-CB 4.14Å; V305-E310 HydrophobicContact CG1-CB 4.39Å; V305-E310 HydrophobicContact CG1-CG 3.64Å; V305-Y313 HydrophobicContact CB-CD2 4.35Å; V305-Y313 HydrophobicContact CG1-CD2 3.68Å; V305-Y313 HydrophobicContact CG1-CE2 4.06Å; V305-Y313 HydrophobicContact CG2-CD2 3.92Å; V305-Y313 HydrophobicContact CG2-CE2 4.26Å; V305-Y313 HydrophobicContact CG2-CG 4.41Å; V305-V334 HydrophobicContact CG2-CG1 4.34Å; V305-V334 PolarHBondContact N-O 2.88Å; V305-V336 HydrophobicContact CG2-CB 4.4Å; V305-V336 HydrophobicContact CG2-CG1 3.67Å; V305-V336 HydrophobicContact CG2-CG2 4.05Å |
| 306 | E | 87.8 | Confident | 86.9 | Confident | 65 Ų | 65 | 59.7 Ų | 59.7 | 30% | 0.304 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -79 | 145.5 | 175.3 | -66.3 | -56.4 | 133.4 | 0 | 0 | 111.2 | R304 G308 E309 | R304-E306 WeakPolarHBondContact CD-OE1 3.45Å; R304-E306 IonicContact CZ-OE1 3.85Å; R304-E306 IonicContact NH1-OE1 3.66Å; R304-E306 PolarHBondContact NH1-OE1 2.89Å; R304-E306 IonicContact NH1-OE2 3.55Å; R304-E306 PolarHBondContact NH1-OE2 2.85Å; E306-G308 PolarHBondContact O-N 3.38Å; E306-G308 VanDerWaalsContact O-N 3.09Å; E306-E309 HydrophobicContact CB-CG 4.11Å; E306-E309 WeakPolarHBondContact O-CB 3.32Å; E306-E309 PolarHBondContact O-N 2.87Å |
| 307 | P | 83.6 | Confident | 87.2 | Confident | 113 Ų | 113 | 55 Ų | 55 | 73% | 0.734 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 117.1 | -178.4 | -26.7 | 35.5 | 0 | 0 | 0 | 112.5 | ||
| 308 | G | 82.3 | Confident | 87.2 | Confident | 70 Ų | 70 | 55 Ų | 55 | 72% | 0.722 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.4 | -18.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | E306 E310 | E306-G308 PolarHBondContact O-N 3.38Å; E306-G308 VanDerWaalsContact O-N 3.09Å; G308-E310 PolarHBondContact O-N 2.85Å |
| 309 | E | 84.9 | Confident | 87.2 | Confident | 50 Ų | 50 | 56 Ų | 56 | 23% | 0.234 | 32% | 0.317 | C | S | . | . | trans | -76.9 | -11.1 | 171.9 | -65.4 | -164.7 | 139.2 | 0 | 0 | 112.9 | K303 V305 E306 L311 M312 Y313 | K303-E309 IonicContact NZ-OE2 3.74Å; V305-E309 HydrophobicContact CG1-CB 4.14Å; E306-E309 HydrophobicContact CB-CG 4.11Å; E306-E309 WeakPolarHBondContact O-CB 3.32Å; E306-E309 PolarHBondContact O-N 2.87Å; E309-L311 VanDerWaalsContact C-N 3.31Å; E309-L311 PolarHBondContact O-N 2.94Å; E309-M312 HydrophobicContact CB-CE 3.84Å; E309-M312 HydrophobicContact CG-CE 3.98Å; E309-M312 WeakPolarHBondContact O-CB 3.45Å; E309-M312 PolarHBondContact O-N 2.8Å; E309-Y313 HydrophobicContact CB-CD2 4Å; E309-Y313 HydrophobicContact CB-CE2 3.81Å; E309-Y313 WeakPolarHBondContact O-CD2 3.09Å; E309-Y313 PolarHBondContact O-N 3.45Å; E309-Y313 WeakPolarHBondContact OE2-CE2 3.42Å | ||
| 310 | E | 83.8 | Confident | 87 | Confident | 83 Ų | 83 | 57.4 Ų | 57.4 | 39% | 0.388 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -51.2 | -42.2 | -172.7 | -75.4 | -165 | -114.3 | 0 | 0 | 115.3 | V305 G308 Y313 E314 K320 | V305-E310 HydrophobicContact CG1-CB 4.39Å; V305-E310 HydrophobicContact CG1-CG 3.64Å; G308-E310 PolarHBondContact O-N 2.85Å; E310-Y313 PolarHBondContact O-N 3.41Å; E310-E314 WeakPolarHBondContact O-CG 3.47Å; E310-E314 PolarHBondContact O-N 3.19Å; E310-E314 VanDerWaalsContact O-N 3.08Å; E310-K320 IonicContact OE2-NZ 3.3Å; E310-K320 PolarHBondContact OE2-NZ 2.75Å |
| 311 | L | 83.6 | Confident | 86.8 | Confident | 103 Ų | 103 | 57 Ų | 57 | 54% | 0.539 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -71.7 | -33.5 | -178.5 | -170.7 | 71.5 | 0 | 0 | 0 | 112 | E309 E314 Q315 | E309-L311 VanDerWaalsContact C-N 3.31Å; E309-L311 PolarHBondContact O-N 2.94Å; L311-E314 PolarHBondContact O-N 2.69Å; L311-Q315 WeakPolarHBondContact O-CB 3.19Å; L311-Q315 VanDerWaalsContact O-CG 3.25Å; L311-Q315 WeakPolarHBondContact O-CG 3.45Å; L311-Q315 PolarHBondContact O-N 3.25Å |
| 312 | M | 85.8 | Confident | 86.4 | Confident | 99 Ų | 99 | 61.5 Ų | 61.5 | 49% | 0.488 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 174.6 | 167.5 | -177.4 | 61.1 | 0 | 0 | 110.3 | E309 S316 | E309-M312 HydrophobicContact CB-CE 3.84Å; E309-M312 HydrophobicContact CG-CE 3.98Å; E309-M312 WeakPolarHBondContact O-CB 3.45Å; E309-M312 PolarHBondContact O-N 2.8Å; M312-S316 WeakPolarHBondContact O-CB 3.06Å; M312-S316 PolarHBondContact O-N 3.06Å; M312-S316 VanDerWaalsContact O-N 3.08Å; M312-S316 PolarHBondContact O-OG 2.68Å |
| 313 | Y | 86.1 | Confident | 86 | Confident | 14 Ų | 14 | 62.2 Ų | 62.2 | 6% | 0.055 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 177.5 | -76 | -65.8 | 0 | 0 | 0 | 112 | K303 V305 E309 E310 S316 G317 A318 V336 W341 | K303-Y313 PolarHBondContact NZ-OH 2.99Å; V305-Y313 HydrophobicContact CB-CD2 4.35Å; V305-Y313 HydrophobicContact CG1-CD2 3.68Å; V305-Y313 HydrophobicContact CG1-CE2 4.06Å; V305-Y313 HydrophobicContact CG2-CD2 3.92Å; V305-Y313 HydrophobicContact CG2-CE2 4.26Å; V305-Y313 HydrophobicContact CG2-CG 4.41Å; E309-Y313 HydrophobicContact CB-CD2 4Å; E309-Y313 HydrophobicContact CB-CE2 3.81Å; E309-Y313 WeakPolarHBondContact O-CD2 3.09Å; E309-Y313 PolarHBondContact O-N 3.45Å; E309-Y313 WeakPolarHBondContact OE2-CE2 3.42Å; E310-Y313 PolarHBondContact O-N 3.41Å; Y313-S316 PolarHBondContact O-N 3.5Å; Y313-S316 PolarHBondContact O-OG 2.79Å; Y313-G317 PolarHBondContact O-N 2.73Å; Y313-A318 HydrophobicContact CD1-CB 4.04Å; Y313-A318 WeakPolarHBondContact O-CB 3.07Å; Y313-A318 PolarHBondContact O-N 2.83Å; Y313-V336 HydrophobicContact CD1-CG1 4.28Å; Y313-V336 HydrophobicContact CD1-CG2 4Å; Y313-V336 HydrophobicContact CE1-CG2 3.98Å; Y313-V336 HydrophobicContact CG-CG1 4.21Å; Y313-V336 HydrophobicContact CG-CG2 4.48Å; Y313-W341 HydrophobicContact CD1-CH2 4.2Å; Y313-W341 AromaticContact CD1-CZ2 3.89Å; Y313-W341 HydrophobicContact CD1-CZ2 3.89Å; Y313-W341 AromaticContact CE1-CH2 3.96Å; Y313-W341 HydrophobicContact CE1-CH2 3.96Å; Y313-W341 AromaticContact CE1-CZ2 3.62Å; Y313-W341 HydrophobicContact CE1-CZ2 3.62Å |
| 314 | E | 82.7 | Confident | 85.1 | Confident | 105 Ų | 105 | 64.4 Ų | 64.4 | 49% | 0.491 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.4 | -50 | 173.7 | -75.1 | 169.8 | 178 | 0 | 0 | 112.6 | E310 L311 S316 G317 K320 | E310-E314 WeakPolarHBondContact O-CG 3.47Å; E310-E314 PolarHBondContact O-N 3.19Å; E310-E314 VanDerWaalsContact O-N 3.08Å; L311-E314 PolarHBondContact O-N 2.69Å; E314-S316 PolarHBondContact O-N 3.45Å; E314-G317 PolarHBondContact O-N 2.75Å; E314-K320 HydrophobicContact CG-CD 4.37Å; E314-K320 WeakPolarHBondContact OE1-CE 3.45Å; E314-K320 IonicContact OE1-NZ 2.76Å; E314-K320 PolarHBondContact OE1-NZ 2.91Å |
| 315 | Q | 84.9 | Confident | 84.2 | Confident | 152 Ų | 152 | 68.2 Ų | 68.2 | 71% | 0.71 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.1 | -26.4 | 178.4 | -72.7 | 174.8 | 1.4 | 0 | 0 | 113.1 | L311 G317 | L311-Q315 WeakPolarHBondContact O-CB 3.19Å; L311-Q315 VanDerWaalsContact O-CG 3.25Å; L311-Q315 WeakPolarHBondContact O-CG 3.45Å; L311-Q315 PolarHBondContact O-N 3.25Å; Q315-G317 VanDerWaalsContact C-N 3.34Å |
| 316 | S | 84.6 | Confident | 83.6 | Confident | 43 Ų | 43 | 68.6 Ų | 68.6 | 30% | 0.301 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -10.5 | 175.4 | 76.1 | 0 | 0 | 0 | 0 | 114.5 | M312 Y313 E314 W341 | M312-S316 WeakPolarHBondContact O-CB 3.06Å; M312-S316 PolarHBondContact O-N 3.06Å; M312-S316 VanDerWaalsContact O-N 3.08Å; M312-S316 PolarHBondContact O-OG 2.68Å; Y313-S316 PolarHBondContact O-N 3.5Å; Y313-S316 PolarHBondContact O-OG 2.79Å; E314-S316 PolarHBondContact O-N 3.45Å; S316-W341 WeakPolarHBondContact O-CB 3.41Å |
| 317 | G | 84.5 | Confident | 83.2 | Confident | 50 Ų | 50 | 73.5 Ų | 73.5 | 52% | 0.515 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 19.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y313 E314 Q315 | Y313-G317 PolarHBondContact O-N 2.73Å; E314-G317 PolarHBondContact O-N 2.75Å; Q315-G317 VanDerWaalsContact C-N 3.34Å |
| 318 | A | 86.7 | Confident | 83.1 | Confident | 10 Ų | 10 | 75.3 Ų | 75.3 | 8% | 0.083 | 42% | 0.415 | C | S | . | . | trans | -70.9 | 129.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y313 K320 V336 W341 | Y313-A318 HydrophobicContact CD1-CB 4.04Å; Y313-A318 WeakPolarHBondContact O-CB 3.07Å; Y313-A318 PolarHBondContact O-N 2.83Å; A318-K320 PolarHBondContact O-N 3.11Å; A318-K320 VanDerWaalsContact O-N 3.13Å; A318-V336 HydrophobicContact CB-CB 4.19Å; A318-V336 HydrophobicContact CB-CG1 3.87Å; A318-W341 HydrophobicContact CB-CD2 3.6Å; A318-W341 HydrophobicContact CB-CE3 3.49Å; A318-W341 VanDerWaalsContact CB-CE3 3.49Å; A318-W341 HydrophobicContact CB-CG 4.05Å; A318-W341 HydrophobicContact CB-CH2 4.35Å; A318-W341 HydrophobicContact CB-CZ2 4.45Å; A318-W341 HydrophobicContact CB-CZ3 3.87Å | ||
| 319 | T | 86.5 | Confident | 83 | Confident | 63 Ų | 63 | 77.8 Ų | 77.8 | 39% | 0.387 | 42% | 0.417 | S | S | . | . | trans | -74.2 | 105.9 | 178.3 | -50.7 | 0 | 0 | 0 | 0 | 110 | V336 I337 S340 | T319-V336 WeakPolarHBondContact O-CA 3.41Å; T319-I337 HydrophobicContact CG2-CD1 3.89Å; T319-I337 PolarHBondContact O-N 2.89Å; T319-I337 VanDerWaalsContact O-N 3.12Å; T319-S340 PolarHBondContact N-OG 3.02Å; T319-S340 PolarHBondContact OG1-OG 2.92Å | ||
| 320 | K | 85.8 | Confident | 82.9 | Confident | 60 Ų | 60 | 76 Ų | 76 | 26% | 0.261 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 139.5 | 170.7 | -74.5 | -177.5 | 171.1 | -178.2 | 0 | 110.9 | E310 E314 A318 V334 Y335 V336 | E310-K320 IonicContact OE2-NZ 3.3Å; E310-K320 PolarHBondContact OE2-NZ 2.75Å; E314-K320 HydrophobicContact CG-CD 4.37Å; E314-K320 WeakPolarHBondContact OE1-CE 3.45Å; E314-K320 IonicContact OE1-NZ 2.76Å; E314-K320 PolarHBondContact OE1-NZ 2.91Å; A318-K320 PolarHBondContact O-N 3.11Å; A318-K320 VanDerWaalsContact O-N 3.13Å; K320-V334 HydrophobicContact CB-CG1 4.14Å; K320-V334 HydrophobicContact CD-CG1 3.99Å; K320-V334 HydrophobicContact CG-CG1 3.97Å; K320-Y335 CarbonylContact C-O 3.58Å; K320-Y335 VanDerWaalsContact CA-O 3.3Å; K320-Y335 WeakPolarHBondContact CA-O 3.4Å; K320-V336 HydrophobicContact CG-CG1 4.08Å |
| 321 | I | 86.7 | Confident | 82.7 | Confident | 44 Ų | 44 | 77.9 Ų | 77.9 | 23% | 0.226 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 134.7 | 176.4 | -167.3 | 170.1 | 0 | 0 | 0 | 110.4 | L302 Y335 I337 | L302-I321 HydrophobicContact CD1-CG2 4.35Å; L302-I321 HydrophobicContact CD2-CG2 3.96Å; I321-Y335 PolarHBondContact N-O 2.81Å; I321-Y335 PolarHBondContact O-N 2.89Å; I321-I337 HydrophobicContact CG2-CG1 4.04Å |
| 322 | P | 85.5 | Confident | 82.7 | Confident | 99 Ų | 99 | 80.8 Ų | 80.8 | 64% | 0.643 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 153.8 | 168.3 | 33.6 | -34.3 | 0 | 0 | 0 | 110.5 | P324 | P322-P324 WeakPolarHBondContact O-CD 3.25Å |
| 323 | L | 83 | Confident | 82.9 | Confident | 14 Ų | 14 | 77.3 Ų | 77.3 | 7% | 0.073 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 120.3 | 176.4 | -74.9 | 176.1 | 0 | 0 | 0 | 111.7 | L302 N325 A326 Y335 I436 M438 Y450 | L302-L323 HydrophobicContact CD1-CD2 4.11Å; L323-N325 PolarHBondContact O-N 3.33Å; L323-A326 HydrophobicContact CB-CB 3.88Å; L323-A326 WeakPolarHBondContact O-CB 3.18Å; L323-A326 PolarHBondContact O-N 2.83Å; L323-Y335 HydrophobicContact CD1-CD2 4.1Å; L323-Y335 HydrophobicContact CD1-CE2 3.43Å; L323-Y335 VanDerWaalsContact CD1-CE2 3.43Å; L323-Y335 HydrophobicContact CD2-CD2 4.25Å; L323-Y335 HydrophobicContact CD2-CE2 4.35Å; L323-Y335 HydrophobicContact CG-CD2 3.71Å; L323-Y335 HydrophobicContact CG-CE2 3.6Å; L323-I436 HydrophobicContact CD1-CD1 3.61Å; L323-I436 HydrophobicContact CD2-CD1 3.78Å; L323-I436 HydrophobicContact CG-CD1 4.28Å; L323-M438 HydrophobicContact CD2-CE 3.73Å; L323-Y450 HydrophobicContact CD1-CE2 4.45Å |
| 324 | P | 74.1 | Confident | 83.1 | Confident | 48 Ų | 48 | 78.9 Ų | 78.9 | 31% | 0.312 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 134.1 | 168.8 | 28.4 | -31.9 | 0 | 0 | 0 | 109.5 | P322 A326 M438 L448 | P322-P324 WeakPolarHBondContact O-CD 3.25Å; P324-A326 VanDerWaalsContact C-N 3.26Å; P324-A326 PolarHBondContact O-N 2.94Å; P324-M438 HydrophobicContact CG-CE 3.98Å; P324-M438 HydrophobicContact CG-SD 4.32Å; P324-L448 HydrophobicContact CB-CD1 4.15Å; P324-L448 HydrophobicContact CG-CD1 3.38Å; P324-L448 HydrophobicContact CG-CD2 3.96Å; P324-L448 HydrophobicContact CG-CG 4.34Å |
| 325 | N | 74.8 | Confident | 83.5 | Confident | 137 Ų | 137 | 73.9 Ų | 73.9 | 73% | 0.733 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 41.8 | -174.2 | -55.7 | -26.3 | 0 | 0 | 0 | 113.1 | L323 Y450 | L323-N325 PolarHBondContact O-N 3.33Å; N325-Y450 PolarHBondContact O-OH 2.7Å |
| 326 | A | 77.1 | Confident | 83.8 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 15% | 0.149 | 37% | 0.369 | C | S | . | . | trans | -56 | 138.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | L323 P324 E330 Q331 | L323-A326 HydrophobicContact CB-CB 3.88Å; L323-A326 WeakPolarHBondContact O-CB 3.18Å; L323-A326 PolarHBondContact O-N 2.83Å; P324-A326 VanDerWaalsContact C-N 3.26Å; P324-A326 PolarHBondContact O-N 2.94Å; A326-E330 HydrophobicContact CB-CB 4.27Å; A326-Q331 HydrophobicContact CB-CG 3.96Å | ||
| 327 | R | 79.8 | Confident | 84.1 | Confident | 168 Ų | 168 | 66.1 Ų | 66.1 | 63% | 0.634 | 36% | 0.363 | S | S | * | . | trans | -62.2 | 157.9 | 169.7 | -57.4 | 176.7 | -176.2 | -165.7 | -1.8 | 109.7 | T329 E330 Q331 | R327-T329 PolarHBondContact O-N 3.17Å; R327-E330 HydrophobicContact CB-CB 4.48Å; R327-E330 HydrophobicContact CB-CG 4.29Å; R327-E330 VanDerWaalsContact CB-OE2 3.31Å; R327-E330 WeakPolarHBondContact CB-OE2 3.28Å; R327-E330 VanDerWaalsContact CD-OE2 3.24Å; R327-E330 WeakPolarHBondContact CD-OE2 3.23Å; R327-E330 WeakPolarHBondContact CG-OE2 3.38Å; R327-E330 IonicContact NE-OE2 3.03Å; R327-E330 CarbonylContact O-C 3.48Å; R327-E330 WeakPolarHBondContact O-CA 3.42Å; R327-E330 PolarHBondContact O-N 3.2Å; R327-Q331 WeakPolarHBondContact O-CG 3.44Å; R327-Q331 PolarHBondContact O-N 3.31Å; R327-Q331 VanDerWaalsContact O-N 3.1Å | ||
| 328 | I | 81.2 | Confident | 84.4 | Confident | 152 Ų | 152 | 64.1 Ų | 64.1 | 78% | 0.779 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -32.3 | 180 | -59.6 | 171 | 0 | 0 | 0 | 111.8 | E330 | I328-E330 VanDerWaalsContact C-N 3.28Å; I328-E330 PolarHBondContact O-N 2.8Å |
| 329 | T | 80.9 | Confident | 84.1 | Confident | 122 Ų | 122 | 65.7 Ų | 65.7 | 75% | 0.748 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -9.6 | 174.9 | 50.3 | 0 | 0 | 0 | 0 | 115.2 | R327 | R327-T329 PolarHBondContact O-N 3.17Š|
| 330 | E | 83.3 | Confident | 83.7 | Confident | 13 Ų | 13 | 63.9 Ų | 63.9 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125 | -7 | -168.9 | -60.4 | 177.6 | 129.6 | 0 | 0 | 113 | A326 R327 I328 N332 E333 K434 | A326-E330 HydrophobicContact CB-CB 4.27Å; R327-E330 HydrophobicContact CB-CB 4.48Å; R327-E330 HydrophobicContact CB-CG 4.29Å; R327-E330 VanDerWaalsContact CB-OE2 3.31Å; R327-E330 WeakPolarHBondContact CB-OE2 3.28Å; R327-E330 VanDerWaalsContact CD-OE2 3.24Å; R327-E330 WeakPolarHBondContact CD-OE2 3.23Å; R327-E330 WeakPolarHBondContact CG-OE2 3.38Å; R327-E330 IonicContact NE-OE2 3.03Å; R327-E330 CarbonylContact O-C 3.48Å; R327-E330 WeakPolarHBondContact O-CA 3.42Å; R327-E330 PolarHBondContact O-N 3.2Å; I328-E330 VanDerWaalsContact C-N 3.28Å; I328-E330 PolarHBondContact O-N 2.8Å; E330-N332 PolarHBondContact O-N 3.13Å; E330-N332 VanDerWaalsContact O-N 3.12Å; E330-E333 WeakPolarHBondContact O-CB 3.36Å; E330-E333 PolarHBondContact O-N 2.94Å; E330-K434 IonicContact OE1-NZ 2.74Å; E330-K434 PolarHBondContact OE1-NZ 3.01Å |
| 331 | Q | 79.2 | Confident | 83.7 | Confident | 121 Ų | 121 | 62.3 Ų | 62.3 | 57% | 0.565 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23.7 | -176.8 | -80 | 166.5 | 9.2 | 0 | 0 | 114.7 | A326 R327 | A326-Q331 HydrophobicContact CB-CG 3.96Å; R327-Q331 WeakPolarHBondContact O-CG 3.44Å; R327-Q331 PolarHBondContact O-N 3.31Å; R327-Q331 VanDerWaalsContact O-N 3.1Å |
| 332 | N | 83.8 | Confident | 83.2 | Confident | 164 Ų | 164 | 67 Ų | 67 | 88% | 0.877 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 10.8 | 178.4 | -63.2 | -17.9 | 0 | 0 | 0 | 113 | E330 | E330-N332 PolarHBondContact O-N 3.13Å; E330-N332 VanDerWaalsContact O-N 3.12Å |
| 333 | E | 89.2 | Confident | 82.9 | Confident | 27 Ų | 27 | 68.1 Ų | 68.1 | 13% | 0.126 | 36% | 0.364 | C | S | . | . | trans | -95.1 | 128.2 | -179.7 | -62.3 | -169 | 139.1 | 0 | 0 | 112.3 | R304 E330 Y335 K434 | R304-E333 IonicContact CZ-OE1 2.7Å; R304-E333 VanDerWaalsContact CZ-OE1 3.3Å; R304-E333 IonicContact NE-OE1 3.77Å; R304-E333 PolarHBondContact NE-OE1 3.46Å; R304-E333 IonicContact NH2-OE1 3.61Å; R304-E333 PolarHBondContact NH2-OE1 3.02Å; E330-E333 WeakPolarHBondContact O-CB 3.36Å; E330-E333 PolarHBondContact O-N 2.94Å; E333-Y335 HydrophobicContact CB-CD2 4.39Å; E333-Y335 HydrophobicContact CB-CE2 3.58Å; E333-Y335 PolarHBondContact OE2-OH 2.8Å; E333-K434 IonicContact OE1-NZ 2.71Å; E333-K434 IonicContact OE2-NZ 3.79Å; E333-K434 PolarHBondContact OE2-NZ 2.99Å | ||
| 334 | V | 89.6 | Confident | 83 | Confident | 47 Ų | 47 | 67.7 Ų | 67.7 | 29% | 0.285 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 138.6 | 175.2 | -178.6 | 0 | 0 | 0 | 0 | 109.9 | V305 K320 | V305-V334 HydrophobicContact CG2-CG1 4.34Å; V305-V334 PolarHBondContact N-O 2.88Å; K320-V334 HydrophobicContact CB-CG1 4.14Å; K320-V334 HydrophobicContact CD-CG1 3.99Å; K320-V334 HydrophobicContact CG-CG1 3.97Å |
| 335 | Y | 91.7 | Very high | 83.7 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 157 | 178.5 | -71.4 | -99.2 | 0 | 0 | 0 | 111.4 | L302 K303 R304 K320 I321 L323 E333 K434 I436 | L302-Y335 HydrophobicContact CB-CD1 3.97Å; L302-Y335 HydrophobicContact CB-CG 4.45Å; K303-Y335 CarbonylContact O-C 3.51Å; K303-Y335 VanDerWaalsContact O-CA 3.3Å; K303-Y335 WeakPolarHBondContact O-CA 3.34Å; R304-Y335 HydrophobicContact CB-CD1 4.16Å; R304-Y335 HydrophobicContact CB-CE1 3.7Å; R304-Y335 HydrophobicContact CG-CE1 4.38Å; K320-Y335 CarbonylContact C-O 3.58Å; K320-Y335 VanDerWaalsContact CA-O 3.3Å; K320-Y335 WeakPolarHBondContact CA-O 3.4Å; I321-Y335 PolarHBondContact N-O 2.81Å; I321-Y335 PolarHBondContact O-N 2.89Å; L323-Y335 HydrophobicContact CD1-CD2 4.1Å; L323-Y335 HydrophobicContact CD1-CE2 3.43Å; L323-Y335 VanDerWaalsContact CD1-CE2 3.43Å; L323-Y335 HydrophobicContact CD2-CD2 4.25Å; L323-Y335 HydrophobicContact CD2-CE2 4.35Å; L323-Y335 HydrophobicContact CG-CD2 3.71Å; L323-Y335 HydrophobicContact CG-CE2 3.6Å; E333-Y335 HydrophobicContact CB-CD2 4.39Å; E333-Y335 HydrophobicContact CB-CE2 3.58Å; E333-Y335 PolarHBondContact OE2-OH 2.8Å; Y335-K434 VanDerWaalsContact OH-CD 3.3Å; Y335-K434 WeakPolarHBondContact OH-CD 3.5Å; Y335-K434 WeakPolarHBondContact OH-CE 3.34Å; Y335-K434 PolarHBondContact OH-NZ 3.41Å; Y335-K434 VanDerWaalsContact OH-NZ 3.14Å; Y335-I436 HydrophobicContact CD1-CD1 4.25Å; Y335-I436 HydrophobicContact CE1-CD1 3.5Å; Y335-I436 HydrophobicContact CE1-CG1 3.98Å; Y335-I436 HydrophobicContact CE2-CD1 4.41Å |
| 336 | V | 91.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 138.3 | 173.4 | -75.1 | 0 | 0 | 0 | 0 | 111.7 | L302 K303 V305 Y313 A318 T319 K320 L338 W341 | L302-V336 WeakPolarHBondContact CA-O 3.44Å; K303-V336 HydrophobicContact CB-CG2 4.29Å; K303-V336 PolarHBondContact N-O 2.04Å; K303-V336 PolarHBondContact O-N 3.4Å; V305-V336 HydrophobicContact CG2-CB 4.4Å; V305-V336 HydrophobicContact CG2-CG1 3.67Å; V305-V336 HydrophobicContact CG2-CG2 4.05Å; Y313-V336 HydrophobicContact CD1-CG1 4.28Å; Y313-V336 HydrophobicContact CD1-CG2 4Å; Y313-V336 HydrophobicContact CE1-CG2 3.98Å; Y313-V336 HydrophobicContact CG-CG1 4.21Å; Y313-V336 HydrophobicContact CG-CG2 4.48Å; A318-V336 HydrophobicContact CB-CB 4.19Å; A318-V336 HydrophobicContact CB-CG1 3.87Å; T319-V336 WeakPolarHBondContact O-CA 3.41Å; K320-V336 HydrophobicContact CG-CG1 4.08Å; V336-L338 PolarHBondContact O-N 2.84Å; V336-W341 HydrophobicContact CB-CH2 4.22Å; V336-W341 HydrophobicContact CB-CZ3 4.02Å; V336-W341 HydrophobicContact CG2-CH2 3.76Å; V336-W341 HydrophobicContact CG2-CZ3 4.07Å |
| 337 | I | 90.8 | Very high | 84.8 | Confident | 32 Ų | 32 | 62.6 Ų | 62.6 | 16% | 0.164 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 110.4 | -176.7 | -54.1 | 177.8 | 0 | 0 | 0 | 110.5 | L302 T319 I321 G339 S340 W341 | L302-I337 HydrophobicContact CD2-CB 4.27Å; L302-I337 HydrophobicContact CD2-CG1 3.78Å; T319-I337 HydrophobicContact CG2-CD1 3.89Å; T319-I337 PolarHBondContact O-N 2.89Å; T319-I337 VanDerWaalsContact O-N 3.12Å; I321-I337 HydrophobicContact CG2-CG1 4.04Å; I337-G339 PolarHBondContact O-N 3.16Å; I337-S340 VanDerWaalsContact O-CB 3.31Å; I337-S340 WeakPolarHBondContact O-CB 3.25Å; I337-S340 PolarHBondContact O-N 2.88Å; I337-S340 PolarHBondContact O-OG 3.18Å; I337-W341 WeakPolarHBondContact O-CZ3 3.39Å |
| 338 | L | 90.2 | Very high | 85.3 | Confident | 8 Ų | 8 | 57.1 Ų | 57.1 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 132.3 | -176.8 | -70.5 | 162.6 | 0 | 0 | 0 | 111 | W301 K303 V336 W341 P345 V348 L420 Y435 | W301-L338 HydrophobicContact CB-CB 4.21Å; W301-L338 HydrophobicContact CB-CD1 4.13Å; W301-L338 WeakPolarHBondContact O-CB 3.49Å; W301-L338 PolarHBondContact O-N 3.33Å; K303-L338 HydrophobicContact CB-CD1 4.27Å; K303-L338 HydrophobicContact CB-CD2 4.16Å; K303-L338 HydrophobicContact CB-CG 4.35Å; V336-L338 PolarHBondContact O-N 2.84Å; L338-W341 HydrophobicContact CD2-CH2 4.01Å; L338-W341 HydrophobicContact CD2-CZ3 4.49Å; L338-P345 HydrophobicContact CD2-CG 3.83Å; L338-V348 HydrophobicContact CB-CG2 4.48Å; L338-L420 HydrophobicContact CB-CD1 4.45Å; L338-L420 HydrophobicContact CD1-CD1 4.09Å; L338-L420 HydrophobicContact CD1-CD2 3.98Å; L338-Y435 HydrophobicContact CD1-CD1 3.58Å; L338-Y435 HydrophobicContact CD1-CE1 3.62Å; L338-Y435 HydrophobicContact CD2-CE1 4.46Å |
| 339 | G | 80.3 | Confident | 85.6 | Confident | 43 Ų | 43 | 52 Ų | 52 | 44% | 0.443 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | -6.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | I337 W341 S344 | I337-G339 PolarHBondContact O-N 3.16Å; G339-W341 PolarHBondContact O-N 3.26Å; G339-S344 PolarHBondContact N-OG 2.88Å |
| 340 | S | 79.5 | Confident | 85.8 | Confident | 24 Ų | 24 | 54.4 Ų | 54.4 | 17% | 0.168 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -72.6 | -7.6 | 178.7 | 96.2 | 0 | 0 | 0 | 0 | 114.5 | T319 I337 | T319-S340 PolarHBondContact N-OG 3.02Å; T319-S340 PolarHBondContact OG1-OG 2.92Å; I337-S340 VanDerWaalsContact O-CB 3.31Å; I337-S340 WeakPolarHBondContact O-CB 3.25Å; I337-S340 PolarHBondContact O-N 2.88Å; I337-S340 PolarHBondContact O-OG 3.18Å |
| 341 | W | 84.8 | Confident | 86 | Confident | 28 Ų | 28 | 56.3 Ų | 56.3 | 11% | 0.106 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -147.7 | 157.9 | -171.5 | 79.1 | 98.5 | 0 | 0 | 0 | 113.7 | Y313 S316 A318 V336 I337 L338 G339 S344 P345 | Y313-W341 HydrophobicContact CD1-CH2 4.2Å; Y313-W341 AromaticContact CD1-CZ2 3.89Å; Y313-W341 HydrophobicContact CD1-CZ2 3.89Å; Y313-W341 AromaticContact CE1-CH2 3.96Å; Y313-W341 HydrophobicContact CE1-CH2 3.96Å; Y313-W341 AromaticContact CE1-CZ2 3.62Å; Y313-W341 HydrophobicContact CE1-CZ2 3.62Å; S316-W341 WeakPolarHBondContact O-CB 3.41Å; A318-W341 HydrophobicContact CB-CD2 3.6Å; A318-W341 HydrophobicContact CB-CE3 3.49Å; A318-W341 VanDerWaalsContact CB-CE3 3.49Å; A318-W341 HydrophobicContact CB-CG 4.05Å; A318-W341 HydrophobicContact CB-CH2 4.35Å; A318-W341 HydrophobicContact CB-CZ2 4.45Å; A318-W341 HydrophobicContact CB-CZ3 3.87Å; V336-W341 HydrophobicContact CB-CH2 4.22Å; V336-W341 HydrophobicContact CB-CZ3 4.02Å; V336-W341 HydrophobicContact CG2-CH2 3.76Å; V336-W341 HydrophobicContact CG2-CZ3 4.07Å; I337-W341 WeakPolarHBondContact O-CZ3 3.39Å; L338-W341 HydrophobicContact CD2-CH2 4.01Å; L338-W341 HydrophobicContact CD2-CZ3 4.49Å; G339-W341 PolarHBondContact O-N 3.26Å; W341-S344 VanDerWaalsContact CH2-OG 3.26Å; W341-S344 WeakPolarHBondContact CH2-OG 3.48Å; W341-S344 WeakPolarHBondContact CZ2-OG 3.42Å; W341-S344 WeakPolarHBondContact CZ3-OG 3.45Å; W341-S344 PolarHBondContact O-N 3.03Å; W341-P345 VanDerWaalsContact CZ2-CD 3.43Å |
| 342 | I | 75.9 | Confident | 86.3 | Confident | 143 Ų | 143 | 53 Ų | 53 | 73% | 0.733 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 133.8 | 179.6 | -56.6 | 173.9 | 0 | 0 | 0 | 109.1 | ||
| 343 | N | 80.8 | Confident | 86.3 | Confident | 121 Ų | 121 | 48 Ų | 48 | 65% | 0.647 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 28 | -173.6 | -49.5 | -41.7 | 0 | 0 | 0 | 115.3 | R430 | N343-R430 PolarHBondContact O-NH2 3.25Š|
| 344 | S | 85.1 | Confident | 85.9 | Confident | 5 Ų | 5 | 52 Ų | 52 | 4% | 0.035 | 28% | 0.284 | C | S | . | . | trans | -52.4 | 140 | 164.6 | -156.1 | 0 | 0 | 0 | 0 | 111.5 | G339 W341 A346 Q423 R430 | G339-S344 PolarHBondContact N-OG 2.88Å; W341-S344 VanDerWaalsContact CH2-OG 3.26Å; W341-S344 WeakPolarHBondContact CH2-OG 3.48Å; W341-S344 WeakPolarHBondContact CZ2-OG 3.42Å; W341-S344 WeakPolarHBondContact CZ3-OG 3.45Å; W341-S344 PolarHBondContact O-N 3.03Å; S344-A346 PolarHBondContact O-N 3.4Å; S344-Q423 PolarHBondContact O-NE2 2.8Å; S344-Q423 VanDerWaalsContact O-NE2 3.12Å; S344-Q423 PolarHBondContact O-OE1 2.96Å; S344-R430 PolarHBondContact O-NH2 2.82Å | ||
| 345 | P | 87 | Confident | 84.7 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -67.8 | -20.4 | -172.5 | 28.2 | -37.2 | 0 | 0 | 0 | 113.9 | L338 W341 Q423 R430 H431 | L338-P345 HydrophobicContact CD2-CG 3.83Å; W341-P345 VanDerWaalsContact CZ2-CD 3.43Å; P345-Q423 PolarHBondContact O-N 2.92Å; P345-R430 HydrophobicContact CB-CG 3.84Å; P345-R430 WeakPolarHBondContact CB-O 3.48Å; P345-H431 PolarHBondContact O-CD2 2.96Å; P345-H431 VanDerWaalsContact O-CD2 3.24Å; P345-H431 PolarHBondContact O-NE2 2.86Å |
| 346 | A | 88.7 | Confident | 82.9 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.008 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 154.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | S344 L420 R421 F422 | S344-A346 PolarHBondContact O-N 3.4Å; A346-L420 HydrophobicContact CB-CD1 3.59Å; A346-L420 HydrophobicContact CB-CD2 4.17Å; A346-L420 HydrophobicContact CB-CG 3.73Å; A346-R421 CarbonylContact C-O 3.54Å; A346-R421 WeakPolarHBondContact CA-O 3.39Å; A346-F422 HydrophobicContact CB-CD1 4.17Å; A346-F422 HydrophobicContact CB-CD2 4.45Å; A346-F422 HydrophobicContact CB-CE1 4.43Å; A346-F422 HydrophobicContact CB-CG 4.18Å |
| 347 | I | 87.9 | Confident | 80.7 | Confident | 91 Ų | 91 | 69.7 Ų | 69.7 | 47% | 0.467 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 129.2 | -179.8 | -58.1 | 173.3 | 0 | 0 | 0 | 107.5 | R421 Q423 | I347-R421 PolarHBondContact N-O 3.02Å; I347-R421 PolarHBondContact O-N 2.91Å; I347-Q423 HydrophobicContact CD1-CG 4.27Å; I347-Q423 HydrophobicContact CG1-CG 4.22Å |
| 348 | V | 89.2 | Confident | 78.1 | Confident | 53 Ų | 53 | 75 Ų | 75 | 32% | 0.321 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 122.1 | 170.6 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | W301 L338 L420 | W301-V348 HydrophobicContact CB-CG2 3.86Å; W301-V348 HydrophobicContact CG-CG2 4Å; L338-V348 HydrophobicContact CB-CG2 4.48Å; V348-L420 HydrophobicContact CG2-CD1 3.88Å |
| 349 | E | 87.5 | Confident | 75.2 | Confident | 45 Ų | 45 | 81.4 Ų | 81.4 | 21% | 0.21 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 152.1 | 172.9 | -58.5 | -174.8 | -176.4 | 0 | 0 | 110.7 | T351 K419 R421 | E349-T351 PolarHBondContact O-N 3.24Å; E349-T351 VanDerWaalsContact O-N 3.16Å; E349-K419 HydrophobicContact CB-CB 4.16Å; E349-K419 HydrophobicContact CG-CB 4.22Å; E349-K419 PolarHBondContact N-O 3.09Å; E349-K419 VanDerWaalsContact OE2-CD 3.24Å; E349-K419 WeakPolarHBondContact OE2-CD 3.38Å; E349-R421 HydrophobicContact CG-CB 4.47Å; E349-R421 IonicContact OE1-CZ 2.86Å; E349-R421 IonicContact OE1-NE 2.99Å; E349-R421 PolarHBondContact OE1-NE 2.87Å; E349-R421 IonicContact OE1-NH2 3.9Å; E349-R421 PolarHBondContact OE1-NH2 2.93Å; E349-R421 IonicContact OE2-NH2 2.73Å |
| 350 | K | 85.8 | Confident | 72.9 | Confident | 173 Ų | 173 | 85.2 Ų | 85.2 | 75% | 0.752 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52.2 | 120.9 | 176 | -175.6 | 176.1 | -179.6 | 178.3 | 0 | 110 | T352 | K350-T352 PolarHBondContact O-N 3.36Å |
| 351 | T | 87.3 | Confident | 70.9 | Confident | 52 Ų | 52 | 89.5 Ų | 89.5 | 32% | 0.319 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 135.9 | 177.1 | -61 | 0 | 0 | 0 | 0 | 110 | I299 E349 F416 | I299-T351 HydrophobicContact CD1-CG2 3.91Å; E349-T351 PolarHBondContact O-N 3.24Å; E349-T351 VanDerWaalsContact O-N 3.16Å; T351-F416 HydrophobicContact CG2-CB 3.9Å; T351-F416 HydrophobicContact CG2-CD1 4.31Å |
| 352 | T | 86.2 | Confident | 68.6 | Low | 52 Ų | 52 | 96.9 Ų | 96.9 | 32% | 0.319 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.4 | -178.1 | 43.4 | 0 | 0 | 0 | 0 | 110 | K350 F416 M417 | K350-T352 PolarHBondContact O-N 3.36Å; T352-F416 CarbonylContact O-C 3.52Å; T352-F416 WeakPolarHBondContact O-CA 3.36Å; T352-M417 PolarHBondContact N-O 3.25Å; T352-M417 PolarHBondContact O-N 2.81Å; T352-M417 PolarHBondContact OG1-O 2.75Å |
| 353 | A | 83.3 | Confident | 66.4 | Low | 60 Ų | 60 | 97.1 Ų | 97.1 | 50% | 0.496 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 132.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F416 | A353-F416 HydrophobicContact CB-CD1 3.77Å; A353-F416 HydrophobicContact CB-CE1 3.68Å |
| 354 | Y | 80.8 | Confident | 64.2 | Low | 110 Ų | 110 | 97.6 Ų | 97.6 | 43% | 0.431 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 128.3 | 176.6 | -60.9 | -98.4 | 0 | 0 | 0 | 108.5 | L415 M417 | Y354-L415 WeakPolarHBondContact CD2-O 3.47Å; Y354-L415 PolarHBondContact N-O 3.01Å; Y354-L415 PolarHBondContact O-N 3.48Å; Y354-M417 HydrophobicContact CE2-CB 4.09Å; Y354-M417 HydrophobicContact CE2-CE 3.66Å; Y354-M417 WeakPolarHBondContact OH-CE 3.46Å |
| 355 | T | 65 | Low | 61.7 | Low | 103 Ų | 103 | 105.8 Ų | 105.8 | 63% | 0.632 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 147 | 169.4 | 48.2 | 0 | 0 | 0 | 0 | 109.8 | R357 Q414 | T355-R357 VanDerWaalsContact C-N 3.3Å; T355-R357 PolarHBondContact O-N 2.99Å; T355-Q414 HydrophobicContact CG2-CG 4.34Å |
| 356 | D | 53.1 | Low | 58.9 | Low | 90 Ų | 90 | 112.2 Ų | 112.2 | 48% | 0.481 | 58% | 0.58 | S | S | . | * | trans | -74.4 | 79.3 | -172.8 | -155 | -11.8 | 0 | 0 | 0 | 112.1 | ||||
| 357 | R | 44.7 | Very low | 56.1 | Low | 226 Ų | 226 | 116.4 Ų | 116.4 | 85% | 0.853 | 61% | 0.61 | S | S | * | * | trans | -88.9 | 99.9 | 153.3 | -105.1 | -175.4 | 169.9 | 161.9 | -2.2 | 106.8 | T355 D359 | T355-R357 VanDerWaalsContact C-N 3.3Å; T355-R357 PolarHBondContact O-N 2.99Å; R357-D359 PolarHBondContact O-N 2.9Å | ||
| 358 | L | 36.6 | Very low | 53.2 | Low | 143 Ų | 143 | 118.5 Ų | 118.5 | 75% | 0.749 | 63% | 0.629 | S | S | * | * | trans | -75.3 | 68.6 | -179.5 | -171.2 | 69.1 | 0 | 0 | 0 | 111.5 | ||||
| 359 | D | 30.1 | Very low | 50.5 | Low | 142 Ų | 142 | 123.1 Ų | 123.1 | 76% | 0.759 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -146.1 | 143.3 | 166 | -87.3 | -53.4 | 0 | 0 | 0 | 108.3 | R357 | R357-D359 PolarHBondContact O-N 2.9Š|
| 360 | S | 31.7 | Very low | 47.8 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 87% | 0.867 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 67.7 | 19.1 | 170.2 | 81.3 | 0 | 0 | 0 | 0 | 121.6 | ||
| 361 | L | 37.1 | Very low | 45 | Very low | 113 Ų | 113 | 123.2 Ų | 123.2 | 59% | 0.592 | 68% | 0.678 | S | S | * | * | trans | -132.4 | 55.5 | 165.4 | -150.3 | 75.5 | 0 | 0 | 0 | 115.7 | I364 | L361-I364 HydrophobicContact CD1-CD1 3.9Å; L361-I364 HydrophobicContact CD1-CG1 4.36Å | ||
| 362 | H | 35.8 | Very low | 42.3 | Very low | 184 Ų | 184 | 127.1 Ų | 127.1 | 85% | 0.852 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -123.7 | 30.1 | 168.5 | -100.1 | 38.9 | 0 | 0 | 0 | 113.9 | ||
| 363 | D | 31.4 | Very low | 39.5 | Very low | 147 Ų | 147 | 129.5 Ų | 129.5 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | trans | -147.8 | 66.4 | 167.4 | -108.5 | -33.6 | 0 | 0 | 0 | 113.5 | ||||
| 364 | I | 33.6 | Very low | 37.1 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 67% | 0.672 | 74% | 0.74 | S | S | * | * | trans | -124.6 | 70 | 156.3 | -52.9 | -177.4 | 0 | 0 | 0 | 107.6 | L361 | L361-I364 HydrophobicContact CD1-CD1 3.9Å; L361-I364 HydrophobicContact CD1-CG1 4.36Å | ||
| 365 | K | 32.2 | Very low | 34.6 | Very low | 178 Ų | 178 | 137.5 Ų | 137.5 | 77% | 0.774 | 76% | 0.762 | S | S | * | * | trans | -82.2 | 126.5 | 174.6 | -147.9 | 170.3 | -170.8 | 172.4 | 0 | 108.7 | S367 | K365-S367 PolarHBondContact O-N 3.21Å; K365-S367 VanDerWaalsContact O-N 3.14Å | ||
| 366 | T | 28.9 | Very low | 33 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | trans | -60.6 | 113.7 | -174.5 | 26 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 367 | S | 29.3 | Very low | 31.9 | Very low | 89 Ų | 89 | 139.2 Ų | 139.2 | 62% | 0.622 | 79% | 0.785 | S | S | * | * | trans | -141.6 | 128.8 | 166.9 | 55.5 | 0 | 0 | 0 | 0 | 110 | K365 I369 | K365-S367 PolarHBondContact O-N 3.21Å; K365-S367 VanDerWaalsContact O-N 3.14Å; S367-I369 PolarHBondContact O-N 2.86Å | ||
| 368 | P | 28 | Very low | 31.5 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -88.2 | 104 | 178.4 | 32.5 | -30.5 | 0 | 0 | 0 | 109.9 | ||||
| 369 | I | 32.2 | Very low | 31.4 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -110.7 | 123.3 | 174.2 | -59.5 | -177 | 0 | 0 | 0 | 109.5 | S367 | S367-I369 PolarHBondContact O-N 2.86Š| ||
| 370 | S | 30.2 | Very low | 31.4 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | -70.6 | 150.5 | -178.6 | 50.4 | 0 | 0 | 0 | 0 | 112.9 | T372 | S370-T372 PolarHBondContact O-N 2.98Š| ||
| 371 | S | 27.1 | Very low | 31.4 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -50.3 | 125.9 | 176.4 | 54.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 372 | T | 30.9 | Very low | 31.2 | Very low | 134 Ų | 134 | 142 Ų | 142 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -147.2 | 147 | 142 | -42.1 | 0 | 0 | 0 | 0 | 108.8 | S370 | S370-T372 PolarHBondContact O-N 2.98Š| ||
| 373 | S | 27.7 | Very low | 31 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | trans | -69 | 139 | -174.9 | 52.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 374 | L | 32.1 | Very low | 30.9 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | -153 | 134 | 145.9 | -110.1 | 157.4 | 0 | 0 | 0 | 109.5 | ||||
| 375 | N | 29.4 | Very low | 30.7 | Very low | 165 Ų | 165 | 143.1 Ų | 143.1 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | -82.3 | 141.1 | -177.9 | -64.7 | -25.5 | 0 | 0 | 0 | 110.6 | ||||
| 376 | G | 30.7 | Very low | 30.8 | Very low | 77 Ų | 77 | 142.2 Ų | 142.2 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -177.8 | 111.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 377 | N | 30.8 | Very low | 30.8 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -70.1 | 138.1 | 170.5 | -80.7 | -1.1 | 0 | 0 | 0 | 110.5 | ||||
| 378 | M | 35.8 | Very low | 31.2 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | trans | -160.7 | 102.4 | 131.2 | -117.3 | 163.6 | -80.4 | 0 | 0 | 112.1 | ||||
| 379 | D | 34.3 | Very low | 31.2 | Very low | 148 Ų | 148 | 141 Ų | 141 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | 48.4 | 103.4 | 138.4 | -52.7 | -15 | 0 | 0 | 0 | 120.5 | ||||
| 380 | V | 30.6 | Very low | 31.3 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | -91.2 | 115.9 | 159.7 | 175.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 381 | N | 31.7 | Very low | 31.3 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -170.1 | 90.4 | 160 | -101.8 | -35.4 | 0 | 0 | 0 | 112.8 | ||||
| 382 | H | 33.1 | Very low | 31.6 | Very low | 193 Ų | 193 | 146.8 Ų | 146.8 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | trans | 179.1 | 81.9 | 141 | -107.5 | -70.1 | 0 | 0 | 0 | 112.6 | ||||
| 383 | L | 30.4 | Very low | 31.6 | Very low | 165 Ų | 165 | 149.5 Ų | 149.5 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -156.5 | 117.4 | 160.6 | -110.3 | 158.5 | 0 | 0 | 0 | 107.7 | I385 | L383-I385 PolarHBondContact O-N 2.86Š| ||
| 384 | Q | 30.3 | Very low | 31.8 | Very low | 188 Ų | 188 | 150 Ų | 150 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -75 | 108.9 | -177.9 | -72.7 | 179.3 | -67 | 0 | 0 | 110 | ||||
| 385 | I | 29.8 | Very low | 31.8 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 67% | 0.672 | 78% | 0.78 | S | S | * | * | trans | -75.5 | 124.1 | 167.9 | -54.8 | 176.4 | 0 | 0 | 0 | 107.4 | L383 D387 | L383-I385 PolarHBondContact O-N 2.86Å; I385-D387 VanDerWaalsContact C-N 3.34Å; I385-D387 HydrophobicContact CG2-CB 4.47Å; I385-D387 VanDerWaalsContact CG2-OD1 3.26Å; I385-D387 WeakPolarHBondContact CG2-OD1 3.32Å; I385-D387 PolarHBondContact O-N 3.37Å | ||
| 386 | I | 34.2 | Very low | 32 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 82% | 0.815 | 76% | 0.761 | S | S | * | * | trans | -86.1 | 83.9 | 167.8 | -58 | 178.1 | 0 | 0 | 0 | 106.6 | S388 | I386-S388 VanDerWaalsContact C-N 3.33Å; I386-S388 PolarHBondContact O-N 3.3Å | ||
| 387 | D | 29.3 | Very low | 31.9 | Very low | 119 Ų | 119 | 147.8 Ų | 147.8 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | trans | -72.5 | 87.8 | 177.7 | -84.2 | -38.8 | 0 | 0 | 0 | 110.9 | I385 N389 | I385-D387 VanDerWaalsContact C-N 3.34Å; I385-D387 HydrophobicContact CG2-CB 4.47Å; I385-D387 VanDerWaalsContact CG2-OD1 3.26Å; I385-D387 WeakPolarHBondContact CG2-OD1 3.32Å; I385-D387 PolarHBondContact O-N 3.37Å; D387-N389 PolarHBondContact O-N 2.84Å | ||
| 388 | S | 36.2 | Very low | 32 | Very low | 85 Ų | 85 | 149 Ų | 149 | 59% | 0.594 | 76% | 0.761 | S | S | * | * | trans | -72.6 | 73.4 | 161.5 | 68.4 | 0 | 0 | 0 | 0 | 109.5 | I386 N390 | I386-S388 VanDerWaalsContact C-N 3.33Å; I386-S388 PolarHBondContact O-N 3.3Å; S388-N390 PolarHBondContact O-N 2.86Å | ||
| 389 | N | 29.2 | Very low | 31.7 | Very low | 135 Ų | 135 | 149.5 Ų | 149.5 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | -61 | 122.1 | 171.4 | -80.8 | -18.2 | 0 | 0 | 0 | 109.9 | D387 | D387-N389 PolarHBondContact O-N 2.84Š| ||
| 390 | N | 34.3 | Very low | 31.6 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | trans | -166.3 | 118.8 | 155.4 | -103.1 | -1.9 | 0 | 0 | 0 | 107.5 | S388 E392 | S388-N390 PolarHBondContact O-N 2.86Å; N390-E392 PolarHBondContact O-N 2.83Å | ||
| 391 | D | 29.9 | Very low | 31.6 | Very low | 174 Ų | 174 | 151 Ų | 151 | 93% | 0.93 | 76% | 0.761 | S | S | * | * | trans | -79 | 79.5 | -180 | -71 | -72.4 | 0 | 0 | 0 | 111.4 | ||||
| 392 | E | 32.8 | Very low | 31.7 | Very low | 171 Ų | 171 | 148.9 Ų | 148.9 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | trans | -116.1 | 137.9 | 170.3 | -78.8 | -168.8 | 116.8 | 0 | 0 | 113.8 | N390 | N390-E392 PolarHBondContact O-N 2.83Š| ||
| 393 | K | 32.2 | Very low | 31.5 | Very low | 190 Ų | 190 | 146.2 Ų | 146.2 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | trans | -50.3 | 141.6 | 173.8 | 178.8 | -176.4 | 178.8 | -175.3 | 0 | 110.5 | S395 | K393-S395 PolarHBondContact O-N 2.84Š| ||
| 394 | P | 30.3 | Very low | 31.5 | Very low | 115 Ų | 115 | 148.4 Ų | 148.4 | 75% | 0.747 | 74% | 0.743 | S | S | * | * | trans | -63.7 | 96.9 | -175.3 | 25.9 | -35.3 | 0 | 0 | 0 | 111.8 | I396 | P394-I396 PolarHBondContact O-N 2.8Š| ||
| 395 | S | 32.5 | Very low | 31.6 | Very low | 61 Ų | 61 | 145.5 Ų | 145.5 | 43% | 0.427 | 73% | 0.734 | S | S | . | * | trans | -74.3 | 109.2 | 173.3 | 43.8 | 0 | 0 | 0 | 0 | 109.8 | K393 Y397 F398 | K393-S395 PolarHBondContact O-N 2.84Å; S395-Y397 PolarHBondContact O-N 2.74Å; S395-F398 WeakPolarHBondContact OG-CE2 3.33Å; S395-F398 WeakPolarHBondContact OG-CZ 3.41Å | ||
| 396 | I | 34.7 | Very low | 31.6 | Very low | 94 Ų | 94 | 146.3 Ų | 146.3 | 48% | 0.482 | 74% | 0.739 | S | S | . | * | S | Bend | trans | -60.4 | 133.3 | 163.4 | -50.5 | 174.9 | 0 | 0 | 0 | 106.8 | P394 | P394-I396 PolarHBondContact O-N 2.8Š|
| 397 | Y | 27.8 | Very low | 31.5 | Very low | 213 Ų | 213 | 147.8 Ų | 147.8 | 84% | 0.835 | 74% | 0.74 | S | S | * | * | trans | 71.6 | 113.9 | -171.1 | -42.7 | -71.6 | 0 | 0 | 0 | 115.1 | S395 | S395-Y397 PolarHBondContact O-N 2.74Š| ||
| 398 | F | 33.6 | Very low | 32 | Very low | 177 Ų | 177 | 151.9 Ų | 151.9 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | -117.7 | 144 | 164.5 | -89.6 | -83.1 | 0 | 0 | 0 | 109.9 | S395 | S395-F398 WeakPolarHBondContact OG-CE2 3.33Å; S395-F398 WeakPolarHBondContact OG-CZ 3.41Å | ||
| 399 | Q | 29 | Very low | 32.2 | Very low | 183 Ų | 183 | 154.5 Ų | 154.5 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | -90.7 | 143.1 | 176.7 | -65.7 | -175.2 | -3.7 | 0 | 0 | 111.4 | K401 | Q399-K401 PolarHBondContact O-N 2.94Š| ||
| 400 | P | 31.9 | Very low | 33.2 | Very low | 106 Ų | 106 | 153.5 Ų | 153.5 | 69% | 0.688 | 75% | 0.753 | S | S | * | * | trans | -74 | 118.9 | -176.3 | 28.9 | -34.2 | 0 | 0 | 0 | 112.2 | V402 | P400-V402 PolarHBondContact O-N 2.78Å; P400-V402 VanDerWaalsContact O-N 3.08Å | ||
| 401 | K | 30.2 | Very low | 34.4 | Very low | 214 Ų | 214 | 151.2 Ų | 151.2 | 93% | 0.93 | 74% | 0.736 | S | S | * | * | trans | -73.4 | 94.8 | 167.8 | -76.9 | -176.4 | 177.5 | 175.5 | 0 | 110.2 | Q399 N403 | Q399-K401 PolarHBondContact O-N 2.94Å; K401-N403 PolarHBondContact O-N 2.63Å | ||
| 402 | V | 33.6 | Very low | 36.1 | Very low | 108 Ų | 108 | 150.8 Ų | 150.8 | 66% | 0.655 | 73% | 0.726 | S | S | * | * | trans | -81 | 116.1 | 176.1 | -179.5 | 0 | 0 | 0 | 0 | 110.4 | P400 Y404 | P400-V402 PolarHBondContact O-N 2.78Å; P400-V402 VanDerWaalsContact O-N 3.08Å; V402-Y404 HydrophobicContact CG1-CD2 3.52Å; V402-Y404 HydrophobicContact CG1-CE2 3.86Å | ||
| 403 | N | 30.4 | Very low | 38.1 | Very low | 137 Ų | 137 | 145.7 Ų | 145.7 | 73% | 0.733 | 70% | 0.702 | S | S | * | * | trans | -130 | 93.1 | 169.2 | -172.2 | -0.4 | 0 | 0 | 0 | 109.5 | K401 N405 | K401-N403 PolarHBondContact O-N 2.63Å; N403-N405 PolarHBondContact O-N 2.87Å | ||
| 404 | Y | 28.7 | Very low | 40.5 | Very low | 212 Ų | 212 | 138.6 Ų | 138.6 | 83% | 0.831 | 67% | 0.672 | S | S | * | * | trans | -80 | 110.9 | 178.6 | -96.7 | -85.5 | 0 | 0 | 0 | 110.7 | V402 | V402-Y404 HydrophobicContact CG1-CD2 3.52Å; V402-Y404 HydrophobicContact CG1-CE2 3.86Å | ||
| 405 | N | 34.1 | Very low | 43.2 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 68% | 0.679 | 65% | 0.649 | S | S | * | * | trans | -146.3 | 103.2 | 166.3 | -97.2 | -62.8 | 0 | 0 | 0 | 112.8 | N403 | N403-N405 PolarHBondContact O-N 2.87Š| ||
| 406 | N | 29.3 | Very low | 45.9 | Very low | 147 Ų | 147 | 133 Ų | 133 | 79% | 0.786 | 63% | 0.631 | S | S | * | * | trans | 40.4 | 90.1 | 147.4 | -63.7 | -27.2 | 0 | 0 | 0 | 119.8 | ||||
| 407 | K | 32.7 | Very low | 48.5 | Very low | 190 Ų | 190 | 130 Ų | 130 | 83% | 0.826 | 62% | 0.615 | S | S | * | * | 179.6 | 158.4 | 117 | -96.9 | 158.4 | -175.1 | 177.7 | 0 | 111.6 | N409 | K407-N409 PolarHBondContact O-N 3.02Š| |||
| 408 | H | 38.3 | Very low | 51.5 | Low | 205 Ų | 205 | 119.9 Ų | 119.9 | 95% | 0.949 | 58% | 0.575 | S | S | * | * | trans | -71.6 | 64.2 | 168.8 | -89.6 | -81.8 | 0 | 0 | 0 | 111.6 | Q410 | H408-Q410 PolarHBondContact O-N 3.35Š| ||
| 409 | N | 42 | Very low | 54.2 | Low | 140 Ų | 140 | 114.5 Ų | 114.5 | 75% | 0.749 | 55% | 0.551 | S | S | * | * | trans | -80.7 | 106.2 | 165.8 | -78.4 | -5.2 | 0 | 0 | 0 | 108.4 | K407 K411 | K407-N409 PolarHBondContact O-N 3.02Å; N409-K411 PolarHBondContact O-N 3.01Å; N409-K411 VanDerWaalsContact O-N 3.08Å | ||
| 410 | Q | 49.3 | Very low | 57.2 | Low | 115 Ų | 115 | 105.8 Ų | 105.8 | 54% | 0.537 | 51% | 0.511 | S | S | . | . | trans | -55.1 | 114.5 | 171.5 | -170.2 | 176.6 | 6.3 | 0 | 0 | 108.7 | H408 K412 | H408-Q410 PolarHBondContact O-N 3.35Å; Q410-K412 PolarHBondContact O-N 3.27Å | ||
| 411 | K | 58.7 | Low | 60.1 | Low | 96 Ų | 96 | 107.3 Ų | 107.3 | 42% | 0.417 | 50% | 0.503 | S | S | . | . | trans | -73.1 | 97.6 | -163.6 | -158.3 | 163.4 | -176.7 | 164.6 | 0 | 110.1 | P263 A293 D295 N409 | P263-K411 WeakPolarHBondContact CG-O 3.38Å; A293-K411 VanDerWaalsContact O-CD 3.28Å; A293-K411 WeakPolarHBondContact O-CD 3.44Å; A293-K411 WeakPolarHBondContact O-CG 3.31Å; D295-K411 WeakPolarHBondContact OD1-CE 3.39Å; D295-K411 IonicContact OD1-NZ 3.81Å; D295-K411 PolarHBondContact OD1-NZ 2.77Å; D295-K411 IonicContact OD2-NZ 2.74Å; D295-K411 PolarHBondContact OD2-NZ 3.4Å; N409-K411 PolarHBondContact O-N 3.01Å; N409-K411 VanDerWaalsContact O-N 3.08Å | ||
| 412 | K | 66.1 | Low | 63 | Low | 165 Ų | 165 | 97.6 Ų | 97.6 | 72% | 0.717 | 46% | 0.46 | S | S | * | . | trans | -58.9 | 145 | -175.6 | -68.8 | -168.4 | 174.1 | -168.5 | 0 | 111 | Q410 Q414 | Q410-K412 PolarHBondContact O-N 3.27Å; K412-Q414 PolarHBondContact O-N 3.21Å | ||
| 413 | E | 74.3 | Confident | 65.5 | Low | 64 Ų | 64 | 95 Ų | 95 | 30% | 0.299 | 44% | 0.441 | S | S | . | . | trans | -62.2 | 131.7 | 173.3 | -62.8 | -173.6 | 136.3 | 0 | 0 | 110.2 | P263 K291 | P263-E413 HydrophobicContact CB-CG 3.41Å; P263-E413 VanDerWaalsContact CB-CG 3.41Å; K291-E413 HydrophobicContact CD-CB 4.18Å; K291-E413 WeakPolarHBondContact CD-OE2 3.39Å; K291-E413 WeakPolarHBondContact CE-OE2 3.37Å; K291-E413 HydrophobicContact CG-CB 4.22Å; K291-E413 IonicContact NZ-OE2 3.4Å; K291-E413 PolarHBondContact NZ-OE2 2.74Å | ||
| 414 | Q | 82.5 | Confident | 68.1 | Low | 42 Ų | 42 | 94.2 Ų | 94.2 | 20% | 0.196 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 148.5 | 174.3 | -55.9 | -168 | 95.8 | 0 | 0 | 109.5 | K291 C292 C294 T355 K412 F416 | K291-Q414 WeakPolarHBondContact CA-O 3.27Å; C292-Q414 PolarHBondContact N-O 3.44Å; C292-Q414 PolarHBondContact O-N 2.83Å; C294-Q414 PolarHBondContact O-NE2 2.92Å; T355-Q414 HydrophobicContact CG2-CG 4.34Å; K412-Q414 PolarHBondContact O-N 3.21Å; Q414-F416 HydrophobicContact CB-CD2 4.34Å; Q414-F416 HydrophobicContact CB-CE2 3.59Å; Q414-F416 HydrophobicContact CB-CZ 3.85Å |
| 415 | L | 87 | Confident | 70.8 | Confident | 50 Ų | 50 | 89.3 Ų | 89.3 | 26% | 0.262 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 110.8 | 176.4 | 176.4 | 65.6 | 0 | 0 | 0 | 109.3 | L270 R289 I290 Y354 | L270-L415 HydrophobicContact CD1-CD1 3.75Å; R289-L415 HydrophobicContact CB-CD1 4.12Å; I290-L415 CarbonylContact O-C 3.52Å; Y354-L415 WeakPolarHBondContact CD2-O 3.47Å; Y354-L415 PolarHBondContact N-O 3.01Å; Y354-L415 PolarHBondContact O-N 3.48Å |
| 416 | F | 89.3 | Confident | 73.3 | Confident | 9 Ų | 9 | 83.3 Ų | 83.3 | 4% | 0.039 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 123.5 | 176.9 | -59.8 | -92.6 | 0 | 0 | 0 | 109.5 | R289 I290 C292 D295 P297 I299 T351 T352 A353 Q414 | R289-F416 CarbonylContact C-O 3.56Å; R289-F416 WeakPolarHBondContact CA-O 3.42Å; I290-F416 HydrophobicContact CB-CB 4.36Å; I290-F416 PolarHBondContact N-O 2.82Å; I290-F416 PolarHBondContact O-N 2.8Å; C292-F416 HydrophobicContact CB-CD2 4.32Å; C292-F416 HydrophobicContact CB-CE2 3.96Å; D295-F416 WeakPolarHBondContact O-CZ 3.49Å; P297-F416 VanDerWaalsContact CD-CE1 3.43Å; P297-F416 HydrophobicContact CG-CB 4.37Å; P297-F416 HydrophobicContact CG-CD1 4.04Å; P297-F416 HydrophobicContact CG-CD2 3.65Å; P297-F416 HydrophobicContact CG-CE1 4.23Å; P297-F416 HydrophobicContact CG-CE2 3.86Å; P297-F416 HydrophobicContact CG-CG 3.74Å; P297-F416 HydrophobicContact CG-CZ 4.15Å; I299-F416 HydrophobicContact CD1-CB 4.1Å; T351-F416 HydrophobicContact CG2-CB 3.9Å; T351-F416 HydrophobicContact CG2-CD1 4.31Å; T352-F416 CarbonylContact O-C 3.52Å; T352-F416 WeakPolarHBondContact O-CA 3.36Å; A353-F416 HydrophobicContact CB-CD1 3.77Å; A353-F416 HydrophobicContact CB-CE1 3.68Å; Q414-F416 HydrophobicContact CB-CD2 4.34Å; Q414-F416 HydrophobicContact CB-CE2 3.59Å; Q414-F416 HydrophobicContact CB-CZ 3.85Å |
| 417 | M | 89.7 | Confident | 75.9 | Confident | 30 Ų | 30 | 79.9 Ų | 79.9 | 15% | 0.148 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 117.4 | 175.4 | -176.9 | 162.9 | 49.8 | 0 | 0 | 110.1 | I287 A288 R289 T352 Y354 | I287-M417 HydrophobicContact CG2-CG 3.65Å; I287-M417 HydrophobicContact CG2-SD 3.67Å; A288-M417 WeakPolarHBondContact O-CA 3.21Å; R289-M417 HydrophobicContact CG-CG 4.47Å; R289-M417 HydrophobicContact CG-SD 4.46Å; T352-M417 PolarHBondContact N-O 3.25Å; T352-M417 PolarHBondContact O-N 2.81Å; T352-M417 PolarHBondContact OG1-O 2.75Å; Y354-M417 HydrophobicContact CE2-CB 4.09Å; Y354-M417 HydrophobicContact CE2-CE 3.66Å; Y354-M417 WeakPolarHBondContact OH-CE 3.46Å |
| 418 | T | 91.3 | Very high | 78.5 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 151.1 | 175.5 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | A288 I290 I299 W301 V437 | A288-T418 HydrophobicContact CB-CG2 3.88Å; A288-T418 PolarHBondContact N-O 2.78Å; A288-T418 PolarHBondContact O-N 3.43Å; I290-T418 HydrophobicContact CD1-CG2 3.83Å; I299-T418 HydrophobicContact CG2-CG2 3.79Å; W301-T418 HydrophobicContact CZ2-CG2 3.83Å; W301-T418 PolarHBondContact NE1-OG1 3.43Å; T418-V437 HydrophobicContact CG2-CG2 4.37Å |
| 419 | K | 90.8 | Very high | 80.6 | Confident | 64 Ų | 64 | 73.1 Ų | 73.1 | 28% | 0.278 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 135.7 | -177.2 | -55.3 | 171.9 | -177.4 | 166.7 | 0 | 110.1 | T285 V286 I287 E349 | T285-K419 HydrophobicContact CG2-CB 4.15Å; V286-K419 CarbonylContact O-C 3.58Å; V286-K419 WeakPolarHBondContact O-CA 3.34Å; I287-K419 HydrophobicContact CD1-CG 4.49Å; I287-K419 HydrophobicContact CG1-CG 4.11Å; I287-K419 HydrophobicContact CG2-CG 4.25Å; E349-K419 HydrophobicContact CB-CB 4.16Å; E349-K419 HydrophobicContact CG-CB 4.22Å; E349-K419 PolarHBondContact N-O 3.09Å; E349-K419 VanDerWaalsContact OE2-CD 3.24Å; E349-K419 WeakPolarHBondContact OE2-CD 3.38Å |
| 420 | L | 91.7 | Very high | 82.7 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 106.5 | 174.5 | -175.7 | 71.2 | 0 | 0 | 0 | 108.7 | T285 V286 W301 L338 A346 V348 F422 Y435 | T285-L420 WeakPolarHBondContact CA-O 3.31Å; V286-L420 HydrophobicContact CB-CB 4.46Å; V286-L420 PolarHBondContact N-O 3.42Å; V286-L420 PolarHBondContact O-N 2.82Å; W301-L420 HydrophobicContact CB-CD1 4.14Å; W301-L420 HydrophobicContact CD2-CB 3.85Å; W301-L420 HydrophobicContact CD2-CD1 4.32Å; W301-L420 HydrophobicContact CD2-CD2 4.17Å; W301-L420 HydrophobicContact CD2-CG 4.34Å; W301-L420 HydrophobicContact CE3-CB 3.93Å; W301-L420 HydrophobicContact CE3-CD2 3.65Å; W301-L420 HydrophobicContact CE3-CG 4.27Å; W301-L420 HydrophobicContact CG-CB 4.43Å; W301-L420 HydrophobicContact CG-CD1 4.13Å; W301-L420 HydrophobicContact CH2-CB 4.18Å; W301-L420 HydrophobicContact CZ2-CB 4.07Å; W301-L420 HydrophobicContact CZ3-CB 4.1Å; W301-L420 HydrophobicContact CZ3-CD2 4.09Å; L338-L420 HydrophobicContact CB-CD1 4.45Å; L338-L420 HydrophobicContact CD1-CD1 4.09Å; L338-L420 HydrophobicContact CD1-CD2 3.98Å; A346-L420 HydrophobicContact CB-CD1 3.59Å; A346-L420 HydrophobicContact CB-CD2 4.17Å; A346-L420 HydrophobicContact CB-CG 3.73Å; V348-L420 HydrophobicContact CG2-CD1 3.88Å; L420-F422 HydrophobicContact CD2-CE2 3.81Å; L420-F422 HydrophobicContact CD2-CZ 3.79Å; L420-F422 HydrophobicContact CG-CE2 4.03Å; L420-F422 HydrophobicContact CG-CZ 4.44Å; L420-Y435 HydrophobicContact CD2-CD1 3.79Å; L420-Y435 HydrophobicContact CD2-CE1 4.14Å |
| 421 | R | 91.3 | Very high | 84.6 | Confident | 139 Ų | 139 | 64.7 Ų | 64.7 | 53% | 0.525 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 121.9 | 179 | -173.6 | -171.5 | -61.5 | -157.9 | 1.8 | 109.9 | A346 I347 E349 | A346-R421 CarbonylContact C-O 3.54Å; A346-R421 WeakPolarHBondContact CA-O 3.39Å; I347-R421 PolarHBondContact N-O 3.02Å; I347-R421 PolarHBondContact O-N 2.91Å; E349-R421 HydrophobicContact CG-CB 4.47Å; E349-R421 IonicContact OE1-CZ 2.86Å; E349-R421 IonicContact OE1-NE 2.99Å; E349-R421 PolarHBondContact OE1-NE 2.87Å; E349-R421 IonicContact OE1-NH2 3.9Å; E349-R421 PolarHBondContact OE1-NH2 2.93Å; E349-R421 IonicContact OE2-NH2 2.73Å |
| 422 | F | 91.2 | Very high | 86.1 | Confident | 9 Ų | 9 | 63 Ų | 63 | 4% | 0.039 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 144.7 | -179.4 | -69.7 | -109.4 | 0 | 0 | 0 | 110.8 | F278 A284 V286 A346 L420 L426 H431 Y435 V455 | F278-F422 HydrophobicContact CE2-CE2 4.49Å; A284-F422 HydrophobicContact CB-CB 3.87Å; A284-F422 HydrophobicContact CB-CD2 4.24Å; A284-F422 HydrophobicContact CB-CG 4.19Å; A284-F422 PolarHBondContact O-N 2.76Å; V286-F422 HydrophobicContact CB-CE2 4.4Å; V286-F422 HydrophobicContact CG2-CE2 3.77Å; V286-F422 HydrophobicContact CG2-CZ 4.4Å; A346-F422 HydrophobicContact CB-CD1 4.17Å; A346-F422 HydrophobicContact CB-CD2 4.45Å; A346-F422 HydrophobicContact CB-CE1 4.43Å; A346-F422 HydrophobicContact CB-CG 4.18Å; L420-F422 HydrophobicContact CD2-CE2 3.81Å; L420-F422 HydrophobicContact CD2-CZ 3.79Å; L420-F422 HydrophobicContact CG-CE2 4.03Å; L420-F422 HydrophobicContact CG-CZ 4.44Å; F422-L426 HydrophobicContact CB-CD2 3.6Å; F422-H431 HydrophobicContact CD1-CB 3.99Å; F422-H431 HydrophobicContact CE1-CB 4.47Å; F422-Y435 AromaticContact CE1-CE1 3.89Å; F422-Y435 HydrophobicContact CE1-CE1 3.89Å; F422-Y435 AromaticContact CE1-CE2 3.99Å; F422-Y435 HydrophobicContact CE1-CE2 3.99Å; F422-Y435 AromaticContact CE1-CZ 3.54Å; F422-Y435 HydrophobicContact CZ-CD1 4.31Å; F422-Y435 AromaticContact CZ-CE1 3.98Å; F422-Y435 HydrophobicContact CZ-CE1 3.98Å; F422-Y435 HydrophobicContact CZ-CE2 4.27Å; F422-Y435 AromaticContact CZ-CZ 3.99Å; F422-V455 HydrophobicContact CE1-CG1 4.16Å; F422-V455 HydrophobicContact CE1-CG2 4.49Å; F422-V455 HydrophobicContact CZ-CG1 4.25Å; F422-V455 HydrophobicContact CZ-CG2 3.94Å |
| 423 | Q | 87.7 | Confident | 87.3 | Confident | 54 Ų | 54 | 56 Ų | 56 | 25% | 0.252 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 136.4 | -179.8 | -66.8 | -174.2 | -10.5 | 0 | 0 | 111.3 | S344 P345 I347 H431 | S344-Q423 PolarHBondContact O-NE2 2.8Å; S344-Q423 VanDerWaalsContact O-NE2 3.12Å; S344-Q423 PolarHBondContact O-OE1 2.96Å; P345-Q423 PolarHBondContact O-N 2.92Å; I347-Q423 HydrophobicContact CD1-CG 4.27Å; I347-Q423 HydrophobicContact CG1-CG 4.22Å; Q423-H431 PolarHBondContact O-CE1 3.41Å; Q423-H431 PolarHBondContact O-NE2 3.05Å |
| 424 | K | 85 | Confident | 88.1 | Confident | 121 Ų | 121 | 53.3 Ų | 53.3 | 53% | 0.526 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -86.4 | 149.7 | 172.1 | -65.4 | -162 | -178.6 | -161.2 | 0 | 111.1 | D281 D282 | D281-K424 PolarHBondContact O-NZ 3.29Å; D282-K424 VanDerWaalsContact C-NZ 3.3Å; D282-K424 WeakPolarHBondContact O-CE 3.41Å; D282-K424 PolarHBondContact O-NZ 2.03Å; D282-K424 VanDerWaalsContact O-NZ 3.1Å |
| 425 | P | 84.5 | Confident | 88.6 | Confident | 109 Ų | 109 | 51.4 Ų | 51.4 | 71% | 0.708 | 24% | 0.244 | S | C | * | . | S | Bend | cis | -75.5 | 146.3 | -4.1 | 31.9 | -35.3 | 0 | 0 | 0 | 112.5 | N427 H431 | P425-N427 PolarHBondContact O-N 2.89Å; P425-H431 PolarHBondContact O-CE1 2.99Å |
| 426 | L | 86 | Confident | 88.8 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | trans | -79.3 | 83.4 | -177.2 | -63.1 | 167 | 0 | 0 | 0 | 110.9 | F278 K279 T280 D282 A284 F422 I457 | F278-L426 HydrophobicContact CB-CD1 4.43Å; K279-L426 WeakPolarHBondContact O-CD1 3.47Å; T280-L426 WeakPolarHBondContact O-CB 3.18Å; D282-L426 VanDerWaalsContact O-CD1 3.32Å; D282-L426 WeakPolarHBondContact O-CD1 3.48Å; A284-L426 HydrophobicContact CB-CD1 3.57Å; A284-L426 HydrophobicContact CB-CD2 3.95Å; A284-L426 HydrophobicContact CB-CG 4.43Å; F422-L426 HydrophobicContact CB-CD2 3.6Å; L426-I457 HydrophobicContact CB-CG2 4.35Å; L426-I457 WeakPolarHBondContact O-CG2 3.36Å | ||
| 427 | N | 84.9 | Confident | 89 | Confident | 74 Ų | 74 | 48.6 Ų | 48.6 | 40% | 0.396 | 23% | 0.23 | S | C | . | . | trans | -68.3 | 136.8 | 165.1 | -174.8 | 7.2 | 0 | 0 | 0 | 109.9 | P425 E429 R430 H431 | P425-N427 PolarHBondContact O-N 2.89Å; N427-E429 PolarHBondContact ND2-OE2 2.9Å; N427-E429 PolarHBondContact OD1-N 3.33Å; N427-R430 HydrophobicContact CB-CB 4.37Å; N427-R430 PolarHBondContact O-N 3.11Å; N427-H431 PolarHBondContact N-ND1 2.91Å; N427-H431 PolarHBondContact O-N 3Å; N427-H431 PolarHBondContact O-ND1 3.07Å | ||
| 428 | K | 86.4 | Confident | 89 | Confident | 105 Ų | 105 | 47.3 Ų | 47.3 | 46% | 0.457 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -56.2 | -53.1 | 174.1 | -176 | 171.7 | -179.4 | 171.4 | 0 | 111.8 | R430 H431 E432 I457 | K428-R430 PolarHBondContact O-N 2.92Å; K428-R430 VanDerWaalsContact O-N 3.16Å; K428-H431 PolarHBondContact O-N 3.48Å; K428-E432 WeakPolarHBondContact CE-OE1 3.21Å; K428-E432 WeakPolarHBondContact CE-OE2 3.09Å; K428-E432 HydrophobicContact CG-CB 4.19Å; K428-E432 WeakPolarHBondContact CG-OE2 3.27Å; K428-E432 IonicContact NZ-OE1 3.75Å; K428-E432 IonicContact NZ-OE2 3.37Å; K428-E432 WeakPolarHBondContact O-CB 3.3Å; K428-E432 PolarHBondContact O-N 3.17Å; K428-I457 HydrophobicContact CB-CB 4.21Å; K428-I457 HydrophobicContact CB-CG2 4.42Å; K428-I457 HydrophobicContact CG-CB 4.37Å |
| 429 | E | 83.6 | Confident | 88.9 | Confident | 149 Ų | 149 | 47.3 Ų | 47.3 | 70% | 0.696 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -56.4 | -37.2 | -176.4 | -59.3 | 159.5 | 153.9 | 0 | 0 | 112.8 | N427 | N427-E429 PolarHBondContact ND2-OE2 2.9Å; N427-E429 PolarHBondContact OD1-N 3.33Å |
| 430 | R | 84.7 | Confident | 88.5 | Confident | 76 Ų | 76 | 45.9 Ų | 45.9 | 29% | 0.287 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -83.8 | -29.9 | -175.5 | -175.3 | 171.8 | -176 | -119.1 | 9.5 | 113.9 | N343 S344 P345 N427 K428 | N343-R430 PolarHBondContact O-NH2 3.25Å; S344-R430 PolarHBondContact O-NH2 2.82Å; P345-R430 HydrophobicContact CB-CG 3.84Å; P345-R430 WeakPolarHBondContact CB-O 3.48Å; N427-R430 HydrophobicContact CB-CB 4.37Å; N427-R430 PolarHBondContact O-N 3.11Å; K428-R430 PolarHBondContact O-N 2.92Å; K428-R430 VanDerWaalsContact O-N 3.16Å |
| 431 | H | 90 | Very high | 88 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -123.7 | -13.1 | -165.2 | -50.3 | 103.9 | 0 | 0 | 0 | 115 | P345 F422 Q423 P425 N427 K428 Y435 I457 | P345-H431 PolarHBondContact O-CD2 2.96Å; P345-H431 VanDerWaalsContact O-CD2 3.24Å; P345-H431 PolarHBondContact O-NE2 2.86Å; F422-H431 HydrophobicContact CD1-CB 3.99Å; F422-H431 HydrophobicContact CE1-CB 4.47Å; Q423-H431 PolarHBondContact O-CE1 3.41Å; Q423-H431 PolarHBondContact O-NE2 3.05Å; P425-H431 PolarHBondContact O-CE1 2.99Å; N427-H431 PolarHBondContact N-ND1 2.91Å; N427-H431 PolarHBondContact O-N 3Å; N427-H431 PolarHBondContact O-ND1 3.07Å; K428-H431 PolarHBondContact O-N 3.48Å; H431-Y435 PolarHBondContact O-OH 3.3Å; H431-I457 HydrophobicContact CB-CD1 4.12Å; H431-I457 HydrophobicContact CB-CG1 4.13Å |
| 432 | E | 90 | Very high | 87 | Confident | 61 Ų | 61 | 44.9 Ų | 44.9 | 29% | 0.285 | 22% | 0.223 | S | C | . | . | trans | -72.2 | 152.6 | 167.3 | -174.1 | 171.1 | -121.6 | 0 | 0 | 110.2 | K428 V455 I457 | K428-E432 WeakPolarHBondContact CE-OE1 3.21Å; K428-E432 WeakPolarHBondContact CE-OE2 3.09Å; K428-E432 HydrophobicContact CG-CB 4.19Å; K428-E432 WeakPolarHBondContact CG-OE2 3.27Å; K428-E432 IonicContact NZ-OE1 3.75Å; K428-E432 IonicContact NZ-OE2 3.37Å; K428-E432 WeakPolarHBondContact O-CB 3.3Å; K428-E432 PolarHBondContact O-N 3.17Å; E432-V455 WeakPolarHBondContact CA-O 3.32Å; E432-V455 WeakPolarHBondContact CG-O 3.42Å; E432-I457 HydrophobicContact CB-CG1 4.33Å | ||
| 433 | G | 91.1 | Very high | 85.8 | Confident | 17 Ų | 17 | 49 Ų | 49 | 18% | 0.175 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 137.6 | -166.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V455 | G433-V455 PolarHBondContact N-O 3.35Å; G433-V455 PolarHBondContact O-N 2.9Å |
| 434 | K | 91.9 | Very high | 84.7 | Confident | 9 Ų | 9 | 49.7 Ų | 49.7 | 4% | 0.039 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 119.3 | 177.2 | -171.8 | -179.1 | 177.7 | -175.4 | 0 | 109.9 | R304 E330 E333 Y335 V452 Y454 | R304-K434 HydrophobicContact CB-CB 3.93Å; R304-K434 WeakPolarHBondContact CB-O 3.42Å; R304-K434 PolarHBondContact N-O 2.85Å; E330-K434 IonicContact OE1-NZ 2.74Å; E330-K434 PolarHBondContact OE1-NZ 3.01Å; E333-K434 IonicContact OE1-NZ 2.71Å; E333-K434 IonicContact OE2-NZ 3.79Å; E333-K434 PolarHBondContact OE2-NZ 2.99Å; Y335-K434 VanDerWaalsContact OH-CD 3.3Å; Y335-K434 WeakPolarHBondContact OH-CD 3.5Å; Y335-K434 WeakPolarHBondContact OH-CE 3.34Å; Y335-K434 PolarHBondContact OH-NZ 3.41Å; Y335-K434 VanDerWaalsContact OH-NZ 3.14Å; K434-V452 HydrophobicContact CD-CG1 4.13Å; K434-V452 VanDerWaalsContact CE-CG1 3.49Å; K434-V452 HydrophobicContact CG-CG1 3.72Å; K434-Y454 HydrophobicContact CB-CD1 4.03Å; K434-Y454 HydrophobicContact CB-CE1 3.73Å; K434-Y454 HydrophobicContact CD-CE1 3.99Å; K434-Y454 HydrophobicContact CG-CD1 4.24Å; K434-Y454 HydrophobicContact CG-CE1 3.7Å |
| 435 | Y | 93 | Very high | 83.8 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 154.4 | 173 | -71.5 | -102 | 0 | 0 | 0 | 109.5 | L302 K303 L338 L420 F422 H431 I453 V455 | L302-Y435 CarbonylContact O-C 3.47Å; L302-Y435 VanDerWaalsContact O-CA 3.31Å; L302-Y435 WeakPolarHBondContact O-CA 3.4Å; K303-Y435 HydrophobicContact CB-CD1 4.21Å; K303-Y435 HydrophobicContact CB-CE1 3.92Å; K303-Y435 HydrophobicContact CG-CD1 4.31Å; K303-Y435 HydrophobicContact CG-CE1 3.84Å; K303-Y435 HydrophobicContact CG-CE2 4.08Å; L338-Y435 HydrophobicContact CD1-CD1 3.58Å; L338-Y435 HydrophobicContact CD1-CE1 3.62Å; L338-Y435 HydrophobicContact CD2-CE1 4.46Å; L420-Y435 HydrophobicContact CD2-CD1 3.79Å; L420-Y435 HydrophobicContact CD2-CE1 4.14Å; F422-Y435 AromaticContact CE1-CE1 3.89Å; F422-Y435 HydrophobicContact CE1-CE1 3.89Å; F422-Y435 AromaticContact CE1-CE2 3.99Å; F422-Y435 HydrophobicContact CE1-CE2 3.99Å; F422-Y435 AromaticContact CE1-CZ 3.54Å; F422-Y435 HydrophobicContact CZ-CD1 4.31Å; F422-Y435 AromaticContact CZ-CE1 3.98Å; F422-Y435 HydrophobicContact CZ-CE1 3.98Å; F422-Y435 HydrophobicContact CZ-CE2 4.27Å; F422-Y435 AromaticContact CZ-CZ 3.99Å; H431-Y435 PolarHBondContact O-OH 3.3Å; Y435-I453 WeakPolarHBondContact CA-O 3.38Å; Y435-I453 WeakPolarHBondContact CB-O 3.47Å; Y435-I453 PolarHBondContact N-O 2.9Å; Y435-I453 PolarHBondContact O-N 3.36Å; Y435-I453 VanDerWaalsContact O-O 3.14Å; Y435-V455 HydrophobicContact CD2-CB 3.99Å; Y435-V455 HydrophobicContact CD2-CG2 3.66Å; Y435-V455 HydrophobicContact CE2-CB 4.05Å; Y435-V455 HydrophobicContact CE2-CG2 4.1Å; Y435-V455 HydrophobicContact CG-CG2 4.31Å |
| 436 | I | 91.5 | Very high | 82.8 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 141.2 | 172.5 | -73.6 | 176.8 | 0 | 0 | 0 | 108.7 | W301 L302 L323 Y335 M438 Y450 I451 V452 | W301-I436 WeakPolarHBondContact CA-O 3.45Å; L302-I436 HydrophobicContact CB-CB 4.26Å; L302-I436 HydrophobicContact CD1-CG2 4.27Å; L302-I436 PolarHBondContact N-O 3.03Å; L302-I436 PolarHBondContact O-N 3.09Å; L323-I436 HydrophobicContact CD1-CD1 3.61Å; L323-I436 HydrophobicContact CD2-CD1 3.78Å; L323-I436 HydrophobicContact CG-CD1 4.28Å; Y335-I436 HydrophobicContact CD1-CD1 4.25Å; Y335-I436 HydrophobicContact CE1-CD1 3.5Å; Y335-I436 HydrophobicContact CE1-CG1 3.98Å; Y335-I436 HydrophobicContact CE2-CD1 4.41Å; I436-M438 HydrophobicContact CG2-CB 4.41Å; I436-Y450 HydrophobicContact CD1-CD2 4.29Å; I436-Y450 HydrophobicContact CG2-CD2 4.35Å; I436-Y450 HydrophobicContact CG2-CG 4.48Å; I436-I451 WeakPolarHBondContact CA-O 3.39Å; I436-V452 HydrophobicContact CD1-CG2 4.09Å; I436-V452 HydrophobicContact CG1-CG2 4.02Å |
| 437 | V | 92.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 128.6 | 157.6 | 59.9 | 0 | 0 | 0 | 0 | 108.6 | A288 I299 Q300 W301 T418 Y450 I451 I453 | A288-V437 HydrophobicContact CB-CG1 3.78Å; A288-V437 HydrophobicContact CB-CG2 4.31Å; I299-V437 HydrophobicContact CG2-CG2 4Å; Q300-V437 WeakPolarHBondContact O-CA 3.38Å; W301-V437 HydrophobicContact CD2-CB 3.89Å; W301-V437 HydrophobicContact CD2-CG2 4.03Å; W301-V437 HydrophobicContact CE3-CB 3.74Å; W301-V437 HydrophobicContact CE3-CG2 4.39Å; W301-V437 HydrophobicContact CG-CG2 4.48Å; W301-V437 HydrophobicContact CH2-CB 3.95Å; W301-V437 HydrophobicContact CH2-CG1 4.08Å; W301-V437 HydrophobicContact CH2-CG2 4.43Å; W301-V437 HydrophobicContact CZ2-CB 4.11Å; W301-V437 HydrophobicContact CZ2-CG1 4.49Å; W301-V437 HydrophobicContact CZ2-CG2 4.09Å; W301-V437 HydrophobicContact CZ3-CB 3.78Å; W301-V437 HydrophobicContact CZ3-CG1 4.16Å; T418-V437 HydrophobicContact CG2-CG2 4.37Å; V437-Y450 WeakPolarHBondContact O-CA 3.02Å; V437-I451 HydrophobicContact CG1-CG2 3.37Å; V437-I451 PolarHBondContact N-O 3.01Å; V437-I451 PolarHBondContact O-N 2.72Å; V437-I453 HydrophobicContact CG1-CD1 4.21Å |
| 438 | M | 89.9 | Confident | 81.4 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.02 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 142.2 | -175.4 | 179.9 | -175.3 | -68.3 | 0 | 0 | 108.6 | I299 Q300 L302 L323 P324 I436 M440 L448 E449 | I299-M438 WeakPolarHBondContact CA-O 3.08Å; Q300-M438 PolarHBondContact N-O 3.09Å; Q300-M438 PolarHBondContact O-N 3.3Å; L302-M438 HydrophobicContact CD1-CE 3.84Å; L323-M438 HydrophobicContact CD2-CE 3.73Å; P324-M438 HydrophobicContact CG-CE 3.98Å; P324-M438 HydrophobicContact CG-SD 4.32Å; I436-M438 HydrophobicContact CG2-CB 4.41Å; M438-M440 HydrophobicContact SD-CE 4.11Å; M438-L448 HydrophobicContact CE-CD2 4.33Å; M438-L448 HydrophobicContact CG-CD1 4.4Å; M438-L448 HydrophobicContact CG-CD2 3.87Å; M438-L448 HydrophobicContact CG-CG 4.1Å; M438-L448 HydrophobicContact SD-CD1 3.92Å; M438-L448 HydrophobicContact SD-CD2 4.1Å; M438-L448 HydrophobicContact SD-CG 4.26Å; M438-E449 CarbonylContact C-O 3.55Å; M438-E449 WeakPolarHBondContact CA-O 3.34Å |
| 439 | T | 89.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 144.9 | 174.3 | -168.6 | 0 | 0 | 0 | 0 | 112 | P267 I269 I290 V298 L448 E449 | P267-T439 HydrophobicContact CB-CG2 3.79Å; P267-T439 WeakPolarHBondContact CB-OG1 3.4Å; P267-T439 HydrophobicContact CG-CG2 3.87Å; P267-T439 WeakPolarHBondContact CG-OG1 3.47Å; I269-T439 HydrophobicContact CD1-CG2 4.13Å; I269-T439 HydrophobicContact CG1-CG2 3.71Å; I290-T439 HydrophobicContact CG1-CG2 4.37Å; I290-T439 HydrophobicContact CG2-CG2 4.07Å; V298-T439 CarbonylContact O-C 3.57Å; V298-T439 WeakPolarHBondContact O-CA 3.03Å; V298-T439 PolarHBondContact O-OG1 2.85Å; V298-T439 VanDerWaalsContact O-OG1 3.06Å; T439-L448 WeakPolarHBondContact O-CA 3.13Å; T439-E449 HydrophobicContact CG2-CB 4.25Å; T439-E449 PolarHBondContact N-O 2.72Å; T439-E449 PolarHBondContact O-N 2.88Å |
| 440 | M | 83.4 | Confident | 81.7 | Confident | 33 Ų | 33 | 44.4 Ų | 44.4 | 16% | 0.163 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 156.7 | 178.1 | 68 | -177.5 | 84.2 | 0 | 0 | 111.4 | V298 M438 V445 L448 | V298-M440 HydrophobicContact CB-CG 3.76Å; V298-M440 HydrophobicContact CG1-CG 4.12Å; V298-M440 HydrophobicContact CG2-CG 4.49Å; V298-M440 PolarHBondContact N-O 2.83Å; V298-M440 PolarHBondContact O-N 2.88Å; M438-M440 HydrophobicContact SD-CE 4.11Å; M440-V445 HydrophobicContact SD-CG1 4.14Å; M440-L448 HydrophobicContact CB-CB 4.26Å; M440-L448 HydrophobicContact CB-CD1 4.49Å; M440-L448 HydrophobicContact CB-CG 4.26Å; M440-L448 HydrophobicContact CE-CD1 3.65Å; M440-L448 HydrophobicContact CE-CG 4.43Å; M440-L448 HydrophobicContact SD-CD1 4.45Å |
| 441 | S | 79.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 133 | 176.2 | -163.3 | 0 | 0 | 0 | 0 | 111.2 | A265 S443 D444 V445 | A265-S441 WeakPolarHBondContact O-CB 3.35Å; A265-S441 PolarHBondContact O-OG 3.47Å; S441-S443 PolarHBondContact O-N 3.44Å; S441-S443 PolarHBondContact OG-OG 3.18Å; S441-D444 CarbonylContact O-C 3.54Å; S441-D444 PolarHBondContact O-N 2.77Å; S441-D444 VanDerWaalsContact O-N 3.17Å; S441-V445 PolarHBondContact O-N 2.78Å |
| 442 | L | 71.8 | Confident | 81.8 | Confident | 118 Ų | 118 | 43.2 Ų | 43.2 | 62% | 0.618 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -27.2 | 170.3 | -71.8 | 175.4 | 0 | 0 | 0 | 112.4 | V298 | V298-L442 HydrophobicContact CG2-CD2 3.55Å; V298-L442 HydrophobicContact CG2-CG 3.87Å |
| 443 | S | 64.9 | Low | 81.9 | Confident | 95 Ų | 95 | 40.9 Ų | 40.9 | 66% | 0.664 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -18.9 | 175.3 | 42.9 | 0 | 0 | 0 | 0 | 114.3 | S441 | S441-S443 PolarHBondContact O-N 3.44Å; S441-S443 PolarHBondContact OG-OG 3.18Å |
| 444 | D | 65.4 | Low | 81.9 | Confident | 70 Ų | 70 | 45.3 Ų | 45.3 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 91 | 173 | -177.2 | 5.6 | 0 | 0 | 0 | 110.8 | S441 K446 S447 | S441-D444 CarbonylContact O-C 3.54Å; S441-D444 PolarHBondContact O-N 2.77Å; S441-D444 VanDerWaalsContact O-N 3.17Å; D444-K446 PolarHBondContact O-N 2.88Å; D444-K446 WeakPolarHBondContact OD1-CA 3.4Å; D444-K446 VanDerWaalsContact OD1-CB 3.3Å; D444-K446 WeakPolarHBondContact OD1-CB 3.3Å; D444-K446 PolarHBondContact OD1-N 3.05Å; D444-S447 WeakPolarHBondContact O-CB 3.4Å; D444-S447 PolarHBondContact O-N 3.43Å; D444-S447 PolarHBondContact O-OG 2.95Å; D444-S447 PolarHBondContact OD1-N 2.91Å; D444-S447 WeakPolarHBondContact OD2-CB 3.33Å |
| 445 | V | 65.4 | Low | 82 | Confident | 95 Ų | 95 | 45.1 Ų | 45.1 | 58% | 0.576 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | -16.4 | 179.1 | -174.2 | 0 | 0 | 0 | 0 | 112.2 | M440 S441 S447 | M440-V445 HydrophobicContact SD-CG1 4.14Å; S441-V445 PolarHBondContact O-N 2.78Å; V445-S447 VanDerWaalsContact C-N 3.32Å |
| 446 | K | 64.5 | Low | 81.9 | Confident | 187 Ų | 187 | 48.2 Ų | 48.2 | 81% | 0.813 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77 | -23.9 | 172.5 | -58.6 | 179.3 | 179 | 178 | 0 | 111.6 | D444 L448 | D444-K446 PolarHBondContact O-N 2.88Å; D444-K446 WeakPolarHBondContact OD1-CA 3.4Å; D444-K446 VanDerWaalsContact OD1-CB 3.3Å; D444-K446 WeakPolarHBondContact OD1-CB 3.3Å; D444-K446 PolarHBondContact OD1-N 3.05Å; K446-L448 PolarHBondContact O-N 3.06Å |
| 447 | S | 65.1 | Low | 81.8 | Confident | 17 Ų | 17 | 48.4 Ų | 48.4 | 12% | 0.119 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 64 | 178.1 | 77.8 | 0 | 0 | 0 | 0 | 111.9 | T266 D444 V445 | T266-S447 WeakPolarHBondContact OG1-CB 3.23Å; T266-S447 PolarHBondContact OG1-OG 2.81Å; T266-S447 VanDerWaalsContact OG1-OG 3.11Å; D444-S447 WeakPolarHBondContact O-CB 3.4Å; D444-S447 PolarHBondContact O-N 3.43Å; D444-S447 PolarHBondContact O-OG 2.95Å; D444-S447 PolarHBondContact OD1-N 2.91Å; D444-S447 WeakPolarHBondContact OD2-CB 3.33Å; V445-S447 VanDerWaalsContact C-N 3.32Å |
| 448 | L | 76.7 | Confident | 81.5 | Confident | 37 Ų | 37 | 51.7 Ų | 51.7 | 19% | 0.194 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 124.5 | -177.4 | -172.3 | 156 | 0 | 0 | 0 | 110.5 | P324 M438 T439 M440 K446 Y450 | P324-L448 HydrophobicContact CB-CD1 4.15Å; P324-L448 HydrophobicContact CG-CD1 3.38Å; P324-L448 HydrophobicContact CG-CD2 3.96Å; P324-L448 HydrophobicContact CG-CG 4.34Å; M438-L448 HydrophobicContact CE-CD2 4.33Å; M438-L448 HydrophobicContact CG-CD1 4.4Å; M438-L448 HydrophobicContact CG-CD2 3.87Å; M438-L448 HydrophobicContact CG-CG 4.1Å; M438-L448 HydrophobicContact SD-CD1 3.92Å; M438-L448 HydrophobicContact SD-CD2 4.1Å; M438-L448 HydrophobicContact SD-CG 4.26Å; T439-L448 WeakPolarHBondContact O-CA 3.13Å; M440-L448 HydrophobicContact CB-CB 4.26Å; M440-L448 HydrophobicContact CB-CD1 4.49Å; M440-L448 HydrophobicContact CB-CG 4.26Å; M440-L448 HydrophobicContact CE-CD1 3.65Å; M440-L448 HydrophobicContact CE-CG 4.43Å; M440-L448 HydrophobicContact SD-CD1 4.45Å; K446-L448 PolarHBondContact O-N 3.06Å; L448-Y450 HydrophobicContact CD2-CD1 3.87Å |
| 449 | E | 85.5 | Confident | 80.8 | Confident | 67 Ų | 67 | 57.8 Ų | 57.8 | 31% | 0.313 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 141.8 | 177 | -160.9 | -179.4 | 111.9 | 0 | 0 | 110 | I269 M438 T439 | I269-E449 WeakPolarHBondContact CB-OE1 3.45Å; I269-E449 HydrophobicContact CD1-CG 4.49Å; I269-E449 HydrophobicContact CG1-CG 4.5Å; I269-E449 WeakPolarHBondContact CG1-OE1 3.21Å; I269-E449 PolarHBondContact N-OE1 2.71Å; M438-E449 CarbonylContact C-O 3.55Å; M438-E449 WeakPolarHBondContact CA-O 3.34Å; T439-E449 HydrophobicContact CG2-CB 4.25Å; T439-E449 PolarHBondContact N-O 2.72Å; T439-E449 PolarHBondContact O-N 2.88Å |
| 450 | Y | 89.1 | Confident | 79.7 | Confident | 45 Ų | 45 | 60 Ų | 60 | 18% | 0.176 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 148.8 | 174.6 | 65.8 | -92.5 | 0 | 0 | 0 | 112.1 | L323 N325 I436 V437 L448 | L323-Y450 HydrophobicContact CD1-CE2 4.45Å; N325-Y450 PolarHBondContact O-OH 2.7Å; I436-Y450 HydrophobicContact CD1-CD2 4.29Å; I436-Y450 HydrophobicContact CG2-CD2 4.35Å; I436-Y450 HydrophobicContact CG2-CG 4.48Å; V437-Y450 WeakPolarHBondContact O-CA 3.02Å; L448-Y450 HydrophobicContact CD2-CD1 3.87Å |
| 451 | I | 88.7 | Confident | 78.7 | Confident | 29 Ų | 29 | 62.9 Ų | 62.9 | 15% | 0.149 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 138.2 | 175.6 | -162.4 | 173 | 0 | 0 | 0 | 110 | I269 V273 I436 V437 I453 | I269-I451 HydrophobicContact CD1-CB 4.1Å; I269-I451 HydrophobicContact CD1-CG2 3.93Å; I269-I451 HydrophobicContact CG2-CG2 4.05Å; V273-I451 HydrophobicContact CB-CD1 4.49Å; V273-I451 HydrophobicContact CG2-CD1 3.9Å; V273-I451 HydrophobicContact CG2-CG1 3.92Å; I436-I451 WeakPolarHBondContact CA-O 3.39Å; V437-I451 HydrophobicContact CG1-CG2 3.37Å; V437-I451 PolarHBondContact N-O 3.01Å; V437-I451 PolarHBondContact O-N 2.72Å; I451-I453 HydrophobicContact CG2-CD1 4.35Å; I451-I453 HydrophobicContact CG2-CG1 4.43Å |
| 452 | V | 89.2 | Confident | 77.7 | Confident | 23 Ų | 23 | 65.8 Ų | 65.8 | 14% | 0.139 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 136.4 | 176 | 177.7 | 0 | 0 | 0 | 0 | 109.6 | V273 K434 I436 Y454 | V273-V452 WeakPolarHBondContact CG1-O 3.34Å; K434-V452 HydrophobicContact CD-CG1 4.13Å; K434-V452 VanDerWaalsContact CE-CG1 3.49Å; K434-V452 HydrophobicContact CG-CG1 3.72Å; I436-V452 HydrophobicContact CD1-CG2 4.09Å; I436-V452 HydrophobicContact CG1-CG2 4.02Å; V452-Y454 HydrophobicContact CG1-CD2 3.99Å; V452-Y454 HydrophobicContact CG1-CE2 3.45Å; V452-Y454 VanDerWaalsContact CG1-CE2 3.45Å |
| 453 | I | 91.4 | Very high | 76.9 | Confident | 11 Ų | 11 | 66.6 Ų | 66.6 | 6% | 0.056 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 116.5 | 178.9 | -64.3 | 173.3 | 0 | 0 | 0 | 107.7 | Y276 V286 W301 Y435 V437 I451 V455 | Y276-I453 HydrophobicContact CD2-CG2 3.72Å; Y276-I453 HydrophobicContact CE2-CG2 4.05Å; V286-I453 HydrophobicContact CG1-CD1 3.9Å; V286-I453 HydrophobicContact CG1-CG2 4.23Å; W301-I453 HydrophobicContact CH2-CD1 4.18Å; W301-I453 HydrophobicContact CZ3-CD1 3.97Å; Y435-I453 WeakPolarHBondContact CA-O 3.38Å; Y435-I453 WeakPolarHBondContact CB-O 3.47Å; Y435-I453 PolarHBondContact N-O 2.9Å; Y435-I453 PolarHBondContact O-N 3.36Å; Y435-I453 VanDerWaalsContact O-O 3.14Å; V437-I453 HydrophobicContact CG1-CD1 4.21Å; I451-I453 HydrophobicContact CG2-CD1 4.35Å; I451-I453 HydrophobicContact CG2-CG1 4.43Å; I453-V455 HydrophobicContact CG2-CG2 4.3Å |
| 454 | Y | 92.5 | Very high | 76.5 | Confident | 111 Ų | 111 | 65.2 Ų | 65.2 | 44% | 0.435 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 135.8 | 172.5 | -65.6 | -89 | 0 | 0 | 0 | 110.4 | N275 Y276 K434 V452 | N275-Y454 CarbonylContact C-O 3.48Å; N275-Y454 VanDerWaalsContact CA-O 3.29Å; N275-Y454 WeakPolarHBondContact CA-O 3.37Å; N275-Y454 WeakPolarHBondContact OD1-CD2 3.11Å; N275-Y454 PolarHBondContact OD1-N 2.93Å; Y276-Y454 PolarHBondContact N-O 3.18Å; K434-Y454 HydrophobicContact CB-CD1 4.03Å; K434-Y454 HydrophobicContact CB-CE1 3.73Å; K434-Y454 HydrophobicContact CD-CE1 3.99Å; K434-Y454 HydrophobicContact CG-CD1 4.24Å; K434-Y454 HydrophobicContact CG-CE1 3.7Å; V452-Y454 HydrophobicContact CG1-CD2 3.99Å; V452-Y454 HydrophobicContact CG1-CE2 3.45Å; V452-Y454 VanDerWaalsContact CG1-CE2 3.45Å |
| 455 | V | 92.6 | Very high | 76.1 | Confident | 5 Ų | 5 | 69.5 Ų | 69.5 | 3% | 0.03 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 127.1 | 178.3 | -179.8 | 0 | 0 | 0 | 0 | 109 | Y276 F278 V286 F422 E432 G433 Y435 I453 I457 | Y276-V455 WeakPolarHBondContact O-CA 3.26Å; F278-V455 HydrophobicContact CD2-CG1 3.83Å; F278-V455 HydrophobicContact CE2-CG1 3.9Å; V286-V455 HydrophobicContact CG2-CG2 4.49Å; F422-V455 HydrophobicContact CE1-CG1 4.16Å; F422-V455 HydrophobicContact CE1-CG2 4.49Å; F422-V455 HydrophobicContact CZ-CG1 4.25Å; F422-V455 HydrophobicContact CZ-CG2 3.94Å; E432-V455 WeakPolarHBondContact CA-O 3.32Å; E432-V455 WeakPolarHBondContact CG-O 3.42Å; G433-V455 PolarHBondContact N-O 3.35Å; G433-V455 PolarHBondContact O-N 2.9Å; Y435-V455 HydrophobicContact CD2-CB 3.99Å; Y435-V455 HydrophobicContact CD2-CG2 3.66Å; Y435-V455 HydrophobicContact CE2-CB 4.05Å; Y435-V455 HydrophobicContact CE2-CG2 4.1Å; Y435-V455 HydrophobicContact CG-CG2 4.31Å; I453-V455 HydrophobicContact CG2-CG2 4.3Å; V455-I457 HydrophobicContact CG1-CD1 4.16Å |
| 456 | N | 91.1 | Very high | 75.9 | Confident | 65 Ų | 65 | 67.1 Ų | 67.1 | 35% | 0.348 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 138.6 | 178.8 | -176.3 | -24.1 | 0 | 0 | 0 | 109.7 | Y276 T277 F278 | Y276-N456 PolarHBondContact O-N 2.84Å; T277-N456 WeakPolarHBondContact CA-O 3.21Å; T277-N456 HydrophobicContact CG2-CB 4.34Å; F278-N456 PolarHBondContact N-O 2.9Å |
| 457 | I | 89.3 | Confident | 75.9 | Confident | 5 Ų | 5 | 66.2 Ų | 66.2 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 112.8 | -180 | -52.3 | -61.6 | 0 | 0 | 0 | 109.8 | F278 L426 K428 H431 E432 V455 | F278-I457 HydrophobicContact CB-CD1 4.23Å; F278-I457 HydrophobicContact CD2-CD1 4.35Å; F278-I457 WeakPolarHBondContact O-CA 3.2Å; L426-I457 HydrophobicContact CB-CG2 4.35Å; L426-I457 WeakPolarHBondContact O-CG2 3.36Å; K428-I457 HydrophobicContact CB-CB 4.21Å; K428-I457 HydrophobicContact CB-CG2 4.42Å; K428-I457 HydrophobicContact CG-CB 4.37Å; H431-I457 HydrophobicContact CB-CD1 4.12Å; H431-I457 HydrophobicContact CB-CG1 4.13Å; E432-I457 HydrophobicContact CB-CG1 4.33Å; V455-I457 HydrophobicContact CG1-CD1 4.16Å |
| 458 | V | 86.2 | Confident | 76 | Confident | 69 Ų | 69 | 72.5 Ų | 72.5 | 42% | 0.418 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 125.4 | -179.8 | 176.3 | 0 | 0 | 0 | 0 | 110.1 | T277 F278 K279 T280 | T277-V458 HydrophobicContact CG2-CB 4.42Å; T277-V458 HydrophobicContact CG2-CG2 3.56Å; F278-V458 PolarHBondContact O-N 3.28Å; K279-V458 VanDerWaalsContact CA-O 3.24Å; K279-V458 WeakPolarHBondContact CA-O 3.38Å; T280-V458 PolarHBondContact N-O 2.85Å |
| 459 | Q | 75.2 | Confident | 75.6 | Confident | 132 Ų | 132 | 74 Ų | 74 | 62% | 0.617 | 37% | 0.372 | S | S | * | . | trans | -74 | 133.1 | 175 | -169.6 | 173.9 | 38.3 | 0 | 0 | 110.6 | S461 | Q459-S461 PolarHBondContact O-N 2.86Š| ||
| 460 | D | 67.5 | Low | 74.9 | Confident | 47 Ų | 47 | 75.7 Ų | 75.7 | 25% | 0.251 | 38% | 0.383 | S | S | . | . | trans | -72 | 103.4 | 178.6 | -159.6 | -32.7 | 0 | 0 | 0 | 111.3 | K279 A462 F463 | K279-D460 IonicContact NZ-OD2 2.75Å; K279-D460 PolarHBondContact NZ-OD2 3.21Å; D460-A462 PolarHBondContact O-N 3.32Å; D460-A462 WeakPolarHBondContact OD1-CB 3.41Å; D460-A462 PolarHBondContact OD1-N 2.95Å; D460-F463 PolarHBondContact O-N 3.31Å | ||
| 461 | S | 60.8 | Low | 74.3 | Confident | 92 Ų | 92 | 78 Ų | 78 | 64% | 0.643 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.4 | -22.3 | 177.6 | 69.3 | 0 | 0 | 0 | 0 | 113.8 | Q459 K465 | Q459-S461 PolarHBondContact O-N 2.86Å; S461-K465 WeakPolarHBondContact O-CB 3.37Å; S461-K465 PolarHBondContact O-N 2.93Å |
| 462 | A | 59.4 | Low | 73.9 | Confident | 61 Ų | 61 | 84.8 Ų | 84.8 | 50% | 0.504 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D460 L464 K465 G466 | D460-A462 PolarHBondContact O-N 3.32Å; D460-A462 WeakPolarHBondContact OD1-CB 3.41Å; D460-A462 PolarHBondContact OD1-N 2.95Å; A462-L464 PolarHBondContact O-N 3.02Å; A462-K465 PolarHBondContact O-N 3.05Å; A462-G466 PolarHBondContact O-N 3.41Å |
| 463 | F | 54.9 | Low | 73.6 | Confident | 136 Ų | 136 | 91 Ų | 91 | 60% | 0.596 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.9 | -43.7 | -178.9 | -168.6 | -98.1 | 0 | 0 | 0 | 111.7 | D460 R467 | D460-F463 PolarHBondContact O-N 3.31Å; F463-R467 WeakPolarHBondContact O-CB 3.15Å; F463-R467 PolarHBondContact O-N 3.11Å; F463-R467 VanDerWaalsContact O-N 3.17Å |
| 464 | L | 55.7 | Low | 73.4 | Confident | 66 Ų | 66 | 95.4 Ų | 95.4 | 35% | 0.346 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.2 | -36.5 | 174.8 | -77.2 | 170.2 | 0 | 0 | 0 | 112.4 | A462 R468 | A462-L464 PolarHBondContact O-N 3.02Å; L464-R468 WeakPolarHBondContact O-CB 3.16Å; L464-R468 WeakPolarHBondContact O-CD 3.27Å; L464-R468 WeakPolarHBondContact O-CG 3.46Å; L464-R468 PolarHBondContact O-N 2.73Å |
| 465 | K | 58.4 | Low | 73.2 | Confident | 159 Ų | 159 | 94 Ų | 94 | 69% | 0.691 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -69.7 | -49.1 | 179.6 | -156 | 170 | -173 | 176.6 | 0 | 111.4 | S461 A462 R468 V469 | S461-K465 WeakPolarHBondContact O-CB 3.37Å; S461-K465 PolarHBondContact O-N 2.93Å; A462-K465 PolarHBondContact O-N 3.05Å; K465-R468 PolarHBondContact O-N 2.89Å; K465-V469 WeakPolarHBondContact O-CB 3.35Å; K465-V469 VanDerWaalsContact O-CG2 3.25Å; K465-V469 WeakPolarHBondContact O-CG2 3.32Å; K465-V469 PolarHBondContact O-N 2.92Å |
| 466 | G | 60.4 | Low | 72.9 | Confident | 45 Ų | 45 | 97.3 Ų | 97.3 | 46% | 0.464 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.9 | -49.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | A462 R468 V469 L470 | A462-G466 PolarHBondContact O-N 3.41Å; G466-R468 PolarHBondContact O-N 3.39Å; G466-V469 PolarHBondContact O-N 3.34Å; G466-L470 PolarHBondContact O-N 3.23Å |
| 467 | R | 64.4 | Low | 72.9 | Confident | 169 Ų | 169 | 100 Ų | 100 | 64% | 0.638 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.3 | -33.9 | -178 | -163.6 | 171.9 | -176.1 | 175.6 | 1 | 113 | F463 I471 | F463-R467 WeakPolarHBondContact O-CB 3.15Å; F463-R467 PolarHBondContact O-N 3.11Å; F463-R467 VanDerWaalsContact O-N 3.17Å; R467-I471 WeakPolarHBondContact O-CD1 3.07Å; R467-I471 WeakPolarHBondContact O-CG1 3.43Å; R467-I471 PolarHBondContact O-N 3.24Å |
| 468 | R | 67.2 | Low | 72.9 | Confident | 148 Ų | 148 | 101.5 Ų | 101.5 | 56% | 0.558 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.7 | -44.3 | 173.4 | -72.3 | 176.6 | -174.4 | -167.6 | 3.2 | 112 | L464 K465 G466 L470 I471 Y472 | L464-R468 WeakPolarHBondContact O-CB 3.16Å; L464-R468 WeakPolarHBondContact O-CD 3.27Å; L464-R468 WeakPolarHBondContact O-CG 3.46Å; L464-R468 PolarHBondContact O-N 2.73Å; K465-R468 PolarHBondContact O-N 2.89Å; G466-R468 PolarHBondContact O-N 3.39Å; R468-L470 VanDerWaalsContact C-N 3.3Å; R468-L470 PolarHBondContact O-N 2.91Å; R468-I471 PolarHBondContact O-N 2.86Å; R468-I471 VanDerWaalsContact O-N 3.14Å; R468-Y472 HydrophobicContact CB-CD2 4.42Å; R468-Y472 HydrophobicContact CB-CE2 4.17Å; R468-Y472 WeakPolarHBondContact O-CD2 3.31Å; R468-Y472 PolarHBondContact O-N 3.38Å |
| 469 | V | 68.4 | Low | 73.2 | Confident | 69 Ų | 69 | 103.2 Ų | 103.2 | 42% | 0.418 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.5 | -43.3 | 176.7 | 167.6 | 0 | 0 | 0 | 0 | 111.2 | K465 G466 I471 Y472 F473 | K465-V469 WeakPolarHBondContact O-CB 3.35Å; K465-V469 VanDerWaalsContact O-CG2 3.25Å; K465-V469 WeakPolarHBondContact O-CG2 3.32Å; K465-V469 PolarHBondContact O-N 2.92Å; G466-V469 PolarHBondContact O-N 3.34Å; V469-I471 VanDerWaalsContact C-N 3.32Å; V469-I471 PolarHBondContact O-N 3.38Å; V469-Y472 PolarHBondContact O-N 2.86Å; V469-F473 HydrophobicContact CG1-CD2 3.82Å; V469-F473 HydrophobicContact CG1-CE2 3.8Å; V469-F473 WeakPolarHBondContact O-CD2 3.21Å; V469-F473 PolarHBondContact O-N 3.29Å; V469-F473 VanDerWaalsContact O-N 3.12Å |
| 470 | L | 70.3 | Confident | 74.1 | Confident | 103 Ų | 103 | 101.5 Ų | 101.5 | 54% | 0.539 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.4 | -42.7 | 176.4 | -167.8 | 74.2 | 0 | 0 | 0 | 112.4 | G466 R468 F473 L474 | G466-L470 PolarHBondContact O-N 3.23Å; R468-L470 VanDerWaalsContact C-N 3.3Å; R468-L470 PolarHBondContact O-N 2.91Å; L470-F473 PolarHBondContact O-N 2.93Å; L470-L474 HydrophobicContact CD1-CD1 4.08Å; L470-L474 HydrophobicContact CD1-CG 4.34Å; L470-L474 HydrophobicContact CD2-CD1 4.15Å; L470-L474 HydrophobicContact CG-CD1 3.74Å; L470-L474 HydrophobicContact CG-CG 4.23Å; L470-L474 WeakPolarHBondContact O-CB 3.46Å; L470-L474 WeakPolarHBondContact O-CG 3.44Å; L470-L474 PolarHBondContact O-N 2.78Å |
| 471 | I | 77.6 | Confident | 75.3 | Confident | 94 Ų | 94 | 103.6 Ų | 103.6 | 48% | 0.482 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 177.3 | -66.6 | 165.8 | 0 | 0 | 0 | 111 | R467 R468 V469 F473 L474 V475 | R467-I471 WeakPolarHBondContact O-CD1 3.07Å; R467-I471 WeakPolarHBondContact O-CG1 3.43Å; R467-I471 PolarHBondContact O-N 3.24Å; R468-I471 PolarHBondContact O-N 2.86Å; R468-I471 VanDerWaalsContact O-N 3.14Å; V469-I471 VanDerWaalsContact C-N 3.32Å; V469-I471 PolarHBondContact O-N 3.38Å; I471-F473 PolarHBondContact O-N 3.23Å; I471-L474 PolarHBondContact O-N 3.36Å; I471-V475 HydrophobicContact CG2-CG2 3.94Å; I471-V475 WeakPolarHBondContact O-CB 3.46Å; I471-V475 WeakPolarHBondContact O-CG2 3.46Å; I471-V475 PolarHBondContact O-N 3.01Å |
| 472 | Y | 79.9 | Confident | 76.8 | Confident | 171 Ų | 171 | 101.8 Ų | 101.8 | 67% | 0.671 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.6 | -22.4 | 178.4 | -72.7 | -60.1 | 0 | 0 | 0 | 114.1 | R468 V469 P476 | R468-Y472 HydrophobicContact CB-CD2 4.42Å; R468-Y472 HydrophobicContact CB-CE2 4.17Å; R468-Y472 WeakPolarHBondContact O-CD2 3.31Å; R468-Y472 PolarHBondContact O-N 3.38Å; V469-Y472 PolarHBondContact O-N 2.86Å; Y472-P476 WeakPolarHBondContact O-CD 3.2Å; Y472-P476 VanDerWaalsContact O-CG 3.26Å; Y472-P476 WeakPolarHBondContact O-CG 3.4Å |
| 473 | F | 82.8 | Confident | 78.4 | Confident | 154 Ų | 154 | 103.4 Ų | 103.4 | 68% | 0.675 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -90.1 | -47 | 170.8 | -78.5 | -69.4 | 0 | 0 | 0 | 112.9 | V469 L470 I471 F477 | V469-F473 HydrophobicContact CG1-CD2 3.82Å; V469-F473 HydrophobicContact CG1-CE2 3.8Å; V469-F473 WeakPolarHBondContact O-CD2 3.21Å; V469-F473 PolarHBondContact O-N 3.29Å; V469-F473 VanDerWaalsContact O-N 3.12Å; L470-F473 PolarHBondContact O-N 2.93Å; I471-F473 PolarHBondContact O-N 3.23Å; F473-F477 VanDerWaalsContact O-CB 3.25Å; F473-F477 WeakPolarHBondContact O-CB 3.26Å; F473-F477 PolarHBondContact O-N 3.21Å |
| 474 | L | 86.1 | Confident | 80.3 | Confident | 103 Ų | 103 | 101.5 Ų | 101.5 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.6 | -36.8 | -174.2 | -69.3 | -178.1 | 0 | 0 | 0 | 113.5 | L470 I471 G478 | L470-L474 HydrophobicContact CD1-CD1 4.08Å; L470-L474 HydrophobicContact CD1-CG 4.34Å; L470-L474 HydrophobicContact CD2-CD1 4.15Å; L470-L474 HydrophobicContact CG-CD1 3.74Å; L470-L474 HydrophobicContact CG-CG 4.23Å; L470-L474 WeakPolarHBondContact O-CB 3.46Å; L470-L474 WeakPolarHBondContact O-CG 3.44Å; L470-L474 PolarHBondContact O-N 2.78Å; I471-L474 PolarHBondContact O-N 3.36Å; L474-G478 PolarHBondContact O-N 2.84Å |
| 475 | V | 88.7 | Confident | 82 | Confident | 81 Ų | 81 | 100.3 Ų | 100.3 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.8 | -49.7 | -176.9 | 175.5 | 0 | 0 | 0 | 0 | 112 | I471 F477 G478 L479 | I471-V475 HydrophobicContact CG2-CG2 3.94Å; I471-V475 WeakPolarHBondContact O-CB 3.46Å; I471-V475 WeakPolarHBondContact O-CG2 3.46Å; I471-V475 PolarHBondContact O-N 3.01Å; V475-F477 VanDerWaalsContact C-N 3.32Å; V475-F477 PolarHBondContact O-N 3.4Å; V475-G478 PolarHBondContact O-N 2.82Å; V475-L479 HydrophobicContact CG1-CD1 4.06Å; V475-L479 WeakPolarHBondContact O-CG 3.4Å; V475-L479 PolarHBondContact O-N 3.41Å |
| 476 | P | 87.5 | Confident | 83.6 | Confident | 74 Ų | 74 | 98.1 Ų | 98.1 | 48% | 0.481 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -36.2 | 174.8 | -24.2 | 37 | 0 | 0 | 0 | 113 | Y472 L479 L480 | Y472-P476 WeakPolarHBondContact O-CD 3.2Å; Y472-P476 VanDerWaalsContact O-CG 3.26Å; Y472-P476 WeakPolarHBondContact O-CG 3.4Å; P476-L479 PolarHBondContact O-N 2.93Å; P476-L480 WeakPolarHBondContact O-CB 3.24Å; P476-L480 PolarHBondContact O-N 2.78Å |
| 477 | F | 90.4 | Very high | 85 | Confident | 122 Ų | 122 | 100.1 Ų | 100.1 | 54% | 0.535 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.1 | -42.8 | 177.1 | -171.3 | -106.4 | 0 | 0 | 0 | 112.1 | F473 V475 L480 L481 | F473-F477 VanDerWaalsContact O-CB 3.25Å; F473-F477 WeakPolarHBondContact O-CB 3.26Å; F473-F477 PolarHBondContact O-N 3.21Å; V475-F477 VanDerWaalsContact C-N 3.32Å; V475-F477 PolarHBondContact O-N 3.4Å; F477-L480 PolarHBondContact O-N 3.07Å; F477-L481 HydrophobicContact CD1-CD1 3.91Å; F477-L481 HydrophobicContact CE1-CD1 3.58Å; F477-L481 HydrophobicContact CE1-CG 4.3Å; F477-L481 HydrophobicContact CZ-CD1 4.14Å; F477-L481 HydrophobicContact CZ-CG 4.5Å; F477-L481 WeakPolarHBondContact O-CG 3.38Å; F477-L481 PolarHBondContact O-N 3.37Å |
| 478 | G | 90.2 | Very high | 86.2 | Confident | 37 Ų | 37 | 94.6 Ų | 94.6 | 38% | 0.381 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | L474 V475 L481 A482 | L474-G478 PolarHBondContact O-N 2.84Å; V475-G478 PolarHBondContact O-N 2.82Å; G478-L481 PolarHBondContact O-N 3.48Å; G478-A482 WeakPolarHBondContact O-CB 3.39Å; G478-A482 PolarHBondContact O-N 3.07Å |
| 479 | L | 92.6 | Very high | 87.2 | Confident | 105 Ų | 105 | 93.8 Ų | 93.8 | 55% | 0.55 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 174 | -71.7 | 170.4 | 0 | 0 | 0 | 112.1 | V475 P476 A482 I483 | V475-L479 HydrophobicContact CG1-CD1 4.06Å; V475-L479 WeakPolarHBondContact O-CG 3.4Å; V475-L479 PolarHBondContact O-N 3.41Å; P476-L479 PolarHBondContact O-N 2.93Å; L479-A482 PolarHBondContact O-N 3.3Å; L479-I483 VanDerWaalsContact O-CG1 3.28Å; L479-I483 WeakPolarHBondContact O-CG1 3.21Å; L479-I483 PolarHBondContact O-N 3.11Å |
| 480 | L | 92.7 | Very high | 88 | Confident | 95 Ų | 95 | 95 Ų | 95 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 175.2 | -174.1 | 73.8 | 0 | 0 | 0 | 111.2 | P476 F477 A482 I483 L484 | P476-L480 WeakPolarHBondContact O-CB 3.24Å; P476-L480 PolarHBondContact O-N 2.78Å; F477-L480 PolarHBondContact O-N 3.07Å; L480-A482 PolarHBondContact O-N 2.89Å; L480-I483 PolarHBondContact O-N 2.83Å; L480-L484 HydrophobicContact CG-CD1 4.12Å; L480-L484 WeakPolarHBondContact O-CB 3.37Å; L480-L484 VanDerWaalsContact O-CG 3.3Å; L480-L484 WeakPolarHBondContact O-CG 3.27Å; L480-L484 PolarHBondContact O-N 2.88Å |
| 481 | L | 93.5 | Very high | 88.5 | Confident | 92 Ų | 92 | 96.4 Ų | 96.4 | 48% | 0.482 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 176.2 | -71 | 176.4 | 0 | 0 | 0 | 112.4 | F477 G478 L484 G485 | F477-L481 HydrophobicContact CD1-CD1 3.91Å; F477-L481 HydrophobicContact CE1-CD1 3.58Å; F477-L481 HydrophobicContact CE1-CG 4.3Å; F477-L481 HydrophobicContact CZ-CD1 4.14Å; F477-L481 HydrophobicContact CZ-CG 4.5Å; F477-L481 WeakPolarHBondContact O-CG 3.38Å; F477-L481 PolarHBondContact O-N 3.37Å; G478-L481 PolarHBondContact O-N 3.48Å; L481-L484 PolarHBondContact O-N 3.27Å; L481-G485 PolarHBondContact O-N 2.83Å |
| 482 | A | 92.6 | Very high | 88.7 | Confident | 54 Ų | 54 | 95.9 Ų | 95.9 | 45% | 0.446 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G478 L479 L480 G485 L486 | G478-A482 WeakPolarHBondContact O-CB 3.39Å; G478-A482 PolarHBondContact O-N 3.07Å; L479-A482 PolarHBondContact O-N 3.3Å; L480-A482 PolarHBondContact O-N 2.89Å; A482-G485 PolarHBondContact O-N 3.4Å; A482-L486 WeakPolarHBondContact O-CG 3.33Å; A482-L486 PolarHBondContact O-N 3.3Å |
| 483 | I | 93.3 | Very high | 88.3 | Confident | 95 Ų | 95 | 93.1 Ų | 93.1 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.4 | -45.7 | 176 | -69.3 | 163.7 | 0 | 0 | 0 | 110.8 | L479 L480 G485 L486 I487 | L479-I483 VanDerWaalsContact O-CG1 3.28Å; L479-I483 WeakPolarHBondContact O-CG1 3.21Å; L479-I483 PolarHBondContact O-N 3.11Å; L480-I483 PolarHBondContact O-N 2.83Å; I483-G485 VanDerWaalsContact C-N 3.32Å; I483-G485 PolarHBondContact O-N 2.85Å; I483-L486 PolarHBondContact O-N 2.91Å; I483-I487 HydrophobicContact CG2-CD1 3.86Å; I483-I487 VanDerWaalsContact O-CG1 3.31Å; I483-I487 WeakPolarHBondContact O-CG1 3.4Å; I483-I487 PolarHBondContact O-N 3.35Å |
| 484 | L | 93.3 | Very high | 87.4 | Confident | 96 Ų | 96 | 94.7 Ų | 94.7 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 175.5 | -71.4 | 169.5 | 0 | 0 | 0 | 111.7 | L480 L481 I487 A488 | L480-L484 HydrophobicContact CG-CD1 4.12Å; L480-L484 WeakPolarHBondContact O-CB 3.37Å; L480-L484 VanDerWaalsContact O-CG 3.3Å; L480-L484 WeakPolarHBondContact O-CG 3.27Å; L480-L484 PolarHBondContact O-N 2.88Å; L481-L484 PolarHBondContact O-N 3.27Å; L484-I487 PolarHBondContact O-N 2.87Å; L484-A488 WeakPolarHBondContact O-CB 3.35Å; L484-A488 PolarHBondContact O-N 3.43Å |
| 485 | G | 92.3 | Very high | 86.1 | Confident | 40 Ų | 40 | 100.2 Ų | 100.2 | 41% | 0.412 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | L481 A482 I483 A488 Y489 | L481-G485 PolarHBondContact O-N 2.83Å; A482-G485 PolarHBondContact O-N 3.4Å; I483-G485 VanDerWaalsContact C-N 3.32Å; I483-G485 PolarHBondContact O-N 2.85Å; G485-A488 PolarHBondContact O-N 2.91Å; G485-Y489 VanDerWaalsContact O-CB 3.3Å; G485-Y489 WeakPolarHBondContact O-CB 3.36Å; G485-Y489 PolarHBondContact O-N 3.23Å |
| 486 | L | 91.7 | Very high | 84.6 | Confident | 114 Ų | 114 | 104.5 Ų | 104.5 | 60% | 0.597 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.7 | -39.5 | 175 | -77.7 | 167.8 | 0 | 0 | 0 | 112.6 | A482 I483 M490 | A482-L486 WeakPolarHBondContact O-CG 3.33Å; A482-L486 PolarHBondContact O-N 3.3Å; I483-L486 PolarHBondContact O-N 2.91Å; L486-M490 WeakPolarHBondContact O-CB 3.48Å; L486-M490 VanDerWaalsContact O-CG 3.26Å; L486-M490 WeakPolarHBondContact O-CG 3.47Å; L486-M490 PolarHBondContact O-N 2.89Å |
| 487 | I | 90.6 | Very high | 82.6 | Confident | 86 Ų | 86 | 112 Ų | 112 | 44% | 0.441 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.8 | -46.5 | 175.4 | -68 | 165 | 0 | 0 | 0 | 110.4 | I483 L484 M490 F491 | I483-I487 HydrophobicContact CG2-CD1 3.86Å; I483-I487 VanDerWaalsContact O-CG1 3.31Å; I483-I487 WeakPolarHBondContact O-CG1 3.4Å; I483-I487 PolarHBondContact O-N 3.35Å; L484-I487 PolarHBondContact O-N 2.87Å; I487-M490 PolarHBondContact O-N 3.03Å; I487-F491 HydrophobicContact CG2-CD2 4.09Å; I487-F491 HydrophobicContact CG2-CE2 4.3Å; I487-F491 PolarHBondContact O-N 3.46Å |
| 488 | A | 88 | Confident | 80.6 | Confident | 53 Ų | 53 | 110.8 Ų | 110.8 | 44% | 0.438 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.9 | -45.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L484 G485 M490 F491 V492 | L484-A488 WeakPolarHBondContact O-CB 3.35Å; L484-A488 PolarHBondContact O-N 3.43Å; G485-A488 PolarHBondContact O-N 2.91Å; A488-M490 PolarHBondContact O-N 3.33Å; A488-F491 PolarHBondContact O-N 2.89Å; A488-V492 WeakPolarHBondContact O-CG2 3.45Å; A488-V492 PolarHBondContact O-N 3.44Å |
| 489 | Y | 88.4 | Confident | 78.4 | Confident | 131 Ų | 131 | 114.2 Ų | 114.2 | 51% | 0.514 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -55.7 | -49.8 | 173.8 | -178.7 | -87.2 | 0 | 0 | 0 | 111.3 | G485 F491 V492 F493 | G485-Y489 VanDerWaalsContact O-CB 3.3Å; G485-Y489 WeakPolarHBondContact O-CB 3.36Å; G485-Y489 PolarHBondContact O-N 3.23Å; Y489-F491 VanDerWaalsContact C-N 3.32Å; Y489-F491 PolarHBondContact O-N 3Å; Y489-V492 PolarHBondContact O-N 2.99Å; Y489-F493 HydrophobicContact CD1-CD2 4.07Å; Y489-F493 AromaticContact CD2-CD2 3.83Å; Y489-F493 HydrophobicContact CD2-CD2 3.83Å; Y489-F493 AromaticContact CD2-CE2 3.65Å; Y489-F493 HydrophobicContact CD2-CE2 3.65Å; Y489-F493 AromaticContact CE1-CD2 3.89Å; Y489-F493 HydrophobicContact CE1-CD2 3.89Å; Y489-F493 HydrophobicContact CE1-CE2 4.28Å; Y489-F493 HydrophobicContact CE1-CG 4.27Å; Y489-F493 AromaticContact CE2-CD2 3.65Å; Y489-F493 HydrophobicContact CE2-CD2 3.65Å; Y489-F493 AromaticContact CE2-CE2 3.23Å; Y489-F493 HydrophobicContact CE2-CE2 3.23Å; Y489-F493 AromaticContact CE2-CZ 3.9Å; Y489-F493 HydrophobicContact CE2-CZ 3.9Å; Y489-F493 HydrophobicContact CG-CD2 4.03Å; Y489-F493 HydrophobicContact CG-CE2 4.33Å; Y489-F493 AromaticContact CZ-CD2 3.67Å; Y489-F493 AromaticContact CZ-CE2 3.59Å; Y489-F493 WeakPolarHBondContact O-CD2 3.39Å; Y489-F493 PolarHBondContact O-N 3.48Å |
| 490 | M | 85.6 | Confident | 76 | Confident | 95 Ų | 95 | 116.8 Ų | 116.8 | 47% | 0.468 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.9 | -37.8 | 178.6 | -75.8 | -72.4 | -112 | 0 | 0 | 112.8 | L486 I487 A488 R494 | L486-M490 WeakPolarHBondContact O-CB 3.48Å; L486-M490 VanDerWaalsContact O-CG 3.26Å; L486-M490 WeakPolarHBondContact O-CG 3.47Å; L486-M490 PolarHBondContact O-N 2.89Å; I487-M490 PolarHBondContact O-N 3.03Å; A488-M490 PolarHBondContact O-N 3.33Å; M490-R494 WeakPolarHBondContact O-CB 3.43Å; M490-R494 WeakPolarHBondContact O-CG 3.48Å; M490-R494 PolarHBondContact O-N 3Å |
| 491 | F | 82.1 | Confident | 73.3 | Confident | 133 Ų | 133 | 120.8 Ų | 120.8 | 58% | 0.583 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.7 | -44 | 174.4 | -96.8 | -84 | 0 | 0 | 0 | 113 | I487 A488 Y489 R495 | I487-F491 HydrophobicContact CG2-CD2 4.09Å; I487-F491 HydrophobicContact CG2-CE2 4.3Å; I487-F491 PolarHBondContact O-N 3.46Å; A488-F491 PolarHBondContact O-N 2.89Å; Y489-F491 VanDerWaalsContact C-N 3.32Å; Y489-F491 PolarHBondContact O-N 3Å; F491-R495 PolarHBondContact O-N 3.07Å; F491-R495 VanDerWaalsContact O-N 3.1Å |
| 492 | V | 80.1 | Confident | 70.8 | Confident | 82 Ų | 82 | 123.6 Ų | 123.6 | 50% | 0.497 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64.5 | -44.7 | 179.2 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | A488 Y489 | A488-V492 WeakPolarHBondContact O-CG2 3.45Å; A488-V492 PolarHBondContact O-N 3.44Å; Y489-V492 PolarHBondContact O-N 2.99Å |
| 493 | F | 72.1 | Confident | 68.2 | Low | 113 Ų | 113 | 128 Ų | 128 | 50% | 0.496 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -75.4 | -34 | -179.4 | -82.2 | -93.5 | 0 | 0 | 0 | 113.1 | Y489 R495 K496 | Y489-F493 HydrophobicContact CD1-CD2 4.07Å; Y489-F493 AromaticContact CD2-CD2 3.83Å; Y489-F493 HydrophobicContact CD2-CD2 3.83Å; Y489-F493 AromaticContact CD2-CE2 3.65Å; Y489-F493 HydrophobicContact CD2-CE2 3.65Å; Y489-F493 AromaticContact CE1-CD2 3.89Å; Y489-F493 HydrophobicContact CE1-CD2 3.89Å; Y489-F493 HydrophobicContact CE1-CE2 4.28Å; Y489-F493 HydrophobicContact CE1-CG 4.27Å; Y489-F493 AromaticContact CE2-CD2 3.65Å; Y489-F493 HydrophobicContact CE2-CD2 3.65Å; Y489-F493 AromaticContact CE2-CE2 3.23Å; Y489-F493 HydrophobicContact CE2-CE2 3.23Å; Y489-F493 AromaticContact CE2-CZ 3.9Å; Y489-F493 HydrophobicContact CE2-CZ 3.9Å; Y489-F493 HydrophobicContact CG-CD2 4.03Å; Y489-F493 HydrophobicContact CG-CE2 4.33Å; Y489-F493 AromaticContact CZ-CD2 3.67Å; Y489-F493 AromaticContact CZ-CE2 3.59Å; Y489-F493 WeakPolarHBondContact O-CD2 3.39Å; Y489-F493 PolarHBondContact O-N 3.48Å; F493-R495 VanDerWaalsContact C-N 3.35Å; F493-R495 PolarHBondContact O-N 3.11Å; F493-K496 PolarHBondContact O-N 3.01Å |
| 494 | R | 64.1 | Low | 65.5 | Low | 187 Ų | 187 | 128.8 Ų | 128.8 | 71% | 0.706 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67.1 | -32.6 | 172.7 | -74.2 | 176.1 | 176.6 | -168.1 | -2.6 | 112.7 | M490 K496 | M490-R494 WeakPolarHBondContact O-CB 3.43Å; M490-R494 WeakPolarHBondContact O-CG 3.48Å; M490-R494 PolarHBondContact O-N 3Å; R494-K496 VanDerWaalsContact C-N 3.25Å; R494-K496 PolarHBondContact O-N 3.26Å |
| 495 | R | 59.2 | Low | 62.9 | Low | 220 Ų | 220 | 129.5 Ų | 129.5 | 83% | 0.83 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -9.6 | 173.3 | -81.2 | -174.3 | 169 | 178.5 | -2.7 | 114.9 | F491 F493 | F491-R495 PolarHBondContact O-N 3.07Å; F491-R495 VanDerWaalsContact O-N 3.1Å; F493-R495 VanDerWaalsContact C-N 3.35Å; F493-R495 PolarHBondContact O-N 3.11Å |
| 496 | K | 55.8 | Low | 60.7 | Low | 170 Ų | 170 | 132 Ų | 132 | 74% | 0.739 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 13.3 | 177.7 | -77.5 | -168.9 | 172.8 | -174.4 | 0 | 114.9 | F493 R494 | F493-K496 PolarHBondContact O-N 3.01Å; R494-K496 VanDerWaalsContact C-N 3.25Å; R494-K496 PolarHBondContact O-N 3.26Å |
| 497 | R | 46.7 | Very low | 58.6 | Low | 233 Ų | 233 | 133.5 Ų | 133.5 | 88% | 0.879 | 68% | 0.681 | S | S | * | * | trans | -127.8 | 86.5 | 172.8 | -83.8 | -174 | 170.2 | 166.7 | -2.4 | 113.2 | ||||
| 498 | A | 47.4 | Very low | 56.4 | Low | 95 Ų | 95 | 138.2 Ų | 138.2 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | trans | -122.3 | 134.6 | 142.3 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 499 | P | 44.5 | Very low | 54.2 | Low | 110 Ų | 110 | 147.1 Ų | 147.1 | 71% | 0.714 | 72% | 0.723 | S | S | * | * | -146.5 | 155.1 | 99.7 | 38.2 | -23 | 0 | 0 | 0 | 115.8 | |||||
| 500 | N | 42.6 | Very low | 51.9 | Low | 158 Ų | 158 | 146.1 Ų | 146.1 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | trans | 54.8 | 130.4 | 140.9 | -55.7 | -3.8 | 0 | 0 | 0 | 121.6 | ||||
| 501 | H | 36.3 | Very low | 49.6 | Very low | 179 Ų | 179 | 148.7 Ų | 148.7 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | trans | -59.6 | 155.9 | 162.8 | -74.1 | -124.1 | 0 | 0 | 0 | 112.4 | ||||
| 502 | L | 39.8 | Very low | 47.4 | Very low | 152 Ų | 152 | 149.7 Ų | 149.7 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | -176 | 141.6 | 109.8 | -92 | 157 | 0 | 0 | 0 | 111.4 | |||||
| 503 | I | 38.1 | Very low | 45.2 | Very low | 146 Ų | 146 | 156.6 Ų | 156.6 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | 46.7 | 102.8 | 149.2 | -61.4 | 169.8 | 0 | 0 | 0 | 116.6 | ||||
| 504 | S | 36.5 | Very low | 43.4 | Very low | 111 Ų | 111 | 157.4 Ų | 157.4 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | 66.4 | 111.7 | 64.4 | -169.9 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 505 | S | 39.7 | Very low | 42 | Very low | 111 Ų | 111 | 152.7 Ų | 152.7 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | 158 | 136.6 | 127.9 | -171.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 506 | S | 44.7 | Very low | 40.6 | Very low | 93 Ų | 93 | 150.7 Ų | 150.7 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | trans | 67.6 | 143.2 | 160.2 | -145.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 507 | N | 48 | Very low | 39.6 | Very low | 146 Ų | 146 | 149.6 Ų | 149.6 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | trans | 68.5 | 119.1 | 169.1 | -40.5 | -22.4 | 0 | 0 | 0 | 114.4 | ||||
| 508 | E | 45.5 | Very low | 38.9 | Very low | 185 Ų | 185 | 143.8 Ų | 143.8 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | cis | -137.1 | 138.5 | -1.1 | -57 | 178.7 | 118.6 | 0 | 0 | 107.3 | ||||
| 509 | R | 40.9 | Very low | 38.9 | Very low | 240 Ų | 240 | 144 Ų | 144 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | 78.5 | 134.9 | 61.2 | -112 | -177.7 | -175.5 | 176.9 | 2 | 115.4 | |||||
| 510 | C | 40 | Very low | 38.4 | Very low | 109 Ų | 109 | 148.4 Ų | 148.4 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | 71.1 | 122.2 | -176.5 | -62.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 511 | I | 38.2 | Very low | 37.9 | Very low | 149 Ų | 149 | 144.3 Ų | 144.3 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | cis | 78.2 | 125.4 | 41.5 | -57.5 | 166.8 | 0 | 0 | 0 | 109.6 | ||||
| 512 | L | 36.4 | Very low | 37.8 | Very low | 154 Ų | 154 | 145.5 Ų | 145.5 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | cis | -143.9 | 173.8 | 23.1 | -131.9 | 151.2 | 0 | 0 | 0 | 112.8 | ||||
| 513 | R | 32.2 | Very low | 37.7 | Very low | 228 Ų | 228 | 144.7 Ų | 144.7 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -86 | 135.8 | 159.3 | -64 | 172.1 | 173.2 | 141.5 | -6.8 | 110.5 | ||||
| 514 | T | 35.5 | Very low | 37.6 | Very low | 130 Ų | 130 | 144 Ų | 144 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | trans | -176 | 130.8 | 150 | 29.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 515 | A | 33.7 | Very low | 37.8 | Very low | 87 Ų | 87 | 146 Ų | 146 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | 66.9 | 113.4 | 64.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 516 | E | 31.3 | Very low | 38.2 | Very low | 179 Ų | 179 | 145.3 Ų | 145.3 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | trans | 66.8 | 137.2 | 160.3 | -61.7 | -168.9 | 162.4 | 0 | 0 | 122.1 | ||||
| 517 | L | 34.2 | Very low | 38 | Very low | 147 Ų | 147 | 148.7 Ų | 148.7 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | 55.4 | 120.7 | 145 | -91.2 | 76.9 | 0 | 0 | 0 | 122.8 | ||||
| 518 | S | 32.3 | Very low | 37.6 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | 79.7 | 166.1 | 130.6 | -93 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 519 | P | 45.9 | Very low | 37.2 | Very low | 99 Ų | 99 | 145.8 Ų | 145.8 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | trans | -135.8 | -172.4 | -133 | 45.2 | -28.6 | 0 | 0 | 0 | 115.9 | ||||
| 520 | K | 35.2 | Very low | 37.2 | Very low | 202 Ų | 202 | 143.1 Ų | 143.1 | 88% | 0.878 | 77% | 0.769 | S | S | * | * | trans | 71.9 | 153 | 165 | -69.5 | 171.7 | -177.6 | 176.1 | 0 | 114.2 | ||||
| 521 | A | 32 | Very low | 37.2 | Very low | 72 Ų | 72 | 142.4 Ų | 142.4 | 60% | 0.595 | 77% | 0.765 | S | S | * | * | cis | -163.1 | -166.3 | -10.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 522 | Y | 34.5 | Very low | 37.4 | Very low | 204 Ų | 204 | 140.4 Ų | 140.4 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | trans | 109.1 | 128.6 | 152.4 | -63.1 | -74.6 | 0 | 0 | 0 | 119.9 | ||||
| 523 | N | 36.7 | Very low | 37.8 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | 61.6 | 110.6 | 148.9 | -51.9 | -14.8 | 0 | 0 | 0 | 118.3 | ||||
| 524 | V | 35.5 | Very low | 38.1 | Very low | 132 Ų | 132 | 134 Ų | 134 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | cis | 85.6 | 150.6 | 30.8 | -167.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 525 | I | 41.1 | Very low | 38 | Very low | 153 Ų | 153 | 133.7 Ų | 133.7 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | 93.2 | 134.9 | 170.6 | -57.3 | -175.4 | 0 | 0 | 0 | 115.3 | ||||
| 526 | P | 48 | Very low | 38 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 62% | 0.623 | 75% | 0.746 | S | S | * | * | cis | -145.6 | -176.8 | -17.7 | 42.2 | -23.5 | 0 | 0 | 0 | 118.8 | ||||
| 527 | N | 40.1 | Very low | 38.2 | Very low | 163 Ų | 163 | 132 Ų | 132 | 87% | 0.872 | 75% | 0.747 | S | S | * | * | trans | 78.3 | 137.7 | 148.6 | -66.2 | -26.4 | 0 | 0 | 0 | 121.7 | ||||
| 528 | G | 39.4 | Very low | 38.4 | Very low | 65 Ų | 65 | 130.1 Ų | 130.1 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | cis | 166.9 | 160.9 | -11.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 529 | K | 38.2 | Very low | 38.4 | Very low | 205 Ų | 205 | 136 Ų | 136 | 89% | 0.891 | 75% | 0.751 | S | S | * | * | trans | 78.4 | 129.6 | -179.7 | -56.6 | 171.9 | -177.2 | 172.5 | 0 | 115 | ||||
| 530 | K | 40.1 | Very low | 37.9 | Very low | 184 Ų | 184 | 138.5 Ų | 138.5 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | cis | -149.9 | 134.4 | 2.2 | -118.5 | -176.2 | 179.5 | -174.1 | 0 | 111.4 | ||||
| 531 | S | 40.7 | Very low | 37.7 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | trans | 29.2 | 142.5 | 132.2 | 62.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 532 | S | 42.7 | Very low | 37.8 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | cis | -179.4 | 167.4 | 22.1 | 18.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 533 | S | 44.8 | Very low | 37.8 | Very low | 95 Ų | 95 | 132.7 Ų | 132.7 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | cis | 177.3 | 129.5 | -25.3 | 56.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 534 | L | 39 | Very low | 37.7 | Very low | 153 Ų | 153 | 130.6 Ų | 130.6 | 80% | 0.801 | 75% | 0.753 | S | S | * | * | trans | 65.8 | 158.1 | 149.3 | -52 | 164.4 | 0 | 0 | 0 | 118.4 | ||||
| 535 | N | 33.6 | Very low | 37.8 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 65% | 0.652 | 75% | 0.752 | S | S | * | * | cis | -160.7 | 130.8 | -20.5 | -112.1 | 9.5 | 0 | 0 | 0 | 108.6 | ||||
| 536 | T | 33.7 | Very low | 37.4 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 66% | 0.663 | 75% | 0.75 | S | S | * | * | 51.5 | 134 | 99.6 | 72.5 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 537 | S | 35.6 | Very low | 36.7 | Very low | 124 Ų | 124 | 134 Ų | 134 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | trans | 74.3 | 145.8 | 171.2 | -52.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 538 | S | 38.2 | Very low | 36.3 | Very low | 107 Ų | 107 | 130 Ų | 130 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | cis | -148.4 | 138.8 | 7 | 44.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 539 | R | 32.2 | Very low | 36.1 | Very low | 233 Ų | 233 | 136.4 Ų | 136.4 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | 67.4 | 126.7 | 92.2 | -132.1 | -167.5 | -159.2 | -172.6 | 6.3 | 114.9 | |||||
| 540 | L | 34.1 | Very low | 36.2 | Very low | 152 Ų | 152 | 132.3 Ų | 132.3 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | 92.3 | 135.9 | 168.9 | -77.9 | 87.7 | 0 | 0 | 0 | 121.6 | ||||
| 541 | S | 32.1 | Very low | 35.8 | Very low | 99 Ų | 99 | 130.3 Ų | 130.3 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | trans | 67.9 | 100.3 | 140.4 | 62.4 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 542 | S | 33.7 | Very low | 35.6 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | 74.8 | 143.1 | 119.7 | 65.7 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 543 | N | 34.8 | Very low | 35.1 | Very low | 153 Ų | 153 | 137 Ų | 137 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 69.6 | 120.1 | 167 | -69.8 | -5.4 | 0 | 0 | 0 | 116.2 | ||||
| 544 | S | 34.9 | Very low | 34.8 | Very low | 93 Ų | 93 | 143.9 Ų | 143.9 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | 84.5 | 123 | 62.8 | -169 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 545 | Q | 37 | Very low | 34.4 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | cis | -158.2 | 157.4 | 15.8 | -135.5 | 167.1 | 33.7 | 0 | 0 | 113.1 | ||||
| 546 | N | 33.3 | Very low | 34.4 | Very low | 139 Ų | 139 | 142.8 Ų | 142.8 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | trans | 74.3 | 147.2 | 150.6 | -93.1 | -20.7 | 0 | 0 | 0 | 123.9 | ||||
| 547 | T | 33.4 | Very low | 34.5 | Very low | 145 Ų | 145 | 145.9 Ų | 145.9 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | 64.6 | 128.3 | 167.2 | 65.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 548 | G | 31.2 | Very low | 34.2 | Very low | 80 Ų | 80 | 147.9 Ų | 147.9 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | 151.9 | 134.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 549 | K | 34.1 | Very low | 33.8 | Very low | 200 Ų | 200 | 149.9 Ų | 149.9 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | trans | -79.5 | 158.7 | 173.3 | -62.1 | 175.6 | 177.8 | 178 | 0 | 112.3 | ||||
| 550 | P | 41.1 | Very low | 33.7 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | -101.3 | 153.8 | 153.2 | 36.2 | -29.4 | 0 | 0 | 0 | 113.1 | ||||
| 551 | N | 32.4 | Very low | 33.5 | Very low | 142 Ų | 142 | 147.6 Ų | 147.6 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | trans | -110.4 | 168.7 | 170.8 | -74.1 | -23.7 | 0 | 0 | 0 | 110.4 | ||||
| 552 | Y | 34.6 | Very low | 33.2 | Very low | 238 Ų | 238 | 150 Ų | 150 | 93% | 0.933 | 81% | 0.806 | S | S | * | * | trans | -130.9 | 131 | 151.4 | -85.9 | -77 | 0 | 0 | 0 | 110.7 | ||||
| 553 | S | 33 | Very low | 33.1 | Very low | 105 Ų | 105 | 150 Ų | 150 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -154.9 | 158.9 | 166.6 | 59.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 554 | Y | 37.8 | Very low | 32.9 | Very low | 240 Ų | 240 | 146.5 Ų | 146.5 | 94% | 0.941 | 79% | 0.794 | S | S | * | * | trans | -137.3 | 156.5 | 171.2 | -119.7 | -95.2 | 0 | 0 | 0 | 109.3 | ||||
| 555 | M | 32.3 | Very low | 32.6 | Very low | 188 Ų | 188 | 148.9 Ų | 148.9 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | trans | -139.4 | 152.4 | -151.1 | -162.4 | -159.5 | -56.7 | 0 | 0 | 113.4 | ||||
| 556 | G | 33.5 | Very low | 32.4 | Very low | 64 Ų | 64 | 147.7 Ų | 147.7 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | trans | 138.8 | 140.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 557 | I | 35 | Very low | 32.1 | Very low | 172 Ų | 172 | 148.9 Ų | 148.9 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | cis | -140.8 | 148.4 | 3.6 | -65.9 | 174.6 | 0 | 0 | 0 | 108.4 | ||||
| 558 | Q | 28.9 | Very low | 32 | Very low | 167 Ų | 167 | 149.9 Ų | 149.9 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | trans | -96.4 | 149.8 | 173.8 | -67.4 | 177.1 | -64.1 | 0 | 0 | 112.8 | ||||
| 559 | T | 31.1 | Very low | 31.9 | Very low | 148 Ų | 148 | 152.4 Ų | 152.4 | 91% | 0.908 | 79% | 0.788 | S | S | * | * | trans | -134.4 | 143.1 | 140.6 | 49.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 560 | T | 28.4 | Very low | 31.6 | Very low | 99 Ų | 99 | 151.5 Ų | 151.5 | 61% | 0.607 | 79% | 0.788 | S | S | * | * | trans | -133.8 | 140.6 | -173.5 | 51.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 561 | Y | 29.9 | Very low | 31 | Very low | 238 Ų | 238 | 150.5 Ų | 150.5 | 93% | 0.933 | 79% | 0.789 | S | S | * | * | trans | -144.5 | 130.8 | 154.7 | -107.5 | -82.4 | 0 | 0 | 0 | 109.8 | ||||
| 562 | N | 26.9 | Very low | 31 | Very low | 149 Ų | 149 | 148.9 Ų | 148.9 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -93.1 | 154.4 | 174.6 | -63.5 | -14.3 | 0 | 0 | 0 | 109.7 | ||||
| 563 | S | 31.2 | Very low | 30.6 | Very low | 106 Ų | 106 | 145.2 Ų | 145.2 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | -173.3 | 126.6 | 105.4 | -145.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 564 | S | 29.8 | Very low | 30.4 | Very low | 79 Ų | 79 | 143.8 Ų | 143.8 | 55% | 0.552 | 79% | 0.787 | S | S | * | * | trans | 34.1 | 112.4 | 136.9 | 62.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 565 | D | 29.8 | Very low | 30 | Very low | 142 Ų | 142 | 142 Ų | 142 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | 79.8 | 147 | 112.6 | -51.7 | -29 | 0 | 0 | 0 | 125.1 | |||||
| 566 | N | 31.8 | Very low | 29.7 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | trans | 84 | 101.8 | 153.3 | -63.1 | -34.4 | 0 | 0 | 0 | 121.9 | ||||
| 567 | Q | 27.6 | Very low | 29.7 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | 23.3 | 130.5 | 127 | -56.2 | -177.6 | -0.2 | 0 | 0 | 118.1 | |||||
| 568 | H | 32.4 | Very low | 29.3 | Very low | 165 Ų | 165 | 143.9 Ų | 143.9 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | -159.3 | -163.9 | 75.3 | -128.7 | 12.1 | 0 | 0 | 0 | 114.7 | |||||
| 569 | N | 27.5 | Very low | 29.5 | Very low | 133 Ų | 133 | 143.7 Ų | 143.7 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | -102.6 | 164.6 | -156.6 | -75.7 | -32.9 | 0 | 0 | 0 | 117.7 | ||||
| 570 | Q | 28.7 | Very low | 29.5 | Very low | 182 Ų | 182 | 143.9 Ų | 143.9 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | 79.5 | 124.2 | 146.3 | -84 | 168 | -10.3 | 0 | 0 | 122.3 | ||||
| 571 | A | 28.9 | Very low | 29.6 | Very low | 96 Ų | 96 | 149.4 Ų | 149.4 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | trans | 52 | 132 | 141 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 572 | S | 32.2 | Very low | 30 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | cis | -171.6 | 161.7 | 46.3 | 44.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 573 | N | 26.9 | Very low | 29.9 | Very low | 162 Ų | 162 | 143.6 Ų | 143.6 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | 19 | 113.4 | 157.3 | -60.4 | -2.6 | 0 | 0 | 0 | 121.7 | ||||
| 574 | G | 27.5 | Very low | 29.8 | Very low | 74 Ų | 74 | 146.4 Ų | 146.4 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | 94.1 | 125.4 | 110.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 575 | Q | 30.4 | Very low | 29.6 | Very low | 204 Ų | 204 | 151.4 Ų | 151.4 | 95% | 0.953 | 80% | 0.797 | S | S | * | * | -169.1 | 157.5 | 112.4 | -103.7 | 173.3 | -17.6 | 0 | 0 | 111.8 | |||||
| 576 | E | 26.1 | Very low | 29.7 | Very low | 171 Ų | 171 | 151.5 Ų | 151.5 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | -78.7 | 162.3 | -179.9 | -58 | 170.8 | 102 | 0 | 0 | 112.5 | ||||
| 577 | L | 31.9 | Very low | 29.5 | Very low | 178 Ų | 178 | 152.1 Ų | 152.1 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | trans | -147.4 | 133.7 | 146.6 | -116.3 | 165.1 | 0 | 0 | 0 | 111.1 | ||||
| 578 | I | 28.5 | Very low | 29.9 | Very low | 113 Ų | 113 | 149.5 Ų | 149.5 | 58% | 0.579 | 80% | 0.803 | S | S | * | * | trans | -94.6 | 151.4 | -163.8 | -63 | 156.9 | 0 | 0 | 0 | 110.9 | ||||
| 579 | N | 32 | Very low | 29.7 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -148.3 | 141.4 | 143.5 | -100.4 | -48.1 | 0 | 0 | 0 | 112.3 | ||||
| 580 | H | 30.8 | Very low | 29.7 | Very low | 151 Ų | 151 | 147.8 Ų | 147.8 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | trans | -113.3 | 163.8 | -178.8 | -101.8 | 41.7 | 0 | 0 | 0 | 110.5 | ||||
| 581 | Y | 32 | Very low | 29.7 | Very low | 216 Ų | 216 | 147.3 Ų | 147.3 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | 172.9 | 163.3 | 125.4 | -95.5 | -57.2 | 0 | 0 | 0 | 112 | |||||
| 582 | P | 36.6 | Very low | 29.6 | Very low | 110 Ų | 110 | 148.9 Ų | 148.9 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | -129.3 | -176 | -112.7 | 46.8 | -33.4 | 0 | 0 | 0 | 117.1 | |||||
| 583 | N | 25.3 | Very low | 29.4 | Very low | 155 Ų | 155 | 152.6 Ų | 152.6 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | trans | -74.8 | 160.4 | 171.6 | -74.1 | -53.3 | 0 | 0 | 0 | 114.7 | ||||
| 584 | I | 30.2 | Very low | 29.3 | Very low | 165 Ų | 165 | 149.8 Ų | 149.8 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -135.9 | 142.5 | 157.7 | -63.9 | -177.4 | 0 | 0 | 0 | 109.1 | ||||
| 585 | Q | 25.5 | Very low | 29.4 | Very low | 184 Ų | 184 | 152.8 Ų | 152.8 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -111.7 | 150.8 | 179.7 | -53.3 | 170.3 | -78.9 | 0 | 0 | 112.1 | ||||
| 586 | V | 31.1 | Very low | 29.2 | Very low | 144 Ų | 144 | 150 Ų | 150 | 87% | 0.873 | 79% | 0.791 | S | S | * | * | trans | -146.2 | 149.8 | 150.7 | -170.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 587 | N | 27 | Very low | 29.3 | Very low | 156 Ų | 156 | 151.6 Ų | 151.6 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | -108.8 | 167.3 | -175.3 | -124.4 | 9.8 | 0 | 0 | 0 | 112.8 | ||||
| 588 | P | 35.7 | Very low | 29.1 | Very low | 109 Ų | 109 | 147.5 Ų | 147.5 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | trans | -99.1 | 172.5 | -162.5 | 39.2 | -38.6 | 0 | 0 | 0 | 116 | ||||
| 589 | S | 29.1 | Very low | 29.3 | Very low | 109 Ų | 109 | 150.2 Ų | 150.2 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -160.9 | 132.8 | 165.1 | -25.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 590 | L | 28.5 | Very low | 29.2 | Very low | 152 Ų | 152 | 149 Ų | 149 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | trans | 73.2 | 127.2 | 140.7 | -85.6 | 75.4 | 0 | 0 | 0 | 125 | ||||
| 591 | F | 28.8 | Very low | 29.2 | Very low | 172 Ų | 172 | 147.9 Ų | 147.9 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | 92.7 | 106.3 | 137.3 | -88.9 | -121.6 | 0 | 0 | 0 | 124.7 | ||||
| 592 | N | 26.1 | Very low | 29.3 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | 20.9 | 145.3 | 117.1 | -60.4 | -9.2 | 0 | 0 | 0 | 119 | |||||
| 593 | Q | 27.6 | Very low | 29.1 | Very low | 185 Ų | 185 | 146 Ų | 146 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | cis | -169.9 | -165.3 | 43.1 | -146 | 164.7 | 3.8 | 0 | 0 | 112.1 | ||||
| 594 | S | 25.4 | Very low | 29.3 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | trans | -123.6 | 162.2 | -164 | 55.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 595 | V | 29.5 | Very low | 29.5 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | -144.3 | 141.7 | 164.7 | -174.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 596 | N | 26 | Very low | 29.9 | Very low | 146 Ų | 146 | 139.2 Ų | 139.2 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | -100 | 167.1 | 177.2 | -72.1 | -30.7 | 0 | 0 | 0 | 112.7 | ||||
| 597 | F | 28.3 | Very low | 30.2 | Very low | 203 Ų | 203 | 137.6 Ų | 137.6 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | trans | -138.6 | 158.9 | 148.7 | -107.2 | -81.8 | 0 | 0 | 0 | 112 | ||||
| 598 | S | 27.8 | Very low | 30.3 | Very low | 93 Ų | 93 | 141.2 Ų | 141.2 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | trans | -154.7 | 160.7 | -160 | 60.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 599 | Q | 32 | Very low | 30.2 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | 153.8 | 165.8 | 157 | -88 | 156.8 | 44.8 | 0 | 0 | 110.9 | ||||
| 600 | N | 31.2 | Very low | 30.1 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | cis | -179.2 | 154.7 | -43.9 | -91.9 | -1 | 0 | 0 | 0 | 106.9 | ||||
| 601 | T | 30.3 | Very low | 30.3 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | cis | -162 | 161.8 | -9.3 | 16.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 602 | P | 34.4 | Very low | 30.1 | Very low | 118 Ų | 118 | 144.2 Ų | 144.2 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | trans | -115 | 166.6 | -163.9 | 42 | -34.5 | 0 | 0 | 0 | 118.1 | ||||
| 603 | I | 31.5 | Very low | 30.6 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | trans | -158.9 | 155.4 | 171.7 | -48.2 | 179.5 | 0 | 0 | 0 | 108.6 | ||||
| 604 | S | 29.9 | Very low | 30.9 | Very low | 96 Ų | 96 | 140.5 Ų | 140.5 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | cis | -171.3 | 148.9 | -42.7 | -177.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 605 | S | 33.4 | Very low | 31.2 | Very low | 99 Ų | 99 | 142.6 Ų | 142.6 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | trans | 52.6 | 114.5 | 148.4 | 55.8 | 0 | 0 | 0 | 0 | 125 | ||||
| 606 | D | 34.8 | Very low | 31.4 | Very low | 165 Ų | 165 | 143.2 Ų | 143.2 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | trans | 80.6 | 149.8 | 131.1 | -80.2 | -4.9 | 0 | 0 | 0 | 126.7 | ||||
| 607 | P | 36.4 | Very low | 31.8 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | trans | -130.3 | 160.5 | -166.5 | 42.5 | -25.5 | 0 | 0 | 0 | 117.5 | ||||
| 608 | R | 30.4 | Very low | 32.1 | Very low | 232 Ų | 232 | 136.6 Ų | 136.6 | 88% | 0.875 | 76% | 0.764 | S | S | * | * | trans | -171 | 159.4 | 154.3 | -123.9 | 177.7 | 168.7 | 97 | -0.8 | 115.3 | ||||
| 609 | L | 32.1 | Very low | 32.1 | Very low | 151 Ų | 151 | 143.5 Ų | 143.5 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | 64 | 161 | 174 | -81.4 | 81.6 | 0 | 0 | 0 | 115.5 | ||||
| 610 | L | 27.7 | Very low | 32.2 | Very low | 152 Ų | 152 | 142 Ų | 142 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | cis | 156 | 136.3 | -26.2 | -110.6 | 178.6 | 0 | 0 | 0 | 105.2 | ||||
| 611 | L | 32.4 | Very low | 32 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | 146.7 | 127.5 | 169.2 | -85.7 | 157.3 | 0 | 0 | 0 | 107 | ||||
| 612 | N | 26.3 | Very low | 32.2 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | cis | 90.7 | 92.6 | 16.6 | -162.7 | 81.3 | 0 | 0 | 0 | 117 | ||||
| 613 | I | 35.1 | Very low | 32 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -152 | 110.9 | 167.5 | -46.5 | -178.4 | 0 | 0 | 0 | 104 | ||||
| 614 | S | 33.3 | Very low | 31.9 | Very low | 85 Ų | 85 | 143.1 Ų | 143.1 | 59% | 0.594 | 79% | 0.788 | S | S | * | * | 63.5 | 138.3 | 63.7 | 73.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 615 | D | 33.2 | Very low | 31.8 | Very low | 147 Ų | 147 | 143.2 Ų | 143.2 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | cis | -161.8 | -166.7 | -8 | -123.8 | -52.8 | 0 | 0 | 0 | 110.1 | ||||
| 616 | D | 34 | Very low | 31.8 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | 69.4 | 155.5 | 170.9 | -76 | -33.1 | 0 | 0 | 0 | 117.7 | ||||
| 617 | S | 34 | Very low | 31.5 | Very low | 101 Ų | 101 | 140.5 Ų | 140.5 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | cis | -170.3 | 161.2 | -18.9 | 54.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 618 | S | 34 | Very low | 31.2 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | cis | -159.3 | 115.9 | -24.3 | 55 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 619 | R | 28.6 | Very low | 31.2 | Very low | 239 Ų | 239 | 137.1 Ų | 137.1 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | 21.7 | 113.1 | 148.3 | -174.3 | -158.3 | -141.2 | 163.9 | 7 | 120.5 | ||||
| 620 | V | 33.6 | Very low | 31.2 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | -144.4 | 140.2 | 139.5 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 621 | N | 27.3 | Very low | 31.4 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -116.8 | 137.5 | 172 | -80.2 | -42.9 | 0 | 0 | 0 | 110.5 | ||||
| 622 | S | 34.5 | Very low | 31.4 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -158.9 | 143.2 | 149.3 | 49.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 623 | K | 28.9 | Very low | 31.7 | Very low | 205 Ų | 205 | 134 Ų | 134 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | trans | -88.5 | 165.7 | -179.3 | -72.1 | 174 | 171.2 | 175.7 | 0 | 111.7 | ||||
| 624 | A | 30.8 | Very low | 31.5 | Very low | 95 Ų | 95 | 132.5 Ų | 132.5 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | 72.5 | 155.1 | 148.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 625 | S | 28 | Very low | 31.5 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | cis | -179.4 | 158.4 | -26.8 | 55.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 626 | S | 32 | Very low | 31.7 | Very low | 131 Ų | 131 | 133.7 Ų | 133.7 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | trans | 67.6 | 170.9 | 172.6 | 82.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 627 | G | 29 | Very low | 31.6 | Very low | 76 Ų | 76 | 132.2 Ų | 132.2 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | 115.2 | 63.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 628 | S | 30.3 | Very low | 31.8 | Very low | 101 Ų | 101 | 132.2 Ų | 132.2 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -68.7 | 170.3 | 177.3 | 43.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 629 | F | 30.6 | Very low | 31.8 | Very low | 169 Ų | 169 | 135 Ų | 135 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | 105.2 | 109.7 | 158.3 | -73.5 | -84 | 0 | 0 | 0 | 121.4 | ||||
| 630 | M | 31.5 | Very low | 32.2 | Very low | 151 Ų | 151 | 128.6 Ų | 128.6 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | trans | 54.2 | 120.6 | 136.8 | -70.4 | 178.3 | 177.7 | 0 | 0 | 122.4 | ||||
| 631 | N | 32.9 | Very low | 32.4 | Very low | 166 Ų | 166 | 126.6 Ų | 126.6 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | -175.8 | 150.8 | 96.4 | -94.2 | -43.4 | 0 | 0 | 0 | 113.4 | |||||
| 632 | G | 32.4 | Very low | 32.6 | Very low | 65 Ų | 65 | 128 Ų | 128 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | trans | 101.6 | 92.5 | 153.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 633 | N | 32.6 | Very low | 32.4 | Very low | 159 Ų | 159 | 127.9 Ų | 127.9 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | 25.3 | 138.6 | 126.5 | -53.1 | -3.8 | 0 | 0 | 0 | 120.1 | |||||
| 634 | C | 30.3 | Very low | 32.7 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | cis | -160.6 | 174.7 | 6.7 | -112.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 635 | L | 33.7 | Very low | 32.9 | Very low | 149 Ų | 149 | 128.5 Ų | 128.5 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | trans | -80.3 | -172.8 | -174.2 | -75.6 | 129.6 | 0 | 0 | 0 | 115 | T637 | L635-T637 HydrophobicContact CD2-CG2 3.84Š| ||
| 636 | P | 36.6 | Very low | 33.1 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | cis | -128.1 | 151.6 | 2.1 | 12.3 | 15.4 | 0 | 0 | 0 | 116.5 | ||||
| 637 | T | 33.1 | Very low | 33.1 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | 53.6 | 144.2 | 87.1 | 79 | 0 | 0 | 0 | 0 | 117.3 | L635 | L635-T637 HydrophobicContact CD2-CG2 3.84Š| |||
| 638 | S | 36.9 | Very low | 33.5 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | cis | -140.4 | -177.5 | 10.1 | 59.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 639 | H | 34.9 | Very low | 33.9 | Very low | 165 Ų | 165 | 132 Ų | 132 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | cis | 67.2 | 165.4 | 23.9 | -116.1 | 5.6 | 0 | 0 | 0 | 115.1 | ||||
| 640 | P | 36.8 | Very low | 34.2 | Very low | 106 Ų | 106 | 131 Ų | 131 | 69% | 0.688 | 77% | 0.773 | S | S | * | * | cis | -90.6 | -138 | 4 | 42.6 | -39 | 0 | 0 | 0 | 111.7 | ||||
| 641 | S | 37.2 | Very low | 34.2 | Very low | 95 Ų | 95 | 129 Ų | 129 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | cis | -160.2 | 119 | -9.9 | 42.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 642 | H | 32.4 | Very low | 34.5 | Very low | 184 Ų | 184 | 129 Ų | 129 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | trans | -172.6 | 79.6 | 136.4 | -117.9 | -66 | 0 | 0 | 0 | 110.5 | ||||
| 643 | C | 28.8 | Very low | 34.6 | Very low | 120 Ų | 120 | 132 Ų | 132 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | trans | -130 | 139.6 | 167.4 | -65.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 644 | I | 35.5 | Very low | 34.6 | Very low | 164 Ų | 164 | 132.1 Ų | 132.1 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | trans | -115.3 | 117.1 | 171.4 | -61.6 | 177.1 | 0 | 0 | 0 | 107.1 | ||||
| 645 | L | 34.9 | Very low | 35 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -117.2 | 152 | 172.6 | -85.8 | 159.1 | 0 | 0 | 0 | 108.4 | ||||
| 646 | P | 32.2 | Very low | 34.9 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 147.8 | -173.1 | 31.6 | -35.4 | 0 | 0 | 0 | 112.7 | ||
| 647 | C | 33.7 | Very low | 34.8 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 140.1 | 175.9 | -65.8 | 0 | 0 | 0 | 0 | 112.2 | ||
| 648 | P | 37.3 | Very low | 34.7 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 167.4 | 177 | 35.8 | -36.2 | 0 | 0 | 0 | 113.4 | ||
| 649 | P | 37.6 | Very low | 34.6 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 159.2 | -177.1 | 36.6 | -36.5 | 0 | 0 | 0 | 114.6 | ||
| 650 | N | 36.7 | Very low | 34.5 | Very low | 149 Ų | 149 | 130.4 Ų | 130.4 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | trans | -161 | 108.8 | 159.3 | -92.9 | -28.8 | 0 | 0 | 0 | 108.1 | ||||
| 651 | T | 32 | Very low | 34.2 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | 67.1 | 116.8 | 89.2 | 61.5 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 652 | H | 38.8 | Very low | 33.8 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | -171.4 | 131 | 126.2 | -102.2 | -62.2 | 0 | 0 | 0 | 112.2 | |||||
| 653 | N | 34.5 | Very low | 33.7 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 68% | 0.679 | 75% | 0.747 | S | S | * | * | trans | 53 | 134.9 | 150.8 | -55.2 | 7.6 | 0 | 0 | 0 | 118.4 | ||||
| 654 | M | 33.6 | Very low | 33.7 | Very low | 162 Ų | 162 | 134 Ų | 134 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | cis | -165.4 | 169.5 | 7.3 | -99.7 | 159.9 | -179 | 0 | 0 | 106.2 | ||||
| 655 | T | 37.2 | Very low | 33.4 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | cis | -151.5 | 173 | 3.1 | 3.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 656 | P | 33.4 | Very low | 33.2 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | trans | -108.1 | 174.5 | -160.7 | 41.1 | -37.6 | 0 | 0 | 0 | 117.9 | ||||
| 657 | S | 33.8 | Very low | 33.1 | Very low | 106 Ų | 106 | 134.7 Ų | 134.7 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | trans | 79.2 | 146.8 | 160.7 | 84 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 658 | N | 29.8 | Very low | 33 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | cis | -164.3 | 171.3 | -15.2 | -120.9 | 14 | 0 | 0 | 0 | 111.4 | ||||
| 659 | H | 35.1 | Very low | 32.6 | Very low | 167 Ų | 167 | 137.2 Ų | 137.2 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | trans | 84.1 | 171.5 | 162.4 | -85.6 | -63.9 | 0 | 0 | 0 | 120.5 | ||||
| 660 | S | 32.6 | Very low | 32.3 | Very low | 78 Ų | 78 | 137.1 Ų | 137.1 | 55% | 0.545 | 72% | 0.724 | S | S | . | * | -152.1 | 175.6 | -127.6 | 51.4 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 661 | D | 31.5 | Very low | 31.9 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | trans | 87.1 | 122.3 | 150.6 | -62.7 | -52.7 | 0 | 0 | 0 | 122.4 | ||||
| 662 | I | 29.2 | Very low | 31.7 | Very low | 134 Ų | 134 | 141.1 Ų | 141.1 | 69% | 0.687 | 73% | 0.728 | S | S | * | * | 82.8 | 97.8 | 128.2 | -65.8 | 172.7 | 0 | 0 | 0 | 120.8 | |||||
| 663 | Q | 29 | Very low | 31.7 | Very low | 151 Ų | 151 | 138 Ų | 138 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | 77 | 146.6 | 123.9 | -69.7 | -163.8 | 18.4 | 0 | 0 | 125.9 | |||||
| 664 | Q | 28.8 | Very low | 31.5 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | trans | 75.3 | 85.7 | 142 | -77.4 | -179.5 | 27.5 | 0 | 0 | 122.6 | ||||
| 665 | A | 30.8 | Very low | 31.4 | Very low | 95 Ų | 95 | 136.9 Ų | 136.9 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | 36.9 | 126.3 | 109.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 666 | R | 30.2 | Very low | 31 | Very low | 228 Ų | 228 | 138.5 Ų | 138.5 | 86% | 0.86 | 71% | 0.714 | S | S | * | * | trans | -161.7 | 132.5 | 133.9 | -107.6 | 178.6 | 167.3 | 149.8 | -1.1 | 109.2 | ||||
| 667 | N | 30.2 | Very low | 30.8 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 66% | 0.663 | 72% | 0.719 | S | S | * | * | 61.3 | 140.1 | 92.2 | -64.5 | 45.9 | 0 | 0 | 0 | 114 | |||||
| 668 | N | 30.5 | Very low | 30.6 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 62% | 0.615 | 72% | 0.717 | S | S | * | * | cis | -168.4 | 153.1 | 0.6 | -112.4 | 13.8 | 0 | 0 | 0 | 109.8 | ||||
| 669 | F | 30.6 | Very low | 30.6 | Very low | 180 Ų | 180 | 139.4 Ų | 139.4 | 79% | 0.789 | 71% | 0.707 | S | S | * | * | trans | 52.9 | 151.2 | 144.1 | -72.5 | -120.1 | 0 | 0 | 0 | 118.7 | ||||
| 670 | D | 29.8 | Very low | 30.3 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 62% | 0.615 | 71% | 0.713 | S | S | * | * | cis | -158.4 | -171.2 | 14.7 | -143 | -0.6 | 0 | 0 | 0 | 107.9 | ||||
| 671 | Q | 28.9 | Very low | 30.3 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 72% | 0.724 | 72% | 0.724 | S | S | * | * | cis | -153.4 | -148.3 | 2.5 | -154.5 | 167 | 89.7 | 0 | 0 | 110.4 | ||||
| 672 | F | 28 | Very low | 30.3 | Very low | 189 Ų | 189 | 142.7 Ų | 142.7 | 83% | 0.829 | 74% | 0.735 | S | S | * | * | trans | -147.1 | -173.6 | -164.8 | -96.9 | -112.4 | 0 | 0 | 0 | 109.5 | ||||
| 673 | P | 37.6 | Very low | 30.2 | Very low | 99 Ų | 99 | 143.9 Ų | 143.9 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | -146.9 | -169.2 | -54.3 | 44.6 | -26.8 | 0 | 0 | 0 | 116.8 | |||||
| 674 | A | 31.1 | Very low | 30.3 | Very low | 76 Ų | 76 | 144.9 Ų | 144.9 | 63% | 0.628 | 75% | 0.752 | S | S | * | * | trans | 76.8 | 161.6 | 148.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 675 | Y | 31.1 | Very low | 30.3 | Very low | 190 Ų | 190 | 144 Ų | 144 | 75% | 0.745 | 75% | 0.753 | S | S | * | * | cis | -158.9 | 166.1 | 31.8 | -91.5 | -80.1 | 0 | 0 | 0 | 116.1 | ||||
| 676 | F | 30.2 | Very low | 30.4 | Very low | 161 Ų | 161 | 145 Ų | 145 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | 66.2 | 123.3 | 149.8 | -69.8 | -46.8 | 0 | 0 | 0 | 122 | ||||
| 677 | M | 28.1 | Very low | 30.3 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | 80 | 145.6 | 83 | -98.5 | -176.7 | -168.4 | 0 | 0 | 115.5 | |||||
| 678 | N | 28.8 | Very low | 30.1 | Very low | 134 Ų | 134 | 143.4 Ų | 143.4 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | cis | -162.8 | 162.3 | 3.2 | -165.2 | 15.9 | 0 | 0 | 0 | 114.5 | ||||
| 679 | S | 31.4 | Very low | 30.1 | Very low | 78 Ų | 78 | 148.1 Ų | 148.1 | 55% | 0.545 | 77% | 0.767 | S | S | . | * | trans | 64.4 | 125.7 | 143 | 60.9 | 0 | 0 | 0 | 0 | 127.3 | ||||
| 680 | N | 29.1 | Very low | 29.9 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | trans | 78.6 | 137.8 | 132.3 | -62.4 | -7.4 | 0 | 0 | 0 | 124.2 | ||||
| 681 | G | 30.8 | Very low | 30 | Very low | 74 Ų | 74 | 149.8 Ų | 149.8 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | trans | -174.6 | 34.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 682 | Q | 32.1 | Very low | 30.1 | Very low | 202 Ų | 202 | 151.7 Ų | 151.7 | 94% | 0.944 | 78% | 0.784 | S | S | * | * | trans | 66.7 | 162.5 | 157.4 | -63.3 | -170.5 | -7.1 | 0 | 0 | 123.2 | ||||
| 683 | N | 26.4 | Very low | 30 | Very low | 160 Ų | 160 | 147.3 Ų | 147.3 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | trans | -91.7 | 163.8 | -167.9 | -59.9 | -64.4 | 0 | 0 | 0 | 115.6 | ||||
| 684 | L | 32.4 | Very low | 29.7 | Very low | 172 Ų | 172 | 150.8 Ų | 150.8 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | trans | -162.5 | 142.9 | 140.1 | -109.5 | 162.5 | 0 | 0 | 0 | 112.4 | ||||
| 685 | N | 28.1 | Very low | 29.3 | Very low | 144 Ų | 144 | 155.3 Ų | 155.3 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -166 | 137.4 | 175.8 | -178.7 | 8.4 | 0 | 0 | 0 | 110.4 | ||||
| 686 | P | 32.3 | Very low | 29.3 | Very low | 116 Ų | 116 | 152 Ų | 152 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -143.7 | 121.9 | 145.4 | 34.4 | -16.6 | 0 | 0 | 0 | 116.6 | ||||
| 687 | Q | 29.1 | Very low | 29.1 | Very low | 161 Ų | 161 | 149.7 Ų | 149.7 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | 33.2 | 145.9 | 133.3 | -78.3 | -164.4 | -9.6 | 0 | 0 | 125.5 | ||||
| 688 | M | 25.5 | Very low | 29.2 | Very low | 159 Ų | 159 | 152.3 Ų | 152.3 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | 74.5 | 111.6 | 144.5 | -77.7 | -172.2 | -175.4 | 0 | 0 | 121.3 | ||||
| 689 | F | 31.6 | Very low | 29.3 | Very low | 213 Ų | 213 | 154.2 Ų | 154.2 | 93% | 0.934 | 81% | 0.806 | S | S | * | * | -145.5 | 156.4 | 108.8 | -121.9 | -89.1 | 0 | 0 | 0 | 109.3 | |||||
| 690 | N | 25.6 | Very low | 29.2 | Very low | 146 Ų | 146 | 156.8 Ų | 156.8 | 78% | 0.781 | 82% | 0.82 | S | S | * | * | trans | -155.4 | 118 | -169.6 | -178.6 | 17.1 | 0 | 0 | 0 | 111.8 | ||||
| 691 | E | 32.5 | Very low | 29.3 | Very low | 185 Ų | 185 | 153.5 Ų | 153.5 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -127.3 | 130.3 | 172 | -73.8 | -151.1 | 113.3 | 0 | 0 | 114.7 | ||||
| 692 | K | 29.9 | Very low | 29.4 | Very low | 194 Ų | 194 | 155 Ų | 155 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | trans | -56.1 | 168.6 | 166 | -67.1 | 165.4 | -177 | 170.7 | 0 | 112.4 | ||||
| 693 | S | 25.9 | Very low | 29.1 | Very low | 97 Ų | 97 | 154.9 Ų | 154.9 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | cis | 177.1 | 139.8 | -22.8 | 58.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 694 | L | 30.9 | Very low | 29.4 | Very low | 172 Ų | 172 | 153.4 Ų | 153.4 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | trans | -178.2 | 108.2 | 151.2 | -105 | 153.4 | 0 | 0 | 0 | 111.1 | ||||
| 695 | Q | 24.2 | Very low | 29.2 | Very low | 171 Ų | 171 | 148.7 Ų | 148.7 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | -104.1 | 135.7 | 162.6 | -74.9 | 177.8 | -65.1 | 0 | 0 | 109.3 | ||||
| 696 | P | 31.3 | Very low | 29.3 | Very low | 121 Ų | 121 | 147.8 Ų | 147.8 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | trans | -90 | 94.5 | 161 | 32.9 | -28 | 0 | 0 | 0 | 109.9 | ||||
| 697 | T | 25.1 | Very low | 29.3 | Very low | 112 Ų | 112 | 149 Ų | 149 | 69% | 0.687 | 81% | 0.805 | S | S | * | * | trans | -71.5 | 128.7 | 168.1 | -55.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 698 | Y | 31.2 | Very low | 29.4 | Very low | 219 Ų | 219 | 146.5 Ų | 146.5 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | -132.7 | 128.6 | 166.2 | -98 | -88.1 | 0 | 0 | 0 | 110.8 | ||||
| 699 | Q | 29.7 | Very low | 29.6 | Very low | 175 Ų | 175 | 145.3 Ų | 145.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -90.1 | 151.5 | 178.3 | -64 | 174 | -80.1 | 0 | 0 | 110.6 | ||||
| 700 | P | 29.1 | Very low | 29.6 | Very low | 131 Ų | 131 | 144.6 Ų | 144.6 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -74.3 | 142.9 | 171.6 | 31.5 | -34.2 | 0 | 0 | 0 | 111.5 | ||||
| 701 | A | 31.5 | Very low | 29.7 | Very low | 99 Ų | 99 | 145 Ų | 145 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -129.7 | 150.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 702 | P | 32.6 | Very low | 29.5 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | trans | -125 | 149 | -149.8 | 39.2 | -24.7 | 0 | 0 | 0 | 116.7 | ||||
| 703 | F | 26.2 | Very low | 29.5 | Very low | 199 Ų | 199 | 139.9 Ų | 139.9 | 87% | 0.873 | 79% | 0.791 | S | S | * | * | trans | 62.5 | 170 | 164.3 | -66.1 | -62.4 | 0 | 0 | 0 | 116.9 | ||||
| 704 | P | 33.1 | Very low | 29.8 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | cis | -109.5 | -177.4 | -7.3 | 40.6 | -29.3 | 0 | 0 | 0 | 113.2 | ||||
| 705 | G | 27.4 | Very low | 30.1 | Very low | 73 Ų | 73 | 138.7 Ų | 138.7 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | -120.8 | 164.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 706 | S | 31.3 | Very low | 30.5 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -157.1 | 152.2 | 162 | 47.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 707 | I | 32.6 | Very low | 30.4 | Very low | 142 Ų | 142 | 135.1 Ų | 135.1 | 73% | 0.728 | 79% | 0.787 | S | S | * | * | trans | -105.3 | 161.5 | -178.4 | -24.7 | 178.8 | 0 | 0 | 0 | 108.8 | ||||
| 708 | P | 30.8 | Very low | 31 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | -142.1 | 151.3 | 100.6 | 37.5 | -24.9 | 0 | 0 | 0 | 114.9 | |||||
| 709 | N | 30 | Very low | 30.9 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -77.1 | 149 | 163.4 | -68.5 | -37.1 | 0 | 0 | 0 | 110.2 | ||||
| 710 | F | 31.7 | Very low | 30.9 | Very low | 197 Ų | 197 | 129.3 Ų | 129.3 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -121.3 | 128.3 | 153.9 | -91.6 | -87.1 | 0 | 0 | 0 | 109.6 | ||||
| 711 | M | 27.4 | Very low | 31 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 77% | 0.768 | 79% | 0.789 | S | S | * | * | trans | -101.5 | 170.3 | 172.4 | -61.9 | -173 | -180 | 0 | 0 | 110.3 | ||||
| 712 | L | 28.1 | Very low | 30.9 | Very low | 168 Ų | 168 | 128.5 Ų | 128.5 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | trans | 70.2 | 149.2 | 162.4 | -61.2 | 150.2 | 0 | 0 | 0 | 113.9 | ||||
| 713 | S | 30.5 | Very low | 30.7 | Very low | 103 Ų | 103 | 131.3 Ų | 131.3 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | cis | -144.2 | 147.9 | 20.1 | 52.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 714 | V | 30.7 | Very low | 30.9 | Very low | 138 Ų | 138 | 129.2 Ų | 129.2 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -91 | 120.6 | 161 | 174.3 | 0 | 0 | 0 | 0 | 108.2 | ||
| 715 | P | 38.5 | Very low | 30.6 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 146.9 | 168.8 | 30.8 | -32.7 | 0 | 0 | 0 | 110.5 | ||
| 716 | P | 32.6 | Very low | 30.8 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 153.7 | -172 | 30.9 | -36.3 | 0 | 0 | 0 | 113 | ||
| 717 | A | 29.1 | Very low | 30.8 | Very low | 94 Ų | 94 | 132 Ų | 132 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 137 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 718 | P | 36.4 | Very low | 30.8 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 133 | 156.9 | 31.7 | -30.6 | 0 | 0 | 0 | 109.3 | ||
| 719 | S | 30.4 | Very low | 30.9 | Very low | 100 Ų | 100 | 138.3 Ų | 138.3 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 166.1 | 171.1 | 49.9 | 0 | 0 | 0 | 0 | 111.5 | ||
| 720 | N | 29.4 | Very low | 31.1 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | 63.3 | 88.7 | 165 | -58.2 | -7.2 | 0 | 0 | 0 | 117.8 | ||||
| 721 | A | 31.2 | Very low | 31.3 | Very low | 106 Ų | 106 | 131.5 Ų | 131.5 | 88% | 0.876 | 77% | 0.767 | S | S | * | * | trans | -146.7 | 134 | 133.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 722 | S | 28.9 | Very low | 31.4 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | -92.8 | -177.4 | 170.3 | 49.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 723 | E | 29.1 | Very low | 31.7 | Very low | 167 Ų | 167 | 128.1 Ų | 128.1 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | 77.1 | 105.9 | 172.9 | -48.6 | -167.9 | 125.9 | 0 | 0 | 113.6 | ||||
| 724 | I | 30.1 | Very low | 31.6 | Very low | 155 Ų | 155 | 132.5 Ų | 132.5 | 80% | 0.795 | 78% | 0.775 | S | S | * | * | 90.6 | 114.5 | 69 | -74.5 | 162.8 | 0 | 0 | 0 | 112.3 | |||||
| 725 | S | 25.6 | Very low | 31.8 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | 49.2 | 122.2 | 151.7 | -159.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 726 | F | 31.6 | Very low | 31.7 | Very low | 188 Ų | 188 | 131.8 Ų | 131.8 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -168.5 | 109.6 | 132 | -122.7 | -114.1 | 0 | 0 | 0 | 106.4 | ||||
| 727 | D | 33 | Very low | 31.5 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 52% | 0.524 | 78% | 0.78 | S | S | . | * | 93.3 | 110.9 | 96 | -85 | 22 | 0 | 0 | 0 | 112.5 | |||||
| 728 | Q | 32.1 | Very low | 31.7 | Very low | 155 Ų | 155 | 134 Ų | 134 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | 81.5 | 99.6 | 76 | -79.7 | -161.3 | 45.1 | 0 | 0 | 114.9 | |||||
| 729 | Y | 33.4 | Very low | 31.2 | Very low | 227 Ų | 227 | 133.6 Ų | 133.6 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | trans | -149.7 | 99.6 | 137.8 | -88.3 | -73.7 | 0 | 0 | 0 | 106.7 | ||||
| 730 | S | 33.2 | Very low | 31.3 | Very low | 105 Ų | 105 | 134.2 Ų | 134.2 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | 79.6 | 130.6 | 89.9 | -60.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 731 | A | 35.3 | Very low | 31.2 | Very low | 84 Ų | 84 | 132.8 Ų | 132.8 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | cis | -150.1 | 147.2 | 0.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 732 | V | 30.3 | Very low | 31.2 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | 52.2 | 118.8 | 69.8 | -174.9 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 733 | S | 34.2 | Very low | 31.1 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | -142.6 | 150.4 | 52.5 | 55.8 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 734 | Q | 29 | Very low | 31.4 | Very low | 195 Ų | 195 | 134.4 Ų | 134.4 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | trans | -91.9 | 151.3 | 155.9 | -62.3 | 171.9 | -14.6 | 0 | 0 | 109.9 | ||||
| 735 | S | 34.8 | Very low | 31.3 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -155.1 | 152.2 | 153.6 | 57.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 736 | P | 35.4 | Very low | 31.7 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | trans | -115.5 | 160.6 | -160.4 | 13.2 | 11.1 | 0 | 0 | 0 | 115.4 | ||||
| 737 | V | 29.8 | Very low | 31.7 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | trans | 37.7 | 102.2 | 147 | -171.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 738 | S | 31.8 | Very low | 31.8 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -151.1 | 127.4 | 146.1 | 62.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 739 | S | 27 | Very low | 32 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -85.5 | 133.1 | 179.5 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 740 | S | 31.5 | Very low | 32 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -170.5 | 137.5 | 137.9 | 55.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 741 | T | 28 | Very low | 31.9 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -41 | 140.8 | 160.8 | 46.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 742 | L | 31.1 | Very low | 31.5 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 88% | 0.88 | 77% | 0.774 | S | S | * | * | -165 | 144.4 | 116.7 | -106 | 158.1 | 0 | 0 | 0 | 112.9 | |||||
| 743 | T | 27.3 | Very low | 31.5 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 58% | 0.577 | 77% | 0.77 | S | S | * | * | trans | -83.6 | 151.9 | -178.2 | 46.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 744 | N | 34 | Very low | 31.3 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | trans | -165.7 | 99.9 | 138.5 | -88.2 | -34.6 | 0 | 0 | 0 | 107.2 | ||||
| 745 | H | 29.9 | Very low | 31.3 | Very low | 150 Ų | 150 | 134.3 Ų | 134.3 | 69% | 0.694 | 76% | 0.759 | S | S | * | * | 71.9 | 149.7 | 71.5 | -87.6 | -74 | 0 | 0 | 0 | 116.3 | |||||
| 746 | Y | 33.3 | Very low | 31 | Very low | 199 Ų | 199 | 135.5 Ų | 135.5 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | trans | 79.3 | 124.5 | 176 | -56.7 | -76.7 | 0 | 0 | 0 | 117.5 | ||||
| 747 | T | 31.2 | Very low | 30.7 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | cis | -164.4 | 148.7 | -24.7 | -3.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 748 | A | 35.5 | Very low | 30.6 | Very low | 86 Ų | 86 | 137.4 Ų | 137.4 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | trans | -101.2 | 159.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 749 | P | 36.2 | Very low | 30.5 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | -148.7 | -173.6 | 97.3 | 42.7 | -25.7 | 0 | 0 | 0 | 112.8 | |||||
| 750 | F | 32.7 | Very low | 30.7 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | cis | -152 | 155.9 | 16.5 | -115.7 | -59.8 | 0 | 0 | 0 | 111.8 | ||||
| 751 | S | 31.4 | Very low | 30.3 | Very low | 83 Ų | 83 | 140 Ų | 140 | 58% | 0.58 | 75% | 0.749 | S | S | * | * | trans | 26.9 | 128.9 | 152.1 | 56.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 752 | E | 27.7 | Very low | 30.5 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | 57.6 | 129.8 | 75.6 | -59.8 | 178.2 | 131.9 | 0 | 0 | 113.1 | |||||
| 753 | F | 30.6 | Very low | 30.4 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 76% | 0.763 | 74% | 0.743 | S | S | * | * | -150 | 132.7 | 56.3 | -98.4 | -105.5 | 0 | 0 | 0 | 111.4 | |||||
| 754 | V | 28.3 | Very low | 30.4 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | 78.4 | 127 | 100.4 | 166.8 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 755 | H | 29 | Very low | 30.1 | Very low | 168 Ų | 168 | 150 Ų | 150 | 78% | 0.778 | 76% | 0.761 | S | S | * | * | trans | 27.3 | 136 | 161.5 | -73.4 | -78.3 | 0 | 0 | 0 | 120 | ||||
| 756 | N | 29.5 | Very low | 30.1 | Very low | 141 Ų | 141 | 151.2 Ų | 151.2 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | -157 | 167.8 | 55.8 | -155 | 13.2 | 0 | 0 | 0 | 115 | |||||
| 757 | E | 28.6 | Very low | 29.9 | Very low | 152 Ų | 152 | 149.1 Ų | 149.1 | 71% | 0.71 | 76% | 0.763 | S | S | * | * | trans | -76.5 | 140 | 175 | -57 | 173.1 | 125.4 | 0 | 0 | 112.1 | ||||
| 758 | N | 28.2 | Very low | 30 | Very low | 146 Ų | 146 | 153.7 Ų | 153.7 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | 165.1 | 164.3 | 120.8 | -93.5 | -72.8 | 0 | 0 | 0 | 113.3 | |||||
| 759 | S | 29.3 | Very low | 29.7 | Very low | 109 Ų | 109 | 155.9 Ų | 155.9 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | 79.6 | 125.8 | 160.4 | 69.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 760 | E | 31.4 | Very low | 29.8 | Very low | 171 Ų | 171 | 157 Ų | 157 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | trans | 61.9 | 120.5 | 151.7 | -62.3 | -163.7 | 174.3 | 0 | 0 | 122.9 | ||||
| 761 | C | 23.9 | Very low | 29.7 | Very low | 124 Ų | 124 | 154.1 Ų | 154.1 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -67.9 | 130.7 | 161.8 | -56.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 762 | K | 30.6 | Very low | 29.8 | Very low | 172 Ų | 172 | 159.8 Ų | 159.8 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -154.1 | 117.4 | 147.7 | -107.8 | 146.3 | -166.6 | 160.8 | 0 | 113 | ||||
| 763 | D | 29.4 | Very low | 30.2 | Very low | 149 Ų | 149 | 159.3 Ų | 159.3 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | 3.8 | 114 | 149.3 | -163.6 | 7.7 | 0 | 0 | 0 | 118.1 | ||||
| 764 | F | 28.6 | Very low | 30.1 | Very low | 202 Ų | 202 | 159.5 Ų | 159.5 | 89% | 0.886 | 78% | 0.783 | S | S | * | * | trans | -144.1 | 104.9 | 165 | -98.8 | -81.2 | 0 | 0 | 0 | 111.1 | ||||
| 765 | R | 26.8 | Very low | 30.4 | Very low | 228 Ų | 228 | 164.2 Ų | 164.2 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -135.5 | 50.6 | 175 | -157.3 | -168.5 | -178.5 | 177.4 | 2 | 114 | ||||
| 766 | H | 30.7 | Very low | 30.5 | Very low | 176 Ų | 176 | 164.1 Ų | 164.1 | 82% | 0.815 | 81% | 0.814 | S | S | * | * | trans | -148 | 117.1 | 167.5 | -87.1 | -78.9 | 0 | 0 | 0 | 111.8 | ||||
| 767 | H | 29.3 | Very low | 30.5 | Very low | 154 Ų | 154 | 165.3 Ų | 165.3 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | -174 | 116.2 | 128.6 | -106.9 | 74 | 0 | 0 | 0 | 111.5 | |||||
| 768 | F | 32.3 | Very low | 30.7 | Very low | 221 Ų | 221 | 166 Ų | 166 | 97% | 0.969 | 82% | 0.823 | S | S | * | * | trans | -156.1 | 112.5 | 139.4 | -113.4 | -73.4 | 0 | 0 | 0 | 107.4 | ||||
| 769 | Q | 29.6 | Very low | 30.8 | Very low | 133 Ų | 133 | 167.2 Ų | 167.2 | 62% | 0.621 | 83% | 0.826 | S | S | * | * | trans | -86.3 | 150.1 | 179.9 | -68.4 | 170 | -76.4 | 0 | 0 | 110.8 | ||||
| 770 | S | 37.9 | Very low | 30.9 | Very low | 127 Ų | 127 | 170.8 Ų | 170.8 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | trans | -129.3 | 137.7 | 145.8 | 55.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 771 | H | 31.3 | Very low | 30.9 | Very low | 124 Ų | 124 | 170.8 Ų | 170.8 | 57% | 0.574 | 83% | 0.832 | S | S | * | * | trans | -112.4 | 148.5 | -161.8 | -127.2 | -85.6 | 0 | 0 | 0 | 110.9 | ||||
| 772 | Y | 31.9 | Very low | 31.4 | Very low | 202 Ų | 202 | 174.1 Ų | 174.1 | 79% | 0.792 | 83% | 0.831 | S | S | * | * | trans | 66.2 | 160.2 | 167.7 | -69.5 | -64.1 | 0 | 0 | 0 | 116.5 | ||||
| 773 | L | 36.1 | Very low | 31.4 | Very low | 159 Ų | 159 | 174.3 Ų | 174.3 | 83% | 0.832 | 84% | 0.838 | S | S | * | * | cis | -134.6 | 169.9 | 8 | -132.2 | 147.3 | 0 | 0 | 0 | 111.1 | ||||
| 774 | Q | 29.9 | Very low | 31.6 | Very low | 177 Ų | 177 | 176.4 Ų | 176.4 | 83% | 0.827 | 84% | 0.841 | S | S | * | * | trans | -127.6 | 109.6 | -165.6 | 178.7 | -175.4 | 7.2 | 0 | 0 | 112.1 | ||||
| 775 | T | 34.6 | Very low | 31.9 | Very low | 214 Ų | 214 | 174.1 Ų | 174.1 | 100% | 1.313 | 84% | 0.837 | S | S | * | * | trans | -155.8 | 0 | 158.7 | 49.2 | 0 | 0 | 0 | 0 | 108.6 |
Retrieved 775 of 775 residues in 1065.4 ms
(Link to these results)