| 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 | 45.2 | Very low | 60.8 | Low | 204 Ų | 204 | 134.1 Ų | 134.1 | 100% | 1.005 | 64% | 0.644 | S | S | * | * | 0 | -62.8 | 0 | -141.5 | 165.2 | -171.3 | 0 | 0 | 112.6 | L3 R4 I5 | M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 2.69Å; M1-L3 VanDerWaalsContact O-N 3.08Å; M1-R4 PolarHBondContact O-N 3.22Å; M1-I5 PolarHBondContact O-N 2.77Å | |||
| 2 | K | 43.4 | Very low | 62 | Low | 180 Ų | 180 | 129.3 Ų | 129.3 | 78% | 0.783 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -42.1 | -47.3 | -176.8 | -66.1 | -173.3 | 178 | -176.6 | 0 | 115.1 | R4 I5 S6 | K2-R4 VanDerWaalsContact C-N 3.32Å; K2-R4 PolarHBondContact O-N 3.24Å; K2-I5 WeakPolarHBondContact O-CA 3.47Å; K2-I5 WeakPolarHBondContact O-CB 3.25Å; K2-I5 PolarHBondContact O-N 3.06Å; K2-S6 PolarHBondContact O-N 3.43Å; K2-S6 PolarHBondContact O-OG 2.78Å |
| 3 | L | 50.4 | Low | 62.9 | Low | 143 Ų | 143 | 131.8 Ų | 131.8 | 75% | 0.749 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -58.2 | -36.5 | 179.1 | -156.6 | 77.6 | 0 | 0 | 0 | 114.2 | M1 S6 V7 | M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 2.69Å; M1-L3 VanDerWaalsContact O-N 3.08Å; L3-S6 PolarHBondContact O-N 3.14Å; L3-V7 WeakPolarHBondContact O-CG2 3.45Å; L3-V7 PolarHBondContact O-N 2.71Å |
| 4 | R | 54.8 | Low | 63.7 | Low | 215 Ų | 215 | 128.7 Ų | 128.7 | 81% | 0.811 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.9 | -33.2 | 174.2 | -76.4 | -171.2 | 178.3 | 177.4 | -0.5 | 111.8 | M1 K2 L8 | M1-R4 PolarHBondContact O-N 3.22Å; K2-R4 VanDerWaalsContact C-N 3.32Å; K2-R4 PolarHBondContact O-N 3.24Å; R4-L8 WeakPolarHBondContact O-CB 3.48Å; R4-L8 PolarHBondContact O-N 3.01Å |
| 5 | I | 65.5 | Low | 64.3 | Low | 90 Ų | 90 | 127.8 Ų | 127.8 | 46% | 0.462 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -69.2 | -43 | 175.3 | -60.4 | 172 | 0 | 0 | 0 | 109.8 | M1 K2 L8 F9 | M1-I5 PolarHBondContact O-N 2.77Å; K2-I5 WeakPolarHBondContact O-CA 3.47Å; K2-I5 WeakPolarHBondContact O-CB 3.25Å; K2-I5 PolarHBondContact O-N 3.06Å; I5-L8 WeakPolarHBondContact O-CB 3.18Å; I5-L8 PolarHBondContact O-N 2.76Å; I5-F9 HydrophobicContact CG2-CD2 3.96Å; I5-F9 HydrophobicContact CG2-CE2 4.23Å; I5-F9 PolarHBondContact O-N 3.17Å |
| 6 | S | 57.9 | Low | 64.6 | Low | 63 Ų | 63 | 123.8 Ų | 123.8 | 44% | 0.441 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.6 | -42.7 | 173.7 | -56.4 | 0 | 0 | 0 | 0 | 112.4 | K2 L3 L8 F9 I10 | K2-S6 PolarHBondContact O-N 3.43Å; K2-S6 PolarHBondContact O-OG 2.78Å; L3-S6 PolarHBondContact O-N 3.14Å; S6-L8 VanDerWaalsContact C-N 3.32Å; S6-L8 PolarHBondContact O-N 3.46Å; S6-F9 PolarHBondContact O-N 2.97Å; S6-I10 WeakPolarHBondContact O-CB 3.43Å; S6-I10 VanDerWaalsContact O-CG1 3.29Å; S6-I10 WeakPolarHBondContact O-CG1 3.21Å; S6-I10 PolarHBondContact O-N 3.5Å |
| 7 | V | 69.7 | Low | 65 | Low | 75 Ų | 75 | 119.7 Ų | 119.7 | 46% | 0.455 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.1 | -34 | 173.9 | 170.8 | 0 | 0 | 0 | 0 | 111.8 | L3 K11 | L3-V7 WeakPolarHBondContact O-CG2 3.45Å; L3-V7 PolarHBondContact O-N 2.71Å; V7-K11 WeakPolarHBondContact O-CB 3.44Å; V7-K11 WeakPolarHBondContact O-CG 3.29Å; V7-K11 PolarHBondContact O-N 3.21Å |
| 8 | L | 71.5 | Confident | 65.4 | Low | 115 Ų | 115 | 118.1 Ų | 118.1 | 60% | 0.602 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.7 | -45.6 | 173.2 | -149.9 | 81.1 | 0 | 0 | 0 | 111.1 | R4 I5 S6 I10 K11 V12 | R4-L8 WeakPolarHBondContact O-CB 3.48Å; R4-L8 PolarHBondContact O-N 3.01Å; I5-L8 WeakPolarHBondContact O-CB 3.18Å; I5-L8 PolarHBondContact O-N 2.76Å; S6-L8 VanDerWaalsContact C-N 3.32Å; S6-L8 PolarHBondContact O-N 3.46Å; L8-I10 PolarHBondContact O-N 3.02Å; L8-K11 PolarHBondContact O-N 3.3Å; L8-V12 WeakPolarHBondContact O-CB 3.39Å; L8-V12 VanDerWaalsContact O-CG2 3.31Å; L8-V12 WeakPolarHBondContact O-CG2 3.12Å; L8-V12 PolarHBondContact O-N 2.96Å |
| 9 | F | 69.2 | Low | 65.5 | Low | 154 Ų | 154 | 119.8 Ų | 119.8 | 68% | 0.675 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.6 | -40.9 | 175.1 | -100.1 | -87.2 | 0 | 0 | 0 | 112.4 | I5 S6 V12 Y13 | I5-F9 HydrophobicContact CG2-CD2 3.96Å; I5-F9 HydrophobicContact CG2-CE2 4.23Å; I5-F9 PolarHBondContact O-N 3.17Å; S6-F9 PolarHBondContact O-N 2.97Å; F9-V12 PolarHBondContact O-N 3.18Å; F9-Y13 WeakPolarHBondContact O-CB 3.4Å; F9-Y13 PolarHBondContact O-N 3.23Å |
| 10 | I | 72.4 | Confident | 65.1 | Low | 102 Ų | 102 | 121 Ų | 121 | 52% | 0.523 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.2 | -41.1 | 175.1 | -70 | 164.4 | 0 | 0 | 0 | 110.7 | S6 L8 Y13 I14 | S6-I10 WeakPolarHBondContact O-CB 3.43Å; S6-I10 VanDerWaalsContact O-CG1 3.29Å; S6-I10 WeakPolarHBondContact O-CG1 3.21Å; S6-I10 PolarHBondContact O-N 3.5Å; L8-I10 PolarHBondContact O-N 3.02Å; I10-Y13 PolarHBondContact O-N 3.17Å; I10-I14 HydrophobicContact CG2-CD1 3.73Å; I10-I14 HydrophobicContact CG2-CG1 4.45Å; I10-I14 WeakPolarHBondContact O-CB 3.47Å; I10-I14 VanDerWaalsContact O-CG1 3.25Å; I10-I14 WeakPolarHBondContact O-CG1 3.41Å; I10-I14 PolarHBondContact O-N 3.46Å |
| 11 | K | 68.6 | Low | 64.9 | Low | 134 Ų | 134 | 120 Ų | 120 | 58% | 0.583 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.2 | -40.7 | 174.6 | -78.7 | -172.3 | 173.6 | -165.7 | 0 | 112.8 | V7 L8 L15 | V7-K11 WeakPolarHBondContact O-CB 3.44Å; V7-K11 WeakPolarHBondContact O-CG 3.29Å; V7-K11 PolarHBondContact O-N 3.21Å; L8-K11 PolarHBondContact O-N 3.3Å; K11-L15 VanDerWaalsContact O-CB 3.27Å; K11-L15 WeakPolarHBondContact O-CB 3.46Å; K11-L15 VanDerWaalsContact O-CG 3.28Å; K11-L15 WeakPolarHBondContact O-CG 3.39Å; K11-L15 PolarHBondContact O-N 3.19Å |
| 12 | V | 75 | Confident | 65.4 | Low | 76 Ų | 76 | 113.6 Ų | 113.6 | 46% | 0.461 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.7 | -43.1 | 174.9 | 169.2 | 0 | 0 | 0 | 0 | 110.3 | L8 F9 L15 T16 | L8-V12 WeakPolarHBondContact O-CB 3.39Å; L8-V12 VanDerWaalsContact O-CG2 3.31Å; L8-V12 WeakPolarHBondContact O-CG2 3.12Å; L8-V12 PolarHBondContact O-N 2.96Å; F9-V12 PolarHBondContact O-N 3.18Å; V12-L15 CarbonylContact O-C 3.54Å; V12-L15 PolarHBondContact O-N 2.71Å; V12-T16 HydrophobicContact CG1-CG2 4.29Å; V12-T16 WeakPolarHBondContact O-CG2 3.28Å; V12-T16 PolarHBondContact O-N 2.73Å; V12-T16 PolarHBondContact O-OG1 2.96Å |
| 13 | Y | 74.6 | Confident | 65.7 | Low | 162 Ų | 162 | 108.2 Ų | 108.2 | 64% | 0.635 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.3 | -43.8 | 176.7 | -174.8 | -101.7 | 0 | 0 | 0 | 112.2 | F9 I10 L15 T16 V17 | F9-Y13 WeakPolarHBondContact O-CB 3.4Å; F9-Y13 PolarHBondContact O-N 3.23Å; I10-Y13 PolarHBondContact O-N 3.17Å; Y13-L15 VanDerWaalsContact C-N 3.34Å; Y13-T16 WeakPolarHBondContact CA-OG1 3.35Å; Y13-T16 PolarHBondContact O-N 3.33Å; Y13-T16 PolarHBondContact O-OG1 3.41Å; Y13-T16 VanDerWaalsContact O-OG1 3.05Å; Y13-V17 HydrophobicContact CD1-CG2 4.22Å; Y13-V17 HydrophobicContact CE1-CG2 3.88Å; Y13-V17 HydrophobicContact CE2-CG2 4.26Å; Y13-V17 WeakPolarHBondContact O-CB 3.28Å; Y13-V17 VanDerWaalsContact O-CG2 3.27Å; Y13-V17 WeakPolarHBondContact O-CG2 3.33Å; Y13-V17 PolarHBondContact O-N 3.36Å |
| 14 | I | 73.4 | Confident | 65.3 | Low | 89 Ų | 89 | 104.3 Ų | 104.3 | 46% | 0.456 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 173.7 | -70.4 | 168.3 | 0 | 0 | 0 | 110.5 | I10 V17 I18 | I10-I14 HydrophobicContact CG2-CD1 3.73Å; I10-I14 HydrophobicContact CG2-CG1 4.45Å; I10-I14 WeakPolarHBondContact O-CB 3.47Å; I10-I14 VanDerWaalsContact O-CG1 3.25Å; I10-I14 WeakPolarHBondContact O-CG1 3.41Å; I10-I14 PolarHBondContact O-N 3.46Å; I14-V17 PolarHBondContact O-N 2.87Å; I14-I18 HydrophobicContact CG2-CD1 3.69Å; I14-I18 HydrophobicContact CG2-CG1 4.33Å; I14-I18 VanDerWaalsContact O-CB 3.3Å; I14-I18 WeakPolarHBondContact O-CB 3.42Å; I14-I18 VanDerWaalsContact O-CG1 3.22Å; I14-I18 WeakPolarHBondContact O-CG1 3.48Å; I14-I18 PolarHBondContact O-N 3.17Å |
| 15 | L | 72.3 | Confident | 64.4 | Low | 115 Ų | 115 | 98.5 Ų | 98.5 | 60% | 0.602 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.2 | -37 | 174.7 | -78.9 | 166.1 | 0 | 0 | 0 | 112.5 | K11 V12 Y13 Y19 | K11-L15 VanDerWaalsContact O-CB 3.27Å; K11-L15 WeakPolarHBondContact O-CB 3.46Å; K11-L15 VanDerWaalsContact O-CG 3.28Å; K11-L15 WeakPolarHBondContact O-CG 3.39Å; K11-L15 PolarHBondContact O-N 3.19Å; V12-L15 CarbonylContact O-C 3.54Å; V12-L15 PolarHBondContact O-N 2.71Å; Y13-L15 VanDerWaalsContact C-N 3.34Å; L15-Y19 WeakPolarHBondContact O-CB 3.48Å; L15-Y19 PolarHBondContact O-N 2.74Å |
| 16 | T | 69 | Low | 62.9 | Low | 64 Ų | 64 | 99.1 Ų | 99.1 | 39% | 0.393 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -74.2 | -32.7 | 176.1 | 57.6 | 0 | 0 | 0 | 0 | 112 | V12 Y13 F20 | V12-T16 HydrophobicContact CG1-CG2 4.29Å; V12-T16 WeakPolarHBondContact O-CG2 3.28Å; V12-T16 PolarHBondContact O-N 2.73Å; V12-T16 PolarHBondContact O-OG1 2.96Å; Y13-T16 WeakPolarHBondContact CA-OG1 3.35Å; Y13-T16 PolarHBondContact O-N 3.33Å; Y13-T16 PolarHBondContact O-OG1 3.41Å; Y13-T16 VanDerWaalsContact O-OG1 3.05Å; T16-F20 WeakPolarHBondContact O-CB 3.4Å; T16-F20 WeakPolarHBondContact O-CD2 3.3Å; T16-F20 PolarHBondContact O-N 3Å |
| 17 | V | 71.7 | Confident | 61.6 | Low | 54 Ų | 54 | 99 Ų | 99 | 33% | 0.327 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.7 | -42 | 172.5 | 169.1 | 0 | 0 | 0 | 0 | 111 | Y13 I14 Y19 F20 I21 | Y13-V17 HydrophobicContact CD1-CG2 4.22Å; Y13-V17 HydrophobicContact CE1-CG2 3.88Å; Y13-V17 HydrophobicContact CE2-CG2 4.26Å; Y13-V17 WeakPolarHBondContact O-CB 3.28Å; Y13-V17 VanDerWaalsContact O-CG2 3.27Å; Y13-V17 WeakPolarHBondContact O-CG2 3.33Å; Y13-V17 PolarHBondContact O-N 3.36Å; I14-V17 PolarHBondContact O-N 2.87Å; V17-Y19 VanDerWaalsContact C-N 3.34Å; V17-F20 PolarHBondContact O-N 3.16Å; V17-I21 HydrophobicContact CG1-CD1 3.75Å; V17-I21 HydrophobicContact CG1-CG1 4.47Å; V17-I21 WeakPolarHBondContact O-CB 3.49Å; V17-I21 VanDerWaalsContact O-CG1 3.23Å; V17-I21 WeakPolarHBondContact O-CG1 3.32Å; V17-I21 PolarHBondContact O-N 2.81Å |
| 18 | I | 71.7 | Confident | 59.8 | Low | 90 Ų | 90 | 103.2 Ų | 103.2 | 46% | 0.462 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 171.2 | -70.9 | 170.3 | 0 | 0 | 0 | 110 | I14 I21 T22 | I14-I18 HydrophobicContact CG2-CD1 3.69Å; I14-I18 HydrophobicContact CG2-CG1 4.33Å; I14-I18 VanDerWaalsContact O-CB 3.3Å; I14-I18 WeakPolarHBondContact O-CB 3.42Å; I14-I18 VanDerWaalsContact O-CG1 3.22Å; I14-I18 WeakPolarHBondContact O-CG1 3.48Å; I14-I18 PolarHBondContact O-N 3.17Å; I18-I21 PolarHBondContact O-N 3.04Å; I18-T22 HydrophobicContact CG2-CG2 4.34Å; I18-T22 WeakPolarHBondContact O-CG2 3.32Å; I18-T22 PolarHBondContact O-N 3.4Å; I18-T22 PolarHBondContact O-OG1 2.76Å |
| 19 | Y | 67.6 | Low | 57.7 | Low | 151 Ų | 151 | 104.8 Ų | 104.8 | 59% | 0.592 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.5 | -43.6 | 176.5 | -176.1 | -109.5 | 0 | 0 | 0 | 111.9 | L15 V17 T22 I23 | L15-Y19 WeakPolarHBondContact O-CB 3.48Å; L15-Y19 PolarHBondContact O-N 2.74Å; V17-Y19 VanDerWaalsContact C-N 3.34Å; Y19-T22 WeakPolarHBondContact CA-OG1 3.34Å; Y19-T22 PolarHBondContact O-N 2.88Å; Y19-T22 PolarHBondContact O-OG1 2.81Å; Y19-I23 HydrophobicContact CD1-CD1 3.76Å; Y19-I23 HydrophobicContact CE1-CD1 3.37Å; Y19-I23 HydrophobicContact CE2-CD1 4.22Å; Y19-I23 HydrophobicContact CG-CD1 4.34Å; Y19-I23 WeakPolarHBondContact O-CB 3.26Å; Y19-I23 WeakPolarHBondContact O-CG1 3.08Å; Y19-I23 PolarHBondContact O-N 3.34Å |
| 20 | F | 59.1 | Low | 55.5 | Low | 144 Ų | 144 | 104.2 Ų | 104.2 | 63% | 0.632 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.9 | -42.7 | 172.6 | -104.4 | -86 | 0 | 0 | 0 | 112.3 | T16 V17 I23 S24 | T16-F20 WeakPolarHBondContact O-CB 3.4Å; T16-F20 WeakPolarHBondContact O-CD2 3.3Å; T16-F20 PolarHBondContact O-N 3Å; V17-F20 PolarHBondContact O-N 3.16Å; F20-I23 PolarHBondContact O-N 3.45Å; F20-S24 WeakPolarHBondContact O-CB 3.42Å; F20-S24 PolarHBondContact O-N 3.03Å; F20-S24 PolarHBondContact O-OG 3.09Å |
| 21 | I | 60.8 | Low | 53.2 | Low | 99 Ų | 99 | 104.9 Ų | 104.9 | 51% | 0.508 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 177.1 | -70.4 | 167.2 | 0 | 0 | 0 | 110.7 | V17 I18 S24 C25 | V17-I21 HydrophobicContact CG1-CD1 3.75Å; V17-I21 HydrophobicContact CG1-CG1 4.47Å; V17-I21 WeakPolarHBondContact O-CB 3.49Å; V17-I21 VanDerWaalsContact O-CG1 3.23Å; V17-I21 WeakPolarHBondContact O-CG1 3.32Å; V17-I21 PolarHBondContact O-N 2.81Å; I18-I21 PolarHBondContact O-N 3.04Å; I21-S24 PolarHBondContact O-N 2.93Å; I21-C25 VanDerWaalsContact O-CB 3.29Å; I21-C25 WeakPolarHBondContact O-CB 3.34Å; I21-C25 PolarHBondContact O-N 2.72Å; I21-C25 PolarHBondContact O-SG 2.99Å; I21-C25 VanDerWaalsContact O-SG 3.33Å |
| 22 | T | 55.8 | Low | 51.2 | Low | 70 Ų | 70 | 109.3 Ų | 109.3 | 43% | 0.429 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.6 | -41 | 173.3 | 49.9 | 0 | 0 | 0 | 0 | 111.1 | I18 Y19 C25 T26 | I18-T22 HydrophobicContact CG2-CG2 4.34Å; I18-T22 WeakPolarHBondContact O-CG2 3.32Å; I18-T22 PolarHBondContact O-N 3.4Å; I18-T22 PolarHBondContact O-OG1 2.76Å; Y19-T22 WeakPolarHBondContact CA-OG1 3.34Å; Y19-T22 PolarHBondContact O-N 2.88Å; Y19-T22 PolarHBondContact O-OG1 2.81Å; T22-C25 CarbonylContact O-C 3.52Å; T22-C25 PolarHBondContact O-N 2.71Å; T22-T26 WeakPolarHBondContact O-CB 3.39Å; T22-T26 WeakPolarHBondContact O-CG2 3.34Å; T22-T26 PolarHBondContact O-N 3.44Å; T22-T26 PolarHBondContact O-OG1 3.08Å |
| 23 | I | 49.8 | Very low | 48.7 | Very low | 68 Ų | 68 | 112.4 Ų | 112.4 | 35% | 0.349 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.1 | -53.2 | 173.5 | -77.4 | 173.3 | 0 | 0 | 0 | 109.6 | Y19 F20 C25 T26 S27 | Y19-I23 HydrophobicContact CD1-CD1 3.76Å; Y19-I23 HydrophobicContact CE1-CD1 3.37Å; Y19-I23 HydrophobicContact CE2-CD1 4.22Å; Y19-I23 HydrophobicContact CG-CD1 4.34Å; Y19-I23 WeakPolarHBondContact O-CB 3.26Å; Y19-I23 WeakPolarHBondContact O-CG1 3.08Å; Y19-I23 PolarHBondContact O-N 3.34Å; F20-I23 PolarHBondContact O-N 3.45Å; I23-C25 VanDerWaalsContact C-N 3.31Å; I23-C25 PolarHBondContact O-N 3.22Å; I23-T26 CarbonylContact O-C 3.38Å; I23-T26 PolarHBondContact O-N 3.26Å; I23-T26 PolarHBondContact O-OG1 3.35Å; I23-S27 WeakPolarHBondContact O-CB 3.38Å; I23-S27 PolarHBondContact O-N 3.15Å; I23-S27 PolarHBondContact O-OG 2.89Å; I23-S27 VanDerWaalsContact O-OG 3.14Å |
| 24 | S | 40.4 | Very low | 46.4 | Very low | 61 Ų | 61 | 114.8 Ų | 114.8 | 43% | 0.427 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -59 | -38.6 | 178.3 | -64.1 | 0 | 0 | 0 | 0 | 113 | F20 I21 T26 S27 E28 | F20-S24 WeakPolarHBondContact O-CB 3.42Å; F20-S24 PolarHBondContact O-N 3.03Å; F20-S24 PolarHBondContact O-OG 3.09Å; I21-S24 PolarHBondContact O-N 2.93Å; S24-T26 VanDerWaalsContact C-N 3.34Å; S24-S27 WeakPolarHBondContact CA-OG 3.5Å; S24-S27 PolarHBondContact O-N 2.86Å; S24-E28 PolarHBondContact O-N 3.08Å |
| 25 | C | 37.1 | Very low | 44 | Very low | 92 Ų | 92 | 114.4 Ų | 114.4 | 62% | 0.622 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -80.8 | -8.5 | 176.1 | -65.9 | 0 | 0 | 0 | 0 | 114.3 | I21 T22 I23 | I21-C25 VanDerWaalsContact O-CB 3.29Å; I21-C25 WeakPolarHBondContact O-CB 3.34Å; I21-C25 PolarHBondContact O-N 2.72Å; I21-C25 PolarHBondContact O-SG 2.99Å; I21-C25 VanDerWaalsContact O-SG 3.33Å; T22-C25 CarbonylContact O-C 3.52Å; T22-C25 PolarHBondContact O-N 2.71Å; I23-C25 VanDerWaalsContact C-N 3.31Å; I23-C25 PolarHBondContact O-N 3.22Å |
| 26 | T | 34.2 | Very low | 41.7 | Very low | 103 Ų | 103 | 117.2 Ų | 117.2 | 63% | 0.632 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -106.9 | -6 | 167.4 | 60.6 | 0 | 0 | 0 | 0 | 113.2 | T22 I23 S24 | T22-T26 WeakPolarHBondContact O-CB 3.39Å; T22-T26 WeakPolarHBondContact O-CG2 3.34Å; T22-T26 PolarHBondContact O-N 3.44Å; T22-T26 PolarHBondContact O-OG1 3.08Å; I23-T26 CarbonylContact O-C 3.38Å; I23-T26 PolarHBondContact O-N 3.26Å; I23-T26 PolarHBondContact O-OG1 3.35Å; S24-T26 VanDerWaalsContact C-N 3.34Å |
| 27 | S | 30.4 | Very low | 39.6 | Very low | 60 Ų | 60 | 119.6 Ų | 119.6 | 42% | 0.42 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -107.5 | 5 | 177.1 | 79.1 | 0 | 0 | 0 | 0 | 113.2 | I23 S24 N29 | I23-S27 WeakPolarHBondContact O-CB 3.38Å; I23-S27 PolarHBondContact O-N 3.15Å; I23-S27 PolarHBondContact O-OG 2.89Å; I23-S27 VanDerWaalsContact O-OG 3.14Å; S24-S27 WeakPolarHBondContact CA-OG 3.5Å; S24-S27 PolarHBondContact O-N 2.86Å; S27-N29 PolarHBondContact O-N 2.89Å |
| 28 | E | 31.5 | Very low | 37.4 | Very low | 165 Ų | 165 | 124.3 Ų | 124.3 | 77% | 0.771 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 4.4 | 159.6 | -76.6 | -175.7 | 151.7 | 0 | 0 | 112.3 | S24 | S24-E28 PolarHBondContact O-N 3.08Š|
| 29 | N | 27.3 | Very low | 35.1 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 79% | 0.786 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.2 | 43.9 | 166 | -77 | -64.1 | 0 | 0 | 0 | 111.8 | S27 | S27-N29 PolarHBondContact O-N 2.89Š|
| 30 | H | 23.5 | Very low | 33.1 | Very low | 143 Ų | 143 | 129.4 Ų | 129.4 | 66% | 0.662 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -157.9 | 115.4 | 157.7 | -101.9 | -66 | 0 | 0 | 0 | 111.2 | ||
| 31 | D | 24.3 | Very low | 31.5 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 62% | 0.62 | 66% | 0.664 | S | S | * | * | trans | 42.1 | 101.2 | 143.9 | -47.6 | -42.4 | 0 | 0 | 0 | 119.8 | E33 | D31-E33 HydrophobicContact CB-CB 4.32Å; D31-E33 HydrophobicContact CB-CG 4.4Å; D31-E33 PolarHBondContact O-N 3.25Å | ||
| 32 | Y | 26.1 | Very low | 30.1 | Very low | 226 Ų | 226 | 132.5 Ų | 132.5 | 89% | 0.886 | 68% | 0.682 | S | S | * | * | trans | -80.6 | 55.7 | 142.4 | -101.2 | -78.3 | 0 | 0 | 0 | 110.7 | Y34 | Y32-Y34 PolarHBondContact O-N 3.32Š| ||
| 33 | E | 22.9 | Very low | 29 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 66% | 0.664 | 68% | 0.682 | S | S | * | * | trans | -67.8 | 98 | 158.1 | -91.6 | -147.6 | 119.7 | 0 | 0 | 108.2 | D31 S35 | D31-E33 HydrophobicContact CB-CB 4.32Å; D31-E33 HydrophobicContact CB-CG 4.4Å; D31-E33 PolarHBondContact O-N 3.25Å; E33-S35 PolarHBondContact O-N 3.13Å | ||
| 34 | Y | 25.2 | Very low | 28.6 | Very low | 212 Ų | 212 | 134 Ų | 134 | 83% | 0.831 | 69% | 0.69 | S | S | * | * | trans | -79.9 | 66.7 | 158.5 | -139.4 | -85.5 | 0 | 0 | 0 | 108.9 | Y32 H36 | Y32-Y34 PolarHBondContact O-N 3.32Å; Y34-H36 VanDerWaalsContact C-N 3.29Å; Y34-H36 PolarHBondContact O-N 3.2Å | ||
| 35 | S | 23.3 | Very low | 29.1 | Very low | 81 Ų | 81 | 132.5 Ų | 132.5 | 57% | 0.566 | 68% | 0.678 | S | S | * | * | trans | -69.1 | 78.7 | -173.4 | 64 | 0 | 0 | 0 | 0 | 111.4 | E33 S37 | E33-S35 PolarHBondContact O-N 3.13Å; S35-S37 PolarHBondContact O-N 2.76Å | ||
| 36 | H | 25.2 | Very low | 30.1 | Very low | 173 Ų | 173 | 130.7 Ų | 130.7 | 80% | 0.801 | 66% | 0.662 | S | S | * | * | trans | -66.7 | 109.3 | 163.4 | -139.2 | -42.4 | 0 | 0 | 0 | 107.5 | Y34 L38 | Y34-H36 VanDerWaalsContact C-N 3.29Å; Y34-H36 PolarHBondContact O-N 3.2Å; H36-L38 PolarHBondContact O-N 2.83Å | ||
| 37 | S | 23.8 | Very low | 32 | Very low | 114 Ų | 114 | 126.6 Ų | 126.6 | 80% | 0.797 | 64% | 0.637 | S | S | * | * | trans | -66.9 | 84 | -160.5 | 62.8 | 0 | 0 | 0 | 0 | 114.5 | S35 | S35-S37 PolarHBondContact O-N 2.76Š| ||
| 38 | L | 24.7 | Very low | 34.6 | Very low | 154 Ų | 154 | 124.9 Ų | 124.9 | 81% | 0.806 | 62% | 0.622 | S | S | * | * | trans | -110.3 | 130.2 | 164.6 | -80.8 | 162.9 | 0 | 0 | 0 | 108.4 | H36 L40 | H36-L38 PolarHBondContact O-N 2.83Å; L38-L40 PolarHBondContact O-N 3.26Å; L38-L40 VanDerWaalsContact O-N 3.13Å | ||
| 39 | K | 25.3 | Very low | 37.3 | Very low | 205 Ų | 205 | 117.1 Ų | 117.1 | 89% | 0.891 | 59% | 0.585 | S | S | * | * | trans | -58.6 | 118.3 | -173.2 | -70.7 | 176.9 | 176.6 | 176.7 | 0 | 110.2 | S41 | K39-S41 PolarHBondContact O-N 3.48Š| ||
| 40 | L | 25.5 | Very low | 40.3 | Very low | 142 Ų | 142 | 110.3 Ų | 110.3 | 74% | 0.743 | 55% | 0.549 | S | S | * | . | trans | -75.2 | 70.2 | -176.3 | -143.6 | 82.9 | 0 | 0 | 0 | 111.9 | L38 K42 I43 | L38-L40 PolarHBondContact O-N 3.26Å; L38-L40 VanDerWaalsContact O-N 3.13Å; L40-K42 PolarHBondContact O-N 3.15Å; L40-I43 HydrophobicContact CD1-CD1 3.74Å; L40-I43 HydrophobicContact CD1-CG1 4.39Å; L40-I43 HydrophobicContact CD2-CD1 4.31Å; L40-I43 HydrophobicContact CG-CD1 4.04Å; L40-I43 HydrophobicContact CG-CG1 4.28Å | ||
| 41 | S | 25.4 | Very low | 43.4 | Very low | 104 Ų | 104 | 103.5 Ų | 103.5 | 73% | 0.727 | 52% | 0.517 | S | S | * | . | trans | -62.6 | 117 | 165 | 52.8 | 0 | 0 | 0 | 0 | 108.8 | K39 I43 | K39-S41 PolarHBondContact O-N 3.48Å; S41-I43 PolarHBondContact O-N 3.02Å; S41-I43 VanDerWaalsContact O-N 3.09Å | ||
| 42 | K | 30.3 | Very low | 46.6 | Very low | 204 Ų | 204 | 98.2 Ų | 98.2 | 89% | 0.887 | 49% | 0.489 | S | S | * | . | trans | -0.1 | 92 | 176.3 | -76.7 | -172.7 | 170.7 | -173.1 | 0 | 114.2 | L40 T44 | L40-K42 PolarHBondContact O-N 3.15Å; K42-T44 PolarHBondContact O-N 3.12Å | ||
| 43 | I | 32.7 | Very low | 49.6 | Very low | 86 Ų | 86 | 87.4 Ų | 87.4 | 44% | 0.441 | 45% | 0.447 | S | S | . | . | trans | -62.5 | 122.1 | 170.1 | -69 | 177.6 | 0 | 0 | 0 | 107.7 | L40 S41 | L40-I43 HydrophobicContact CD1-CD1 3.74Å; L40-I43 HydrophobicContact CD1-CG1 4.39Å; L40-I43 HydrophobicContact CD2-CD1 4.31Å; L40-I43 HydrophobicContact CG-CD1 4.04Å; L40-I43 HydrophobicContact CG-CG1 4.28Å; S41-I43 PolarHBondContact O-N 3.02Å; S41-I43 VanDerWaalsContact O-N 3.09Å | ||
| 44 | T | 42.4 | Very low | 52.7 | Low | 84 Ų | 84 | 80.7 Ų | 80.7 | 52% | 0.515 | 42% | 0.415 | S | S | . | . | trans | -77.6 | 143.4 | 171.4 | 64.3 | 0 | 0 | 0 | 0 | 109.5 | K42 D46 S47 | K42-T44 PolarHBondContact O-N 3.12Å; T44-D46 WeakPolarHBondContact CB-OD2 3.5Å; T44-D46 PolarHBondContact O-N 2.7Å; T44-D46 VanDerWaalsContact O-N 3.09Å; T44-D46 PolarHBondContact OG1-OD2 3.35Å; T44-S47 WeakPolarHBondContact O-CB 3.25Å; T44-S47 PolarHBondContact O-N 2.94Å; T44-S47 PolarHBondContact O-OG 3.2Å | ||
| 45 | N | 50.7 | Low | 55.5 | Low | 30 Ų | 30 | 72 Ų | 72 | 16% | 0.16 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -73.9 | 1.4 | -171.2 | -79.2 | -14 | 0 | 0 | 0 | 114 | S47 Y48 D183 | N45-S47 PolarHBondContact O-N 3.3Å; N45-S47 VanDerWaalsContact O-N 3.13Å; N45-Y48 PolarHBondContact O-N 3.32Å; N45-D183 PolarHBondContact ND2-OD2 3.29Å |
| 46 | D | 58 | Low | 58.4 | Low | 53 Ų | 53 | 68.1 Ų | 68.1 | 28% | 0.283 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -64.2 | -9.1 | 167.9 | -30.7 | -57.1 | 0 | 0 | 0 | 112.4 | T44 Y48 R63 | T44-D46 WeakPolarHBondContact CB-OD2 3.5Å; T44-D46 PolarHBondContact O-N 2.7Å; T44-D46 VanDerWaalsContact O-N 3.09Å; T44-D46 PolarHBondContact OG1-OD2 3.35Å; D46-Y48 PolarHBondContact O-N 3.06Å; D46-R63 WeakPolarHBondContact O-CD 3.45Å; D46-R63 PolarHBondContact O-NE 2.93Å |
| 47 | S | 74.5 | Confident | 61.4 | Low | 17 Ų | 17 | 60.8 Ų | 60.8 | 12% | 0.119 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -75 | -2 | 176.5 | -64.4 | 0 | 0 | 0 | 0 | 114.6 | T44 N45 H62 R63 | T44-S47 WeakPolarHBondContact O-CB 3.25Å; T44-S47 PolarHBondContact O-N 2.94Å; T44-S47 PolarHBondContact O-OG 3.2Å; N45-S47 PolarHBondContact O-N 3.3Å; N45-S47 VanDerWaalsContact O-N 3.13Å; S47-H62 CarbonylContact O-C 3.58Å; S47-H62 WeakPolarHBondContact O-CA 3.39Å; S47-H62 PolarHBondContact O-CD2 3.09Å; S47-R63 WeakPolarHBondContact O-CG 3.35Å; S47-R63 PolarHBondContact O-N 2.84Å |
| 48 | Y | 84.2 | Confident | 64.5 | Low | 24 Ų | 24 | 55.6 Ų | 55.6 | 9% | 0.094 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 143.9 | -176.8 | -69.5 | -85.5 | 0 | 0 | 0 | 114 | N45 D46 V61 H62 R69 | N45-Y48 PolarHBondContact O-N 3.32Å; D46-Y48 PolarHBondContact O-N 3.06Å; Y48-V61 WeakPolarHBondContact CA-O 3.33Å; Y48-H62 HydrophobicContact CD1-CB 4.1Å; Y48-H62 HydrophobicContact CE1-CB 3.72Å; Y48-R69 HydrophobicContact CE1-CB 3.94Å; Y48-R69 VanDerWaalsContact CE2-NH2 3.34Å; Y48-R69 PolarHBondContact OH-NE 2.98Å; Y48-R69 PolarHBondContact OH-NH2 3.1Å |
| 49 | I | 87.8 | Confident | 67.7 | Low | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 149.8 | 173.8 | 59.5 | 173.6 | 0 | 0 | 0 | 110.7 | V61 R63 W246 M257 Y258 I302 | I49-V61 HydrophobicContact CG1-CB 4.26Å; I49-V61 WeakPolarHBondContact CG1-O 3.35Å; I49-V61 PolarHBondContact N-O 3.38Å; I49-V61 PolarHBondContact O-N 3.29Å; I49-R63 HydrophobicContact CG2-CB 4.15Å; I49-W246 HydrophobicContact CD1-CH2 4.38Å; I49-W246 HydrophobicContact CD1-CZ2 4.38Å; I49-M257 HydrophobicContact CD1-CE 3.86Å; I49-Y258 CarbonylContact C-O 3.56Å; I49-Y258 WeakPolarHBondContact CA-O 3.32Å; I49-I302 HydrophobicContact CB-CD1 4.12Å; I49-I302 HydrophobicContact CG2-CD1 3.61Å |
| 50 | L | 89.8 | Confident | 70.8 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 126.5 | 175.6 | -64.2 | 170.6 | 0 | 0 | 0 | 110.2 | I58 L59 C60 W70 L187 M257 Y258 L260 L299 | L50-I58 HydrophobicContact CD2-CG2 4.43Å; L50-L59 CarbonylContact C-O 3.58Å; L50-L59 WeakPolarHBondContact CA-O 3.47Å; L50-C60 HydrophobicContact CD2-CB 3.82Å; L50-W70 HydrophobicContact CD2-CH2 3.47Å; L50-W70 VanDerWaalsContact CD2-CH2 3.47Å; L50-W70 HydrophobicContact CD2-CZ2 4.09Å; L50-W70 HydrophobicContact CD2-CZ3 4.06Å; L50-L187 HydrophobicContact CD1-CD2 4.19Å; L50-M257 CarbonylContact O-C 3.52Å; L50-M257 WeakPolarHBondContact O-CA 3.19Å; L50-Y258 PolarHBondContact N-O 3.01Å; L50-Y258 PolarHBondContact O-N 3.22Å; L50-L260 HydrophobicContact CD1-CD1 3.94Å; L50-L260 HydrophobicContact CD1-CD2 4.09Å; L50-L260 HydrophobicContact CD1-CG 4.16Å; L50-L260 HydrophobicContact CD2-CD1 4.47Å; L50-L260 HydrophobicContact CG-CD1 3.87Å; L50-L260 HydrophobicContact CG-CG 4.49Å; L50-L299 HydrophobicContact CD1-CD2 3.75Å |
| 51 | I | 90 | Very high | 73.9 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 127.5 | 177 | -52.4 | 168.1 | 0 | 0 | 0 | 108.4 | I58 L59 V61 L236 L248 L250 V254 | I51-I58 VanDerWaalsContact O-CA 3.29Å; I51-I58 WeakPolarHBondContact O-CA 3.47Å; I51-L59 HydrophobicContact CB-CB 4.44Å; I51-L59 HydrophobicContact CB-CD1 4.44Å; I51-L59 PolarHBondContact N-O 2.95Å; I51-L59 PolarHBondContact O-N 3.3Å; I51-V61 HydrophobicContact CD1-CB 4.17Å; I51-V61 HydrophobicContact CD1-CG2 3.52Å; I51-V61 HydrophobicContact CG1-CG2 4.22Å; I51-L236 HydrophobicContact CD1-CD2 3.4Å; I51-L236 VanDerWaalsContact CD1-CD2 3.4Å; I51-L236 HydrophobicContact CG1-CD2 3.89Å; I51-L248 HydrophobicContact CD1-CD2 3.74Å; I51-L250 HydrophobicContact CG2-CD1 4.15Å; I51-V254 HydrophobicContact CG2-CG1 4.03Å; I51-V254 HydrophobicContact CG2-CG2 3.97Å |
| 52 | H | 90.3 | Very high | 76.9 | Confident | 5 Ų | 5 | 29.2 Ų | 29.2 | 2% | 0.023 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125 | 175 | 179.4 | -145 | 0 | 0 | 0 | 110.1 | F213 I255 G256 Y258 | H52-F213 AromaticContact CE1-CD2 3.87Å; H52-F213 AromaticContact CE1-CE2 3.67Å; H52-F213 AromaticContact ND1-CD2 3.8Å; H52-F213 AromaticContact ND1-CE2 3.91Å; H52-F213 AromaticContact NE2-CE2 3.81Å; H52-I255 VanDerWaalsContact O-CG1 3.24Å; H52-I255 WeakPolarHBondContact O-CG1 3.39Å; H52-I255 PolarHBondContact O-N 3.43Å; H52-G256 PolarHBondContact N-O 3.13Å; H52-G256 PolarHBondContact O-N 2.66Å; H52-Y258 HydrophobicContact CB-CE2 4.08Å |
| 53 | T | 90 | Very high | 79.4 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 156.6 | -178 | 72.9 | 0 | 0 | 0 | 0 | 112.3 | G55 G56 E57 L59 L250 S252 P253 | T53-G55 PolarHBondContact O-N 2.72Å; T53-G55 VanDerWaalsContact O-N 3.17Å; T53-G56 PolarHBondContact O-N 2.9Å; T53-E57 HydrophobicContact CG2-CB 4.3Å; T53-E57 PolarHBondContact N-O 3.05Å; T53-E57 WeakPolarHBondContact OG1-CB 3.25Å; T53-E57 PolarHBondContact OG1-N 3.31Å; T53-E57 PolarHBondContact OG1-O 2.7Å; T53-L59 HydrophobicContact CG2-CD1 3.95Å; T53-L250 HydrophobicContact CG2-CB 4.47Å; T53-L250 HydrophobicContact CG2-CD1 4.36Å; T53-S252 WeakPolarHBondContact CB-OG 3.26Å; T53-S252 PolarHBondContact OG1-OG 3.25Å; T53-P253 CarbonylContact C-O 3.58Å; T53-P253 WeakPolarHBondContact CA-O 3.49Å |
| 54 | L | 87.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -33.2 | 179.3 | -179.5 | 57.6 | 0 | 0 | 0 | 113.8 | G56 A77 L78 P92 P253 I255 Y351 | L54-G56 VanDerWaalsContact C-N 3.26Å; L54-G56 PolarHBondContact O-N 3.07Å; L54-A77 PolarHBondContact O-N 3.21Å; L54-L78 HydrophobicContact CD1-CB 3.89Å; L54-P92 HydrophobicContact CD1-CB 3.59Å; L54-P92 HydrophobicContact CD1-CG 3.67Å; L54-P253 PolarHBondContact N-O 2.92Å; L54-I255 HydrophobicContact CB-CG2 4.2Å; L54-Y351 HydrophobicContact CD2-CD1 3.67Å; L54-Y351 HydrophobicContact CD2-CD2 3.93Å; L54-Y351 HydrophobicContact CD2-CE1 3.42Å; L54-Y351 VanDerWaalsContact CD2-CE1 3.42Å; L54-Y351 HydrophobicContact CD2-CE2 3.72Å; L54-Y351 HydrophobicContact CD2-CG 3.92Å; L54-Y351 VanDerWaalsContact CD2-CZ 3.46Å |
| 55 | G | 83.7 | Confident | 83.8 | Confident | 30 Ų | 30 | 22.4 Ų | 22.4 | 31% | 0.309 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -22.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | T53 S76 S252 | T53-G55 PolarHBondContact O-N 2.72Å; T53-G55 VanDerWaalsContact O-N 3.17Å; G55-S76 WeakPolarHBondContact O-CA 3.49Å; G55-S76 VanDerWaalsContact O-CB 3.27Å; G55-S76 WeakPolarHBondContact O-CB 3.16Å; G55-S76 PolarHBondContact O-OG 3.39Å; G55-S252 PolarHBondContact N-OG 2.99Å |
| 56 | G | 84.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 108.8 | -4.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | T53 L54 I58 S74 | T53-G56 PolarHBondContact O-N 2.9Å; L54-G56 VanDerWaalsContact C-N 3.26Å; L54-G56 PolarHBondContact O-N 3.07Å; G56-I58 PolarHBondContact O-N 3.41Å; G56-S74 WeakPolarHBondContact CA-O 3.48Å; G56-S74 WeakPolarHBondContact O-CA 3.46Å; G56-S74 VanDerWaalsContact O-CB 3.23Å; G56-S74 WeakPolarHBondContact O-CB 3.41Å; G56-S74 PolarHBondContact O-N 2.86Å |
| 57 | E | 88.3 | Confident | 86.6 | Confident | 18 Ų | 18 | 25.6 Ų | 25.6 | 8% | 0.084 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 135.6 | 173.6 | -58 | -178.3 | 106.7 | 0 | 0 | 110.3 | T53 L59 K71 S251 | T53-E57 HydrophobicContact CG2-CB 4.3Å; T53-E57 PolarHBondContact N-O 3.05Å; T53-E57 WeakPolarHBondContact OG1-CB 3.25Å; T53-E57 PolarHBondContact OG1-N 3.31Å; T53-E57 PolarHBondContact OG1-O 2.7Å; E57-L59 HydrophobicContact CB-CD1 4.01Å; E57-K71 IonicContact OE1-NZ 2.69Å; E57-K71 PolarHBondContact OE1-NZ 3.45Å; E57-S251 VanDerWaalsContact CD-OG 3.31Å; E57-S251 WeakPolarHBondContact OE2-CB 3.43Å; E57-S251 PolarHBondContact OE2-N 2.88Å; E57-S251 PolarHBondContact OE2-OG 2.71Å |
| 58 | I | 89.8 | Confident | 87.2 | Confident | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 123.3 | 168.7 | -62.1 | 177.2 | 0 | 0 | 0 | 108.2 | L50 I51 G56 W70 K71 F72 F213 | L50-I58 HydrophobicContact CD2-CG2 4.43Å; I51-I58 VanDerWaalsContact O-CA 3.29Å; I51-I58 WeakPolarHBondContact O-CA 3.47Å; G56-I58 PolarHBondContact O-N 3.41Å; I58-W70 HydrophobicContact CG2-CZ3 4.36Å; I58-K71 CarbonylContact O-C 3.59Å; I58-K71 WeakPolarHBondContact O-CA 3.3Å; I58-K71 WeakPolarHBondContact O-CB 3.46Å; I58-F72 HydrophobicContact CB-CD1 4.43Å; I58-F72 HydrophobicContact CB-CE1 4Å; I58-F72 HydrophobicContact CB-CE2 4.32Å; I58-F72 HydrophobicContact CB-CZ 3.95Å; I58-F72 HydrophobicContact CD1-CE2 4Å; I58-F72 HydrophobicContact CD1-CZ 3.75Å; I58-F72 HydrophobicContact CG1-CZ 4.35Å; I58-F72 HydrophobicContact CG2-CE1 3.98Å; I58-F72 HydrophobicContact CG2-CZ 4.16Å; I58-F72 PolarHBondContact N-O 2.86Å; I58-F72 PolarHBondContact O-N 2.9Å; I58-F213 HydrophobicContact CD1-CE1 4.27Å; I58-F213 HydrophobicContact CD1-CE2 3.7Å; I58-F213 HydrophobicContact CD1-CZ 3.42Å; I58-F213 VanDerWaalsContact CD1-CZ 3.42Å |
| 59 | L | 91.9 | Very high | 87.3 | Confident | 10 Ų | 10 | 28.9 Ų | 28.9 | 5% | 0.052 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 132.8 | -177.4 | -55.2 | 88.8 | 0 | 0 | 0 | 110.1 | L50 I51 T53 E57 V61 V68 K71 L248 L250 | L50-L59 CarbonylContact C-O 3.58Å; L50-L59 WeakPolarHBondContact CA-O 3.47Å; I51-L59 HydrophobicContact CB-CB 4.44Å; I51-L59 HydrophobicContact CB-CD1 4.44Å; I51-L59 PolarHBondContact N-O 2.95Å; I51-L59 PolarHBondContact O-N 3.3Å; T53-L59 HydrophobicContact CG2-CD1 3.95Å; E57-L59 HydrophobicContact CB-CD1 4.01Å; L59-V61 HydrophobicContact CB-CG2 3.99Å; L59-V68 HydrophobicContact CB-CG1 4.43Å; L59-V68 HydrophobicContact CD2-CG1 4.36Å; L59-V68 HydrophobicContact CD2-CG2 4.38Å; L59-K71 HydrophobicContact CB-CB 4.3Å; L59-K71 HydrophobicContact CD2-CB 4.38Å; L59-K71 HydrophobicContact CD2-CD 4.42Å; L59-K71 HydrophobicContact CG-CB 3.87Å; L59-L248 HydrophobicContact CD2-CD2 4.39Å; L59-L250 HydrophobicContact CD1-CD2 3.94Å; L59-L250 HydrophobicContact CD2-CD2 3.71Å; L59-L250 HydrophobicContact CG-CD2 4.49Å |
| 60 | C | 90.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 118.7 | 170 | -176.8 | 0 | 0 | 0 | 0 | 109.9 | L50 V68 R69 W70 | L50-C60 HydrophobicContact CD2-CB 3.82Å; C60-V68 CarbonylContact O-C 3.57Å; C60-V68 WeakPolarHBondContact O-CA 3.38Å; C60-R69 PolarHBondContact O-N 2.95Å; C60-W70 HydrophobicContact CB-CD2 3.4Å; C60-W70 HydrophobicContact CB-CE3 3.64Å; C60-W70 HydrophobicContact CB-CG 4.05Å; C60-W70 HydrophobicContact CB-CH2 3.77Å; C60-W70 HydrophobicContact CB-CZ2 3.53Å; C60-W70 HydrophobicContact CB-CZ3 3.81Å; C60-W70 PolarHBondContact N-O 3.03Å |
| 61 | V | 89.9 | Confident | 87.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 133.3 | -166.8 | -174.8 | 0 | 0 | 0 | 0 | 110.8 | Y48 I49 I51 L59 R63 G66 Y67 V68 W246 L248 | Y48-V61 WeakPolarHBondContact CA-O 3.33Å; I49-V61 HydrophobicContact CG1-CB 4.26Å; I49-V61 WeakPolarHBondContact CG1-O 3.35Å; I49-V61 PolarHBondContact N-O 3.38Å; I49-V61 PolarHBondContact O-N 3.29Å; I51-V61 HydrophobicContact CD1-CB 4.17Å; I51-V61 HydrophobicContact CD1-CG2 3.52Å; I51-V61 HydrophobicContact CG1-CG2 4.22Å; L59-V61 HydrophobicContact CB-CG2 3.99Å; V61-R63 PolarHBondContact O-N 3.02Å; V61-G66 WeakPolarHBondContact CG1-O 3.45Å; V61-Y67 CarbonylContact C-O 3.56Å; V61-Y67 WeakPolarHBondContact CA-O 3.43Å; V61-V68 HydrophobicContact CG2-CG2 4.05Å; V61-W246 HydrophobicContact CG1-CH2 4.04Å; V61-W246 HydrophobicContact CG1-CZ2 4.3Å; V61-L248 HydrophobicContact CG1-CD2 4.28Å; V61-L248 HydrophobicContact CG2-CD2 3.8Å |
| 62 | H | 87.4 | Confident | 87.1 | Confident | 40 Ų | 40 | 36.2 Ų | 36.2 | 19% | 0.185 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 117.8 | 176.9 | -178.8 | -106.9 | 0 | 0 | 0 | 110.8 | S47 Y48 R64 S65 G66 Y67 | S47-H62 CarbonylContact O-C 3.58Å; S47-H62 WeakPolarHBondContact O-CA 3.39Å; S47-H62 PolarHBondContact O-CD2 3.09Å; Y48-H62 HydrophobicContact CD1-CB 4.1Å; Y48-H62 HydrophobicContact CE1-CB 3.72Å; H62-R64 PolarHBondContact O-N 2.9Å; H62-S65 PolarHBondContact ND1-N 2.9Å; H62-S65 PolarHBondContact ND1-OG 3.47Å; H62-S65 PolarHBondContact O-N 3.29Å; H62-S65 VanDerWaalsContact O-N 3.08Å; H62-G66 PolarHBondContact O-N 2.98Å; H62-Y67 PolarHBondContact N-O 2.88Å |
| 63 | R | 84.4 | Confident | 86.8 | Confident | 60 Ų | 60 | 42 Ų | 42 | 23% | 0.226 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -33.5 | -164.9 | 70.4 | -176.1 | 173.2 | 141 | -9.2 | 114.5 | D46 S47 I49 V61 D225 L226 W246 | D46-R63 WeakPolarHBondContact O-CD 3.45Å; D46-R63 PolarHBondContact O-NE 2.93Å; S47-R63 WeakPolarHBondContact O-CG 3.35Å; S47-R63 PolarHBondContact O-N 2.84Å; I49-R63 HydrophobicContact CG2-CB 4.15Å; V61-R63 PolarHBondContact O-N 3.02Å; R63-D225 IonicContact NH1-OD1 3.98Å; R63-L226 HydrophobicContact CB-CD1 3.9Å; R63-L226 HydrophobicContact CG-CD1 3.95Å; R63-L226 WeakPolarHBondContact O-CD1 3.23Å; R63-W246 PolarHBondContact O-NE1 2.88Å |
| 64 | R | 84.1 | Confident | 86.3 | Confident | 107 Ų | 107 | 43.4 Ų | 43.4 | 40% | 0.404 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -0.2 | -177.4 | -85.6 | 178.4 | 169.9 | -114.1 | 1 | 115.2 | H62 D225 L226 E240 I245 | H62-R64 PolarHBondContact O-N 2.9Å; R64-D225 IonicContact CZ-OD2 2.78Å; R64-D225 VanDerWaalsContact CZ-OD2 3.28Å; R64-D225 IonicContact NE-OD2 2.87Å; R64-D225 PolarHBondContact NE-OD2 3.27Å; R64-D225 VanDerWaalsContact NE-OD2 3.14Å; R64-D225 IonicContact NH2-OD2 3.25Å; R64-D225 PolarHBondContact NH2-OD2 2.88Å; R64-L226 HydrophobicContact CG-CD1 4.06Å; R64-L226 HydrophobicContact CG-CD2 4.18Å; R64-E240 IonicContact CZ-OE1 3.99Å; R64-E240 IonicContact NH1-OE1 2.86Å; R64-E240 PolarHBondContact NH1-OE1 3.49Å; R64-E240 IonicContact NH2-OE1 3.8Å; R64-E240 PolarHBondContact NH2-OE1 3.4Å; R64-I245 VanDerWaalsContact O-CG2 3.28Å; R64-I245 WeakPolarHBondContact O-CG2 3.48Å |
| 65 | S | 82.5 | Confident | 86 | Confident | 64 Ų | 64 | 46.1 Ų | 46.1 | 45% | 0.448 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -136.5 | -3.8 | 178.6 | 68.6 | 0 | 0 | 0 | 0 | 116.1 | H62 Y67 | H62-S65 PolarHBondContact ND1-N 2.9Å; H62-S65 PolarHBondContact ND1-OG 3.47Å; H62-S65 PolarHBondContact O-N 3.29Å; H62-S65 VanDerWaalsContact O-N 3.08Å; S65-Y67 PolarHBondContact O-N 3.03Å |
| 66 | G | 81.8 | Confident | 86 | Confident | 12 Ų | 12 | 46.6 Ų | 46.6 | 12% | 0.124 | 24% | 0.235 | C | C | . | . | trans | 69.6 | 0.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | V61 H62 V68 W246 | V61-G66 WeakPolarHBondContact CG1-O 3.45Å; H62-G66 PolarHBondContact O-N 2.98Å; G66-V68 PolarHBondContact O-N 2.92Å; G66-W246 VanDerWaalsContact N-CD1 3.33Å | ||
| 67 | Y | 86 | Confident | 86 | Confident | 139 Ų | 139 | 46.6 Ų | 46.6 | 55% | 0.545 | 24% | 0.235 | S | C | . | . | trans | -63.9 | 115.7 | 179 | 175.7 | -96.4 | 0 | 0 | 0 | 110.7 | V61 H62 S65 R69 | V61-Y67 CarbonylContact C-O 3.56Å; V61-Y67 WeakPolarHBondContact CA-O 3.43Å; H62-Y67 PolarHBondContact N-O 2.88Å; S65-Y67 PolarHBondContact O-N 3.03Å; Y67-R69 HydrophobicContact CE1-CB 4.18Å; Y67-R69 PolarHBondContact O-N 3.41Å | ||
| 68 | V | 87.7 | Confident | 86.1 | Confident | 45 Ų | 45 | 45.8 Ų | 45.8 | 27% | 0.273 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 108.5 | 173.9 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | L59 C60 V61 G66 W70 L248 | L59-V68 HydrophobicContact CB-CG1 4.43Å; L59-V68 HydrophobicContact CD2-CG1 4.36Å; L59-V68 HydrophobicContact CD2-CG2 4.38Å; C60-V68 CarbonylContact O-C 3.57Å; C60-V68 WeakPolarHBondContact O-CA 3.38Å; V61-V68 HydrophobicContact CG2-CG2 4.05Å; G66-V68 PolarHBondContact O-N 2.92Å; V68-W70 WeakPolarHBondContact CG1-O 3.2Å; V68-L248 HydrophobicContact CG2-CD1 3.7Å; V68-L248 HydrophobicContact CG2-CD2 3.84Å; V68-L248 HydrophobicContact CG2-CG 4.45Å |
| 69 | R | 86.2 | Confident | 86 | Confident | 65 Ų | 65 | 47.9 Ų | 47.9 | 25% | 0.245 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | -44.8 | 175.3 | -179.1 | -171.4 | -87.5 | -159.5 | -8 | 111 | Y48 C60 Y67 M145 N146 | Y48-R69 HydrophobicContact CE1-CB 3.94Å; Y48-R69 VanDerWaalsContact CE2-NH2 3.34Å; Y48-R69 PolarHBondContact OH-NE 2.98Å; Y48-R69 PolarHBondContact OH-NH2 3.1Å; C60-R69 PolarHBondContact O-N 2.95Å; Y67-R69 HydrophobicContact CE1-CB 4.18Å; Y67-R69 PolarHBondContact O-N 3.41Å; R69-M145 VanDerWaalsContact CD-O 3.29Å; R69-M145 WeakPolarHBondContact CD-O 3.28Å; R69-M145 PolarHBondContact NH1-O 3Å; R69-N146 PolarHBondContact NH1-OD1 3.19Å |
| 70 | W | 89.2 | Confident | 85.7 | Confident | 18 Ų | 18 | 47.7 Ų | 47.7 | 7% | 0.068 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 163.6 | 176.3 | 49.6 | -108.8 | 0 | 0 | 0 | 111 | L50 I58 C60 V68 F72 V143 M145 G148 I185 | L50-W70 HydrophobicContact CD2-CH2 3.47Å; L50-W70 VanDerWaalsContact CD2-CH2 3.47Å; L50-W70 HydrophobicContact CD2-CZ2 4.09Å; L50-W70 HydrophobicContact CD2-CZ3 4.06Å; I58-W70 HydrophobicContact CG2-CZ3 4.36Å; C60-W70 HydrophobicContact CB-CD2 3.4Å; C60-W70 HydrophobicContact CB-CE3 3.64Å; C60-W70 HydrophobicContact CB-CG 4.05Å; C60-W70 HydrophobicContact CB-CH2 3.77Å; C60-W70 HydrophobicContact CB-CZ2 3.53Å; C60-W70 HydrophobicContact CB-CZ3 3.81Å; C60-W70 PolarHBondContact N-O 3.03Å; V68-W70 WeakPolarHBondContact CG1-O 3.2Å; W70-F72 HydrophobicContact CE3-CD1 4.05Å; W70-F72 HydrophobicContact CE3-CE1 4.48Å; W70-F72 HydrophobicContact CH2-CD1 4.48Å; W70-F72 HydrophobicContact CH2-CE1 4.14Å; W70-F72 AromaticContact CZ3-CD1 3.62Å; W70-F72 HydrophobicContact CZ3-CD1 3.62Å; W70-F72 AromaticContact CZ3-CE1 3.62Å; W70-F72 HydrophobicContact CZ3-CE1 3.62Å; W70-V143 HydrophobicContact CH2-CG1 4.16Å; W70-V143 HydrophobicContact CZ2-CG1 4.28Å; W70-M145 PolarHBondContact NE1-O 3.11Å; W70-G148 VanDerWaalsContact CD1-CA 3.49Å; W70-G148 VanDerWaalsContact CD1-N 3.28Å; W70-G148 VanDerWaalsContact CD2-CA 3.48Å; W70-I185 HydrophobicContact CZ2-CD1 4.2Å |
| 71 | K | 89.4 | Confident | 85.4 | Confident | 117 Ų | 117 | 50.9 Ų | 50.9 | 51% | 0.509 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 153.7 | 165.7 | 70.9 | 169.4 | -160.3 | 162.7 | 0 | 111 | E57 I58 L59 | E57-K71 IonicContact OE1-NZ 2.69Å; E57-K71 PolarHBondContact OE1-NZ 3.45Å; I58-K71 CarbonylContact O-C 3.59Å; I58-K71 WeakPolarHBondContact O-CA 3.3Å; I58-K71 WeakPolarHBondContact O-CB 3.46Å; L59-K71 HydrophobicContact CB-CB 4.3Å; L59-K71 HydrophobicContact CD2-CB 4.38Å; L59-K71 HydrophobicContact CD2-CD 4.42Å; L59-K71 HydrophobicContact CG-CB 3.87Å |
| 72 | F | 85 | Confident | 84.9 | Confident | 25 Ų | 25 | 52.5 Ų | 52.5 | 11% | 0.11 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 156.9 | 169.5 | 71.3 | -94.6 | 0 | 0 | 0 | 111.8 | I58 W70 V143 I150 L187 | I58-F72 HydrophobicContact CB-CD1 4.43Å; I58-F72 HydrophobicContact CB-CE1 4Å; I58-F72 HydrophobicContact CB-CE2 4.32Å; I58-F72 HydrophobicContact CB-CZ 3.95Å; I58-F72 HydrophobicContact CD1-CE2 4Å; I58-F72 HydrophobicContact CD1-CZ 3.75Å; I58-F72 HydrophobicContact CG1-CZ 4.35Å; I58-F72 HydrophobicContact CG2-CE1 3.98Å; I58-F72 HydrophobicContact CG2-CZ 4.16Å; I58-F72 PolarHBondContact N-O 2.86Å; I58-F72 PolarHBondContact O-N 2.9Å; W70-F72 HydrophobicContact CE3-CD1 4.05Å; W70-F72 HydrophobicContact CE3-CE1 4.48Å; W70-F72 HydrophobicContact CH2-CD1 4.48Å; W70-F72 HydrophobicContact CH2-CE1 4.14Å; W70-F72 AromaticContact CZ3-CD1 3.62Å; W70-F72 HydrophobicContact CZ3-CD1 3.62Å; W70-F72 AromaticContact CZ3-CE1 3.62Å; W70-F72 HydrophobicContact CZ3-CE1 3.62Å; F72-V143 HydrophobicContact CE1-CG1 4.2Å; F72-V143 HydrophobicContact CE1-CG2 4.16Å; F72-V143 HydrophobicContact CZ-CG2 4.25Å; F72-I150 HydrophobicContact CD2-CD1 3.97Å; F72-I150 HydrophobicContact CE2-CD1 4.29Å; F72-I150 HydrophobicContact CG-CD1 4.38Å; F72-L187 HydrophobicContact CE1-CD1 4.18Å; F72-L187 HydrophobicContact CZ-CD1 3.73Å |
| 73 | D | 82 | Confident | 84.1 | Confident | 127 Ų | 127 | 54.4 Ų | 54.4 | 68% | 0.679 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 111.8 | 177.6 | -64.9 | -22.1 | 0 | 0 | 0 | 109.8 | ||
| 74 | S | 80.8 | Confident | 83.2 | Confident | 28 Ų | 28 | 58 Ų | 58 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | trans | -89.7 | 166.8 | 165.7 | -157.4 | 0 | 0 | 0 | 0 | 110.6 | G56 S76 | G56-S74 WeakPolarHBondContact CA-O 3.48Å; G56-S74 WeakPolarHBondContact O-CA 3.46Å; G56-S74 VanDerWaalsContact O-CB 3.23Å; G56-S74 WeakPolarHBondContact O-CB 3.41Å; G56-S74 PolarHBondContact O-N 2.86Å; S74-S76 PolarHBondContact O-N 2.81Å | ||
| 75 | A | 81.2 | Confident | 82 | Confident | 58 Ų | 58 | 54.1 Ų | 54.1 | 48% | 0.479 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -68 | 128.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 76 | S | 83.6 | Confident | 81.1 | Confident | 40 Ų | 40 | 51.8 Ų | 51.8 | 28% | 0.28 | 29% | 0.287 | S | S | . | . | trans | -44.9 | 135.7 | -167.3 | -53.1 | 0 | 0 | 0 | 0 | 114.4 | G55 S74 L78 N211 | G55-S76 WeakPolarHBondContact O-CA 3.49Å; G55-S76 VanDerWaalsContact O-CB 3.27Å; G55-S76 WeakPolarHBondContact O-CB 3.16Å; G55-S76 PolarHBondContact O-OG 3.39Å; S74-S76 PolarHBondContact O-N 2.81Å; S76-L78 PolarHBondContact O-N 3.32Å; S76-N211 PolarHBondContact O-ND2 3.03Å | ||
| 77 | A | 84.7 | Confident | 80.7 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -62 | -29.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L54 Y210 N211 I255 | L54-A77 PolarHBondContact O-N 3.21Å; A77-Y210 CarbonylContact O-C 3.57Å; A77-Y210 WeakPolarHBondContact O-CA 3.48Å; A77-N211 PolarHBondContact O-N 3.01Å; A77-I255 HydrophobicContact CB-CD1 3.05Å |
| 78 | L | 89.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 139.3 | 170.2 | -172.6 | 65.4 | 0 | 0 | 0 | 109.3 | L54 S76 V90 P92 I208 T209 Y210 S347 T348 | L54-L78 HydrophobicContact CD1-CB 3.89Å; S76-L78 PolarHBondContact O-N 3.32Å; L78-V90 HydrophobicContact CD1-CB 4.04Å; L78-V90 HydrophobicContact CD1-CG1 4.02Å; L78-V90 HydrophobicContact CD1-CG2 4.17Å; L78-V90 HydrophobicContact CD2-CB 3.9Å; L78-V90 HydrophobicContact CD2-CG1 4.45Å; L78-P92 HydrophobicContact CB-CB 4.24Å; L78-P92 HydrophobicContact CD2-CB 4.24Å; L78-I208 HydrophobicContact CD1-CG2 3.65Å; L78-T209 WeakPolarHBondContact CA-O 3.42Å; L78-Y210 HydrophobicContact CD1-CD2 4.32Å; L78-S347 VanDerWaalsContact O-CB 3.28Å; L78-S347 WeakPolarHBondContact O-CB 3.43Å; L78-S347 PolarHBondContact O-OG 3.35Å; L78-T348 VanDerWaalsContact C-OG1 3.24Å; L78-T348 HydrophobicContact CD2-CG2 3.65Å; L78-T348 HydrophobicContact CG-CG2 3.89Å; L78-T348 WeakPolarHBondContact CG-OG1 3.34Å; L78-T348 PolarHBondContact O-OG1 3.01Å |
| 79 | S | 89.2 | Confident | 80 | Confident | 50 Ų | 50 | 44.7 Ų | 44.7 | 35% | 0.35 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 138 | 166.5 | 178.9 | 0 | 0 | 0 | 0 | 108.6 | I208 T209 S347 | S79-I208 CarbonylContact O-C 3.46Å; S79-I208 WeakPolarHBondContact O-CA 3.2Å; S79-T209 PolarHBondContact N-O 3.42Å; S79-T209 PolarHBondContact O-N 3.21Å; S79-S347 WeakPolarHBondContact CA-O 3.19Å; S79-S347 PolarHBondContact OG-O 3.19Å |
| 80 | A | 86 | Confident | 80.1 | Confident | 7 Ų | 7 | 41.6 Ų | 41.6 | 6% | 0.058 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 126.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y82 N207 I208 S347 T348 P349 | A80-Y82 HydrophobicContact CB-CD2 4.49Å; A80-Y82 HydrophobicContact CB-CE2 3.59Å; A80-N207 CarbonylContact C-O 3.57Å; A80-N207 WeakPolarHBondContact CA-O 3.18Å; A80-I208 HydrophobicContact CB-CG1 3.92Å; A80-S347 PolarHBondContact N-O 3.2Å; A80-T348 HydrophobicContact CB-CG2 3.89Å; A80-P349 WeakPolarHBondContact O-CD 3.39Å |
| 81 | S | 83.7 | Confident | 80 | Confident | 66 Ų | 66 | 41 Ų | 41 | 46% | 0.462 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 135.4 | 172.1 | 65.4 | 0 | 0 | 0 | 0 | 110.9 | L206 N207 | S81-L206 WeakPolarHBondContact O-CA 3.39Å; S81-N207 PolarHBondContact N-O 3.12Å; S81-N207 PolarHBondContact O-N 2.78Å |
| 82 | Y | 79.7 | Confident | 79.9 | Confident | 34 Ų | 34 | 35.6 Ų | 35.6 | 13% | 0.133 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 137.1 | -179.8 | -57.3 | -99.3 | 0 | 0 | 0 | 109.7 | A80 G85 P86 F87 L88 L206 P349 | A80-Y82 HydrophobicContact CB-CD2 4.49Å; A80-Y82 HydrophobicContact CB-CE2 3.59Å; Y82-G85 WeakPolarHBondContact CB-O 3.29Å; Y82-G85 WeakPolarHBondContact CD1-O 3.48Å; Y82-P86 HydrophobicContact CD1-CB 4.31Å; Y82-P86 HydrophobicContact CE1-CB 4.09Å; Y82-F87 HydrophobicContact CD1-CD1 4.44Å; Y82-F87 HydrophobicContact CD1-CE1 4.49Å; Y82-L88 VanDerWaalsContact CE1-O 3.32Å; Y82-L88 WeakPolarHBondContact CE1-O 3.41Å; Y82-L88 PolarHBondContact OH-O 2.91Å; Y82-L88 VanDerWaalsContact OH-O 3.11Å; Y82-L206 HydrophobicContact CD1-CD1 3.56Å; Y82-L206 HydrophobicContact CE1-CD1 3.28Å; Y82-L206 HydrophobicContact CE1-CD2 4.3Å; Y82-L206 HydrophobicContact CE1-CG 4.34Å; Y82-L206 HydrophobicContact CE2-CD1 4.29Å; Y82-L206 HydrophobicContact CG-CD1 4.17Å; Y82-P349 HydrophobicContact CD2-CG 3.6Å; Y82-P349 HydrophobicContact CE2-CG 3.66Å |
| 83 | D | 69.7 | Low | 79.9 | Confident | 81 Ų | 81 | 36.2 Ų | 36.2 | 43% | 0.433 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -75.5 | -57.6 | 179.1 | 175.9 | 59.7 | 0 | 0 | 0 | 111.2 | V204 R205 | D83-V204 WeakPolarHBondContact CB-O 3.34Å; D83-R205 PolarHBondContact N-O 2.94Å; D83-R205 VanDerWaalsContact N-O 3.11Å; D83-R205 WeakPolarHBondContact OD2-CD 3.26Å; D83-R205 IonicContact OD2-CZ 2.7Å; D83-R205 IonicContact OD2-NE 3.28Å; D83-R205 IonicContact OD2-NH1 3.07Å; D83-R205 PolarHBondContact OD2-NH1 3.29Å |
| 84 | N | 65.4 | Low | 79.9 | Confident | 134 Ų | 134 | 32.4 Ų | 32.4 | 72% | 0.717 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -110.6 | 40.4 | 175.6 | -78 | 4.7 | 0 | 0 | 0 | 112.2 | R205 | N84-R205 PolarHBondContact ND2-NH1 3.02Š|
| 85 | G | 58.7 | Low | 80.2 | Confident | 26 Ų | 26 | 31.1 Ų | 31.1 | 27% | 0.268 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 76.6 | 178.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y82 F87 | Y82-G85 WeakPolarHBondContact CB-O 3.29Å; Y82-G85 WeakPolarHBondContact CD1-O 3.48Å; G85-F87 PolarHBondContact O-N 3.42Å |
| 86 | P | 65 | Low | 80.4 | Confident | 15 Ų | 15 | 29.2 Ų | 29.2 | 10% | 0.097 | 18% | 0.179 | C | C | . | . | trans | -76.1 | 104 | -168.9 | 30.4 | -35.9 | 0 | 0 | 0 | 113.1 | Y82 Y100 V350 Y373 | Y82-P86 HydrophobicContact CD1-CB 4.31Å; Y82-P86 HydrophobicContact CE1-CB 4.09Å; P86-Y100 VanDerWaalsContact O-CE2 3.3Å; P86-Y100 WeakPolarHBondContact O-CE2 3.33Å; P86-V350 HydrophobicContact CB-CB 4.25Å; P86-V350 HydrophobicContact CB-CG2 4.07Å; P86-V350 HydrophobicContact CG-CB 4.44Å; P86-V350 HydrophobicContact CG-CG2 3.72Å; P86-Y373 HydrophobicContact CG-CD2 3.94Å; P86-Y373 HydrophobicContact CG-CE2 4.25Å; P86-Y373 WeakPolarHBondContact O-CE2 3.43Å | ||
| 87 | F | 72.9 | Confident | 80.4 | Confident | 46 Ų | 46 | 27.4 Ų | 27.4 | 20% | 0.202 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -97.4 | -27 | 169 | 64.8 | -84.1 | 0 | 0 | 0 | 112.9 | Y82 G85 F130 L196 R205 L206 | Y82-F87 HydrophobicContact CD1-CD1 4.44Å; Y82-F87 HydrophobicContact CD1-CE1 4.49Å; G85-F87 PolarHBondContact O-N 3.42Å; F87-F130 HydrophobicContact CD2-CE2 4.36Å; F87-F130 HydrophobicContact CE2-CD2 4.22Å; F87-F130 AromaticContact CE2-CE2 3.91Å; F87-F130 HydrophobicContact CE2-CE2 3.91Å; F87-F130 HydrophobicContact CE2-CZ 4.32Å; F87-L196 HydrophobicContact CE2-CD1 3.94Å; F87-L196 HydrophobicContact CZ-CD1 4.04Å; F87-R205 HydrophobicContact CE1-CB 3.9Å; F87-R205 HydrophobicContact CZ-CB 4.04Å; F87-L206 HydrophobicContact CE1-CB 3.9Å; F87-L206 HydrophobicContact CE1-CD2 4.47Å; F87-L206 HydrophobicContact CZ-CB 3.73Å; F87-L206 HydrophobicContact CZ-CD2 4.04Å |
| 88 | L | 79.8 | Confident | 80.2 | Confident | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 151.5 | 165.2 | -67.4 | 176.3 | 0 | 0 | 0 | 109.8 | Y82 Y98 E99 L112 Y127 L196 L206 | Y82-L88 VanDerWaalsContact CE1-O 3.32Å; Y82-L88 WeakPolarHBondContact CE1-O 3.41Å; Y82-L88 PolarHBondContact OH-O 2.91Å; Y82-L88 VanDerWaalsContact OH-O 3.11Å; L88-Y98 CarbonylContact C-O 3.28Å; L88-Y98 VanDerWaalsContact CA-O 3.32Å; L88-Y98 WeakPolarHBondContact CA-O 3.39Å; L88-E99 HydrophobicContact CD2-CB 3.66Å; L88-E99 HydrophobicContact CD2-CG 3.8Å; L88-L112 HydrophobicContact CD2-CD1 3.72Å; L88-Y127 HydrophobicContact CD1-CE1 4.17Å; L88-Y127 HydrophobicContact CD2-CE1 4.33Å; L88-L196 HydrophobicContact CD1-CD1 3.61Å; L88-L206 HydrophobicContact CB-CD2 4.01Å; L88-L206 HydrophobicContact CD1-CD2 3.92Å; L88-L206 HydrophobicContact CG-CD2 4.43Å |
| 89 | V | 79.7 | Confident | 79.5 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 139.8 | 176.2 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | L97 Y98 Y100 F109 V350 Y351 A352 | V89-L97 WeakPolarHBondContact O-CA 3.48Å; V89-Y98 PolarHBondContact N-O 3.01Å; V89-Y98 PolarHBondContact O-N 3.2Å; V89-Y100 HydrophobicContact CG2-CE2 4.39Å; V89-F109 HydrophobicContact CB-CE1 4.38Å; V89-F109 HydrophobicContact CG2-CE1 3.97Å; V89-F109 HydrophobicContact CG2-CZ 4.23Å; V89-V350 HydrophobicContact CG1-CG1 3.88Å; V89-V350 HydrophobicContact CG2-CB 4.41Å; V89-V350 HydrophobicContact CG2-CG1 3.81Å; V89-Y351 VanDerWaalsContact CG1-C 3.48Å; V89-A352 HydrophobicContact CG1-CB 3.85Å |
| 90 | V | 87.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 140.6 | -177.3 | -163.2 | 0 | 0 | 0 | 0 | 110.3 | L78 S96 L97 I208 A352 | L78-V90 HydrophobicContact CD1-CB 4.04Å; L78-V90 HydrophobicContact CD1-CG1 4.02Å; L78-V90 HydrophobicContact CD1-CG2 4.17Å; L78-V90 HydrophobicContact CD2-CB 3.9Å; L78-V90 HydrophobicContact CD2-CG1 4.45Å; V90-S96 WeakPolarHBondContact CA-O 3.42Å; V90-L97 HydrophobicContact CB-CD2 4.31Å; V90-L97 HydrophobicContact CG1-CD2 4.17Å; V90-L97 HydrophobicContact CG2-CD2 3.79Å; V90-I208 HydrophobicContact CG2-CD1 3.63Å; V90-I208 HydrophobicContact CG2-CG1 4.34Å; V90-I208 HydrophobicContact CG2-CG2 4.31Å; V90-A352 PolarHBondContact O-N 2.87Å |
| 91 | D | 87.8 | Confident | 76.7 | Confident | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | trans | -88.8 | 117.3 | 160.4 | 164.2 | 29 | 0 | 0 | 0 | 109.8 | V93 S94 G95 S96 Y98 A352 | D91-V93 VanDerWaalsContact C-N 3.26Å; D91-V93 PolarHBondContact O-N 3.35Å; D91-V93 WeakPolarHBondContact OD1-CB 3.49Å; D91-V93 PolarHBondContact OD1-N 3.07Å; D91-S94 VanDerWaalsContact OD2-CB 3.25Å; D91-S94 WeakPolarHBondContact OD2-CB 3.2Å; D91-S94 PolarHBondContact OD2-N 3.5Å; D91-S94 PolarHBondContact OD2-OG 3.42Å; D91-G95 WeakPolarHBondContact O-CA 2.86Å; D91-G95 PolarHBondContact O-N 3.36Å; D91-S96 PolarHBondContact N-O 3.41Å; D91-Y98 HydrophobicContact CB-CE2 3.97Å; D91-A352 WeakPolarHBondContact CA-O 3.36Å | ||
| 92 | P | 86.8 | Confident | 74.9 | Confident | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.032 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -4.8 | -179 | 34.3 | -36.1 | 0 | 0 | 0 | 114.2 | L54 L78 I255 A352 L353 | L54-P92 HydrophobicContact CD1-CB 3.59Å; L54-P92 HydrophobicContact CD1-CG 3.67Å; L78-P92 HydrophobicContact CB-CB 4.24Å; L78-P92 HydrophobicContact CD2-CB 4.24Å; P92-I255 HydrophobicContact CB-CG2 4.17Å; P92-I255 HydrophobicContact CG-CG2 3.89Å; P92-A352 WeakPolarHBondContact CD-O 3.35Å; P92-L353 HydrophobicContact CG-CD2 3.8Å |
| 93 | V | 84.1 | Confident | 73.1 | Confident | 38 Ų | 38 | 35 Ų | 35 | 23% | 0.23 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -33.2 | 178.4 | -176.6 | 0 | 0 | 0 | 0 | 112.2 | D91 I255 R301 L353 | D91-V93 VanDerWaalsContact C-N 3.26Å; D91-V93 PolarHBondContact O-N 3.35Å; D91-V93 WeakPolarHBondContact OD1-CB 3.49Å; D91-V93 PolarHBondContact OD1-N 3.07Å; V93-I255 HydrophobicContact CG2-CB 4.12Å; V93-I255 HydrophobicContact CG2-CG2 3.99Å; V93-R301 PolarHBondContact O-NH2 3.15Å; V93-L353 HydrophobicContact CG2-CD2 3.52Å |
| 94 | S | 82.8 | Confident | 71.6 | Confident | 47 Ų | 47 | 37.6 Ų | 37.6 | 33% | 0.329 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | -13.3 | 179.1 | 72.4 | 0 | 0 | 0 | 0 | 115 | D91 S96 M117 | D91-S94 VanDerWaalsContact OD2-CB 3.25Å; D91-S94 WeakPolarHBondContact OD2-CB 3.2Å; D91-S94 PolarHBondContact OD2-N 3.5Å; D91-S94 PolarHBondContact OD2-OG 3.42Å; S94-S96 PolarHBondContact O-N 3.2Å; S94-S96 VanDerWaalsContact OG-CB 3.25Å; S94-S96 WeakPolarHBondContact OG-CB 3.41Å; S94-S96 PolarHBondContact OG-N 3.15Å; S94-S96 VanDerWaalsContact OG-N 3.14Å; S94-S96 PolarHBondContact OG-OG 2.95Å; S94-M117 WeakPolarHBondContact O-CE 3.31Å |
| 95 | G | 86.1 | Confident | 70.2 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | 70.9 | 11.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D91 S115 I116 Y210 | D91-G95 WeakPolarHBondContact O-CA 2.86Å; D91-G95 PolarHBondContact O-N 3.36Å; G95-S115 CarbonylContact O-C 3.51Å; G95-S115 WeakPolarHBondContact O-CA 3.49Å; G95-S115 VanDerWaalsContact O-CB 3.28Å; G95-S115 WeakPolarHBondContact O-CB 3.4Å; G95-I116 PolarHBondContact O-N 3.45Å; G95-Y210 PolarHBondContact N-OH 3.4Å | ||
| 96 | S | 85.4 | Confident | 69.3 | Low | 19 Ų | 19 | 39.1 Ų | 39.1 | 13% | 0.133 | 23% | 0.233 | C | C | . | . | trans | -62.1 | 148.5 | 176.9 | -69.4 | 0 | 0 | 0 | 0 | 112.1 | V90 D91 S94 Q111 | V90-S96 WeakPolarHBondContact CA-O 3.42Å; D91-S96 PolarHBondContact N-O 3.41Å; S94-S96 PolarHBondContact O-N 3.2Å; S94-S96 VanDerWaalsContact OG-CB 3.25Å; S94-S96 WeakPolarHBondContact OG-CB 3.41Å; S94-S96 PolarHBondContact OG-N 3.15Å; S94-S96 VanDerWaalsContact OG-N 3.14Å; S94-S96 PolarHBondContact OG-OG 2.95Å; S96-Q111 PolarHBondContact OG-NE2 3.02Å | ||
| 97 | L | 85.4 | Confident | 68.4 | Low | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 140 | 177.2 | -63.5 | 177 | 0 | 0 | 0 | 110.9 | V89 V90 L112 I116 L194 | V89-L97 WeakPolarHBondContact O-CA 3.48Å; V90-L97 HydrophobicContact CB-CD2 4.31Å; V90-L97 HydrophobicContact CG1-CD2 4.17Å; V90-L97 HydrophobicContact CG2-CD2 3.79Å; L97-L112 HydrophobicContact CB-CB 4.29Å; L97-L112 HydrophobicContact CB-CD1 3.93Å; L97-L112 HydrophobicContact CB-CG 4.28Å; L97-L112 HydrophobicContact CD1-CD1 4.48Å; L97-L112 PolarHBondContact O-N 2.91Å; L97-I116 HydrophobicContact CD2-CB 4.4Å; L97-L194 HydrophobicContact CD1-CD2 4.45Å |
| 98 | Y | 79.1 | Confident | 67.4 | Low | 9 Ų | 9 | 41.3 Ų | 41.3 | 4% | 0.035 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 137.5 | 176.9 | -58.6 | -95.9 | 0 | 0 | 0 | 110 | L88 V89 D91 Q110 Q111 L340 A352 | L88-Y98 CarbonylContact C-O 3.28Å; L88-Y98 VanDerWaalsContact CA-O 3.32Å; L88-Y98 WeakPolarHBondContact CA-O 3.39Å; V89-Y98 PolarHBondContact N-O 3.01Å; V89-Y98 PolarHBondContact O-N 3.2Å; D91-Y98 HydrophobicContact CB-CE2 3.97Å; Y98-Q110 CarbonylContact C-O 3.59Å; Y98-Q110 WeakPolarHBondContact CA-O 3.49Å; Y98-Q111 HydrophobicContact CD1-CB 3.75Å; Y98-Q111 HydrophobicContact CD1-CG 4.08Å; Y98-Q111 HydrophobicContact CE1-CB 3.64Å; Y98-Q111 HydrophobicContact CE1-CG 3.7Å; Y98-L340 HydrophobicContact CD1-CD2 3.99Å; Y98-L340 HydrophobicContact CE1-CD1 4.21Å; Y98-L340 HydrophobicContact CE1-CD2 3.91Å; Y98-L340 HydrophobicContact CE2-CD1 4.33Å; Y98-L340 HydrophobicContact CG-CD2 4.41Å; Y98-A352 HydrophobicContact CD2-CB 4.27Å; Y98-A352 HydrophobicContact CE2-CB 4.36Å |
| 99 | E | 76.1 | Confident | 66.6 | Low | 22 Ų | 22 | 41.4 Ų | 41.4 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 149.7 | 178.5 | -165.2 | -167.8 | -163.3 | 0 | 0 | 111.1 | L88 F109 Q110 L112 Y127 K128 | L88-E99 HydrophobicContact CD2-CB 3.66Å; L88-E99 HydrophobicContact CD2-CG 3.8Å; E99-F109 CarbonylContact O-C 3.51Å; E99-F109 WeakPolarHBondContact O-CA 3.27Å; E99-Q110 PolarHBondContact N-O 3.49Å; E99-Q110 PolarHBondContact O-N 3.2Å; E99-L112 HydrophobicContact CB-CD2 4.02Å; E99-Y127 PolarHBondContact OE1-OH 3.26Å; E99-Y127 PolarHBondContact OE2-OH 3.45Å; E99-Y127 VanDerWaalsContact OE2-OH 3.07Å; E99-K128 WeakPolarHBondContact OE1-CE 3.16Å; E99-K128 IonicContact OE1-NZ 2.88Å; E99-K128 PolarHBondContact OE1-NZ 3.06Å; E99-K128 WeakPolarHBondContact OE2-CE 3.4Å; E99-K128 IonicContact OE2-NZ 3.75Å; E99-K128 PolarHBondContact OE2-NZ 3.46Å |
| 100 | Y | 65.4 | Low | 66 | Low | 44 Ų | 44 | 44.1 Ų | 44.1 | 17% | 0.173 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 119.3 | 164.9 | -67.2 | -87 | 0 | 0 | 0 | 111.1 | P86 V89 S102 F109 L366 Y373 | P86-Y100 VanDerWaalsContact O-CE2 3.3Å; P86-Y100 WeakPolarHBondContact O-CE2 3.33Å; V89-Y100 HydrophobicContact CG2-CE2 4.39Å; Y100-S102 PolarHBondContact O-N 3.5Å; Y100-F109 HydrophobicContact CD1-CE1 4.19Å; Y100-F109 HydrophobicContact CD1-CE2 4.14Å; Y100-F109 AromaticContact CD1-CZ 4Å; Y100-F109 HydrophobicContact CD1-CZ 4Å; Y100-F109 HydrophobicContact CD2-CE1 4.12Å; Y100-F109 HydrophobicContact CD2-CZ 4.34Å; Y100-F109 HydrophobicContact CE1-CD2 4.25Å; Y100-F109 AromaticContact CE1-CE1 3.97Å; Y100-F109 HydrophobicContact CE1-CE1 3.97Å; Y100-F109 AromaticContact CE1-CE2 3.49Å; Y100-F109 HydrophobicContact CE1-CE2 3.49Å; Y100-F109 VanDerWaalsContact CE1-CE2 3.49Å; Y100-F109 AromaticContact CE1-CZ 3.35Å; Y100-F109 HydrophobicContact CE1-CZ 3.35Å; Y100-F109 AromaticContact CE2-CE1 3.89Å; Y100-F109 HydrophobicContact CE2-CE1 3.89Å; Y100-F109 AromaticContact CE2-CZ 3.75Å; Y100-F109 HydrophobicContact CE2-CZ 3.75Å; Y100-F109 HydrophobicContact CG-CE1 4.28Å; Y100-F109 HydrophobicContact CG-CZ 4.46Å; Y100-F109 AromaticContact CZ-CE1 3.83Å; Y100-F109 AromaticContact CZ-CE2 3.83Å; Y100-F109 AromaticContact CZ-CZ 3.21Å; Y100-F109 WeakPolarHBondContact OH-CZ 3.47Å; Y100-L366 HydrophobicContact CE1-CD2 4.32Å; Y100-Y373 HydrophobicContact CD1-CE1 4.25Å; Y100-Y373 HydrophobicContact CD2-CE1 4.46Å; Y100-Y373 AromaticContact CD2-CZ 3.96Å; Y100-Y373 WeakPolarHBondContact CD2-OH 3.46Å; Y100-Y373 AromaticContact CE1-CE1 3.6Å; Y100-Y373 HydrophobicContact CE1-CE1 3.6Å; Y100-Y373 AromaticContact CE2-CE1 3.85Å; Y100-Y373 HydrophobicContact CE2-CE1 3.85Å; Y100-Y373 HydrophobicContact CE2-CE2 4.38Å; Y100-Y373 AromaticContact CE2-CZ 3.61Å; Y100-Y373 WeakPolarHBondContact CE2-OH 3.36Å; Y100-Y373 AromaticContact CZ-CE1 3.36Å; Y100-Y373 AromaticContact CZ-CZ 3.66Å; Y100-Y373 WeakPolarHBondContact OH-CE1 3.44Å |
| 101 | A | 50.7 | Low | 65.3 | Low | 30 Ų | 30 | 47.2 Ų | 47.2 | 25% | 0.248 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 125.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L108 | A101-L108 HydrophobicContact CB-CB 3.97Å; A101-L108 WeakPolarHBondContact CB-O 3.3Å; A101-L108 PolarHBondContact N-O 2.92Å |
| 102 | S | 46 | Very low | 64.9 | Low | 93 Ų | 93 | 48 Ų | 48 | 65% | 0.65 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -87.5 | 147.1 | -168.9 | 64.6 | 0 | 0 | 0 | 0 | 115.4 | Y100 V104 | Y100-S102 PolarHBondContact O-N 3.5Å; S102-V104 VanDerWaalsContact C-N 3.29Å; S102-V104 PolarHBondContact O-N 3.02Å |
| 103 | S | 40.6 | Very low | 64.3 | Low | 118 Ų | 118 | 54.6 Ų | 54.6 | 83% | 0.825 | 31% | 0.309 | S | S | * | . | S | Bend | trans | 56.9 | -17.5 | 152.9 | 58.4 | 0 | 0 | 0 | 0 | 122.1 | ||
| 104 | V | 39.4 | Very low | 64.2 | Low | 137 Ų | 137 | 55.5 Ų | 55.5 | 83% | 0.83 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -120.4 | 2.9 | -179.2 | -161.3 | 0 | 0 | 0 | 0 | 113.2 | S102 | S102-V104 VanDerWaalsContact C-N 3.29Å; S102-V104 PolarHBondContact O-N 3.02Å |
| 105 | S | 36.2 | Very low | 64.4 | Low | 31 Ų | 31 | 54.9 Ų | 54.9 | 22% | 0.217 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -159.2 | 119.4 | 169.1 | 52.5 | 0 | 0 | 0 | 0 | 109.3 | L108 | S105-L108 WeakPolarHBondContact OG-CD1 3.46Š|
| 106 | E | 39.6 | Very low | 64.5 | Low | 160 Ų | 160 | 54.9 Ų | 54.9 | 75% | 0.748 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 147.7 | 179.6 | -49.9 | -172.9 | 132 | 0 | 0 | 111.7 | L108 | E106-L108 PolarHBondContact O-N 3.39Š|
| 107 | F | 44.8 | Very low | 64.7 | Low | 80 Ų | 80 | 56.7 Ų | 56.7 | 35% | 0.351 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 38 | 167.3 | -40.4 | -68.4 | 0 | 0 | 0 | 117.7 | L366 | F107-L366 VanDerWaalsContact CD1-O 3.26Å; F107-L366 WeakPolarHBondContact CD1-O 3.43Å; F107-L366 WeakPolarHBondContact CE1-O 3.33Å |
| 108 | L | 52.5 | Low | 64.7 | Low | 27 Ų | 27 | 57.6 Ų | 57.6 | 14% | 0.141 | 32% | 0.322 | C | S | . | . | trans | -110.4 | 117.2 | 172.7 | -91.4 | 134.8 | 0 | 0 | 0 | 112.6 | A101 S105 E106 R452 L453 | A101-L108 HydrophobicContact CB-CB 3.97Å; A101-L108 WeakPolarHBondContact CB-O 3.3Å; A101-L108 PolarHBondContact N-O 2.92Å; S105-L108 WeakPolarHBondContact OG-CD1 3.46Å; E106-L108 PolarHBondContact O-N 3.39Å; L108-R452 HydrophobicContact CD2-CB 3.63Å; L108-R452 HydrophobicContact CD2-CG 3.86Å; L108-L453 WeakPolarHBondContact CD2-O 3.44Å; L108-L453 WeakPolarHBondContact CG-O 3.21Å | ||
| 109 | F | 62.4 | Low | 65.1 | Low | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.018 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 151.8 | 155.5 | -91.5 | -78.3 | 0 | 0 | 0 | 109.9 | V89 E99 Y100 I342 Y422 L453 | V89-F109 HydrophobicContact CB-CE1 4.38Å; V89-F109 HydrophobicContact CG2-CE1 3.97Å; V89-F109 HydrophobicContact CG2-CZ 4.23Å; E99-F109 CarbonylContact O-C 3.51Å; E99-F109 WeakPolarHBondContact O-CA 3.27Å; Y100-F109 HydrophobicContact CD1-CE1 4.19Å; Y100-F109 HydrophobicContact CD1-CE2 4.14Å; Y100-F109 AromaticContact CD1-CZ 4Å; Y100-F109 HydrophobicContact CD1-CZ 4Å; Y100-F109 HydrophobicContact CD2-CE1 4.12Å; Y100-F109 HydrophobicContact CD2-CZ 4.34Å; Y100-F109 HydrophobicContact CE1-CD2 4.25Å; Y100-F109 AromaticContact CE1-CE1 3.97Å; Y100-F109 HydrophobicContact CE1-CE1 3.97Å; Y100-F109 AromaticContact CE1-CE2 3.49Å; Y100-F109 HydrophobicContact CE1-CE2 3.49Å; Y100-F109 VanDerWaalsContact CE1-CE2 3.49Å; Y100-F109 AromaticContact CE1-CZ 3.35Å; Y100-F109 HydrophobicContact CE1-CZ 3.35Å; Y100-F109 AromaticContact CE2-CE1 3.89Å; Y100-F109 HydrophobicContact CE2-CE1 3.89Å; Y100-F109 AromaticContact CE2-CZ 3.75Å; Y100-F109 HydrophobicContact CE2-CZ 3.75Å; Y100-F109 HydrophobicContact CG-CE1 4.28Å; Y100-F109 HydrophobicContact CG-CZ 4.46Å; Y100-F109 AromaticContact CZ-CE1 3.83Å; Y100-F109 AromaticContact CZ-CE2 3.83Å; Y100-F109 AromaticContact CZ-CZ 3.21Å; Y100-F109 WeakPolarHBondContact OH-CZ 3.47Å; F109-I342 HydrophobicContact CD2-CD1 4.09Å; F109-I342 HydrophobicContact CE1-CD1 4.48Å; F109-I342 HydrophobicContact CE2-CD1 3.25Å; F109-I342 HydrophobicContact CZ-CD1 3.48Å; F109-I342 VanDerWaalsContact CZ-CD1 3.48Å; F109-Y422 HydrophobicContact CD2-CE1 4.34Å; F109-Y422 HydrophobicContact CE2-CE2 4.39Å; F109-L453 HydrophobicContact CB-CD1 3.72Å |
| 110 | Q | 67.4 | Low | 65.7 | Low | 58 Ų | 58 | 57.6 Ų | 57.6 | 27% | 0.271 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 124.9 | 171.1 | 175.3 | 173.9 | -17.3 | 0 | 0 | 109.2 | Y98 E99 | Y98-Q110 CarbonylContact C-O 3.59Å; Y98-Q110 WeakPolarHBondContact CA-O 3.49Å; E99-Q110 PolarHBondContact N-O 3.49Å; E99-Q110 PolarHBondContact O-N 3.2Å |
| 111 | Q | 73.9 | Confident | 66.7 | Low | 64 Ų | 64 | 66.5 Ų | 66.5 | 30% | 0.299 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 136.3 | 167 | -168 | 177.2 | 5 | 0 | 0 | 109.1 | S96 Y98 | S96-Q111 PolarHBondContact OG-NE2 3.02Å; Y98-Q111 HydrophobicContact CD1-CB 3.75Å; Y98-Q111 HydrophobicContact CD1-CG 4.08Å; Y98-Q111 HydrophobicContact CE1-CB 3.64Å; Y98-Q111 HydrophobicContact CE1-CG 3.7Å |
| 112 | L | 78.5 | Confident | 68.3 | Low | 20 Ų | 20 | 72.2 Ų | 72.2 | 11% | 0.105 | 37% | 0.372 | C | S | . | . | trans | -84.4 | 151.3 | 176.4 | -58.9 | -174.1 | 0 | 0 | 0 | 111 | L88 L97 E99 H114 Y127 | L88-L112 HydrophobicContact CD2-CD1 3.72Å; L97-L112 HydrophobicContact CB-CB 4.29Å; L97-L112 HydrophobicContact CB-CD1 3.93Å; L97-L112 HydrophobicContact CB-CG 4.28Å; L97-L112 HydrophobicContact CD1-CD1 4.48Å; L97-L112 PolarHBondContact O-N 2.91Å; E99-L112 HydrophobicContact CB-CD2 4.02Å; L112-H114 PolarHBondContact O-N 3.29Å; L112-Y127 HydrophobicContact CD1-CE2 3.7Å; L112-Y127 WeakPolarHBondContact CD1-OH 3.09Å; L112-Y127 HydrophobicContact CD2-CE2 4.24Å; L112-Y127 WeakPolarHBondContact CD2-OH 3.47Å | ||
| 113 | D | 74.9 | Confident | 70.2 | Confident | 145 Ų | 145 | 69.5 Ų | 69.5 | 78% | 0.775 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -65.1 | -10.1 | -179.3 | -49 | -51 | 0 | 0 | 0 | 113.2 | ||
| 114 | H | 80.6 | Confident | 72.5 | Confident | 57 Ų | 57 | 66.3 Ų | 66.3 | 26% | 0.264 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -132.6 | 127.8 | -175.2 | -53.6 | -28.6 | 0 | 0 | 0 | 111.1 | L112 R122 | L112-H114 PolarHBondContact O-N 3.29Å; H114-R122 PolarHBondContact CD2-NH1 2.94Å; H114-R122 PolarHBondContact CE1-NH1 3.26Å; H114-R122 PolarHBondContact CE1-NH2 3.39Å; H114-R122 VanDerWaalsContact CE1-NH2 3.28Å; H114-R122 PolarHBondContact NE2-NH1 3.49Å |
| 115 | S | 88.4 | Confident | 74.7 | Confident | 34 Ų | 34 | 61.2 Ų | 61.2 | 24% | 0.238 | 30% | 0.302 | C | S | . | . | trans | -67.6 | 170.1 | 167.6 | 62 | 0 | 0 | 0 | 0 | 111.5 | G95 M117 G118 H119 | G95-S115 CarbonylContact O-C 3.51Å; G95-S115 WeakPolarHBondContact O-CA 3.49Å; G95-S115 VanDerWaalsContact O-CB 3.28Å; G95-S115 WeakPolarHBondContact O-CB 3.4Å; S115-M117 PolarHBondContact O-N 3.33Å; S115-G118 WeakPolarHBondContact O-CA 3.23Å; S115-G118 PolarHBondContact O-N 3.27Å; S115-G118 PolarHBondContact OG-N 2.85Å; S115-H119 PolarHBondContact O-N 2.9Å | ||
| 116 | I | 88.2 | Confident | 76.9 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.7 | -37.7 | 174.4 | -157.9 | 175.1 | 0 | 0 | 0 | 111.8 | G95 L97 H119 V120 L194 I208 Y210 | G95-I116 PolarHBondContact O-N 3.45Å; L97-I116 HydrophobicContact CD2-CB 4.4Å; I116-H119 PolarHBondContact O-N 2.89Å; I116-V120 WeakPolarHBondContact O-CG2 3.43Å; I116-V120 PolarHBondContact O-N 2.67Å; I116-L194 HydrophobicContact CD1-CB 4.07Å; I116-L194 HydrophobicContact CD1-CD2 4.48Å; I116-L194 HydrophobicContact CG1-CB 3.82Å; I116-L194 HydrophobicContact CG1-CD2 3.69Å; I116-L194 HydrophobicContact CG1-CG 4.39Å; I116-I208 HydrophobicContact CD1-CB 3.84Å; I116-I208 HydrophobicContact CD1-CD1 4.13Å; I116-I208 HydrophobicContact CD1-CG2 3.38Å; I116-Y210 HydrophobicContact CG2-CD1 3.47Å; I116-Y210 VanDerWaalsContact CG2-CD1 3.47Å; I116-Y210 HydrophobicContact CG2-CE1 4.05Å; I116-Y210 HydrophobicContact CG2-CG 3.94Å |
| 117 | M | 89.2 | Confident | 78.9 | Confident | 57 Ų | 57 | 61 Ų | 61 | 28% | 0.281 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 174.5 | -60.7 | 177 | -80.3 | 0 | 0 | 111.7 | S94 S115 R121 Y192 Y210 | S94-M117 WeakPolarHBondContact O-CE 3.31Å; S115-M117 PolarHBondContact O-N 3.33Å; M117-R121 VanDerWaalsContact O-CB 3.25Å; M117-R121 WeakPolarHBondContact O-CB 3.33Å; M117-R121 PolarHBondContact O-N 2.96Å; M117-Y192 HydrophobicContact CB-CE1 4.27Å; M117-Y192 HydrophobicContact CG-CD1 4.17Å; M117-Y192 HydrophobicContact CG-CD2 3.91Å; M117-Y192 HydrophobicContact CG-CE1 3.96Å; M117-Y192 HydrophobicContact CG-CE2 3.68Å; M117-Y192 HydrophobicContact CG-CG 4.15Å; M117-Y192 HydrophobicContact SD-CE2 3.86Å; M117-Y210 HydrophobicContact CE-CE1 4.49Å; M117-Y210 HydrophobicContact CG-CE1 4.42Å; M117-Y210 HydrophobicContact SD-CE1 4.38Å |
| 118 | G | 85.8 | Confident | 80.7 | Confident | 19 Ų | 19 | 63.2 Ų | 63.2 | 20% | 0.196 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.2 | -38.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S115 R122 | S115-G118 WeakPolarHBondContact O-CA 3.23Å; S115-G118 PolarHBondContact O-N 3.27Å; S115-G118 PolarHBondContact OG-N 2.85Å; G118-R122 WeakPolarHBondContact O-CG 3.49Å; G118-R122 PolarHBondContact O-N 3.06Å |
| 119 | H | 86.2 | Confident | 82.2 | Confident | 17 Ų | 17 | 65.6 Ų | 65.6 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.4 | -45.1 | 173.7 | -87.9 | -86 | 0 | 0 | 0 | 112.6 | S115 I116 R121 R122 S123 Y127 L194 | S115-H119 PolarHBondContact O-N 2.9Å; I116-H119 PolarHBondContact O-N 2.89Å; H119-R121 PolarHBondContact O-N 3.13Å; H119-R122 PolarHBondContact O-N 3.31Å; H119-S123 PolarHBondContact O-N 3.27Å; H119-Y127 AromaticContact CE1-CD2 3.81Å; H119-L194 HydrophobicContact CB-CD1 3.92Å; H119-L194 HydrophobicContact CB-CD2 3.8Å |
| 120 | V | 89.3 | Confident | 83.2 | Confident | 15 Ų | 15 | 67.1 Ų | 67.1 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.6 | -44 | 175.7 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | I116 R122 S123 Y192 N193 L194 | I116-V120 WeakPolarHBondContact O-CG2 3.43Å; I116-V120 PolarHBondContact O-N 2.67Å; V120-R122 PolarHBondContact O-N 2.74Å; V120-S123 VanDerWaalsContact O-CB 3.26Å; V120-S123 WeakPolarHBondContact O-CB 3.24Å; V120-S123 PolarHBondContact O-N 2.99Å; V120-Y192 HydrophobicContact CB-CD1 4.2Å; V120-Y192 HydrophobicContact CG1-CD1 4.1Å; V120-Y192 HydrophobicContact CG2-CD1 4.38Å; V120-N193 WeakPolarHBondContact CG2-O 3.5Å; V120-L194 HydrophobicContact CG2-CB 4.21Å; V120-L194 HydrophobicContact CG2-CD1 4.34Å |
| 121 | R | 87.2 | Confident | 84.2 | Confident | 230 Ų | 230 | 66.5 Ų | 66.5 | 87% | 0.868 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.7 | -20.9 | 178.5 | -174 | 170.2 | -176.1 | 152.4 | 4.2 | 114 | M117 H119 | M117-R121 VanDerWaalsContact O-CB 3.25Å; M117-R121 WeakPolarHBondContact O-CB 3.33Å; M117-R121 PolarHBondContact O-N 2.96Å; H119-R121 PolarHBondContact O-N 3.13Å |
| 122 | R | 83.5 | Confident | 85 | Confident | 150 Ų | 150 | 63.5 Ų | 63.5 | 57% | 0.566 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 1.2 | 176.1 | -68.5 | -179 | -179 | -171.9 | 7.9 | 113.6 | H114 G118 H119 V120 P124 A125 | H114-R122 PolarHBondContact CD2-NH1 2.94Å; H114-R122 PolarHBondContact CE1-NH1 3.26Å; H114-R122 PolarHBondContact CE1-NH2 3.39Å; H114-R122 VanDerWaalsContact CE1-NH2 3.28Å; H114-R122 PolarHBondContact NE2-NH1 3.49Å; G118-R122 WeakPolarHBondContact O-CG 3.49Å; G118-R122 PolarHBondContact O-N 3.06Å; H119-R122 PolarHBondContact O-N 3.31Å; V120-R122 PolarHBondContact O-N 2.74Å; R122-P124 CarbonylContact O-C 3.55Å; R122-A125 HydrophobicContact CB-CB 4.29Å; R122-A125 WeakPolarHBondContact O-CB 3.3Å |
| 123 | S | 86.6 | Confident | 85.6 | Confident | 37 Ų | 37 | 65.4 Ų | 65.4 | 26% | 0.259 | 31% | 0.314 | S | S | . | . | trans | -69.3 | 138.6 | -176.4 | 175 | 0 | 0 | 0 | 0 | 112.1 | H119 V120 S132 L133 G134 | H119-S123 PolarHBondContact O-N 3.27Å; V120-S123 VanDerWaalsContact O-CB 3.26Å; V120-S123 WeakPolarHBondContact O-CB 3.24Å; V120-S123 PolarHBondContact O-N 2.99Å; S123-S132 PolarHBondContact OG-O 3.05Å; S123-L133 WeakPolarHBondContact OG-CA 3.39Å; S123-G134 PolarHBondContact OG-N 3.04Å | ||
| 124 | P | 88.2 | Confident | 86.3 | Confident | 51 Ų | 51 | 59.9 Ų | 59.9 | 33% | 0.331 | 29% | 0.291 | S | S | . | . | S | Bend | cis | -79.4 | 133.2 | -5.2 | 31.8 | -33.4 | 0 | 0 | 0 | 112.3 | R122 L131 L133 H649 | R122-P124 CarbonylContact O-C 3.55Å; P124-L131 HydrophobicContact CB-CD1 4.35Å; P124-L133 HydrophobicContact CB-CD2 3.99Å; P124-H649 VanDerWaalsContact CD-NE2 3.28Å; P124-H649 WeakPolarHBondContact CD-NE2 3.14Å; P124-H649 WeakPolarHBondContact CG-NE2 3.25Å |
| 125 | A | 85.2 | Confident | 86.8 | Confident | 29 Ų | 29 | 59.6 Ų | 59.6 | 24% | 0.24 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 165.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R122 S132 | R122-A125 HydrophobicContact CB-CB 4.29Å; R122-A125 WeakPolarHBondContact O-CB 3.3Å; A125-S132 PolarHBondContact N-O 2.94Å; A125-S132 PolarHBondContact O-N 3.03Å; A125-S132 PolarHBondContact O-OG 2.91Å; A125-S132 VanDerWaalsContact O-OG 3.06Å |
| 126 | Y | 83.5 | Confident | 86.9 | Confident | 162 Ų | 162 | 62.6 Ų | 62.6 | 64% | 0.635 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 132.7 | 170.5 | -74.2 | -75.5 | 0 | 0 | 0 | 111.5 | F130 L131 R199 | Y126-F130 CarbonylContact C-O 3.54Å; Y126-F130 WeakPolarHBondContact CA-O 3.31Å; Y126-L131 HydrophobicContact CD1-CB 4.31Å; Y126-L131 HydrophobicContact CD1-CD1 4.34Å; Y126-L131 HydrophobicContact CE1-CB 3.97Å; Y126-L131 HydrophobicContact CE1-CD1 3.98Å; Y126-L131 HydrophobicContact CE2-CD1 4.41Å; Y126-R199 HydrophobicContact CE1-CB 4.37Å |
| 127 | Y | 81.7 | Confident | 86.9 | Confident | 26 Ų | 26 | 63.7 Ų | 63.7 | 10% | 0.102 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 104.1 | 168.3 | 174.3 | -103.9 | 0 | 0 | 0 | 108.5 | L88 E99 L112 H119 N129 F130 L196 | L88-Y127 HydrophobicContact CD1-CE1 4.17Å; L88-Y127 HydrophobicContact CD2-CE1 4.33Å; E99-Y127 PolarHBondContact OE1-OH 3.26Å; E99-Y127 PolarHBondContact OE2-OH 3.45Å; E99-Y127 VanDerWaalsContact OE2-OH 3.07Å; L112-Y127 HydrophobicContact CD1-CE2 3.7Å; L112-Y127 WeakPolarHBondContact CD1-OH 3.09Å; L112-Y127 HydrophobicContact CD2-CE2 4.24Å; L112-Y127 WeakPolarHBondContact CD2-OH 3.47Å; H119-Y127 AromaticContact CE1-CD2 3.81Å; Y127-N129 PolarHBondContact O-N 3.05Å; Y127-F130 HydrophobicContact CD1-CD2 4.13Å; Y127-F130 PolarHBondContact N-O 3.21Å; Y127-F130 PolarHBondContact O-N 3.47Å; Y127-L196 HydrophobicContact CD1-CD1 4.29Å |
| 128 | K | 82.6 | Confident | 86.7 | Confident | 126 Ų | 126 | 62.5 Ų | 62.5 | 55% | 0.548 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | -108.6 | -170.8 | -56.7 | -175 | -177.6 | -177.4 | 0 | 111.8 | E99 | E99-K128 WeakPolarHBondContact OE1-CE 3.16Å; E99-K128 IonicContact OE1-NZ 2.88Å; E99-K128 PolarHBondContact OE1-NZ 3.06Å; E99-K128 WeakPolarHBondContact OE2-CE 3.4Å; E99-K128 IonicContact OE2-NZ 3.75Å; E99-K128 PolarHBondContact OE2-NZ 3.46Å |
| 129 | N | 82.2 | Confident | 86.4 | Confident | 76 Ų | 76 | 64.1 Ų | 64.1 | 41% | 0.406 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 13.8 | 177.9 | -75.4 | -30.5 | 0 | 0 | 0 | 113.4 | Y127 R199 F200 | Y127-N129 PolarHBondContact O-N 3.05Å; N129-R199 HydrophobicContact CB-CG 4.25Å; N129-R199 VanDerWaalsContact O-CB 3.26Å; N129-R199 WeakPolarHBondContact O-CB 3.27Å; N129-R199 WeakPolarHBondContact O-CG 3.49Å; N129-R199 PolarHBondContact O-N 2.98Å; N129-R199 WeakPolarHBondContact OD1-CD 3.37Å; N129-R199 PolarHBondContact OD1-NH1 3.01Å; N129-F200 HydrophobicContact CB-CE2 4.45Å |
| 130 | F | 85.2 | Confident | 86.1 | Confident | 36 Ų | 36 | 67.7 Ų | 67.7 | 16% | 0.158 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 136.3 | -179.8 | -49.7 | -69.2 | 0 | 0 | 0 | 111.6 | F87 Y126 Y127 L196 R197 D198 R205 | F87-F130 HydrophobicContact CD2-CE2 4.36Å; F87-F130 HydrophobicContact CE2-CD2 4.22Å; F87-F130 AromaticContact CE2-CE2 3.91Å; F87-F130 HydrophobicContact CE2-CE2 3.91Å; F87-F130 HydrophobicContact CE2-CZ 4.32Å; Y126-F130 CarbonylContact C-O 3.54Å; Y126-F130 WeakPolarHBondContact CA-O 3.31Å; Y127-F130 HydrophobicContact CD1-CD2 4.13Å; Y127-F130 PolarHBondContact N-O 3.21Å; Y127-F130 PolarHBondContact O-N 3.47Å; F130-L196 HydrophobicContact CB-CB 4.05Å; F130-L196 HydrophobicContact CB-CD1 4.49Å; F130-R197 CarbonylContact C-O 3.5Å; F130-R197 WeakPolarHBondContact CA-O 3.29Å; F130-D198 HydrophobicContact CD1-CB 4.36Å; F130-D198 HydrophobicContact CE1-CB 4.43Å; F130-R205 HydrophobicContact CD1-CG 4.21Å; F130-R205 HydrophobicContact CE1-CB 4.33Å; F130-R205 HydrophobicContact CE1-CG 3.87Å |
| 131 | L | 88.3 | Confident | 85.7 | Confident | 46 Ų | 46 | 68 Ų | 68 | 24% | 0.241 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 116.9 | 166.8 | 179.3 | 66.9 | 0 | 0 | 0 | 108.3 | P124 Y126 L133 L196 R197 | P124-L131 HydrophobicContact CB-CD1 4.35Å; Y126-L131 HydrophobicContact CD1-CB 4.31Å; Y126-L131 HydrophobicContact CD1-CD1 4.34Å; Y126-L131 HydrophobicContact CE1-CB 3.97Å; Y126-L131 HydrophobicContact CE1-CD1 3.98Å; Y126-L131 HydrophobicContact CE2-CD1 4.41Å; L131-L133 HydrophobicContact CD2-CD2 4.01Å; L131-L133 HydrophobicContact CD2-CG 4.3Å; L131-L133 HydrophobicContact CG-CD2 4.02Å; L131-L133 HydrophobicContact CG-CG 4.22Å; L131-L196 WeakPolarHBondContact O-CA 3.34Å; L131-R197 PolarHBondContact N-O 2.81Å; L131-R197 PolarHBondContact O-N 3.29Å |
| 132 | S | 89.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 107.7 | 176.5 | 66.1 | 0 | 0 | 0 | 0 | 110.7 | S123 A125 | S123-S132 PolarHBondContact OG-O 3.05Å; A125-S132 PolarHBondContact N-O 2.94Å; A125-S132 PolarHBondContact O-N 3.03Å; A125-S132 PolarHBondContact O-OG 2.91Å; A125-S132 VanDerWaalsContact O-OG 3.06Å |
| 133 | L | 90.3 | Very high | 85.3 | Confident | 61 Ų | 61 | 50.1 Ų | 50.1 | 32% | 0.319 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 136.1 | 173.3 | -58.6 | 176.8 | 0 | 0 | 0 | 108.8 | S123 P124 L131 V195 | S123-L133 WeakPolarHBondContact OG-CA 3.39Å; P124-L133 HydrophobicContact CB-CD2 3.99Å; L131-L133 HydrophobicContact CD2-CD2 4.01Å; L131-L133 HydrophobicContact CD2-CG 4.3Å; L131-L133 HydrophobicContact CG-CD2 4.02Å; L131-L133 HydrophobicContact CG-CG 4.22Å; L133-V195 HydrophobicContact CB-CB 4.43Å; L133-V195 PolarHBondContact N-O 3.22Å; L133-V195 PolarHBondContact O-N 3.15Å |
| 134 | G | 90.6 | Very high | 85 | Confident | 28 Ų | 28 | 49 Ų | 49 | 29% | 0.289 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 159.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S123 N193 | S123-G134 PolarHBondContact OG-N 3.04Å; G134-N193 CarbonylContact C-O 3.48Å; G134-N193 WeakPolarHBondContact CA-O 3.39Å |
| 135 | S | 90.7 | Very high | 84.5 | Confident | 51 Ų | 51 | 46.5 Ų | 46.5 | 36% | 0.357 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 147.6 | 176.8 | 63.9 | 0 | 0 | 0 | 0 | 111.9 | Y192 N193 | S135-Y192 WeakPolarHBondContact O-CA 3.38Å; S135-N193 PolarHBondContact N-O 3.43Å; S135-N193 PolarHBondContact O-N 3.5Å; S135-N193 PolarHBondContact OG-ND2 3.38Å |
| 136 | K | 91.8 | Very high | 84.1 | Confident | 98 Ų | 98 | 48.4 Ų | 48.4 | 43% | 0.426 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 142.5 | 165.1 | -174.1 | -174 | -172 | -68.7 | 0 | 107.6 | D138 T190 Q191 Y192 | K136-D138 IonicContact NZ-OD1 3.56Å; K136-D138 PolarHBondContact NZ-OD1 3.06Å; K136-D138 IonicContact NZ-OD2 3.46Å; K136-D138 PolarHBondContact NZ-OD2 3.33Å; K136-T190 HydrophobicContact CD-CG2 4.23Å; K136-T190 HydrophobicContact CG-CG2 3.61Å; K136-Q191 CarbonylContact C-O 3.54Å; K136-Q191 WeakPolarHBondContact CA-O 3.44Å; K136-Y192 HydrophobicContact CB-CD1 4.39Å; K136-Y192 HydrophobicContact CB-CE1 4.28Å; K136-Y192 HydrophobicContact CD-CE1 4.21Å; K136-Y192 HydrophobicContact CG-CD1 4.37Å; K136-Y192 HydrophobicContact CG-CE1 3.93Å |
| 137 | S | 87.2 | Confident | 83.9 | Confident | 23 Ų | 23 | 44 Ų | 44 | 16% | 0.161 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 133.7 | 173.2 | -52.7 | 0 | 0 | 0 | 0 | 110 | Q191 | S137-Q191 PolarHBondContact N-O 3.4Å; S137-Q191 PolarHBondContact O-N 3.45Å |
| 138 | D | 84.8 | Confident | 83.6 | Confident | 31 Ų | 31 | 43.3 Ų | 43.3 | 17% | 0.166 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 139.8 | -173.3 | -59 | -58.5 | 0 | 0 | 0 | 111.9 | K136 F155 Q156 T190 | K136-D138 IonicContact NZ-OD1 3.56Å; K136-D138 PolarHBondContact NZ-OD1 3.06Å; K136-D138 IonicContact NZ-OD2 3.46Å; K136-D138 PolarHBondContact NZ-OD2 3.33Å; D138-F155 WeakPolarHBondContact O-CD2 3.31Å; D138-Q156 PolarHBondContact O-N 3.4Å; D138-Q156 PolarHBondContact OD2-NE2 2.96Å; D138-T190 WeakPolarHBondContact OD1-CB 3.26Å; D138-T190 VanDerWaalsContact OD1-CG2 3.31Å; D138-T190 WeakPolarHBondContact OD1-CG2 3.35Å; D138-T190 PolarHBondContact OD1-OG1 3.48Å |
| 139 | F | 80.7 | Confident | 83.3 | Confident | 53 Ų | 53 | 43.5 Ų | 43.5 | 23% | 0.232 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 138.7 | -176.8 | -60.4 | -108.6 | 0 | 0 | 0 | 108.8 | F155 R189 Q191 | F139-F155 AromaticContact CD1-CD2 3.61Å; F139-F155 HydrophobicContact CD1-CD2 3.61Å; F139-F155 HydrophobicContact CD1-CE2 4.26Å; F139-F155 HydrophobicContact CD2-CD2 4.27Å; F139-F155 HydrophobicContact CD2-CE2 4.27Å; F139-F155 AromaticContact CE1-CD2 3.47Å; F139-F155 HydrophobicContact CE1-CD2 3.47Å; F139-F155 VanDerWaalsContact CE1-CD2 3.47Å; F139-F155 AromaticContact CE1-CE2 3.8Å; F139-F155 HydrophobicContact CE1-CE2 3.8Å; F139-F155 HydrophobicContact CE1-CG 4.44Å; F139-F155 HydrophobicContact CE2-CD2 4.12Å; F139-F155 AromaticContact CE2-CE2 3.8Å; F139-F155 HydrophobicContact CE2-CE2 3.8Å; F139-F155 HydrophobicContact CG-CD2 4.01Å; F139-F155 HydrophobicContact CG-CE2 4.48Å; F139-F155 AromaticContact CZ-CD2 3.74Å; F139-F155 HydrophobicContact CZ-CD2 3.74Å; F139-F155 AromaticContact CZ-CE2 3.54Å; F139-F155 HydrophobicContact CZ-CE2 3.54Å; F139-R189 HydrophobicContact CB-CB 4.36Å; F139-R189 PolarHBondContact N-O 2.99Å; F139-R189 PolarHBondContact O-N 3.43Å; F139-Q191 HydrophobicContact CD2-CB 4.31Å; F139-Q191 HydrophobicContact CE2-CB 3.71Å |
| 140 | W | 79.8 | Confident | 83 | Confident | 93 Ų | 93 | 43.5 Ų | 43.5 | 35% | 0.352 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137.3 | 168.6 | -65.3 | 98 | 0 | 0 | 0 | 109.2 | S153 I154 N186 | W140-S153 CarbonylContact O-C 3.59Å; W140-S153 VanDerWaalsContact O-CA 3.26Å; W140-S153 WeakPolarHBondContact O-CA 3.48Å; W140-I154 HydrophobicContact CB-CB 4.41Å; W140-I154 PolarHBondContact N-O 3.28Å; W140-I154 PolarHBondContact O-N 2.89Å; W140-N186 HydrophobicContact CE3-CB 4.49Å |
| 141 | T | 80.9 | Confident | 82.1 | Confident | 21 Ų | 21 | 45.3 Ų | 45.3 | 13% | 0.129 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 119.6 | 176.5 | -61.8 | 0 | 0 | 0 | 0 | 109.6 | V143 I150 S153 L187 | T141-V143 HydrophobicContact CG2-CG2 3.9Å; T141-I150 HydrophobicContact CG2-CD1 4.39Å; T141-I150 HydrophobicContact CG2-CG1 4.35Å; T141-I150 HydrophobicContact CG2-CG2 3.63Å; T141-S153 PolarHBondContact OG1-OG 2.52Å; T141-S153 VanDerWaalsContact OG1-OG 3.11Å; T141-L187 PolarHBondContact N-O 3.39Å; T141-L187 PolarHBondContact O-N 2.97Å |
| 142 | S | 79.6 | Confident | 80.9 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.028 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 121 | 179.2 | -55.3 | 0 | 0 | 0 | 0 | 110 | F151 E152 I185 N186 | S142-F151 PolarHBondContact O-N 3.27Å; S142-E152 PolarHBondContact N-O 2.86Å; S142-I185 WeakPolarHBondContact CA-O 3.24Å; S142-N186 WeakPolarHBondContact CB-OD1 3.43Å; S142-N186 PolarHBondContact OG-OD1 3.07Å |
| 143 | V | 81.6 | Confident | 79.4 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 134.9 | -172.8 | -171.3 | 0 | 0 | 0 | 0 | 110.2 | W70 F72 T141 M145 K149 I150 I185 L187 | W70-V143 HydrophobicContact CH2-CG1 4.16Å; W70-V143 HydrophobicContact CZ2-CG1 4.28Å; F72-V143 HydrophobicContact CE1-CG1 4.2Å; F72-V143 HydrophobicContact CE1-CG2 4.16Å; F72-V143 HydrophobicContact CZ-CG2 4.25Å; T141-V143 HydrophobicContact CG2-CG2 3.9Å; V143-M145 PolarHBondContact O-N 3.1Å; V143-K149 WeakPolarHBondContact CA-O 3.19Å; V143-I150 HydrophobicContact CG2-CG1 4.3Å; V143-I185 PolarHBondContact N-O 3.45Å; V143-I185 PolarHBondContact O-N 3.24Å; V143-L187 HydrophobicContact CG2-CD1 3.74Å; V143-L187 HydrophobicContact CG2-CG 4.28Å |
| 144 | D | 80.8 | Confident | 77.8 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 7% | 0.07 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 123.1 | 169.7 | -178.4 | 14.8 | 0 | 0 | 0 | 111.7 | N146 S147 G148 K149 F151 | D144-N146 PolarHBondContact O-N 3.4Å; D144-N146 WeakPolarHBondContact OD1-CB 3.4Å; D144-N146 PolarHBondContact OD1-N 3.39Å; D144-S147 VanDerWaalsContact OD2-CB 3.23Å; D144-S147 WeakPolarHBondContact OD2-CB 3.45Å; D144-S147 PolarHBondContact OD2-N 3.28Å; D144-S147 PolarHBondContact OD2-OG 3.13Å; D144-G148 WeakPolarHBondContact O-CA 3.39Å; D144-G148 PolarHBondContact O-N 3.13Å; D144-K149 HydrophobicContact CB-CB 4.47Å; D144-K149 PolarHBondContact N-O 3.22Å; D144-F151 HydrophobicContact CB-CE2 3.71Å; D144-F151 HydrophobicContact CB-CZ 4.21Å |
| 145 | M | 77.4 | Confident | 76 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -29.5 | 171.5 | -179.5 | 73.4 | 78.9 | 0 | 0 | 112.6 | R69 W70 V143 D183 I185 L260 | R69-M145 VanDerWaalsContact CD-O 3.29Å; R69-M145 WeakPolarHBondContact CD-O 3.28Å; R69-M145 PolarHBondContact NH1-O 3Å; W70-M145 PolarHBondContact NE1-O 3.11Å; V143-M145 PolarHBondContact O-N 3.1Å; M145-D183 HydrophobicContact CB-CB 3.99Å; M145-D183 WeakPolarHBondContact CB-O 3.25Å; M145-D183 PolarHBondContact N-O 2.88Å; M145-I185 HydrophobicContact CB-CD1 4.3Å; M145-I185 HydrophobicContact CB-CG1 4.27Å; M145-I185 HydrophobicContact CE-CD1 3.72Å; M145-I185 HydrophobicContact CE-CG1 3.84Å; M145-I185 HydrophobicContact SD-CD1 3.82Å; M145-I185 HydrophobicContact SD-CG1 4.44Å; M145-L260 HydrophobicContact CE-CB 4.47Å; M145-L260 HydrophobicContact CE-CD1 3.85Å; M145-L260 HydrophobicContact CE-CD2 4.15Å; M145-L260 HydrophobicContact CE-CG 4.36Å; M145-L260 HydrophobicContact SD-CD1 4.04Å |
| 146 | N | 77.5 | Confident | 73.9 | Confident | 68 Ų | 68 | 50.4 Ų | 50.4 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -59.5 | -174 | -63.7 | -28.5 | 0 | 0 | 0 | 111.3 | R69 D144 E181 | R69-N146 PolarHBondContact NH1-OD1 3.19Å; D144-N146 PolarHBondContact O-N 3.4Å; D144-N146 WeakPolarHBondContact OD1-CB 3.4Å; D144-N146 PolarHBondContact OD1-N 3.39Å; N146-E181 PolarHBondContact ND2-O 3.26Å |
| 147 | S | 78.1 | Confident | 71.6 | Confident | 70 Ų | 70 | 50.7 Ų | 50.7 | 49% | 0.49 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -11.3 | -178.4 | 67.3 | 0 | 0 | 0 | 0 | 115.8 | D144 K149 | D144-S147 VanDerWaalsContact OD2-CB 3.23Å; D144-S147 WeakPolarHBondContact OD2-CB 3.45Å; D144-S147 PolarHBondContact OD2-N 3.28Å; D144-S147 PolarHBondContact OD2-OG 3.13Å; S147-K149 PolarHBondContact O-N 3.49Å; S147-K149 WeakPolarHBondContact OG-CB 3.43Å; S147-K149 PolarHBondContact OG-N 3.46Å |
| 148 | G | 76.7 | Confident | 69.6 | Low | 11 Ų | 11 | 57.9 Ų | 57.9 | 11% | 0.113 | 29% | 0.286 | C | S | . | . | trans | 70.8 | 6.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | W70 D144 | W70-G148 VanDerWaalsContact CD1-CA 3.49Å; W70-G148 VanDerWaalsContact CD1-N 3.28Å; W70-G148 VanDerWaalsContact CD2-CA 3.48Å; D144-G148 WeakPolarHBondContact O-CA 3.39Å; D144-G148 PolarHBondContact O-N 3.13Å | ||
| 149 | K | 75.7 | Confident | 67.7 | Low | 131 Ų | 131 | 58.2 Ų | 58.2 | 57% | 0.57 | 29% | 0.289 | S | S | * | . | trans | -71.4 | 130.4 | -177.6 | -173 | 179.5 | -179.4 | -175.9 | 0 | 110.8 | V143 D144 S147 | V143-K149 WeakPolarHBondContact CA-O 3.19Å; D144-K149 HydrophobicContact CB-CB 4.47Å; D144-K149 PolarHBondContact N-O 3.22Å; S147-K149 PolarHBondContact O-N 3.49Å; S147-K149 WeakPolarHBondContact OG-CB 3.43Å; S147-K149 PolarHBondContact OG-N 3.46Å | ||
| 150 | I | 76.2 | Confident | 66.1 | Low | 76 Ų | 76 | 62.7 Ų | 62.7 | 39% | 0.39 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 128.3 | 173 | -56.7 | 174.7 | 0 | 0 | 0 | 108.7 | F72 T141 V143 | F72-I150 HydrophobicContact CD2-CD1 3.97Å; F72-I150 HydrophobicContact CE2-CD1 4.29Å; F72-I150 HydrophobicContact CG-CD1 4.38Å; T141-I150 HydrophobicContact CG2-CD1 4.39Å; T141-I150 HydrophobicContact CG2-CG1 4.35Å; T141-I150 HydrophobicContact CG2-CG2 3.63Å; V143-I150 HydrophobicContact CG2-CG1 4.3Å |
| 151 | F | 65.8 | Low | 64.4 | Low | 73 Ų | 73 | 62.5 Ų | 62.5 | 32% | 0.32 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -56.7 | 177.9 | -72.5 | -68.6 | 0 | 0 | 0 | 112.8 | S142 D144 L166 I182 I184 | S142-F151 PolarHBondContact O-N 3.27Å; D144-F151 HydrophobicContact CB-CE2 3.71Å; D144-F151 HydrophobicContact CB-CZ 4.21Å; F151-L166 HydrophobicContact CB-CD2 3.68Å; F151-L166 HydrophobicContact CD1-CD2 4.26Å; F151-L166 HydrophobicContact CD2-CD2 4.38Å; F151-L166 HydrophobicContact CG-CD2 3.88Å; F151-I182 HydrophobicContact CE2-CG2 3.61Å; F151-I182 HydrophobicContact CZ-CD1 4.21Å; F151-I182 HydrophobicContact CZ-CG2 3.58Å; F151-I184 HydrophobicContact CD2-CD1 4.12Å; F151-I184 HydrophobicContact CD2-CG1 4.28Å; F151-I184 HydrophobicContact CE2-CD1 4.12Å; F151-I184 HydrophobicContact CE2-CG1 4.04Å |
| 152 | E | 63.1 | Low | 62.7 | Low | 54 Ų | 54 | 65.1 Ų | 65.1 | 25% | 0.252 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 144.1 | 179.8 | -168.5 | 159.2 | -150.5 | 0 | 0 | 109.7 | S142 I154 K161 L166 | S142-E152 PolarHBondContact N-O 2.86Å; E152-I154 HydrophobicContact CG-CG1 3.92Å; E152-K161 IonicContact OE1-NZ 3.02Å; E152-K161 PolarHBondContact OE1-NZ 2.81Å; E152-K161 IonicContact OE2-NZ 3.36Å; E152-K161 PolarHBondContact OE2-NZ 3.27Å; E152-L166 HydrophobicContact CB-CD1 4.35Å |
| 153 | S | 57.7 | Low | 61.2 | Low | 78 Ų | 78 | 66.8 Ų | 66.8 | 55% | 0.545 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 101.8 | 170.4 | -79.1 | 0 | 0 | 0 | 0 | 109 | W140 T141 | W140-S153 CarbonylContact O-C 3.59Å; W140-S153 VanDerWaalsContact O-CA 3.26Å; W140-S153 WeakPolarHBondContact O-CA 3.48Å; T141-S153 PolarHBondContact OG1-OG 2.52Å; T141-S153 VanDerWaalsContact OG1-OG 3.11Å |
| 154 | I | 57.6 | Low | 59.6 | Low | 14 Ų | 14 | 71.2 Ų | 71.2 | 7% | 0.072 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 120.2 | -177.2 | -54.2 | 177.7 | 0 | 0 | 0 | 108.6 | W140 E152 K161 P163 | W140-I154 HydrophobicContact CB-CB 4.41Å; W140-I154 PolarHBondContact N-O 3.28Å; W140-I154 PolarHBondContact O-N 2.89Å; E152-I154 HydrophobicContact CG-CG1 3.92Å; I154-K161 HydrophobicContact CD1-CB 4.38Å; I154-P163 HydrophobicContact CD1-CG 4.27Å |
| 155 | F | 51.5 | Low | 57.8 | Low | 64 Ų | 64 | 73.2 Ų | 73.2 | 28% | 0.281 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 153 | 173.4 | -178.1 | -113 | 0 | 0 | 0 | 111 | D138 F139 N157 Y158 | D138-F155 WeakPolarHBondContact O-CD2 3.31Å; F139-F155 AromaticContact CD1-CD2 3.61Å; F139-F155 HydrophobicContact CD1-CD2 3.61Å; F139-F155 HydrophobicContact CD1-CE2 4.26Å; F139-F155 HydrophobicContact CD2-CD2 4.27Å; F139-F155 HydrophobicContact CD2-CE2 4.27Å; F139-F155 AromaticContact CE1-CD2 3.47Å; F139-F155 HydrophobicContact CE1-CD2 3.47Å; F139-F155 VanDerWaalsContact CE1-CD2 3.47Å; F139-F155 AromaticContact CE1-CE2 3.8Å; F139-F155 HydrophobicContact CE1-CE2 3.8Å; F139-F155 HydrophobicContact CE1-CG 4.44Å; F139-F155 HydrophobicContact CE2-CD2 4.12Å; F139-F155 AromaticContact CE2-CE2 3.8Å; F139-F155 HydrophobicContact CE2-CE2 3.8Å; F139-F155 HydrophobicContact CG-CD2 4.01Å; F139-F155 HydrophobicContact CG-CE2 4.48Å; F139-F155 AromaticContact CZ-CD2 3.74Å; F139-F155 HydrophobicContact CZ-CD2 3.74Å; F139-F155 AromaticContact CZ-CE2 3.54Å; F139-F155 HydrophobicContact CZ-CE2 3.54Å; F155-N157 HydrophobicContact CD1-CB 4.07Å; F155-N157 HydrophobicContact CE1-CB 4.4Å; F155-N157 PolarHBondContact O-N 3.2Å; F155-Y158 PolarHBondContact O-N 3.39Å |
| 156 | Q | 46.9 | Very low | 56.2 | Low | 83 Ų | 83 | 74.5 Ų | 74.5 | 39% | 0.388 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | -19.2 | -175.7 | -156.6 | 152.5 | 33.1 | 0 | 0 | 116.6 | D138 H674 | D138-Q156 PolarHBondContact O-N 3.4Å; D138-Q156 PolarHBondContact OD2-NE2 2.96Å; Q156-H674 PolarHBondContact O-CE1 3.36Å; Q156-H674 PolarHBondContact O-NE2 3.13Å |
| 157 | N | 44.3 | Very low | 54.6 | Low | 104 Ų | 104 | 76 Ų | 76 | 56% | 0.556 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -16.4 | 175.7 | -70 | -4.3 | 0 | 0 | 0 | 114.8 | F155 V159 H674 | F155-N157 HydrophobicContact CD1-CB 4.07Å; F155-N157 HydrophobicContact CE1-CB 4.4Å; F155-N157 PolarHBondContact O-N 3.2Å; N157-V159 PolarHBondContact O-N 2.67Å; N157-H674 WeakPolarHBondContact CA-NE2 3.42Å; N157-H674 PolarHBondContact N-NE2 3.34Å; N157-H674 VanDerWaalsContact N-NE2 3.15Å; N157-H674 PolarHBondContact OD1-NE2 3.06Å |
| 158 | Y | 45.4 | Very low | 52.8 | Low | 174 Ų | 174 | 78.9 Ų | 78.9 | 68% | 0.682 | 41% | 0.413 | S | S | * | . | trans | -89.6 | 95.5 | 175.6 | -84.6 | -82.3 | 0 | 0 | 0 | 109.9 | F155 | F155-Y158 PolarHBondContact O-N 3.39Š| ||
| 159 | V | 44.8 | Very low | 51 | Low | 38 Ų | 38 | 86.1 Ų | 86.1 | 23% | 0.23 | 44% | 0.444 | C | S | . | . | trans | -84.7 | -31.6 | -174.1 | 172.6 | 0 | 0 | 0 | 0 | 112.8 | N157 K161 H674 P675 L676 | N157-V159 PolarHBondContact O-N 2.67Å; V159-K161 VanDerWaalsContact C-N 3.29Å; V159-K161 PolarHBondContact O-N 3.49Å; V159-H674 WeakPolarHBondContact CG2-CE1 3.39Å; V159-P675 HydrophobicContact CB-CB 3.84Å; V159-P675 HydrophobicContact CB-CG 4.06Å; V159-P675 HydrophobicContact CG1-CB 4Å; V159-P675 HydrophobicContact CG2-CB 3.8Å; V159-P675 HydrophobicContact CG2-CG 3.77Å; V159-L676 HydrophobicContact CB-CG 4.44Å; V159-L676 HydrophobicContact CG1-CD2 3.39Å; V159-L676 HydrophobicContact CG1-CG 3.75Å; V159-L676 HydrophobicContact CG2-CD1 4.42Å; V159-L676 HydrophobicContact CG2-CD2 4.38Å; V159-L676 HydrophobicContact CG2-CG 3.8Å | ||
| 160 | D | 46.8 | Very low | 49.3 | Very low | 147 Ų | 147 | 84.7 Ų | 84.7 | 79% | 0.786 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -92.5 | 19.9 | -166.5 | -47.5 | -55.6 | 0 | 0 | 0 | 113.4 | ||
| 161 | K | 44.7 | Very low | 47.7 | Very low | 89 Ų | 89 | 84.9 Ų | 84.9 | 39% | 0.387 | 45% | 0.447 | S | S | . | . | trans | -131.5 | 112.5 | 176.6 | -86 | -166.4 | 163.7 | -159.7 | 0 | 111.6 | E152 I154 V159 | E152-K161 IonicContact OE1-NZ 3.02Å; E152-K161 PolarHBondContact OE1-NZ 2.81Å; E152-K161 IonicContact OE2-NZ 3.36Å; E152-K161 PolarHBondContact OE2-NZ 3.27Å; I154-K161 HydrophobicContact CD1-CB 4.38Å; V159-K161 VanDerWaalsContact C-N 3.29Å; V159-K161 PolarHBondContact O-N 3.49Å | ||
| 162 | C | 44.7 | Very low | 46.3 | Very low | 76 Ų | 76 | 86.6 Ų | 86.6 | 51% | 0.514 | 46% | 0.459 | S | S | . | . | trans | -80 | 135.2 | 166.5 | -168.3 | 0 | 0 | 0 | 0 | 110 | T164 S165 | C162-T164 PolarHBondContact O-N 2.93Å; C162-T164 PolarHBondContact SG-OG1 3.32Å; C162-T164 VanDerWaalsContact SG-OG1 3.38Å; C162-S165 WeakPolarHBondContact O-CB 3.42Å; C162-S165 PolarHBondContact O-N 3.2Å; C162-S165 PolarHBondContact O-OG 2.93Å | ||
| 163 | P | 47.6 | Very low | 45.1 | Very low | 39 Ų | 39 | 90.8 Ų | 90.8 | 25% | 0.253 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -58.1 | -19 | -177.4 | -27.1 | 34.9 | 0 | 0 | 0 | 115.9 | I154 S165 | I154-P163 HydrophobicContact CD1-CG 4.27Å; P163-S165 VanDerWaalsContact C-N 3.34Å |
| 164 | T | 47.6 | Very low | 44.1 | Very low | 94 Ų | 94 | 93 Ų | 93 | 58% | 0.577 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -79.4 | -10.5 | 175.9 | 45.3 | 0 | 0 | 0 | 0 | 114.3 | C162 L166 | C162-T164 PolarHBondContact O-N 2.93Å; C162-T164 PolarHBondContact SG-OG1 3.32Å; C162-T164 VanDerWaalsContact SG-OG1 3.38Å; T164-L166 PolarHBondContact O-N 3.42Å |
| 165 | S | 43.9 | Very low | 43 | Very low | 55 Ų | 55 | 99.4 Ų | 99.4 | 39% | 0.385 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -68.1 | -15.8 | -176.6 | 59.1 | 0 | 0 | 0 | 0 | 115 | C162 P163 N167 N168 | C162-S165 WeakPolarHBondContact O-CB 3.42Å; C162-S165 PolarHBondContact O-N 3.2Å; C162-S165 PolarHBondContact O-OG 2.93Å; P163-S165 VanDerWaalsContact C-N 3.34Å; S165-N167 PolarHBondContact O-N 3.46Å; S165-N167 VanDerWaalsContact O-N 3.11Å; S165-N168 PolarHBondContact O-N 2.97Å |
| 166 | L | 44.5 | Very low | 42.2 | Very low | 27 Ų | 27 | 104.5 Ų | 104.5 | 14% | 0.141 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -62.5 | -22.9 | -173.5 | -143.7 | 89.2 | 0 | 0 | 0 | 114 | F151 E152 T164 N168 I184 | F151-L166 HydrophobicContact CB-CD2 3.68Å; F151-L166 HydrophobicContact CD1-CD2 4.26Å; F151-L166 HydrophobicContact CD2-CD2 4.38Å; F151-L166 HydrophobicContact CG-CD2 3.88Å; E152-L166 HydrophobicContact CB-CD1 4.35Å; T164-L166 PolarHBondContact O-N 3.42Å; L166-N168 PolarHBondContact O-N 3.32Å; L166-I184 HydrophobicContact CD2-CD1 4.09Å |
| 167 | N | 44 | Very low | 41.5 | Very low | 100 Ų | 100 | 103.9 Ų | 103.9 | 54% | 0.535 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71.8 | -21.6 | -174.3 | -72.2 | 4.3 | 0 | 0 | 0 | 114.4 | S165 V171 | S165-N167 PolarHBondContact O-N 3.46Å; S165-N167 VanDerWaalsContact O-N 3.11Å; N167-V171 WeakPolarHBondContact O-CG2 3.27Å |
| 168 | N | 39.2 | Very low | 41.2 | Very low | 129 Ų | 129 | 105.1 Ų | 105.1 | 69% | 0.69 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -105.5 | -32.9 | -169 | -73.3 | 2.3 | 0 | 0 | 0 | 115 | S165 L166 N172 | S165-N168 PolarHBondContact O-N 2.97Å; L166-N168 PolarHBondContact O-N 3.32Å; N168-N172 PolarHBondContact O-ND2 3.07Å |
| 169 | E | 39.6 | Very low | 40.9 | Very low | 164 Ų | 164 | 106.6 Ų | 106.6 | 77% | 0.766 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -91.8 | -31.9 | -174 | -63.8 | -162.8 | 150.5 | 0 | 0 | 114.1 | ||
| 170 | N | 39.1 | Very low | 41.1 | Very low | 101 Ų | 101 | 113 Ų | 113 | 54% | 0.54 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -86.1 | -27 | -178.1 | -76.4 | -44.5 | 0 | 0 | 0 | 114 | N172 N173 | N170-N172 VanDerWaalsContact C-N 3.3Å; N170-N172 PolarHBondContact O-N 3.41Å; N170-N173 PolarHBondContact O-N 2.97Å; N170-N173 VanDerWaalsContact O-N 3.13Å |
| 171 | V | 42.4 | Very low | 41.4 | Very low | 80 Ų | 80 | 112.5 Ų | 112.5 | 49% | 0.485 | 60% | 0.596 | S | S | . | * | G | 310 helix | trans | -62.6 | -37.3 | -177.2 | 174 | 0 | 0 | 0 | 0 | 111.8 | N167 N173 M174 | N167-V171 WeakPolarHBondContact O-CG2 3.27Å; V171-N173 PolarHBondContact O-N 2.96Å; V171-N173 VanDerWaalsContact O-N 3.1Å; V171-M174 PolarHBondContact O-N 2.99Å |
| 172 | N | 36.5 | Very low | 42.2 | Very low | 108 Ų | 108 | 112.8 Ų | 112.8 | 58% | 0.578 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -64.5 | -14.4 | 178.5 | -66.6 | -35.4 | 0 | 0 | 0 | 114 | N168 N170 | N168-N172 PolarHBondContact O-ND2 3.07Å; N170-N172 VanDerWaalsContact C-N 3.3Å; N170-N172 PolarHBondContact O-N 3.41Å |
| 173 | N | 38.8 | Very low | 43.4 | Very low | 143 Ų | 143 | 109.8 Ų | 109.8 | 77% | 0.765 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -101.5 | 2.7 | 174.4 | -76.2 | -48.2 | 0 | 0 | 0 | 113.8 | N170 V171 | N170-N173 PolarHBondContact O-N 2.97Å; N170-N173 VanDerWaalsContact O-N 3.13Å; V171-N173 PolarHBondContact O-N 2.96Å; V171-N173 VanDerWaalsContact O-N 3.1Å |
| 174 | M | 37.1 | Very low | 44.6 | Very low | 125 Ų | 125 | 109.9 Ų | 109.9 | 62% | 0.616 | 58% | 0.578 | S | S | * | * | trans | -122.6 | 13.1 | 178.7 | -81.3 | -164.3 | 71.8 | 0 | 0 | 115.3 | V171 N176 S177 | V171-M174 PolarHBondContact O-N 2.99Å; M174-N176 PolarHBondContact O-N 3.32Å; M174-S177 PolarHBondContact O-N 3.29Å | ||
| 175 | Q | 34.4 | Very low | 46 | Very low | 147 Ų | 147 | 105.4 Ų | 105.4 | 69% | 0.687 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 24.6 | 176.3 | -67.1 | -171.5 | -28.4 | 0 | 0 | 115.8 | ||
| 176 | N | 34.9 | Very low | 47.6 | Very low | 172 Ų | 172 | 104.4 Ų | 104.4 | 92% | 0.92 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.3 | 18.6 | 178.7 | -81.4 | -55.7 | 0 | 0 | 0 | 113.4 | M174 | M174-N176 PolarHBondContact O-N 3.32Š|
| 177 | S | 32.4 | Very low | 49.4 | Very low | 69 Ų | 69 | 103.4 Ų | 103.4 | 48% | 0.483 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -136.4 | 147.4 | 169.5 | 50.7 | 0 | 0 | 0 | 0 | 110.2 | M174 | M174-S177 PolarHBondContact O-N 3.29Š|
| 178 | T | 37.3 | Very low | 51.3 | Low | 131 Ų | 131 | 98.9 Ų | 98.9 | 80% | 0.804 | 51% | 0.513 | S | S | * | . | trans | -49.6 | 143 | -172.1 | 42 | 0 | 0 | 0 | 0 | 114.7 | E180 | T178-E180 PolarHBondContact O-N 2.96Š| ||
| 179 | E | 39.1 | Very low | 53.5 | Low | 204 Ų | 204 | 93.5 Ų | 93.5 | 95% | 0.953 | 48% | 0.483 | S | S | * | . | trans | -69 | 85.9 | -173.1 | -59.8 | 177.5 | 143 | 0 | 0 | 113.3 | ||||
| 180 | E | 48.6 | Very low | 55.8 | Low | 172 Ų | 172 | 86.7 Ų | 86.7 | 80% | 0.804 | 45% | 0.453 | S | S | * | . | trans | -98.6 | 121.4 | 161.2 | -67.9 | -165.4 | 150.2 | 0 | 0 | 110.5 | T178 I182 | T178-E180 PolarHBondContact O-N 2.96Å; E180-I182 PolarHBondContact O-N 2.82Å | ||
| 181 | E | 52.6 | Low | 58.3 | Low | 138 Ų | 138 | 83.5 Ų | 83.5 | 65% | 0.645 | 43% | 0.434 | S | S | * | . | trans | -74.4 | 109.1 | -176.7 | -165.9 | -167.9 | -169.1 | 0 | 0 | 110.9 | N146 D183 K294 | N146-E181 PolarHBondContact ND2-O 3.26Å; E181-D183 PolarHBondContact O-N 3.17Å; E181-K294 IonicContact OE1-NZ 2.66Å; E181-K294 PolarHBondContact OE1-NZ 3.17Å; E181-K294 IonicContact OE2-NZ 3.53Å; E181-K294 PolarHBondContact OE2-NZ 3.48Å | ||
| 182 | I | 61.1 | Low | 60.8 | Low | 94 Ų | 94 | 81.4 Ų | 81.4 | 48% | 0.482 | 42% | 0.418 | S | S | . | . | trans | -72.5 | 123.6 | -177.6 | -51.4 | 177.2 | 0 | 0 | 0 | 110.3 | F151 E180 I184 | F151-I182 HydrophobicContact CE2-CG2 3.61Å; F151-I182 HydrophobicContact CZ-CD1 4.21Å; F151-I182 HydrophobicContact CZ-CG2 3.58Å; E180-I182 PolarHBondContact O-N 2.82Å; I182-I184 HydrophobicContact CG2-CD1 4.25Å; I182-I184 HydrophobicContact CG2-CG1 3.76Å | ||
| 183 | D | 70.3 | Confident | 63.5 | Low | 14 Ų | 14 | 77.8 Ų | 77.8 | 8% | 0.075 | 40% | 0.398 | C | S | . | . | trans | -110.4 | 96.8 | -177.2 | -177.5 | 5.8 | 0 | 0 | 0 | 109.7 | N45 M145 E181 R297 | N45-D183 PolarHBondContact ND2-OD2 3.29Å; M145-D183 HydrophobicContact CB-CB 3.99Å; M145-D183 WeakPolarHBondContact CB-O 3.25Å; M145-D183 PolarHBondContact N-O 2.88Å; E181-D183 PolarHBondContact O-N 3.17Å; D183-R297 IonicContact OD1-CZ 3.14Å; D183-R297 IonicContact OD1-NE 3.76Å; D183-R297 PolarHBondContact OD1-NE 3.4Å; D183-R297 IonicContact OD1-NH2 3.91Å; D183-R297 PolarHBondContact OD1-NH2 3.32Å; D183-R297 IonicContact OD2-CZ 2.68Å; D183-R297 IonicContact OD2-NE 2.66Å; D183-R297 PolarHBondContact OD2-NE 3.18Å; D183-R297 IonicContact OD2-NH2 2.85Å; D183-R297 PolarHBondContact OD2-NH2 3.26Å | ||
| 184 | I | 73.2 | Confident | 66.1 | Low | 40 Ų | 40 | 71 Ų | 71 | 21% | 0.205 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 130.4 | -168.6 | -55.3 | -179.8 | 0 | 0 | 0 | 111.9 | F151 L166 I182 | F151-I184 HydrophobicContact CD2-CD1 4.12Å; F151-I184 HydrophobicContact CD2-CG1 4.28Å; F151-I184 HydrophobicContact CE2-CD1 4.12Å; F151-I184 HydrophobicContact CE2-CG1 4.04Å; L166-I184 HydrophobicContact CD2-CD1 4.09Å; I182-I184 HydrophobicContact CG2-CD1 4.25Å; I182-I184 HydrophobicContact CG2-CG1 3.76Å |
| 185 | I | 77.8 | Confident | 68.8 | Low | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 133.2 | 169.2 | -41.5 | 168.8 | 0 | 0 | 0 | 109 | W70 S142 V143 M145 L187 L260 | W70-I185 HydrophobicContact CZ2-CD1 4.2Å; S142-I185 WeakPolarHBondContact CA-O 3.24Å; V143-I185 PolarHBondContact N-O 3.45Å; V143-I185 PolarHBondContact O-N 3.24Å; M145-I185 HydrophobicContact CB-CD1 4.3Å; M145-I185 HydrophobicContact CB-CG1 4.27Å; M145-I185 HydrophobicContact CE-CD1 3.72Å; M145-I185 HydrophobicContact CE-CG1 3.84Å; M145-I185 HydrophobicContact SD-CD1 3.82Å; M145-I185 HydrophobicContact SD-CG1 4.44Å; I185-L187 HydrophobicContact CG2-CD2 3.69Å; I185-L187 HydrophobicContact CG2-CG 4.42Å; I185-L260 HydrophobicContact CD1-CD1 4.36Å; I185-L260 HydrophobicContact CD1-CD2 3.94Å; I185-L260 HydrophobicContact CG1-CD2 4.26Å; I185-L260 HydrophobicContact CG2-CD2 3.78Å |
| 186 | N | 77.4 | Confident | 71.4 | Confident | 35 Ų | 35 | 59.6 Ų | 59.6 | 19% | 0.187 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 107.9 | 170.9 | -75.6 | -36.3 | 0 | 0 | 0 | 110.5 | W140 S142 | W140-N186 HydrophobicContact CE3-CB 4.49Å; S142-N186 WeakPolarHBondContact CB-OD1 3.43Å; S142-N186 PolarHBondContact OG-OD1 3.07Å |
| 187 | L | 82.9 | Confident | 74 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 106.1 | -179.8 | -55.1 | 179 | 0 | 0 | 0 | 110.2 | L50 F72 T141 V143 I185 F213 L299 | L50-L187 HydrophobicContact CD1-CD2 4.19Å; F72-L187 HydrophobicContact CE1-CD1 4.18Å; F72-L187 HydrophobicContact CZ-CD1 3.73Å; T141-L187 PolarHBondContact N-O 3.39Å; T141-L187 PolarHBondContact O-N 2.97Å; V143-L187 HydrophobicContact CG2-CD1 3.74Å; V143-L187 HydrophobicContact CG2-CG 4.28Å; I185-L187 HydrophobicContact CG2-CD2 3.69Å; I185-L187 HydrophobicContact CG2-CG 4.42Å; L187-F213 HydrophobicContact CB-CD1 4.32Å; L187-F213 HydrophobicContact CB-CE1 4.01Å; L187-L299 HydrophobicContact CD2-CD1 3.93Å; L187-L299 HydrophobicContact CD2-CD2 4.21Å; L187-L299 HydrophobicContact CD2-CG 4.45Å |
| 188 | G | 82.1 | Confident | 76.5 | Confident | 6 Ų | 6 | 54 Ų | 54 | 6% | 0.062 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 120.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | F213 A214 | G188-F213 CarbonylContact O-C 3.41Å; G188-F213 WeakPolarHBondContact O-CA 3.23Å; G188-F213 WeakPolarHBondContact O-CD1 3.27Å; G188-A214 PolarHBondContact O-N 3.39Å |
| 189 | R | 86.4 | Confident | 78.7 | Confident | 16 Ų | 16 | 54.2 Ų | 54.2 | 6% | 0.06 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 117.8 | -175.1 | -169.1 | -168.8 | 75 | 110.5 | 16.8 | 111 | F139 N211 T212 F213 | F139-R189 HydrophobicContact CB-CB 4.36Å; F139-R189 PolarHBondContact N-O 2.99Å; F139-R189 PolarHBondContact O-N 3.43Å; R189-N211 PolarHBondContact NH1-ND2 3.5Å; R189-N211 PolarHBondContact NH1-OD1 3.42Å; R189-T212 CarbonylContact C-O 3.46Å; R189-T212 WeakPolarHBondContact CA-O 3.15Å; R189-F213 HydrophobicContact CB-CD1 3.93Å; R189-F213 HydrophobicContact CB-CE1 3.63Å; R189-F213 HydrophobicContact CB-CZ 4.12Å; R189-F213 HydrophobicContact CG-CD1 4.24Å; R189-F213 HydrophobicContact CG-CE1 3.83Å; R189-F213 HydrophobicContact CG-CE2 4.2Å; R189-F213 HydrophobicContact CG-CZ 3.79Å |
| 190 | T | 88 | Confident | 80.6 | Confident | 21 Ų | 21 | 51.6 Ų | 51.6 | 13% | 0.129 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 126.7 | 172.5 | -61.8 | 0 | 0 | 0 | 0 | 110.7 | K136 D138 Y192 N211 T212 | K136-T190 HydrophobicContact CD-CG2 4.23Å; K136-T190 HydrophobicContact CG-CG2 3.61Å; D138-T190 WeakPolarHBondContact OD1-CB 3.26Å; D138-T190 VanDerWaalsContact OD1-CG2 3.31Å; D138-T190 WeakPolarHBondContact OD1-CG2 3.35Å; D138-T190 PolarHBondContact OD1-OG1 3.48Å; T190-Y192 HydrophobicContact CG2-CD2 3.9Å; T190-Y192 HydrophobicContact CG2-CE1 4.23Å; T190-Y192 HydrophobicContact CG2-CE2 3.37Å; T190-N211 WeakPolarHBondContact O-CA 3.35Å; T190-T212 PolarHBondContact N-O 3.36Å; T190-T212 PolarHBondContact O-N 3.29Å |
| 191 | Q | 92.2 | Very high | 82 | Confident | 34 Ų | 34 | 47.1 Ų | 47.1 | 16% | 0.159 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 132 | 169.5 | -175.5 | 164.1 | -30.9 | 0 | 0 | 110.5 | K136 S137 F139 N193 T209 Y210 N211 | K136-Q191 CarbonylContact C-O 3.54Å; K136-Q191 WeakPolarHBondContact CA-O 3.44Å; S137-Q191 PolarHBondContact N-O 3.4Å; S137-Q191 PolarHBondContact O-N 3.45Å; F139-Q191 HydrophobicContact CD2-CB 4.31Å; F139-Q191 HydrophobicContact CE2-CB 3.71Å; Q191-N193 PolarHBondContact NE2-OD1 3.34Å; Q191-T209 HydrophobicContact CG-CG2 3.79Å; Q191-T209 VanDerWaalsContact NE2-CG2 3.34Å; Q191-Y210 CarbonylContact C-O 3.56Å; Q191-N211 WeakPolarHBondContact CA-OD1 3.24Å; Q191-N211 WeakPolarHBondContact CB-OD1 3.43Å; Q191-N211 WeakPolarHBondContact CG-OD1 3.28Å; Q191-N211 PolarHBondContact OE1-OD1 3.01Å |
| 192 | Y | 93.4 | Very high | 83.2 | Confident | 36 Ų | 36 | 42.3 Ų | 42.3 | 14% | 0.141 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 117.2 | 171.2 | -66.4 | -84.4 | 0 | 0 | 0 | 109 | M117 V120 S135 K136 T190 Y210 T212 | M117-Y192 HydrophobicContact CB-CE1 4.27Å; M117-Y192 HydrophobicContact CG-CD1 4.17Å; M117-Y192 HydrophobicContact CG-CD2 3.91Å; M117-Y192 HydrophobicContact CG-CE1 3.96Å; M117-Y192 HydrophobicContact CG-CE2 3.68Å; M117-Y192 HydrophobicContact CG-CG 4.15Å; M117-Y192 HydrophobicContact SD-CE2 3.86Å; V120-Y192 HydrophobicContact CB-CD1 4.2Å; V120-Y192 HydrophobicContact CG1-CD1 4.1Å; V120-Y192 HydrophobicContact CG2-CD1 4.38Å; S135-Y192 WeakPolarHBondContact O-CA 3.38Å; K136-Y192 HydrophobicContact CB-CD1 4.39Å; K136-Y192 HydrophobicContact CB-CE1 4.28Å; K136-Y192 HydrophobicContact CD-CE1 4.21Å; K136-Y192 HydrophobicContact CG-CD1 4.37Å; K136-Y192 HydrophobicContact CG-CE1 3.93Å; T190-Y192 HydrophobicContact CG2-CD2 3.9Å; T190-Y192 HydrophobicContact CG2-CE1 4.23Å; T190-Y192 HydrophobicContact CG2-CE2 3.37Å; Y192-Y210 AromaticContact CD2-CD1 3.92Å; Y192-Y210 HydrophobicContact CD2-CD1 3.92Å; Y192-Y210 HydrophobicContact CD2-CE1 4.37Å; Y192-Y210 PolarHBondContact N-O 2.75Å; Y192-Y210 PolarHBondContact O-N 2.85Å; Y192-T212 HydrophobicContact CE2-CG2 4.03Å |
| 193 | N | 94 | Very high | 84.2 | Confident | 31 Ų | 31 | 42.1 Ų | 42.1 | 17% | 0.166 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 131.5 | 171.6 | -49.8 | -55.5 | 0 | 0 | 0 | 108.9 | V120 G134 S135 Q191 I208 T209 | V120-N193 WeakPolarHBondContact CG2-O 3.5Å; G134-N193 CarbonylContact C-O 3.48Å; G134-N193 WeakPolarHBondContact CA-O 3.39Å; S135-N193 PolarHBondContact N-O 3.43Å; S135-N193 PolarHBondContact O-N 3.5Å; S135-N193 PolarHBondContact OG-ND2 3.38Å; Q191-N193 PolarHBondContact NE2-OD1 3.34Å; N193-I208 CarbonylContact C-O 3.54Å; N193-I208 WeakPolarHBondContact CA-O 3.44Å; N193-T209 PolarHBondContact OD1-OG1 3.33Å |
| 194 | L | 93.6 | Very high | 84.9 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 118.8 | 176 | -179.2 | 65.7 | 0 | 0 | 0 | 110.7 | L97 I116 H119 V120 L196 N207 I208 | L97-L194 HydrophobicContact CD1-CD2 4.45Å; I116-L194 HydrophobicContact CD1-CB 4.07Å; I116-L194 HydrophobicContact CD1-CD2 4.48Å; I116-L194 HydrophobicContact CG1-CB 3.82Å; I116-L194 HydrophobicContact CG1-CD2 3.69Å; I116-L194 HydrophobicContact CG1-CG 4.39Å; H119-L194 HydrophobicContact CB-CD1 3.92Å; H119-L194 HydrophobicContact CB-CD2 3.8Å; V120-L194 HydrophobicContact CG2-CB 4.21Å; V120-L194 HydrophobicContact CG2-CD1 4.34Å; L194-L196 HydrophobicContact CD1-CD2 4.3Å; L194-L196 HydrophobicContact CG-CD2 4.3Å; L194-N207 CarbonylContact O-C 3.55Å; L194-N207 WeakPolarHBondContact O-CA 3.43Å; L194-I208 PolarHBondContact N-O 3.26Å; L194-I208 PolarHBondContact O-N 2.65Å |
| 195 | V | 93.6 | Very high | 85.4 | Confident | 31 Ų | 31 | 44.6 Ų | 44.6 | 19% | 0.188 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 122.9 | 178.9 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | L133 R197 V204 L206 N207 | L133-V195 HydrophobicContact CB-CB 4.43Å; L133-V195 PolarHBondContact N-O 3.22Å; L133-V195 PolarHBondContact O-N 3.15Å; V195-R197 HydrophobicContact CG1-CG 4.31Å; V195-V204 HydrophobicContact CG1-CB 4.44Å; V195-V204 HydrophobicContact CG1-CG1 3.79Å; V195-V204 HydrophobicContact CG1-CG2 3.87Å; V195-L206 CarbonylContact C-O 3.59Å; V195-L206 WeakPolarHBondContact CA-O 3.07Å; V195-N207 HydrophobicContact CG2-CB 4.32Å; V195-N207 WeakPolarHBondContact CG2-OD1 3.41Å |
| 196 | L | 89.6 | Confident | 85.8 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 118.2 | 170.2 | -55.1 | -168.5 | 0 | 0 | 0 | 109.8 | F87 L88 Y127 F130 L131 L194 R205 L206 | F87-L196 HydrophobicContact CE2-CD1 3.94Å; F87-L196 HydrophobicContact CZ-CD1 4.04Å; L88-L196 HydrophobicContact CD1-CD1 3.61Å; Y127-L196 HydrophobicContact CD1-CD1 4.29Å; F130-L196 HydrophobicContact CB-CB 4.05Å; F130-L196 HydrophobicContact CB-CD1 4.49Å; L131-L196 WeakPolarHBondContact O-CA 3.34Å; L194-L196 HydrophobicContact CD1-CD2 4.3Å; L194-L196 HydrophobicContact CG-CD2 4.3Å; L196-R205 PolarHBondContact O-N 2.76Å; L196-L206 HydrophobicContact CB-CB 4.09Å; L196-L206 HydrophobicContact CD1-CB 4.5Å; L196-L206 HydrophobicContact CD1-CD2 3.97Å; L196-L206 HydrophobicContact CG-CB 4.26Å; L196-L206 HydrophobicContact CG-CD2 4.24Å; L196-L206 PolarHBondContact N-O 3.26Å; L196-L206 PolarHBondContact O-N 2.78Å |
| 197 | R | 89.3 | Confident | 86.5 | Confident | 104 Ų | 104 | 45.7 Ų | 45.7 | 39% | 0.392 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 135.4 | 172.5 | -73.5 | -179.2 | 178.2 | -93.1 | 3.1 | 111.3 | F130 L131 V195 R199 G202 L203 V204 | F130-R197 CarbonylContact C-O 3.5Å; F130-R197 WeakPolarHBondContact CA-O 3.29Å; L131-R197 PolarHBondContact N-O 2.81Å; L131-R197 PolarHBondContact O-N 3.29Å; V195-R197 HydrophobicContact CG1-CG 4.31Å; R197-R199 PolarHBondContact O-N 3.45Å; R197-G202 PolarHBondContact NH1-O 3.1Å; R197-L203 CarbonylContact C-O 3.41Å; R197-L203 VanDerWaalsContact CA-O 3.27Å; R197-L203 WeakPolarHBondContact CA-O 3.49Å; R197-V204 HydrophobicContact CG-CG2 3.89Å |
| 198 | D | 85.1 | Confident | 86.9 | Confident | 20 Ų | 20 | 45.5 Ų | 45.5 | 11% | 0.107 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 126.1 | 172.8 | -179.8 | -66.6 | 0 | 0 | 0 | 110.8 | F130 F200 T201 G202 L203 R205 | F130-D198 HydrophobicContact CD1-CB 4.36Å; F130-D198 HydrophobicContact CE1-CB 4.43Å; D198-F200 PolarHBondContact O-N 3.2Å; D198-F200 PolarHBondContact OD1-N 3.12Å; D198-T201 VanDerWaalsContact CB-OG1 3.26Å; D198-T201 WeakPolarHBondContact CB-OG1 3.24Å; D198-T201 PolarHBondContact OD1-N 3.02Å; D198-T201 PolarHBondContact OD1-OG1 3.46Å; D198-G202 VanDerWaalsContact O-CA 3.27Å; D198-G202 WeakPolarHBondContact O-CA 3.22Å; D198-G202 PolarHBondContact O-N 3.31Å; D198-L203 PolarHBondContact N-O 3.12Å; D198-R205 HydrophobicContact CB-CG 3.86Å; D198-R205 IonicContact OD2-NE 2.64Å; D198-R205 IonicContact OD2-NH2 3.19Å |
| 199 | R | 81.8 | Confident | 87.4 | Confident | 135 Ų | 135 | 46.8 Ų | 46.8 | 51% | 0.509 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -17.6 | -172.3 | 72.3 | -177.6 | -77.8 | -162.7 | 0.1 | 115 | Y126 N129 R197 | Y126-R199 HydrophobicContact CE1-CB 4.37Å; N129-R199 HydrophobicContact CB-CG 4.25Å; N129-R199 VanDerWaalsContact O-CB 3.26Å; N129-R199 WeakPolarHBondContact O-CB 3.27Å; N129-R199 WeakPolarHBondContact O-CG 3.49Å; N129-R199 PolarHBondContact O-N 2.98Å; N129-R199 WeakPolarHBondContact OD1-CD 3.37Å; N129-R199 PolarHBondContact OD1-NH1 3.01Å; R197-R199 PolarHBondContact O-N 3.45Å |
| 200 | F | 79.4 | Confident | 87.7 | Confident | 149 Ų | 149 | 46.3 Ų | 46.3 | 65% | 0.654 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105 | -30.4 | -174.5 | -60.8 | -66.8 | 0 | 0 | 0 | 111.9 | N129 D198 | N129-F200 HydrophobicContact CB-CE2 4.45Å; D198-F200 PolarHBondContact O-N 3.2Å; D198-F200 PolarHBondContact OD1-N 3.12Å |
| 201 | T | 79.4 | Confident | 87.8 | Confident | 79 Ų | 79 | 45.6 Ų | 45.6 | 49% | 0.485 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -14.1 | -178.9 | 58.9 | 0 | 0 | 0 | 0 | 113.9 | D198 L203 | D198-T201 VanDerWaalsContact CB-OG1 3.26Å; D198-T201 WeakPolarHBondContact CB-OG1 3.24Å; D198-T201 PolarHBondContact OD1-N 3.02Å; D198-T201 PolarHBondContact OD1-OG1 3.46Å; T201-L203 PolarHBondContact O-N 2.66Å; T201-L203 VanDerWaalsContact O-N 3.08Å |
| 202 | G | 77.5 | Confident | 87.6 | Confident | 37 Ų | 37 | 45.8 Ų | 45.8 | 38% | 0.381 | 23% | 0.23 | S | C | . | . | trans | 71.7 | -8.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115 | R197 D198 | R197-G202 PolarHBondContact NH1-O 3.1Å; D198-G202 VanDerWaalsContact O-CA 3.27Å; D198-G202 WeakPolarHBondContact O-CA 3.22Å; D198-G202 PolarHBondContact O-N 3.31Å | ||
| 203 | L | 81.5 | Confident | 87.1 | Confident | 90 Ų | 90 | 44.8 Ų | 44.8 | 47% | 0.471 | 23% | 0.226 | S | C | . | . | trans | -63.5 | 140 | -177.9 | -64.8 | 174.5 | 0 | 0 | 0 | 111.4 | R197 D198 T201 R205 | R197-L203 CarbonylContact C-O 3.41Å; R197-L203 VanDerWaalsContact CA-O 3.27Å; R197-L203 WeakPolarHBondContact CA-O 3.49Å; D198-L203 PolarHBondContact N-O 3.12Å; T201-L203 PolarHBondContact O-N 2.66Å; T201-L203 VanDerWaalsContact O-N 3.08Å; L203-R205 PolarHBondContact O-N 2.87Å | ||
| 204 | V | 85 | Confident | 86.1 | Confident | 49 Ų | 49 | 46 Ų | 46 | 30% | 0.297 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 114.9 | 170.6 | 175.2 | 0 | 0 | 0 | 0 | 107.9 | D83 V195 R197 L206 N207 | D83-V204 WeakPolarHBondContact CB-O 3.34Å; V195-V204 HydrophobicContact CG1-CB 4.44Å; V195-V204 HydrophobicContact CG1-CG1 3.79Å; V195-V204 HydrophobicContact CG1-CG2 3.87Å; R197-V204 HydrophobicContact CG-CG2 3.89Å; V204-L206 WeakPolarHBondContact CG1-O 3.27Å; V204-N207 HydrophobicContact CG1-CB 4.18Å |
| 205 | R | 82.9 | Confident | 84.9 | Confident | 56 Ų | 56 | 47.8 Ų | 47.8 | 21% | 0.211 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -28.7 | 175.7 | -63.4 | -58.6 | -155.4 | 158.5 | 9 | 112.5 | D83 N84 F87 F130 L196 D198 L203 | D83-R205 PolarHBondContact N-O 2.94Å; D83-R205 VanDerWaalsContact N-O 3.11Å; D83-R205 WeakPolarHBondContact OD2-CD 3.26Å; D83-R205 IonicContact OD2-CZ 2.7Å; D83-R205 IonicContact OD2-NE 3.28Å; D83-R205 IonicContact OD2-NH1 3.07Å; D83-R205 PolarHBondContact OD2-NH1 3.29Å; N84-R205 PolarHBondContact ND2-NH1 3.02Å; F87-R205 HydrophobicContact CE1-CB 3.9Å; F87-R205 HydrophobicContact CZ-CB 4.04Å; F130-R205 HydrophobicContact CD1-CG 4.21Å; F130-R205 HydrophobicContact CE1-CB 4.33Å; F130-R205 HydrophobicContact CE1-CG 3.87Å; L196-R205 PolarHBondContact O-N 2.76Å; D198-R205 HydrophobicContact CB-CG 3.86Å; D198-R205 IonicContact OD2-NE 2.64Å; D198-R205 IonicContact OD2-NH2 3.19Å; L203-R205 PolarHBondContact O-N 2.87Å |
| 206 | L | 86.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 135.6 | -178.6 | 177.4 | 53 | 0 | 0 | 0 | 109.7 | S81 Y82 F87 L88 V195 L196 V204 I208 | S81-L206 WeakPolarHBondContact O-CA 3.39Å; Y82-L206 HydrophobicContact CD1-CD1 3.56Å; Y82-L206 HydrophobicContact CE1-CD1 3.28Å; Y82-L206 HydrophobicContact CE1-CD2 4.3Å; Y82-L206 HydrophobicContact CE1-CG 4.34Å; Y82-L206 HydrophobicContact CE2-CD1 4.29Å; Y82-L206 HydrophobicContact CG-CD1 4.17Å; F87-L206 HydrophobicContact CE1-CB 3.9Å; F87-L206 HydrophobicContact CE1-CD2 4.47Å; F87-L206 HydrophobicContact CZ-CB 3.73Å; F87-L206 HydrophobicContact CZ-CD2 4.04Å; L88-L206 HydrophobicContact CB-CD2 4.01Å; L88-L206 HydrophobicContact CD1-CD2 3.92Å; L88-L206 HydrophobicContact CG-CD2 4.43Å; V195-L206 CarbonylContact C-O 3.59Å; V195-L206 WeakPolarHBondContact CA-O 3.07Å; L196-L206 HydrophobicContact CB-CB 4.09Å; L196-L206 HydrophobicContact CD1-CB 4.5Å; L196-L206 HydrophobicContact CD1-CD2 3.97Å; L196-L206 HydrophobicContact CG-CB 4.26Å; L196-L206 HydrophobicContact CG-CD2 4.24Å; L196-L206 PolarHBondContact N-O 3.26Å; L196-L206 PolarHBondContact O-N 2.78Å; V204-L206 WeakPolarHBondContact CG1-O 3.27Å; L206-I208 HydrophobicContact CD1-CD1 3.96Å; L206-I208 HydrophobicContact CD1-CG1 3.55Å; L206-I208 HydrophobicContact CD2-CD1 3.73Å; L206-I208 HydrophobicContact CD2-CG1 4.25Å; L206-I208 HydrophobicContact CG-CD1 3.92Å; L206-I208 HydrophobicContact CG-CG1 3.87Å |
| 207 | N | 91.9 | Very high | 81.1 | Confident | 59 Ų | 59 | 55.3 Ų | 55.3 | 32% | 0.316 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 121.6 | 164.3 | 175.6 | 21.8 | 0 | 0 | 0 | 107.7 | A80 S81 L194 V195 V204 | A80-N207 CarbonylContact C-O 3.57Å; A80-N207 WeakPolarHBondContact CA-O 3.18Å; S81-N207 PolarHBondContact N-O 3.12Å; S81-N207 PolarHBondContact O-N 2.78Å; L194-N207 CarbonylContact O-C 3.55Å; L194-N207 WeakPolarHBondContact O-CA 3.43Å; V195-N207 HydrophobicContact CG2-CB 4.32Å; V195-N207 WeakPolarHBondContact CG2-OD1 3.41Å; V204-N207 HydrophobicContact CG1-CB 4.18Å |
| 208 | I | 91 | Very high | 79 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 136.5 | 178.2 | -59 | 159.6 | 0 | 0 | 0 | 109 | L78 S79 A80 V90 I116 N193 L194 L206 | L78-I208 HydrophobicContact CD1-CG2 3.65Å; S79-I208 CarbonylContact O-C 3.46Å; S79-I208 WeakPolarHBondContact O-CA 3.2Å; A80-I208 HydrophobicContact CB-CG1 3.92Å; V90-I208 HydrophobicContact CG2-CD1 3.63Å; V90-I208 HydrophobicContact CG2-CG1 4.34Å; V90-I208 HydrophobicContact CG2-CG2 4.31Å; I116-I208 HydrophobicContact CD1-CB 3.84Å; I116-I208 HydrophobicContact CD1-CD1 4.13Å; I116-I208 HydrophobicContact CD1-CG2 3.38Å; N193-I208 CarbonylContact C-O 3.54Å; N193-I208 WeakPolarHBondContact CA-O 3.44Å; L194-I208 PolarHBondContact N-O 3.26Å; L194-I208 PolarHBondContact O-N 2.65Å; L206-I208 HydrophobicContact CD1-CD1 3.96Å; L206-I208 HydrophobicContact CD1-CG1 3.55Å; L206-I208 HydrophobicContact CD2-CD1 3.73Å; L206-I208 HydrophobicContact CD2-CG1 4.25Å; L206-I208 HydrophobicContact CG-CD1 3.92Å; L206-I208 HydrophobicContact CG-CG1 3.87Å |
| 209 | T | 93 | Very high | 76.7 | Confident | 33 Ų | 33 | 58 Ų | 58 | 20% | 0.202 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 124.9 | 160.8 | -59.9 | 0 | 0 | 0 | 0 | 108.5 | L78 S79 Q191 N193 | L78-T209 WeakPolarHBondContact CA-O 3.42Å; S79-T209 PolarHBondContact N-O 3.42Å; S79-T209 PolarHBondContact O-N 3.21Å; Q191-T209 HydrophobicContact CG-CG2 3.79Å; Q191-T209 VanDerWaalsContact NE2-CG2 3.34Å; N193-T209 PolarHBondContact OD1-OG1 3.33Å |
| 210 | Y | 92.7 | Very high | 74.7 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 3% | 0.027 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 125.2 | 177.6 | 171.3 | -114.7 | 0 | 0 | 0 | 109.8 | A77 L78 G95 I116 M117 Q191 Y192 T212 | A77-Y210 CarbonylContact O-C 3.57Å; A77-Y210 WeakPolarHBondContact O-CA 3.48Å; L78-Y210 HydrophobicContact CD1-CD2 4.32Å; G95-Y210 PolarHBondContact N-OH 3.4Å; I116-Y210 HydrophobicContact CG2-CD1 3.47Å; I116-Y210 VanDerWaalsContact CG2-CD1 3.47Å; I116-Y210 HydrophobicContact CG2-CE1 4.05Å; I116-Y210 HydrophobicContact CG2-CG 3.94Å; M117-Y210 HydrophobicContact CE-CE1 4.49Å; M117-Y210 HydrophobicContact CG-CE1 4.42Å; M117-Y210 HydrophobicContact SD-CE1 4.38Å; Q191-Y210 CarbonylContact C-O 3.56Å; Y192-Y210 AromaticContact CD2-CD1 3.92Å; Y192-Y210 HydrophobicContact CD2-CD1 3.92Å; Y192-Y210 HydrophobicContact CD2-CE1 4.37Å; Y192-Y210 PolarHBondContact N-O 2.75Å; Y192-Y210 PolarHBondContact O-N 2.85Å; Y210-T212 HydrophobicContact CE1-CG2 4.38Å |
| 211 | N | 89.9 | Confident | 73.2 | Confident | 6 Ų | 6 | 54.3 Ų | 54.3 | 3% | 0.032 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 131 | -178.4 | -60.7 | -64.1 | 0 | 0 | 0 | 110.3 | S76 A77 R189 T190 Q191 | S76-N211 PolarHBondContact O-ND2 3.03Å; A77-N211 PolarHBondContact O-N 3.01Å; R189-N211 PolarHBondContact NH1-ND2 3.5Å; R189-N211 PolarHBondContact NH1-OD1 3.42Å; T190-N211 WeakPolarHBondContact O-CA 3.35Å; Q191-N211 WeakPolarHBondContact CA-OD1 3.24Å; Q191-N211 WeakPolarHBondContact CB-OD1 3.43Å; Q191-N211 WeakPolarHBondContact CG-OD1 3.28Å; Q191-N211 PolarHBondContact OE1-OD1 3.01Å |
| 212 | T | 87.7 | Confident | 71.6 | Confident | 38 Ų | 38 | 58.1 Ų | 58.1 | 23% | 0.233 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 152.4 | 174.9 | -171.6 | 0 | 0 | 0 | 0 | 110.4 | R189 T190 Y192 Y210 | R189-T212 CarbonylContact C-O 3.46Å; R189-T212 WeakPolarHBondContact CA-O 3.15Å; T190-T212 PolarHBondContact N-O 3.36Å; T190-T212 PolarHBondContact O-N 3.29Å; Y192-T212 HydrophobicContact CE2-CG2 4.03Å; Y210-T212 HydrophobicContact CE1-CG2 4.38Å |
| 213 | F | 84.7 | Confident | 70.3 | Confident | 14 Ų | 14 | 63.9 Ų | 63.9 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 145.2 | 176 | -74.5 | -87.3 | 0 | 0 | 0 | 111.2 | H52 I58 L187 G188 R189 | H52-F213 AromaticContact CE1-CD2 3.87Å; H52-F213 AromaticContact CE1-CE2 3.67Å; H52-F213 AromaticContact ND1-CD2 3.8Å; H52-F213 AromaticContact ND1-CE2 3.91Å; H52-F213 AromaticContact NE2-CE2 3.81Å; I58-F213 HydrophobicContact CD1-CE1 4.27Å; I58-F213 HydrophobicContact CD1-CE2 3.7Å; I58-F213 HydrophobicContact CD1-CZ 3.42Å; I58-F213 VanDerWaalsContact CD1-CZ 3.42Å; L187-F213 HydrophobicContact CB-CD1 4.32Å; L187-F213 HydrophobicContact CB-CE1 4.01Å; G188-F213 CarbonylContact O-C 3.41Å; G188-F213 WeakPolarHBondContact O-CA 3.23Å; G188-F213 WeakPolarHBondContact O-CD1 3.27Å; R189-F213 HydrophobicContact CB-CD1 3.93Å; R189-F213 HydrophobicContact CB-CE1 3.63Å; R189-F213 HydrophobicContact CB-CZ 4.12Å; R189-F213 HydrophobicContact CG-CD1 4.24Å; R189-F213 HydrophobicContact CG-CE1 3.83Å; R189-F213 HydrophobicContact CG-CE2 4.2Å; R189-F213 HydrophobicContact CG-CZ 3.79Å |
| 214 | A | 72.7 | Confident | 69.6 | Low | 56 Ų | 56 | 62.4 Ų | 62.4 | 46% | 0.463 | 34% | 0.339 | S | S | . | . | trans | -66.8 | 131 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | G188 L299 | G188-A214 PolarHBondContact O-N 3.39Å; A214-L299 WeakPolarHBondContact O-CD1 3.21Å | ||
| 215 | S | 67.4 | Low | 69.1 | Low | 40 Ų | 40 | 62.8 Ų | 62.8 | 28% | 0.28 | 34% | 0.339 | S | S | . | . | trans | -158.9 | 143.7 | -178 | 60.4 | 0 | 0 | 0 | 0 | 110.8 | L299 | S215-L299 WeakPolarHBondContact CA-O 3.08Š| ||
| 216 | H | 56.2 | Low | 68.9 | Low | 105 Ų | 105 | 60.6 Ų | 60.6 | 49% | 0.486 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -82 | 137.9 | 173.4 | -64.1 | -108.5 | 0 | 0 | 0 | 110.4 | I298 L299 R301 | H216-I298 WeakPolarHBondContact CD2-CG2 3.33Å; H216-L299 PolarHBondContact N-O 3.46Å; H216-R301 PolarHBondContact O-N 3.44Å |
| 217 | T | 47.1 | Very low | 68.5 | Low | 85 Ų | 85 | 65.4 Ų | 65.4 | 52% | 0.521 | 35% | 0.354 | S | S | . | . | trans | -109.6 | 115.4 | 164.2 | 38 | 0 | 0 | 0 | 0 | 108.2 | R301 | T217-R301 HydrophobicContact CG2-CB 4.27Š| ||
| 218 | E | 45.1 | Very low | 68.1 | Low | 116 Ų | 116 | 63.1 Ų | 63.1 | 54% | 0.542 | 34% | 0.341 | S | S | . | . | trans | -127.5 | 134 | 172.6 | -71.5 | 179.7 | 125.6 | 0 | 0 | 107.4 | D220 R300 | E218-D220 PolarHBondContact O-N 3.39Å; E218-D220 VanDerWaalsContact O-N 3.15Å; E218-R300 IonicContact OE2-CZ 3.73Å; E218-R300 IonicContact OE2-NE 3.32Å; E218-R300 PolarHBondContact OE2-NE 3.01Å; E218-R300 IonicContact OE2-NH2 3.72Å; E218-R300 PolarHBondContact OE2-NH2 3.44Å | ||
| 219 | A | 37.7 | Very low | 67.6 | Low | 63 Ų | 63 | 63.1 Ų | 63.1 | 52% | 0.521 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -77.7 | 3.6 | -166.8 | 0 | 0 | 0 | 0 | 0 | 115 | L221 D435 | A219-L221 PolarHBondContact O-N 3.27Å; A219-D435 WeakPolarHBondContact CA-OD2 3.32Å; A219-D435 HydrophobicContact CB-CB 4.17Å; A219-D435 WeakPolarHBondContact CB-OD2 3.28Å |
| 220 | D | 39.6 | Very low | 67.2 | Low | 119 Ų | 119 | 61.7 Ų | 61.7 | 64% | 0.636 | 33% | 0.333 | S | S | * | . | trans | -97.8 | 69.6 | -175 | -77.5 | -46.7 | 0 | 0 | 0 | 112.6 | E218 Q222 | E218-D220 PolarHBondContact O-N 3.39Å; E218-D220 VanDerWaalsContact O-N 3.15Å; D220-Q222 HydrophobicContact CB-CG 4.38Å; D220-Q222 PolarHBondContact O-N 3.42Å; D220-Q222 VanDerWaalsContact O-N 3.12Å; D220-Q222 PolarHBondContact OD1-NE2 3.18Å | ||
| 221 | L | 48 | Very low | 66.6 | Low | 88 Ų | 88 | 61.6 Ų | 61.6 | 46% | 0.461 | 33% | 0.333 | S | S | . | . | trans | -72.6 | 20 | 160.8 | -70.8 | 169.6 | 0 | 0 | 0 | 112.7 | A219 N223 Y224 A303 | A219-L221 PolarHBondContact O-N 3.27Å; L221-N223 PolarHBondContact O-N 3.3Å; L221-Y224 HydrophobicContact CD2-CD1 4.43Å; L221-Y224 HydrophobicContact CD2-CD2 4.37Å; L221-Y224 HydrophobicContact CD2-CG 3.89Å; L221-Y224 PolarHBondContact O-N 3.33Å; L221-A303 HydrophobicContact CD1-CB 4.42Å | ||
| 222 | Q | 44.9 | Very low | 65.5 | Low | 160 Ų | 160 | 62 Ų | 62 | 75% | 0.748 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -22.9 | -175 | -63 | -167.4 | 31.2 | 0 | 0 | 114.1 | D220 | D220-Q222 HydrophobicContact CB-CG 4.38Å; D220-Q222 PolarHBondContact O-N 3.42Å; D220-Q222 VanDerWaalsContact O-N 3.12Å; D220-Q222 PolarHBondContact OD1-NE2 3.18Å |
| 223 | N | 50.9 | Low | 64.8 | Low | 158 Ų | 158 | 63.8 Ų | 63.8 | 85% | 0.845 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.9 | 21.3 | 176.3 | -71.1 | -26.7 | 0 | 0 | 0 | 113.3 | L221 | L221-N223 PolarHBondContact O-N 3.3Š|
| 224 | Y | 66.4 | Low | 64.2 | Low | 58 Ų | 58 | 64 Ų | 64 | 23% | 0.227 | 34% | 0.344 | C | S | . | . | trans | -98.7 | 103.5 | 176.1 | -154.1 | -94.1 | 0 | 0 | 0 | 110.9 | L221 L226 H228 | L221-Y224 HydrophobicContact CD2-CD1 4.43Å; L221-Y224 HydrophobicContact CD2-CD2 4.37Å; L221-Y224 HydrophobicContact CD2-CG 3.89Å; L221-Y224 PolarHBondContact O-N 3.33Å; Y224-L226 VanDerWaalsContact C-N 3.34Å; Y224-L226 HydrophobicContact CD1-CB 4.39Å; Y224-L226 WeakPolarHBondContact CD1-O 3.45Å; Y224-L226 HydrophobicContact CE1-CB 3.85Å; Y224-L226 WeakPolarHBondContact CE1-O 3.31Å; Y224-L226 PolarHBondContact O-N 3.4Å; Y224-H228 AromaticContact CE1-CD2 3.69Å; Y224-H228 AromaticContact CE1-NE2 3.55Å; Y224-H228 AromaticContact CZ-NE2 3.59Å; Y224-H228 PolarHBondContact OH-NE2 3.07Å | ||
| 225 | D | 75 | Confident | 64.6 | Low | 58 Ų | 58 | 62.2 Ų | 62.2 | 31% | 0.31 | 33% | 0.329 | S | S | . | . | trans | -79 | -9.4 | -170.4 | 54.6 | -48.1 | 0 | 0 | 0 | 115 | R63 R64 | R63-D225 IonicContact NH1-OD1 3.98Å; R64-D225 IonicContact CZ-OD2 2.78Å; R64-D225 VanDerWaalsContact CZ-OD2 3.28Å; R64-D225 IonicContact NE-OD2 2.87Å; R64-D225 PolarHBondContact NE-OD2 3.27Å; R64-D225 VanDerWaalsContact NE-OD2 3.14Å; R64-D225 IonicContact NH2-OD2 3.25Å; R64-D225 PolarHBondContact NH2-OD2 2.88Å | ||
| 226 | L | 78.5 | Confident | 65.4 | Low | 10 Ų | 10 | 60.3 Ų | 60.3 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 132.1 | -167.8 | -49.6 | 178.4 | 0 | 0 | 0 | 112.1 | R63 R64 Y224 T238 F239 E240 I245 | R63-L226 HydrophobicContact CB-CD1 3.9Å; R63-L226 HydrophobicContact CG-CD1 3.95Å; R63-L226 WeakPolarHBondContact O-CD1 3.23Å; R64-L226 HydrophobicContact CG-CD1 4.06Å; R64-L226 HydrophobicContact CG-CD2 4.18Å; Y224-L226 VanDerWaalsContact C-N 3.34Å; Y224-L226 HydrophobicContact CD1-CB 4.39Å; Y224-L226 WeakPolarHBondContact CD1-O 3.45Å; Y224-L226 HydrophobicContact CE1-CB 3.85Å; Y224-L226 WeakPolarHBondContact CE1-O 3.31Å; Y224-L226 PolarHBondContact O-N 3.4Å; L226-T238 HydrophobicContact CB-CG2 4.2Å; L226-F239 CarbonylContact C-O 3.54Å; L226-F239 WeakPolarHBondContact CA-O 3.44Å; L226-E240 HydrophobicContact CD2-CB 4.38Å; L226-I245 HydrophobicContact CD2-CD1 3.64Å |
| 227 | Q | 77.8 | Confident | 66.8 | Low | 101 Ų | 101 | 55.3 Ų | 55.3 | 47% | 0.472 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 122.4 | 173 | -176.7 | 171.6 | -19 | 0 | 0 | 110.5 | V229 T238 F239 | Q227-V229 HydrophobicContact CG-CG2 4.46Å; Q227-T238 WeakPolarHBondContact O-CA 3.22Å; Q227-F239 HydrophobicContact CB-CB 4.44Å; Q227-F239 PolarHBondContact N-O 2.68Å; Q227-F239 PolarHBondContact O-N 3.27Å |
| 228 | H | 83.5 | Confident | 68.5 | Low | 10 Ų | 10 | 51.2 Ų | 51.2 | 5% | 0.046 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 132.3 | -179.4 | -63.8 | -64.9 | 0 | 0 | 0 | 112.4 | Y224 L236 T238 M257 | Y224-H228 AromaticContact CE1-CD2 3.69Å; Y224-H228 AromaticContact CE1-NE2 3.55Å; Y224-H228 AromaticContact CZ-NE2 3.59Å; Y224-H228 PolarHBondContact OH-NE2 3.07Å; H228-L236 HydrophobicContact CB-CD1 4.3Å; H228-T238 VanDerWaalsContact CE1-CG2 3.42Å; H228-T238 WeakPolarHBondContact CE1-CG2 3.45Å; H228-T238 PolarHBondContact CE1-OG1 3.4Å; H228-T238 WeakPolarHBondContact ND1-CG2 3.27Å; H228-T238 PolarHBondContact ND1-OG1 3.26Å; H228-M257 HydrophobicContact CB-CE 3.67Å; H228-M257 HydrophobicContact CB-SD 4.03Å |
| 229 | V | 80.7 | Confident | 70.2 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 111.5 | -169.1 | 168.3 | 0 | 0 | 0 | 0 | 109.1 | Q227 I231 V237 F239 Y307 F330 | Q227-V229 HydrophobicContact CG-CG2 4.46Å; V229-I231 HydrophobicContact CG1-CG1 4.29Å; V229-V237 HydrophobicContact CB-CB 4.23Å; V229-V237 HydrophobicContact CG1-CB 4.46Å; V229-V237 PolarHBondContact N-O 3.25Å; V229-V237 PolarHBondContact O-N 3.19Å; V229-F239 HydrophobicContact CB-CE2 4.28Å; V229-F239 HydrophobicContact CG2-CD2 4.15Å; V229-F239 HydrophobicContact CG2-CE2 3.9Å; V229-Y307 HydrophobicContact CB-CE2 4.45Å; V229-Y307 HydrophobicContact CG1-CD2 3.67Å; V229-Y307 HydrophobicContact CG1-CE2 3.96Å; V229-Y307 HydrophobicContact CG2-CE2 4.14Å; V229-F330 HydrophobicContact CB-CZ 4.46Å; V229-F330 HydrophobicContact CG1-CD2 4.44Å; V229-F330 HydrophobicContact CG1-CE1 3.91Å; V229-F330 HydrophobicContact CG1-CE2 3.59Å; V229-F330 HydrophobicContact CG1-CZ 3.28Å; V229-F330 HydrophobicContact CG2-CD1 4.47Å; V229-F330 HydrophobicContact CG2-CE1 4.23Å; V229-F330 HydrophobicContact CG2-CZ 4.37Å |
| 230 | A | 84.1 | Confident | 72.3 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 2% | 0.017 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 145 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L236 V254 F304 T305 T306 Y307 | A230-L236 HydrophobicContact CB-CD1 4.45Å; A230-V254 HydrophobicContact CB-CB 3.93Å; A230-V254 HydrophobicContact CB-CG2 4.16Å; A230-F304 HydrophobicContact CB-CD2 3.72Å; A230-F304 HydrophobicContact CB-CE2 3.94Å; A230-T305 PolarHBondContact N-O 3.41Å; A230-T306 CarbonylContact O-C 3.51Å; A230-T306 WeakPolarHBondContact O-CA 3.45Å; A230-Y307 PolarHBondContact O-N 2.93Å |
| 231 | I | 79.8 | Confident | 74.1 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 147.8 | -177.1 | -53.2 | -179 | 0 | 0 | 0 | 110.8 | V229 Q233 A235 V237 Y307 L309 L326 | V229-I231 HydrophobicContact CG1-CG1 4.29Å; I231-Q233 VanDerWaalsContact C-N 3.34Å; I231-Q233 CarbonylContact C-O 3.59Å; I231-Q233 VanDerWaalsContact C-O 3.28Å; I231-Q233 WeakPolarHBondContact CB-O 3.42Å; I231-Q233 HydrophobicContact CG2-CB 4.35Å; I231-Q233 CarbonylContact O-C 3.51Å; I231-A235 PolarHBondContact N-O 2.77Å; I231-V237 HydrophobicContact CD1-CG2 3.64Å; I231-V237 HydrophobicContact CG1-CG2 4.34Å; I231-Y307 WeakPolarHBondContact CA-O 3.31Å; I231-L309 HydrophobicContact CD1-CD1 4.42Å; I231-L326 HydrophobicContact CD1-CD1 4.37Å; I231-L326 HydrophobicContact CD1-CD2 3.53Å |
| 232 | T | 68.8 | Low | 75.1 | Confident | 13 Ų | 13 | 43.2 Ų | 43.2 | 8% | 0.08 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -26.8 | 179.3 | 52.9 | 0 | 0 | 0 | 0 | 114.2 | P234 T306 Y307 A308 Y341 | T232-P234 WeakPolarHBondContact O-CD 3.44Å; T232-T306 HydrophobicContact CG2-CG2 3.97Å; T232-Y307 PolarHBondContact N-O 3.26Å; T232-A308 HydrophobicContact CG2-CB 4.02Å; T232-Y341 HydrophobicContact CG2-CD2 3.76Å; T232-Y341 HydrophobicContact CG2-CE2 4.24Å; T232-Y341 HydrophobicContact CG2-CG 3.96Å |
| 233 | Q | 71.5 | Confident | 76.4 | Confident | 77 Ų | 77 | 41.7 Ų | 41.7 | 36% | 0.36 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 115.5 | 151.8 | -70.2 | -175.9 | 2.4 | 0 | 0 | 105.9 | I231 A235 H312 | I231-Q233 VanDerWaalsContact C-N 3.34Å; I231-Q233 CarbonylContact C-O 3.59Å; I231-Q233 VanDerWaalsContact C-O 3.28Å; I231-Q233 WeakPolarHBondContact CB-O 3.42Å; I231-Q233 HydrophobicContact CG2-CB 4.35Å; I231-Q233 CarbonylContact O-C 3.51Å; Q233-A235 PolarHBondContact O-N 3.4Å; Q233-H312 PolarHBondContact NE2-CE1 3.21Å; Q233-H312 PolarHBondContact NE2-NE2 3.04Å |
| 234 | P | 73.3 | Confident | 77.7 | Confident | 18 Ų | 18 | 35.4 Ų | 35.4 | 12% | 0.117 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 98.8 | -160.3 | -25.2 | 35.5 | 0 | 0 | 0 | 114.9 | T232 L250 P253 W414 | T232-P234 WeakPolarHBondContact O-CD 3.44Å; P234-L250 HydrophobicContact CB-CB 4.46Å; P234-L250 WeakPolarHBondContact CB-O 3.27Å; P234-L250 PolarHBondContact O-N 2.85Å; P234-P253 HydrophobicContact CG-CG 4.17Å; P234-W414 HydrophobicContact CB-CZ3 4.06Å; P234-W414 HydrophobicContact CG-CE3 4.43Å; P234-W414 HydrophobicContact CG-CZ3 3.97Å |
| 235 | A | 81.2 | Confident | 78.4 | Confident | 18 Ų | 18 | 35.2 Ų | 35.2 | 15% | 0.149 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 157.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | I231 Q233 L248 | I231-A235 PolarHBondContact N-O 2.77Å; Q233-A235 PolarHBondContact O-N 3.4Å; A235-L248 CarbonylContact C-O 3.34Å; A235-L248 VanDerWaalsContact CA-O 3.31Å; A235-L248 WeakPolarHBondContact CA-O 3.49Å |
| 236 | L | 84.5 | Confident | 78.9 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 124.5 | 170.5 | 179.8 | 69.7 | 0 | 0 | 0 | 109.4 | I51 H228 A230 W246 S247 L248 L250 V254 M257 | I51-L236 HydrophobicContact CD1-CD2 3.4Å; I51-L236 VanDerWaalsContact CD1-CD2 3.4Å; I51-L236 HydrophobicContact CG1-CD2 3.89Å; H228-L236 HydrophobicContact CB-CD1 4.3Å; A230-L236 HydrophobicContact CB-CD1 4.45Å; L236-W246 HydrophobicContact CD2-CH2 3.8Å; L236-W246 HydrophobicContact CD2-CZ3 4.03Å; L236-W246 HydrophobicContact CG-CH2 4.31Å; L236-W246 HydrophobicContact CG-CZ3 4.17Å; L236-S247 CarbonylContact O-C 3.54Å; L236-S247 VanDerWaalsContact O-CA 3.3Å; L236-S247 WeakPolarHBondContact O-CA 3.37Å; L236-S247 PolarHBondContact O-OG 3.01Å; L236-L248 PolarHBondContact N-O 3.33Å; L236-L248 PolarHBondContact O-N 3.42Å; L236-L250 HydrophobicContact CB-CD1 4.19Å; L236-V254 HydrophobicContact CB-CG2 4.37Å; L236-M257 HydrophobicContact CD1-CE 4.01Å; L236-M257 HydrophobicContact CD1-SD 3.54Å; L236-M257 VanDerWaalsContact CD1-SD 3.54Å; L236-M257 HydrophobicContact CD2-CE 3.61Å; L236-M257 HydrophobicContact CD2-SD 4.01Å; L236-M257 HydrophobicContact CG-CE 4.43Å; L236-M257 HydrophobicContact CG-SD 4.45Å |
| 237 | V | 83.9 | Confident | 79 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 141.9 | -177.1 | -167.5 | 0 | 0 | 0 | 0 | 109.1 | V229 I231 F239 L244 L326 | V229-V237 HydrophobicContact CB-CB 4.23Å; V229-V237 HydrophobicContact CG1-CB 4.46Å; V229-V237 PolarHBondContact N-O 3.25Å; V229-V237 PolarHBondContact O-N 3.19Å; I231-V237 HydrophobicContact CD1-CG2 3.64Å; I231-V237 HydrophobicContact CG1-CG2 4.34Å; V237-F239 HydrophobicContact CB-CE2 4.17Å; V237-F239 HydrophobicContact CG1-CD2 4.45Å; V237-F239 HydrophobicContact CG1-CE2 3.59Å; V237-F239 HydrophobicContact CG1-CZ 3.71Å; V237-L244 HydrophobicContact CG1-CD1 3.33Å; V237-L326 HydrophobicContact CG1-CD1 4.39Å; V237-L326 HydrophobicContact CG2-CD1 3.98Å |
| 238 | T | 84 | Confident | 79.3 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 132.3 | -174.4 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | L226 Q227 H228 I245 W246 | L226-T238 HydrophobicContact CB-CG2 4.2Å; Q227-T238 WeakPolarHBondContact O-CA 3.22Å; H228-T238 VanDerWaalsContact CE1-CG2 3.42Å; H228-T238 WeakPolarHBondContact CE1-CG2 3.45Å; H228-T238 PolarHBondContact CE1-OG1 3.4Å; H228-T238 WeakPolarHBondContact ND1-CG2 3.27Å; H228-T238 PolarHBondContact ND1-OG1 3.26Å; T238-I245 HydrophobicContact CG2-CD1 4.03Å; T238-I245 PolarHBondContact O-N 3.01Å; T238-W246 VanDerWaalsContact CB-CE2 3.44Å; T238-W246 HydrophobicContact CG2-CZ2 4.06Å; T238-W246 PolarHBondContact N-O 2.9Å; T238-W246 PolarHBondContact O-N 3.38Å; T238-W246 VanDerWaalsContact OG1-CE2 3.23Å; T238-W246 WeakPolarHBondContact OG1-CH2 3.15Å; T238-W246 WeakPolarHBondContact OG1-CZ2 3.47Å |
| 239 | F | 79.6 | Confident | 79.3 | Confident | 6 Ų | 6 | 34.2 Ų | 34.2 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 147.4 | -177.6 | -57.1 | -97.5 | 0 | 0 | 0 | 111.9 | L226 Q227 V229 V237 K243 L244 F330 | L226-F239 CarbonylContact C-O 3.54Å; L226-F239 WeakPolarHBondContact CA-O 3.44Å; Q227-F239 HydrophobicContact CB-CB 4.44Å; Q227-F239 PolarHBondContact N-O 2.68Å; Q227-F239 PolarHBondContact O-N 3.27Å; V229-F239 HydrophobicContact CB-CE2 4.28Å; V229-F239 HydrophobicContact CG2-CD2 4.15Å; V229-F239 HydrophobicContact CG2-CE2 3.9Å; V237-F239 HydrophobicContact CB-CE2 4.17Å; V237-F239 HydrophobicContact CG1-CD2 4.45Å; V237-F239 HydrophobicContact CG1-CE2 3.59Å; V237-F239 HydrophobicContact CG1-CZ 3.71Å; F239-K243 CarbonylContact C-O 3.46Å; F239-K243 WeakPolarHBondContact CA-O 3.35Å; F239-L244 HydrophobicContact CD1-CB 4.06Å; F239-L244 HydrophobicContact CD1-CD1 4.29Å; F239-L244 HydrophobicContact CE1-CB 3.96Å; F239-L244 HydrophobicContact CE1-CD1 3.91Å; F239-L244 HydrophobicContact CZ-CD1 4.06Å; F239-F330 HydrophobicContact CE1-CB 4.33Å; F239-F330 HydrophobicContact CE2-CB 4.48Å; F239-F330 HydrophobicContact CE2-CD2 4.04Å; F239-F330 HydrophobicContact CE2-CG 4.28Å; F239-F330 HydrophobicContact CZ-CB 4.02Å; F239-F330 AromaticContact CZ-CD2 3.7Å; F239-F330 HydrophobicContact CZ-CD2 3.7Å; F239-F330 HydrophobicContact CZ-CG 4.07Å |
| 240 | E | 82.7 | Confident | 79.5 | Confident | 73 Ų | 73 | 34.5 Ų | 34.5 | 34% | 0.341 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 98.9 | 167.1 | -176.3 | 172.8 | -140.9 | 0 | 0 | 106.8 | R64 L226 S242 K243 I245 | R64-E240 IonicContact CZ-OE1 3.99Å; R64-E240 IonicContact NH1-OE1 2.86Å; R64-E240 PolarHBondContact NH1-OE1 3.49Å; R64-E240 IonicContact NH2-OE1 3.8Å; R64-E240 PolarHBondContact NH2-OE1 3.4Å; L226-E240 HydrophobicContact CD2-CB 4.38Å; E240-S242 PolarHBondContact O-N 3.4Å; E240-K243 PolarHBondContact N-O 3.02Å; E240-K243 PolarHBondContact O-N 2.92Å; E240-K243 VanDerWaalsContact O-N 3.15Å; E240-I245 HydrophobicContact CB-CD1 3.65Å; E240-I245 HydrophobicContact CB-CG1 3.92Å |
| 241 | G | 76.4 | Confident | 79.2 | Confident | 59 Ų | 59 | 37.6 Ų | 37.6 | 61% | 0.608 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | -124.5 | -164.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K243 | G241-K243 VanDerWaalsContact C-N 3.35Š|
| 242 | S | 70.1 | Confident | 79.4 | Confident | 80 Ų | 80 | 38 Ų | 38 | 56% | 0.559 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -14.5 | 175.4 | 49.7 | 0 | 0 | 0 | 0 | 114.6 | E240 N331 | E240-S242 PolarHBondContact O-N 3.4Å; S242-N331 WeakPolarHBondContact CB-OD1 3.41Å; S242-N331 PolarHBondContact O-ND2 3.38Å |
| 243 | K | 71.3 | Confident | 80.2 | Confident | 128 Ų | 128 | 37.8 Ų | 37.8 | 56% | 0.557 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 126.3 | -167.5 | -173.7 | -163.4 | 167.6 | -168.9 | 0 | 111.3 | F239 E240 G241 E327 | F239-K243 CarbonylContact C-O 3.46Å; F239-K243 WeakPolarHBondContact CA-O 3.35Å; E240-K243 PolarHBondContact N-O 3.02Å; E240-K243 PolarHBondContact O-N 2.92Å; E240-K243 VanDerWaalsContact O-N 3.15Å; G241-K243 VanDerWaalsContact C-N 3.35Å; K243-E327 WeakPolarHBondContact CA-OE1 3.4Å |
| 244 | L | 77.8 | Confident | 81 | Confident | 26 Ų | 26 | 34.2 Ų | 34.2 | 14% | 0.136 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 139 | 170 | 179.8 | 70.1 | 0 | 0 | 0 | 111.6 | V237 F239 Y323 E327 | V237-L244 HydrophobicContact CG1-CD1 3.33Å; F239-L244 HydrophobicContact CD1-CB 4.06Å; F239-L244 HydrophobicContact CD1-CD1 4.29Å; F239-L244 HydrophobicContact CE1-CB 3.96Å; F239-L244 HydrophobicContact CE1-CD1 3.91Å; F239-L244 HydrophobicContact CZ-CD1 4.06Å; L244-Y323 VanDerWaalsContact CD2-CB 3.48Å; L244-Y323 HydrophobicContact CD2-CD1 3.38Å; L244-Y323 HydrophobicContact CD2-CE1 4.2Å; L244-Y323 HydrophobicContact CD2-CG 3.57Å; L244-E327 PolarHBondContact N-OE1 3.24Å |
| 245 | I | 81.7 | Confident | 81.7 | Confident | 53 Ų | 53 | 33.7 Ų | 33.7 | 27% | 0.272 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | -45.9 | 175 | -32.9 | 172.9 | 0 | 0 | 0 | 111.8 | R64 L226 T238 E240 | R64-I245 VanDerWaalsContact O-CG2 3.28Å; R64-I245 WeakPolarHBondContact O-CG2 3.48Å; L226-I245 HydrophobicContact CD2-CD1 3.64Å; T238-I245 HydrophobicContact CG2-CD1 4.03Å; T238-I245 PolarHBondContact O-N 3.01Å; E240-I245 HydrophobicContact CB-CD1 3.65Å; E240-I245 HydrophobicContact CB-CG1 3.92Å |
| 246 | W | 85.3 | Confident | 82 | Confident | 14 Ų | 14 | 32.8 Ų | 32.8 | 5% | 0.053 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 157.9 | -177.6 | 55.1 | -95.3 | 0 | 0 | 0 | 112.5 | I49 V61 R63 G66 L236 T238 L248 | I49-W246 HydrophobicContact CD1-CH2 4.38Å; I49-W246 HydrophobicContact CD1-CZ2 4.38Å; V61-W246 HydrophobicContact CG1-CH2 4.04Å; V61-W246 HydrophobicContact CG1-CZ2 4.3Å; R63-W246 PolarHBondContact O-NE1 2.88Å; G66-W246 VanDerWaalsContact N-CD1 3.33Å; L236-W246 HydrophobicContact CD2-CH2 3.8Å; L236-W246 HydrophobicContact CD2-CZ3 4.03Å; L236-W246 HydrophobicContact CG-CH2 4.31Å; L236-W246 HydrophobicContact CG-CZ3 4.17Å; T238-W246 VanDerWaalsContact CB-CE2 3.44Å; T238-W246 HydrophobicContact CG2-CZ2 4.06Å; T238-W246 PolarHBondContact N-O 2.9Å; T238-W246 PolarHBondContact O-N 3.38Å; T238-W246 VanDerWaalsContact OG1-CE2 3.23Å; T238-W246 WeakPolarHBondContact OG1-CH2 3.15Å; T238-W246 WeakPolarHBondContact OG1-CZ2 3.47Å; W246-L248 HydrophobicContact CE3-CB 4.16Å; W246-L248 HydrophobicContact CZ3-CB 3.87Å |
| 247 | S | 81.1 | Confident | 82.1 | Confident | 29 Ų | 29 | 32.8 Ų | 32.8 | 20% | 0.203 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 152.4 | 160.1 | -174 | 0 | 0 | 0 | 0 | 110.4 | L236 | L236-S247 CarbonylContact O-C 3.54Å; L236-S247 VanDerWaalsContact O-CA 3.3Å; L236-S247 WeakPolarHBondContact O-CA 3.37Å; L236-S247 PolarHBondContact O-OG 3.01Å |
| 248 | L | 84.6 | Confident | 82.2 | Confident | 22 Ų | 22 | 33.3 Ų | 33.3 | 12% | 0.115 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 110.1 | 175.7 | 178.9 | 61.8 | 0 | 0 | 0 | 109.1 | I51 L59 V61 V68 A235 L236 W246 L250 | I51-L248 HydrophobicContact CD1-CD2 3.74Å; L59-L248 HydrophobicContact CD2-CD2 4.39Å; V61-L248 HydrophobicContact CG1-CD2 4.28Å; V61-L248 HydrophobicContact CG2-CD2 3.8Å; V68-L248 HydrophobicContact CG2-CD1 3.7Å; V68-L248 HydrophobicContact CG2-CD2 3.84Å; V68-L248 HydrophobicContact CG2-CG 4.45Å; A235-L248 CarbonylContact C-O 3.34Å; A235-L248 VanDerWaalsContact CA-O 3.31Å; A235-L248 WeakPolarHBondContact CA-O 3.49Å; L236-L248 PolarHBondContact N-O 3.33Å; L236-L248 PolarHBondContact O-N 3.42Å; W246-L248 HydrophobicContact CE3-CB 4.16Å; W246-L248 HydrophobicContact CZ3-CB 3.87Å; L248-L250 HydrophobicContact CD2-CD2 3.95Å; L248-L250 HydrophobicContact CG-CD2 3.94Å; L248-L250 HydrophobicContact CG-CG 4.49Å |
| 249 | P | 82.4 | Confident | 82.1 | Confident | 94 Ų | 94 | 34.4 Ų | 34.4 | 61% | 0.61 | 21% | 0.211 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 141.8 | 169.7 | 28.9 | -33.5 | 0 | 0 | 0 | 110.8 | ||
| 250 | L | 84.6 | Confident | 81.9 | Confident | 7 Ų | 7 | 34.5 Ų | 34.5 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | trans | -129.5 | 158.4 | -171.9 | -63.4 | 171.1 | 0 | 0 | 0 | 110.6 | I51 T53 L59 P234 L236 L248 S252 V254 W414 | I51-L250 HydrophobicContact CG2-CD1 4.15Å; T53-L250 HydrophobicContact CG2-CB 4.47Å; T53-L250 HydrophobicContact CG2-CD1 4.36Å; L59-L250 HydrophobicContact CD1-CD2 3.94Å; L59-L250 HydrophobicContact CD2-CD2 3.71Å; L59-L250 HydrophobicContact CG-CD2 4.49Å; P234-L250 HydrophobicContact CB-CB 4.46Å; P234-L250 WeakPolarHBondContact CB-O 3.27Å; P234-L250 PolarHBondContact O-N 2.85Å; L236-L250 HydrophobicContact CB-CD1 4.19Å; L248-L250 HydrophobicContact CD2-CD2 3.95Å; L248-L250 HydrophobicContact CG-CD2 3.94Å; L248-L250 HydrophobicContact CG-CG 4.49Å; L250-S252 VanDerWaalsContact C-N 3.31Å; L250-S252 PolarHBondContact O-N 3.02Å; L250-V254 HydrophobicContact CD1-CG2 3.36Å; L250-W414 WeakPolarHBondContact O-CH2 3.48Å; L250-W414 WeakPolarHBondContact O-CZ3 3.37Å | ||
| 251 | S | 79.8 | Confident | 81.2 | Confident | 67 Ų | 67 | 34.6 Ų | 34.6 | 47% | 0.469 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -74.2 | -22 | -179.2 | 80.6 | 0 | 0 | 0 | 0 | 114.1 | E57 | E57-S251 VanDerWaalsContact CD-OG 3.31Å; E57-S251 WeakPolarHBondContact OE2-CB 3.43Å; E57-S251 PolarHBondContact OE2-N 2.88Å; E57-S251 PolarHBondContact OE2-OG 2.71Å |
| 252 | S | 83.6 | Confident | 80.5 | Confident | 13 Ų | 13 | 32.3 Ų | 32.3 | 9% | 0.091 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -157.2 | 160.2 | -176.4 | 66.2 | 0 | 0 | 0 | 0 | 111.5 | T53 G55 L250 | T53-S252 WeakPolarHBondContact CB-OG 3.26Å; T53-S252 PolarHBondContact OG1-OG 3.25Å; G55-S252 PolarHBondContact N-OG 2.99Å; L250-S252 VanDerWaalsContact C-N 3.31Å; L250-S252 PolarHBondContact O-N 3.02Å |
| 253 | P | 85.3 | Confident | 79.7 | Confident | 9 Ų | 9 | 29.7 Ų | 29.7 | 6% | 0.058 | 16% | 0.164 | C | C | . | . | trans | -57.7 | 145.6 | -171.1 | -26.9 | 35 | 0 | 0 | 0 | 114.4 | T53 L54 P234 L353 | T53-P253 CarbonylContact C-O 3.58Å; T53-P253 WeakPolarHBondContact CA-O 3.49Å; L54-P253 PolarHBondContact N-O 2.92Å; P234-P253 HydrophobicContact CG-CG 4.17Å; P253-L353 HydrophobicContact CB-CD1 3.95Å; P253-L353 HydrophobicContact CG-CD1 4.33Å | ||
| 254 | V | 87.5 | Confident | 78.6 | Confident | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 136.2 | 172.2 | -175.5 | 0 | 0 | 0 | 0 | 110 | I51 A230 L236 L250 M257 F304 | I51-V254 HydrophobicContact CG2-CG1 4.03Å; I51-V254 HydrophobicContact CG2-CG2 3.97Å; A230-V254 HydrophobicContact CB-CB 3.93Å; A230-V254 HydrophobicContact CB-CG2 4.16Å; L236-V254 HydrophobicContact CB-CG2 4.37Å; L250-V254 HydrophobicContact CD1-CG2 3.36Å; V254-M257 HydrophobicContact CG1-CG 3.72Å; V254-M257 HydrophobicContact CG1-SD 4.32Å; V254-F304 HydrophobicContact CB-CE2 4.11Å; V254-F304 HydrophobicContact CG1-CD2 4.25Å; V254-F304 HydrophobicContact CG1-CE1 4.37Å; V254-F304 HydrophobicContact CG1-CE2 3.81Å; V254-F304 HydrophobicContact CG1-CZ 3.9Å |
| 255 | I | 87.9 | Confident | 77 | Confident | 6 Ų | 6 | 28.8 Ų | 28.8 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | -17.6 | 177.6 | 55.1 | 162.5 | 0 | 0 | 0 | 113.2 | H52 L54 A77 P92 V93 R301 | H52-I255 VanDerWaalsContact O-CG1 3.24Å; H52-I255 WeakPolarHBondContact O-CG1 3.39Å; H52-I255 PolarHBondContact O-N 3.43Å; L54-I255 HydrophobicContact CB-CG2 4.2Å; A77-I255 HydrophobicContact CB-CD1 3.05Å; P92-I255 HydrophobicContact CB-CG2 4.17Å; P92-I255 HydrophobicContact CG-CG2 3.89Å; V93-I255 HydrophobicContact CG2-CB 4.12Å; V93-I255 HydrophobicContact CG2-CG2 3.99Å; I255-R301 PolarHBondContact O-NH2 2.95Å |
| 256 | G | 87 | Confident | 75 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 141.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | H52 | H52-G256 PolarHBondContact N-O 3.13Å; H52-G256 PolarHBondContact O-N 2.66Å |
| 257 | M | 87.3 | Confident | 72.6 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 139.6 | 168.6 | -68.7 | -175.7 | 62.1 | 0 | 0 | 107.4 | I49 L50 H228 L236 V254 I302 F304 | I49-M257 HydrophobicContact CD1-CE 3.86Å; L50-M257 CarbonylContact O-C 3.52Å; L50-M257 WeakPolarHBondContact O-CA 3.19Å; H228-M257 HydrophobicContact CB-CE 3.67Å; H228-M257 HydrophobicContact CB-SD 4.03Å; L236-M257 HydrophobicContact CD1-CE 4.01Å; L236-M257 HydrophobicContact CD1-SD 3.54Å; L236-M257 VanDerWaalsContact CD1-SD 3.54Å; L236-M257 HydrophobicContact CD2-CE 3.61Å; L236-M257 HydrophobicContact CD2-SD 4.01Å; L236-M257 HydrophobicContact CG-CE 4.43Å; L236-M257 HydrophobicContact CG-SD 4.45Å; V254-M257 HydrophobicContact CG1-CG 3.72Å; V254-M257 HydrophobicContact CG1-SD 4.32Å; M257-I302 HydrophobicContact CB-CB 3.93Å; M257-I302 HydrophobicContact CB-CD1 4.4Å; M257-I302 PolarHBondContact O-N 3.16Å; M257-F304 HydrophobicContact CB-CD1 4.17Å; M257-F304 HydrophobicContact CG-CD1 3.99Å; M257-F304 HydrophobicContact CG-CE1 4.5Å; M257-F304 HydrophobicContact CG-CG 4.21Å; M257-F304 HydrophobicContact SD-CB 3.68Å; M257-F304 HydrophobicContact SD-CD1 4.24Å; M257-F304 HydrophobicContact SD-CD2 4.46Å; M257-F304 HydrophobicContact SD-CG 3.88Å |
| 258 | Y | 86.1 | Confident | 70.1 | Confident | 10 Ų | 10 | 38.1 Ų | 38.1 | 4% | 0.039 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 133.7 | -174.4 | -49 | -90.2 | 0 | 0 | 0 | 111.3 | I49 L50 H52 L299 R300 R301 | I49-Y258 CarbonylContact C-O 3.56Å; I49-Y258 WeakPolarHBondContact CA-O 3.32Å; L50-Y258 PolarHBondContact N-O 3.01Å; L50-Y258 PolarHBondContact O-N 3.22Å; H52-Y258 HydrophobicContact CB-CE2 4.08Å; Y258-L299 HydrophobicContact CG-CD2 4.17Å; Y258-R300 CarbonylContact C-O 3.55Å; Y258-R300 WeakPolarHBondContact CA-O 3.47Å; Y258-R301 HydrophobicContact CD1-CB 4.13Å; Y258-R301 HydrophobicContact CD1-CG 4.15Å; Y258-R301 HydrophobicContact CE1-CB 4.21Å; Y258-R301 HydrophobicContact CE1-CG 3.92Å |
| 259 | A | 82.2 | Confident | 67.4 | Low | 24 Ų | 24 | 42.4 Ų | 42.4 | 20% | 0.198 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 149.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | R300 I302 | A259-R300 PolarHBondContact N-O 2.83Å; A259-R300 PolarHBondContact O-N 3.36Å; A259-I302 HydrophobicContact CB-CD1 4.09Å; A259-I302 HydrophobicContact CB-CG1 4.07Å |
| 260 | L | 75.6 | Confident | 64.8 | Low | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.037 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 119.7 | 175.8 | -73.3 | 142.9 | 0 | 0 | 0 | 108.5 | L50 M145 I185 R297 | L50-L260 HydrophobicContact CD1-CD1 3.94Å; L50-L260 HydrophobicContact CD1-CD2 4.09Å; L50-L260 HydrophobicContact CD1-CG 4.16Å; L50-L260 HydrophobicContact CD2-CD1 4.47Å; L50-L260 HydrophobicContact CG-CD1 3.87Å; L50-L260 HydrophobicContact CG-CG 4.49Å; M145-L260 HydrophobicContact CE-CB 4.47Å; M145-L260 HydrophobicContact CE-CD1 3.85Å; M145-L260 HydrophobicContact CE-CD2 4.15Å; M145-L260 HydrophobicContact CE-CG 4.36Å; M145-L260 HydrophobicContact SD-CD1 4.04Å; I185-L260 HydrophobicContact CD1-CD1 4.36Å; I185-L260 HydrophobicContact CD1-CD2 3.94Å; I185-L260 HydrophobicContact CG1-CD2 4.26Å; I185-L260 HydrophobicContact CG2-CD2 3.78Å; L260-R297 HydrophobicContact CD2-CB 4.35Å |
| 261 | W | 67.3 | Low | 62.2 | Low | 75 Ų | 75 | 51.6 Ų | 51.6 | 28% | 0.284 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 137.2 | -177.8 | -177.9 | 68.2 | 0 | 0 | 0 | 111.3 | P263 R297 I298 R300 | W261-P263 HydrophobicContact CE3-CG 4.43Å; W261-P263 HydrophobicContact CH2-CB 4.12Å; W261-P263 HydrophobicContact CH2-CG 4.4Å; W261-P263 HydrophobicContact CZ3-CB 4.18Å; W261-P263 HydrophobicContact CZ3-CG 3.94Å; W261-R297 WeakPolarHBondContact O-CA 3.32Å; W261-I298 HydrophobicContact CE3-CB 4.31Å; W261-I298 HydrophobicContact CE3-CD1 4.19Å; W261-I298 HydrophobicContact CZ3-CD1 4.13Å; W261-I298 PolarHBondContact N-O 3.1Å; W261-I298 PolarHBondContact O-N 2.92Å; W261-R300 HydrophobicContact CB-CG 4.28Å |
| 262 | S | 61.6 | Low | 59.6 | Low | 12 Ų | 12 | 53.3 Ų | 53.3 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | trans | -106.3 | 132.5 | 171.1 | -173.9 | 0 | 0 | 0 | 0 | 110.2 | S264 D265 | S262-S264 WeakPolarHBondContact CB-OG 3.5Å; S262-S264 PolarHBondContact O-N 3.49Å; S262-S264 PolarHBondContact OG-OG 3.01Å; S262-D265 WeakPolarHBondContact CB-OD2 3.43Å | ||
| 263 | P | 54 | Low | 57 | Low | 25 Ų | 25 | 58.7 Ų | 58.7 | 16% | 0.162 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -60.6 | -26.1 | 177 | -24.3 | 34.1 | 0 | 0 | 0 | 114.2 | W261 D265 S266 L295 | W261-P263 HydrophobicContact CE3-CG 4.43Å; W261-P263 HydrophobicContact CH2-CB 4.12Å; W261-P263 HydrophobicContact CH2-CG 4.4Å; W261-P263 HydrophobicContact CZ3-CB 4.18Å; W261-P263 HydrophobicContact CZ3-CG 3.94Å; P263-D265 PolarHBondContact O-N 3.1Å; P263-S266 PolarHBondContact O-N 3.02Å; P263-S266 PolarHBondContact O-OG 3.01Å; P263-L295 HydrophobicContact CB-CD1 4.04Å; P263-L295 HydrophobicContact CG-CB 4.2Å; P263-L295 HydrophobicContact CG-CD1 4.37Å |
| 264 | S | 48 | Very low | 54.3 | Low | 53 Ų | 53 | 65.2 Ų | 65.2 | 37% | 0.371 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -53.2 | -35.2 | -178.3 | 48.4 | 0 | 0 | 0 | 0 | 114 | S262 S266 S267 | S262-S264 WeakPolarHBondContact CB-OG 3.5Å; S262-S264 PolarHBondContact O-N 3.49Å; S262-S264 PolarHBondContact OG-OG 3.01Å; S264-S266 PolarHBondContact O-N 3.47Å; S264-S266 VanDerWaalsContact O-N 3.13Å; S264-S267 PolarHBondContact O-N 2.95Å; S264-S267 VanDerWaalsContact O-N 3.15Å; S264-S267 PolarHBondContact O-OG 3.26Å |
| 265 | D | 44.3 | Very low | 51.6 | Low | 82 Ų | 82 | 72.8 Ų | 72.8 | 44% | 0.439 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -83.1 | -1.2 | -161.8 | -44.5 | -35 | 0 | 0 | 0 | 111.9 | S262 P263 | S262-D265 WeakPolarHBondContact CB-OD2 3.43Å; P263-D265 PolarHBondContact O-N 3.1Å |
| 266 | S | 39.6 | Very low | 48.8 | Very low | 92 Ų | 92 | 78.2 Ų | 78.2 | 64% | 0.643 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -80.1 | -11.5 | 169.5 | 65.6 | 0 | 0 | 0 | 0 | 114.1 | P263 S264 | P263-S266 PolarHBondContact O-N 3.02Å; P263-S266 PolarHBondContact O-OG 3.01Å; S264-S266 PolarHBondContact O-N 3.47Å; S264-S266 VanDerWaalsContact O-N 3.13Å |
| 267 | S | 34.1 | Very low | 46.2 | Very low | 97 Ų | 97 | 85.6 Ų | 85.6 | 68% | 0.678 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -95.8 | -5.4 | -172.6 | 68.2 | 0 | 0 | 0 | 0 | 116.3 | S264 | S264-S267 PolarHBondContact O-N 2.95Å; S264-S267 VanDerWaalsContact O-N 3.15Å; S264-S267 PolarHBondContact O-OG 3.26Å |
| 268 | S | 30.1 | Very low | 43.5 | Very low | 102 Ų | 102 | 93.7 Ų | 93.7 | 71% | 0.713 | 55% | 0.548 | S | S | * | . | trans | -110.5 | 61.8 | -168.5 | 61.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 269 | S | 28.1 | Very low | 41.1 | Very low | 112 Ų | 112 | 98.5 Ų | 98.5 | 78% | 0.783 | 58% | 0.583 | S | S | * | * | trans | -144 | 25.3 | 172.8 | 62.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 270 | V | 27.6 | Very low | 38.5 | Very low | 122 Ų | 122 | 103.9 Ų | 103.9 | 74% | 0.739 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -120.9 | 112.6 | 176.1 | -177.5 | 0 | 0 | 0 | 0 | 111.3 | ||
| 271 | H | 29 | Very low | 36.5 | Very low | 173 Ų | 173 | 111 Ų | 111 | 80% | 0.801 | 65% | 0.645 | S | S | * | * | trans | 45.4 | 111.1 | 166.4 | -65.6 | -63 | 0 | 0 | 0 | 120.5 | ||||
| 272 | A | 26.1 | Very low | 34.7 | Very low | 102 Ų | 102 | 114.5 Ų | 114.5 | 84% | 0.843 | 67% | 0.669 | S | S | * | * | trans | -148.5 | 60.7 | 150.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 273 | T | 29.4 | Very low | 33 | Very low | 127 Ų | 127 | 119.1 Ų | 119.1 | 78% | 0.779 | 70% | 0.701 | S | S | * | * | trans | -100.2 | 125.1 | 155.6 | 49.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 274 | N | 28.6 | Very low | 31.7 | Very low | 146 Ų | 146 | 125.3 Ų | 125.3 | 78% | 0.781 | 73% | 0.733 | S | S | * | * | trans | -57.2 | 158.5 | 174.1 | -58.8 | -34 | 0 | 0 | 0 | 109.8 | ||||
| 275 | E | 30.3 | Very low | 30.7 | Very low | 161 Ų | 161 | 128.2 Ų | 128.2 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | -160.7 | 155.1 | 58.1 | -91.2 | -171.9 | -161.2 | 0 | 0 | 116.4 | |||||
| 276 | N | 29.7 | Very low | 29.8 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 65% | 0.647 | 77% | 0.774 | S | S | * | * | trans | 59.3 | 95.4 | 146.1 | -55.3 | -21.9 | 0 | 0 | 0 | 120.4 | ||||
| 277 | T | 32.2 | Very low | 29.3 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 95% | 0.945 | 79% | 0.789 | S | S | * | * | -139.5 | 125.4 | 123.8 | 20 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 278 | H | 30.4 | Very low | 29 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | trans | -111.3 | 114.3 | -176.5 | -112.2 | -56.6 | 0 | 0 | 0 | 111.3 | ||||
| 279 | S | 34.6 | Very low | 29.2 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -172.4 | 99.2 | 151 | 35.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 280 | N | 29 | Very low | 29.2 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | 43.4 | 107.3 | 85 | -72.6 | -4.9 | 0 | 0 | 0 | 114 | |||||
| 281 | I | 31.9 | Very low | 29.4 | Very low | 157 Ų | 157 | 143 Ų | 143 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | -168 | 139.7 | 109.6 | -98.8 | 159.7 | 0 | 0 | 0 | 111.9 | |||||
| 282 | N | 30.2 | Very low | 29.7 | Very low | 147 Ų | 147 | 140 Ų | 140 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | 51.7 | 98.3 | 164.2 | -65.1 | 1.1 | 0 | 0 | 0 | 120.6 | ||||
| 283 | S | 26.3 | Very low | 30.3 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | -52.3 | 128.1 | 152.7 | 50.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 284 | N | 27.1 | Very low | 31.3 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | trans | -162.5 | 155.9 | 133.8 | -99.9 | -28.2 | 0 | 0 | 0 | 110 | ||||
| 285 | S | 25.8 | Very low | 32.2 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | 57.1 | 92.5 | -175.9 | 63.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 286 | K | 26 | Very low | 33.4 | Very low | 196 Ų | 196 | 130.1 Ų | 130.1 | 85% | 0.852 | 72% | 0.717 | S | S | * | * | trans | -163.5 | 48.4 | 149.5 | -117.9 | 165.3 | -170.5 | 172.5 | 0 | 115.8 | S288 | K286-S288 PolarHBondContact O-N 3.18Š| ||
| 287 | E | 28.1 | Very low | 35.2 | Very low | 206 Ų | 206 | 126.1 Ų | 126.1 | 96% | 0.963 | 69% | 0.693 | S | S | * | * | trans | -89.1 | 79.7 | 154.4 | -72.7 | -170.5 | 142.1 | 0 | 0 | 108.9 | ||||
| 288 | S | 29.4 | Very low | 36.9 | Very low | 82 Ų | 82 | 120.4 Ų | 120.4 | 57% | 0.573 | 66% | 0.656 | S | S | * | * | trans | -114.3 | 111.6 | 171.2 | 58.6 | 0 | 0 | 0 | 0 | 108.2 | K286 K290 | K286-S288 PolarHBondContact O-N 3.18Å; S288-K290 PolarHBondContact O-N 3.16Å; S288-K290 VanDerWaalsContact O-N 3.07Å | ||
| 289 | I | 32.9 | Very low | 39.1 | Very low | 164 Ų | 164 | 113 Ų | 113 | 84% | 0.841 | 62% | 0.622 | S | S | * | * | trans | -57.3 | 111.9 | -172.7 | -62.5 | 168.2 | 0 | 0 | 0 | 109.9 | A291 | I289-A291 HydrophobicContact CG2-CB 4.42Å; I289-A291 PolarHBondContact O-N 3.33Å | ||
| 290 | K | 29.4 | Very low | 41 | Very low | 187 Ų | 187 | 111.4 Ų | 111.4 | 81% | 0.813 | 60% | 0.599 | S | S | * | * | trans | -77.1 | 75.2 | 170.7 | -79.9 | -169.3 | 172.5 | -173.1 | 0 | 110 | S288 T292 | S288-K290 PolarHBondContact O-N 3.16Å; S288-K290 VanDerWaalsContact O-N 3.07Å; K290-T292 PolarHBondContact O-N 2.69Å | ||
| 291 | A | 31.1 | Very low | 43.3 | Very low | 81 Ų | 81 | 109 Ų | 109 | 67% | 0.669 | 58% | 0.58 | S | S | * | * | trans | -71.2 | 76.6 | 165 | 0 | 0 | 0 | 0 | 0 | 109.3 | I289 T293 | I289-A291 HydrophobicContact CG2-CB 4.42Å; I289-A291 PolarHBondContact O-N 3.33Å; A291-T293 PolarHBondContact O-N 3.43Å | ||
| 292 | T | 34.4 | Very low | 45.5 | Very low | 111 Ų | 111 | 102 Ų | 102 | 68% | 0.681 | 54% | 0.544 | S | S | * | . | trans | -69.9 | 98.2 | 175.1 | 48.4 | 0 | 0 | 0 | 0 | 109.4 | K290 K294 | K290-T292 PolarHBondContact O-N 2.69Å; T292-K294 PolarHBondContact O-N 3.12Å | ||
| 293 | T | 39.8 | Very low | 47.5 | Very low | 113 Ų | 113 | 97.1 Ų | 97.1 | 69% | 0.693 | 52% | 0.524 | S | S | * | . | trans | -59.6 | 102.5 | 171.8 | 44.2 | 0 | 0 | 0 | 0 | 109.7 | A291 L295 | A291-T293 PolarHBondContact O-N 3.43Å; T293-L295 PolarHBondContact O-N 3.17Å | ||
| 294 | K | 49.8 | Very low | 49.8 | Very low | 113 Ų | 113 | 92.7 Ų | 92.7 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 122.8 | 174.2 | -71.7 | 169.4 | -179 | 152.1 | 0 | 109 | E181 T292 | E181-K294 IonicContact OE1-NZ 2.66Å; E181-K294 PolarHBondContact OE1-NZ 3.17Å; E181-K294 IonicContact OE2-NZ 3.53Å; E181-K294 PolarHBondContact OE2-NZ 3.48Å; T292-K294 PolarHBondContact O-N 3.12Å |
| 295 | L | 47.7 | Very low | 52 | Low | 54 Ų | 54 | 86.1 Ų | 86.1 | 28% | 0.283 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -58 | 142.1 | 173.3 | -77.7 | 161.9 | 0 | 0 | 0 | 110.2 | P263 T293 R297 | P263-L295 HydrophobicContact CB-CD1 4.04Å; P263-L295 HydrophobicContact CG-CB 4.2Å; P263-L295 HydrophobicContact CG-CD1 4.37Å; T293-L295 PolarHBondContact O-N 3.17Å; L295-R297 PolarHBondContact O-N 2.91Å |
| 296 | P | 56.3 | Low | 54.7 | Low | 49 Ų | 49 | 81.1 Ų | 81.1 | 32% | 0.318 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -66 | 133.2 | -174.4 | 26.3 | -33.9 | 0 | 0 | 0 | 111.5 | ||
| 297 | R | 67.2 | Low | 57.2 | Low | 37 Ų | 37 | 72.7 Ų | 72.7 | 14% | 0.14 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 135 | -177.4 | -62.4 | 176.5 | 175.8 | -74.6 | -4.7 | 111.7 | D183 L260 W261 L295 | D183-R297 IonicContact OD1-CZ 3.14Å; D183-R297 IonicContact OD1-NE 3.76Å; D183-R297 PolarHBondContact OD1-NE 3.4Å; D183-R297 IonicContact OD1-NH2 3.91Å; D183-R297 PolarHBondContact OD1-NH2 3.32Å; D183-R297 IonicContact OD2-CZ 2.68Å; D183-R297 IonicContact OD2-NE 2.66Å; D183-R297 PolarHBondContact OD2-NE 3.18Å; D183-R297 IonicContact OD2-NH2 2.85Å; D183-R297 PolarHBondContact OD2-NH2 3.26Å; L260-R297 HydrophobicContact CD2-CB 4.35Å; W261-R297 WeakPolarHBondContact O-CA 3.32Å; L295-R297 PolarHBondContact O-N 2.91Å |
| 298 | I | 67 | Low | 59.5 | Low | 34 Ų | 34 | 62.9 Ų | 62.9 | 17% | 0.174 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 135.8 | -178.3 | -58 | -175 | 0 | 0 | 0 | 110.6 | H216 W261 R300 | H216-I298 WeakPolarHBondContact CD2-CG2 3.33Å; W261-I298 HydrophobicContact CE3-CB 4.31Å; W261-I298 HydrophobicContact CE3-CD1 4.19Å; W261-I298 HydrophobicContact CZ3-CD1 4.13Å; W261-I298 PolarHBondContact N-O 3.1Å; W261-I298 PolarHBondContact O-N 2.92Å; I298-R300 PolarHBondContact O-N 3.21Å |
| 299 | L | 76.3 | Confident | 61.6 | Low | 14 Ų | 14 | 59.3 Ų | 59.3 | 7% | 0.073 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 112.8 | 170.8 | -72.6 | 162.5 | 0 | 0 | 0 | 110.6 | L50 L187 A214 S215 H216 Y258 | L50-L299 HydrophobicContact CD1-CD2 3.75Å; L187-L299 HydrophobicContact CD2-CD1 3.93Å; L187-L299 HydrophobicContact CD2-CD2 4.21Å; L187-L299 HydrophobicContact CD2-CG 4.45Å; A214-L299 WeakPolarHBondContact O-CD1 3.21Å; S215-L299 WeakPolarHBondContact CA-O 3.08Å; H216-L299 PolarHBondContact N-O 3.46Å; Y258-L299 HydrophobicContact CG-CD2 4.17Å |
| 300 | R | 75.6 | Confident | 63.3 | Low | 78 Ų | 78 | 53.6 Ų | 53.6 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 127.8 | 167.7 | -72.8 | -175.7 | 161.6 | 173.1 | -4.6 | 109.4 | E218 Y258 A259 W261 I298 I302 | E218-R300 IonicContact OE2-CZ 3.73Å; E218-R300 IonicContact OE2-NE 3.32Å; E218-R300 PolarHBondContact OE2-NE 3.01Å; E218-R300 IonicContact OE2-NH2 3.72Å; E218-R300 PolarHBondContact OE2-NH2 3.44Å; Y258-R300 CarbonylContact C-O 3.55Å; Y258-R300 WeakPolarHBondContact CA-O 3.47Å; A259-R300 PolarHBondContact N-O 2.83Å; A259-R300 PolarHBondContact O-N 3.36Å; W261-R300 HydrophobicContact CB-CG 4.28Å; I298-R300 PolarHBondContact O-N 3.21Å; R300-I302 PolarHBondContact O-N 3.28Å |
| 301 | R | 77.7 | Confident | 64.9 | Low | 88 Ų | 88 | 45.7 Ų | 45.7 | 33% | 0.332 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 126.7 | 180 | -163.8 | -179.3 | -171.2 | -161 | 8.5 | 110 | V93 H216 T217 I255 Y258 | V93-R301 PolarHBondContact O-NH2 3.15Å; H216-R301 PolarHBondContact O-N 3.44Å; T217-R301 HydrophobicContact CG2-CB 4.27Å; I255-R301 PolarHBondContact O-NH2 2.95Å; Y258-R301 HydrophobicContact CD1-CB 4.13Å; Y258-R301 HydrophobicContact CD1-CG 4.15Å; Y258-R301 HydrophobicContact CE1-CB 4.21Å; Y258-R301 HydrophobicContact CE1-CG 3.92Å |
| 302 | I | 77 | Confident | 66 | Low | 8 Ų | 8 | 48.5 Ų | 48.5 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -82.4 | 128.7 | 173.1 | -58.1 | 168.6 | 0 | 0 | 0 | 108 | I49 M257 A259 R300 F304 | I49-I302 HydrophobicContact CB-CD1 4.12Å; I49-I302 HydrophobicContact CG2-CD1 3.61Å; M257-I302 HydrophobicContact CB-CB 3.93Å; M257-I302 HydrophobicContact CB-CD1 4.4Å; M257-I302 PolarHBondContact O-N 3.16Å; A259-I302 HydrophobicContact CB-CD1 4.09Å; A259-I302 HydrophobicContact CB-CG1 4.07Å; R300-I302 PolarHBondContact O-N 3.28Å; I302-F304 PolarHBondContact O-N 3.42Å |
| 303 | A | 71.8 | Confident | 66.9 | Low | 45 Ų | 45 | 50.1 Ų | 50.1 | 37% | 0.372 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 122.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | L221 W434 | L221-A303 HydrophobicContact CD1-CB 4.42Å; A303-W434 HydrophobicContact CB-CE3 4.16Å |
| 304 | F | 76.3 | Confident | 67.6 | Low | 16 Ų | 16 | 47.7 Ų | 47.7 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | trans | -134.8 | 147.1 | 178.1 | 75.7 | -83 | 0 | 0 | 0 | 110.4 | A230 V254 M257 I302 W434 | A230-F304 HydrophobicContact CB-CD2 3.72Å; A230-F304 HydrophobicContact CB-CE2 3.94Å; V254-F304 HydrophobicContact CB-CE2 4.11Å; V254-F304 HydrophobicContact CG1-CD2 4.25Å; V254-F304 HydrophobicContact CG1-CE1 4.37Å; V254-F304 HydrophobicContact CG1-CE2 3.81Å; V254-F304 HydrophobicContact CG1-CZ 3.9Å; M257-F304 HydrophobicContact CB-CD1 4.17Å; M257-F304 HydrophobicContact CG-CD1 3.99Å; M257-F304 HydrophobicContact CG-CE1 4.5Å; M257-F304 HydrophobicContact CG-CG 4.21Å; M257-F304 HydrophobicContact SD-CB 3.68Å; M257-F304 HydrophobicContact SD-CD1 4.24Å; M257-F304 HydrophobicContact SD-CD2 4.46Å; M257-F304 HydrophobicContact SD-CG 3.88Å; I302-F304 PolarHBondContact O-N 3.42Å; F304-W434 VanDerWaalsContact O-CH2 3.29Å; F304-W434 WeakPolarHBondContact O-CH2 3.3Å; F304-W434 WeakPolarHBondContact O-CZ3 3.38Å | ||
| 305 | T | 73.3 | Confident | 67.6 | Low | 17 Ų | 17 | 48.5 Ų | 48.5 | 10% | 0.104 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 135.1 | 175.8 | -54.4 | 0 | 0 | 0 | 0 | 109.9 | A230 Y307 L356 W434 | A230-T305 PolarHBondContact N-O 3.41Å; T305-Y307 HydrophobicContact CG2-CD2 3.9Å; T305-Y307 HydrophobicContact CG2-CE1 4.13Å; T305-Y307 HydrophobicContact CG2-CE2 3.47Å; T305-Y307 VanDerWaalsContact CG2-CE2 3.47Å; T305-Y307 HydrophobicContact CG2-CG 4.43Å; T305-L356 HydrophobicContact CG2-CB 4.43Å; T305-L356 HydrophobicContact CG2-CD1 3.95Å; T305-L356 HydrophobicContact CG2-CG 3.97Å; T305-W434 HydrophobicContact CG2-CH2 4.4Å; T305-W434 HydrophobicContact CG2-CZ2 4Å; T305-W434 WeakPolarHBondContact OG1-CH2 3.41Å; T305-W434 WeakPolarHBondContact OG1-CZ2 3.46Å |
| 306 | T | 81.2 | Confident | 67.9 | Low | 11 Ų | 11 | 53.6 Ų | 53.6 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 129.2 | 165.9 | -58 | 0 | 0 | 0 | 0 | 109.4 | A230 T232 C355 L356 | A230-T306 CarbonylContact O-C 3.51Å; A230-T306 WeakPolarHBondContact O-CA 3.45Å; T232-T306 HydrophobicContact CG2-CG2 3.97Å; T306-C355 HydrophobicContact CG2-CB 4.17Å; T306-C355 CarbonylContact O-C 3.52Å; T306-C355 WeakPolarHBondContact O-CA 3.26Å; T306-C355 VanDerWaalsContact O-CB 3.23Å; T306-C355 WeakPolarHBondContact O-CB 3.43Å; T306-L356 PolarHBondContact O-N 3.03Å |
| 307 | Y | 78.5 | Confident | 68.1 | Low | 19 Ų | 19 | 53.1 Ų | 53.1 | 8% | 0.075 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 135 | 177.3 | -66.1 | -97.1 | 0 | 0 | 0 | 111.6 | V229 A230 I231 T232 T305 F330 L336 L356 | V229-Y307 HydrophobicContact CB-CE2 4.45Å; V229-Y307 HydrophobicContact CG1-CD2 3.67Å; V229-Y307 HydrophobicContact CG1-CE2 3.96Å; V229-Y307 HydrophobicContact CG2-CE2 4.14Å; A230-Y307 PolarHBondContact O-N 2.93Å; I231-Y307 WeakPolarHBondContact CA-O 3.31Å; T232-Y307 PolarHBondContact N-O 3.26Å; T305-Y307 HydrophobicContact CG2-CD2 3.9Å; T305-Y307 HydrophobicContact CG2-CE1 4.13Å; T305-Y307 HydrophobicContact CG2-CE2 3.47Å; T305-Y307 VanDerWaalsContact CG2-CE2 3.47Å; T305-Y307 HydrophobicContact CG2-CG 4.43Å; Y307-F330 AromaticContact CD1-CE1 3.85Å; Y307-F330 HydrophobicContact CD1-CE1 3.85Å; Y307-F330 HydrophobicContact CD1-CZ 4.12Å; Y307-F330 AromaticContact CD2-CE1 3.96Å; Y307-F330 HydrophobicContact CD2-CE1 3.96Å; Y307-F330 AromaticContact CD2-CZ 3.94Å; Y307-F330 HydrophobicContact CD2-CZ 3.94Å; Y307-F330 AromaticContact CE1-CE1 3.69Å; Y307-F330 HydrophobicContact CE1-CE1 3.69Å; Y307-F330 HydrophobicContact CE1-CZ 4.41Å; Y307-F330 AromaticContact CE2-CE1 3.76Å; Y307-F330 HydrophobicContact CE2-CE1 3.76Å; Y307-F330 HydrophobicContact CE2-CZ 4.19Å; Y307-F330 AromaticContact CG-CE1 3.98Å; Y307-F330 HydrophobicContact CG-CE1 3.98Å; Y307-F330 AromaticContact CG-CZ 3.88Å; Y307-F330 HydrophobicContact CG-CZ 3.88Å; Y307-F330 AromaticContact CZ-CE1 3.65Å; Y307-L336 HydrophobicContact CD1-CD1 4.41Å; Y307-L336 HydrophobicContact CD1-CD2 4.2Å; Y307-L336 HydrophobicContact CE1-CD1 3.83Å; Y307-L336 HydrophobicContact CE1-CD2 4.43Å; Y307-L356 CarbonylContact C-O 3.56Å; Y307-L356 VanDerWaalsContact CA-O 3.27Å; Y307-L356 WeakPolarHBondContact CA-O 3.5Å; Y307-L356 HydrophobicContact CD1-CB 3.81Å; Y307-L356 HydrophobicContact CE1-CB 3.91Å; Y307-L356 HydrophobicContact CE1-CD1 3.83Å; Y307-L356 HydrophobicContact CE1-CG 4.42Å |
| 308 | A | 77.4 | Confident | 68 | Low | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 94.1 | 167 | 0 | 0 | 0 | 0 | 0 | 108.2 | T232 L356 A357 E358 L361 L421 | T232-A308 HydrophobicContact CG2-CB 4.02Å; A308-L356 PolarHBondContact N-O 3.07Å; A308-A357 HydrophobicContact CB-CB 3.95Å; A308-A357 WeakPolarHBondContact O-CA 3.14Å; A308-E358 PolarHBondContact O-N 3.11Å; A308-L361 VanDerWaalsContact O-CD1 3.29Å; A308-L361 WeakPolarHBondContact O-CD1 3.33Å; A308-L421 HydrophobicContact CB-CD1 4.15Å |
| 309 | L | 73.2 | Confident | 67.6 | Low | 6 Ų | 6 | 58.5 Ų | 58.5 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | trans | -100.6 | 147.7 | 175.4 | -57.2 | 179.7 | 0 | 0 | 0 | 109.6 | I231 L311 L326 F330 L334 | I231-L309 HydrophobicContact CD1-CD1 4.42Å; L309-L311 HydrophobicContact CB-CG 4.35Å; L309-L326 HydrophobicContact CD1-CD2 3.73Å; L309-F330 HydrophobicContact CD1-CE2 3.77Å; L309-F330 HydrophobicContact CD1-CZ 3.87Å; L309-L334 HydrophobicContact CD2-CD2 3.73Å | ||
| 310 | D | 67.8 | Low | 67.1 | Low | 45 Ų | 45 | 63 Ų | 63 | 24% | 0.241 | 33% | 0.334 | C | S | . | . | trans | -87.1 | 125.6 | 160.1 | -154.3 | -24 | 0 | 0 | 0 | 108.7 | H312 K329 L361 | D310-H312 WeakPolarHBondContact OD1-CB 3.31Å; D310-H312 IonicContact OD1-CD2 3.54Å; D310-H312 IonicContact OD1-CG 3.59Å; D310-H312 PolarHBondContact OD1-N 3.36Å; D310-K329 PolarHBondContact O-NZ 2.94Å; D310-L361 HydrophobicContact CB-CD1 4.25Å; D310-L361 HydrophobicContact CB-CG 4.35Å | ||
| 311 | L | 63.2 | Low | 66.7 | Low | 21 Ų | 21 | 63.4 Ų | 63.4 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | trans | -124.1 | 10.6 | 176.9 | -61.7 | 173 | 0 | 0 | 0 | 110.4 | L309 E325 L326 | L309-L311 HydrophobicContact CB-CG 4.35Å; L311-E325 HydrophobicContact CD2-CG 4.32Å; L311-L326 HydrophobicContact CD2-CD2 4.26Å | ||
| 312 | H | 55.5 | Low | 66.1 | Low | 139 Ų | 139 | 61.9 Ų | 61.9 | 64% | 0.644 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 3 | -173.2 | -71.1 | -62.7 | 0 | 0 | 0 | 114.5 | Q233 D310 I314 | Q233-H312 PolarHBondContact NE2-CE1 3.21Å; Q233-H312 PolarHBondContact NE2-NE2 3.04Å; D310-H312 WeakPolarHBondContact OD1-CB 3.31Å; D310-H312 IonicContact OD1-CD2 3.54Å; D310-H312 IonicContact OD1-CG 3.59Å; D310-H312 PolarHBondContact OD1-N 3.36Å; H312-I314 VanDerWaalsContact C-N 3.29Å; H312-I314 PolarHBondContact O-N 2.9Å |
| 313 | N | 53 | Low | 65.6 | Low | 146 Ų | 146 | 65 Ų | 65 | 78% | 0.781 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -10.5 | 175.9 | -80.7 | -26.2 | 0 | 0 | 0 | 113.7 | ||
| 314 | I | 53.7 | Low | 65.6 | Low | 61 Ų | 61 | 67.9 Ų | 67.9 | 31% | 0.313 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -104.8 | 127.6 | 172.4 | -43.6 | 179.2 | 0 | 0 | 0 | 109.6 | H312 P317 E325 | H312-I314 VanDerWaalsContact C-N 3.29Å; H312-I314 PolarHBondContact O-N 2.9Å; I314-P317 HydrophobicContact CB-CB 4.02Å; I314-P317 HydrophobicContact CB-CG 4.27Å; I314-P317 HydrophobicContact CD1-CB 4.4Å; I314-P317 HydrophobicContact CG2-CB 3.71Å; I314-P317 HydrophobicContact CG2-CG 4.34Å; I314-P317 WeakPolarHBondContact O-CD 3.35Å; I314-E325 WeakPolarHBondContact CD1-OE2 3.34Å |
| 315 | T | 48.8 | Very low | 65.3 | Low | 131 Ų | 131 | 68.9 Ų | 68.9 | 80% | 0.804 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -92.2 | 115.9 | 174.6 | 47.9 | 0 | 0 | 0 | 0 | 110.5 | ||
| 316 | N | 55.3 | Low | 65.1 | Low | 160 Ų | 160 | 68.2 Ų | 68.2 | 86% | 0.856 | 36% | 0.358 | S | S | * | . | S | Bend | trans | 52.1 | 57.3 | -171.9 | -60.2 | -18.7 | 0 | 0 | 0 | 113.3 | ||
| 317 | P | 60.7 | Low | 64.7 | Low | 40 Ų | 40 | 70.4 Ų | 70.4 | 26% | 0.26 | 37% | 0.368 | S | S | . | . | trans | -57.5 | 144.3 | 170.5 | 27.1 | -34.3 | 0 | 0 | 0 | 110.5 | I314 Q321 I322 | I314-P317 HydrophobicContact CB-CB 4.02Å; I314-P317 HydrophobicContact CB-CG 4.27Å; I314-P317 HydrophobicContact CD1-CB 4.4Å; I314-P317 HydrophobicContact CG2-CB 3.71Å; I314-P317 HydrophobicContact CG2-CG 4.34Å; I314-P317 WeakPolarHBondContact O-CD 3.35Å; P317-Q321 HydrophobicContact CB-CB 3.94Å; P317-I322 HydrophobicContact CB-CG1 3.78Å; P317-I322 HydrophobicContact CG-CD1 4.01Å; P317-I322 HydrophobicContact CG-CG1 3.7Å | ||
| 318 | T | 64.2 | Low | 64.4 | Low | 70 Ų | 70 | 72.3 Ų | 72.3 | 43% | 0.429 | 39% | 0.388 | S | S | . | . | trans | -69.4 | 159.9 | 160.7 | 56.8 | 0 | 0 | 0 | 0 | 109.7 | D320 Q321 I322 | T318-D320 PolarHBondContact O-N 3.09Å; T318-Q321 WeakPolarHBondContact O-CB 3.48Å; T318-Q321 PolarHBondContact O-N 3.34Å; T318-Q321 WeakPolarHBondContact OG1-CG 3.43Å; T318-Q321 PolarHBondContact OG1-N 3.08Å; T318-I322 PolarHBondContact O-N 2.76Å; T318-I322 VanDerWaalsContact O-N 3.11Å | ||
| 319 | D | 58 | Low | 64.1 | Low | 114 Ų | 114 | 73.8 Ų | 73.8 | 61% | 0.61 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -54.3 | -41 | 175.8 | -62.7 | -43.9 | 0 | 0 | 0 | 110.6 | Q321 I322 Y323 | D319-Q321 VanDerWaalsContact C-N 3.32Å; D319-Q321 PolarHBondContact O-N 3.43Å; D319-I322 WeakPolarHBondContact O-CB 3.48Å; D319-I322 PolarHBondContact O-N 2.77Å; D319-I322 VanDerWaalsContact O-N 3.12Å; D319-Y323 VanDerWaalsContact C-CD2 3.49Å; D319-Y323 HydrophobicContact CB-CD2 4.43Å; D319-Y323 HydrophobicContact CB-CE2 3.93Å; D319-Y323 WeakPolarHBondContact O-CD2 3.29Å; D319-Y323 PolarHBondContact O-N 3.3Å |
| 320 | D | 66.8 | Low | 63.8 | Low | 107 Ų | 107 | 75.5 Ų | 75.5 | 57% | 0.572 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -54.8 | -39.6 | 172.5 | -49.9 | -47.7 | 0 | 0 | 0 | 113.6 | T318 Y323 D324 | T318-D320 PolarHBondContact O-N 3.09Å; D320-Y323 WeakPolarHBondContact O-CB 3.41Å; D320-Y323 PolarHBondContact O-N 2.98Å; D320-D324 WeakPolarHBondContact O-CB 3.42Å; D320-D324 PolarHBondContact O-N 2.76Å |
| 321 | Q | 67.3 | Low | 63.8 | Low | 87 Ų | 87 | 77.1 Ų | 77.1 | 41% | 0.407 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -74.3 | -31.5 | 178.2 | -73.9 | 173 | -23 | 0 | 0 | 112.6 | P317 T318 D319 Y323 E325 | P317-Q321 HydrophobicContact CB-CB 3.94Å; T318-Q321 WeakPolarHBondContact O-CB 3.48Å; T318-Q321 PolarHBondContact O-N 3.34Å; T318-Q321 WeakPolarHBondContact OG1-CG 3.43Å; T318-Q321 PolarHBondContact OG1-N 3.08Å; D319-Q321 VanDerWaalsContact C-N 3.32Å; D319-Q321 PolarHBondContact O-N 3.43Å; Q321-Y323 VanDerWaalsContact C-N 3.32Å; Q321-E325 WeakPolarHBondContact O-CB 3.29Å; Q321-E325 PolarHBondContact O-N 3.34Å |
| 322 | I | 64.6 | Low | 63.6 | Low | 56 Ų | 56 | 79.9 Ų | 79.9 | 29% | 0.287 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.3 | -39.6 | 170 | -53 | 177 | 0 | 0 | 0 | 109.1 | P317 T318 D319 L326 | P317-I322 HydrophobicContact CB-CG1 3.78Å; P317-I322 HydrophobicContact CG-CD1 4.01Å; P317-I322 HydrophobicContact CG-CG1 3.7Å; T318-I322 PolarHBondContact O-N 2.76Å; T318-I322 VanDerWaalsContact O-N 3.11Å; D319-I322 WeakPolarHBondContact O-CB 3.48Å; D319-I322 PolarHBondContact O-N 2.77Å; D319-I322 VanDerWaalsContact O-N 3.12Å; I322-L326 HydrophobicContact CG2-CD1 3.84Å; I322-L326 HydrophobicContact CG2-CG 4.34Å; I322-L326 WeakPolarHBondContact O-CB 3.24Å; I322-L326 WeakPolarHBondContact O-CD1 3.19Å; I322-L326 WeakPolarHBondContact O-CG 3.33Å; I322-L326 PolarHBondContact O-N 3.34Å |
| 323 | Y | 67.6 | Low | 63.7 | Low | 73 Ų | 73 | 78 Ų | 78 | 29% | 0.286 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.6 | -49 | 175.9 | -66.3 | -37.5 | 0 | 0 | 0 | 112.7 | L244 D319 D320 Q321 E325 L326 E327 | L244-Y323 VanDerWaalsContact CD2-CB 3.48Å; L244-Y323 HydrophobicContact CD2-CD1 3.38Å; L244-Y323 HydrophobicContact CD2-CE1 4.2Å; L244-Y323 HydrophobicContact CD2-CG 3.57Å; D319-Y323 VanDerWaalsContact C-CD2 3.49Å; D319-Y323 HydrophobicContact CB-CD2 4.43Å; D319-Y323 HydrophobicContact CB-CE2 3.93Å; D319-Y323 WeakPolarHBondContact O-CD2 3.29Å; D319-Y323 PolarHBondContact O-N 3.3Å; D320-Y323 WeakPolarHBondContact O-CB 3.41Å; D320-Y323 PolarHBondContact O-N 2.98Å; Q321-Y323 VanDerWaalsContact C-N 3.32Å; Y323-E325 PolarHBondContact O-N 3.24Å; Y323-L326 PolarHBondContact O-N 2.9Å; Y323-E327 WeakPolarHBondContact O-CB 3.06Å; Y323-E327 PolarHBondContact O-N 3.32Å |
| 324 | D | 70.3 | Confident | 64.3 | Low | 106 Ų | 106 | 73 Ų | 73 | 57% | 0.567 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -58.9 | -45.6 | 175.2 | -74.3 | -18.9 | 0 | 0 | 0 | 111.5 | D320 A328 | D320-D324 WeakPolarHBondContact O-CB 3.42Å; D320-D324 PolarHBondContact O-N 2.76Å; D324-A328 WeakPolarHBondContact O-CB 3.29Å; D324-A328 PolarHBondContact O-N 2.92Å |
| 325 | E | 71.6 | Confident | 64.9 | Low | 37 Ų | 37 | 76.5 Ų | 76.5 | 17% | 0.173 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 178.1 | -173.5 | 175.1 | -170.9 | 0 | 0 | 111.4 | L311 I314 Q321 Y323 K329 | L311-E325 HydrophobicContact CD2-CG 4.32Å; I314-E325 WeakPolarHBondContact CD1-OE2 3.34Å; Q321-E325 WeakPolarHBondContact O-CB 3.29Å; Q321-E325 PolarHBondContact O-N 3.34Å; Y323-E325 PolarHBondContact O-N 3.24Å; E325-K329 HydrophobicContact CG-CD 4.22Å; E325-K329 HydrophobicContact CG-CG 4.42Å; E325-K329 WeakPolarHBondContact O-CB 3.4Å; E325-K329 VanDerWaalsContact O-CG 3.25Å; E325-K329 WeakPolarHBondContact O-CG 3.47Å; E325-K329 PolarHBondContact O-N 2.75Å; E325-K329 WeakPolarHBondContact OE1-CE 3.46Å; E325-K329 IonicContact OE1-NZ 2.72Å; E325-K329 PolarHBondContact OE1-NZ 3.04Å |
| 326 | L | 68 | Low | 65.9 | Low | 3 Ų | 3 | 73.2 Ų | 73.2 | 2% | 0.016 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65 | -48 | 176.5 | -72.5 | 168.9 | 0 | 0 | 0 | 111.8 | I231 V237 L309 L311 I322 Y323 A328 K329 F330 | I231-L326 HydrophobicContact CD1-CD1 4.37Å; I231-L326 HydrophobicContact CD1-CD2 3.53Å; V237-L326 HydrophobicContact CG1-CD1 4.39Å; V237-L326 HydrophobicContact CG2-CD1 3.98Å; L309-L326 HydrophobicContact CD1-CD2 3.73Å; L311-L326 HydrophobicContact CD2-CD2 4.26Å; I322-L326 HydrophobicContact CG2-CD1 3.84Å; I322-L326 HydrophobicContact CG2-CG 4.34Å; I322-L326 WeakPolarHBondContact O-CB 3.24Å; I322-L326 WeakPolarHBondContact O-CD1 3.19Å; I322-L326 WeakPolarHBondContact O-CG 3.33Å; I322-L326 PolarHBondContact O-N 3.34Å; Y323-L326 PolarHBondContact O-N 2.9Å; L326-A328 VanDerWaalsContact C-N 3.35Å; L326-A328 PolarHBondContact O-N 3.32Å; L326-K329 PolarHBondContact O-N 3.33Å; L326-F330 HydrophobicContact CD2-CE2 4.06Å; L326-F330 WeakPolarHBondContact O-CD2 3.46Å; L326-F330 PolarHBondContact O-N 2.8Å |
| 327 | E | 72.3 | Confident | 66.5 | Low | 58 Ų | 58 | 67 Ų | 67 | 27% | 0.271 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 179 | -172.7 | 166.3 | -114 | 0 | 0 | 111.3 | K243 L244 Y323 K329 F330 N331 | K243-E327 WeakPolarHBondContact CA-OE1 3.4Å; L244-E327 PolarHBondContact N-OE1 3.24Å; Y323-E327 WeakPolarHBondContact O-CB 3.06Å; Y323-E327 PolarHBondContact O-N 3.32Å; E327-K329 PolarHBondContact O-N 3.29Å; E327-F330 PolarHBondContact O-N 3.04Å; E327-N331 VanDerWaalsContact CG-ND2 3.3Å; E327-N331 WeakPolarHBondContact CG-ND2 3.18Å; E327-N331 WeakPolarHBondContact O-CB 3.4Å; E327-N331 PolarHBondContact O-N 3.22Å; E327-N331 PolarHBondContact O-ND2 2.96Å |
| 328 | A | 72.1 | Confident | 66.9 | Low | 59 Ų | 59 | 66.6 Ų | 66.6 | 49% | 0.488 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64 | -37.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D324 L326 T333 | D324-A328 WeakPolarHBondContact O-CB 3.29Å; D324-A328 PolarHBondContact O-N 2.92Å; L326-A328 VanDerWaalsContact C-N 3.35Å; L326-A328 PolarHBondContact O-N 3.32Å; A328-T333 PolarHBondContact O-OG1 2.96Å |
| 329 | K | 71.7 | Confident | 67.3 | Low | 30 Ų | 30 | 63.4 Ų | 63.4 | 13% | 0.13 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -74.9 | -31.6 | 177.6 | -74.9 | -169.3 | -179.8 | -162.6 | 0 | 113.5 | D310 E325 L326 E327 L334 E358 | D310-K329 PolarHBondContact O-NZ 2.94Å; E325-K329 HydrophobicContact CG-CD 4.22Å; E325-K329 HydrophobicContact CG-CG 4.42Å; E325-K329 WeakPolarHBondContact O-CB 3.4Å; E325-K329 VanDerWaalsContact O-CG 3.25Å; E325-K329 WeakPolarHBondContact O-CG 3.47Å; E325-K329 PolarHBondContact O-N 2.75Å; E325-K329 WeakPolarHBondContact OE1-CE 3.46Å; E325-K329 IonicContact OE1-NZ 2.72Å; E325-K329 PolarHBondContact OE1-NZ 3.04Å; L326-K329 PolarHBondContact O-N 3.33Å; E327-K329 PolarHBondContact O-N 3.29Å; K329-L334 HydrophobicContact CB-CD1 3.85Å; K329-L334 HydrophobicContact CB-CD2 4.25Å; K329-L334 HydrophobicContact CD-CD1 4.24Å; K329-L334 HydrophobicContact CD-CD2 4.29Å; K329-L334 HydrophobicContact CG-CD1 3.7Å; K329-L334 HydrophobicContact CG-CD2 4.42Å; K329-E358 IonicContact NZ-OE2 3.52Å; K329-E358 PolarHBondContact NZ-OE2 3.35Å |
| 330 | F | 67.1 | Low | 68.1 | Low | 43 Ų | 43 | 58 Ų | 58 | 19% | 0.189 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -87.1 | -17.8 | 179.3 | -76.7 | -66.5 | 0 | 0 | 0 | 114.5 | V229 F239 Y307 L309 L326 E327 G332 | V229-F330 HydrophobicContact CB-CZ 4.46Å; V229-F330 HydrophobicContact CG1-CD2 4.44Å; V229-F330 HydrophobicContact CG1-CE1 3.91Å; V229-F330 HydrophobicContact CG1-CE2 3.59Å; V229-F330 HydrophobicContact CG1-CZ 3.28Å; V229-F330 HydrophobicContact CG2-CD1 4.47Å; V229-F330 HydrophobicContact CG2-CE1 4.23Å; V229-F330 HydrophobicContact CG2-CZ 4.37Å; F239-F330 HydrophobicContact CE1-CB 4.33Å; F239-F330 HydrophobicContact CE2-CB 4.48Å; F239-F330 HydrophobicContact CE2-CD2 4.04Å; F239-F330 HydrophobicContact CE2-CG 4.28Å; F239-F330 HydrophobicContact CZ-CB 4.02Å; F239-F330 AromaticContact CZ-CD2 3.7Å; F239-F330 HydrophobicContact CZ-CD2 3.7Å; F239-F330 HydrophobicContact CZ-CG 4.07Å; Y307-F330 AromaticContact CD1-CE1 3.85Å; Y307-F330 HydrophobicContact CD1-CE1 3.85Å; Y307-F330 HydrophobicContact CD1-CZ 4.12Å; Y307-F330 AromaticContact CD2-CE1 3.96Å; Y307-F330 HydrophobicContact CD2-CE1 3.96Å; Y307-F330 AromaticContact CD2-CZ 3.94Å; Y307-F330 HydrophobicContact CD2-CZ 3.94Å; Y307-F330 AromaticContact CE1-CE1 3.69Å; Y307-F330 HydrophobicContact CE1-CE1 3.69Å; Y307-F330 HydrophobicContact CE1-CZ 4.41Å; Y307-F330 AromaticContact CE2-CE1 3.76Å; Y307-F330 HydrophobicContact CE2-CE1 3.76Å; Y307-F330 HydrophobicContact CE2-CZ 4.19Å; Y307-F330 AromaticContact CG-CE1 3.98Å; Y307-F330 HydrophobicContact CG-CE1 3.98Å; Y307-F330 AromaticContact CG-CZ 3.88Å; Y307-F330 HydrophobicContact CG-CZ 3.88Å; Y307-F330 AromaticContact CZ-CE1 3.65Å; L309-F330 HydrophobicContact CD1-CE2 3.77Å; L309-F330 HydrophobicContact CD1-CZ 3.87Å; L326-F330 HydrophobicContact CD2-CE2 4.06Å; L326-F330 WeakPolarHBondContact O-CD2 3.46Å; L326-F330 PolarHBondContact O-N 2.8Å; E327-F330 PolarHBondContact O-N 3.04Å; F330-G332 PolarHBondContact O-N 3.36Å |
| 331 | N | 68.8 | Low | 68.7 | Low | 79 Ų | 79 | 53.6 Ų | 53.6 | 42% | 0.422 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | 45.6 | 174.7 | -83.5 | -53.7 | 0 | 0 | 0 | 114.8 | S242 E327 T333 | S242-N331 WeakPolarHBondContact CB-OD1 3.41Å; S242-N331 PolarHBondContact O-ND2 3.38Å; E327-N331 VanDerWaalsContact CG-ND2 3.3Å; E327-N331 WeakPolarHBondContact CG-ND2 3.18Å; E327-N331 WeakPolarHBondContact O-CB 3.4Å; E327-N331 PolarHBondContact O-N 3.22Å; E327-N331 PolarHBondContact O-ND2 2.96Å; N331-T333 PolarHBondContact O-N 3.23Å |
| 332 | G | 58.9 | Low | 69.1 | Low | 78 Ų | 78 | 49.8 Ų | 49.8 | 80% | 0.804 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 10.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | F330 | F330-G332 PolarHBondContact O-N 3.36Š|
| 333 | T | 57.1 | Low | 69.5 | Low | 101 Ų | 101 | 47.1 Ų | 47.1 | 62% | 0.62 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -15.1 | -174.7 | 56.2 | 0 | 0 | 0 | 0 | 114.7 | A328 N331 | A328-T333 PolarHBondContact O-OG1 2.96Å; N331-T333 PolarHBondContact O-N 3.23Å |
| 334 | L | 65.3 | Low | 69.8 | Low | 40 Ų | 40 | 48.1 Ų | 48.1 | 21% | 0.209 | 28% | 0.279 | C | S | . | . | trans | -95.1 | 118.8 | -170.7 | -110.6 | 70.7 | 0 | 0 | 0 | 114.1 | L309 K329 L336 E358 | L309-L334 HydrophobicContact CD2-CD2 3.73Å; K329-L334 HydrophobicContact CB-CD1 3.85Å; K329-L334 HydrophobicContact CB-CD2 4.25Å; K329-L334 HydrophobicContact CD-CD1 4.24Å; K329-L334 HydrophobicContact CD-CD2 4.29Å; K329-L334 HydrophobicContact CG-CD1 3.7Å; K329-L334 HydrophobicContact CG-CD2 4.42Å; L334-L336 HydrophobicContact CB-CD2 4.39Å; L334-L336 HydrophobicContact CB-CG 4.15Å; L334-L336 HydrophobicContact CD2-CD2 4.12Å; L334-L336 PolarHBondContact O-N 3.37Å; L334-E358 HydrophobicContact CD2-CB 3.99Å; L334-E358 HydrophobicContact CD2-CG 3.74Å; L334-E358 HydrophobicContact CG-CG 3.94Å | ||
| 335 | D | 66.8 | Low | 69.9 | Low | 135 Ų | 135 | 44.4 Ų | 44.4 | 72% | 0.722 | 26% | 0.261 | S | S | * | . | trans | -66.2 | 121.5 | 158.2 | -96.9 | -38.3 | 0 | 0 | 0 | 109.6 | A359 | D335-A359 HydrophobicContact CB-CB 3.79Å; D335-A359 WeakPolarHBondContact O-CB 3.05Å; D335-A359 PolarHBondContact O-N 3.39Å | ||
| 336 | L | 70.3 | Confident | 69.9 | Low | 62 Ų | 62 | 52.8 Ų | 52.8 | 33% | 0.325 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 123.1 | -172.2 | -72.2 | 165.2 | 0 | 0 | 0 | 112.5 | Y307 L334 L356 A357 | Y307-L336 HydrophobicContact CD1-CD1 4.41Å; Y307-L336 HydrophobicContact CD1-CD2 4.2Å; Y307-L336 HydrophobicContact CE1-CD1 3.83Å; Y307-L336 HydrophobicContact CE1-CD2 4.43Å; L334-L336 HydrophobicContact CB-CD2 4.39Å; L334-L336 HydrophobicContact CB-CG 4.15Å; L334-L336 HydrophobicContact CD2-CD2 4.12Å; L334-L336 PolarHBondContact O-N 3.37Å; L336-L356 HydrophobicContact CB-CB 4.36Å; L336-L356 HydrophobicContact CD1-CD1 4.25Å; L336-L356 HydrophobicContact CD2-CB 4.22Å; L336-A357 CarbonylContact C-O 3.44Å; L336-A357 WeakPolarHBondContact CA-O 3.49Å |
| 337 | A | 67.3 | Low | 70.1 | Confident | 30 Ų | 30 | 54 Ų | 54 | 25% | 0.248 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 126.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | S339 A357 | A337-S339 PolarHBondContact O-N 3.41Å; A337-S339 PolarHBondContact O-OG 3.39Å; A337-A357 PolarHBondContact N-O 3.23Å; A337-A357 PolarHBondContact O-N 2.81Å |
| 338 | P | 69.5 | Low | 70.1 | Confident | 30 Ų | 30 | 51.2 Ų | 51.2 | 20% | 0.195 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 118.5 | 168.6 | -23.7 | 34.7 | 0 | 0 | 0 | 111 | L356 L424 | P338-L356 HydrophobicContact CB-CD2 4.5Å; P338-L356 HydrophobicContact CG-CD2 4.28Å; P338-L424 HydrophobicContact CB-CB 4.41Å; P338-L424 HydrophobicContact CB-CD1 4.07Å; P338-L424 WeakPolarHBondContact O-CB 3.39Å; P338-L424 PolarHBondContact O-N 3.03Å |
| 339 | S | 72.3 | Confident | 70 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.028 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 160.7 | -167.8 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | A337 C355 A357 Y422 | A337-S339 PolarHBondContact O-N 3.41Å; A337-S339 PolarHBondContact O-OG 3.39Å; S339-C355 PolarHBondContact N-O 3.43Å; S339-C355 PolarHBondContact O-N 3.24Å; S339-C355 VanDerWaalsContact O-O 3.07Å; S339-A357 WeakPolarHBondContact OG-CB 3.47Å; S339-Y422 CarbonylContact C-O 3.6Å; S339-Y422 WeakPolarHBondContact CA-O 3.24Å |
| 340 | L | 75.3 | Confident | 70.3 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 109 | 170.8 | -163.9 | 74.1 | 0 | 0 | 0 | 109 | Y98 A352 L421 Y422 L424 | Y98-L340 HydrophobicContact CD1-CD2 3.99Å; Y98-L340 HydrophobicContact CE1-CD1 4.21Å; Y98-L340 HydrophobicContact CE1-CD2 3.91Å; Y98-L340 HydrophobicContact CE2-CD1 4.33Å; Y98-L340 HydrophobicContact CG-CD2 4.41Å; L340-A352 HydrophobicContact CD1-CB 4.07Å; L340-A352 HydrophobicContact CD2-CB 4.22Å; L340-A352 HydrophobicContact CG-CB 4.12Å; L340-L421 WeakPolarHBondContact O-CA 3.21Å; L340-Y422 PolarHBondContact N-O 3.35Å; L340-Y422 PolarHBondContact O-N 3.07Å; L340-L424 HydrophobicContact CB-CD2 4.3Å |
| 341 | Y | 78.1 | Confident | 71 | Confident | 14 Ų | 14 | 48.3 Ų | 48.3 | 6% | 0.055 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 142.1 | 167 | 167.9 | -87.5 | 0 | 0 | 0 | 109.3 | T232 G343 Y351 A352 L353 G417 L418 | T232-Y341 HydrophobicContact CG2-CD2 3.76Å; T232-Y341 HydrophobicContact CG2-CE2 4.24Å; T232-Y341 HydrophobicContact CG2-CG 3.96Å; Y341-G343 VanDerWaalsContact CE1-CA 3.49Å; Y341-Y351 HydrophobicContact CD1-CE2 4.27Å; Y341-Y351 AromaticContact CE1-CE2 3.78Å; Y341-Y351 HydrophobicContact CE1-CE2 3.78Å; Y341-A352 CarbonylContact O-C 3.55Å; Y341-A352 VanDerWaalsContact O-CA 3.29Å; Y341-A352 WeakPolarHBondContact O-CA 3.35Å; Y341-L353 HydrophobicContact CD1-CB 4.12Å; Y341-L353 HydrophobicContact CD1-CD1 4.17Å; Y341-L353 HydrophobicContact CD1-CG 4.43Å; Y341-L353 HydrophobicContact CE1-CD1 4.49Å; Y341-L353 PolarHBondContact N-O 3.35Å; Y341-L353 PolarHBondContact O-N 3.36Å; Y341-G417 PolarHBondContact OH-O 3.19Å; Y341-L418 HydrophobicContact CD2-CD2 3.64Å; Y341-L418 HydrophobicContact CD2-CG 4.06Å; Y341-L418 HydrophobicContact CE2-CD2 3.91Å; Y341-L418 HydrophobicContact CE2-CG 3.93Å |
| 342 | I | 76.1 | Confident | 71.6 | Confident | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.036 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 134 | 169.4 | -60.6 | -171.2 | 0 | 0 | 0 | 109.2 | F109 V350 Y351 N419 G420 Y422 | F109-I342 HydrophobicContact CD2-CD1 4.09Å; F109-I342 HydrophobicContact CE1-CD1 4.48Å; F109-I342 HydrophobicContact CE2-CD1 3.25Å; F109-I342 HydrophobicContact CZ-CD1 3.48Å; F109-I342 VanDerWaalsContact CZ-CD1 3.48Å; I342-V350 HydrophobicContact CG2-CG1 3.6Å; I342-Y351 WeakPolarHBondContact CA-O 3.17Å; I342-N419 WeakPolarHBondContact O-CB 3.45Å; I342-G420 PolarHBondContact N-O 2.79Å; I342-Y422 HydrophobicContact CD1-CD2 4.01Å; I342-Y422 HydrophobicContact CD1-CE2 3.63Å; I342-Y422 HydrophobicContact CG1-CD2 4.31Å; I342-Y422 HydrophobicContact CG1-CE2 4.22Å |
| 343 | G | 73.7 | Confident | 72.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 176.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y341 V350 Y351 | Y341-G343 VanDerWaalsContact CE1-CA 3.49Å; G343-V350 WeakPolarHBondContact O-CA 3.49Å; G343-Y351 VanDerWaalsContact C-CE1 3.47Å; G343-Y351 PolarHBondContact N-O 3.18Å; G343-Y351 PolarHBondContact O-N 3.15Å |
| 344 | R | 72.5 | Confident | 73.8 | Confident | 94 Ų | 94 | 40.2 Ų | 40.2 | 36% | 0.355 | 21% | 0.208 | S | C | . | . | trans | -133.1 | 144.5 | 170.7 | -57.4 | -160.5 | 161.9 | 159.2 | 2.9 | 109.4 | P349 Y351 Y373 L375 | R344-P349 WeakPolarHBondContact CD-O 3.21Å; R344-P349 WeakPolarHBondContact CG-O 3.44Å; R344-P349 PolarHBondContact NE-O 3.35Å; R344-P349 VanDerWaalsContact NE-O 3.16Å; R344-Y351 VanDerWaalsContact C-CE1 3.47Å; R344-Y373 PolarHBondContact NH2-O 3.49Å; R344-L375 HydrophobicContact CG-CD1 4.39Å | ||
| 345 | S | 73.5 | Confident | 74.4 | Confident | 27 Ų | 27 | 38.6 Ų | 38.6 | 19% | 0.189 | 20% | 0.2 | C | C | . | . | trans | -130 | 172.6 | 174 | 79.5 | 0 | 0 | 0 | 0 | 110.7 | S347 T348 | S345-S347 VanDerWaalsContact C-N 3.26Å; S345-S347 PolarHBondContact O-N 3.5Å; S345-S347 PolarHBondContact OG-N 2.85Å; S345-S347 PolarHBondContact OG-OG 3.21Å; S345-T348 PolarHBondContact N-O 2.76Å; S345-T348 PolarHBondContact OG-N 2.68Å; S345-T348 PolarHBondContact OG-O 2.93Å | ||
| 346 | K | 71.2 | Confident | 74.9 | Confident | 214 Ų | 214 | 33.6 Ų | 33.6 | 93% | 0.93 | 17% | 0.173 | S | C | * | . | S | Bend | trans | -65.6 | -28.2 | 174.4 | -66.7 | 179.2 | -179.5 | 173.7 | 0 | 112.8 | ||
| 347 | S | 71.9 | Confident | 75 | Confident | 27 Ų | 27 | 30.7 Ų | 30.7 | 19% | 0.189 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -91.8 | -27.3 | 179.2 | 64.1 | 0 | 0 | 0 | 0 | 113.5 | L78 S79 A80 S345 | L78-S347 VanDerWaalsContact O-CB 3.28Å; L78-S347 WeakPolarHBondContact O-CB 3.43Å; L78-S347 PolarHBondContact O-OG 3.35Å; S79-S347 WeakPolarHBondContact CA-O 3.19Å; S79-S347 PolarHBondContact OG-O 3.19Å; A80-S347 PolarHBondContact N-O 3.2Å; S345-S347 VanDerWaalsContact C-N 3.26Å; S345-S347 PolarHBondContact O-N 3.5Å; S345-S347 PolarHBondContact OG-N 2.85Å; S345-S347 PolarHBondContact OG-OG 3.21Å |
| 348 | T | 73.1 | Confident | 75.2 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | trans | -135 | 112.8 | -171.1 | -46.1 | 0 | 0 | 0 | 0 | 110.1 | L78 A80 S345 V350 | L78-T348 VanDerWaalsContact C-OG1 3.24Å; L78-T348 HydrophobicContact CD2-CG2 3.65Å; L78-T348 HydrophobicContact CG-CG2 3.89Å; L78-T348 WeakPolarHBondContact CG-OG1 3.34Å; L78-T348 PolarHBondContact O-OG1 3.01Å; A80-T348 HydrophobicContact CB-CG2 3.89Å; S345-T348 PolarHBondContact N-O 2.76Å; S345-T348 PolarHBondContact OG-N 2.68Å; S345-T348 PolarHBondContact OG-O 2.93Å; T348-V350 VanDerWaalsContact C-N 3.27Å; T348-V350 VanDerWaalsContact CG2-O 3.25Å; T348-V350 WeakPolarHBondContact CG2-O 3.48Å; T348-V350 PolarHBondContact O-N 2.74Å | ||
| 349 | P | 69.5 | Low | 75.2 | Confident | 58 Ų | 58 | 32.4 Ų | 32.4 | 38% | 0.377 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -71.2 | -18.2 | -171.7 | 28 | -34.8 | 0 | 0 | 0 | 113.9 | A80 Y82 R344 | A80-P349 WeakPolarHBondContact O-CD 3.39Å; Y82-P349 HydrophobicContact CD2-CG 3.6Å; Y82-P349 HydrophobicContact CE2-CG 3.66Å; R344-P349 WeakPolarHBondContact CD-O 3.21Å; R344-P349 WeakPolarHBondContact CG-O 3.44Å; R344-P349 PolarHBondContact NE-O 3.35Å; R344-P349 VanDerWaalsContact NE-O 3.16Å |
| 350 | V | 77.9 | Confident | 74.8 | Confident | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -149.1 | 136.5 | 162.1 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | P86 V89 I342 G343 T348 | P86-V350 HydrophobicContact CB-CB 4.25Å; P86-V350 HydrophobicContact CB-CG2 4.07Å; P86-V350 HydrophobicContact CG-CB 4.44Å; P86-V350 HydrophobicContact CG-CG2 3.72Å; V89-V350 HydrophobicContact CG1-CG1 3.88Å; V89-V350 HydrophobicContact CG2-CB 4.41Å; V89-V350 HydrophobicContact CG2-CG1 3.81Å; I342-V350 HydrophobicContact CG2-CG1 3.6Å; G343-V350 WeakPolarHBondContact O-CA 3.49Å; T348-V350 VanDerWaalsContact C-N 3.27Å; T348-V350 VanDerWaalsContact CG2-O 3.25Å; T348-V350 WeakPolarHBondContact CG2-O 3.48Å; T348-V350 PolarHBondContact O-N 2.74Å |
| 351 | Y | 82.3 | Confident | 74.4 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 2% | 0.024 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 164.1 | 167.4 | 66.4 | -92.3 | 0 | 0 | 0 | 110.4 | L54 V89 Y341 I342 G343 R344 L353 | L54-Y351 HydrophobicContact CD2-CD1 3.67Å; L54-Y351 HydrophobicContact CD2-CD2 3.93Å; L54-Y351 HydrophobicContact CD2-CE1 3.42Å; L54-Y351 VanDerWaalsContact CD2-CE1 3.42Å; L54-Y351 HydrophobicContact CD2-CE2 3.72Å; L54-Y351 HydrophobicContact CD2-CG 3.92Å; L54-Y351 VanDerWaalsContact CD2-CZ 3.46Å; V89-Y351 VanDerWaalsContact CG1-C 3.48Å; Y341-Y351 HydrophobicContact CD1-CE2 4.27Å; Y341-Y351 AromaticContact CE1-CE2 3.78Å; Y341-Y351 HydrophobicContact CE1-CE2 3.78Å; I342-Y351 WeakPolarHBondContact CA-O 3.17Å; G343-Y351 VanDerWaalsContact C-CE1 3.47Å; G343-Y351 PolarHBondContact N-O 3.18Å; G343-Y351 PolarHBondContact O-N 3.15Å; R344-Y351 VanDerWaalsContact C-CE1 3.47Å; Y351-L353 HydrophobicContact CD2-CD1 4.48Å; Y351-L353 HydrophobicContact CD2-CG 4.1Å; Y351-L353 HydrophobicContact CE2-CD1 3.81Å; Y351-L353 HydrophobicContact CE2-CG 3.92Å |
| 352 | A | 81.5 | Confident | 73.4 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 157.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | V89 V90 D91 P92 Y98 L340 Y341 | V89-A352 HydrophobicContact CG1-CB 3.85Å; V90-A352 PolarHBondContact O-N 2.87Å; D91-A352 WeakPolarHBondContact CA-O 3.36Å; P92-A352 WeakPolarHBondContact CD-O 3.35Å; Y98-A352 HydrophobicContact CD2-CB 4.27Å; Y98-A352 HydrophobicContact CE2-CB 4.36Å; L340-A352 HydrophobicContact CD1-CB 4.07Å; L340-A352 HydrophobicContact CD2-CB 4.22Å; L340-A352 HydrophobicContact CG-CB 4.12Å; Y341-A352 CarbonylContact O-C 3.55Å; Y341-A352 VanDerWaalsContact O-CA 3.29Å; Y341-A352 WeakPolarHBondContact O-CA 3.35Å |
| 353 | L | 81.3 | Confident | 72.4 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 132.6 | 168.6 | -74.5 | 172 | 0 | 0 | 0 | 108.9 | P92 V93 P253 Y341 Y351 | P92-L353 HydrophobicContact CG-CD2 3.8Å; V93-L353 HydrophobicContact CG2-CD2 3.52Å; P253-L353 HydrophobicContact CB-CD1 3.95Å; P253-L353 HydrophobicContact CG-CD1 4.33Å; Y341-L353 HydrophobicContact CD1-CB 4.12Å; Y341-L353 HydrophobicContact CD1-CD1 4.17Å; Y341-L353 HydrophobicContact CD1-CG 4.43Å; Y341-L353 HydrophobicContact CE1-CD1 4.49Å; Y341-L353 PolarHBondContact N-O 3.35Å; Y341-L353 PolarHBondContact O-N 3.36Å; Y351-L353 HydrophobicContact CD2-CD1 4.48Å; Y351-L353 HydrophobicContact CD2-CG 4.1Å; Y351-L353 HydrophobicContact CE2-CD1 3.81Å; Y351-L353 HydrophobicContact CE2-CG 3.92Å |
| 354 | M | 79.6 | Confident | 71.3 | Confident | 87 Ų | 87 | 56 Ų | 56 | 43% | 0.429 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 124.2 | 169.2 | -178 | 171.2 | 57.5 | 0 | 0 | 109.3 | L424 Y428 | M354-L424 HydrophobicContact CG-CD1 4.22Å; M354-L424 HydrophobicContact SD-CD1 4.21Å; M354-Y428 HydrophobicContact SD-CE1 4.34Å |
| 355 | C | 78.2 | Confident | 69.9 | Low | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.034 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 163.9 | -175.2 | 61.9 | 0 | 0 | 0 | 0 | 111.9 | T306 S339 | T306-C355 HydrophobicContact CG2-CB 4.17Å; T306-C355 CarbonylContact O-C 3.52Å; T306-C355 WeakPolarHBondContact O-CA 3.26Å; T306-C355 VanDerWaalsContact O-CB 3.23Å; T306-C355 WeakPolarHBondContact O-CB 3.43Å; S339-C355 PolarHBondContact N-O 3.43Å; S339-C355 PolarHBondContact O-N 3.24Å; S339-C355 VanDerWaalsContact O-O 3.07Å |
| 356 | L | 78 | Confident | 68.3 | Low | 30 Ų | 30 | 51.6 Ų | 51.6 | 16% | 0.157 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 134.7 | 158.9 | -65.4 | -176.2 | 0 | 0 | 0 | 108.5 | T305 T306 Y307 A308 L336 P338 | T305-L356 HydrophobicContact CG2-CB 4.43Å; T305-L356 HydrophobicContact CG2-CD1 3.95Å; T305-L356 HydrophobicContact CG2-CG 3.97Å; T306-L356 PolarHBondContact O-N 3.03Å; Y307-L356 CarbonylContact C-O 3.56Å; Y307-L356 VanDerWaalsContact CA-O 3.27Å; Y307-L356 WeakPolarHBondContact CA-O 3.5Å; Y307-L356 HydrophobicContact CD1-CB 3.81Å; Y307-L356 HydrophobicContact CE1-CB 3.91Å; Y307-L356 HydrophobicContact CE1-CD1 3.83Å; Y307-L356 HydrophobicContact CE1-CG 4.42Å; A308-L356 PolarHBondContact N-O 3.07Å; L336-L356 HydrophobicContact CB-CB 4.36Å; L336-L356 HydrophobicContact CD1-CD1 4.25Å; L336-L356 HydrophobicContact CD2-CB 4.22Å; P338-L356 HydrophobicContact CB-CD2 4.5Å; P338-L356 HydrophobicContact CG-CD2 4.28Å |
| 357 | A | 72.6 | Confident | 66.6 | Low | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 146.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A308 L336 A337 S339 A359 L421 | A308-A357 HydrophobicContact CB-CB 3.95Å; A308-A357 WeakPolarHBondContact O-CA 3.14Å; L336-A357 CarbonylContact C-O 3.44Å; L336-A357 WeakPolarHBondContact CA-O 3.49Å; A337-A357 PolarHBondContact N-O 3.23Å; A337-A357 PolarHBondContact O-N 2.81Å; S339-A357 WeakPolarHBondContact OG-CB 3.47Å; A357-A359 PolarHBondContact O-N 3.12Å; A357-L421 HydrophobicContact CB-CD1 4.08Å; A357-L421 HydrophobicContact CB-CD2 3.65Å; A357-L421 HydrophobicContact CB-CG 4.4Å |
| 358 | E | 72 | Confident | 64.6 | Low | 30 Ų | 30 | 56.8 Ų | 56.8 | 14% | 0.14 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 130.6 | 173.6 | -168.5 | -178.5 | 138.2 | 0 | 0 | 110.1 | A308 K329 L334 T360 L361 | A308-E358 PolarHBondContact O-N 3.11Å; K329-E358 IonicContact NZ-OE2 3.52Å; K329-E358 PolarHBondContact NZ-OE2 3.35Å; L334-E358 HydrophobicContact CD2-CB 3.99Å; L334-E358 HydrophobicContact CD2-CG 3.74Å; L334-E358 HydrophobicContact CG-CG 3.94Å; E358-T360 HydrophobicContact CG-CG2 4.26Å; E358-T360 VanDerWaalsContact CG-OG1 3.29Å; E358-T360 WeakPolarHBondContact CG-OG1 3.48Å; E358-T360 PolarHBondContact O-N 2.97Å; E358-T360 VanDerWaalsContact O-N 3.09Å; E358-T360 WeakPolarHBondContact OE1-CG2 3.44Å; E358-T360 PolarHBondContact OE1-OG1 3.18Å; E358-L361 HydrophobicContact CB-CB 4.31Å; E358-L361 WeakPolarHBondContact O-CB 3.47Å; E358-L361 PolarHBondContact O-N 3.35Å |
| 359 | A | 68.5 | Low | 62.5 | Low | 67 Ų | 67 | 59.5 Ų | 59.5 | 55% | 0.554 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -16.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D335 A357 L361 | D335-A359 HydrophobicContact CB-CB 3.79Å; D335-A359 WeakPolarHBondContact O-CB 3.05Å; D335-A359 PolarHBondContact O-N 3.39Å; A357-A359 PolarHBondContact O-N 3.12Å; A359-L361 VanDerWaalsContact C-N 3.29Å |
| 360 | T | 63.6 | Low | 60.6 | Low | 100 Ų | 100 | 61.8 Ų | 61.8 | 61% | 0.613 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -22 | 171.9 | 66.3 | 0 | 0 | 0 | 0 | 112.8 | E358 R362 | E358-T360 HydrophobicContact CG-CG2 4.26Å; E358-T360 VanDerWaalsContact CG-OG1 3.29Å; E358-T360 WeakPolarHBondContact CG-OG1 3.48Å; E358-T360 PolarHBondContact O-N 2.97Å; E358-T360 VanDerWaalsContact O-N 3.09Å; E358-T360 WeakPolarHBondContact OE1-CG2 3.44Å; E358-T360 PolarHBondContact OE1-OG1 3.18Å; T360-R362 PolarHBondContact O-N 2.78Å |
| 361 | L | 66.4 | Low | 58.2 | Low | 16 Ų | 16 | 70.1 Ų | 70.1 | 8% | 0.084 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -81.9 | 102.5 | -162.5 | -146 | 171.5 | 0 | 0 | 0 | 110.3 | A308 D310 E358 A359 I363 L418 L421 | A308-L361 VanDerWaalsContact O-CD1 3.29Å; A308-L361 WeakPolarHBondContact O-CD1 3.33Å; D310-L361 HydrophobicContact CB-CD1 4.25Å; D310-L361 HydrophobicContact CB-CG 4.35Å; E358-L361 HydrophobicContact CB-CB 4.31Å; E358-L361 WeakPolarHBondContact O-CB 3.47Å; E358-L361 PolarHBondContact O-N 3.35Å; A359-L361 VanDerWaalsContact C-N 3.29Å; L361-I363 PolarHBondContact O-N 3.21Å; L361-I363 VanDerWaalsContact O-N 3.11Å; L361-L418 HydrophobicContact CD2-CD1 4.23Å; L361-L421 HydrophobicContact CB-CD2 4.49Å; L361-L421 HydrophobicContact CD2-CD2 4.14Å |
| 362 | R | 57.7 | Low | 55.7 | Low | 223 Ų | 223 | 76.9 Ų | 76.9 | 84% | 0.842 | 38% | 0.38 | S | S | * | . | trans | -56.3 | 116.6 | -171.5 | -69.9 | -175.1 | 176.8 | -175.6 | -0.5 | 112.8 | T360 R364 | T360-R362 PolarHBondContact O-N 2.78Å; R362-R364 WeakPolarHBondContact O-CG 3.41Å; R362-R364 PolarHBondContact O-N 2.59Å | ||
| 363 | I | 55.8 | Low | 53.3 | Low | 72 Ų | 72 | 79 Ų | 79 | 37% | 0.369 | 39% | 0.388 | S | S | . | . | trans | -48.1 | 99.8 | 171.4 | -67.2 | 164 | 0 | 0 | 0 | 110.5 | L361 G365 L421 E423 | L361-I363 PolarHBondContact O-N 3.21Å; L361-I363 VanDerWaalsContact O-N 3.11Å; I363-G365 PolarHBondContact O-N 3.29Å; I363-L421 WeakPolarHBondContact CA-O 3.46Å; I363-L421 VanDerWaalsContact CG2-O 3.24Å; I363-L421 WeakPolarHBondContact CG2-O 3.49Å; I363-E423 HydrophobicContact CD1-CB 3.82Å | ||
| 364 | R | 50.8 | Low | 50.8 | Low | 109 Ų | 109 | 85.8 Ų | 85.8 | 41% | 0.411 | 42% | 0.422 | S | S | . | . | trans | -81.1 | 112.2 | -179.5 | -61.6 | -175.2 | -173 | -179.5 | -1.5 | 109.6 | R362 L418 G420 L421 | R362-R364 WeakPolarHBondContact O-CG 3.41Å; R362-R364 PolarHBondContact O-N 2.59Å; R364-L418 WeakPolarHBondContact CD-O 3.37Å; R364-L418 PolarHBondContact NH1-O 3.14Å; R364-G420 WeakPolarHBondContact O-CA 3.38Å; R364-L421 PolarHBondContact N-O 3.49Å; R364-L421 PolarHBondContact O-N 3.19Å | ||
| 365 | G | 43.3 | Very low | 48.6 | Very low | 12 Ų | 12 | 83.7 Ų | 83.7 | 12% | 0.124 | 41% | 0.412 | C | S | . | . | trans | -108.4 | 118.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I363 R367 R455 | I363-G365 PolarHBondContact O-N 3.29Å; G365-R367 PolarHBondContact O-N 3.11Å; G365-R455 PolarHBondContact O-NH2 3.09Å | ||
| 366 | L | 39.2 | Very low | 46.4 | Very low | 18 Ų | 18 | 88 Ų | 88 | 9% | 0.094 | 43% | 0.432 | C | S | . | . | trans | -39.7 | 130.9 | 174.2 | -100.4 | 61.3 | 0 | 0 | 0 | 113.6 | Y100 F107 Y373 L375 | Y100-L366 HydrophobicContact CE1-CD2 4.32Å; F107-L366 VanDerWaalsContact CD1-O 3.26Å; F107-L366 WeakPolarHBondContact CD1-O 3.43Å; F107-L366 WeakPolarHBondContact CE1-O 3.33Å; L366-Y373 HydrophobicContact CD2-CD1 3.72Å; L366-Y373 HydrophobicContact CD2-CE1 4.11Å; L366-L375 HydrophobicContact CD1-CD2 3.99Å | ||
| 367 | R | 35.4 | Very low | 44 | Very low | 172 Ų | 172 | 89 Ų | 89 | 65% | 0.649 | 45% | 0.45 | S | S | * | . | trans | -96.5 | 133.9 | 159.3 | -81.9 | -173.4 | 162.6 | -145.6 | -5.1 | 109.9 | G365 | G365-R367 PolarHBondContact O-N 3.11Š| ||
| 368 | R | 30.4 | Very low | 41.9 | Very low | 177 Ų | 177 | 95.1 Ų | 95.1 | 67% | 0.668 | 49% | 0.49 | S | S | * | . | trans | -82.3 | 134.8 | 167 | -102.8 | -174 | 173.7 | -157.9 | -2.9 | 109.6 | ||||
| 369 | A | 28.8 | Very low | 39.7 | Very low | 58 Ų | 58 | 101.8 Ų | 101.8 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | B | Isolated β-bridge | trans | -134.4 | 127.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||
| 370 | S | 30 | Very low | 37.7 | Very low | 107 Ų | 107 | 106.1 Ų | 106.1 | 75% | 0.748 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 38.9 | 76.8 | 174.2 | 56.4 | 0 | 0 | 0 | 0 | 116.2 | M372 | S370-M372 PolarHBondContact O-N 2.82Š|
| 371 | E | 27.7 | Very low | 35.9 | Very low | 181 Ų | 181 | 109.5 Ų | 109.5 | 85% | 0.846 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | -5 | 166.2 | -55 | -153.5 | 130.5 | 0 | 0 | 119.7 | ||
| 372 | M | 28.2 | Very low | 34 | Very low | 148 Ų | 148 | 116.6 Ų | 116.6 | 73% | 0.729 | 58% | 0.582 | S | S | * | * | B | Isolated β-bridge | trans | -122.6 | 156.8 | 178.1 | -74.8 | -176.4 | -86.9 | 0 | 0 | 112.9 | S370 M374 | S370-M372 PolarHBondContact O-N 2.82Å; M372-M374 PolarHBondContact O-N 2.86Å |
| 373 | Y | 32.4 | Very low | 32.4 | Very low | 45 Ų | 45 | 112 Ų | 112 | 18% | 0.176 | 58% | 0.578 | C | S | . | * | trans | -91.9 | 88 | -173.1 | -72.4 | -82.7 | 0 | 0 | 0 | 112.6 | P86 Y100 R344 L366 | P86-Y373 HydrophobicContact CG-CD2 3.94Å; P86-Y373 HydrophobicContact CG-CE2 4.25Å; P86-Y373 WeakPolarHBondContact O-CE2 3.43Å; Y100-Y373 HydrophobicContact CD1-CE1 4.25Å; Y100-Y373 HydrophobicContact CD2-CE1 4.46Å; Y100-Y373 AromaticContact CD2-CZ 3.96Å; Y100-Y373 WeakPolarHBondContact CD2-OH 3.46Å; Y100-Y373 AromaticContact CE1-CE1 3.6Å; Y100-Y373 HydrophobicContact CE1-CE1 3.6Å; Y100-Y373 AromaticContact CE2-CE1 3.85Å; Y100-Y373 HydrophobicContact CE2-CE1 3.85Å; Y100-Y373 HydrophobicContact CE2-CE2 4.38Å; Y100-Y373 AromaticContact CE2-CZ 3.61Å; Y100-Y373 WeakPolarHBondContact CE2-OH 3.36Å; Y100-Y373 AromaticContact CZ-CE1 3.36Å; Y100-Y373 AromaticContact CZ-CZ 3.66Å; Y100-Y373 WeakPolarHBondContact OH-CE1 3.44Å; R344-Y373 PolarHBondContact NH2-O 3.49Å; L366-Y373 HydrophobicContact CD2-CD1 3.72Å; L366-Y373 HydrophobicContact CD2-CE1 4.11Å | ||
| 374 | M | 29.1 | Very low | 30.9 | Very low | 143 Ų | 143 | 117.5 Ų | 117.5 | 70% | 0.704 | 61% | 0.605 | S | S | * | * | trans | -80.8 | 153.4 | 165.8 | -159.6 | 168.9 | 77.5 | 0 | 0 | 111.2 | M372 | M372-M374 PolarHBondContact O-N 2.86Š| ||
| 375 | L | 31.9 | Very low | 29.7 | Very low | 43 Ų | 43 | 115.6 Ų | 115.6 | 23% | 0.225 | 62% | 0.619 | C | S | . | * | trans | -114.7 | 136.9 | -176.8 | -66.6 | 170.1 | 0 | 0 | 0 | 109.8 | R344 L366 G377 N419 | R344-L375 HydrophobicContact CG-CD1 4.39Å; L366-L375 HydrophobicContact CD1-CD2 3.99Å; L375-G377 PolarHBondContact O-N 3.48Å; L375-N419 HydrophobicContact CD1-CB 4.02Å; L375-N419 WeakPolarHBondContact CD1-OD1 3.49Å; L375-N419 HydrophobicContact CD2-CB 3.85Å; L375-N419 HydrophobicContact CG-CB 4.46Å | ||
| 376 | E | 31.7 | Very low | 28.9 | Very low | 95 Ų | 95 | 122.3 Ų | 122.3 | 44% | 0.444 | 65% | 0.652 | S | S | . | * | trans | -80.7 | 103.3 | 177.4 | -76.5 | -165.4 | 140.4 | 0 | 0 | 111 | ||||
| 377 | G | 29.7 | Very low | 28.3 | Very low | 53 Ų | 53 | 128.2 Ų | 128.2 | 55% | 0.546 | 68% | 0.683 | S | S | . | * | trans | -74.9 | 171.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L375 | L375-G377 PolarHBondContact O-N 3.48Š| ||
| 378 | P | 27.4 | Very low | 28 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 84% | 0.838 | 69% | 0.688 | S | S | * | * | trans | -62.3 | 139.6 | 179.9 | 26.1 | -34 | 0 | 0 | 0 | 112.2 | N380 | P378-N380 PolarHBondContact O-N 2.78Š| ||
| 379 | K | 26.3 | Very low | 27.8 | Very low | 170 Ų | 170 | 127.1 Ų | 127.1 | 74% | 0.739 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -74.2 | 85 | -175.2 | -65.5 | 179.4 | -178.1 | 175.3 | 0 | 112.3 | ||
| 380 | N | 26.6 | Very low | 27.7 | Very low | 158 Ų | 158 | 130.2 Ų | 130.2 | 85% | 0.845 | 71% | 0.706 | S | S | * | * | trans | -145.1 | 46.7 | 170.3 | -97.6 | -17.5 | 0 | 0 | 0 | 111.7 | P378 | P378-N380 PolarHBondContact O-N 2.78Š| ||
| 381 | L | 25.4 | Very low | 27.5 | Very low | 171 Ų | 171 | 132 Ų | 132 | 90% | 0.895 | 71% | 0.713 | S | S | * | * | trans | -158.4 | 57.7 | 174.6 | -117.2 | 166.3 | 0 | 0 | 0 | 113.8 | ||||
| 382 | I | 25.2 | Very low | 27.4 | Very low | 165 Ų | 165 | 129.7 Ų | 129.7 | 85% | 0.846 | 71% | 0.712 | S | S | * | * | trans | -139.4 | 118.5 | 157.2 | -58.2 | 178.8 | 0 | 0 | 0 | 107.5 | ||||
| 383 | V | 25.3 | Very low | 27.2 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | trans | 180 | 126.6 | 142.9 | 141 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 384 | M | 24.1 | Very low | 26.7 | Very low | 187 Ų | 187 | 136.5 Ų | 136.5 | 92% | 0.921 | 75% | 0.75 | S | S | * | * | trans | 69.7 | 147 | 172.9 | -52 | -117.7 | -104.9 | 0 | 0 | 117.1 | ||||
| 385 | G | 25.9 | Very low | 26.5 | Very low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | cis | -136.6 | 161.9 | 4.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 386 | N | 25.4 | Very low | 26 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | -76.4 | 142.6 | -176.7 | -54.1 | -41.6 | 0 | 0 | 0 | 112.3 | ||||
| 387 | N | 27.9 | Very low | 25.6 | Very low | 141 Ų | 141 | 144.6 Ų | 144.6 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | -178 | 132.7 | 113.2 | -92.8 | -28.4 | 0 | 0 | 0 | 115.4 | |||||
| 388 | Q | 28.3 | Very low | 25.3 | Very low | 160 Ų | 160 | 146.4 Ų | 146.4 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | 65.5 | 121.7 | 144.2 | -60.8 | -176.9 | 3.2 | 0 | 0 | 122.9 | ||||
| 389 | Q | 26.7 | Very low | 25.1 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | 70.9 | 93.7 | 138.5 | -65.7 | -175.7 | -4 | 0 | 0 | 121.9 | ||||
| 390 | T | 25.6 | Very low | 25.2 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | 39.9 | 116.1 | 124.3 | 55.7 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 391 | T | 25.9 | Very low | 25.1 | Very low | 144 Ų | 144 | 141.4 Ų | 141.4 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | -172.2 | 166 | 111.9 | 20.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 392 | T | 26 | Very low | 25.2 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -87.7 | 131.6 | -177.9 | 50.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 393 | T | 23.5 | Very low | 25.3 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 91% | 0.908 | 78% | 0.782 | S | S | * | * | trans | -153.6 | 167.6 | 155.5 | -3.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 394 | K | 23.5 | Very low | 25.4 | Very low | 187 Ų | 187 | 138.5 Ų | 138.5 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -85.9 | 153.8 | -179.1 | -60 | 173.5 | 177.2 | 174.9 | 0 | 112.5 | ||||
| 395 | T | 24.1 | Very low | 25.6 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | trans | 27.1 | 108.8 | 150.2 | 51.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 396 | I | 22.6 | Very low | 25.6 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | -139.8 | 138.1 | 135.9 | -52.6 | -177.9 | 0 | 0 | 0 | 107.5 | T398 | I396-T398 HydrophobicContact CB-CG2 4.29Å; I396-T398 HydrophobicContact CG2-CG2 3.79Å | ||
| 397 | I | 22.7 | Very low | 25.8 | Very low | 172 Ų | 172 | 143.1 Ų | 143.1 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | -90.3 | 100.9 | 156.7 | -63.9 | 175.5 | 0 | 0 | 0 | 105.2 | ||||
| 398 | T | 23.3 | Very low | 25.7 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 56% | 0.558 | 76% | 0.759 | S | S | * | * | trans | -76.1 | 131.7 | 178.1 | 48 | 0 | 0 | 0 | 0 | 110 | I396 D400 | I396-T398 HydrophobicContact CB-CG2 4.29Å; I396-T398 HydrophobicContact CG2-CG2 3.79Å; T398-D400 PolarHBondContact OG1-OD1 3.24Å | ||
| 399 | A | 23.6 | Very low | 25.5 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | trans | -86.3 | 110.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | T401 | A399-T401 PolarHBondContact O-N 2.89Š| ||
| 400 | D | 28.2 | Very low | 25.7 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 78% | 0.775 | 75% | 0.745 | S | S | * | * | trans | -73.1 | 125.9 | -174.2 | -65.9 | -20.3 | 0 | 0 | 0 | 111 | T398 | T398-D400 PolarHBondContact OG1-OD1 3.24Š| ||
| 401 | T | 25 | Very low | 25.7 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | trans | -110.8 | 116.2 | 177.4 | 54.3 | 0 | 0 | 0 | 0 | 110.7 | A399 | A399-T401 PolarHBondContact O-N 2.89Š| ||
| 402 | N | 26.1 | Very low | 25.7 | Very low | 146 Ų | 146 | 137.8 Ų | 137.8 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | trans | 66.9 | 140.8 | 152.9 | -58.7 | -13.3 | 0 | 0 | 0 | 116.8 | ||||
| 403 | N | 27 | Very low | 25.6 | Very low | 135 Ų | 135 | 138 Ų | 138 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | cis | -166.1 | 179.4 | -12.9 | -135.1 | 9 | 0 | 0 | 0 | 109.5 | ||||
| 404 | N | 28.1 | Very low | 25.8 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 65% | 0.647 | 71% | 0.709 | S | S | * | * | trans | 70.1 | 133.5 | 168.9 | -67.3 | 48.6 | 0 | 0 | 0 | 115.9 | ||||
| 405 | D | 28.2 | Very low | 26.1 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 65% | 0.652 | 69% | 0.694 | S | S | * | * | cis | -151.1 | 152.3 | -3.4 | -98.8 | -36 | 0 | 0 | 0 | 112.5 | ||||
| 406 | N | 25.2 | Very low | 26.6 | Very low | 139 Ų | 139 | 132.4 Ų | 132.4 | 74% | 0.743 | 69% | 0.693 | S | S | * | * | trans | 51.5 | 91.8 | 155.7 | -63 | -43 | 0 | 0 | 0 | 120 | ||||
| 407 | Y | 31.3 | Very low | 27.5 | Very low | 244 Ų | 244 | 127.6 Ų | 127.6 | 96% | 0.957 | 68% | 0.679 | S | S | * | * | -156 | 133.7 | 115.3 | -110 | -73.7 | 0 | 0 | 0 | 110.6 | |||||
| 408 | N | 24.9 | Very low | 28.4 | Very low | 91 Ų | 91 | 120.7 Ų | 120.7 | 49% | 0.487 | 64% | 0.644 | S | S | . | * | trans | -98.9 | 155.4 | -168.8 | -121 | -11.3 | 0 | 0 | 0 | 113 | S559 | N408-S559 PolarHBondContact ND2-OG 2.88Š| ||
| 409 | N | 24.3 | Very low | 29.7 | Very low | 77 Ų | 77 | 117.5 Ų | 117.5 | 41% | 0.412 | 62% | 0.624 | S | S | . | * | trans | 76.1 | 98.1 | 176.9 | -55.6 | -78.9 | 0 | 0 | 0 | 117.8 | K562 | N409-K562 WeakPolarHBondContact OD1-CD 3.47Å; N409-K562 WeakPolarHBondContact OD1-CE 3.42Å; N409-K562 PolarHBondContact OD1-NZ 2.9Å | ||
| 410 | H | 30.5 | Very low | 31.3 | Very low | 173 Ų | 173 | 113.1 Ų | 113.1 | 80% | 0.801 | 59% | 0.587 | S | S | * | * | -155.2 | 161.6 | 95.4 | -118.4 | -101.1 | 0 | 0 | 0 | 112.3 | |||||
| 411 | K | 26.2 | Very low | 32.9 | Very low | 168 Ų | 168 | 106.3 Ų | 106.3 | 73% | 0.73 | 55% | 0.551 | S | S | * | * | trans | -75.6 | 151.1 | -176.9 | -74.9 | 179.2 | 175.8 | -178.7 | 0 | 112 | ||||
| 412 | D | 24.9 | Very low | 34.7 | Very low | 113 Ų | 113 | 102.1 Ų | 102.1 | 60% | 0.604 | 52% | 0.522 | S | S | * | . | trans | -63.1 | 128.9 | 173.9 | -38.9 | -110.7 | 0 | 0 | 0 | 111.5 | K566 | D412-K566 IonicContact OD1-NZ 3.22Å; D412-K566 PolarHBondContact OD1-NZ 3.22Å; D412-K566 VanDerWaalsContact OD2-CE 3.23Å; D412-K566 WeakPolarHBondContact OD2-CE 3.45Å; D412-K566 IonicContact OD2-NZ 2.82Å; D412-K566 PolarHBondContact OD2-NZ 3.23Å | ||
| 413 | N | 25.2 | Very low | 36.5 | Very low | 138 Ų | 138 | 98.1 Ų | 98.1 | 74% | 0.738 | 50% | 0.499 | S | S | * | . | trans | 175.5 | 176 | 143.3 | -94.9 | -28 | 0 | 0 | 0 | 112.3 | ||||
| 414 | W | 26.9 | Very low | 38 | Very low | 146 Ų | 146 | 92.5 Ų | 92.5 | 55% | 0.553 | 47% | 0.468 | S | S | * | . | trans | 79.3 | 135 | 177.3 | -52.5 | 109.7 | 0 | 0 | 0 | 117.8 | P234 L250 | P234-W414 HydrophobicContact CB-CZ3 4.06Å; P234-W414 HydrophobicContact CG-CE3 4.43Å; P234-W414 HydrophobicContact CG-CZ3 3.97Å; L250-W414 WeakPolarHBondContact O-CH2 3.48Å; L250-W414 WeakPolarHBondContact O-CZ3 3.37Å | ||
| 415 | P | 29.5 | Very low | 39.1 | Very low | 75 Ų | 75 | 88.3 Ų | 88.3 | 49% | 0.487 | 45% | 0.448 | S | S | . | . | trans | -68 | 128.3 | 160.1 | -11.5 | 27.6 | 0 | 0 | 0 | 109.7 | G417 | P415-G417 PolarHBondContact O-N 2.98Š| ||
| 416 | T | 34.9 | Very low | 39.8 | Very low | 131 Ų | 131 | 87.9 Ų | 87.9 | 80% | 0.804 | 45% | 0.45 | S | S | * | . | trans | -75.7 | 89.7 | -172.2 | 53.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 417 | G | 41.1 | Very low | 40.6 | Very low | 44 Ų | 44 | 85.4 Ų | 85.4 | 45% | 0.454 | 44% | 0.444 | S | S | . | . | trans | 99 | 174.6 | 141.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | Y341 P415 N419 | Y341-G417 PolarHBondContact OH-O 3.19Å; P415-G417 PolarHBondContact O-N 2.98Å; G417-N419 PolarHBondContact O-N 3.37Å; G417-N419 PolarHBondContact O-ND2 3.33Å | ||
| 418 | L | 41.7 | Very low | 41.2 | Very low | 28 Ų | 28 | 78.1 Ų | 78.1 | 15% | 0.147 | 42% | 0.415 | C | S | . | . | trans | -76.6 | 93.8 | 176.1 | -128.2 | 168.9 | 0 | 0 | 0 | 109.1 | Y341 L361 R364 L421 | Y341-L418 HydrophobicContact CD2-CD2 3.64Å; Y341-L418 HydrophobicContact CD2-CG 4.06Å; Y341-L418 HydrophobicContact CE2-CD2 3.91Å; Y341-L418 HydrophobicContact CE2-CG 3.93Å; L361-L418 HydrophobicContact CD2-CD1 4.23Å; R364-L418 WeakPolarHBondContact CD-O 3.37Å; R364-L418 PolarHBondContact NH1-O 3.14Å; L418-L421 HydrophobicContact CD2-CB 4.02Å | ||
| 419 | N | 51 | Low | 41.7 | Very low | 24 Ų | 24 | 81.8 Ų | 81.8 | 13% | 0.128 | 43% | 0.427 | C | S | . | . | trans | -80.8 | -23.5 | -169.6 | -64.8 | -45.9 | 0 | 0 | 0 | 113.8 | I342 L375 G417 | I342-N419 WeakPolarHBondContact O-CB 3.45Å; L375-N419 HydrophobicContact CD1-CB 4.02Å; L375-N419 WeakPolarHBondContact CD1-OD1 3.49Å; L375-N419 HydrophobicContact CD2-CB 3.85Å; L375-N419 HydrophobicContact CG-CB 4.46Å; G417-N419 PolarHBondContact O-N 3.37Å; G417-N419 PolarHBondContact O-ND2 3.33Å | ||
| 420 | G | 56.7 | Low | 42.3 | Very low | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172 | 142.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | I342 R364 | I342-G420 PolarHBondContact N-O 2.79Å; R364-G420 WeakPolarHBondContact O-CA 3.38Å |
| 421 | L | 62.6 | Low | 42.1 | Very low | 2 Ų | 2 | 79.2 Ų | 79.2 | 1% | 0.01 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 126.2 | 171.2 | -174.9 | 74.1 | 0 | 0 | 0 | 106.7 | A308 L340 A357 L361 I363 R364 L418 | A308-L421 HydrophobicContact CB-CD1 4.15Å; L340-L421 WeakPolarHBondContact O-CA 3.21Å; A357-L421 HydrophobicContact CB-CD1 4.08Å; A357-L421 HydrophobicContact CB-CD2 3.65Å; A357-L421 HydrophobicContact CB-CG 4.4Å; L361-L421 HydrophobicContact CB-CD2 4.49Å; L361-L421 HydrophobicContact CD2-CD2 4.14Å; I363-L421 WeakPolarHBondContact CA-O 3.46Å; I363-L421 VanDerWaalsContact CG2-O 3.24Å; I363-L421 WeakPolarHBondContact CG2-O 3.49Å; R364-L421 PolarHBondContact N-O 3.49Å; R364-L421 PolarHBondContact O-N 3.19Å; L418-L421 HydrophobicContact CD2-CB 4.02Å |
| 422 | Y | 62.7 | Low | 42.1 | Very low | 28 Ų | 28 | 77.4 Ų | 77.4 | 11% | 0.11 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 130.3 | -174.4 | -66.5 | -99.4 | 0 | 0 | 0 | 110.7 | F109 S339 L340 I342 | F109-Y422 HydrophobicContact CD2-CE1 4.34Å; F109-Y422 HydrophobicContact CE2-CE2 4.39Å; S339-Y422 CarbonylContact C-O 3.6Å; S339-Y422 WeakPolarHBondContact CA-O 3.24Å; L340-Y422 PolarHBondContact N-O 3.35Å; L340-Y422 PolarHBondContact O-N 3.07Å; I342-Y422 HydrophobicContact CD1-CD2 4.01Å; I342-Y422 HydrophobicContact CD1-CE2 3.63Å; I342-Y422 HydrophobicContact CG1-CD2 4.31Å; I342-Y422 HydrophobicContact CG1-CE2 4.22Å |
| 423 | E | 63.9 | Low | 42.3 | Very low | 61 Ų | 61 | 75.4 Ų | 75.4 | 29% | 0.285 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 131.8 | 173.6 | -175.9 | -174.4 | 179.6 | 0 | 0 | 111 | I363 L453 L456 | I363-E423 HydrophobicContact CD1-CB 3.82Å; E423-L453 VanDerWaalsContact O-CD2 3.3Å; E423-L453 WeakPolarHBondContact O-CD2 3.49Å; E423-L456 VanDerWaalsContact OE2-CD1 3.24Å; E423-L456 WeakPolarHBondContact OE2-CD1 3.45Å |
| 424 | L | 58.6 | Low | 42.4 | Very low | 17 Ų | 17 | 75 Ų | 75 | 9% | 0.089 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 151.3 | 172 | -63.3 | 175.4 | 0 | 0 | 0 | 110.5 | P338 L340 M354 Y428 L453 | P338-L424 HydrophobicContact CB-CB 4.41Å; P338-L424 HydrophobicContact CB-CD1 4.07Å; P338-L424 WeakPolarHBondContact O-CB 3.39Å; P338-L424 PolarHBondContact O-N 3.03Å; L340-L424 HydrophobicContact CB-CD2 4.3Å; M354-L424 HydrophobicContact CG-CD1 4.22Å; M354-L424 HydrophobicContact SD-CD1 4.21Å; L424-Y428 HydrophobicContact CD1-CD1 4.37Å; L424-L453 HydrophobicContact CD2-CD2 3.98Å |
| 425 | P | 50.6 | Low | 42.4 | Very low | 33 Ų | 33 | 71.3 Ų | 71.3 | 21% | 0.214 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -65 | 150.2 | -174.2 | -10.8 | 28.2 | 0 | 0 | 0 | 109.8 | S427 Y428 L453 | P425-S427 PolarHBondContact O-N 3.43Å; P425-Y428 VanDerWaalsContact O-CB 3.25Å; P425-Y428 WeakPolarHBondContact O-CB 3.37Å; P425-Y428 PolarHBondContact O-N 2.89Å; P425-L453 HydrophobicContact CG-CD2 3.86Å |
| 426 | T | 43.3 | Very low | 42.4 | Very low | 113 Ų | 113 | 74.1 Ų | 74.1 | 69% | 0.693 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -59.1 | -19 | -176.1 | 49.3 | 0 | 0 | 0 | 0 | 114.8 | Y428 K429 | T426-Y428 PolarHBondContact O-N 3.3Å; T426-K429 PolarHBondContact O-N 2.85Å |
| 427 | S | 42.5 | Very low | 42 | Very low | 88 Ų | 88 | 73.5 Ų | 73.5 | 62% | 0.615 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -70.3 | 3.1 | 168.3 | 54.6 | 0 | 0 | 0 | 0 | 115.1 | P425 | P425-S427 PolarHBondContact O-N 3.43Š|
| 428 | Y | 43.3 | Very low | 41.3 | Very low | 91 Ų | 91 | 76.9 Ų | 76.9 | 36% | 0.357 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -108.2 | 7.4 | 172.6 | -123.1 | -77.6 | 0 | 0 | 0 | 112.7 | M354 L424 P425 T426 K430 | M354-Y428 HydrophobicContact SD-CE1 4.34Å; L424-Y428 HydrophobicContact CD1-CD1 4.37Å; P425-Y428 VanDerWaalsContact O-CB 3.25Å; P425-Y428 WeakPolarHBondContact O-CB 3.37Å; P425-Y428 PolarHBondContact O-N 2.89Å; T426-Y428 PolarHBondContact O-N 3.3Å; Y428-K430 PolarHBondContact O-N 3.25Å |
| 429 | K | 35.3 | Very low | 40.7 | Very low | 167 Ų | 167 | 82.5 Ų | 82.5 | 73% | 0.726 | 43% | 0.43 | S | S | * | . | trans | -62.4 | 110.5 | 169.2 | -82.4 | -160.4 | 171.5 | -166.3 | 0 | 109 | T426 | T426-K429 PolarHBondContact O-N 2.85Š| ||
| 430 | K | 36.3 | Very low | 39.7 | Very low | 105 Ų | 105 | 84 Ų | 84 | 46% | 0.457 | 44% | 0.439 | S | S | . | . | trans | -53.1 | 134.4 | -172.8 | -70.3 | -176.1 | 169.7 | -171.2 | 0 | 112.7 | Y428 | Y428-K430 PolarHBondContact O-N 3.25Š| ||
| 431 | T | 27.9 | Very low | 38.4 | Very low | 91 Ų | 91 | 89.6 Ų | 89.6 | 56% | 0.558 | 47% | 0.469 | S | S | * | . | trans | -59.7 | 137.4 | 145.9 | 40.1 | 0 | 0 | 0 | 0 | 108.9 | S433 I439 | T431-S433 VanDerWaalsContact C-N 3.27Å; T431-S433 PolarHBondContact O-N 2.84Å; T431-I439 HydrophobicContact CG2-CD1 4.18Å | ||
| 432 | S | 26.2 | Very low | 36.6 | Very low | 131 Ų | 131 | 98.1 Ų | 98.1 | 92% | 0.916 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -80 | 69.3 | -173.8 | 55.7 | 0 | 0 | 0 | 0 | 112.6 | ||
| 433 | S | 28.4 | Very low | 34.8 | Very low | 71 Ų | 71 | 101.3 Ų | 101.3 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | trans | -144.8 | 123 | 167.1 | 54.8 | 0 | 0 | 0 | 0 | 109 | T431 D435 | T431-S433 VanDerWaalsContact C-N 3.27Å; T431-S433 PolarHBondContact O-N 2.84Å; S433-D435 PolarHBondContact O-N 2.84Å | ||
| 434 | W | 27.1 | Very low | 33 | Very low | 130 Ų | 130 | 105.3 Ų | 105.3 | 49% | 0.492 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -89.5 | 36.2 | 179.9 | -103 | 93.5 | 0 | 0 | 0 | 112.5 | A303 F304 T305 | A303-W434 HydrophobicContact CB-CE3 4.16Å; F304-W434 VanDerWaalsContact O-CH2 3.29Å; F304-W434 WeakPolarHBondContact O-CH2 3.3Å; F304-W434 WeakPolarHBondContact O-CZ3 3.38Å; T305-W434 HydrophobicContact CG2-CH2 4.4Å; T305-W434 HydrophobicContact CG2-CZ2 4Å; T305-W434 WeakPolarHBondContact OG1-CH2 3.41Å; T305-W434 WeakPolarHBondContact OG1-CZ2 3.46Å |
| 435 | D | 26.4 | Very low | 31.5 | Very low | 68 Ų | 68 | 108.7 Ų | 108.7 | 36% | 0.364 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -140 | 157.4 | -178.4 | -89.4 | -67.7 | 0 | 0 | 0 | 111.6 | A219 S433 N437 | A219-D435 WeakPolarHBondContact CA-OD2 3.32Å; A219-D435 HydrophobicContact CB-CB 4.17Å; A219-D435 WeakPolarHBondContact CB-OD2 3.28Å; S433-D435 PolarHBondContact O-N 2.84Å; D435-N437 PolarHBondContact O-N 2.94Å |
| 436 | D | 30.1 | Very low | 30.3 | Very low | 133 Ų | 133 | 114 Ų | 114 | 71% | 0.711 | 61% | 0.61 | S | S | * | * | trans | -64.7 | 108.7 | 171.3 | -82.7 | -53.2 | 0 | 0 | 0 | 110.7 | ||||
| 437 | N | 26.6 | Very low | 29.5 | Very low | 119 Ų | 119 | 115.8 Ų | 115.8 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | trans | -171.9 | 132.6 | 137.7 | -106.8 | -76.2 | 0 | 0 | 0 | 113.9 | D435 | D435-N437 PolarHBondContact O-N 2.94Š| ||
| 438 | R | 25.7 | Very low | 28.8 | Very low | 114 Ų | 114 | 120.8 Ų | 120.8 | 43% | 0.43 | 62% | 0.623 | S | S | . | * | trans | 53.9 | 116.4 | 150.6 | -60.5 | 173.9 | -168.5 | -162 | -4.4 | 120.7 | R1025 C1026 T1027 | R438-R1025 PolarHBondContact NH1-O 3.39Å; R438-R1025 VanDerWaalsContact NH1-O 3.1Å; R438-C1026 PolarHBondContact NH2-SG 3.35Å; R438-T1027 HydrophobicContact CG-CG2 3.9Å; R438-T1027 PolarHBondContact NH2-OG1 3.3Å | ||
| 439 | I | 29.9 | Very low | 28.2 | Very low | 146 Ų | 146 | 126.4 Ų | 126.4 | 75% | 0.749 | 64% | 0.643 | S | S | * | * | -131.2 | 122.6 | 117.9 | -60.8 | -176.7 | 0 | 0 | 0 | 107.6 | T431 | T431-I439 HydrophobicContact CG2-CD1 4.18Š| |||
| 440 | D | 29 | Very low | 28.2 | Very low | 57 Ų | 57 | 120.5 Ų | 120.5 | 31% | 0.305 | 63% | 0.63 | S | S | . | * | trans | -90.9 | 138.8 | 172.2 | -74.7 | -20.6 | 0 | 0 | 0 | 111.5 | ||||
| 441 | D | 28.9 | Very low | 28.5 | Very low | 117 Ų | 117 | 123.2 Ų | 123.2 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | trans | 27.9 | 117 | 151.9 | -63.7 | -19.2 | 0 | 0 | 0 | 122.2 | ||||
| 442 | Q | 26.1 | Very low | 29 | Very low | 181 Ų | 181 | 124.7 Ų | 124.7 | 85% | 0.846 | 64% | 0.637 | S | S | * | * | trans | -111.8 | 149.5 | 130.7 | -87.8 | -81.7 | -29.8 | 0 | 0 | 108.2 | M444 | Q442-M444 PolarHBondContact O-N 3.13Š| ||
| 443 | P | 25.2 | Very low | 29.6 | Very low | 94 Ų | 94 | 119.3 Ų | 119.3 | 61% | 0.61 | 60% | 0.598 | S | S | * | * | trans | -77.4 | 120.7 | -155.3 | 29.5 | -34.3 | 0 | 0 | 0 | 113.4 | S445 | P443-S445 PolarHBondContact O-N 3.36Å; P443-S445 VanDerWaalsContact O-N 3.11Å | ||
| 444 | M | 26.7 | Very low | 30.1 | Very low | 146 Ų | 146 | 124.6 Ų | 124.6 | 72% | 0.719 | 61% | 0.612 | S | S | * | * | trans | -83.8 | 28 | 178.5 | -146.7 | -178.9 | 78.2 | 0 | 0 | 114.5 | Q442 T446 M447 | Q442-M444 PolarHBondContact O-N 3.13Å; M444-T446 PolarHBondContact O-N 2.77Å; M444-M447 HydrophobicContact CG-CB 3.61Å; M444-M447 HydrophobicContact SD-CB 4.17Å | ||
| 445 | S | 25.2 | Very low | 30.7 | Very low | 87 Ų | 87 | 123.7 Ų | 123.7 | 61% | 0.608 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 114.3 | 158.8 | 48.9 | 0 | 0 | 0 | 0 | 108.5 | P443 | P443-S445 PolarHBondContact O-N 3.36Å; P443-S445 VanDerWaalsContact O-N 3.11Å |
| 446 | T | 25.6 | Very low | 30.9 | Very low | 146 Ų | 146 | 126.5 Ų | 126.5 | 90% | 0.896 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86.2 | 26.3 | 179.1 | 77.3 | 0 | 0 | 0 | 0 | 119.6 | M444 | M444-T446 PolarHBondContact O-N 2.77Š|
| 447 | M | 27.4 | Very low | 30.9 | Very low | 149 Ų | 149 | 126 Ų | 126 | 73% | 0.734 | 62% | 0.624 | S | S | * | * | trans | -106.8 | 115.6 | 165.7 | -125.8 | -178.9 | -170 | 0 | 0 | 114.8 | M444 | M444-M447 HydrophobicContact CG-CB 3.61Å; M444-M447 HydrophobicContact SD-CB 4.17Å | ||
| 448 | K | 28.4 | Very low | 30.9 | Very low | 193 Ų | 193 | 125.7 Ų | 125.7 | 84% | 0.839 | 63% | 0.632 | S | S | * | * | trans | -92.8 | 138.5 | 178.1 | -65.7 | 170.3 | 179.3 | 169.8 | 0 | 110.8 | ||||
| 449 | R | 30.4 | Very low | 31 | Very low | 210 Ų | 210 | 126.2 Ų | 126.2 | 79% | 0.792 | 65% | 0.648 | S | S | * | * | S | Bend | trans | 71.4 | 132.6 | 176.8 | -58.7 | 173.5 | 167.5 | 160.5 | -4.6 | 114.7 | ||
| 450 | G | 34.3 | Very low | 30.8 | Very low | 43 Ų | 43 | 124.5 Ų | 124.5 | 44% | 0.443 | 65% | 0.649 | S | S | . | * | trans | -68.1 | 167.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R452 | G450-R452 PolarHBondContact O-N 3.33Š| ||
| 451 | K | 42.5 | Very low | 30.7 | Very low | 161 Ų | 161 | 126.4 Ų | 126.4 | 70% | 0.7 | 67% | 0.666 | S | S | * | * | trans | -61 | 120.3 | -175.4 | -61.3 | 176.7 | -176.7 | 176.9 | 0 | 110.7 | ||||
| 452 | R | 38.8 | Very low | 30.6 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 46% | 0.46 | 67% | 0.671 | S | S | . | * | trans | -104.6 | 124.2 | -173.1 | -80.8 | -179.2 | 161.1 | -163 | -13.2 | 112.1 | L108 G450 K454 | L108-R452 HydrophobicContact CD2-CB 3.63Å; L108-R452 HydrophobicContact CD2-CG 3.86Å; G450-R452 PolarHBondContact O-N 3.33Å; R452-K454 PolarHBondContact O-N 3.11Å | ||
| 453 | L | 39.4 | Very low | 30.6 | Very low | 18 Ų | 18 | 124.2 Ų | 124.2 | 9% | 0.094 | 67% | 0.669 | C | S | . | * | trans | -70.1 | 112.4 | 170.9 | -68.6 | 167.6 | 0 | 0 | 0 | 110.5 | L108 F109 E423 L424 P425 | L108-L453 WeakPolarHBondContact CD2-O 3.44Å; L108-L453 WeakPolarHBondContact CG-O 3.21Å; F109-L453 HydrophobicContact CB-CD1 3.72Å; E423-L453 VanDerWaalsContact O-CD2 3.3Å; E423-L453 WeakPolarHBondContact O-CD2 3.49Å; L424-L453 HydrophobicContact CD2-CD2 3.98Å; P425-L453 HydrophobicContact CG-CD2 3.86Å | ||
| 454 | K | 38.2 | Very low | 30.6 | Very low | 183 Ų | 183 | 124.3 Ų | 124.3 | 80% | 0.796 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -87 | 138.5 | 175.8 | -80.7 | -171.7 | 175.7 | -177.5 | 0 | 111.1 | R452 | R452-K454 PolarHBondContact O-N 3.11Š|
| 455 | R | 39.9 | Very low | 30.6 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 42% | 0.419 | 67% | 0.674 | S | S | . | * | P | Polyproline II helix | trans | -79.9 | 124.6 | 162.3 | -169.8 | -175.8 | -160 | 157.9 | 10.7 | 108.6 | G365 T457 | G365-R455 PolarHBondContact O-NH2 3.09Å; R455-T457 HydrophobicContact CG-CG2 4.25Å |
| 456 | L | 31.3 | Very low | 30.6 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 66% | 0.66 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 135.6 | 165.7 | -73.3 | 176.4 | 0 | 0 | 0 | 109.9 | E423 | E423-L456 VanDerWaalsContact OE2-CD1 3.24Å; E423-L456 WeakPolarHBondContact OE2-CD1 3.45Å |
| 457 | T | 30.6 | Very low | 30.4 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 75% | 0.748 | 69% | 0.686 | S | S | * | * | trans | -135.5 | 102 | -179.4 | 54.4 | 0 | 0 | 0 | 0 | 111.6 | R455 | R455-T457 HydrophobicContact CG-CG2 4.25Š| ||
| 458 | S | 26.3 | Very low | 30.2 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 80% | 0.797 | 68% | 0.684 | S | S | * | * | trans | -146.3 | 144.4 | 161.8 | 57.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 459 | V | 26.7 | Very low | 30 | Very low | 125 Ų | 125 | 126 Ų | 126 | 76% | 0.758 | 68% | 0.684 | S | S | * | * | S | Bend | cis | -134.1 | 154.4 | 14.5 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | ||
| 460 | S | 26.5 | Very low | 29.6 | Very low | 110 Ų | 110 | 123.4 Ų | 123.4 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | trans | 60 | 136.8 | 161.3 | 58.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 461 | S | 26.4 | Very low | 29.2 | Very low | 97 Ų | 97 | 127.3 Ų | 127.3 | 68% | 0.678 | 70% | 0.699 | S | S | * | * | trans | -70.1 | 173.4 | 162.5 | 52.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 462 | D | 26.6 | Very low | 28.4 | Very low | 135 Ų | 135 | 124.5 Ų | 124.5 | 72% | 0.722 | 70% | 0.697 | S | S | * | * | -159.5 | 157.5 | 65.3 | -84.1 | -27.1 | 0 | 0 | 0 | 115.2 | |||||
| 463 | S | 26.6 | Very low | 28 | Very low | 116 Ų | 116 | 124.4 Ų | 124.4 | 81% | 0.811 | 71% | 0.713 | S | S | * | * | trans | 65.1 | 146 | 162.5 | 72 | 0 | 0 | 0 | 0 | 119 | ||||
| 464 | S | 25.5 | Very low | 27.5 | Very low | 96 Ų | 96 | 129.5 Ų | 129.5 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | cis | -164.9 | 147.2 | -21.7 | 49.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 465 | T | 26.2 | Very low | 26.8 | Very low | 125 Ų | 125 | 126.3 Ų | 126.3 | 77% | 0.767 | 75% | 0.748 | S | S | * | * | trans | 59.5 | 150.5 | 162.4 | 50.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 466 | M | 24.2 | Very low | 26.9 | Very low | 171 Ų | 171 | 126.7 Ų | 126.7 | 84% | 0.842 | 76% | 0.764 | S | S | * | * | cis | -140.5 | -170.7 | -6.3 | -142.9 | 179.4 | -78.1 | 0 | 0 | 110.9 | ||||
| 467 | W | 22.5 | Very low | 26.5 | Very low | 240 Ų | 240 | 128.3 Ų | 128.3 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | trans | -107.4 | 153.4 | -159.8 | -80.2 | 57.3 | 0 | 0 | 0 | 116.2 | ||||
| 468 | A | 22.3 | Very low | 26.3 | Very low | 84 Ų | 84 | 128.5 Ų | 128.5 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | trans | 53.8 | 133.4 | 141.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 469 | V | 24.4 | Very low | 26.3 | Very low | 136 Ų | 136 | 130.3 Ų | 130.3 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | -146.6 | 148 | 122.1 | 166.9 | 0 | 0 | 0 | 0 | 108.4 | V471 | V469-V471 HydrophobicContact CG1-CG2 4.28Š| |||
| 470 | I | 22.5 | Very low | 26.5 | Very low | 156 Ų | 156 | 129.8 Ų | 129.8 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | -106.7 | 134.3 | 174.2 | -61.7 | 165 | 0 | 0 | 0 | 109.6 | ||||
| 471 | V | 25.3 | Very low | 26.5 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | -143.2 | 130.7 | 159.4 | -169 | 0 | 0 | 0 | 0 | 110.2 | V469 | V469-V471 HydrophobicContact CG1-CG2 4.28Š| ||
| 472 | P | 26.5 | Very low | 26.3 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 167.3 | 174.3 | 34.7 | -35.5 | 0 | 0 | 0 | 113 | ||
| 473 | P | 30.8 | Very low | 26.4 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -79 | 144.7 | -174.6 | 31.7 | -36.2 | 0 | 0 | 0 | 113.8 | ||
| 474 | P | 27.4 | Very low | 26.2 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 146.6 | 169.1 | 34.4 | -32.7 | 0 | 0 | 0 | 113 | ||
| 475 | S | 25 | Very low | 26.4 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 166.8 | 174.5 | -65.7 | 0 | 0 | 0 | 0 | 111.8 | ||
| 476 | P | 40.6 | Very low | 26.2 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 168.2 | -163.5 | 37.4 | -37.4 | 0 | 0 | 0 | 114.4 | ||
| 477 | L | 23.2 | Very low | 26.4 | Very low | 160 Ų | 160 | 135.2 Ų | 135.2 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -170.2 | 158 | 149 | -104.1 | 155.2 | 0 | 0 | 0 | 113.9 | ||||
| 478 | T | 26.1 | Very low | 26.5 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | trans | 60 | 112.2 | 156.5 | 45.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 479 | N | 27.5 | Very low | 26.7 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -70.6 | 168.6 | 130.6 | -75.8 | -13.6 | 0 | 0 | 0 | 109.5 | ||||
| 480 | P | 31.5 | Very low | 26.7 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | cis | -121.9 | -152.3 | 18.2 | 27.9 | -1.6 | 0 | 0 | 0 | 111.7 | ||||
| 481 | T | 24.9 | Very low | 26.7 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | cis | -157.6 | -174.3 | 21 | -28.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 482 | E | 23.2 | Very low | 26.6 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | -65.1 | 150.8 | -173.4 | -58.2 | 170.2 | 155.8 | 0 | 0 | 116.6 | ||||
| 483 | T | 27.4 | Very low | 26.5 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 92% | 0.92 | 79% | 0.791 | S | S | * | * | -155.8 | 149.4 | 124.8 | -5.2 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 484 | V | 24.1 | Very low | 26.4 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -71.5 | 137.5 | -175.2 | 173.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 485 | N | 28 | Very low | 26.3 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | -170.7 | 136.7 | 130.5 | -100.4 | -38.8 | 0 | 0 | 0 | 114.4 | ||||
| 486 | S | 23.3 | Very low | 26.5 | Very low | 99 Ų | 99 | 140.6 Ų | 140.6 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | -138.2 | 141.4 | 171.3 | 63.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 487 | P | 28.8 | Very low | 25.7 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | trans | -106.2 | 128.7 | 160.8 | 33 | -25.1 | 0 | 0 | 0 | 112 | ||||
| 488 | K | 23.1 | Very low | 25.8 | Very low | 190 Ų | 190 | 139.3 Ų | 139.3 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | -104.7 | 130.9 | 161.1 | -82 | -176.6 | 175.7 | 179.2 | 0 | 109.4 | ||||
| 489 | I | 26.6 | Very low | 25.7 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | -141.9 | 106 | 157.4 | -60.1 | -177.7 | 0 | 0 | 0 | 104 | ||||
| 490 | T | 24.7 | Very low | 25.7 | Very low | 103 Ų | 103 | 140.9 Ų | 140.9 | 63% | 0.632 | 78% | 0.775 | S | S | * | * | 68.3 | 79.5 | 58.7 | -47.9 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 491 | I | 22.7 | Very low | 25.3 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | 60.9 | 120.8 | 96.3 | -61.3 | 169.3 | 0 | 0 | 0 | 113 | Q493 | I491-Q493 HydrophobicContact CG2-CG 3.84Š| |||
| 492 | L | 24.4 | Very low | 25.5 | Very low | 175 Ų | 175 | 143.1 Ų | 143.1 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | trans | -125.2 | 144 | 147 | -104.3 | 167.8 | 0 | 0 | 0 | 107.9 | ||||
| 493 | Q | 24.2 | Very low | 25.5 | Very low | 157 Ų | 157 | 142.3 Ų | 142.3 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -116.5 | 171.7 | -179.9 | -65.3 | 179.1 | -103.5 | 0 | 0 | 110.2 | I491 | I491-Q493 HydrophobicContact CG2-CG 3.84Š| ||
| 494 | D | 27.1 | Very low | 25.4 | Very low | 138 Ų | 138 | 138.6 Ų | 138.6 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | 138.8 | 145.1 | 142.1 | -73.3 | -4.8 | 0 | 0 | 0 | 111.9 | ||||
| 495 | L | 25.3 | Very low | 25.6 | Very low | 143 Ų | 143 | 139.3 Ų | 139.3 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | cis | -168.2 | -176 | -9.4 | -99.4 | 166.7 | 0 | 0 | 0 | 105.7 | ||||
| 496 | P | 30.8 | Very low | 25.5 | Very low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | cis | -130.6 | -169.8 | -41.5 | 38.8 | -21.6 | 0 | 0 | 0 | 114.7 | ||||
| 497 | V | 23.3 | Very low | 25.6 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | trans | -96.9 | 149.7 | -170.4 | 169.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 498 | N | 26.1 | Very low | 25.6 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | trans | -178.5 | 134.2 | 136.7 | -92.3 | -35.8 | 0 | 0 | 0 | 111.5 | ||||
| 499 | K | 23.6 | Very low | 25.7 | Very low | 175 Ų | 175 | 135.3 Ų | 135.3 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | 67.2 | 136.6 | 76.9 | -67.8 | -173 | -172.4 | 172.3 | 0 | 113.7 | |||||
| 500 | T | 26.1 | Very low | 25.6 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 83% | 0.828 | 76% | 0.761 | S | S | * | * | cis | -155.2 | 177.9 | 21.7 | -4.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 501 | C | 23 | Very low | 25.6 | Very low | 113 Ų | 113 | 136 Ų | 136 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | trans | -95.4 | 161.9 | -174.1 | -43.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 502 | I | 29.7 | Very low | 25.8 | Very low | 172 Ų | 172 | 137.3 Ų | 137.3 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | trans | -142 | 155.8 | 155.1 | -62.6 | -172.7 | 0 | 0 | 0 | 109.1 | ||||
| 503 | N | 24.1 | Very low | 25.8 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | -106.7 | 169.6 | -168.5 | -54.6 | -28.7 | 0 | 0 | 0 | 115.3 | ||||
| 504 | G | 24.6 | Very low | 25.9 | Very low | 72 Ų | 72 | 134.8 Ų | 134.8 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | trans | 107.3 | 149.7 | 152.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 505 | V | 29.2 | Very low | 25.9 | Very low | 139 Ų | 139 | 137.5 Ų | 137.5 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | cis | -143.5 | 165.8 | 4.9 | 171.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 506 | D | 25.3 | Very low | 26.1 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | -70.1 | 176 | -165 | -43.5 | -80.4 | 0 | 0 | 0 | 119 | ||||
| 507 | N | 25.2 | Very low | 26 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | 112.8 | 137.4 | 138.2 | -91.5 | 31.3 | 0 | 0 | 0 | 123.8 | ||||
| 508 | D | 28.8 | Very low | 26.5 | Very low | 127 Ų | 127 | 139 Ų | 139 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | trans | 75.7 | 95.1 | 144.5 | -56.8 | -23.5 | 0 | 0 | 0 | 123.6 | ||||
| 509 | S | 24.8 | Very low | 27.1 | Very low | 95 Ų | 95 | 137.9 Ų | 137.9 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | 66.4 | 123.1 | 119.2 | 71.9 | 0 | 0 | 0 | 0 | 123 | |||||
| 510 | D | 24.6 | Very low | 27.9 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | 74.9 | 126.4 | 129.8 | -63 | -8.1 | 0 | 0 | 0 | 123.9 | |||||
| 511 | D | 25.5 | Very low | 28.4 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 65% | 0.652 | 75% | 0.752 | S | S | * | * | trans | 104.7 | 146 | 133.1 | -144.7 | -2.5 | 0 | 0 | 0 | 120.6 | ||||
| 512 | K | 25.8 | Very low | 29.4 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 70% | 0.696 | 75% | 0.745 | S | S | * | * | trans | 61.2 | 107.4 | 171.2 | -72.4 | 117.8 | -172 | 163 | 0 | 120.2 | ||||
| 513 | H | 26 | Very low | 30.1 | Very low | 187 Ų | 187 | 135 Ų | 135 | 87% | 0.866 | 73% | 0.732 | S | S | * | * | 28.1 | 144.3 | 117 | -79.1 | -92.6 | 0 | 0 | 0 | 121.2 | |||||
| 514 | A | 26.2 | Very low | 31.1 | Very low | 92 Ų | 92 | 136.7 Ų | 136.7 | 76% | 0.76 | 73% | 0.727 | S | S | * | * | trans | 75 | 79.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 515 | K | 26.9 | Very low | 32.3 | Very low | 195 Ų | 195 | 140.7 Ų | 140.7 | 85% | 0.848 | 72% | 0.724 | S | S | * | * | trans | -157.1 | 57 | 157.9 | -116.3 | 158.3 | -169 | 169 | 0 | 115.5 | ||||
| 516 | I | 27.7 | Very low | 33.6 | Very low | 164 Ų | 164 | 138.2 Ų | 138.2 | 84% | 0.841 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -118.3 | 66.5 | 166.8 | -50.3 | -179.6 | 0 | 0 | 0 | 109.4 | ||
| 517 | T | 30.5 | Very low | 35.1 | Very low | 113 Ų | 113 | 135 Ų | 135 | 69% | 0.693 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -159.5 | 0.9 | -178.4 | -10.4 | 0 | 0 | 0 | 0 | 116.8 | ||
| 518 | L | 32.3 | Very low | 36.7 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 71% | 0.707 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -112.8 | -29.3 | -171.1 | -154.9 | 68.2 | 0 | 0 | 0 | 115.2 | ||
| 519 | T | 39.9 | Very low | 38.4 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 67% | 0.669 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -66.4 | -43 | 179.5 | 42.6 | 0 | 0 | 0 | 0 | 112.9 | K521 L522 F523 | T519-K521 VanDerWaalsContact C-N 3.32Å; T519-K521 PolarHBondContact O-N 3.03Å; T519-L522 PolarHBondContact O-N 2.75Å; T519-F523 PolarHBondContact O-N 2.99Å |
| 520 | N | 39.8 | Very low | 40.1 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 68% | 0.684 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -66.1 | -30.7 | -175.3 | -65.8 | 5.9 | 0 | 0 | 0 | 113.2 | W524 | N520-W524 PolarHBondContact O-N 2.83Å |
| 521 | K | 37.2 | Very low | 42 | Very low | 148 Ų | 148 | 130 Ų | 130 | 64% | 0.643 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -70.9 | -38.8 | 177.5 | -72.9 | -170 | 176 | -175.5 | 0 | 112.3 | T519 F523 W524 F525 | T519-K521 VanDerWaalsContact C-N 3.32Å; T519-K521 PolarHBondContact O-N 3.03Å; K521-F523 VanDerWaalsContact C-N 3.35Å; K521-F523 PolarHBondContact O-N 2.83Å; K521-W524 PolarHBondContact O-N 3.37Å; K521-F525 PolarHBondContact O-N 3.5Å |
| 522 | L | 44.4 | Very low | 44 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 61% | 0.613 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65 | -40.3 | 179.4 | -170.8 | 64.5 | 0 | 0 | 0 | 111.4 | T519 W524 F525 L526 | T519-L522 PolarHBondContact O-N 2.75Å; L522-W524 PolarHBondContact O-N 2.87Å; L522-F525 PolarHBondContact O-N 3.06Å; L522-L526 HydrophobicContact CD1-CD1 4.07Å; L522-L526 HydrophobicContact CG-CD1 4.1Å; L522-L526 VanDerWaalsContact O-CD1 3.27Å; L522-L526 WeakPolarHBondContact O-CD1 3.42Å; L522-L526 PolarHBondContact O-N 3.27Å |
| 523 | F | 43.1 | Very low | 45.8 | Very low | 142 Ų | 142 | 123.5 Ų | 123.5 | 62% | 0.623 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.4 | -38.1 | 177.4 | -149 | -91.6 | 0 | 0 | 0 | 112.4 | T519 K521 L526 S527 | T519-F523 PolarHBondContact O-N 2.99Å; K521-F523 VanDerWaalsContact C-N 3.35Å; K521-F523 PolarHBondContact O-N 2.83Å; F523-L526 PolarHBondContact O-N 3.41Å; F523-S527 PolarHBondContact O-N 3.17Å |
| 524 | W | 46.1 | Very low | 47.5 | Very low | 191 Ų | 191 | 117.8 Ų | 117.8 | 72% | 0.723 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62.7 | -43.6 | 173.1 | -122.2 | 85.7 | 0 | 0 | 0 | 112.2 | N520 K521 L522 S527 M528 | N520-W524 PolarHBondContact O-N 2.83Å; K521-W524 PolarHBondContact O-N 3.37Å; L522-W524 PolarHBondContact O-N 2.87Å; W524-S527 WeakPolarHBondContact O-CB 3.12Å; W524-S527 PolarHBondContact O-N 2.99Å; W524-M528 HydrophobicContact CE3-CG 4.4Å; W524-M528 HydrophobicContact CZ3-CG 4.41Å; W524-M528 PolarHBondContact O-N 3.21Å |
| 525 | F | 49.4 | Very low | 49.5 | Very low | 157 Ų | 157 | 118.1 Ų | 118.1 | 69% | 0.689 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.4 | -41.4 | 176.9 | -97.4 | -80.8 | 0 | 0 | 0 | 113 | K521 L522 S527 M528 F529 | K521-F525 PolarHBondContact O-N 3.5Å; L522-F525 PolarHBondContact O-N 3.06Å; F525-S527 VanDerWaalsContact C-N 3.35Å; F525-M528 PolarHBondContact O-N 3.43Å; F525-F529 WeakPolarHBondContact O-CB 3.47Å; F525-F529 PolarHBondContact O-N 3.5Å |
| 526 | L | 56.4 | Low | 51.2 | Low | 87 Ų | 87 | 113.3 Ų | 113.3 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.1 | -40.1 | 174.5 | -91.8 | 77 | 0 | 0 | 0 | 111.7 | L522 F523 F529 F530 | L522-L526 HydrophobicContact CD1-CD1 4.07Å; L522-L526 HydrophobicContact CG-CD1 4.1Å; L522-L526 VanDerWaalsContact O-CD1 3.27Å; L522-L526 WeakPolarHBondContact O-CD1 3.42Å; L522-L526 PolarHBondContact O-N 3.27Å; F523-L526 PolarHBondContact O-N 3.41Å; L526-F529 PolarHBondContact O-N 2.86Å; L526-F530 VanDerWaalsContact O-CD2 3.29Å; L526-F530 WeakPolarHBondContact O-CD2 3.36Å; L526-F530 PolarHBondContact O-N 3.48Å |
| 527 | S | 56.4 | Low | 52.9 | Low | 72 Ų | 72 | 109 Ų | 109 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -58.9 | -50.4 | 176.4 | -171 | 0 | 0 | 0 | 0 | 111.8 | F523 W524 F525 F529 F530 T531 | F523-S527 PolarHBondContact O-N 3.17Å; W524-S527 WeakPolarHBondContact O-CB 3.12Å; W524-S527 PolarHBondContact O-N 2.99Å; F525-S527 VanDerWaalsContact C-N 3.35Å; S527-F529 VanDerWaalsContact C-N 3.33Å; S527-F529 PolarHBondContact O-N 2.98Å; S527-F530 PolarHBondContact O-N 2.63Å; S527-T531 PolarHBondContact O-N 3.2Å; S527-T531 VanDerWaalsContact O-N 3.09Å; S527-T531 PolarHBondContact O-OG1 3.4Å |
| 528 | M | 59.2 | Low | 54.4 | Low | 96 Ų | 96 | 106.7 Ų | 106.7 | 47% | 0.473 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -57.8 | -41.8 | 173.1 | -93.3 | -102.7 | 68.6 | 0 | 0 | 113 | W524 F525 T531 V532 | W524-M528 HydrophobicContact CE3-CG 4.4Å; W524-M528 HydrophobicContact CZ3-CG 4.41Å; W524-M528 PolarHBondContact O-N 3.21Å; F525-M528 PolarHBondContact O-N 3.43Å; M528-T531 PolarHBondContact O-N 3.33Å; M528-T531 PolarHBondContact O-OG1 3.49Å; M528-V532 HydrophobicContact CE-CG2 4.18Å; M528-V532 WeakPolarHBondContact O-CG2 3.45Å; M528-V532 PolarHBondContact O-N 3.2Å; M528-V532 VanDerWaalsContact O-N 3.13Å |
| 529 | F | 65.1 | Low | 55.7 | Low | 133 Ų | 133 | 106.7 Ų | 106.7 | 58% | 0.583 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.3 | -41.8 | -178.8 | -171.7 | -106.2 | 0 | 0 | 0 | 112.1 | F525 L526 S527 L533 | F525-F529 WeakPolarHBondContact O-CB 3.47Å; F525-F529 PolarHBondContact O-N 3.5Å; L526-F529 PolarHBondContact O-N 2.86Å; S527-F529 VanDerWaalsContact C-N 3.33Å; S527-F529 PolarHBondContact O-N 2.98Å; F529-L533 HydrophobicContact CD1-CD1 3.84Å; F529-L533 HydrophobicContact CE1-CD1 3.54Å; F529-L533 HydrophobicContact CE1-CG 4.44Å; F529-L533 HydrophobicContact CZ-CD1 4.13Å; F529-L533 WeakPolarHBondContact O-CG 3.47Å; F529-L533 PolarHBondContact O-N 3.34Å; F529-L533 VanDerWaalsContact O-N 3.1Å |
| 530 | F | 59.7 | Low | 57 | Low | 125 Ų | 125 | 105.5 Ų | 105.5 | 55% | 0.548 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71 | -36.1 | 176.9 | -80.9 | -67.7 | 0 | 0 | 0 | 113.4 | L526 S527 L533 C534 | L526-F530 VanDerWaalsContact O-CD2 3.29Å; L526-F530 WeakPolarHBondContact O-CD2 3.36Å; L526-F530 PolarHBondContact O-N 3.48Å; S527-F530 PolarHBondContact O-N 2.63Å; F530-L533 HydrophobicContact CD1-CD1 4.42Å; F530-L533 PolarHBondContact O-N 2.75Å; F530-C534 PolarHBondContact O-N 2.91Å; F530-C534 PolarHBondContact O-SG 3.26Å; F530-C534 VanDerWaalsContact O-SG 3.38Å |
| 531 | T | 64.5 | Low | 58.1 | Low | 58 Ų | 58 | 106.9 Ų | 106.9 | 36% | 0.356 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 174.9 | 55.2 | 0 | 0 | 0 | 0 | 111.9 | S527 M528 C534 I535 | S527-T531 PolarHBondContact O-N 3.2Å; S527-T531 VanDerWaalsContact O-N 3.09Å; S527-T531 PolarHBondContact O-OG1 3.4Å; M528-T531 PolarHBondContact O-N 3.33Å; M528-T531 PolarHBondContact O-OG1 3.49Å; T531-C534 PolarHBondContact O-N 2.73Å; T531-I535 WeakPolarHBondContact O-CG1 3.47Å; T531-I535 PolarHBondContact O-N 3.13Å |
| 532 | V | 67.5 | Low | 58.7 | Low | 69 Ų | 69 | 103.4 Ų | 103.4 | 42% | 0.418 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 174.7 | 171.5 | 0 | 0 | 0 | 0 | 112 | M528 I535 L536 | M528-V532 HydrophobicContact CE-CG2 4.18Å; M528-V532 WeakPolarHBondContact O-CG2 3.45Å; M528-V532 PolarHBondContact O-N 3.2Å; M528-V532 VanDerWaalsContact O-N 3.13Å; V532-I535 PolarHBondContact O-N 2.76Å; V532-L536 HydrophobicContact CG1-CD1 4.05Å; V532-L536 PolarHBondContact O-N 3.31Å |
| 533 | L | 64.2 | Low | 59.4 | Low | 76 Ų | 76 | 102 Ų | 102 | 40% | 0.398 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 175.1 | -76.7 | 172.1 | 0 | 0 | 0 | 112.9 | F529 F530 L536 S537 | F529-L533 HydrophobicContact CD1-CD1 3.84Å; F529-L533 HydrophobicContact CE1-CD1 3.54Å; F529-L533 HydrophobicContact CE1-CG 4.44Å; F529-L533 HydrophobicContact CZ-CD1 4.13Å; F529-L533 WeakPolarHBondContact O-CG 3.47Å; F529-L533 PolarHBondContact O-N 3.34Å; F529-L533 VanDerWaalsContact O-N 3.1Å; F530-L533 HydrophobicContact CD1-CD1 4.42Å; F530-L533 PolarHBondContact O-N 2.75Å; L533-L536 PolarHBondContact O-N 3.38Å; L533-S537 PolarHBondContact O-N 3.27Å; L533-S537 PolarHBondContact O-OG 2.8Å |
| 534 | C | 61.4 | Low | 59.9 | Low | 66 Ų | 66 | 100.3 Ų | 100.3 | 45% | 0.446 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.6 | -34.7 | 175.5 | -72.2 | 0 | 0 | 0 | 0 | 112.9 | F530 T531 S537 V538 | F530-C534 PolarHBondContact O-N 2.91Å; F530-C534 PolarHBondContact O-SG 3.26Å; F530-C534 VanDerWaalsContact O-SG 3.38Å; T531-C534 PolarHBondContact O-N 2.73Å; C534-S537 PolarHBondContact O-OG 3.02Å; C534-S537 VanDerWaalsContact O-OG 3.09Å; C534-V538 WeakPolarHBondContact O-CG2 3.48Å; C534-V538 PolarHBondContact O-N 3.42Å |
| 535 | I | 67 | Low | 60.1 | Low | 100 Ų | 100 | 94.9 Ų | 94.9 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.4 | -43.2 | 173.8 | -67.8 | 163.7 | 0 | 0 | 0 | 110.2 | T531 V532 S537 V538 F539 | T531-I535 WeakPolarHBondContact O-CG1 3.47Å; T531-I535 PolarHBondContact O-N 3.13Å; V532-I535 PolarHBondContact O-N 2.76Å; I535-S537 PolarHBondContact O-N 3.44Å; I535-V538 PolarHBondContact O-N 3.14Å; I535-F539 WeakPolarHBondContact O-CB 3.3Å; I535-F539 PolarHBondContact O-N 3.23Å |
| 536 | L | 63.1 | Low | 59.7 | Low | 94 Ų | 94 | 95.1 Ų | 95.1 | 49% | 0.492 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 177.7 | -81.8 | 164.7 | 0 | 0 | 0 | 113.1 | V532 L533 F539 V540 | V532-L536 HydrophobicContact CG1-CD1 4.05Å; V532-L536 PolarHBondContact O-N 3.31Å; L533-L536 PolarHBondContact O-N 3.38Å; L536-F539 PolarHBondContact O-N 3.15Å; L536-V540 WeakPolarHBondContact O-CG2 3.31Å; L536-V540 PolarHBondContact O-N 3.46Å |
| 537 | S | 63.1 | Low | 59.2 | Low | 73 Ų | 73 | 96.7 Ų | 96.7 | 51% | 0.51 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 179.6 | 64.2 | 0 | 0 | 0 | 0 | 112.4 | L533 C534 I535 V540 Y541 | L533-S537 PolarHBondContact O-N 3.27Å; L533-S537 PolarHBondContact O-OG 2.8Å; C534-S537 PolarHBondContact O-OG 3.02Å; C534-S537 VanDerWaalsContact O-OG 3.09Å; I535-S537 PolarHBondContact O-N 3.44Å; S537-V540 PolarHBondContact O-N 3.09Å; S537-Y541 WeakPolarHBondContact O-CB 3.32Å; S537-Y541 PolarHBondContact O-N 3.46Å |
| 538 | V | 63.8 | Low | 58.4 | Low | 64 Ų | 64 | 101.9 Ų | 101.9 | 39% | 0.388 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -40 | 172.8 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | C534 I535 Y541 F542 | C534-V538 WeakPolarHBondContact O-CG2 3.48Å; C534-V538 PolarHBondContact O-N 3.42Å; I535-V538 PolarHBondContact O-N 3.14Å; V538-Y541 WeakPolarHBondContact O-CB 3.33Å; V538-Y541 PolarHBondContact O-N 3.49Å; V538-F542 PolarHBondContact O-N 3.41Å |
| 539 | F | 59.4 | Low | 57.4 | Low | 136 Ų | 136 | 101.2 Ų | 101.2 | 60% | 0.596 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.9 | -39 | 178.7 | -157.1 | -102.6 | 0 | 0 | 0 | 112.7 | I535 L536 F542 I543 | I535-F539 WeakPolarHBondContact O-CB 3.3Å; I535-F539 PolarHBondContact O-N 3.23Å; L536-F539 PolarHBondContact O-N 3.15Å; F539-F542 WeakPolarHBondContact O-CB 3.49Å; F539-F542 PolarHBondContact O-N 2.92Å; F539-I543 HydrophobicContact CD1-CD1 3.84Å; F539-I543 HydrophobicContact CE1-CD1 3.7Å; F539-I543 HydrophobicContact CE1-CG1 4.45Å; F539-I543 PolarHBondContact O-N 2.84Å |
| 540 | V | 65.8 | Low | 56 | Low | 84 Ų | 84 | 102.4 Ų | 102.4 | 51% | 0.509 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 173.5 | 169.3 | 0 | 0 | 0 | 0 | 111.6 | L536 S537 F542 I543 N544 | L536-V540 WeakPolarHBondContact O-CG2 3.31Å; L536-V540 PolarHBondContact O-N 3.46Å; S537-V540 PolarHBondContact O-N 3.09Å; V540-F542 VanDerWaalsContact C-N 3.33Å; V540-I543 PolarHBondContact O-N 3.23Å; V540-N544 WeakPolarHBondContact O-CB 3.41Å; V540-N544 PolarHBondContact O-N 3.24Å |
| 541 | Y | 62.9 | Low | 54.9 | Low | 157 Ų | 157 | 102.7 Ų | 102.7 | 62% | 0.616 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61 | -42.2 | 172.2 | -179.1 | -100 | 0 | 0 | 0 | 111.7 | S537 V538 N544 N545 | S537-Y541 WeakPolarHBondContact O-CB 3.32Å; S537-Y541 PolarHBondContact O-N 3.46Å; V538-Y541 WeakPolarHBondContact O-CB 3.33Å; V538-Y541 PolarHBondContact O-N 3.49Å; Y541-N544 PolarHBondContact O-N 3.46Å; Y541-N545 VanDerWaalsContact CE1-ND2 3.33Å; Y541-N545 WeakPolarHBondContact CE1-ND2 3.4Å; Y541-N545 PolarHBondContact O-N 3.23Å; Y541-N545 PolarHBondContact O-ND2 3.39Å |
| 542 | F | 50.6 | Low | 53.4 | Low | 74 Ų | 74 | 107.6 Ų | 107.6 | 33% | 0.325 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.1 | -49.8 | 175.4 | -118.2 | -97.8 | 0 | 0 | 0 | 112.3 | V538 F539 V540 N544 N545 F546 F557 I564 | V538-F542 PolarHBondContact O-N 3.41Å; F539-F542 WeakPolarHBondContact O-CB 3.49Å; F539-F542 PolarHBondContact O-N 2.92Å; V540-F542 VanDerWaalsContact C-N 3.33Å; F542-N544 PolarHBondContact O-N 2.96Å; F542-N545 PolarHBondContact O-N 3.04Å; F542-F546 WeakPolarHBondContact O-CB 3.49Å; F542-F546 PolarHBondContact O-N 3.32Å; F542-F557 AromaticContact CE1-CE2 3.7Å; F542-F557 HydrophobicContact CE1-CE2 3.7Å; F542-F557 AromaticContact CE1-CZ 3.78Å; F542-F557 HydrophobicContact CE1-CZ 3.78Å; F542-F557 HydrophobicContact CZ-CE2 4.26Å; F542-F557 HydrophobicContact CZ-CZ 4.3Å; F542-I564 HydrophobicContact CE2-CD1 4.32Å |
| 543 | I | 58.6 | Low | 52 | Low | 89 Ų | 89 | 109.9 Ų | 109.9 | 46% | 0.456 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.4 | -43.9 | 179.4 | -71.2 | 175.2 | 0 | 0 | 0 | 111.5 | F539 V540 N545 F546 V547 | F539-I543 HydrophobicContact CD1-CD1 3.84Å; F539-I543 HydrophobicContact CE1-CD1 3.7Å; F539-I543 HydrophobicContact CE1-CG1 4.45Å; F539-I543 PolarHBondContact O-N 2.84Å; V540-I543 PolarHBondContact O-N 3.23Å; I543-N545 VanDerWaalsContact C-N 3.27Å; I543-N545 PolarHBondContact O-N 2.84Å; I543-F546 PolarHBondContact O-N 3.02Å; I543-V547 HydrophobicContact CG2-CG2 4.39Å; I543-V547 WeakPolarHBondContact O-CG2 3.36Å; I543-V547 PolarHBondContact O-N 2.89Å; I543-V547 VanDerWaalsContact O-N 3.11Å |
| 544 | N | 53.4 | Low | 50.8 | Low | 106 Ų | 106 | 111.6 Ų | 111.6 | 57% | 0.567 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.9 | -30.8 | -180 | -91.7 | -24.3 | 0 | 0 | 0 | 113.6 | V540 Y541 F542 | V540-N544 WeakPolarHBondContact O-CB 3.41Å; V540-N544 PolarHBondContact O-N 3.24Å; Y541-N544 PolarHBondContact O-N 3.46Å; F542-N544 PolarHBondContact O-N 2.96Å |
| 545 | N | 49.6 | Very low | 49.6 | Very low | 76 Ų | 76 | 115.7 Ų | 115.7 | 41% | 0.406 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -85.1 | -38.2 | 176 | -73.5 | -33.5 | 0 | 0 | 0 | 112.5 | Y541 F542 I543 V547 K548 | Y541-N545 VanDerWaalsContact CE1-ND2 3.33Å; Y541-N545 WeakPolarHBondContact CE1-ND2 3.4Å; Y541-N545 PolarHBondContact O-N 3.23Å; Y541-N545 PolarHBondContact O-ND2 3.39Å; F542-N545 PolarHBondContact O-N 3.04Å; I543-N545 VanDerWaalsContact C-N 3.27Å; I543-N545 PolarHBondContact O-N 2.84Å; N545-V547 VanDerWaalsContact C-N 3.27Å; N545-V547 PolarHBondContact O-N 3.37Å; N545-K548 PolarHBondContact O-N 3.1Å |
| 546 | F | 42.2 | Very low | 48.3 | Very low | 162 Ų | 162 | 115.4 Ų | 115.4 | 71% | 0.711 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.7 | -31.8 | 178.7 | -158 | -92.7 | 0 | 0 | 0 | 112.6 | F542 I543 K548 | F542-F546 WeakPolarHBondContact O-CB 3.49Å; F542-F546 PolarHBondContact O-N 3.32Å; I543-F546 PolarHBondContact O-N 3.02Å; F546-K548 PolarHBondContact O-N 2.92Å |
| 547 | V | 46.5 | Very low | 47.2 | Very low | 120 Ų | 120 | 116.2 Ų | 116.2 | 73% | 0.727 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -10.4 | 176 | 173.2 | 0 | 0 | 0 | 0 | 113.1 | I543 N545 | I543-V547 HydrophobicContact CG2-CG2 4.39Å; I543-V547 WeakPolarHBondContact O-CG2 3.36Å; I543-V547 PolarHBondContact O-N 2.89Å; I543-V547 VanDerWaalsContact O-N 3.11Å; N545-V547 VanDerWaalsContact C-N 3.27Å; N545-V547 PolarHBondContact O-N 3.37Å |
| 548 | K | 39.5 | Very low | 46.4 | Very low | 182 Ų | 182 | 117.7 Ų | 117.7 | 79% | 0.791 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | -6.3 | -173.7 | -88.1 | -175.6 | 172.5 | -179.2 | 0 | 116.4 | N545 F546 | N545-K548 PolarHBondContact O-N 3.1Å; F546-K548 PolarHBondContact O-N 2.92Å |
| 549 | S | 36.8 | Very low | 45.4 | Very low | 81 Ų | 81 | 115.8 Ų | 115.8 | 57% | 0.566 | 60% | 0.603 | S | S | * | * | trans | -126.5 | 91.3 | -177.2 | -164.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 550 | N | 35.7 | Very low | 44.6 | Very low | 159 Ų | 159 | 113.7 Ų | 113.7 | 85% | 0.85 | 60% | 0.598 | S | S | * | * | trans | -74.9 | 133 | 157.5 | -89.1 | -25.7 | 0 | 0 | 0 | 108.4 | ||||
| 551 | T | 37.4 | Very low | 43.8 | Very low | 130 Ų | 130 | 115.4 Ų | 115.4 | 80% | 0.798 | 60% | 0.598 | S | S | * | * | trans | 68.2 | 100 | -178.1 | 69.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 552 | M | 32.5 | Very low | 42.9 | Very low | 161 Ų | 161 | 111.8 Ų | 111.8 | 79% | 0.793 | 59% | 0.586 | S | S | * | * | trans | -166.7 | 167.7 | 134 | -109.4 | -60.2 | 155.6 | 0 | 0 | 112.2 | ||||
| 553 | N | 37.9 | Very low | 42.8 | Very low | 118 Ų | 118 | 111.1 Ų | 111.1 | 63% | 0.631 | 59% | 0.588 | S | S | * | * | trans | -75.8 | 145.8 | -164.4 | -66.7 | -49.9 | 0 | 0 | 0 | 115.3 | L555 T556 | N553-L555 PolarHBondContact O-N 2.93Å; N553-T556 PolarHBondContact O-OG1 2.86Å | ||
| 554 | C | 39 | Very low | 42.2 | Very low | 111 Ų | 111 | 110.1 Ų | 110.1 | 75% | 0.75 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -5.6 | -176.2 | -56.4 | 0 | 0 | 0 | 0 | 116.7 | ||
| 555 | L | 37.3 | Very low | 41.8 | Very low | 153 Ų | 153 | 108 Ų | 108 | 80% | 0.801 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -26 | -175.1 | -79.7 | 163.4 | 0 | 0 | 0 | 114.1 | N553 | N553-L555 PolarHBondContact O-N 2.93Š|
| 556 | T | 39.1 | Very low | 41.5 | Very low | 94 Ų | 94 | 109.3 Ų | 109.3 | 58% | 0.577 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -34.4 | 176.3 | 49.7 | 0 | 0 | 0 | 0 | 112.4 | N553 I558 S559 D560 | N553-T556 PolarHBondContact O-OG1 2.86Å; T556-I558 PolarHBondContact O-N 2.06Å; T556-I558 VanDerWaalsContact O-N 3.12Å; T556-S559 VanDerWaalsContact O-CB 3.3Å; T556-S559 WeakPolarHBondContact O-CB 3.12Å; T556-S559 PolarHBondContact O-N 3.27Å; T556-D560 PolarHBondContact O-N 3.45Å |
| 557 | F | 40.7 | Very low | 41.6 | Very low | 111 Ų | 111 | 106.1 Ų | 106.1 | 49% | 0.487 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -55.4 | -35 | -176.5 | -164.4 | -92.2 | 0 | 0 | 0 | 113.9 | F542 F561 | F542-F557 AromaticContact CE1-CE2 3.7Å; F542-F557 HydrophobicContact CE1-CE2 3.7Å; F542-F557 AromaticContact CE1-CZ 3.78Å; F542-F557 HydrophobicContact CE1-CZ 3.78Å; F542-F557 HydrophobicContact CZ-CE2 4.26Å; F542-F557 HydrophobicContact CZ-CZ 4.3Å; F557-F561 PolarHBondContact O-N 3.41Å |
| 558 | I | 46.5 | Very low | 41.5 | Very low | 103 Ų | 103 | 105.8 Ų | 105.8 | 53% | 0.528 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -78.2 | -26.4 | -178.1 | -61.5 | 173.2 | 0 | 0 | 0 | 112.1 | T556 | T556-I558 PolarHBondContact O-N 2.06Å; T556-I558 VanDerWaalsContact O-N 3.12Å |
| 559 | S | 42.7 | Very low | 41.8 | Very low | 25 Ų | 25 | 101.6 Ų | 101.6 | 18% | 0.175 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -62.1 | -53.4 | 171.7 | 154.6 | 0 | 0 | 0 | 0 | 110.1 | N408 T556 F561 K562 T563 | N408-S559 PolarHBondContact ND2-OG 2.88Å; T556-S559 VanDerWaalsContact O-CB 3.3Å; T556-S559 WeakPolarHBondContact O-CB 3.12Å; T556-S559 PolarHBondContact O-N 3.27Å; S559-F561 PolarHBondContact O-N 3.33Å; S559-K562 WeakPolarHBondContact O-CB 3.4Å; S559-K562 PolarHBondContact O-N 2.86Å; S559-T563 PolarHBondContact O-N 3.48Å; S559-T563 PolarHBondContact O-OG1 3.37Å |
| 560 | D | 41.3 | Very low | 42.2 | Very low | 91 Ų | 91 | 103 Ų | 103 | 49% | 0.487 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -77.6 | -33.9 | -163.1 | -55.7 | -9.6 | 0 | 0 | 0 | 111.1 | T556 K562 T563 I564 | T556-D560 PolarHBondContact O-N 3.45Å; D560-K562 PolarHBondContact O-N 2.84Å; D560-T563 PolarHBondContact O-N 2.97Å; D560-I564 WeakPolarHBondContact O-CG1 3.43Å; D560-I564 PolarHBondContact O-N 3.2Å |
| 561 | F | 49.6 | Very low | 42.4 | Very low | 120 Ų | 120 | 99.8 Ų | 99.8 | 53% | 0.526 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 171.8 | -165 | -97.2 | 0 | 0 | 0 | 112.4 | F557 S559 T563 I564 C565 | F557-F561 PolarHBondContact O-N 3.41Å; S559-F561 PolarHBondContact O-N 3.33Å; F561-T563 PolarHBondContact O-N 3.14Å; F561-I564 PolarHBondContact O-N 3.48Å; F561-C565 PolarHBondContact O-N 2.82Å; F561-C565 PolarHBondContact O-SG 3.03Å; F561-C565 VanDerWaalsContact O-SG 3.35Å |
| 562 | K | 44.6 | Very low | 42.8 | Very low | 82 Ų | 82 | 101.4 Ų | 101.4 | 36% | 0.357 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 174.6 | -91.8 | 173.7 | 171.7 | 168.7 | 0 | 112.3 | N409 S559 D560 C565 K566 | N409-K562 WeakPolarHBondContact OD1-CD 3.47Å; N409-K562 WeakPolarHBondContact OD1-CE 3.42Å; N409-K562 PolarHBondContact OD1-NZ 2.9Å; S559-K562 WeakPolarHBondContact O-CB 3.4Å; S559-K562 PolarHBondContact O-N 2.86Å; D560-K562 PolarHBondContact O-N 2.84Å; K562-C565 PolarHBondContact O-N 2.85Å; K562-K566 PolarHBondContact O-N 3.49Å |
| 563 | T | 47.6 | Very low | 43.1 | Very low | 60 Ų | 60 | 97.6 Ų | 97.6 | 37% | 0.368 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 177.6 | -58 | 0 | 0 | 0 | 0 | 111.5 | S559 D560 F561 C565 K566 N567 | S559-T563 PolarHBondContact O-N 3.48Å; S559-T563 PolarHBondContact O-OG1 3.37Å; D560-T563 PolarHBondContact O-N 2.97Å; F561-T563 PolarHBondContact O-N 3.14Å; T563-C565 PolarHBondContact O-N 3.44Å; T563-K566 PolarHBondContact O-N 3.4Å; T563-N567 PolarHBondContact O-N 3.49Å; T563-N567 VanDerWaalsContact O-N 3.14Å |
| 564 | I | 46.2 | Very low | 43.3 | Very low | 67 Ų | 67 | 99.1 Ų | 99.1 | 34% | 0.344 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 175.2 | -67.7 | 165.1 | 0 | 0 | 0 | 110.8 | F542 D560 F561 K566 N567 F568 | F542-I564 HydrophobicContact CE2-CD1 4.32Å; D560-I564 WeakPolarHBondContact O-CG1 3.43Å; D560-I564 PolarHBondContact O-N 3.2Å; F561-I564 PolarHBondContact O-N 3.48Å; I564-K566 PolarHBondContact O-N 2.97Å; I564-N567 PolarHBondContact O-N 2.84Å; I564-F568 PolarHBondContact O-N 3.5Å |
| 565 | C | 45 | Very low | 43.3 | Very low | 62 Ų | 62 | 98 Ų | 98 | 42% | 0.419 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65 | -35.2 | 177.8 | -68.9 | 0 | 0 | 0 | 0 | 113.6 | F561 K562 T563 N569 | F561-C565 PolarHBondContact O-N 2.82Å; F561-C565 PolarHBondContact O-SG 3.03Å; F561-C565 VanDerWaalsContact O-SG 3.35Å; K562-C565 PolarHBondContact O-N 2.85Å; T563-C565 PolarHBondContact O-N 3.44Å; C565-N569 PolarHBondContact O-N 3.2Å |
| 566 | K | 43.6 | Very low | 43.4 | Very low | 103 Ų | 103 | 93.6 Ų | 93.6 | 45% | 0.448 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 171.8 | -93 | -155.8 | 167.5 | -159.6 | 0 | 111.3 | D412 K562 T563 I564 F568 N569 I570 | D412-K566 IonicContact OD1-NZ 3.22Å; D412-K566 PolarHBondContact OD1-NZ 3.22Å; D412-K566 VanDerWaalsContact OD2-CE 3.23Å; D412-K566 WeakPolarHBondContact OD2-CE 3.45Å; D412-K566 IonicContact OD2-NZ 2.82Å; D412-K566 PolarHBondContact OD2-NZ 3.23Å; K562-K566 PolarHBondContact O-N 3.49Å; T563-K566 PolarHBondContact O-N 3.4Å; I564-K566 PolarHBondContact O-N 2.97Å; K566-F568 PolarHBondContact O-N 2.92Å; K566-N569 PolarHBondContact O-N 2.79Å; K566-I570 WeakPolarHBondContact O-CG1 3.25Å; K566-I570 PolarHBondContact O-N 2.88Å |
| 567 | N | 43.9 | Very low | 43.2 | Very low | 95 Ų | 95 | 96.5 Ų | 96.5 | 51% | 0.508 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.7 | -39.2 | 179.9 | -69.1 | -12.5 | 0 | 0 | 0 | 112.5 | T563 I564 N569 I570 V571 | T563-N567 PolarHBondContact O-N 3.49Å; T563-N567 VanDerWaalsContact O-N 3.14Å; I564-N567 PolarHBondContact O-N 2.84Å; N567-N569 VanDerWaalsContact C-N 3.33Å; N567-N569 PolarHBondContact O-N 3.22Å; N567-I570 PolarHBondContact O-N 2.89Å; N567-V571 PolarHBondContact O-N 3.34Å; N567-V571 VanDerWaalsContact O-N 3.11Å |
| 568 | F | 45.6 | Very low | 42.9 | Very low | 113 Ų | 113 | 94 Ų | 94 | 50% | 0.496 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 175.7 | -133.8 | -85.2 | 0 | 0 | 0 | 112.2 | I564 K566 V571 Y572 | I564-F568 PolarHBondContact O-N 3.5Å; K566-F568 PolarHBondContact O-N 2.92Å; F568-V571 PolarHBondContact O-N 2.94Å; F568-Y572 PolarHBondContact O-N 2.89Å |
| 569 | N | 44.6 | Very low | 42.3 | Very low | 95 Ų | 95 | 96.1 Ų | 96.1 | 51% | 0.508 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.7 | -31.2 | 178.4 | -157.7 | -3.7 | 0 | 0 | 0 | 112.4 | C565 K566 N567 N573 | C565-N569 PolarHBondContact O-N 3.2Å; K566-N569 PolarHBondContact O-N 2.79Å; N567-N569 VanDerWaalsContact C-N 3.33Å; N567-N569 PolarHBondContact O-N 3.22Å; N569-N573 WeakPolarHBondContact O-CB 2.94Å; N569-N573 PolarHBondContact O-N 3.36Å; N569-N573 PolarHBondContact O-ND2 3.05Å; N569-N573 PolarHBondContact OD1-ND2 3.16Å |
| 570 | I | 44.7 | Very low | 41.8 | Very low | 109 Ų | 109 | 98.1 Ų | 98.1 | 56% | 0.559 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64 | -46.3 | 171.4 | -68.6 | 165.5 | 0 | 0 | 0 | 110.7 | K566 N567 N573 F574 | K566-I570 WeakPolarHBondContact O-CG1 3.25Å; K566-I570 PolarHBondContact O-N 2.88Å; N567-I570 PolarHBondContact O-N 2.89Å; I570-N573 PolarHBondContact O-N 3.17Å; I570-F574 WeakPolarHBondContact O-CB 3.33Å; I570-F574 PolarHBondContact O-N 3.32Å |
| 571 | V | 41.3 | Very low | 41.2 | Very low | 93 Ų | 93 | 98.5 Ų | 98.5 | 56% | 0.564 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.9 | -43.7 | 177.1 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | N567 F568 N573 F574 V575 | N567-V571 PolarHBondContact O-N 3.34Å; N567-V571 VanDerWaalsContact O-N 3.11Å; F568-V571 PolarHBondContact O-N 2.94Å; V571-N573 PolarHBondContact O-N 2.62Å; V571-F574 PolarHBondContact O-N 2.9Å; V571-V575 HydrophobicContact CG1-CG2 4.48Å; V571-V575 WeakPolarHBondContact O-CG2 3.47Å; V571-V575 PolarHBondContact O-N 3.34Å |
| 572 | Y | 44.7 | Very low | 40.3 | Very low | 164 Ų | 164 | 100.4 Ų | 100.4 | 64% | 0.643 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.2 | -46.2 | 175.6 | -178.2 | -104.1 | 0 | 0 | 0 | 112.3 | F568 F574 V575 S576 | F568-Y572 PolarHBondContact O-N 2.89Å; Y572-F574 VanDerWaalsContact C-N 3.34Å; Y572-F574 PolarHBondContact O-N 2.78Å; Y572-V575 PolarHBondContact O-N 2.91Å; Y572-S576 VanDerWaalsContact O-CB 3.24Å; Y572-S576 WeakPolarHBondContact O-CB 3.27Å; Y572-S576 PolarHBondContact O-N 2.68Å |
| 573 | N | 40.1 | Very low | 39.6 | Very low | 80 Ų | 80 | 102.8 Ų | 102.8 | 43% | 0.428 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.4 | -31.8 | 176.5 | -82.4 | -81.6 | 0 | 0 | 0 | 113.3 | N569 I570 V571 K577 | N569-N573 WeakPolarHBondContact O-CB 2.94Å; N569-N573 PolarHBondContact O-N 3.36Å; N569-N573 PolarHBondContact O-ND2 3.05Å; N569-N573 PolarHBondContact OD1-ND2 3.16Å; I570-N573 PolarHBondContact O-N 3.17Å; V571-N573 PolarHBondContact O-N 2.62Å; N573-K577 WeakPolarHBondContact O-CB 3.19Å; N573-K577 WeakPolarHBondContact O-CG 3.38Å; N573-K577 PolarHBondContact O-N 2.84Å |
| 574 | F | 41.4 | Very low | 38.6 | Very low | 151 Ų | 151 | 106.8 Ų | 106.8 | 66% | 0.662 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.9 | -48.7 | 175.8 | -160.7 | -90.6 | 0 | 0 | 0 | 111.1 | I570 V571 Y572 S576 K577 S578 | I570-F574 WeakPolarHBondContact O-CB 3.33Å; I570-F574 PolarHBondContact O-N 3.32Å; V571-F574 PolarHBondContact O-N 2.9Å; Y572-F574 VanDerWaalsContact C-N 3.34Å; Y572-F574 PolarHBondContact O-N 2.78Å; F574-S576 PolarHBondContact O-N 3.22Å; F574-K577 PolarHBondContact O-N 3.37Å; F574-S578 PolarHBondContact O-N 2.76Å; F574-S578 PolarHBondContact O-OG 2.81Å |
| 575 | V | 40 | Very low | 37.6 | Very low | 86 Ų | 86 | 110.5 Ų | 110.5 | 52% | 0.521 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63 | -41.4 | 176 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | V571 Y572 S578 Y579 | V571-V575 HydrophobicContact CG1-CG2 4.48Å; V571-V575 WeakPolarHBondContact O-CG2 3.47Å; V571-V575 PolarHBondContact O-N 3.34Å; Y572-V575 PolarHBondContact O-N 2.91Å; V575-S578 PolarHBondContact O-N 3.16Å; V575-Y579 PolarHBondContact O-N 3.34Å |
| 576 | S | 37.8 | Very low | 36.7 | Very low | 62 Ų | 62 | 116.8 Ų | 116.8 | 43% | 0.434 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.2 | -46.3 | 175.4 | 179.8 | 0 | 0 | 0 | 0 | 112.1 | Y572 F574 S578 Y579 A580 | Y572-S576 VanDerWaalsContact O-CB 3.24Å; Y572-S576 WeakPolarHBondContact O-CB 3.27Å; Y572-S576 PolarHBondContact O-N 2.68Å; F574-S576 PolarHBondContact O-N 3.22Å; S576-S578 PolarHBondContact O-N 2.91Å; S576-Y579 WeakPolarHBondContact O-CB 3.27Å; S576-Y579 PolarHBondContact O-N 3.46Å; S576-Y579 VanDerWaalsContact O-N 3.14Å; S576-A580 PolarHBondContact O-N 3.16Å |
| 577 | K | 34.8 | Very low | 36 | Very low | 155 Ų | 155 | 120.3 Ų | 120.3 | 67% | 0.674 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.4 | -40.1 | 174.6 | -80.3 | -175.2 | 173.7 | -176.5 | 0 | 112.8 | N573 F574 Y579 A580 T581 | N573-K577 WeakPolarHBondContact O-CB 3.19Å; N573-K577 WeakPolarHBondContact O-CG 3.38Å; N573-K577 PolarHBondContact O-N 2.84Å; F574-K577 PolarHBondContact O-N 3.37Å; K577-Y579 PolarHBondContact O-N 2.88Å; K577-A580 PolarHBondContact O-N 3.28Å; K577-T581 PolarHBondContact O-N 3.15Å; K577-T581 VanDerWaalsContact O-N 3.08Å; K577-T581 PolarHBondContact O-OG1 3.16Å; K577-T581 VanDerWaalsContact O-OG1 3.13Å |
| 578 | S | 34.8 | Very low | 35 | Very low | 59 Ų | 59 | 119.6 Ų | 119.6 | 41% | 0.413 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -63.3 | -27.9 | 174.9 | -62.1 | 0 | 0 | 0 | 0 | 113.4 | F574 V575 S576 T581 | F574-S578 PolarHBondContact O-N 2.76Å; F574-S578 PolarHBondContact O-OG 2.81Å; V575-S578 PolarHBondContact O-N 3.16Å; S576-S578 PolarHBondContact O-N 2.91Å; S578-T581 PolarHBondContact O-OG1 2.8Å; S578-T581 VanDerWaalsContact O-OG1 3.13Å |
| 579 | Y | 33.4 | Very low | 34.1 | Very low | 146 Ų | 146 | 122.2 Ų | 122.2 | 57% | 0.573 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -76.2 | -43.5 | 173.2 | -122.2 | -93.8 | 0 | 0 | 0 | 112 | V575 S576 K577 T581 H582 | V575-Y579 PolarHBondContact O-N 3.34Å; S576-Y579 WeakPolarHBondContact O-CB 3.27Å; S576-Y579 PolarHBondContact O-N 3.46Å; S576-Y579 VanDerWaalsContact O-N 3.14Å; K577-Y579 PolarHBondContact O-N 2.88Å; Y579-T581 VanDerWaalsContact C-N 3.32Å; Y579-T581 PolarHBondContact O-N 3.42Å; Y579-H582 PolarHBondContact O-N 3.48Å |
| 580 | A | 32.2 | Very low | 33.2 | Very low | 68 Ų | 68 | 126.5 Ų | 126.5 | 56% | 0.562 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -59.2 | -40.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S576 K577 H582 | S576-A580 PolarHBondContact O-N 3.16Å; K577-A580 PolarHBondContact O-N 3.28Å; A580-H582 PolarHBondContact O-N 2.95Å |
| 581 | T | 30.2 | Very low | 32.3 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 60% | 0.601 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -7.1 | 176.8 | 50.1 | 0 | 0 | 0 | 0 | 114.7 | K577 S578 Y579 | K577-T581 PolarHBondContact O-N 3.15Å; K577-T581 VanDerWaalsContact O-N 3.08Å; K577-T581 PolarHBondContact O-OG1 3.16Å; K577-T581 VanDerWaalsContact O-OG1 3.13Å; S578-T581 PolarHBondContact O-OG1 2.8Å; S578-T581 VanDerWaalsContact O-OG1 3.13Å; Y579-T581 VanDerWaalsContact C-N 3.32Å; Y579-T581 PolarHBondContact O-N 3.42Å |
| 582 | H | 29.8 | Very low | 31.4 | Very low | 161 Ų | 161 | 126.2 Ų | 126.2 | 75% | 0.745 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | -3.9 | -174 | -130.5 | -54.9 | 0 | 0 | 0 | 115 | Y579 A580 | Y579-H582 PolarHBondContact O-N 3.48Å; A580-H582 PolarHBondContact O-N 2.95Å |
| 583 | I | 29.8 | Very low | 30.4 | Very low | 132 Ų | 132 | 123.4 Ų | 123.4 | 68% | 0.677 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -26.2 | 178.7 | -67.7 | 176.6 | 0 | 0 | 0 | 111.7 | M585 | I583-M585 PolarHBondContact O-N 2.8Š|
| 584 | D | 26.2 | Very low | 29.7 | Very low | 144 Ų | 144 | 124 Ų | 124 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -93.1 | 29 | -173.3 | -152.9 | 17 | 0 | 0 | 0 | 114.7 | ||
| 585 | M | 25.5 | Very low | 28.9 | Very low | 145 Ų | 145 | 125 Ų | 125 | 71% | 0.714 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -125 | 37.4 | 178.6 | -66.7 | -159.2 | 83.4 | 0 | 0 | 113.5 | I583 | I583-M585 PolarHBondContact O-N 2.8Š|
| 586 | K | 26.8 | Very low | 28.2 | Very low | 194 Ų | 194 | 130.2 Ų | 130.2 | 84% | 0.843 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -127.4 | 4.8 | 179.1 | -89.3 | -166.6 | 172.8 | -174.1 | 0 | 117.8 | ||
| 587 | N | 27.9 | Very low | 27.7 | Very low | 176 Ų | 176 | 133.6 Ų | 133.6 | 94% | 0.941 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -134.7 | 39 | 176.7 | -89.1 | -27.5 | 0 | 0 | 0 | 113.6 | ||
| 588 | S | 24.2 | Very low | 27.4 | Very low | 81 Ų | 81 | 135.9 Ų | 135.9 | 57% | 0.566 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -145.4 | 12.6 | -174.4 | 53.4 | 0 | 0 | 0 | 0 | 116.9 | ||
| 589 | H | 25.1 | Very low | 26.9 | Very low | 168 Ų | 168 | 138.6 Ų | 138.6 | 78% | 0.778 | 76% | 0.758 | S | S | * | * | trans | -139.5 | 80.2 | 173.6 | -91.2 | -75.4 | 0 | 0 | 0 | 113.6 | ||||
| 590 | L | 25.8 | Very low | 26.5 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 97% | 0.969 | 77% | 0.765 | S | S | * | * | trans | -103.7 | 90.7 | 152.4 | -111.2 | 152.2 | 0 | 0 | 0 | 107.1 | ||||
| 591 | S | 26.7 | Very low | 26.3 | Very low | 84 Ų | 84 | 142.3 Ų | 142.3 | 59% | 0.587 | 78% | 0.777 | S | S | * | * | trans | -78.8 | 126.6 | -169.9 | 48.3 | 0 | 0 | 0 | 0 | 113.1 | S593 | S591-S593 PolarHBondContact O-N 2.81Å; S591-S593 VanDerWaalsContact O-N 3.08Å | ||
| 592 | A | 22.6 | Very low | 26.1 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -79.7 | 81.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 593 | S | 23.7 | Very low | 26 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -159.4 | 33.3 | 177.5 | 51.1 | 0 | 0 | 0 | 0 | 115.9 | S591 | S591-S593 PolarHBondContact O-N 2.81Å; S591-S593 VanDerWaalsContact O-N 3.08Å | ||
| 594 | A | 25.5 | Very low | 25.7 | Very low | 94 Ų | 94 | 143.5 Ų | 143.5 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | trans | -147.3 | 60.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 595 | L | 25 | Very low | 25.7 | Very low | 172 Ų | 172 | 143.6 Ų | 143.6 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | trans | -155.1 | 110.2 | 153.3 | -142.9 | 76.2 | 0 | 0 | 0 | 112.9 | ||||
| 596 | K | 25 | Very low | 25.8 | Very low | 195 Ų | 195 | 142.4 Ų | 142.4 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | trans | -154.9 | 127 | 162.6 | -126 | -178.4 | -175.8 | -179 | 0 | 109 | ||||
| 597 | T | 25.9 | Very low | 25.7 | Very low | 132 Ų | 132 | 138.5 Ų | 138.5 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | 64.2 | 132.7 | -166.8 | 77.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 598 | K | 28.9 | Very low | 25.9 | Very low | 204 Ų | 204 | 138 Ų | 138 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | cis | -118.7 | -174 | 15.7 | -78.5 | 179.3 | 171.4 | 178.3 | 0 | 113.5 | ||||
| 599 | T | 24.3 | Very low | 26.4 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 71% | 0.712 | 80% | 0.801 | S | S | * | * | trans | -99.6 | 169.8 | -171.7 | 50 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 600 | D | 24.5 | Very low | 26.8 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | 92.2 | 131.3 | 150.3 | -54.4 | -49 | 0 | 0 | 0 | 121.5 | ||||
| 601 | L | 28.6 | Very low | 28.6 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | 70.9 | 118.5 | 165.4 | -89.1 | 71.9 | 0 | 0 | 0 | 121 | ||||
| 602 | S | 27.4 | Very low | 31 | Very low | 102 Ų | 102 | 132 Ų | 132 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | 51 | 144.8 | 139.5 | 59.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 603 | Q | 25.7 | Very low | 33.8 | Very low | 157 Ų | 157 | 127.5 Ų | 127.5 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | cis | -171.5 | 163.5 | -24.1 | -144.9 | 168.1 | -65.1 | 0 | 0 | 105.5 | ||||
| 604 | E | 24.5 | Very low | 36.5 | Very low | 157 Ų | 157 | 124.6 Ų | 124.6 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | trans | 50.3 | 87.3 | 158.5 | -71 | 162.9 | -145.7 | 0 | 0 | 119.7 | ||||
| 605 | T | 26.7 | Very low | 38.8 | Very low | 146 Ų | 146 | 124.9 Ų | 124.9 | 90% | 0.896 | 72% | 0.722 | S | S | * | * | -176.2 | 74.5 | 127.5 | 48.9 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 606 | S | 26.4 | Very low | 41.6 | Very low | 120 Ų | 120 | 120.5 Ų | 120.5 | 84% | 0.839 | 70% | 0.696 | S | S | * | * | trans | -158.6 | 36 | 175.2 | 65.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 607 | S | 25.4 | Very low | 44.6 | Very low | 112 Ų | 112 | 111.2 Ų | 111.2 | 78% | 0.783 | 66% | 0.656 | S | S | * | * | trans | -112.7 | 60.9 | -167.7 | 58.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 608 | I | 32 | Very low | 47.5 | Very low | 166 Ų | 166 | 106 Ų | 106 | 85% | 0.851 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -121.8 | -11.1 | 172.3 | -63.1 | -178 | 0 | 0 | 0 | 112.7 | ||
| 609 | V | 34.5 | Very low | 50.2 | Low | 132 Ų | 132 | 100.2 Ų | 100.2 | 80% | 0.8 | 61% | 0.605 | S | S | * | * | trans | -107 | 56.7 | 177 | -163.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 610 | A | 34.3 | Very low | 53.2 | Low | 98 Ų | 98 | 98 Ų | 98 | 81% | 0.81 | 59% | 0.593 | S | S | * | * | trans | -109 | 118.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 611 | G | 62.5 | Low | 56.2 | Low | 75 Ų | 75 | 94.1 Ų | 94.1 | 77% | 0.773 | 57% | 0.572 | S | S | * | * | S | Bend | trans | 119.7 | -0.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 612 | L | 76.8 | Confident | 58.8 | Low | 87 Ų | 87 | 93.4 Ų | 93.4 | 46% | 0.455 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -90.4 | 141.5 | 169.8 | -65.3 | -178.2 | 0 | 0 | 0 | 111.6 | S704 | L612-S704 WeakPolarHBondContact CA-O 3.22Š|
| 613 | L | 82.6 | Confident | 61.5 | Low | 15 Ų | 15 | 91.7 Ų | 91.7 | 8% | 0.079 | 57% | 0.568 | C | S | . | * | P | Polyproline II helix | trans | -66.4 | 148 | 171.4 | -64.5 | 169.5 | 0 | 0 | 0 | 110.8 | F617 V633 W701 S704 T705 Y710 | L613-F617 HydrophobicContact CB-CB 4.34Å; L613-F617 HydrophobicContact CB-CG 4.4Å; L613-F617 HydrophobicContact CD1-CD1 3.9Å; L613-F617 HydrophobicContact CD1-CD2 4.08Å; L613-F617 HydrophobicContact CD1-CE1 3.91Å; L613-F617 HydrophobicContact CD1-CE2 4.09Å; L613-F617 HydrophobicContact CD1-CG 4Å; L613-F617 HydrophobicContact CD1-CZ 4.02Å; L613-F617 HydrophobicContact CD2-CD2 4.44Å; L613-V633 HydrophobicContact CD2-CG1 3.72Å; L613-V633 HydrophobicContact CD2-CG2 4.39Å; L613-W701 HydrophobicContact CD1-CH2 3.76Å; L613-W701 HydrophobicContact CD1-CZ3 4.47Å; L613-W701 HydrophobicContact CD2-CH2 3.76Å; L613-W701 HydrophobicContact CD2-CZ2 3.97Å; L613-W701 HydrophobicContact CG-CH2 4.33Å; L613-S704 WeakPolarHBondContact CB-O 3.4Å; L613-S704 WeakPolarHBondContact CG-O 3.27Å; L613-S704 PolarHBondContact N-O 3.28Å; L613-T705 HydrophobicContact CB-CG2 3.66Å; L613-T705 HydrophobicContact CD1-CG2 4.14Å; L613-Y710 HydrophobicContact CD1-CD2 4.46Å |
| 614 | P | 80.3 | Confident | 64.3 | Low | 44 Ų | 44 | 84.5 Ų | 84.5 | 29% | 0.286 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 150.5 | 177.5 | 30 | -36.6 | 0 | 0 | 0 | 111.4 | H616 F617 | P614-H616 WeakPolarHBondContact CG-CE1 3.23Å; P614-H616 PolarHBondContact O-N 2.95Å; P614-H616 VanDerWaalsContact O-N 3.14Å; P614-F617 VanDerWaalsContact O-CB 3.23Å; P614-F617 WeakPolarHBondContact O-CB 3.46Å; P614-F617 PolarHBondContact O-N 3.04Å |
| 615 | S | 74 | Confident | 67.5 | Low | 101 Ų | 101 | 80.9 Ų | 80.9 | 71% | 0.706 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -62.9 | -23 | -171.6 | 50.4 | 0 | 0 | 0 | 0 | 114.6 | F617 D618 | S615-F617 PolarHBondContact O-N 2.78Å; S615-D618 PolarHBondContact O-N 3.29Å |
| 616 | H | 83.2 | Confident | 70.6 | Confident | 79 Ų | 79 | 74 Ų | 74 | 37% | 0.366 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -71.4 | -13.5 | 175.2 | 71.3 | -90.4 | 0 | 0 | 0 | 113.8 | P614 D618 T619 E632 | P614-H616 WeakPolarHBondContact CG-CE1 3.23Å; P614-H616 PolarHBondContact O-N 2.95Å; P614-H616 VanDerWaalsContact O-N 3.14Å; H616-D618 PolarHBondContact O-N 3.14Å; H616-T619 VanDerWaalsContact CA-OG1 3.31Å; H616-T619 WeakPolarHBondContact CA-OG1 3.33Å; H616-T619 PolarHBondContact O-N 3.42Å; H616-T619 PolarHBondContact O-OG1 3.17Å; H616-E632 IonicContact CD2-OE2 2.61Å; H616-E632 IonicContact CE1-OE2 2.66Å; H616-E632 IonicContact NE2-OE2 2.64Å; H616-E632 PolarHBondContact NE2-OE2 3.02Å |
| 617 | F | 88.4 | Confident | 73.6 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -60.8 | -31 | 173.2 | -170.9 | -82.5 | 0 | 0 | 0 | 112 | L613 P614 S615 G627 C628 I639 F641 W701 T705 Y710 | L613-F617 HydrophobicContact CB-CB 4.34Å; L613-F617 HydrophobicContact CB-CG 4.4Å; L613-F617 HydrophobicContact CD1-CD1 3.9Å; L613-F617 HydrophobicContact CD1-CD2 4.08Å; L613-F617 HydrophobicContact CD1-CE1 3.91Å; L613-F617 HydrophobicContact CD1-CE2 4.09Å; L613-F617 HydrophobicContact CD1-CG 4Å; L613-F617 HydrophobicContact CD1-CZ 4.02Å; L613-F617 HydrophobicContact CD2-CD2 4.44Å; P614-F617 VanDerWaalsContact O-CB 3.23Å; P614-F617 WeakPolarHBondContact O-CB 3.46Å; P614-F617 PolarHBondContact O-N 3.04Å; S615-F617 PolarHBondContact O-N 2.78Å; F617-G627 PolarHBondContact O-N 3.45Å; F617-G627 VanDerWaalsContact O-N 3.13Å; F617-C628 HydrophobicContact CD2-CB 3.84Å; F617-C628 HydrophobicContact CE2-CB 4.36Å; F617-I639 HydrophobicContact CE2-CB 4.43Å; F617-I639 HydrophobicContact CZ-CG2 4.37Å; F617-F641 HydrophobicContact CD1-CE1 4.05Å; F617-F641 HydrophobicContact CD1-CZ 4.37Å; F617-F641 HydrophobicContact CE1-CD1 4.49Å; F617-F641 AromaticContact CE1-CE1 3.52Å; F617-F641 HydrophobicContact CE1-CE1 3.52Å; F617-F641 HydrophobicContact CE1-CZ 4.12Å; F617-F641 AromaticContact CZ-CE1 3.92Å; F617-F641 HydrophobicContact CZ-CE1 3.92Å; F617-W701 HydrophobicContact CE2-CH2 4.26Å; F617-W701 HydrophobicContact CZ-CH2 4.21Å; F617-W701 HydrophobicContact CZ-CZ3 4.19Å; F617-T705 HydrophobicContact CB-CG2 3.89Å; F617-T705 HydrophobicContact CD1-CG2 3.96Å; F617-T705 HydrophobicContact CG-CG2 4.25Å; F617-Y710 HydrophobicContact CD1-CD2 4.14Å; F617-Y710 HydrophobicContact CD1-CE1 4.49Å; F617-Y710 AromaticContact CD1-CE2 3.74Å; F617-Y710 HydrophobicContact CD1-CE2 3.74Å; F617-Y710 AromaticContact CD1-CZ 3.94Å; F617-Y710 AromaticContact CE1-CD1 3.89Å; F617-Y710 HydrophobicContact CE1-CD1 3.89Å; F617-Y710 AromaticContact CE1-CD2 3.63Å; F617-Y710 HydrophobicContact CE1-CD2 3.63Å; F617-Y710 AromaticContact CE1-CE1 3.85Å; F617-Y710 HydrophobicContact CE1-CE1 3.85Å; F617-Y710 AromaticContact CE1-CE2 3.61Å; F617-Y710 HydrophobicContact CE1-CE2 3.61Å; F617-Y710 AromaticContact CE1-CG 3.77Å; F617-Y710 HydrophobicContact CE1-CG 3.77Å; F617-Y710 AromaticContact CE1-CZ 3.72Å; F617-Y710 HydrophobicContact CZ-CG 4.5Å |
| 618 | D | 86.7 | Confident | 76.3 | Confident | 22 Ų | 22 | 63.6 Ų | 63.6 | 12% | 0.118 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -78 | -19.7 | 176.3 | -69.9 | -18.8 | 0 | 0 | 0 | 112.8 | S615 H616 T705 N707 Y710 | S615-D618 PolarHBondContact O-N 3.29Å; H616-D618 PolarHBondContact O-N 3.14Å; D618-T705 WeakPolarHBondContact OD1-CB 3.49Å; D618-T705 WeakPolarHBondContact OD1-CG2 3.19Å; D618-T705 PolarHBondContact OD1-OG1 3.14Å; D618-T705 PolarHBondContact OD2-OG1 3.07Å; D618-T705 VanDerWaalsContact OD2-OG1 3.11Å; D618-N707 PolarHBondContact OD2-ND2 2.9Å; D618-Y710 PolarHBondContact OD1-OH 3.5Å; D618-Y710 VanDerWaalsContact OD1-OH 3.07Å |
| 619 | T | 85 | Confident | 78.3 | Confident | 83 Ų | 83 | 57.8 Ų | 57.8 | 51% | 0.509 | 38% | 0.376 | S | S | . | . | trans | -93.8 | 125.5 | -170.3 | 57.6 | 0 | 0 | 0 | 0 | 112.6 | H616 | H616-T619 VanDerWaalsContact CA-OG1 3.31Å; H616-T619 WeakPolarHBondContact CA-OG1 3.33Å; H616-T619 PolarHBondContact O-N 3.42Å; H616-T619 PolarHBondContact O-OG1 3.17Å | ||
| 620 | P | 87.1 | Confident | 79.9 | Confident | 69 Ų | 69 | 52.6 Ų | 52.6 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | trans | -78.8 | 148.1 | 176 | 32.5 | -35.6 | 0 | 0 | 0 | 112.8 | W625 A626 L643 | P620-W625 WeakPolarHBondContact CA-O 3.48Å; P620-A626 HydrophobicContact CB-CB 4.4Å; P620-L643 HydrophobicContact CB-CD1 4.01Å; P620-L643 HydrophobicContact CG-CD1 3.89Å | ||
| 621 | D | 88.2 | Confident | 81.1 | Confident | 57 Ų | 57 | 56.8 Ų | 56.8 | 31% | 0.305 | 35% | 0.35 | S | S | . | . | trans | -70.4 | 175.4 | 160.8 | 66 | 39 | 0 | 0 | 0 | 112.2 | S623 G624 W625 R640 | D621-S623 PolarHBondContact O-N 2.85Å; D621-S623 WeakPolarHBondContact OD1-CA 3.22Å; D621-S623 WeakPolarHBondContact OD1-CB 3.44Å; D621-S623 PolarHBondContact OD1-N 3.03Å; D621-S623 PolarHBondContact OD1-OG 3.32Å; D621-G624 PolarHBondContact O-N 3.26Å; D621-G624 PolarHBondContact OD1-N 3.31Å; D621-W625 VanDerWaalsContact CG-O 3.28Å; D621-W625 PolarHBondContact N-O 2.93Å; D621-W625 PolarHBondContact OD1-N 2.84Å; D621-W625 VanDerWaalsContact OD1-N 3.17Å; D621-W625 WeakPolarHBondContact OD2-CB 3.41Å; D621-R640 IonicContact OD2-CZ 2.66Å; D621-R640 IonicContact OD2-NH1 2.67Å; D621-R640 PolarHBondContact OD2-NH1 3.01Å; D621-R640 IonicContact OD2-NH2 2.85Å; D621-R640 PolarHBondContact OD2-NH2 3.36Å | ||
| 622 | S | 83.5 | Confident | 81 | Confident | 139 Ų | 139 | 57.8 Ų | 57.8 | 97% | 0.972 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -12.1 | -178.4 | 53.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 623 | S | 84 | Confident | 80.1 | Confident | 67 Ų | 67 | 55.5 Ų | 55.5 | 47% | 0.469 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 5.2 | 173.4 | 65.1 | 0 | 0 | 0 | 0 | 113.5 | D621 N642 | D621-S623 PolarHBondContact O-N 2.85Å; D621-S623 WeakPolarHBondContact OD1-CA 3.22Å; D621-S623 WeakPolarHBondContact OD1-CB 3.44Å; D621-S623 PolarHBondContact OD1-N 3.03Å; D621-S623 PolarHBondContact OD1-OG 3.32Å; S623-N642 PolarHBondContact O-ND2 2.79Å |
| 624 | G | 84.8 | Confident | 79 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 6% | 0.062 | 36% | 0.355 | C | S | . | . | S | Bend | trans | 87.8 | 4.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | D621 N642 L643 | D621-G624 PolarHBondContact O-N 3.26Å; D621-G624 PolarHBondContact OD1-N 3.31Å; G624-N642 CarbonylContact O-C 3.54Å; G624-N642 WeakPolarHBondContact O-CA 3.4Å; G624-L643 PolarHBondContact O-N 2.89Å |
| 625 | W | 91.3 | Very high | 78.1 | Confident | 80 Ų | 80 | 58.8 Ų | 58.8 | 30% | 0.303 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 119.5 | -178.9 | -72 | 95.7 | 0 | 0 | 0 | 111.6 | P620 D621 R640 F641 N642 T660 | P620-W625 WeakPolarHBondContact CA-O 3.48Å; D621-W625 VanDerWaalsContact CG-O 3.28Å; D621-W625 PolarHBondContact N-O 2.93Å; D621-W625 PolarHBondContact OD1-N 2.84Å; D621-W625 VanDerWaalsContact OD1-N 3.17Å; D621-W625 WeakPolarHBondContact OD2-CB 3.41Å; W625-R640 HydrophobicContact CE3-CB 3.8Å; W625-R640 HydrophobicContact CZ3-CB 4.08Å; W625-R640 PolarHBondContact O-NH1 3.14Å; W625-F641 CarbonylContact C-O 3.56Å; W625-F641 WeakPolarHBondContact CA-O 3.43Å; W625-N642 HydrophobicContact CD2-CB 3.77Å; W625-N642 HydrophobicContact CE3-CB 3.97Å; W625-N642 HydrophobicContact CG-CB 4.25Å; W625-N642 HydrophobicContact CH2-CB 4.43Å; W625-N642 HydrophobicContact CZ2-CB 4.22Å; W625-N642 HydrophobicContact CZ3-CB 4.31Å; W625-N642 PolarHBondContact NE1-ND2 3.11Å; W625-N642 VanDerWaalsContact NE1-ND2 3.16Å; W625-T660 HydrophobicContact CH2-CG2 4.43Å |
| 626 | A | 91.7 | Very high | 77.7 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.008 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 179.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | P620 R640 F641 | P620-A626 HydrophobicContact CB-CB 4.4Å; A626-R640 CarbonylContact O-C 3.58Å; A626-R640 VanDerWaalsContact O-CA 3.29Å; A626-R640 WeakPolarHBondContact O-CA 3.41Å; A626-F641 HydrophobicContact CB-CD2 4.39Å; A626-F641 HydrophobicContact CB-CE1 4.02Å; A626-F641 HydrophobicContact CB-CE2 3.78Å; A626-F641 HydrophobicContact CB-CZ 3.55Å; A626-F641 PolarHBondContact N-O 3.28Å; A626-F641 PolarHBondContact O-N 2.88Å |
| 627 | G | 88.9 | Confident | 77.6 | Confident | 9 Ų | 9 | 58.4 Ų | 58.4 | 9% | 0.093 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 110.9 | -161.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | F617 I639 | F617-G627 PolarHBondContact O-N 3.45Å; F617-G627 VanDerWaalsContact O-N 3.13Å; G627-I639 CarbonylContact C-O 3.56Å; G627-I639 VanDerWaalsContact CA-O 3.29Å; G627-I639 WeakPolarHBondContact CA-O 3.33Å |
| 628 | C | 83.4 | Confident | 77.5 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.034 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 159.7 | -173.4 | 64.5 | 0 | 0 | 0 | 0 | 113.7 | F617 E632 V633 I639 | F617-C628 HydrophobicContact CD2-CB 3.84Å; F617-C628 HydrophobicContact CE2-CB 4.36Å; C628-E632 WeakPolarHBondContact CA-OE2 3.33Å; C628-E632 HydrophobicContact CB-CB 4.44Å; C628-E632 VanDerWaalsContact CB-OE2 3.3Å; C628-E632 WeakPolarHBondContact CB-OE2 3.34Å; C628-V633 HydrophobicContact CB-CG2 3.98Å; C628-V633 VanDerWaalsContact SG-CG2 3.57Å; C628-I639 PolarHBondContact N-O 2.89Å; C628-I639 PolarHBondContact O-N 3.06Å; C628-I639 VanDerWaalsContact O-N 3.11Å |
| 629 | S | 73.4 | Confident | 77.7 | Confident | 44 Ų | 44 | 59.8 Ų | 59.8 | 31% | 0.308 | 36% | 0.36 | S | S | . | . | trans | -78.2 | 159.5 | 167.4 | 76.5 | 0 | 0 | 0 | 0 | 111.8 | H631 E632 | S629-H631 VanDerWaalsContact C-N 3.28Å; S629-H631 PolarHBondContact O-N 2.8Å; S629-E632 VanDerWaalsContact CB-OE1 3.26Å; S629-E632 WeakPolarHBondContact CB-OE1 3.43Å; S629-E632 PolarHBondContact N-OE1 2.8Å; S629-E632 PolarHBondContact N-OE2 2.87Å; S629-E632 PolarHBondContact O-N 3.32Å; S629-E632 WeakPolarHBondContact OG-CG 3.45Å; S629-E632 PolarHBondContact OG-OE1 3.34Å | ||
| 630 | A | 67.5 | Low | 78.1 | Confident | 23 Ų | 23 | 60.4 Ų | 60.4 | 19% | 0.19 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -57.3 | -40.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E632 G634 Q635 | A630-E632 PolarHBondContact O-N 3.38Å; A630-G634 PolarHBondContact O-N 2.67Å; A630-Q635 PolarHBondContact O-N 3.2Å |
| 631 | H | 60.9 | Low | 78.5 | Confident | 186 Ų | 186 | 57.1 Ų | 57.1 | 86% | 0.861 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -68.7 | -26.5 | -177.9 | -72.2 | -65.7 | 0 | 0 | 0 | 114.2 | S629 V633 | S629-H631 VanDerWaalsContact C-N 3.28Å; S629-H631 PolarHBondContact O-N 2.8Å; H631-V633 VanDerWaalsContact C-N 3.3Å; H631-V633 PolarHBondContact O-N 2.75Å |
| 632 | E | 60.4 | Low | 78.6 | Confident | 96 Ų | 96 | 55.1 Ų | 55.1 | 45% | 0.449 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -71.1 | -21.9 | -177.5 | -78 | 151.9 | -136.9 | 0 | 0 | 113.9 | H616 C628 S629 A630 | H616-E632 IonicContact CD2-OE2 2.61Å; H616-E632 IonicContact CE1-OE2 2.66Å; H616-E632 IonicContact NE2-OE2 2.64Å; H616-E632 PolarHBondContact NE2-OE2 3.02Å; C628-E632 WeakPolarHBondContact CA-OE2 3.33Å; C628-E632 HydrophobicContact CB-CB 4.44Å; C628-E632 VanDerWaalsContact CB-OE2 3.3Å; C628-E632 WeakPolarHBondContact CB-OE2 3.34Å; S629-E632 VanDerWaalsContact CB-OE1 3.26Å; S629-E632 WeakPolarHBondContact CB-OE1 3.43Å; S629-E632 PolarHBondContact N-OE1 2.8Å; S629-E632 PolarHBondContact N-OE2 2.87Å; S629-E632 PolarHBondContact O-N 3.32Å; S629-E632 WeakPolarHBondContact OG-CG 3.45Å; S629-E632 PolarHBondContact OG-OE1 3.34Å; A630-E632 PolarHBondContact O-N 3.38Å |
| 633 | V | 57.1 | Low | 78.9 | Confident | 39 Ų | 39 | 50.5 Ų | 50.5 | 24% | 0.236 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.2 | 7.5 | -168.7 | -166.1 | 0 | 0 | 0 | 0 | 112 | L613 C628 H631 Q635 | L613-V633 HydrophobicContact CD2-CG1 3.72Å; L613-V633 HydrophobicContact CD2-CG2 4.39Å; C628-V633 HydrophobicContact CB-CG2 3.98Å; C628-V633 VanDerWaalsContact SG-CG2 3.57Å; H631-V633 VanDerWaalsContact C-N 3.3Å; H631-V633 PolarHBondContact O-N 2.75Å; V633-Q635 HydrophobicContact CB-CG 3.87Å; V633-Q635 HydrophobicContact CG1-CG 3.88Å; V633-Q635 PolarHBondContact O-N 3.36Å; V633-Q635 PolarHBondContact O-NE2 3.25Å |
| 634 | G | 59.5 | Low | 79.2 | Confident | 72 Ų | 72 | 53.5 Ų | 53.5 | 74% | 0.742 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 28.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A630 | A630-G634 PolarHBondContact O-N 2.67Š|
| 635 | Q | 60.9 | Low | 79.5 | Confident | 57 Ų | 57 | 58 Ų | 58 | 27% | 0.266 | 32% | 0.315 | S | S | . | . | trans | -94.6 | 152.6 | -177.4 | -63.2 | -56.7 | -53.8 | 0 | 0 | 110.6 | A630 V633 E637 | A630-Q635 PolarHBondContact O-N 3.2Å; V633-Q635 HydrophobicContact CB-CG 3.87Å; V633-Q635 HydrophobicContact CG1-CG 3.88Å; V633-Q635 PolarHBondContact O-N 3.36Å; V633-Q635 PolarHBondContact O-NE2 3.25Å; Q635-E637 VanDerWaalsContact C-N 3.28Å; Q635-E637 PolarHBondContact O-N 3.29Å | ||
| 636 | P | 67 | Low | 79.5 | Confident | 102 Ų | 102 | 57 Ų | 57 | 66% | 0.662 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -69.2 | -25.8 | -179.4 | 28.4 | -35.8 | 0 | 0 | 0 | 113.2 | ||
| 637 | E | 80.6 | Confident | 79.3 | Confident | 70 Ų | 70 | 60.4 Ų | 60.4 | 33% | 0.327 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -137.1 | 145.3 | -173.3 | -69 | -68.7 | -179.4 | 0 | 0 | 110.9 | Q635 Y661 G662 | Q635-E637 VanDerWaalsContact C-N 3.28Å; Q635-E637 PolarHBondContact O-N 3.29Å; E637-Y661 HydrophobicContact CB-CD1 4.12Å; E637-Y661 HydrophobicContact CB-CE1 3.82Å; E637-Y661 HydrophobicContact CB-CE2 4.34Å; E637-Y661 HydrophobicContact CG-CD1 4.31Å; E637-Y661 HydrophobicContact CG-CE1 3.91Å; E637-G662 WeakPolarHBondContact OE2-CA 3.31Å |
| 638 | P | 85.9 | Confident | 79.1 | Confident | 50 Ų | 50 | 61.1 Ų | 61.1 | 33% | 0.325 | 34% | 0.342 | S | S | . | . | trans | -70.4 | 147.4 | 173.4 | 30.5 | -35.7 | 0 | 0 | 0 | 111.3 | G662 | P638-G662 PolarHBondContact O-N 3.25Š| ||
| 639 | I | 91.6 | Very high | 79 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 114.8 | -175.9 | -46.6 | -173.6 | 0 | 0 | 0 | 108.4 | F617 G627 C628 Y661 W701 V712 | F617-I639 HydrophobicContact CE2-CB 4.43Å; F617-I639 HydrophobicContact CZ-CG2 4.37Å; G627-I639 CarbonylContact C-O 3.56Å; G627-I639 VanDerWaalsContact CA-O 3.29Å; G627-I639 WeakPolarHBondContact CA-O 3.33Å; C628-I639 PolarHBondContact N-O 2.89Å; C628-I639 PolarHBondContact O-N 3.06Å; C628-I639 VanDerWaalsContact O-N 3.11Å; I639-Y661 HydrophobicContact CD1-CD2 3.95Å; I639-Y661 HydrophobicContact CD1-CE2 3.75Å; I639-Y661 HydrophobicContact CG1-CD2 3.79Å; I639-Y661 HydrophobicContact CG1-CE2 3.92Å; I639-W701 HydrophobicContact CD1-CB 4.48Å; I639-W701 HydrophobicContact CD1-CD2 3.28Å; I639-W701 VanDerWaalsContact CD1-CE2 3.4Å; I639-W701 HydrophobicContact CD1-CE3 3.45Å; I639-W701 VanDerWaalsContact CD1-CE3 3.45Å; I639-W701 HydrophobicContact CD1-CG 3.79Å; I639-W701 HydrophobicContact CD1-CH2 3.68Å; I639-W701 HydrophobicContact CD1-CZ2 3.61Å; I639-W701 HydrophobicContact CD1-CZ3 3.64Å; I639-V712 HydrophobicContact CG2-CG2 3.8Å |
| 640 | R | 92.5 | Very high | 78.9 | Confident | 97 Ų | 97 | 65.8 Ų | 65.8 | 37% | 0.366 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 141.5 | -178 | -66.2 | -89 | -100 | 151.7 | 2 | 109.6 | D621 W625 A626 G659 T660 | D621-R640 IonicContact OD2-CZ 2.66Å; D621-R640 IonicContact OD2-NH1 2.67Å; D621-R640 PolarHBondContact OD2-NH1 3.01Å; D621-R640 IonicContact OD2-NH2 2.85Å; D621-R640 PolarHBondContact OD2-NH2 3.36Å; W625-R640 HydrophobicContact CE3-CB 3.8Å; W625-R640 HydrophobicContact CZ3-CB 4.08Å; W625-R640 PolarHBondContact O-NH1 3.14Å; A626-R640 CarbonylContact O-C 3.58Å; A626-R640 VanDerWaalsContact O-CA 3.29Å; A626-R640 WeakPolarHBondContact O-CA 3.41Å; R640-G659 CarbonylContact O-C 3.32Å; R640-G659 WeakPolarHBondContact O-CA 3.48Å; R640-T660 PolarHBondContact N-O 2.88Å; R640-T660 PolarHBondContact O-N 3.15Å |
| 641 | F | 94.5 | Very high | 79 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 142.4 | 175.8 | 59 | -80.4 | 0 | 0 | 0 | 111.5 | F617 W625 A626 L643 F657 A658 V668 Y710 | F617-F641 HydrophobicContact CD1-CE1 4.05Å; F617-F641 HydrophobicContact CD1-CZ 4.37Å; F617-F641 HydrophobicContact CE1-CD1 4.49Å; F617-F641 AromaticContact CE1-CE1 3.52Å; F617-F641 HydrophobicContact CE1-CE1 3.52Å; F617-F641 HydrophobicContact CE1-CZ 4.12Å; F617-F641 AromaticContact CZ-CE1 3.92Å; F617-F641 HydrophobicContact CZ-CE1 3.92Å; W625-F641 CarbonylContact C-O 3.56Å; W625-F641 WeakPolarHBondContact CA-O 3.43Å; A626-F641 HydrophobicContact CB-CD2 4.39Å; A626-F641 HydrophobicContact CB-CE1 4.02Å; A626-F641 HydrophobicContact CB-CE2 3.78Å; A626-F641 HydrophobicContact CB-CZ 3.55Å; A626-F641 PolarHBondContact N-O 3.28Å; A626-F641 PolarHBondContact O-N 2.88Å; F641-L643 HydrophobicContact CD2-CD2 4.14Å; F641-L643 HydrophobicContact CE2-CD2 3.82Å; F641-L643 HydrophobicContact CE2-CG 4.3Å; F641-F657 HydrophobicContact CB-CB 4.42Å; F641-F657 HydrophobicContact CD2-CB 4.46Å; F641-F657 HydrophobicContact CD2-CD2 4.36Å; F641-F657 HydrophobicContact CD2-CG 4.45Å; F641-A658 WeakPolarHBondContact CA-O 3.41Å; F641-V668 HydrophobicContact CB-CB 4.02Å; F641-V668 HydrophobicContact CB-CG1 4.27Å; F641-V668 HydrophobicContact CB-CG2 3.93Å; F641-V668 HydrophobicContact CD1-CG1 4.3Å; F641-V668 HydrophobicContact CG-CB 4.45Å; F641-V668 HydrophobicContact CG-CG1 4.17Å; F641-Y710 HydrophobicContact CE1-CD1 4.48Å; F641-Y710 AromaticContact CE1-CE1 3.87Å; F641-Y710 HydrophobicContact CE1-CE1 3.87Å; F641-Y710 AromaticContact CE2-CE1 3.87Å; F641-Y710 HydrophobicContact CE2-CE1 3.87Å; F641-Y710 HydrophobicContact CZ-CD1 4.45Å; F641-Y710 AromaticContact CZ-CE1 3.46Å; F641-Y710 HydrophobicContact CZ-CE1 3.46Å; F641-Y710 VanDerWaalsContact CZ-CE1 3.46Å; F641-Y710 AromaticContact CZ-CZ 3.79Å |
| 642 | N | 91.5 | Very high | 79.5 | Confident | 14 Ų | 14 | 64.5 Ų | 64.5 | 8% | 0.075 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 113.7 | -175.5 | -165.3 | -70.7 | 0 | 0 | 0 | 111.5 | S623 G624 W625 N644 K645 A658 | S623-N642 PolarHBondContact O-ND2 2.79Å; G624-N642 CarbonylContact O-C 3.54Å; G624-N642 WeakPolarHBondContact O-CA 3.4Å; W625-N642 HydrophobicContact CD2-CB 3.77Å; W625-N642 HydrophobicContact CE3-CB 3.97Å; W625-N642 HydrophobicContact CG-CB 4.25Å; W625-N642 HydrophobicContact CH2-CB 4.43Å; W625-N642 HydrophobicContact CZ2-CB 4.22Å; W625-N642 HydrophobicContact CZ3-CB 4.31Å; W625-N642 PolarHBondContact NE1-ND2 3.11Å; W625-N642 VanDerWaalsContact NE1-ND2 3.16Å; N642-N644 PolarHBondContact O-N 2.86Å; N642-N644 WeakPolarHBondContact OD1-CA 3.25Å; N642-N644 VanDerWaalsContact OD1-CB 3.26Å; N642-N644 WeakPolarHBondContact OD1-CB 3.31Å; N642-N644 PolarHBondContact OD1-N 2.71Å; N642-K645 HydrophobicContact CB-CB 4.2Å; N642-K645 PolarHBondContact O-N 3.42Å; N642-K645 PolarHBondContact OD1-N 3.46Å; N642-A658 PolarHBondContact N-O 3.09Å |
| 643 | L | 90.2 | Very high | 79.9 | Confident | 42 Ų | 42 | 62.2 Ų | 62.2 | 22% | 0.22 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | -20.2 | -178.4 | -71.1 | 178.8 | 0 | 0 | 0 | 113.6 | P620 G624 F641 F657 | P620-L643 HydrophobicContact CB-CD1 4.01Å; P620-L643 HydrophobicContact CG-CD1 3.89Å; G624-L643 PolarHBondContact O-N 2.89Å; F641-L643 HydrophobicContact CD2-CD2 4.14Å; F641-L643 HydrophobicContact CE2-CD2 3.82Å; F641-L643 HydrophobicContact CE2-CG 4.3Å; L643-F657 HydrophobicContact CB-CE1 4.39Å; L643-F657 HydrophobicContact CD2-CD1 4.07Å; L643-F657 HydrophobicContact CD2-CD2 4.36Å; L643-F657 HydrophobicContact CD2-CE1 3.58Å; L643-F657 HydrophobicContact CD2-CE2 3.91Å; L643-F657 HydrophobicContact CD2-CG 4.43Å; L643-F657 HydrophobicContact CD2-CZ 3.5Å; L643-F657 VanDerWaalsContact CD2-CZ 3.5Å |
| 644 | N | 90.4 | Very high | 81.2 | Confident | 131 Ų | 131 | 61.1 Ų | 61.1 | 70% | 0.701 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -11.2 | 175.9 | -54.7 | -37.9 | 0 | 0 | 0 | 112.8 | N642 | N642-N644 PolarHBondContact O-N 2.86Å; N642-N644 WeakPolarHBondContact OD1-CA 3.25Å; N642-N644 VanDerWaalsContact OD1-CB 3.26Å; N642-N644 WeakPolarHBondContact OD1-CB 3.31Å; N642-N644 PolarHBondContact OD1-N 2.71Å |
| 645 | K | 90.8 | Very high | 82.6 | Confident | 101 Ų | 101 | 59.9 Ų | 59.9 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 64.2 | -176.2 | -165 | 173.5 | 172.4 | -174 | 0 | 111 | N642 A658 | N642-K645 HydrophobicContact CB-CB 4.2Å; N642-K645 PolarHBondContact O-N 3.42Å; N642-K645 PolarHBondContact OD1-N 3.46Å; K645-A658 HydrophobicContact CB-CB 4.06Å; K645-A658 HydrophobicContact CD-CB 3.61Å; K645-A658 HydrophobicContact CG-CB 3.66Å; K645-A658 PolarHBondContact O-N 3.27Å |
| 646 | V | 90.8 | Very high | 84.1 | Confident | 57 Ų | 57 | 58.5 Ų | 58.5 | 35% | 0.345 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 136.4 | 173.1 | -177.2 | 0 | 0 | 0 | 0 | 110.2 | F657 | V646-F657 HydrophobicContact CG2-CD1 3.94Å; V646-F657 HydrophobicContact CG2-CE1 3.69Å |
| 647 | L | 87.8 | Confident | 85.4 | Confident | 74 Ų | 74 | 53.9 Ų | 53.9 | 39% | 0.387 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | -25.4 | 175.6 | -57.6 | 177.4 | 0 | 0 | 0 | 112.5 | V656 A658 A667 | L647-V656 HydrophobicContact CB-CB 4.46Å; L647-V656 HydrophobicContact CB-CG1 4.27Å; L647-V656 HydrophobicContact CD1-CG1 4.37Å; L647-V656 PolarHBondContact N-O 3.28Å; L647-A658 HydrophobicContact CD1-CB 4.27Å; L647-A658 HydrophobicContact CD2-CB 4.19Å; L647-A658 HydrophobicContact CG-CB 4.28Å; L647-A667 HydrophobicContact CD1-CB 3.94Å |
| 648 | G | 83.8 | Confident | 86.1 | Confident | 24 Ų | 24 | 50.8 Ų | 50.8 | 25% | 0.247 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.9 | 165.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V656 | G648-V656 PolarHBondContact N-O 2.67Å; G648-V656 PolarHBondContact O-N 3.14Å |
| 649 | H | 81.3 | Confident | 86.5 | Confident | 107 Ų | 107 | 48.7 Ų | 48.7 | 50% | 0.495 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139.8 | 179 | -57.3 | 90.8 | 0 | 0 | 0 | 109.3 | P124 | P124-H649 VanDerWaalsContact CD-NE2 3.28Å; P124-H649 WeakPolarHBondContact CD-NE2 3.14Å; P124-H649 WeakPolarHBondContact CG-NE2 3.25Å |
| 650 | G | 72.7 | Confident | 86.6 | Confident | 39 Ų | 39 | 50.6 Ų | 50.6 | 40% | 0.402 | 30% | 0.296 | S | S | . | . | trans | -118.6 | -176.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | T654 | G650-T654 PolarHBondContact N-O 3.46Š| ||
| 651 | A | 69.7 | Low | 86.5 | Confident | 73 Ų | 73 | 47.3 Ų | 47.3 | 60% | 0.603 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -62.5 | 160.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G653 T654 | A651-G653 VanDerWaalsContact C-N 3.32Å; A651-G653 PolarHBondContact O-N 2.69Å; A651-T654 WeakPolarHBondContact O-CB 3.42Å; A651-T654 PolarHBondContact O-N 3.33Å; A651-T654 PolarHBondContact O-OG1 3.24Å |
| 652 | N | 70.3 | Confident | 86.2 | Confident | 110 Ų | 110 | 48.1 Ų | 48.1 | 59% | 0.588 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 39.8 | 168.2 | -53.1 | -13.8 | 0 | 0 | 0 | 114.6 | T654 L677 | N652-T654 VanDerWaalsContact C-N 3.27Å; N652-T654 PolarHBondContact O-N 3.02Å; N652-L677 HydrophobicContact CB-CD1 3.86Å; N652-L677 HydrophobicContact CB-CD2 4.46Å; N652-L677 WeakPolarHBondContact ND2-CD2 3.43Å |
| 653 | G | 70 | Confident | 85.8 | Confident | 48 Ų | 48 | 52.5 Ų | 52.5 | 50% | 0.495 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 8.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | A651 | A651-G653 VanDerWaalsContact C-N 3.32Å; A651-G653 PolarHBondContact O-N 2.69Å |
| 654 | T | 83.2 | Confident | 85.7 | Confident | 15 Ų | 15 | 55.6 Ų | 55.6 | 9% | 0.092 | 34% | 0.335 | C | S | . | . | trans | -65.4 | 132.9 | 176.6 | -57.8 | 0 | 0 | 0 | 0 | 111 | G650 A651 N652 K669 R670 I671 | G650-T654 PolarHBondContact N-O 3.46Å; A651-T654 WeakPolarHBondContact O-CB 3.42Å; A651-T654 PolarHBondContact O-N 3.33Å; A651-T654 PolarHBondContact O-OG1 3.24Å; N652-T654 VanDerWaalsContact C-N 3.27Å; N652-T654 PolarHBondContact O-N 3.02Å; T654-K669 HydrophobicContact CG2-CD 4.38Å; T654-K669 HydrophobicContact CG2-CG 3.79Å; T654-R670 WeakPolarHBondContact CA-O 3.43Å; T654-I671 HydrophobicContact CG2-CG1 3.82Å | ||
| 655 | M | 89.1 | Confident | 85.8 | Confident | 46 Ų | 46 | 55 Ų | 55 | 23% | 0.227 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 143.9 | 174.1 | -74.1 | -171.9 | -76.4 | 0 | 0 | 111 | F657 R670 | M655-F657 HydrophobicContact CB-CD2 4.48Å; M655-F657 HydrophobicContact CB-CE2 3.7Å; M655-F657 HydrophobicContact CB-CZ 3.76Å; M655-F657 HydrophobicContact CE-CZ 3.94Å; M655-F657 HydrophobicContact SD-CZ 4.08Å; M655-R670 VanDerWaalsContact CE-NH2 3.32Å; M655-R670 PolarHBondContact N-O 3.35Å; M655-R670 PolarHBondContact O-N 3.2Å |
| 656 | V | 92.7 | Very high | 85.9 | Confident | 29 Ų | 29 | 50.1 Ų | 50.1 | 18% | 0.176 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 123.6 | 175.2 | -171.3 | 0 | 0 | 0 | 0 | 108.6 | L647 G648 A667 V668 K669 | L647-V656 HydrophobicContact CB-CB 4.46Å; L647-V656 HydrophobicContact CB-CG1 4.27Å; L647-V656 HydrophobicContact CD1-CG1 4.37Å; L647-V656 PolarHBondContact N-O 3.28Å; G648-V656 PolarHBondContact N-O 2.67Å; G648-V656 PolarHBondContact O-N 3.14Å; V656-A667 HydrophobicContact CG1-CB 3.9Å; V656-V668 WeakPolarHBondContact CA-O 3.36Å; V656-K669 HydrophobicContact CG2-CB 4.16Å; V656-K669 HydrophobicContact CG2-CG 4.16Å |
| 657 | F | 94.8 | Very high | 86.2 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 2% | 0.022 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 155.8 | 179.7 | -60.1 | -82.8 | 0 | 0 | 0 | 111.3 | F641 L643 V646 M655 A667 V668 R670 | F641-F657 HydrophobicContact CB-CB 4.42Å; F641-F657 HydrophobicContact CD2-CB 4.46Å; F641-F657 HydrophobicContact CD2-CD2 4.36Å; F641-F657 HydrophobicContact CD2-CG 4.45Å; L643-F657 HydrophobicContact CB-CE1 4.39Å; L643-F657 HydrophobicContact CD2-CD1 4.07Å; L643-F657 HydrophobicContact CD2-CD2 4.36Å; L643-F657 HydrophobicContact CD2-CE1 3.58Å; L643-F657 HydrophobicContact CD2-CE2 3.91Å; L643-F657 HydrophobicContact CD2-CG 4.43Å; L643-F657 HydrophobicContact CD2-CZ 3.5Å; L643-F657 VanDerWaalsContact CD2-CZ 3.5Å; V646-F657 HydrophobicContact CG2-CD1 3.94Å; V646-F657 HydrophobicContact CG2-CE1 3.69Å; M655-F657 HydrophobicContact CB-CD2 4.48Å; M655-F657 HydrophobicContact CB-CE2 3.7Å; M655-F657 HydrophobicContact CB-CZ 3.76Å; M655-F657 HydrophobicContact CE-CZ 3.94Å; M655-F657 HydrophobicContact SD-CZ 4.08Å; F657-A667 CarbonylContact O-C 3.59Å; F657-A667 WeakPolarHBondContact O-CA 3.29Å; F657-V668 PolarHBondContact N-O 2.82Å; F657-V668 PolarHBondContact O-N 3.34Å; F657-R670 HydrophobicContact CD2-CB 4.31Å; F657-R670 HydrophobicContact CE2-CB 3.97Å |
| 658 | A | 94.4 | Very high | 86.5 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 136.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | F641 N642 K645 L647 | F641-A658 WeakPolarHBondContact CA-O 3.41Å; N642-A658 PolarHBondContact N-O 3.09Å; K645-A658 HydrophobicContact CB-CB 4.06Å; K645-A658 HydrophobicContact CD-CB 3.61Å; K645-A658 HydrophobicContact CG-CB 3.66Å; K645-A658 PolarHBondContact O-N 3.27Å; L647-A658 HydrophobicContact CD1-CB 4.27Å; L647-A658 HydrophobicContact CD2-CB 4.19Å; L647-A658 HydrophobicContact CG-CB 4.28Å |
| 659 | G | 94.2 | Very high | 87 | Confident | 5 Ų | 5 | 43.8 Ų | 43.8 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | -171.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R640 T666 | R640-G659 CarbonylContact O-C 3.32Å; R640-G659 WeakPolarHBondContact O-CA 3.48Å; G659-T666 VanDerWaalsContact C-OG1 3.26Å; G659-T666 PolarHBondContact N-O 2.89Å; G659-T666 PolarHBondContact O-N 3.38Å; G659-T666 PolarHBondContact O-OG1 3.27Å |
| 660 | T | 93.2 | Very high | 87.5 | Confident | 41 Ų | 41 | 40.4 Ų | 40.4 | 25% | 0.252 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 149.1 | 170.1 | 60.8 | 0 | 0 | 0 | 0 | 110.7 | W625 R640 H664 T666 | W625-T660 HydrophobicContact CH2-CG2 4.43Å; R640-T660 PolarHBondContact N-O 2.88Å; R640-T660 PolarHBondContact O-N 3.15Å; T660-H664 CarbonylContact C-O 2.97Å; T660-H664 WeakPolarHBondContact CA-O 3.4Å; T660-T666 PolarHBondContact N-OG1 2.78Å |
| 661 | Y | 91.6 | Very high | 88.3 | Confident | 28 Ų | 28 | 39.1 Ų | 39.1 | 11% | 0.11 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 101.4 | 167.9 | -174.4 | -96 | 0 | 0 | 0 | 106.8 | E637 I639 H664 W701 V712 | E637-Y661 HydrophobicContact CB-CD1 4.12Å; E637-Y661 HydrophobicContact CB-CE1 3.82Å; E637-Y661 HydrophobicContact CB-CE2 4.34Å; E637-Y661 HydrophobicContact CG-CD1 4.31Å; E637-Y661 HydrophobicContact CG-CE1 3.91Å; I639-Y661 HydrophobicContact CD1-CD2 3.95Å; I639-Y661 HydrophobicContact CD1-CE2 3.75Å; I639-Y661 HydrophobicContact CG1-CD2 3.79Å; I639-Y661 HydrophobicContact CG1-CE2 3.92Å; Y661-H664 PolarHBondContact N-O 3.14Å; Y661-H664 PolarHBondContact O-N 3.35Å; Y661-H664 VanDerWaalsContact O-N 3.1Å; Y661-W701 HydrophobicContact CD2-CB 4.14Å; Y661-W701 HydrophobicContact CE2-CB 3.5Å; Y661-W701 VanDerWaalsContact CE2-CB 3.5Å; Y661-W701 AromaticContact CE2-CG 3.9Å; Y661-W701 HydrophobicContact CE2-CG 3.9Å; Y661-V712 HydrophobicContact CD2-CG1 4Å; Y661-V712 HydrophobicContact CG-CG1 4.22Å |
| 662 | G | 87.3 | Confident | 89.1 | Confident | 16 Ų | 16 | 38 Ų | 38 | 17% | 0.165 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | -128.7 | -165 | 0 | 0 | 0 | 0 | 0 | 111.3 | E637 P638 H664 | E637-G662 WeakPolarHBondContact OE2-CA 3.31Å; P638-G662 PolarHBondContact O-N 3.25Å; G662-H664 VanDerWaalsContact C-N 3.31Å; G662-H664 PolarHBondContact O-N 2.87Å |
| 663 | P | 84.1 | Confident | 89.8 | Confident | 106 Ų | 106 | 36.3 Ų | 36.3 | 69% | 0.688 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -6.9 | 177.8 | 34.2 | -36.3 | 0 | 0 | 0 | 114.1 | ||
| 664 | H | 88 | Confident | 90.1 | Very high | 108 Ų | 108 | 35.7 Ų | 35.7 | 50% | 0.5 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 132.2 | -173.9 | -59.8 | -55.7 | 0 | 0 | 0 | 111.9 | T660 Y661 G662 | T660-H664 CarbonylContact C-O 2.97Å; T660-H664 WeakPolarHBondContact CA-O 3.4Å; Y661-H664 PolarHBondContact N-O 3.14Å; Y661-H664 PolarHBondContact O-N 3.35Å; Y661-H664 VanDerWaalsContact O-N 3.1Å; G662-H664 VanDerWaalsContact C-N 3.31Å; G662-H664 PolarHBondContact O-N 2.87Å |
| 665 | E | 92 | Very high | 89.7 | Confident | 117 Ų | 117 | 38.2 Ų | 38.2 | 55% | 0.547 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 134.3 | 166.4 | -62.7 | -156.1 | 131.7 | 0 | 0 | 110.7 | R715 | E665-R715 VanDerWaalsContact CB-CD 3.41Å; E665-R715 WeakPolarHBondContact O-CB 3.29Å; E665-R715 WeakPolarHBondContact OE2-CD 3.4Å; E665-R715 IonicContact OE2-CZ 2.72Å; E665-R715 IonicContact OE2-NE 2.7Å; E665-R715 PolarHBondContact OE2-NE 3.25Å |
| 666 | T | 93.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 167.7 | -177 | 58.8 | 0 | 0 | 0 | 0 | 112.5 | G659 T660 Y700 V712 M713 | G659-T666 VanDerWaalsContact C-OG1 3.26Å; G659-T666 PolarHBondContact N-O 2.89Å; G659-T666 PolarHBondContact O-N 3.38Å; G659-T666 PolarHBondContact O-OG1 3.27Å; T660-T666 PolarHBondContact N-OG1 2.78Å; T666-Y700 HydrophobicContact CG2-CD2 3.82Å; T666-Y700 HydrophobicContact CG2-CE2 3.77Å; T666-V712 HydrophobicContact CG2-CG1 3.88Å; T666-M713 WeakPolarHBondContact CA-O 3.28Å; T666-M713 VanDerWaalsContact CB-O 3.29Å; T666-M713 WeakPolarHBondContact CB-O 3.34Å |
| 667 | A | 95.7 | Very high | 87.5 | Confident | 7 Ų | 7 | 38.7 Ų | 38.7 | 6% | 0.058 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 123 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | L647 V656 F657 M713 | L647-A667 HydrophobicContact CD1-CB 3.94Å; V656-A667 HydrophobicContact CG1-CB 3.9Å; F657-A667 CarbonylContact O-C 3.59Å; F657-A667 WeakPolarHBondContact O-CA 3.29Å; A667-M713 PolarHBondContact N-O 2.82Å; A667-M713 WeakPolarHBondContact O-CA 3.19Å; A667-M713 WeakPolarHBondContact O-CB 3.2Å; A667-M713 PolarHBondContact O-N 3.39Å |
| 668 | V | 94.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 101.9 | -175.6 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | F641 V656 F657 R670 Y710 L711 V712 | F641-V668 HydrophobicContact CB-CB 4.02Å; F641-V668 HydrophobicContact CB-CG1 4.27Å; F641-V668 HydrophobicContact CB-CG2 3.93Å; F641-V668 HydrophobicContact CD1-CG1 4.3Å; F641-V668 HydrophobicContact CG-CB 4.45Å; F641-V668 HydrophobicContact CG-CG1 4.17Å; V656-V668 WeakPolarHBondContact CA-O 3.36Å; F657-V668 PolarHBondContact N-O 2.82Å; F657-V668 PolarHBondContact O-N 3.34Å; V668-R670 PolarHBondContact O-N 3.44Å; V668-Y710 HydrophobicContact CG1-CD1 3.76Å; V668-Y710 HydrophobicContact CG1-CE1 4.41Å; V668-L711 CarbonylContact C-O 3.52Å; V668-L711 WeakPolarHBondContact CA-O 3.48Å; V668-V712 HydrophobicContact CG1-CG2 4.5Å; V668-V712 HydrophobicContact CG2-CG1 4.5Å; V668-V712 HydrophobicContact CG2-CG2 4.18Å |
| 669 | K | 93.8 | Very high | 85.9 | Confident | 15 Ų | 15 | 44.7 Ų | 44.7 | 7% | 0.065 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 107.5 | 176.6 | -177.8 | -173.2 | -166 | -170.7 | 0 | 108.5 | T654 V656 I671 E684 L711 M713 D811 | T654-K669 HydrophobicContact CG2-CD 4.38Å; T654-K669 HydrophobicContact CG2-CG 3.79Å; V656-K669 HydrophobicContact CG2-CB 4.16Å; V656-K669 HydrophobicContact CG2-CG 4.16Å; K669-I671 HydrophobicContact CD-CD1 4.19Å; K669-I671 HydrophobicContact CG-CD1 4.34Å; K669-I671 HydrophobicContact CG-CG1 4.23Å; K669-E684 IonicContact NZ-OE1 2.71Å; K669-E684 PolarHBondContact NZ-OE1 3.19Å; K669-E684 IonicContact NZ-OE2 2.67Å; K669-E684 PolarHBondContact NZ-OE2 2.88Å; K669-L711 HydrophobicContact CB-CB 4.1Å; K669-L711 HydrophobicContact CD-CD1 4.17Å; K669-L711 PolarHBondContact N-O 3.11Å; K669-L711 PolarHBondContact O-N 3.24Å; K669-M713 HydrophobicContact CB-CE 3.85Å; K669-M713 HydrophobicContact CB-SD 4.25Å; K669-M713 HydrophobicContact CD-CE 4.42Å; K669-M713 HydrophobicContact CD-SD 4.42Å; K669-D811 IonicContact NZ-OD1 3.34Å; K669-D811 PolarHBondContact NZ-OD1 3.39Å |
| 670 | R | 92.7 | Very high | 85 | Confident | 35 Ų | 35 | 46 Ų | 46 | 13% | 0.132 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 123.5 | 175 | -169.8 | -176.7 | 79.4 | 170.3 | 5.6 | 109.6 | T654 M655 F657 V668 F708 H709 Y710 | T654-R670 WeakPolarHBondContact CA-O 3.43Å; M655-R670 VanDerWaalsContact CE-NH2 3.32Å; M655-R670 PolarHBondContact N-O 3.35Å; M655-R670 PolarHBondContact O-N 3.2Å; F657-R670 HydrophobicContact CD2-CB 4.31Å; F657-R670 HydrophobicContact CE2-CB 3.97Å; V668-R670 PolarHBondContact O-N 3.44Å; R670-F708 HydrophobicContact CG-CB 3.61Å; R670-F708 HydrophobicContact CG-CD1 3.82Å; R670-F708 HydrophobicContact CG-CD2 4.49Å; R670-F708 HydrophobicContact CG-CG 3.71Å; R670-H709 WeakPolarHBondContact CA-O 3.48Å; R670-Y710 HydrophobicContact CB-CD1 4.17Å; R670-Y710 HydrophobicContact CB-CE1 3.91Å; R670-Y710 WeakPolarHBondContact CD-OH 3.45Å; R670-Y710 HydrophobicContact CG-CD1 4.07Å; R670-Y710 HydrophobicContact CG-CE1 3.54Å; R670-Y710 HydrophobicContact CG-CE2 4.41Å |
| 671 | I | 88.4 | Confident | 84.5 | Confident | 13 Ų | 13 | 44.6 Ų | 44.6 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 140.2 | -179.9 | -62.6 | 160.5 | 0 | 0 | 0 | 108.2 | T654 K669 W681 F708 H709 L711 | T654-I671 HydrophobicContact CG2-CG1 3.82Å; K669-I671 HydrophobicContact CD-CD1 4.19Å; K669-I671 HydrophobicContact CG-CD1 4.34Å; K669-I671 HydrophobicContact CG-CG1 4.23Å; I671-W681 HydrophobicContact CD1-CE3 3.92Å; I671-W681 HydrophobicContact CD1-CZ3 4.25Å; I671-F708 CarbonylContact O-C 3.55Å; I671-F708 WeakPolarHBondContact O-CA 3.06Å; I671-H709 HydrophobicContact CB-CB 4.37Å; I671-H709 PolarHBondContact N-O 3.08Å; I671-H709 PolarHBondContact O-N 3.45Å; I671-L711 HydrophobicContact CD1-CD1 4.12Å |
| 672 | V | 86.2 | Confident | 84.2 | Confident | 49 Ų | 49 | 50.3 Ų | 50.3 | 30% | 0.297 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 131.9 | 177.4 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | H674 F708 | V672-H674 PolarHBondContact O-N 3.02Å; V672-F708 HydrophobicContact CG2-CE1 4.33Å |
| 673 | R | 85.5 | Confident | 84 | Confident | 75 Ų | 75 | 52 Ų | 52 | 28% | 0.283 | 25% | 0.249 | S | C | . | . | trans | -74.2 | 120.8 | 170.9 | -65.4 | -162.3 | 68.6 | -154.9 | -6.7 | 109.7 | E678 T705 N707 F708 H709 | R673-E678 IonicContact CZ-OE2 3.95Å; R673-E678 IonicContact NE-OE2 3.61Å; R673-E678 IonicContact NH2-OE2 2.78Å; R673-E678 PolarHBondContact NH2-OE2 2.84Å; R673-T705 WeakPolarHBondContact CD-O 3.37Å; R673-T705 PolarHBondContact NH1-O 2.94Å; R673-T705 VanDerWaalsContact NH1-O 3.12Å; R673-N707 WeakPolarHBondContact CB-O 3.38Å; R673-N707 PolarHBondContact N-O 2.98Å; R673-F708 VanDerWaalsContact CG-C 3.49Å; R673-H709 PolarHBondContact NE-CE1 3.34Å | ||
| 674 | H | 76.9 | Confident | 84.1 | Confident | 35 Ų | 35 | 47.2 Ų | 47.2 | 16% | 0.162 | 22% | 0.218 | C | C | . | . | trans | -153.7 | 136.7 | 178.9 | -166.1 | -90.5 | 0 | 0 | 0 | 108 | Q156 N157 V159 V672 L676 L677 E678 | Q156-H674 PolarHBondContact O-CE1 3.36Å; Q156-H674 PolarHBondContact O-NE2 3.13Å; N157-H674 WeakPolarHBondContact CA-NE2 3.42Å; N157-H674 PolarHBondContact N-NE2 3.34Å; N157-H674 VanDerWaalsContact N-NE2 3.15Å; N157-H674 PolarHBondContact OD1-NE2 3.06Å; V159-H674 WeakPolarHBondContact CG2-CE1 3.39Å; V672-H674 PolarHBondContact O-N 3.02Å; H674-L676 WeakPolarHBondContact CE1-CD1 3.39Å; H674-L676 WeakPolarHBondContact CE1-CG 3.38Å; H674-L676 PolarHBondContact O-N 3.29Å; H674-L676 VanDerWaalsContact O-N 3.16Å; H674-L677 HydrophobicContact CB-CB 4.33Å; H674-L677 HydrophobicContact CB-CD1 4.05Å; H674-L677 HydrophobicContact CB-CG 4.07Å; H674-L677 WeakPolarHBondContact O-CA 3.46Å; H674-L677 PolarHBondContact O-N 3.39Å; H674-E678 PolarHBondContact O-N 2.79Å | ||
| 675 | P | 74.8 | Confident | 84.1 | Confident | 68 Ų | 68 | 44.2 Ų | 44.2 | 44% | 0.442 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -57.7 | -34 | -173 | -23.9 | 31.2 | 0 | 0 | 0 | 113.7 | V159 L677 E678 | V159-P675 HydrophobicContact CB-CB 3.84Å; V159-P675 HydrophobicContact CB-CG 4.06Å; V159-P675 HydrophobicContact CG1-CB 4Å; V159-P675 HydrophobicContact CG2-CB 3.8Å; V159-P675 HydrophobicContact CG2-CG 3.77Å; P675-L677 VanDerWaalsContact C-N 3.25Å; P675-L677 PolarHBondContact O-N 2.82Å; P675-E678 PolarHBondContact O-N 3.07Å |
| 676 | L | 64.9 | Low | 83.9 | Confident | 56 Ų | 56 | 41.1 Ų | 41.1 | 29% | 0.293 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.2 | -29.7 | 173.5 | -64.3 | -179.7 | 0 | 0 | 0 | 113.8 | V159 H674 I834 | V159-L676 HydrophobicContact CB-CG 4.44Å; V159-L676 HydrophobicContact CG1-CD2 3.39Å; V159-L676 HydrophobicContact CG1-CG 3.75Å; V159-L676 HydrophobicContact CG2-CD1 4.42Å; V159-L676 HydrophobicContact CG2-CD2 4.38Å; V159-L676 HydrophobicContact CG2-CG 3.8Å; H674-L676 WeakPolarHBondContact CE1-CD1 3.39Å; H674-L676 WeakPolarHBondContact CE1-CG 3.38Å; H674-L676 PolarHBondContact O-N 3.29Å; H674-L676 VanDerWaalsContact O-N 3.16Å; L676-I834 HydrophobicContact CD1-CG2 4.34Å; L676-I834 HydrophobicContact CD2-CD1 3.38Å; L676-I834 HydrophobicContact CD2-CG1 4.49Å; L676-I834 HydrophobicContact CD2-CG2 4.05Å |
| 677 | L | 71 | Confident | 83.5 | Confident | 29 Ų | 29 | 41.7 Ų | 41.7 | 15% | 0.152 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -97.5 | -20 | -174.6 | -55.4 | -178.3 | 0 | 0 | 0 | 112.5 | N652 H674 P675 K679 H680 W681 | N652-L677 HydrophobicContact CB-CD1 3.86Å; N652-L677 HydrophobicContact CB-CD2 4.46Å; N652-L677 WeakPolarHBondContact ND2-CD2 3.43Å; H674-L677 HydrophobicContact CB-CB 4.33Å; H674-L677 HydrophobicContact CB-CD1 4.05Å; H674-L677 HydrophobicContact CB-CG 4.07Å; H674-L677 WeakPolarHBondContact O-CA 3.46Å; H674-L677 PolarHBondContact O-N 3.39Å; P675-L677 VanDerWaalsContact C-N 3.25Å; P675-L677 PolarHBondContact O-N 2.82Å; L677-K679 PolarHBondContact O-N 2.68Å; L677-H680 WeakPolarHBondContact O-CA 3.26Å; L677-H680 WeakPolarHBondContact O-CB 3.26Å; L677-H680 PolarHBondContact O-N 3.43Å; L677-W681 PolarHBondContact O-N 3.3Å |
| 678 | E | 79.2 | Confident | 83.1 | Confident | 35 Ų | 35 | 41.7 Ų | 41.7 | 16% | 0.164 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56 | -35.8 | 179.6 | -178.7 | 78.6 | -136.9 | 0 | 0 | 111.7 | R673 H674 P675 R682 H709 | R673-E678 IonicContact CZ-OE2 3.95Å; R673-E678 IonicContact NE-OE2 3.61Å; R673-E678 IonicContact NH2-OE2 2.78Å; R673-E678 PolarHBondContact NH2-OE2 2.84Å; H674-E678 PolarHBondContact O-N 2.79Å; P675-E678 PolarHBondContact O-N 3.07Å; E678-R682 WeakPolarHBondContact O-CB 3.45Å; E678-R682 VanDerWaalsContact O-CG 3.25Å; E678-R682 WeakPolarHBondContact O-CG 3.39Å; E678-R682 PolarHBondContact O-N 3.04Å; E678-R682 IonicContact OE1-CZ 3.85Å; E678-R682 VanDerWaalsContact OE1-CZ 3.24Å; E678-R682 IonicContact OE1-NE 3.5Å; E678-R682 PolarHBondContact OE1-NE 3.03Å; E678-R682 IonicContact OE1-NH2 2.76Å; E678-R682 PolarHBondContact OE1-NH2 3.41Å; E678-H709 IonicContact OE1-CE1 3.22Å; E678-H709 IonicContact OE2-CE1 3.95Å; E678-H709 PolarHBondContact OE2-CE1 2.65Å; E678-H709 VanDerWaalsContact OE2-CE1 3.29Å; E678-H709 IonicContact OE2-NE2 3.86Å; E678-H709 PolarHBondContact OE2-NE2 2.97Å |
| 679 | K | 75.5 | Confident | 82.7 | Confident | 101 Ų | 101 | 44.9 Ų | 44.9 | 44% | 0.439 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.3 | -42.4 | 170.8 | -81.1 | -168.2 | 173.7 | -167.7 | 0 | 113.4 | L677 R683 F831 N832 | L677-K679 PolarHBondContact O-N 2.68Å; K679-R683 PolarHBondContact O-N 3.09Å; K679-F831 PolarHBondContact NZ-O 2.87Å; K679-N832 PolarHBondContact NZ-OD1 2.66Å |
| 680 | H | 76.6 | Confident | 82.4 | Confident | 33 Ų | 33 | 52.2 Ų | 52.2 | 15% | 0.153 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.9 | -44 | 179.5 | -71.7 | 100.9 | 0 | 0 | 0 | 111.1 | L677 R683 E684 | L677-H680 WeakPolarHBondContact O-CA 3.26Å; L677-H680 WeakPolarHBondContact O-CB 3.26Å; L677-H680 PolarHBondContact O-N 3.43Å; H680-R683 PolarHBondContact CD2-NH1 3.42Å; H680-R683 VanDerWaalsContact CD2-NH1 3.34Å; H680-R683 PolarHBondContact O-N 2.89Å; H680-E684 PolarHBondContact O-N 2.92Å |
| 681 | W | 82.3 | Confident | 82.1 | Confident | 11 Ų | 11 | 51.9 Ų | 51.9 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -53.6 | -52.8 | 172.2 | 160.2 | -110.8 | 0 | 0 | 0 | 112.7 | I671 L677 R683 E684 H685 T702 H709 Y710 L711 | I671-W681 HydrophobicContact CD1-CE3 3.92Å; I671-W681 HydrophobicContact CD1-CZ3 4.25Å; L677-W681 PolarHBondContact O-N 3.3Å; W681-R683 PolarHBondContact O-N 3.2Å; W681-E684 PolarHBondContact O-N 3.36Å; W681-H685 AromaticContact CD1-ND1 3.9Å; W681-H685 AromaticContact CD2-ND1 3.77Å; W681-H685 AromaticContact CE2-CE1 3.92Å; W681-H685 AromaticContact CE2-ND1 3.21Å; W681-H685 HydrophobicContact CH2-CB 4.19Å; W681-H685 HydrophobicContact CZ2-CB 4.26Å; W681-H685 AromaticContact CZ2-ND1 3.47Å; W681-H685 WeakPolarHBondContact CZ2-ND1 3.17Å; W681-H685 HydrophobicContact CZ3-CB 4.45Å; W681-H685 AromaticContact NE1-CE1 3.59Å; W681-H685 AromaticContact NE1-ND1 3.31Å; W681-H685 PolarHBondContact NE1-ND1 2.97Å; W681-H685 PolarHBondContact O-N 2.87Å; W681-H685 PolarHBondContact O-ND1 3.03Å; W681-T702 HydrophobicContact CH2-CG2 4.12Å; W681-H709 AromaticContact CD1-CD2 3.7Å; W681-H709 AromaticContact CD1-CE1 3.23Å; W681-H709 AromaticContact CD1-CG 3.74Å; W681-H709 AromaticContact CD1-ND1 3.47Å; W681-H709 AromaticContact CD1-NE2 3.42Å; W681-H709 HydrophobicContact CD2-CB 3.48Å; W681-H709 VanDerWaalsContact CD2-CB 3.48Å; W681-H709 AromaticContact CD2-CD2 3.76Å; W681-H709 AromaticContact CD2-CG 3.47Å; W681-H709 VanDerWaalsContact CD2-CG 3.47Å; W681-H709 AromaticContact CD2-ND1 3.84Å; W681-H709 AromaticContact CE2-CG 3.6Å; W681-H709 AromaticContact CE2-ND1 3.52Å; W681-H709 HydrophobicContact CE3-CB 3.46Å; W681-H709 VanDerWaalsContact CE3-CB 3.46Å; W681-H709 AromaticContact CE3-CG 3.98Å; W681-H709 HydrophobicContact CG-CB 4.13Å; W681-H709 AromaticContact CG-CD2 3.42Å; W681-H709 VanDerWaalsContact CG-CD2 3.42Å; W681-H709 AromaticContact CG-CE1 3.78Å; W681-H709 AromaticContact CG-CG 3.61Å; W681-H709 AromaticContact CG-ND1 3.83Å; W681-H709 AromaticContact CG-NE2 3.58Å; W681-H709 HydrophobicContact CH2-CB 3.83Å; W681-H709 HydrophobicContact CZ2-CB 3.86Å; W681-H709 HydrophobicContact CZ3-CB 3.61Å; W681-H709 AromaticContact NE1-CE1 3.45Å; W681-H709 PolarHBondContact NE1-CE1 2.97Å; W681-H709 AromaticContact NE1-CG 3.74Å; W681-H709 AromaticContact NE1-ND1 3.26Å; W681-H709 PolarHBondContact NE1-ND1 3.06Å; W681-Y710 WeakPolarHBondContact CH2-O 3.49Å; W681-L711 HydrophobicContact CE3-CD1 4.22Å; W681-L711 HydrophobicContact CH2-CD1 4.48Å; W681-L711 HydrophobicContact CH2-CG 4.02Å; W681-L711 HydrophobicContact CZ3-CD1 3.59Å; W681-L711 HydrophobicContact CZ3-CG 3.59Å |
| 682 | R | 84.4 | Confident | 82 | Confident | 148 Ų | 148 | 56.1 Ų | 56.1 | 56% | 0.558 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -59.6 | -37.4 | -179.2 | -74.3 | 173.9 | -169.6 | -166.7 | 4.2 | 112 | E678 A686 | E678-R682 WeakPolarHBondContact O-CB 3.45Å; E678-R682 VanDerWaalsContact O-CG 3.25Å; E678-R682 WeakPolarHBondContact O-CG 3.39Å; E678-R682 PolarHBondContact O-N 3.04Å; E678-R682 IonicContact OE1-CZ 3.85Å; E678-R682 VanDerWaalsContact OE1-CZ 3.24Å; E678-R682 IonicContact OE1-NE 3.5Å; E678-R682 PolarHBondContact OE1-NE 3.03Å; E678-R682 IonicContact OE1-NH2 2.76Å; E678-R682 PolarHBondContact OE1-NH2 3.41Å; R682-A686 WeakPolarHBondContact O-CB 3.48Å; R682-A686 PolarHBondContact O-N 3.47Å; R682-A686 VanDerWaalsContact O-N 3.15Å |
| 683 | R | 82.5 | Confident | 82.3 | Confident | 51 Ų | 51 | 56.2 Ų | 56.2 | 19% | 0.192 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71 | -47.1 | 178.2 | -161.7 | -173.2 | -62.2 | 127.6 | -1.2 | 112.2 | K679 H680 W681 A686 I687 S815 | K679-R683 PolarHBondContact O-N 3.09Å; H680-R683 PolarHBondContact CD2-NH1 3.42Å; H680-R683 VanDerWaalsContact CD2-NH1 3.34Å; H680-R683 PolarHBondContact O-N 2.89Å; W681-R683 PolarHBondContact O-N 3.2Å; R683-A686 PolarHBondContact O-N 3.45Å; R683-I687 HydrophobicContact CG-CD1 4.15Å; R683-I687 WeakPolarHBondContact O-CG1 3.15Å; R683-I687 PolarHBondContact O-N 3.49Å; R683-I687 VanDerWaalsContact O-N 3.09Å; R683-S815 WeakPolarHBondContact CD-O 3.47Å |
| 684 | E | 86.4 | Confident | 82.6 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 2% | 0.023 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61 | -48 | 178.8 | 174.9 | 161.1 | -144.8 | 0 | 0 | 111.6 | K669 H680 W681 I687 L688 L711 F812 G813 | K669-E684 IonicContact NZ-OE1 2.71Å; K669-E684 PolarHBondContact NZ-OE1 3.19Å; K669-E684 IonicContact NZ-OE2 2.67Å; K669-E684 PolarHBondContact NZ-OE2 2.88Å; H680-E684 PolarHBondContact O-N 2.92Å; W681-E684 PolarHBondContact O-N 3.36Å; E684-I687 PolarHBondContact O-N 3.05Å; E684-L688 HydrophobicContact CG-CD1 3.74Å; E684-L688 WeakPolarHBondContact O-CB 3.47Å; E684-L688 PolarHBondContact O-N 2.91Å; E684-L711 HydrophobicContact CG-CD1 3.84Å; E684-F812 HydrophobicContact CG-CB 4.05Å; E684-F812 PolarHBondContact OE1-N 2.97Å; E684-G813 PolarHBondContact OE1-N 2.89Å |
| 685 | H | 88.8 | Confident | 83.5 | Confident | 46 Ų | 46 | 55.8 Ų | 55.8 | 21% | 0.213 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.1 | -37 | -179.3 | 80.2 | -122.3 | 0 | 0 | 0 | 112.9 | W681 I687 L688 L689 T702 L711 | W681-H685 AromaticContact CD1-ND1 3.9Å; W681-H685 AromaticContact CD2-ND1 3.77Å; W681-H685 AromaticContact CE2-CE1 3.92Å; W681-H685 AromaticContact CE2-ND1 3.21Å; W681-H685 HydrophobicContact CH2-CB 4.19Å; W681-H685 HydrophobicContact CZ2-CB 4.26Å; W681-H685 AromaticContact CZ2-ND1 3.47Å; W681-H685 WeakPolarHBondContact CZ2-ND1 3.17Å; W681-H685 HydrophobicContact CZ3-CB 4.45Å; W681-H685 AromaticContact NE1-CE1 3.59Å; W681-H685 AromaticContact NE1-ND1 3.31Å; W681-H685 PolarHBondContact NE1-ND1 2.97Å; W681-H685 PolarHBondContact O-N 2.87Å; W681-H685 PolarHBondContact O-ND1 3.03Å; H685-I687 VanDerWaalsContact C-N 3.33Å; H685-I687 PolarHBondContact O-N 2.92Å; H685-L688 PolarHBondContact O-N 2.75Å; H685-L689 WeakPolarHBondContact O-CB 3.31Å; H685-L689 WeakPolarHBondContact O-CG 3.34Å; H685-L689 PolarHBondContact O-N 2.82Å; H685-T702 HydrophobicContact CB-CG2 3.78Å; H685-L711 HydrophobicContact CB-CD2 4.26Å |
| 686 | A | 86.9 | Confident | 84.4 | Confident | 52 Ų | 52 | 52.9 Ų | 52.9 | 43% | 0.43 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R682 R683 K690 | R682-A686 WeakPolarHBondContact O-CB 3.48Å; R682-A686 PolarHBondContact O-N 3.47Å; R682-A686 VanDerWaalsContact O-N 3.15Å; R683-A686 PolarHBondContact O-N 3.45Å; A686-K690 WeakPolarHBondContact O-CB 3.32Å; A686-K690 PolarHBondContact O-N 3.03Å |
| 687 | I | 87.2 | Confident | 85.7 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 6% | 0.062 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.2 | -52.5 | 174.2 | -69.9 | 168.6 | 0 | 0 | 0 | 110.3 | R683 E684 H685 L689 K690 H691 I775 F812 | R683-I687 HydrophobicContact CG-CD1 4.15Å; R683-I687 WeakPolarHBondContact O-CG1 3.15Å; R683-I687 PolarHBondContact O-N 3.49Å; R683-I687 VanDerWaalsContact O-N 3.09Å; E684-I687 PolarHBondContact O-N 3.05Å; H685-I687 VanDerWaalsContact C-N 3.33Å; H685-I687 PolarHBondContact O-N 2.92Å; I687-L689 PolarHBondContact O-N 2.88Å; I687-K690 PolarHBondContact O-N 2.93Å; I687-H691 PolarHBondContact O-CD2 2.76Å; I687-H691 PolarHBondContact O-N 3.23Å; I687-I775 HydrophobicContact CD1-CG2 4.05Å; I687-I775 HydrophobicContact CG1-CD1 4.12Å; I687-I775 HydrophobicContact CG2-CD1 4.2Å; I687-F812 HydrophobicContact CG2-CB 4.43Å; I687-F812 HydrophobicContact CG2-CD1 3.79Å; I687-F812 HydrophobicContact CG2-CE1 4.42Å; I687-F812 HydrophobicContact CG2-CG 4.21Å |
| 688 | L | 87.5 | Confident | 86.6 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.1 | -27.2 | -173.7 | -81.7 | 172.5 | 0 | 0 | 0 | 115 | E684 H685 V697 C699 L711 M713 F812 | E684-L688 HydrophobicContact CG-CD1 3.74Å; E684-L688 WeakPolarHBondContact O-CB 3.47Å; E684-L688 PolarHBondContact O-N 2.91Å; H685-L688 PolarHBondContact O-N 2.75Å; L688-V697 HydrophobicContact CD2-CG1 3.91Å; L688-V697 WeakPolarHBondContact CD2-O 3.27Å; L688-C699 HydrophobicContact CB-CB 3.84Å; L688-L711 HydrophobicContact CB-CD2 4.41Å; L688-L711 HydrophobicContact CD1-CD1 4.38Å; L688-L711 HydrophobicContact CD1-CD2 3.78Å; L688-M713 HydrophobicContact CD1-SD 4.43Å; L688-F812 HydrophobicContact CD1-CD2 4.25Å; L688-F812 HydrophobicContact CD2-CD2 3.49Å; L688-F812 VanDerWaalsContact CD2-CD2 3.49Å; L688-F812 HydrophobicContact CD2-CE2 3.79Å; L688-F812 HydrophobicContact CD2-CG 4.3Å; L688-F812 HydrophobicContact CG-CB 4.36Å; L688-F812 HydrophobicContact CG-CD2 3.88Å; L688-F812 HydrophobicContact CG-CG 4.29Å |
| 689 | L | 86.1 | Confident | 87.3 | Confident | 68 Ų | 68 | 53.3 Ų | 53.3 | 36% | 0.356 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -81.2 | -40.1 | 174 | -70.6 | 174.2 | 0 | 0 | 0 | 112.3 | H685 I687 C699 T702 | H685-L689 WeakPolarHBondContact O-CB 3.31Å; H685-L689 WeakPolarHBondContact O-CG 3.34Å; H685-L689 PolarHBondContact O-N 2.82Å; I687-L689 PolarHBondContact O-N 2.88Å; L689-C699 HydrophobicContact CD2-CB 4.4Å; L689-T702 HydrophobicContact CD1-CG2 4.23Å; L689-T702 HydrophobicContact CD2-CG2 4.45Å; L689-T702 HydrophobicContact CG-CG2 4.37Å |
| 690 | K | 86.4 | Confident | 87.9 | Confident | 168 Ų | 168 | 51.7 Ų | 51.7 | 73% | 0.73 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -80 | -31.1 | -172.7 | -172.4 | 178.3 | 176.7 | -172.2 | 0 | 113.5 | A686 I687 | A686-K690 WeakPolarHBondContact O-CB 3.32Å; A686-K690 PolarHBondContact O-N 3.03Å; I687-K690 PolarHBondContact O-N 2.93Å |
| 691 | H | 86.9 | Confident | 88.6 | Confident | 28 Ų | 28 | 51.2 Ų | 51.2 | 13% | 0.13 | 24% | 0.238 | C | C | . | . | trans | -114.1 | 107.9 | -172.8 | -59.1 | -81.1 | 0 | 0 | 0 | 111.5 | I687 N773 | I687-H691 PolarHBondContact O-CD2 2.76Å; I687-H691 PolarHBondContact O-N 3.23Å; H691-N773 VanDerWaalsContact CE1-CG 3.45Å; H691-N773 PolarHBondContact CE1-OD1 3.3Å; H691-N773 PolarHBondContact ND1-OD1 2.83Å; H691-N773 VanDerWaalsContact ND1-OD1 3.12Å | ||
| 692 | Q | 86.3 | Confident | 89 | Confident | 103 Ų | 103 | 52.3 Ų | 52.3 | 48% | 0.481 | 25% | 0.246 | S | C | . | . | trans | -115.5 | 130.8 | 179.5 | -59 | -172.5 | 30.4 | 0 | 0 | 110.8 | R698 | Q692-R698 VanDerWaalsContact OE1-CZ 3.28Š| ||
| 693 | H | 92.6 | Very high | 89.2 | Confident | 50 Ų | 50 | 45.9 Ų | 45.9 | 23% | 0.231 | 23% | 0.225 | C | C | . | . | trans | -153.7 | 145.9 | -177.4 | -179.9 | -107.8 | 0 | 0 | 0 | 109.1 | H695 L696 L765 | H693-H695 AromaticContact CE1-CD2 3.89Å; H693-H695 PolarHBondContact ND1-N 3.39Å; H693-H695 PolarHBondContact O-N 2.88Å; H693-L696 HydrophobicContact CB-CB 4.2Å; H693-L696 HydrophobicContact CB-CD1 3.67Å; H693-L696 HydrophobicContact CB-CG 3.8Å; H693-L696 PolarHBondContact O-N 3.06Å; H693-L765 PolarHBondContact CE1-O 3.22Å | ||
| 694 | P | 91.8 | Very high | 89.6 | Confident | 76 Ų | 76 | 44.3 Ų | 44.3 | 49% | 0.494 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -19 | -179.5 | 19.7 | -34.6 | 0 | 0 | 0 | 115.7 | R806 | P694-R806 PolarHBondContact O-NH1 2.76Š|
| 695 | H | 94.7 | Very high | 89.7 | Confident | 25 Ų | 25 | 44 Ų | 44 | 12% | 0.116 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 15.7 | 178.2 | -56.8 | -59.3 | 0 | 0 | 0 | 114.3 | H693 Q762 A766 V807 V808 V809 | H693-H695 AromaticContact CE1-CD2 3.89Å; H693-H695 PolarHBondContact ND1-N 3.39Å; H693-H695 PolarHBondContact O-N 2.88Å; H695-Q762 VanDerWaalsContact CB-O 3.24Å; H695-Q762 WeakPolarHBondContact CB-O 3.43Å; H695-Q762 VanDerWaalsContact CE1-CG 3.41Å; H695-Q762 WeakPolarHBondContact CE1-CG 3.37Å; H695-Q762 PolarHBondContact CE1-OE1 3.26Å; H695-Q762 PolarHBondContact ND1-OE1 3.01Å; H695-A766 HydrophobicContact CB-CB 3.82Å; H695-A766 WeakPolarHBondContact O-CB 3.23Å; H695-V807 PolarHBondContact ND1-O 2.6Å; H695-V808 CarbonylContact O-C 3.54Å; H695-V808 VanDerWaalsContact O-CA 3.31Å; H695-V808 WeakPolarHBondContact O-CA 3.42Å; H695-V809 PolarHBondContact O-N 3.16Å |
| 696 | L | 93.8 | Very high | 89.5 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -109.1 | 145.1 | 165.7 | -63.2 | 173 | 0 | 0 | 0 | 108.9 | H693 R698 A766 L770 V809 F812 | H693-L696 HydrophobicContact CB-CB 4.2Å; H693-L696 HydrophobicContact CB-CD1 3.67Å; H693-L696 HydrophobicContact CB-CG 3.8Å; H693-L696 PolarHBondContact O-N 3.06Å; L696-R698 PolarHBondContact O-N 3.45Å; L696-A766 HydrophobicContact CD2-CB 3.89Å; L696-A766 HydrophobicContact CG-CB 4.41Å; L696-L770 HydrophobicContact CD1-CD2 4.06Å; L696-L770 HydrophobicContact CD1-CG 4.47Å; L696-L770 HydrophobicContact CD2-CD1 3.91Å; L696-L770 HydrophobicContact CD2-CD2 4.02Å; L696-L770 HydrophobicContact CD2-CG 3.92Å; L696-V809 HydrophobicContact CD2-CB 4.32Å; L696-F812 HydrophobicContact CD2-CE1 4.41Å; L696-F812 HydrophobicContact CD2-CZ 3.79Å |
| 697 | V | 92.8 | Very high | 89.5 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.03 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 121.4 | 175.8 | 72.4 | 0 | 0 | 0 | 0 | 109.5 | L688 C699 M713 Q714 V808 V809 F812 | L688-V697 HydrophobicContact CD2-CG1 3.91Å; L688-V697 WeakPolarHBondContact CD2-O 3.27Å; V697-C699 PolarHBondContact O-N 3.43Å; V697-M713 HydrophobicContact CG2-CB 4.43Å; V697-Q714 HydrophobicContact CG2-CB 4.2Å; V697-V808 HydrophobicContact CB-CG2 4.23Å; V697-V809 PolarHBondContact N-O 3.27Å; V697-F812 HydrophobicContact CG1-CE2 4.21Å |
| 698 | R | 91 | Very high | 89.6 | Confident | 120 Ų | 120 | 48.4 Ų | 48.4 | 45% | 0.453 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -75.1 | 128.5 | -176.7 | -160.2 | 178.9 | -161.6 | -170.2 | 4.2 | 110.4 | Q692 L696 Y700 M713 Q714 | Q692-R698 VanDerWaalsContact OE1-CZ 3.28Å; L696-R698 PolarHBondContact O-N 3.45Å; R698-Y700 HydrophobicContact CG-CE1 4.5Å; R698-M713 CarbonylContact O-C 3.38Å; R698-M713 VanDerWaalsContact O-CA 3.31Å; R698-M713 WeakPolarHBondContact O-CA 3.28Å; R698-Q714 HydrophobicContact CB-CB 4.18Å; R698-Q714 PolarHBondContact O-N 3.15Å |
| 699 | C | 91.9 | Very high | 89.8 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 3% | 0.027 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 136.7 | 159.8 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | L688 L689 V697 W701 L711 V712 | L688-C699 HydrophobicContact CB-CB 3.84Å; L689-C699 HydrophobicContact CD2-CB 4.4Å; V697-C699 PolarHBondContact O-N 3.43Å; C699-W701 PolarHBondContact SG-O 3.23Å; C699-W701 VanDerWaalsContact SG-O 3.36Å; C699-L711 HydrophobicContact CB-CD2 4.37Å; C699-V712 PolarHBondContact SG-O 2.87Å; C699-V712 VanDerWaalsContact SG-O 3.35Å |
| 700 | Y | 89.8 | Confident | 90.1 | Very high | 67 Ų | 67 | 44.9 Ų | 44.9 | 26% | 0.263 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -35.6 | 174.5 | -55.6 | -73.7 | 0 | 0 | 0 | 112 | T666 R698 V712 Q714 | T666-Y700 HydrophobicContact CG2-CD2 3.82Å; T666-Y700 HydrophobicContact CG2-CE2 3.77Å; R698-Y700 HydrophobicContact CG-CE1 4.5Å; Y700-V712 HydrophobicContact CD2-CG1 4.37Å; Y700-V712 PolarHBondContact N-O 3.23Å; Y700-Q714 HydrophobicContact CE2-CB 4.21Å |
| 701 | W | 90 | Very high | 90.4 | Very high | 24 Ų | 24 | 36.9 Ų | 36.9 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 152.7 | -172.1 | -177.4 | 92.6 | 0 | 0 | 0 | 112.2 | L613 F617 I639 Y661 C699 V712 | L613-W701 HydrophobicContact CD1-CH2 3.76Å; L613-W701 HydrophobicContact CD1-CZ3 4.47Å; L613-W701 HydrophobicContact CD2-CH2 3.76Å; L613-W701 HydrophobicContact CD2-CZ2 3.97Å; L613-W701 HydrophobicContact CG-CH2 4.33Å; F617-W701 HydrophobicContact CE2-CH2 4.26Å; F617-W701 HydrophobicContact CZ-CH2 4.21Å; F617-W701 HydrophobicContact CZ-CZ3 4.19Å; I639-W701 HydrophobicContact CD1-CB 4.48Å; I639-W701 HydrophobicContact CD1-CD2 3.28Å; I639-W701 VanDerWaalsContact CD1-CE2 3.4Å; I639-W701 HydrophobicContact CD1-CE3 3.45Å; I639-W701 VanDerWaalsContact CD1-CE3 3.45Å; I639-W701 HydrophobicContact CD1-CG 3.79Å; I639-W701 HydrophobicContact CD1-CH2 3.68Å; I639-W701 HydrophobicContact CD1-CZ2 3.61Å; I639-W701 HydrophobicContact CD1-CZ3 3.64Å; Y661-W701 HydrophobicContact CD2-CB 4.14Å; Y661-W701 HydrophobicContact CE2-CB 3.5Å; Y661-W701 VanDerWaalsContact CE2-CB 3.5Å; Y661-W701 AromaticContact CE2-CG 3.9Å; Y661-W701 HydrophobicContact CE2-CG 3.9Å; C699-W701 PolarHBondContact SG-O 3.23Å; C699-W701 VanDerWaalsContact SG-O 3.36Å; W701-V712 HydrophobicContact CB-CB 4.22Å; W701-V712 HydrophobicContact CE3-CB 4.49Å; W701-V712 HydrophobicContact CE3-CG2 3.68Å; W701-V712 HydrophobicContact CZ3-CG2 4.28Å; W701-V712 WeakPolarHBondContact O-CB 3.18Å; W701-V712 PolarHBondContact O-N 2.68Å |
| 702 | T | 90.5 | Very high | 90.7 | Very high | 34 Ų | 34 | 35.5 Ų | 35.5 | 21% | 0.209 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 144.5 | 173.6 | 55.8 | 0 | 0 | 0 | 0 | 112.5 | W681 H685 L689 Y710 L711 | W681-T702 HydrophobicContact CH2-CG2 4.12Å; H685-T702 HydrophobicContact CB-CG2 3.78Å; L689-T702 HydrophobicContact CD1-CG2 4.23Å; L689-T702 HydrophobicContact CD2-CG2 4.45Å; L689-T702 HydrophobicContact CG-CG2 4.37Å; T702-Y710 VanDerWaalsContact CA-O 3.24Å; T702-Y710 WeakPolarHBondContact CA-O 3.38Å; T702-L711 HydrophobicContact CG2-CD2 3.57Å; T702-L711 HydrophobicContact CG2-CG 4.08Å |
| 703 | G | 89.1 | Confident | 91.1 | Very high | 12 Ų | 12 | 31.6 Ų | 31.6 | 12% | 0.124 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 178.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y710 | G703-Y710 PolarHBondContact N-O 3.18Å; G703-Y710 PolarHBondContact O-N 3.45Å |
| 704 | S | 90.7 | Very high | 91.1 | Very high | 18 Ų | 18 | 30.6 Ų | 30.6 | 13% | 0.126 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 131 | -179.7 | -63 | 0 | 0 | 0 | 0 | 111.6 | L612 L613 F708 H709 | L612-S704 WeakPolarHBondContact CA-O 3.22Å; L613-S704 WeakPolarHBondContact CB-O 3.4Å; L613-S704 WeakPolarHBondContact CG-O 3.27Å; L613-S704 PolarHBondContact N-O 3.28Å; S704-F708 CarbonylContact C-O 3.34Å; S704-F708 WeakPolarHBondContact CA-O 3.27Å; S704-H709 PolarHBondContact OG-ND1 3.28Å |
| 705 | T | 88.8 | Confident | 91 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -89.8 | -171.5 | 165.8 | 55.4 | 0 | 0 | 0 | 0 | 109.9 | L613 F617 D618 R673 N707 F708 Y710 | L613-T705 HydrophobicContact CB-CG2 3.66Å; L613-T705 HydrophobicContact CD1-CG2 4.14Å; F617-T705 HydrophobicContact CB-CG2 3.89Å; F617-T705 HydrophobicContact CD1-CG2 3.96Å; F617-T705 HydrophobicContact CG-CG2 4.25Å; D618-T705 WeakPolarHBondContact OD1-CB 3.49Å; D618-T705 WeakPolarHBondContact OD1-CG2 3.19Å; D618-T705 PolarHBondContact OD1-OG1 3.14Å; D618-T705 PolarHBondContact OD2-OG1 3.07Å; D618-T705 VanDerWaalsContact OD2-OG1 3.11Å; R673-T705 WeakPolarHBondContact CD-O 3.37Å; R673-T705 PolarHBondContact NH1-O 2.94Å; R673-T705 VanDerWaalsContact NH1-O 3.12Å; T705-N707 PolarHBondContact O-N 3.32Å; T705-N707 PolarHBondContact OG1-N 3.41Å; T705-F708 PolarHBondContact N-O 3.16Å; T705-F708 PolarHBondContact OG1-N 3.16Å; T705-F708 VanDerWaalsContact OG1-N 3.09Å; T705-F708 PolarHBondContact OG1-O 2.76Å; T705-Y710 HydrophobicContact CG2-CE2 4.24Å | ||
| 706 | A | 84 | Confident | 90.9 | Very high | 71 Ų | 71 | 29.7 Ų | 29.7 | 59% | 0.587 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -60.5 | -35.2 | 167 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 707 | N | 86.6 | Confident | 90.7 | Very high | 91 Ų | 91 | 32.6 Ų | 32.6 | 49% | 0.487 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -102.3 | -34 | -167.8 | -53.4 | -60.8 | 0 | 0 | 0 | 114.1 | D618 R673 T705 | D618-N707 PolarHBondContact OD2-ND2 2.9Å; R673-N707 WeakPolarHBondContact CB-O 3.38Å; R673-N707 PolarHBondContact N-O 2.98Å; T705-N707 PolarHBondContact O-N 3.32Å; T705-N707 PolarHBondContact OG1-N 3.41Å |
| 708 | F | 91.3 | Very high | 90.5 | Very high | 39 Ų | 39 | 34.3 Ų | 34.3 | 17% | 0.171 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 146.7 | -170.8 | -56.4 | -71.8 | 0 | 0 | 0 | 113.3 | R670 I671 V672 R673 S704 T705 Y710 | R670-F708 HydrophobicContact CG-CB 3.61Å; R670-F708 HydrophobicContact CG-CD1 3.82Å; R670-F708 HydrophobicContact CG-CD2 4.49Å; R670-F708 HydrophobicContact CG-CG 3.71Å; I671-F708 CarbonylContact O-C 3.55Å; I671-F708 WeakPolarHBondContact O-CA 3.06Å; V672-F708 HydrophobicContact CG2-CE1 4.33Å; R673-F708 VanDerWaalsContact CG-C 3.49Å; S704-F708 CarbonylContact C-O 3.34Å; S704-F708 WeakPolarHBondContact CA-O 3.27Å; T705-F708 PolarHBondContact N-O 3.16Å; T705-F708 PolarHBondContact OG1-N 3.16Å; T705-F708 VanDerWaalsContact OG1-N 3.09Å; T705-F708 PolarHBondContact OG1-O 2.76Å; F708-Y710 HydrophobicContact CB-CD2 4.19Å; F708-Y710 HydrophobicContact CB-CE2 3.53Å |
| 709 | H | 91.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 148 | 161.9 | -58.1 | -65.7 | 0 | 0 | 0 | 109.7 | R670 I671 R673 E678 W681 S704 | R670-H709 WeakPolarHBondContact CA-O 3.48Å; I671-H709 HydrophobicContact CB-CB 4.37Å; I671-H709 PolarHBondContact N-O 3.08Å; I671-H709 PolarHBondContact O-N 3.45Å; R673-H709 PolarHBondContact NE-CE1 3.34Å; E678-H709 IonicContact OE1-CE1 3.22Å; E678-H709 IonicContact OE2-CE1 3.95Å; E678-H709 PolarHBondContact OE2-CE1 2.65Å; E678-H709 VanDerWaalsContact OE2-CE1 3.29Å; E678-H709 IonicContact OE2-NE2 3.86Å; E678-H709 PolarHBondContact OE2-NE2 2.97Å; W681-H709 AromaticContact CD1-CD2 3.7Å; W681-H709 AromaticContact CD1-CE1 3.23Å; W681-H709 AromaticContact CD1-CG 3.74Å; W681-H709 AromaticContact CD1-ND1 3.47Å; W681-H709 AromaticContact CD1-NE2 3.42Å; W681-H709 HydrophobicContact CD2-CB 3.48Å; W681-H709 VanDerWaalsContact CD2-CB 3.48Å; W681-H709 AromaticContact CD2-CD2 3.76Å; W681-H709 AromaticContact CD2-CG 3.47Å; W681-H709 VanDerWaalsContact CD2-CG 3.47Å; W681-H709 AromaticContact CD2-ND1 3.84Å; W681-H709 AromaticContact CE2-CG 3.6Å; W681-H709 AromaticContact CE2-ND1 3.52Å; W681-H709 HydrophobicContact CE3-CB 3.46Å; W681-H709 VanDerWaalsContact CE3-CB 3.46Å; W681-H709 AromaticContact CE3-CG 3.98Å; W681-H709 HydrophobicContact CG-CB 4.13Å; W681-H709 AromaticContact CG-CD2 3.42Å; W681-H709 VanDerWaalsContact CG-CD2 3.42Å; W681-H709 AromaticContact CG-CE1 3.78Å; W681-H709 AromaticContact CG-CG 3.61Å; W681-H709 AromaticContact CG-ND1 3.83Å; W681-H709 AromaticContact CG-NE2 3.58Å; W681-H709 HydrophobicContact CH2-CB 3.83Å; W681-H709 HydrophobicContact CZ2-CB 3.86Å; W681-H709 HydrophobicContact CZ3-CB 3.61Å; W681-H709 AromaticContact NE1-CE1 3.45Å; W681-H709 PolarHBondContact NE1-CE1 2.97Å; W681-H709 AromaticContact NE1-CG 3.74Å; W681-H709 AromaticContact NE1-ND1 3.26Å; W681-H709 PolarHBondContact NE1-ND1 3.06Å; S704-H709 PolarHBondContact OG-ND1 3.28Å |
| 710 | Y | 92.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 121.5 | -174 | -73.4 | -87 | 0 | 0 | 0 | 111.8 | L613 F617 D618 F641 V668 R670 W681 T702 G703 T705 F708 | L613-Y710 HydrophobicContact CD1-CD2 4.46Å; F617-Y710 HydrophobicContact CD1-CD2 4.14Å; F617-Y710 HydrophobicContact CD1-CE1 4.49Å; F617-Y710 AromaticContact CD1-CE2 3.74Å; F617-Y710 HydrophobicContact CD1-CE2 3.74Å; F617-Y710 AromaticContact CD1-CZ 3.94Å; F617-Y710 AromaticContact CE1-CD1 3.89Å; F617-Y710 HydrophobicContact CE1-CD1 3.89Å; F617-Y710 AromaticContact CE1-CD2 3.63Å; F617-Y710 HydrophobicContact CE1-CD2 3.63Å; F617-Y710 AromaticContact CE1-CE1 3.85Å; F617-Y710 HydrophobicContact CE1-CE1 3.85Å; F617-Y710 AromaticContact CE1-CE2 3.61Å; F617-Y710 HydrophobicContact CE1-CE2 3.61Å; F617-Y710 AromaticContact CE1-CG 3.77Å; F617-Y710 HydrophobicContact CE1-CG 3.77Å; F617-Y710 AromaticContact CE1-CZ 3.72Å; F617-Y710 HydrophobicContact CZ-CG 4.5Å; D618-Y710 PolarHBondContact OD1-OH 3.5Å; D618-Y710 VanDerWaalsContact OD1-OH 3.07Å; F641-Y710 HydrophobicContact CE1-CD1 4.48Å; F641-Y710 AromaticContact CE1-CE1 3.87Å; F641-Y710 HydrophobicContact CE1-CE1 3.87Å; F641-Y710 AromaticContact CE2-CE1 3.87Å; F641-Y710 HydrophobicContact CE2-CE1 3.87Å; F641-Y710 HydrophobicContact CZ-CD1 4.45Å; F641-Y710 AromaticContact CZ-CE1 3.46Å; F641-Y710 HydrophobicContact CZ-CE1 3.46Å; F641-Y710 VanDerWaalsContact CZ-CE1 3.46Å; F641-Y710 AromaticContact CZ-CZ 3.79Å; V668-Y710 HydrophobicContact CG1-CD1 3.76Å; V668-Y710 HydrophobicContact CG1-CE1 4.41Å; R670-Y710 HydrophobicContact CB-CD1 4.17Å; R670-Y710 HydrophobicContact CB-CE1 3.91Å; R670-Y710 WeakPolarHBondContact CD-OH 3.45Å; R670-Y710 HydrophobicContact CG-CD1 4.07Å; R670-Y710 HydrophobicContact CG-CE1 3.54Å; R670-Y710 HydrophobicContact CG-CE2 4.41Å; W681-Y710 WeakPolarHBondContact CH2-O 3.49Å; T702-Y710 VanDerWaalsContact CA-O 3.24Å; T702-Y710 WeakPolarHBondContact CA-O 3.38Å; G703-Y710 PolarHBondContact N-O 3.18Å; G703-Y710 PolarHBondContact O-N 3.45Å; T705-Y710 HydrophobicContact CG2-CE2 4.24Å; F708-Y710 HydrophobicContact CB-CD2 4.19Å; F708-Y710 HydrophobicContact CB-CE2 3.53Å |
| 711 | L | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 118.1 | 167.6 | -88.1 | 148.3 | 0 | 0 | 0 | 109.2 | V668 K669 I671 W681 E684 H685 L688 C699 T702 M713 | V668-L711 CarbonylContact C-O 3.52Å; V668-L711 WeakPolarHBondContact CA-O 3.48Å; K669-L711 HydrophobicContact CB-CB 4.1Å; K669-L711 HydrophobicContact CD-CD1 4.17Å; K669-L711 PolarHBondContact N-O 3.11Å; K669-L711 PolarHBondContact O-N 3.24Å; I671-L711 HydrophobicContact CD1-CD1 4.12Å; W681-L711 HydrophobicContact CE3-CD1 4.22Å; W681-L711 HydrophobicContact CH2-CD1 4.48Å; W681-L711 HydrophobicContact CH2-CG 4.02Å; W681-L711 HydrophobicContact CZ3-CD1 3.59Å; W681-L711 HydrophobicContact CZ3-CG 3.59Å; E684-L711 HydrophobicContact CG-CD1 3.84Å; H685-L711 HydrophobicContact CB-CD2 4.26Å; L688-L711 HydrophobicContact CB-CD2 4.41Å; L688-L711 HydrophobicContact CD1-CD1 4.38Å; L688-L711 HydrophobicContact CD1-CD2 3.78Å; C699-L711 HydrophobicContact CB-CD2 4.37Å; T702-L711 HydrophobicContact CG2-CD2 3.57Å; T702-L711 HydrophobicContact CG2-CG 4.08Å; L711-M713 HydrophobicContact CB-CG 4.03Å; L711-M713 HydrophobicContact CB-SD 4.24Å |
| 712 | V | 93.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 113.2 | 172.9 | 179.6 | 0 | 0 | 0 | 0 | 108 | I639 Y661 T666 V668 C699 Y700 W701 | I639-V712 HydrophobicContact CG2-CG2 3.8Å; Y661-V712 HydrophobicContact CD2-CG1 4Å; Y661-V712 HydrophobicContact CG-CG1 4.22Å; T666-V712 HydrophobicContact CG2-CG1 3.88Å; V668-V712 HydrophobicContact CG1-CG2 4.5Å; V668-V712 HydrophobicContact CG2-CG1 4.5Å; V668-V712 HydrophobicContact CG2-CG2 4.18Å; C699-V712 PolarHBondContact SG-O 2.87Å; C699-V712 VanDerWaalsContact SG-O 3.35Å; Y700-V712 HydrophobicContact CD2-CG1 4.37Å; Y700-V712 PolarHBondContact N-O 3.23Å; W701-V712 HydrophobicContact CB-CB 4.22Å; W701-V712 HydrophobicContact CE3-CB 4.49Å; W701-V712 HydrophobicContact CE3-CG2 3.68Å; W701-V712 HydrophobicContact CZ3-CG2 4.28Å; W701-V712 WeakPolarHBondContact O-CB 3.18Å; W701-V712 PolarHBondContact O-N 2.68Å |
| 713 | M | 93.3 | Very high | 90 | Very high | 21 Ų | 21 | 31.1 Ų | 31.1 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 164.1 | -167.1 | -49.3 | -172.5 | -52.5 | 0 | 0 | 112.4 | T666 A667 K669 L688 V697 R698 L711 R715 | T666-M713 WeakPolarHBondContact CA-O 3.28Å; T666-M713 VanDerWaalsContact CB-O 3.29Å; T666-M713 WeakPolarHBondContact CB-O 3.34Å; A667-M713 PolarHBondContact N-O 2.82Å; A667-M713 WeakPolarHBondContact O-CA 3.19Å; A667-M713 WeakPolarHBondContact O-CB 3.2Å; A667-M713 PolarHBondContact O-N 3.39Å; K669-M713 HydrophobicContact CB-CE 3.85Å; K669-M713 HydrophobicContact CB-SD 4.25Å; K669-M713 HydrophobicContact CD-CE 4.42Å; K669-M713 HydrophobicContact CD-SD 4.42Å; L688-M713 HydrophobicContact CD1-SD 4.43Å; V697-M713 HydrophobicContact CG2-CB 4.43Å; R698-M713 CarbonylContact O-C 3.38Å; R698-M713 VanDerWaalsContact O-CA 3.31Å; R698-M713 WeakPolarHBondContact O-CA 3.28Å; L711-M713 HydrophobicContact CB-CG 4.03Å; L711-M713 HydrophobicContact CB-SD 4.24Å; M713-R715 PolarHBondContact O-N 3.07Å |
| 714 | Q | 92 | Very high | 89.7 | Confident | 28 Ų | 28 | 30.6 Ų | 30.6 | 13% | 0.131 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 124.9 | 172.5 | -172.7 | 165.8 | 12.5 | 0 | 0 | 111 | V697 R698 Y700 C716 I788 | V697-Q714 HydrophobicContact CG2-CB 4.2Å; R698-Q714 HydrophobicContact CB-CB 4.18Å; R698-Q714 PolarHBondContact O-N 3.15Å; Y700-Q714 HydrophobicContact CE2-CB 4.21Å; Q714-C716 PolarHBondContact O-N 3.36Å; Q714-I788 HydrophobicContact CG-CD1 4.17Å |
| 715 | R | 91.7 | Very high | 89 | Confident | 60 Ų | 60 | 32.3 Ų | 32.3 | 23% | 0.226 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 118.5 | 174.1 | -174.2 | 167.6 | 171.4 | 58.3 | 13.7 | 109.7 | E665 M713 | E665-R715 VanDerWaalsContact CB-CD 3.41Å; E665-R715 WeakPolarHBondContact O-CB 3.29Å; E665-R715 WeakPolarHBondContact OE2-CD 3.4Å; E665-R715 IonicContact OE2-CZ 2.72Å; E665-R715 IonicContact OE2-NE 2.7Å; E665-R715 PolarHBondContact OE2-NE 3.25Å; M713-R715 PolarHBondContact O-N 3.07Å |
| 716 | C | 91.9 | Very high | 87.7 | Confident | 22 Ų | 22 | 35 Ų | 35 | 15% | 0.149 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -99.6 | 157.4 | 170.2 | -57.1 | 0 | 0 | 0 | 0 | 109.3 | Q714 L786 I788 | Q714-C716 PolarHBondContact O-N 3.36Å; C716-L786 HydrophobicContact CB-CB 3.8Å; C716-L786 HydrophobicContact CB-CD1 4.08Å; C716-L786 HydrophobicContact CB-CG 4.49Å; C716-I788 HydrophobicContact CB-CG1 4.27Å |
| 717 | S | 88.9 | Confident | 86.6 | Confident | 68 Ų | 68 | 32.6 Ų | 32.6 | 48% | 0.476 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -91.7 | -38.1 | -172.3 | -59.5 | 0 | 0 | 0 | 0 | 112.8 | I787 | S717-I787 PolarHBondContact N-O 3.49Š|
| 718 | L | 88.8 | Confident | 84.8 | Confident | 41 Ų | 41 | 31.2 Ų | 31.2 | 22% | 0.215 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 165.1 | 175.4 | 59.2 | 148.5 | 0 | 0 | 0 | 110.8 | A723 L748 I787 | L718-A723 HydrophobicContact CD1-CB 3.7Å; L718-L748 HydrophobicContact CD1-CD2 4.35Å; L718-I787 HydrophobicContact CD1-CD1 4.41Å; L718-I787 HydrophobicContact CG-CB 4.37Å; L718-I787 HydrophobicContact CG-CD1 4.46Å; L718-I787 PolarHBondContact O-N 2.83Å |
| 719 | S | 91.2 | Very high | 82.5 | Confident | 10 Ų | 10 | 32.5 Ų | 32.5 | 7% | 0.07 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 158.3 | 168.1 | 68 | 0 | 0 | 0 | 0 | 112.7 | N721 E722 A723 | S719-N721 PolarHBondContact O-N 3.35Å; S719-E722 VanDerWaalsContact CB-OE2 3.29Å; S719-E722 WeakPolarHBondContact CB-OE2 3.19Å; S719-E722 PolarHBondContact N-OE2 3.45Å; S719-E722 PolarHBondContact O-N 3.25Å; S719-E722 VanDerWaalsContact O-N 3.16Å; S719-E722 VanDerWaalsContact OG-CD 3.27Å; S719-E722 WeakPolarHBondContact OG-CG 3.4Å; S719-E722 PolarHBondContact OG-N 2.68Å; S719-E722 PolarHBondContact OG-OE2 3.12Å; S719-A723 PolarHBondContact O-N 2.93Å |
| 720 | L | 90.4 | Very high | 80.1 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.8 | -33.7 | 173.1 | 177.4 | 65.5 | 0 | 0 | 0 | 111.9 | A723 L724 I759 P782 I785 L960 V964 | L720-A723 PolarHBondContact O-N 2.97Å; L720-L724 HydrophobicContact CD1-CD1 3.93Å; L720-L724 HydrophobicContact CD1-CG 4.3Å; L720-L724 HydrophobicContact CG-CD1 4.29Å; L720-L724 PolarHBondContact O-N 2.72Å; L720-L724 VanDerWaalsContact O-N 3.15Å; L720-I759 HydrophobicContact CD1-CG2 4.31Å; L720-I759 HydrophobicContact CD2-CG2 4.48Å; L720-P782 PolarHBondContact N-O 3.15Å; L720-I785 HydrophobicContact CB-CB 3.96Å; L720-I785 HydrophobicContact CB-CG2 4.05Å; L720-I785 WeakPolarHBondContact CB-O 3.45Å; L720-I785 HydrophobicContact CD2-CB 3.99Å; L720-I785 HydrophobicContact CD2-CG1 4.37Å; L720-I785 HydrophobicContact CD2-CG2 3.86Å; L720-I785 PolarHBondContact N-O 2.79Å; L720-L960 HydrophobicContact CD2-CD2 4.48Å; L720-V964 HydrophobicContact CD1-CG2 4.22Å; L720-V964 HydrophobicContact CD2-CG2 3.65Å; L720-V964 HydrophobicContact CG-CG2 4.46Å |
| 721 | N | 88.9 | Confident | 77.6 | Confident | 65 Ų | 65 | 41.3 Ų | 41.3 | 35% | 0.348 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60 | -44 | 173.3 | -170.4 | 72.4 | 0 | 0 | 0 | 111.9 | S719 S725 P782 Y963 | S719-N721 PolarHBondContact O-N 3.35Å; N721-S725 WeakPolarHBondContact O-CB 3.49Å; N721-S725 PolarHBondContact O-N 3.02Å; N721-S725 PolarHBondContact O-OG 3.16Å; N721-P782 HydrophobicContact CB-CB 3.79Å; N721-P782 PolarHBondContact N-O 1.87Å; N721-Y963 PolarHBondContact OD1-OH 2.89Å |
| 722 | E | 87.5 | Confident | 75 | Confident | 107 Ų | 107 | 45.3 Ų | 45.3 | 50% | 0.5 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.8 | -44 | 178.3 | -70.8 | 157.3 | 135.2 | 0 | 0 | 111.1 | S719 L724 S725 S726 | S719-E722 VanDerWaalsContact CB-OE2 3.29Å; S719-E722 WeakPolarHBondContact CB-OE2 3.19Å; S719-E722 PolarHBondContact N-OE2 3.45Å; S719-E722 PolarHBondContact O-N 3.25Å; S719-E722 VanDerWaalsContact O-N 3.16Å; S719-E722 VanDerWaalsContact OG-CD 3.27Å; S719-E722 WeakPolarHBondContact OG-CG 3.4Å; S719-E722 PolarHBondContact OG-N 2.68Å; S719-E722 PolarHBondContact OG-OE2 3.12Å; E722-L724 VanDerWaalsContact C-N 3.34Å; E722-L724 PolarHBondContact O-N 3.22Å; E722-S725 PolarHBondContact O-N 2.94Å; E722-S726 PolarHBondContact O-N 3.08Å; E722-S726 PolarHBondContact O-OG 2.88Å; E722-S726 VanDerWaalsContact O-OG 3.08Å |
| 723 | A | 85.1 | Confident | 72.2 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -52.9 | -49.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L718 S719 L720 S726 L727 L748 L749 I787 | L718-A723 HydrophobicContact CD1-CB 3.7Å; S719-A723 PolarHBondContact O-N 2.93Å; L720-A723 PolarHBondContact O-N 2.97Å; A723-S726 PolarHBondContact O-OG 3.45Å; A723-L727 WeakPolarHBondContact O-CD1 3.19Å; A723-L748 HydrophobicContact CB-CD2 4.21Å; A723-L749 HydrophobicContact CB-CD2 4.17Å; A723-I787 HydrophobicContact CB-CD1 4.15Å |
| 724 | L | 83.1 | Confident | 69.3 | Low | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -82.7 | -25.9 | -177.4 | -67.4 | 175.9 | 0 | 0 | 0 | 113.3 | L720 E722 L727 S728 L749 Y963 Y967 | L720-L724 HydrophobicContact CD1-CD1 3.93Å; L720-L724 HydrophobicContact CD1-CG 4.3Å; L720-L724 HydrophobicContact CG-CD1 4.29Å; L720-L724 PolarHBondContact O-N 2.72Å; L720-L724 VanDerWaalsContact O-N 3.15Å; E722-L724 VanDerWaalsContact C-N 3.34Å; E722-L724 PolarHBondContact O-N 3.22Å; L724-L727 PolarHBondContact O-N 3.01Å; L724-S728 PolarHBondContact O-N 2.93Å; L724-S728 PolarHBondContact O-OG 3.34Å; L724-L749 HydrophobicContact CD2-CD1 3.76Å; L724-Y963 HydrophobicContact CB-CE1 4.35Å; L724-Y963 HydrophobicContact CD1-CD1 3.82Å; L724-Y963 HydrophobicContact CD1-CE1 3.58Å; L724-Y967 HydrophobicContact CD2-CD1 3.76Å; L724-Y967 HydrophobicContact CD2-CG 4.34Å |
| 725 | S | 75.7 | Confident | 66.3 | Low | 54 Ų | 54 | 64 Ų | 64 | 38% | 0.378 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.6 | -36.6 | 172.4 | -63.8 | 0 | 0 | 0 | 0 | 112.2 | N721 E722 S728 A729 | N721-S725 WeakPolarHBondContact O-CB 3.49Å; N721-S725 PolarHBondContact O-N 3.02Å; N721-S725 PolarHBondContact O-OG 3.16Å; E722-S725 PolarHBondContact O-N 2.94Å; S725-S728 WeakPolarHBondContact O-CB 3.37Å; S725-S728 PolarHBondContact O-N 2.77Å; S725-A729 PolarHBondContact O-N 3.17Å; S725-A729 VanDerWaalsContact O-N 3.11Å |
| 726 | S | 61.9 | Low | 63.3 | Low | 58 Ų | 58 | 68.9 Ų | 68.9 | 41% | 0.406 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 175.6 | 36 | 0 | 0 | 0 | 0 | 113 | E722 A723 S728 A729 S730 | E722-S726 PolarHBondContact O-N 3.08Å; E722-S726 PolarHBondContact O-OG 2.88Å; E722-S726 VanDerWaalsContact O-OG 3.08Å; A723-S726 PolarHBondContact O-OG 3.45Å; S726-S728 VanDerWaalsContact C-N 3.27Å; S726-S728 PolarHBondContact O-N 3.05Å; S726-A729 PolarHBondContact O-N 2.78Å; S726-S730 PolarHBondContact O-N 2.97Å; S726-S730 PolarHBondContact O-OG 2.99Å |
| 727 | L | 60 | Low | 60.6 | Low | 19 Ų | 19 | 75.4 Ų | 75.4 | 10% | 0.099 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.9 | -36.6 | 174.2 | -89 | 69.5 | 0 | 0 | 0 | 111.9 | A723 L724 S730 N731 L748 Y967 | A723-L727 WeakPolarHBondContact O-CD1 3.19Å; L724-L727 PolarHBondContact O-N 3.01Å; L727-S730 PolarHBondContact O-OG 2.77Å; L727-N731 PolarHBondContact O-ND2 3.38Å; L727-L748 HydrophobicContact CD1-CB 3.64Å; L727-Y967 HydrophobicContact CD2-CD1 3.97Å |
| 728 | S | 48.2 | Very low | 57.9 | Low | 62 Ų | 62 | 79 Ų | 79 | 43% | 0.434 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 179.8 | -62 | 0 | 0 | 0 | 0 | 112.5 | L724 S725 S726 N731 | L724-S728 PolarHBondContact O-N 2.93Å; L724-S728 PolarHBondContact O-OG 3.34Å; S725-S728 WeakPolarHBondContact O-CB 3.37Å; S725-S728 PolarHBondContact O-N 2.77Å; S726-S728 VanDerWaalsContact C-N 3.27Å; S726-S728 PolarHBondContact O-N 3.05Å; S728-N731 PolarHBondContact O-N 2.66Å |
| 729 | A | 43 | Very low | 55.2 | Low | 66 Ų | 66 | 84.5 Ų | 84.5 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.2 | -37.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | S725 S726 N731 A732 | S725-A729 PolarHBondContact O-N 3.17Å; S725-A729 VanDerWaalsContact O-N 3.11Å; S726-A729 PolarHBondContact O-N 2.78Å; A729-N731 PolarHBondContact O-N 2.81Å; A729-A732 PolarHBondContact O-N 3.32Å; A729-A732 VanDerWaalsContact O-N 3.16Å |
| 730 | S | 41.2 | Very low | 52.2 | Low | 85 Ų | 85 | 88.4 Ų | 88.4 | 59% | 0.594 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.3 | -23.6 | 177.4 | 28.5 | 0 | 0 | 0 | 0 | 114.3 | S726 L727 A732 | S726-S730 PolarHBondContact O-N 2.97Å; S726-S730 PolarHBondContact O-OG 2.99Å; L727-S730 PolarHBondContact O-OG 2.77Å; S730-A732 VanDerWaalsContact C-N 3.32Å |
| 731 | N | 40.1 | Very low | 49.5 | Very low | 101 Ų | 101 | 95.1 Ų | 95.1 | 54% | 0.54 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.3 | -5.5 | 178.1 | -71 | -56 | 0 | 0 | 0 | 113.8 | L727 S728 A729 | L727-N731 PolarHBondContact O-ND2 3.38Å; S728-N731 PolarHBondContact O-N 2.66Å; A729-N731 PolarHBondContact O-N 2.81Å |
| 732 | A | 37.3 | Very low | 46.9 | Very low | 83 Ų | 83 | 96 Ų | 96 | 69% | 0.686 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 4.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115 | A729 S730 | A729-A732 PolarHBondContact O-N 3.32Å; A729-A732 VanDerWaalsContact O-N 3.16Å; S730-A732 VanDerWaalsContact C-N 3.32Å |
| 733 | L | 35.3 | Very low | 44.7 | Very low | 160 Ų | 160 | 96.1 Ų | 96.1 | 84% | 0.838 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -120.5 | 4.1 | -175 | -79.8 | 171.6 | 0 | 0 | 0 | 115.2 | ||
| 734 | Q | 32.8 | Very low | 42.6 | Very low | 172 Ų | 172 | 101.8 Ų | 101.8 | 80% | 0.804 | 61% | 0.605 | S | S | * | * | trans | -138.7 | 99.5 | 172.3 | -74.6 | -175.9 | -20.6 | 0 | 0 | 110.5 | ||||
| 735 | S | 29 | Very low | 40.6 | Very low | 110 Ų | 110 | 108 Ų | 108 | 77% | 0.769 | 63% | 0.631 | S | S | * | * | trans | -140.1 | 66 | 170.6 | 65.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 736 | D | 29.9 | Very low | 39.5 | Very low | 162 Ų | 162 | 106.1 Ų | 106.1 | 87% | 0.866 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -164.4 | 57.1 | 163.1 | -95.8 | -26.7 | 0 | 0 | 0 | 108.9 | ||
| 737 | D | 33.4 | Very low | 39.4 | Very low | 160 Ų | 160 | 106.2 Ų | 106.2 | 86% | 0.856 | 62% | 0.62 | S | S | * | * | trans | -157.6 | 134.1 | 156.2 | -121.2 | -28.8 | 0 | 0 | 0 | 111.2 | ||||
| 738 | I | 33.3 | Very low | 39.6 | Very low | 144 Ų | 144 | 108.1 Ų | 108.1 | 74% | 0.738 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -107.2 | 135.2 | 179 | -62 | 172.4 | 0 | 0 | 0 | 107.3 | ||
| 739 | N | 31.1 | Very low | 40.7 | Very low | 156 Ų | 156 | 105.2 Ų | 105.2 | 83% | 0.834 | 61% | 0.609 | S | S | * | * | trans | 87.4 | 52.1 | -175.6 | -44.2 | -59.1 | 0 | 0 | 0 | 116.7 | ||||
| 740 | S | 29.3 | Very low | 42.1 | Very low | 92 Ų | 92 | 106.5 Ų | 106.5 | 64% | 0.643 | 61% | 0.607 | S | S | * | * | trans | -119.5 | 95 | 158.6 | -177.5 | 0 | 0 | 0 | 0 | 110.7 | D742 | S740-D742 PolarHBondContact O-N 2.61Š| ||
| 741 | T | 32.6 | Very low | 43.6 | Very low | 141 Ų | 141 | 107.7 Ų | 107.7 | 87% | 0.865 | 61% | 0.607 | S | S | * | * | trans | -95.4 | 67.4 | 177 | 51.4 | 0 | 0 | 0 | 0 | 111 | P743 | T741-P743 WeakPolarHBondContact O-CD 3.42Š| ||
| 742 | D | 35 | Very low | 45.3 | Very low | 84 Ų | 84 | 104.3 Ų | 104.3 | 45% | 0.449 | 59% | 0.588 | S | S | . | * | trans | -97.6 | 110.3 | 175.1 | -166.3 | -25 | 0 | 0 | 0 | 110.7 | S740 N744 | S740-D742 PolarHBondContact O-N 2.61Å; D742-N744 PolarHBondContact O-N 3.02Å; D742-N744 WeakPolarHBondContact OD1-CB 3.41Å; D742-N744 PolarHBondContact OD1-N 3.1Å; D742-N744 VanDerWaalsContact OD1-N 3.13Å; D742-N744 PolarHBondContact OD1-ND2 3.24Å | ||
| 743 | P | 41.3 | Very low | 47.4 | Very low | 109 Ų | 109 | 101.9 Ų | 101.9 | 71% | 0.708 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -5.1 | -175.4 | 31.1 | -35.9 | 0 | 0 | 0 | 114 | T741 K745 | T741-P743 WeakPolarHBondContact O-CD 3.42Å; P743-K745 PolarHBondContact O-N 3.14Å |
| 744 | N | 40.3 | Very low | 49.8 | Very low | 120 Ų | 120 | 94.4 Ų | 94.4 | 64% | 0.642 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | 5.4 | -171.8 | -63.3 | -68.5 | 0 | 0 | 0 | 115.1 | D742 A746 | D742-N744 PolarHBondContact O-N 3.02Å; D742-N744 WeakPolarHBondContact OD1-CB 3.41Å; D742-N744 PolarHBondContact OD1-N 3.1Å; D742-N744 VanDerWaalsContact OD1-N 3.13Å; D742-N744 PolarHBondContact OD1-ND2 3.24Å; N744-A746 PolarHBondContact O-N 3.08Å |
| 745 | K | 42.9 | Very low | 52.5 | Low | 130 Ų | 130 | 89 Ų | 89 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 21.2 | -175 | -70.9 | -174.8 | 174.1 | 179.9 | 0 | 116.2 | P743 | P743-K745 PolarHBondContact O-N 3.14Š|
| 746 | A | 51.5 | Low | 55.4 | Low | 14 Ų | 14 | 84.6 Ų | 84.6 | 12% | 0.116 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 18.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N744 L748 Y967 | N744-A746 PolarHBondContact O-N 3.08Å; A746-L748 PolarHBondContact O-N 2.86Å; A746-Y967 HydrophobicContact CB-CE1 4.33Å |
| 747 | S | 59.3 | Low | 58.3 | Low | 61 Ų | 61 | 77.9 Ų | 77.9 | 43% | 0.427 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -47 | -63.8 | -161.8 | 114.7 | 0 | 0 | 0 | 0 | 114.3 | L749 N750 D751 | S747-L749 VanDerWaalsContact C-N 3.28Å; S747-L749 PolarHBondContact O-N 2.88Å; S747-N750 CarbonylContact O-C 3.53Å; S747-N750 WeakPolarHBondContact O-CA 3.43Å; S747-N750 PolarHBondContact O-N 2.93Å; S747-D751 VanDerWaalsContact C-CG 3.47Å; S747-D751 WeakPolarHBondContact CB-OD2 3.47Å; S747-D751 WeakPolarHBondContact O-CB 3.36Å; S747-D751 PolarHBondContact O-N 2.99Å; S747-D751 VanDerWaalsContact O-OD2 3.12Å; S747-D751 PolarHBondContact OG-OD2 3.2Å |
| 748 | L | 64.7 | Low | 61.1 | Low | 59 Ų | 59 | 74.3 Ų | 74.3 | 31% | 0.309 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -54.4 | -36.6 | -165 | -161.2 | 82.8 | 0 | 0 | 0 | 114.9 | L718 A723 L727 A746 D751 L752 | L718-L748 HydrophobicContact CD1-CD2 4.35Å; A723-L748 HydrophobicContact CB-CD2 4.21Å; L727-L748 HydrophobicContact CD1-CB 3.64Å; A746-L748 PolarHBondContact O-N 2.86Å; L748-D751 PolarHBondContact N-OD2 2.98Å; L748-L752 WeakPolarHBondContact O-CB 3.3Å; L748-L752 WeakPolarHBondContact O-CG 3.45Å; L748-L752 PolarHBondContact O-N 3.07Å |
| 749 | L | 71.6 | Confident | 64 | Low | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -78 | -35.2 | 177.4 | -68.9 | -178.3 | 0 | 0 | 0 | 112.5 | A723 L724 S747 L752 G753 L754 I759 I787 Y967 | A723-L749 HydrophobicContact CB-CD2 4.17Å; L724-L749 HydrophobicContact CD2-CD1 3.76Å; S747-L749 VanDerWaalsContact C-N 3.28Å; S747-L749 PolarHBondContact O-N 2.88Å; L749-L752 CarbonylContact O-C 3.55Å; L749-L752 PolarHBondContact O-N 3.21Å; L749-G753 PolarHBondContact O-N 3.35Å; L749-L754 PolarHBondContact O-N 3.23Å; L749-I759 HydrophobicContact CD1-CD1 3.87Å; L749-I759 HydrophobicContact CD2-CD1 3.99Å; L749-I759 HydrophobicContact CG-CD1 4.47Å; L749-I787 HydrophobicContact CD2-CD1 4.35Å; L749-Y967 HydrophobicContact CD1-CD1 4.42Å; L749-Y967 HydrophobicContact CD1-CE1 4.23Å |
| 750 | N | 71.2 | Confident | 67.1 | Low | 93 Ų | 93 | 60.1 Ų | 60.1 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.2 | -38.2 | 174.9 | -69.9 | -9 | 0 | 0 | 0 | 112.1 | S747 L752 G753 | S747-N750 CarbonylContact O-C 3.53Å; S747-N750 WeakPolarHBondContact O-CA 3.43Å; S747-N750 PolarHBondContact O-N 2.93Å; N750-L752 PolarHBondContact O-N 3.01Å; N750-G753 WeakPolarHBondContact O-CA 3.32Å; N750-G753 PolarHBondContact O-N 3.16Å |
| 751 | D | 72.9 | Confident | 70.2 | Confident | 110 Ų | 110 | 58.4 Ų | 58.4 | 59% | 0.588 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.2 | -30.3 | 174.2 | -60.6 | -29.6 | 0 | 0 | 0 | 111.2 | S747 L748 | S747-D751 VanDerWaalsContact C-CG 3.47Å; S747-D751 WeakPolarHBondContact CB-OD2 3.47Å; S747-D751 WeakPolarHBondContact O-CB 3.36Å; S747-D751 PolarHBondContact O-N 2.99Å; S747-D751 VanDerWaalsContact O-OD2 3.12Å; S747-D751 PolarHBondContact OG-OD2 3.2Å; L748-D751 PolarHBondContact N-OD2 2.98Å |
| 752 | L | 76.9 | Confident | 73.2 | Confident | 30 Ų | 30 | 52.9 Ų | 52.9 | 16% | 0.157 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 1.7 | 171.8 | -67.1 | -175 | 0 | 0 | 0 | 114 | L748 L749 N750 L754 I787 L789 A805 | L748-L752 WeakPolarHBondContact O-CB 3.3Å; L748-L752 WeakPolarHBondContact O-CG 3.45Å; L748-L752 PolarHBondContact O-N 3.07Å; L749-L752 CarbonylContact O-C 3.55Å; L749-L752 PolarHBondContact O-N 3.21Å; N750-L752 PolarHBondContact O-N 3.01Å; L752-L754 VanDerWaalsContact C-N 3.26Å; L752-L754 PolarHBondContact O-N 3.44Å; L752-I787 HydrophobicContact CD1-CG2 4.32Å; L752-L789 HydrophobicContact CD1-CD2 4.22Å; L752-L789 HydrophobicContact CD2-CD1 4.38Å; L752-L789 HydrophobicContact CD2-CD2 3.46Å; L752-L789 VanDerWaalsContact CD2-CD2 3.46Å; L752-L789 HydrophobicContact CG-CD2 4.38Å; L752-A805 HydrophobicContact CB-CB 3.96Å; L752-A805 VanDerWaalsContact O-CB 3.27Å; L752-A805 WeakPolarHBondContact O-CB 3.36Å |
| 753 | G | 82 | Confident | 76.1 | Confident | 32 Ų | 32 | 49 Ų | 49 | 33% | 0.33 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 20.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L749 N750 Q758 | L749-G753 PolarHBondContact O-N 3.35Å; N750-G753 WeakPolarHBondContact O-CA 3.32Å; N750-G753 PolarHBondContact O-N 3.16Å; G753-Q758 PolarHBondContact O-OE1 3.44Å |
| 754 | L | 85.7 | Confident | 78.7 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | trans | -111.8 | 109.5 | -176.3 | -81.3 | 173.1 | 0 | 0 | 0 | 111.7 | L749 L752 I759 Q762 I787 A805 V807 | L749-L754 PolarHBondContact O-N 3.23Å; L752-L754 VanDerWaalsContact C-N 3.26Å; L752-L754 PolarHBondContact O-N 3.44Å; L754-I759 HydrophobicContact CB-CD1 4.25Å; L754-I759 HydrophobicContact CB-CG1 4.13Å; L754-Q762 VanDerWaalsContact CD2-NE2 3.28Å; L754-I787 HydrophobicContact CD1-CG2 4.16Å; L754-A805 HydrophobicContact CD1-CB 3.54Å; L754-A805 HydrophobicContact CG-CB 3.96Å; L754-V807 HydrophobicContact CD1-CG2 4.18Å | ||
| 755 | T | 88.5 | Confident | 81.4 | Confident | 59 Ų | 59 | 40.7 Ų | 40.7 | 36% | 0.362 | 22% | 0.223 | S | C | . | . | trans | -75.1 | 153.4 | 173.5 | 78.5 | 0 | 0 | 0 | 0 | 111.7 | V757 Q758 I759 | T755-V757 PolarHBondContact O-N 3.31Å; T755-Q758 WeakPolarHBondContact O-CB 3.29Å; T755-Q758 PolarHBondContact O-N 2.85Å; T755-Q758 VanDerWaalsContact OG1-CG 3.31Å; T755-Q758 WeakPolarHBondContact OG1-CG 3.27Å; T755-Q758 PolarHBondContact OG1-N 3.31Å; T755-I759 WeakPolarHBondContact O-CG1 3.43Å; T755-I759 PolarHBondContact O-N 3.48Å | ||
| 756 | P | 90.1 | Very high | 83.9 | Confident | 17 Ų | 17 | 34.5 Ų | 34.5 | 11% | 0.11 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -50.2 | -41.6 | 173.6 | -31.6 | 37.6 | 0 | 0 | 0 | 113.9 | I759 I760 V964 L965 Y967 | P756-I759 PolarHBondContact O-N 3.04Å; P756-I760 WeakPolarHBondContact O-CG1 3.27Å; P756-I760 PolarHBondContact O-N 2.99Å; P756-I760 VanDerWaalsContact O-N 3.13Å; P756-V964 HydrophobicContact CB-CG1 3.79Å; P756-V964 WeakPolarHBondContact O-CG1 3.49Å; P756-L965 HydrophobicContact CB-CD2 3.83Å; P756-Y967 HydrophobicContact CG-CE1 4.31Å; P756-Y967 HydrophobicContact CG-CE2 4.49Å; P756-Y967 WeakPolarHBondContact CG-OH 3.25Å |
| 757 | V | 91.7 | Very high | 86.1 | Confident | 21 Ų | 21 | 33.8 Ų | 33.8 | 13% | 0.127 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.6 | -40.1 | 177.9 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | T755 I760 H761 L1089 F1090 | T755-V757 PolarHBondContact O-N 3.31Å; V757-I760 PolarHBondContact O-N 3.31Å; V757-H761 WeakPolarHBondContact O-CB 3.26Å; V757-H761 PolarHBondContact O-N 3.17Å; V757-L1089 HydrophobicContact CG1-CG 4.17Å; V757-L1089 VanDerWaalsContact CG1-O 3.24Å; V757-L1089 WeakPolarHBondContact CG1-O 3.21Å; V757-L1089 HydrophobicContact CG2-CD1 4.24Å; V757-L1089 HydrophobicContact CG2-CG 4.48Å; V757-F1090 HydrophobicContact CG1-CD1 3.91Å; V757-F1090 HydrophobicContact CG1-CE1 4.25Å |
| 758 | Q | 91.9 | Very high | 87.8 | Confident | 86 Ų | 86 | 31.3 Ų | 31.3 | 40% | 0.402 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -65.4 | -39.1 | 175.3 | -72.9 | 168.3 | -11.8 | 0 | 0 | 112.2 | G753 T755 I760 H761 Q762 | G753-Q758 PolarHBondContact O-OE1 3.44Å; T755-Q758 WeakPolarHBondContact O-CB 3.29Å; T755-Q758 PolarHBondContact O-N 2.85Å; T755-Q758 VanDerWaalsContact OG1-CG 3.31Å; T755-Q758 WeakPolarHBondContact OG1-CG 3.27Å; T755-Q758 PolarHBondContact OG1-N 3.31Å; Q758-I760 VanDerWaalsContact C-N 3.34Å; Q758-H761 PolarHBondContact O-N 3.49Å; Q758-Q762 WeakPolarHBondContact O-CB 3.44Å; Q758-Q762 WeakPolarHBondContact O-CG 3.18Å; Q758-Q762 PolarHBondContact O-N 3.38Å; Q758-Q762 PolarHBondContact O-NE2 3.17Å |
| 759 | I | 93.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.4 | -46 | 176 | -68.4 | 166.9 | 0 | 0 | 0 | 110.1 | L720 L749 L754 T755 P756 Q762 F763 V807 V964 | L720-I759 HydrophobicContact CD1-CG2 4.31Å; L720-I759 HydrophobicContact CD2-CG2 4.48Å; L749-I759 HydrophobicContact CD1-CD1 3.87Å; L749-I759 HydrophobicContact CD2-CD1 3.99Å; L749-I759 HydrophobicContact CG-CD1 4.47Å; L754-I759 HydrophobicContact CB-CD1 4.25Å; L754-I759 HydrophobicContact CB-CG1 4.13Å; T755-I759 WeakPolarHBondContact O-CG1 3.43Å; T755-I759 PolarHBondContact O-N 3.48Å; P756-I759 PolarHBondContact O-N 3.04Å; I759-Q762 PolarHBondContact O-N 2.95Å; I759-F763 HydrophobicContact CG2-CD1 4.4Å; I759-F763 VanDerWaalsContact O-CD1 3.24Å; I759-F763 WeakPolarHBondContact O-CD1 3.1Å; I759-F763 PolarHBondContact O-N 2.69Å; I759-V807 HydrophobicContact CB-CG2 4.33Å; I759-V807 HydrophobicContact CG1-CG2 4.03Å; I759-V807 HydrophobicContact CG2-CG2 4.2Å; I759-V964 HydrophobicContact CB-CG1 4.14Å; I759-V964 HydrophobicContact CD1-CG1 4.47Å; I759-V964 HydrophobicContact CG2-CG1 4.03Å; I759-V964 HydrophobicContact CG2-CG2 3.87Å |
| 760 | I | 95.5 | Very high | 90.2 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.9 | -49.2 | 177.9 | -66.2 | 164.3 | 0 | 0 | 0 | 111 | P756 V757 Q758 Q762 F763 I764 A961 V964 L965 F1090 | P756-I760 WeakPolarHBondContact O-CG1 3.27Å; P756-I760 PolarHBondContact O-N 2.99Å; P756-I760 VanDerWaalsContact O-N 3.13Å; V757-I760 PolarHBondContact O-N 3.31Å; Q758-I760 VanDerWaalsContact C-N 3.34Å; I760-Q762 VanDerWaalsContact C-N 3.3Å; I760-Q762 PolarHBondContact O-N 2.96Å; I760-F763 HydrophobicContact CB-CE1 4.22Å; I760-F763 HydrophobicContact CB-CZ 4.32Å; I760-F763 HydrophobicContact CG1-CE1 3.93Å; I760-F763 HydrophobicContact CG1-CZ 4.13Å; I760-F763 HydrophobicContact CG2-CZ 4.16Å; I760-F763 PolarHBondContact O-N 3.37Å; I760-I764 HydrophobicContact CG2-CD1 3.72Å; I760-I764 HydrophobicContact CG2-CG1 4.34Å; I760-I764 WeakPolarHBondContact O-CB 2.92Å; I760-I764 WeakPolarHBondContact O-CG1 3.01Å; I760-I764 PolarHBondContact O-N 2.91Å; I760-A961 HydrophobicContact CD1-CB 3.79Å; I760-A961 HydrophobicContact CG1-CB 4.01Å; I760-A961 HydrophobicContact CG2-CB 4.12Å; I760-V964 HydrophobicContact CD1-CB 4.34Å; I760-V964 HydrophobicContact CD1-CG1 4.15Å; I760-V964 HydrophobicContact CG1-CB 4.23Å; I760-V964 HydrophobicContact CG1-CG1 4.04Å; I760-L965 HydrophobicContact CD1-CD1 3.91Å; I760-L965 HydrophobicContact CD1-CD2 4.38Å; I760-L965 HydrophobicContact CD1-CG 3.79Å; I760-F1090 HydrophobicContact CB-CE1 4.25Å; I760-F1090 HydrophobicContact CG2-CE1 3.81Å; I760-F1090 HydrophobicContact CG2-CZ 3.77Å |
| 761 | H | 95.6 | Very high | 91.3 | Very high | 55 Ų | 55 | 26.4 Ų | 26.4 | 26% | 0.255 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -57.4 | -44.1 | 179.3 | -168.1 | -166.5 | 0 | 0 | 0 | 111.7 | V757 Q758 I764 L765 F1090 | V757-H761 WeakPolarHBondContact O-CB 3.26Å; V757-H761 PolarHBondContact O-N 3.17Å; Q758-H761 PolarHBondContact O-N 3.49Å; H761-I764 PolarHBondContact O-N 2.86Å; H761-L765 WeakPolarHBondContact O-CB 3.39Å; H761-L765 VanDerWaalsContact O-CG 3.27Å; H761-L765 WeakPolarHBondContact O-CG 3.16Å; H761-L765 PolarHBondContact O-N 3.16Å; H761-F1090 HydrophobicContact CB-CD1 3.57Å; H761-F1090 HydrophobicContact CB-CE1 4Å; H761-F1090 HydrophobicContact CB-CG 4.13Å; H761-F1090 AromaticContact CD2-CG 3.93Å; H761-F1090 AromaticContact CG-CD1 3.86Å; H761-F1090 AromaticContact CG-CG 3.9Å |
| 762 | Q | 95.1 | Very high | 92.2 | Very high | 26 Ų | 26 | 29.7 Ų | 29.7 | 12% | 0.121 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.7 | -44.2 | -178.6 | -72.9 | 176.5 | 61.4 | 0 | 0 | 113 | H695 L754 Q758 I759 I760 A766 V807 | H695-Q762 VanDerWaalsContact CB-O 3.24Å; H695-Q762 WeakPolarHBondContact CB-O 3.43Å; H695-Q762 VanDerWaalsContact CE1-CG 3.41Å; H695-Q762 WeakPolarHBondContact CE1-CG 3.37Å; H695-Q762 PolarHBondContact CE1-OE1 3.26Å; H695-Q762 PolarHBondContact ND1-OE1 3.01Å; L754-Q762 VanDerWaalsContact CD2-NE2 3.28Å; Q758-Q762 WeakPolarHBondContact O-CB 3.44Å; Q758-Q762 WeakPolarHBondContact O-CG 3.18Å; Q758-Q762 PolarHBondContact O-N 3.38Å; Q758-Q762 PolarHBondContact O-NE2 3.17Å; I759-Q762 PolarHBondContact O-N 2.95Å; I760-Q762 VanDerWaalsContact C-N 3.3Å; I760-Q762 PolarHBondContact O-N 2.96Å; Q762-A766 PolarHBondContact O-N 2.86Å; Q762-V807 HydrophobicContact CB-CB 4.02Å |
| 763 | F | 95.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -72.5 | -31.7 | 176.4 | 75.6 | -118.9 | 0 | 0 | 0 | 112.6 | I759 I760 A766 V767 I785 V809 C957 L960 A961 V964 | I759-F763 HydrophobicContact CG2-CD1 4.4Å; I759-F763 VanDerWaalsContact O-CD1 3.24Å; I759-F763 WeakPolarHBondContact O-CD1 3.1Å; I759-F763 PolarHBondContact O-N 2.69Å; I760-F763 HydrophobicContact CB-CE1 4.22Å; I760-F763 HydrophobicContact CB-CZ 4.32Å; I760-F763 HydrophobicContact CG1-CE1 3.93Å; I760-F763 HydrophobicContact CG1-CZ 4.13Å; I760-F763 HydrophobicContact CG2-CZ 4.16Å; I760-F763 PolarHBondContact O-N 3.37Å; F763-A766 WeakPolarHBondContact O-CB 3.28Å; F763-A766 PolarHBondContact O-N 3.43Å; F763-V767 WeakPolarHBondContact O-CG2 3.03Å; F763-V767 PolarHBondContact O-N 3.46Å; F763-I785 HydrophobicContact CB-CD1 4.17Å; F763-V809 HydrophobicContact CB-CG2 4.06Å; F763-C957 HydrophobicContact CE2-CB 3.87Å; F763-L960 HydrophobicContact CE1-CB 4.05Å; F763-L960 HydrophobicContact CE2-CB 4.23Å; F763-L960 HydrophobicContact CZ-CB 3.63Å; F763-A961 HydrophobicContact CZ-CB 4.37Å; F763-V964 HydrophobicContact CE1-CG2 4.49Å |
| 764 | I | 97 | Very high | 93.4 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.1 | -38.5 | 175.7 | -67.8 | -176.2 | 0 | 0 | 0 | 111.3 | I760 H761 A766 V767 A768 M1070 I1084 T1085 F1090 | I760-I764 HydrophobicContact CG2-CD1 3.72Å; I760-I764 HydrophobicContact CG2-CG1 4.34Å; I760-I764 WeakPolarHBondContact O-CB 2.92Å; I760-I764 WeakPolarHBondContact O-CG1 3.01Å; I760-I764 PolarHBondContact O-N 2.91Å; H761-I764 PolarHBondContact O-N 2.86Å; I764-A766 VanDerWaalsContact C-N 3.25Å; I764-A766 PolarHBondContact O-N 2.89Å; I764-V767 PolarHBondContact O-N 3.5Å; I764-A768 VanDerWaalsContact O-CB 3.32Å; I764-A768 WeakPolarHBondContact O-CB 2.94Å; I764-A768 PolarHBondContact O-N 3.25Å; I764-M1070 HydrophobicContact CD1-CE 4.05Å; I764-I1084 HydrophobicContact CD1-CG2 3.63Å; I764-I1084 HydrophobicContact CG2-CB 4.03Å; I764-I1084 HydrophobicContact CG2-CG2 3.98Å; I764-T1085 HydrophobicContact CG2-CG2 4.32Å; I764-F1090 HydrophobicContact CD1-CZ 4.33Å |
| 765 | L | 96.2 | Very high | 93.6 | Very high | 53 Ų | 53 | 34.9 Ų | 34.9 | 28% | 0.277 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58.7 | -37.8 | 170.6 | -72.9 | 165.8 | 0 | 0 | 0 | 111.9 | H693 H761 C769 T1085 | H693-L765 PolarHBondContact CE1-O 3.22Å; H761-L765 WeakPolarHBondContact O-CB 3.39Å; H761-L765 VanDerWaalsContact O-CG 3.27Å; H761-L765 WeakPolarHBondContact O-CG 3.16Å; H761-L765 PolarHBondContact O-N 3.16Å; L765-C769 WeakPolarHBondContact O-CB 3.2Å; L765-C769 PolarHBondContact O-N 3.18Å; L765-C769 VanDerWaalsContact O-N 3.07Å; L765-T1085 HydrophobicContact CD2-CG2 3.85Å |
| 766 | A | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.4 | -46.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | H695 L696 Q762 F763 I764 C769 L770 V809 | H695-A766 HydrophobicContact CB-CB 3.82Å; H695-A766 WeakPolarHBondContact O-CB 3.23Å; L696-A766 HydrophobicContact CD2-CB 3.89Å; L696-A766 HydrophobicContact CG-CB 4.41Å; Q762-A766 PolarHBondContact O-N 2.86Å; F763-A766 WeakPolarHBondContact O-CB 3.28Å; F763-A766 PolarHBondContact O-N 3.43Å; I764-A766 VanDerWaalsContact C-N 3.25Å; I764-A766 PolarHBondContact O-N 2.89Å; A766-C769 WeakPolarHBondContact O-CB 3.29Å; A766-C769 PolarHBondContact O-N 3.21Å; A766-L770 WeakPolarHBondContact O-CG 3.34Å; A766-L770 PolarHBondContact O-N 3.46Å; A766-L770 VanDerWaalsContact O-N 3.07Å; A766-V809 HydrophobicContact CB-CB 4.26Å; A766-V809 HydrophobicContact CB-CG2 3.55Å |
| 767 | V | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.9 | -37.4 | 179.9 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | F763 I764 C769 L770 H771 L780 D953 A1081 | F763-V767 WeakPolarHBondContact O-CG2 3.03Å; F763-V767 PolarHBondContact O-N 3.46Å; I764-V767 PolarHBondContact O-N 3.5Å; V767-C769 VanDerWaalsContact C-N 3.31Å; V767-C769 PolarHBondContact O-N 3Å; V767-L770 PolarHBondContact O-N 3.24Å; V767-L770 VanDerWaalsContact O-N 3.15Å; V767-H771 WeakPolarHBondContact CG1-CE1 3.44Å; V767-H771 WeakPolarHBondContact CG1-NE2 3.39Å; V767-H771 WeakPolarHBondContact O-CB 3.43Å; V767-H771 PolarHBondContact O-N 3.44Å; V767-L780 HydrophobicContact CG1-CD1 4.44Å; V767-L780 HydrophobicContact CG2-CD1 3.68Å; V767-L780 HydrophobicContact CG2-CD2 4.18Å; V767-D953 HydrophobicContact CG1-CB 4.15Å; V767-A1081 HydrophobicContact CB-CB 4.48Å; V767-A1081 HydrophobicContact CG1-CB 3.99Å |
| 768 | A | 95.2 | Very high | 93.8 | Very high | 8 Ų | 8 | 31.1 Ų | 31.1 | 7% | 0.066 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.5 | -40.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111.8 | I764 L770 H771 R772 A1081 T1085 | I764-A768 VanDerWaalsContact O-CB 3.32Å; I764-A768 WeakPolarHBondContact O-CB 2.94Å; I764-A768 PolarHBondContact O-N 3.25Å; A768-L770 PolarHBondContact O-N 3Å; A768-H771 PolarHBondContact O-N 2.97Å; A768-R772 WeakPolarHBondContact O-CB 3.36Å; A768-R772 PolarHBondContact O-N 3.24Å; A768-A1081 HydrophobicContact CB-CB 3.91Å; A768-T1085 HydrophobicContact CB-CG2 4.12Å |
| 769 | C | 94 | Very high | 93.8 | Very high | 29 Ų | 29 | 27.5 Ų | 27.5 | 20% | 0.196 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.9 | -40.8 | 173.6 | -170.9 | 0 | 0 | 0 | 0 | 112.1 | L765 A766 V767 N773 | L765-C769 WeakPolarHBondContact O-CB 3.2Å; L765-C769 PolarHBondContact O-N 3.18Å; L765-C769 VanDerWaalsContact O-N 3.07Å; A766-C769 WeakPolarHBondContact O-CB 3.29Å; A766-C769 PolarHBondContact O-N 3.21Å; V767-C769 VanDerWaalsContact C-N 3.31Å; V767-C769 PolarHBondContact O-N 3Å; C769-N773 PolarHBondContact O-N 2.86Å; C769-N773 PolarHBondContact O-ND2 3.07Å |
| 770 | L | 93.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.1 | -49.4 | 176.2 | -64.8 | 168.4 | 0 | 0 | 0 | 111.9 | L696 A766 V767 A768 R772 N773 Q774 I775 H777 F812 | L696-L770 HydrophobicContact CD1-CD2 4.06Å; L696-L770 HydrophobicContact CD1-CG 4.47Å; L696-L770 HydrophobicContact CD2-CD1 3.91Å; L696-L770 HydrophobicContact CD2-CD2 4.02Å; L696-L770 HydrophobicContact CD2-CG 3.92Å; A766-L770 WeakPolarHBondContact O-CG 3.34Å; A766-L770 PolarHBondContact O-N 3.46Å; A766-L770 VanDerWaalsContact O-N 3.07Å; V767-L770 PolarHBondContact O-N 3.24Å; V767-L770 VanDerWaalsContact O-N 3.15Å; A768-L770 PolarHBondContact O-N 3Å; L770-R772 VanDerWaalsContact C-N 3.33Å; L770-R772 PolarHBondContact O-N 3.3Å; L770-N773 CarbonylContact O-C 3.39Å; L770-N773 WeakPolarHBondContact O-CA 3.26Å; L770-N773 PolarHBondContact O-N 2.87Å; L770-Q774 PolarHBondContact O-N 2.85Å; L770-I775 CarbonylContact C-O 3.57Å; L770-I775 HydrophobicContact CB-CB 4.34Å; L770-I775 WeakPolarHBondContact CB-O 3.46Å; L770-I775 HydrophobicContact CD2-CB 4.43Å; L770-I775 HydrophobicContact CD2-CG2 4.14Å; L770-I775 PolarHBondContact O-N 3.46Å; L770-H777 HydrophobicContact CD1-CB 4.45Å; L770-F812 HydrophobicContact CD1-CE1 3.72Å; L770-F812 HydrophobicContact CD1-CZ 4.29Å; L770-F812 HydrophobicContact CD2-CE1 3.73Å; L770-F812 HydrophobicContact CD2-CZ 4.46Å; L770-F812 HydrophobicContact CG-CE1 4.38Å |
| 771 | H | 94.6 | Very high | 93.7 | Very high | 20 Ų | 20 | 29 Ų | 29 | 9% | 0.093 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62 | -38.9 | -179.9 | -68.7 | -178.5 | 0 | 0 | 0 | 112 | V767 A768 N773 Q774 I775 C950 D953 A1081 | V767-H771 WeakPolarHBondContact CG1-CE1 3.44Å; V767-H771 WeakPolarHBondContact CG1-NE2 3.39Å; V767-H771 WeakPolarHBondContact O-CB 3.43Å; V767-H771 PolarHBondContact O-N 3.44Å; A768-H771 PolarHBondContact O-N 2.97Å; H771-N773 PolarHBondContact O-N 2.72Å; H771-Q774 WeakPolarHBondContact O-CA 3.37Å; H771-Q774 PolarHBondContact O-N 3.08Å; H771-I775 PolarHBondContact CD2-O 2.96Å; H771-C950 PolarHBondContact CE1-O 3.41Å; H771-C950 VanDerWaalsContact CE1-O 3.23Å; H771-D953 IonicContact CD2-OD2 3.73Å; H771-D953 IonicContact CE1-OD2 3.61Å; H771-D953 WeakPolarHBondContact NE2-CB 3.49Å; H771-D953 IonicContact NE2-OD2 3.58Å; H771-D953 PolarHBondContact NE2-OD2 2.78Å; H771-A1081 WeakPolarHBondContact ND1-CB 3.45Å |
| 772 | R | 91.9 | Very high | 93.6 | Very high | 179 Ų | 179 | 26.6 Ų | 26.6 | 68% | 0.675 | 12% | 0.124 | S | C | * | . | H | α-helix | trans | -65.7 | -21.1 | 173.6 | -174.3 | 170.1 | 176.4 | 133.9 | 1.7 | 113.6 | A768 L770 E1082 | A768-R772 WeakPolarHBondContact O-CB 3.36Å; A768-R772 PolarHBondContact O-N 3.24Å; L770-R772 VanDerWaalsContact C-N 3.33Å; L770-R772 PolarHBondContact O-N 3.3Å; R772-E1082 IonicContact CZ-OE1 3.56Å; R772-E1082 IonicContact NH1-OE1 2.88Å; R772-E1082 PolarHBondContact NH1-OE1 2.85Å |
| 773 | N | 91 | Very high | 93.4 | Very high | 74 Ų | 74 | 27.8 Ų | 27.8 | 40% | 0.396 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 14.2 | 170.2 | -74.8 | -85.8 | 0 | 0 | 0 | 112.8 | H691 C769 L770 H771 I775 | H691-N773 VanDerWaalsContact CE1-CG 3.45Å; H691-N773 PolarHBondContact CE1-OD1 3.3Å; H691-N773 PolarHBondContact ND1-OD1 2.83Å; H691-N773 VanDerWaalsContact ND1-OD1 3.12Å; C769-N773 PolarHBondContact O-N 2.86Å; C769-N773 PolarHBondContact O-ND2 3.07Å; L770-N773 CarbonylContact O-C 3.39Å; L770-N773 WeakPolarHBondContact O-CA 3.26Å; L770-N773 PolarHBondContact O-N 2.87Å; H771-N773 PolarHBondContact O-N 2.72Å; N773-I775 VanDerWaalsContact C-N 3.26Å; N773-I775 HydrophobicContact CB-CD1 4.19Å; N773-I775 PolarHBondContact O-N 2.82Å |
| 774 | Q | 91.5 | Very high | 93.2 | Very high | 95 Ų | 95 | 28.2 Ų | 28.2 | 44% | 0.444 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 31.1 | -176.8 | -60.4 | -73 | 31.8 | 0 | 0 | 114.3 | L770 H771 P817 L818 | L770-Q774 PolarHBondContact O-N 2.85Å; H771-Q774 WeakPolarHBondContact O-CA 3.37Å; H771-Q774 PolarHBondContact O-N 3.08Å; Q774-P817 CarbonylContact O-C 3.6Å; Q774-P817 WeakPolarHBondContact O-CA 3.44Å; Q774-L818 HydrophobicContact CB-CB 4.36Å; Q774-L818 PolarHBondContact O-N 3.06Å |
| 775 | I | 91 | Very high | 93.1 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 123.6 | 177.5 | -65.7 | 160.6 | 0 | 0 | 0 | 109.7 | I687 L770 H771 N773 P817 | I687-I775 HydrophobicContact CD1-CG2 4.05Å; I687-I775 HydrophobicContact CG1-CD1 4.12Å; I687-I775 HydrophobicContact CG2-CD1 4.2Å; L770-I775 CarbonylContact C-O 3.57Å; L770-I775 HydrophobicContact CB-CB 4.34Å; L770-I775 WeakPolarHBondContact CB-O 3.46Å; L770-I775 HydrophobicContact CD2-CB 4.43Å; L770-I775 HydrophobicContact CD2-CG2 4.14Å; L770-I775 PolarHBondContact O-N 3.46Å; H771-I775 PolarHBondContact CD2-O 2.96Å; N773-I775 VanDerWaalsContact C-N 3.26Å; N773-I775 HydrophobicContact CB-CD1 4.19Å; N773-I775 PolarHBondContact O-N 2.82Å; I775-P817 HydrophobicContact CG1-CB 4.33Å |
| 776 | V | 90.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 131.9 | 171.6 | -166.3 | 0 | 0 | 0 | 0 | 108.8 | R778 S815 R816 L818 I952 D953 | V776-R778 HydrophobicContact CB-CG 4.21Å; V776-R778 HydrophobicContact CG1-CG 3.93Å; V776-S815 CarbonylContact O-C 3.58Å; V776-S815 VanDerWaalsContact O-CA 3.22Å; V776-S815 WeakPolarHBondContact O-CA 3.25Å; V776-S815 WeakPolarHBondContact O-CB 3.36Å; V776-R816 PolarHBondContact N-O 2.78Å; V776-R816 PolarHBondContact O-N 2.85Å; V776-L818 HydrophobicContact CG2-CD1 3.92Å; V776-L818 HydrophobicContact CG2-CD2 3.84Å; V776-L818 HydrophobicContact CG2-CG 3.87Å; V776-I952 HydrophobicContact CG1-CD1 3.78Å; V776-I952 HydrophobicContact CG1-CG1 3.74Å; V776-D953 WeakPolarHBondContact CA-OD2 3.32Å; V776-D953 VanDerWaalsContact CG1-OD2 3.27Å; V776-D953 WeakPolarHBondContact CG1-OD2 3.27Å |
| 777 | H | 92.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -76.9 | -44.6 | -173.6 | -172.1 | -59.1 | 0 | 0 | 0 | 112.2 | L770 D779 L780 N784 V809 G810 D811 F812 L814 S815 D953 | L770-H777 HydrophobicContact CD1-CB 4.45Å; H777-D779 PolarHBondContact CE1-O 3.08Å; H777-D779 PolarHBondContact ND1-N 3.17Å; H777-D779 PolarHBondContact O-N 3.39Å; H777-L780 HydrophobicContact CB-CD1 4.29Å; H777-L780 HydrophobicContact CB-CD2 3.99Å; H777-L780 HydrophobicContact CB-CG 3.88Å; H777-N784 PolarHBondContact CE1-ND2 2.81Å; H777-V809 VanDerWaalsContact NE2-CG1 3.32Å; H777-V809 WeakPolarHBondContact NE2-CG1 3.46Å; H777-G810 PolarHBondContact CE1-O 2.65Å; H777-G810 VanDerWaalsContact CE1-O 3.27Å; H777-G810 PolarHBondContact NE2-O 3.2Å; H777-D811 PolarHBondContact CE1-O 2.86Å; H777-D811 PolarHBondContact NE2-O 2.77Å; H777-F812 AromaticContact CD2-CE1 3.69Å; H777-F812 AromaticContact NE2-CE1 3.99Å; H777-F812 AromaticContact NE2-CE2 3.93Å; H777-F812 AromaticContact NE2-CZ 3.79Å; H777-L814 CarbonylContact O-C 3.51Å; H777-S815 VanDerWaalsContact O-CA 3.27Å; H777-S815 WeakPolarHBondContact O-CA 3.49Å; H777-S815 PolarHBondContact O-N 3.49Å; H777-S815 PolarHBondContact O-OG 3.29Å; H777-D953 PolarHBondContact N-OD1 3.24Å; H777-D953 PolarHBondContact N-OD2 2.91Å | ||
| 778 | R | 90.5 | Very high | 92.6 | Very high | 19 Ų | 19 | 27.9 Ų | 27.9 | 7% | 0.072 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 68 | 0.8 | 176.4 | -41.1 | -163.8 | -64.5 | 155.3 | 7.2 | 116.6 | V776 L814 F929 G930 I952 D953 | V776-R778 HydrophobicContact CB-CG 4.21Å; V776-R778 HydrophobicContact CG1-CG 3.93Å; R778-L814 PolarHBondContact NE-O 3.2Å; R778-L814 PolarHBondContact NH2-O 3.19Å; R778-F929 VanDerWaalsContact NH1-CG 3.31Å; R778-G930 WeakPolarHBondContact O-CA 3.4Å; R778-I952 HydrophobicContact CB-CD1 4.46Å; R778-I952 HydrophobicContact CG-CD1 4.01Å; R778-D953 PolarHBondContact N-OD1 3Å |
| 779 | D | 91.6 | Very high | 92.2 | Very high | 9 Ų | 9 | 30.2 Ų | 30.2 | 5% | 0.048 | 15% | 0.147 | C | C | . | . | trans | -148.3 | 43.1 | 178.4 | -163.5 | 42.4 | 0 | 0 | 0 | 113 | H777 K781 N784 L814 T931 | H777-D779 PolarHBondContact CE1-O 3.08Å; H777-D779 PolarHBondContact ND1-N 3.17Å; H777-D779 PolarHBondContact O-N 3.39Å; D779-K781 PolarHBondContact O-N 3.39Å; D779-K781 IonicContact OD1-NZ 3.03Å; D779-K781 PolarHBondContact OD1-NZ 3.43Å; D779-K781 WeakPolarHBondContact OD2-CE 3.26Å; D779-K781 IonicContact OD2-NZ 3.4Å; D779-K781 PolarHBondContact OD2-NZ 3.49Å; D779-N784 PolarHBondContact O-ND2 3.13Å; D779-N784 PolarHBondContact OD2-ND2 3.19Å; D779-N784 VanDerWaalsContact OD2-ND2 3.09Å; D779-L814 HydrophobicContact CB-CB 4.25Å; D779-L814 HydrophobicContact CB-CD1 3.92Å; D779-T931 WeakPolarHBondContact OD1-CB 3.42Å; D779-T931 PolarHBondContact OD1-N 2.93Å; D779-T931 VanDerWaalsContact OD1-N 3.14Å; D779-T931 PolarHBondContact OD1-OG1 3.29Å | ||
| 780 | L | 94.1 | Very high | 91.2 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | trans | -73.5 | 112.3 | 175.7 | -66.4 | 172.7 | 0 | 0 | 0 | 110.6 | V767 H777 V809 D953 A956 L960 | V767-L780 HydrophobicContact CG1-CD1 4.44Å; V767-L780 HydrophobicContact CG2-CD1 3.68Å; V767-L780 HydrophobicContact CG2-CD2 4.18Å; H777-L780 HydrophobicContact CB-CD1 4.29Å; H777-L780 HydrophobicContact CB-CD2 3.99Å; H777-L780 HydrophobicContact CB-CG 3.88Å; L780-V809 HydrophobicContact CD2-CG1 3.67Å; L780-D953 HydrophobicContact CD1-CB 3.65Å; L780-A956 HydrophobicContact CB-CB 3.89Å; L780-L960 HydrophobicContact CB-CD1 3.99Å | ||
| 781 | K | 93.2 | Very high | 89.5 | Confident | 32 Ų | 32 | 38.6 Ų | 38.6 | 14% | 0.139 | 19% | 0.19 | C | C | . | . | trans | -155.2 | 162.7 | -177.5 | 73.6 | -154.7 | -174.4 | -161 | 0 | 111.1 | D779 S783 N784 I785 T931 W934 | D779-K781 PolarHBondContact O-N 3.39Å; D779-K781 IonicContact OD1-NZ 3.03Å; D779-K781 PolarHBondContact OD1-NZ 3.43Å; D779-K781 WeakPolarHBondContact OD2-CE 3.26Å; D779-K781 IonicContact OD2-NZ 3.4Å; D779-K781 PolarHBondContact OD2-NZ 3.49Å; K781-S783 WeakPolarHBondContact CE-OG 3.19Å; K781-S783 WeakPolarHBondContact CG-OG 3.36Å; K781-S783 PolarHBondContact O-N 3.48Å; K781-N784 WeakPolarHBondContact CE-ND2 3.39Å; K781-N784 VanDerWaalsContact CE-OD1 3.27Å; K781-N784 WeakPolarHBondContact CE-OD1 3.41Å; K781-N784 HydrophobicContact CG-CB 4.27Å; K781-N784 PolarHBondContact O-N 2.88Å; K781-I785 PolarHBondContact O-N 3.04Å; K781-T931 HydrophobicContact CD-CG2 4.04Å; K781-T931 WeakPolarHBondContact CD-OG1 3.44Å; K781-T931 PolarHBondContact NZ-OG1 3.46Å; K781-W934 HydrophobicContact CB-CD2 4.15Å; K781-W934 HydrophobicContact CB-CG 4.04Å | ||
| 782 | P | 93.4 | Very high | 87.4 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -22.2 | -171.7 | -29.1 | 36.4 | 0 | 0 | 0 | 116.8 | L720 N721 W934 L960 Y963 | L720-P782 PolarHBondContact N-O 3.15Å; N721-P782 HydrophobicContact CB-CB 3.79Å; N721-P782 PolarHBondContact N-O 1.87Å; P782-W934 VanDerWaalsContact CD-CH2 3.4Å; P782-W934 HydrophobicContact CG-CH2 3.36Å; P782-W934 HydrophobicContact CG-CZ2 3.53Å; P782-W934 HydrophobicContact CG-CZ3 4.08Å; P782-L960 HydrophobicContact CG-CD2 3.83Å; P782-Y963 HydrophobicContact CB-CD1 4.16Å; P782-Y963 HydrophobicContact CB-CE1 3.6Å; P782-Y963 HydrophobicContact CG-CD1 3.62Å; P782-Y963 HydrophobicContact CG-CD2 4.44Å; P782-Y963 HydrophobicContact CG-CE1 3.47Å; P782-Y963 VanDerWaalsContact CG-CE1 3.47Å; P782-Y963 HydrophobicContact CG-CE2 4.32Å; P782-Y963 HydrophobicContact CG-CG 4.13Å |
| 783 | S | 89.8 | Confident | 85 | Confident | 50 Ų | 50 | 41.1 Ų | 41.1 | 35% | 0.35 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -25 | 173.3 | 60.5 | 0 | 0 | 0 | 0 | 113.4 | K781 L786 | K781-S783 WeakPolarHBondContact CE-OG 3.19Å; K781-S783 WeakPolarHBondContact CG-OG 3.36Å; K781-S783 PolarHBondContact O-N 3.48Å; S783-L786 WeakPolarHBondContact O-CD2 3.31Å |
| 784 | N | 93.2 | Very high | 82.3 | Confident | 10 Ų | 10 | 45.1 Ų | 45.1 | 5% | 0.053 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -1.9 | -173.6 | -63.1 | 9.8 | 0 | 0 | 0 | 111.6 | H777 D779 K781 G810 | H777-N784 PolarHBondContact CE1-ND2 2.81Å; D779-N784 PolarHBondContact O-ND2 3.13Å; D779-N784 PolarHBondContact OD2-ND2 3.19Å; D779-N784 VanDerWaalsContact OD2-ND2 3.09Å; K781-N784 WeakPolarHBondContact CE-ND2 3.39Å; K781-N784 VanDerWaalsContact CE-OD1 3.27Å; K781-N784 WeakPolarHBondContact CE-OD1 3.41Å; K781-N784 HydrophobicContact CG-CB 4.27Å; K781-N784 PolarHBondContact O-N 2.88Å; N784-G810 PolarHBondContact O-N 3.12Å |
| 785 | I | 95.1 | Very high | 79.7 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 115.6 | 167.9 | -51.9 | -58.2 | 0 | 0 | 0 | 107.2 | L720 F763 K781 V807 V809 L960 | L720-I785 HydrophobicContact CB-CB 3.96Å; L720-I785 HydrophobicContact CB-CG2 4.05Å; L720-I785 WeakPolarHBondContact CB-O 3.45Å; L720-I785 HydrophobicContact CD2-CB 3.99Å; L720-I785 HydrophobicContact CD2-CG1 4.37Å; L720-I785 HydrophobicContact CD2-CG2 3.86Å; L720-I785 PolarHBondContact N-O 2.79Å; F763-I785 HydrophobicContact CB-CD1 4.17Å; K781-I785 PolarHBondContact O-N 3.04Å; I785-V807 HydrophobicContact CG2-CG1 3.32Å; I785-V809 HydrophobicContact CD1-CG1 4.42Å; I785-V809 HydrophobicContact CD1-CG2 3.91Å; I785-L960 HydrophobicContact CD1-CD1 4.13Å; I785-L960 HydrophobicContact CG1-CD1 4.09Å; I785-L960 HydrophobicContact CG1-CD2 4.07Å |
| 786 | L | 94.3 | Very high | 77.1 | Confident | 39 Ų | 39 | 55.5 Ų | 55.5 | 20% | 0.204 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 151.8 | -171.2 | -53.9 | 177.8 | 0 | 0 | 0 | 111.4 | C716 S783 V807 V808 | C716-L786 HydrophobicContact CB-CB 3.8Å; C716-L786 HydrophobicContact CB-CD1 4.08Å; C716-L786 HydrophobicContact CB-CG 4.49Å; S783-L786 WeakPolarHBondContact O-CD2 3.31Å; L786-V807 CarbonylContact O-C 3.6Å; L786-V807 WeakPolarHBondContact O-CA 3.33Å; L786-V808 HydrophobicContact CB-CG2 3.96Å; L786-V808 PolarHBondContact N-O 3.12Å; L786-V808 PolarHBondContact O-N 3.01Å |
| 787 | I | 93 | Very high | 74.3 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 135 | -180 | -55.1 | 176.2 | 0 | 0 | 0 | 109.7 | S717 L718 A723 L749 L752 L754 L789 A805 R806 | S717-I787 PolarHBondContact N-O 3.49Å; L718-I787 HydrophobicContact CD1-CD1 4.41Å; L718-I787 HydrophobicContact CG-CB 4.37Å; L718-I787 HydrophobicContact CG-CD1 4.46Å; L718-I787 PolarHBondContact O-N 2.83Å; A723-I787 HydrophobicContact CB-CD1 4.15Å; L749-I787 HydrophobicContact CD2-CD1 4.35Å; L752-I787 HydrophobicContact CD1-CG2 4.32Å; L754-I787 HydrophobicContact CD1-CG2 4.16Å; I787-L789 HydrophobicContact CG2-CD2 4.28Å; I787-A805 HydrophobicContact CG2-CB 4.08Å; I787-R806 WeakPolarHBondContact CA-O 3.34Å |
| 788 | I | 90.4 | Very high | 71.4 | Confident | 8 Ų | 8 | 68.9 Ų | 68.9 | 4% | 0.041 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 140.1 | 175.7 | -61.3 | 162.7 | 0 | 0 | 0 | 108.4 | Q714 C716 A805 R806 V808 | Q714-I788 HydrophobicContact CG-CD1 4.17Å; C716-I788 HydrophobicContact CB-CG1 4.27Å; I788-A805 CarbonylContact O-C 3.55Å; I788-A805 WeakPolarHBondContact O-CA 3.38Å; I788-R806 HydrophobicContact CB-CG 4.18Å; I788-R806 PolarHBondContact N-O 3.24Å; I788-R806 PolarHBondContact O-N 2.84Å; I788-V808 HydrophobicContact CD1-CB 4.3Å; I788-V808 HydrophobicContact CD1-CG1 3.48Å; I788-V808 VanDerWaalsContact CD1-CG1 3.48Å; I788-V808 HydrophobicContact CD1-CG2 3.79Å; I788-V808 HydrophobicContact CG1-CG2 4.29Å |
| 789 | L | 85.8 | Confident | 68.8 | Low | 58 Ų | 58 | 75.9 Ų | 75.9 | 30% | 0.304 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 119.7 | 176 | -53.2 | -177.8 | 0 | 0 | 0 | 110.1 | L752 I787 N791 A805 | L752-L789 HydrophobicContact CD1-CD2 4.22Å; L752-L789 HydrophobicContact CD2-CD1 4.38Å; L752-L789 HydrophobicContact CD2-CD2 3.46Å; L752-L789 VanDerWaalsContact CD2-CD2 3.46Å; L752-L789 HydrophobicContact CG-CD2 4.38Å; I787-L789 HydrophobicContact CG2-CD2 4.28Å; L789-N791 PolarHBondContact O-N 3.49Å; L789-N791 VanDerWaalsContact O-N 3.07Å; L789-A805 HydrophobicContact CD2-CB 3.68Å |
| 790 | D | 72.4 | Confident | 66.1 | Low | 73 Ų | 73 | 83.1 Ų | 83.1 | 39% | 0.39 | 45% | 0.449 | S | S | . | . | trans | -79.3 | 88.6 | 177.6 | -71.4 | -17.9 | 0 | 0 | 0 | 110.7 | N792 K804 R806 | D790-N792 PolarHBondContact O-N 3.5Å; D790-K804 HydrophobicContact CB-CB 4.45Å; D790-K804 WeakPolarHBondContact CB-O 3.07Å; D790-K804 PolarHBondContact N-O 2.88Å; D790-K804 VanDerWaalsContact N-O 3.11Å; D790-R806 IonicContact OD1-NE 3.83Å | ||
| 791 | N | 58.8 | Low | 63.3 | Low | 132 Ų | 132 | 87.8 Ų | 87.8 | 71% | 0.706 | 48% | 0.482 | S | S | * | . | trans | -64.1 | 16.9 | -178.6 | -71.3 | -11.6 | 0 | 0 | 0 | 116.1 | L789 S793 | L789-N791 PolarHBondContact O-N 3.49Å; L789-N791 VanDerWaalsContact O-N 3.07Å; N791-S793 VanDerWaalsContact C-N 3.25Å; N791-S793 PolarHBondContact O-N 2.74Å | ||
| 792 | N | 50.4 | Low | 61.1 | Low | 152 Ų | 152 | 91.4 Ų | 91.4 | 81% | 0.813 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | 15.2 | -173.3 | -83 | -19.7 | 0 | 0 | 0 | 114.8 | D790 N794 | D790-N792 PolarHBondContact O-N 3.5Å; N792-N794 VanDerWaalsContact C-N 3.26Å; N792-N794 PolarHBondContact O-N 2.81Å |
| 793 | S | 42.5 | Very low | 59.1 | Low | 100 Ų | 100 | 93.9 Ų | 93.9 | 70% | 0.699 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -3.9 | -176.8 | 46.6 | 0 | 0 | 0 | 0 | 115.3 | N791 K795 | N791-S793 VanDerWaalsContact C-N 3.25Å; N791-S793 PolarHBondContact O-N 2.74Å; S793-K795 PolarHBondContact O-N 3.02Å |
| 794 | N | 33.8 | Very low | 58.1 | Low | 158 Ų | 158 | 99 Ų | 99 | 85% | 0.845 | 55% | 0.549 | S | S | * | . | trans | -76.4 | 40.8 | 177.1 | -80.6 | -16 | 0 | 0 | 0 | 114.4 | N792 | N792-N794 VanDerWaalsContact C-N 3.26Å; N792-N794 PolarHBondContact O-N 2.81Å | ||
| 795 | K | 37.7 | Very low | 57.8 | Low | 191 Ų | 191 | 99 Ų | 99 | 83% | 0.83 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -136.9 | 97.6 | 163.1 | -85.3 | -168.6 | 175.1 | 179.6 | 0 | 111.5 | S793 | S793-K795 PolarHBondContact O-N 3.02Š|
| 796 | V | 34.8 | Very low | 57.6 | Low | 126 Ų | 126 | 102 Ų | 102 | 76% | 0.764 | 56% | 0.562 | S | S | * | * | trans | -4.4 | 134 | 156.4 | 177.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 797 | N | 31.8 | Very low | 57.6 | Low | 141 Ų | 141 | 100.1 Ų | 100.1 | 75% | 0.754 | 55% | 0.553 | S | S | * | * | trans | 74.6 | 86.8 | 167.2 | -63.6 | -9.7 | 0 | 0 | 0 | 119.1 | ||||
| 798 | N | 33.6 | Very low | 57.7 | Low | 140 Ų | 140 | 100.1 Ų | 100.1 | 75% | 0.749 | 55% | 0.553 | S | S | * | * | -175.6 | 146.3 | 108.5 | -96.8 | -30.3 | 0 | 0 | 0 | 113.1 | N800 | N798-N800 PolarHBondContact O-N 2.77Š| |||
| 799 | N | 34.2 | Very low | 57.9 | Low | 167 Ų | 167 | 99.7 Ų | 99.7 | 89% | 0.893 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | 52.1 | -172.2 | -65 | -5 | 0 | 0 | 0 | 114.2 | ||
| 800 | N | 36.6 | Very low | 58.1 | Low | 160 Ų | 160 | 97 Ų | 97 | 86% | 0.856 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -157.3 | 10.9 | 173.8 | -108 | -24.9 | 0 | 0 | 0 | 115 | N798 T802 | N798-N800 PolarHBondContact O-N 2.77Å; N800-T802 PolarHBondContact O-N 2.97Å |
| 801 | S | 35.2 | Very low | 58.8 | Low | 101 Ų | 101 | 96.4 Ų | 96.4 | 71% | 0.706 | 53% | 0.534 | S | S | * | . | trans | -87.2 | 90.6 | 178.2 | 59.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 802 | T | 46.6 | Very low | 60 | Low | 109 Ų | 109 | 90.2 Ų | 90.2 | 67% | 0.669 | 50% | 0.5 | S | S | * | . | trans | -58.9 | 142.7 | 158.9 | 47 | 0 | 0 | 0 | 0 | 109.7 | N800 K804 | N800-T802 PolarHBondContact O-N 2.97Å; T802-K804 PolarHBondContact O-N 2.73Å | ||
| 803 | G | 51.4 | Low | 61.2 | Low | 55 Ų | 55 | 83.7 Ų | 83.7 | 57% | 0.567 | 47% | 0.47 | S | S | * | . | trans | -63.6 | 119 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110 | A805 | G803-A805 PolarHBondContact O-N 2.91Š| ||
| 804 | K | 68.6 | Low | 62.8 | Low | 157 Ų | 157 | 81.4 Ų | 81.4 | 68% | 0.683 | 45% | 0.449 | S | S | * | . | trans | -74.6 | 93.8 | 178.2 | -76.8 | -172.2 | 174.6 | -177.9 | 0 | 110.2 | D790 T802 | D790-K804 HydrophobicContact CB-CB 4.45Å; D790-K804 WeakPolarHBondContact CB-O 3.07Å; D790-K804 PolarHBondContact N-O 2.88Å; D790-K804 VanDerWaalsContact N-O 3.11Å; T802-K804 PolarHBondContact O-N 2.73Å | ||
| 805 | A | 87 | Confident | 65.2 | Low | 12 Ų | 12 | 73.9 Ų | 73.9 | 10% | 0.099 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 152.1 | 155.6 | 0 | 0 | 0 | 0 | 0 | 110 | L752 L754 I787 I788 L789 G803 | L752-A805 HydrophobicContact CB-CB 3.96Å; L752-A805 VanDerWaalsContact O-CB 3.27Å; L752-A805 WeakPolarHBondContact O-CB 3.36Å; L754-A805 HydrophobicContact CD1-CB 3.54Å; L754-A805 HydrophobicContact CG-CB 3.96Å; I787-A805 HydrophobicContact CG2-CB 4.08Å; I788-A805 CarbonylContact O-C 3.55Å; I788-A805 WeakPolarHBondContact O-CA 3.38Å; L789-A805 HydrophobicContact CD2-CB 3.68Å; G803-A805 PolarHBondContact O-N 2.91Å |
| 806 | R | 91.7 | Very high | 67.3 | Low | 61 Ų | 61 | 67.3 Ų | 67.3 | 23% | 0.23 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 155.8 | 171.7 | 62.4 | 173.4 | 165.7 | 119.3 | -2.5 | 112.1 | P694 I787 I788 D790 | P694-R806 PolarHBondContact O-NH1 2.76Å; I787-R806 WeakPolarHBondContact CA-O 3.34Å; I788-R806 HydrophobicContact CB-CG 4.18Å; I788-R806 PolarHBondContact N-O 3.24Å; I788-R806 PolarHBondContact O-N 2.84Å; D790-R806 IonicContact OD1-NE 3.83Å |
| 807 | V | 93.4 | Very high | 69.6 | Low | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.006 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 141.1 | -179 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | H695 L754 I759 Q762 I785 L786 | H695-V807 PolarHBondContact ND1-O 2.6Å; L754-V807 HydrophobicContact CD1-CG2 4.18Å; I759-V807 HydrophobicContact CB-CG2 4.33Å; I759-V807 HydrophobicContact CG1-CG2 4.03Å; I759-V807 HydrophobicContact CG2-CG2 4.2Å; Q762-V807 HydrophobicContact CB-CB 4.02Å; I785-V807 HydrophobicContact CG2-CG1 3.32Å; L786-V807 CarbonylContact O-C 3.6Å; L786-V807 WeakPolarHBondContact O-CA 3.33Å |
| 808 | V | 94.6 | Very high | 71.8 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 147.9 | 169.1 | -62.8 | 0 | 0 | 0 | 0 | 111.5 | H695 V697 L786 I788 | H695-V808 CarbonylContact O-C 3.54Å; H695-V808 VanDerWaalsContact O-CA 3.31Å; H695-V808 WeakPolarHBondContact O-CA 3.42Å; V697-V808 HydrophobicContact CB-CG2 4.23Å; L786-V808 HydrophobicContact CB-CG2 3.96Å; L786-V808 PolarHBondContact N-O 3.12Å; L786-V808 PolarHBondContact O-N 3.01Å; I788-V808 HydrophobicContact CD1-CB 4.3Å; I788-V808 HydrophobicContact CD1-CG1 3.48Å; I788-V808 VanDerWaalsContact CD1-CG1 3.48Å; I788-V808 HydrophobicContact CD1-CG2 3.79Å; I788-V808 HydrophobicContact CG1-CG2 4.29Å |
| 809 | V | 95.2 | Very high | 73.2 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 137 | 171.7 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | H695 L696 V697 F763 A766 H777 L780 I785 F812 | H695-V809 PolarHBondContact O-N 3.16Å; L696-V809 HydrophobicContact CD2-CB 4.32Å; V697-V809 PolarHBondContact N-O 3.27Å; F763-V809 HydrophobicContact CB-CG2 4.06Å; A766-V809 HydrophobicContact CB-CB 4.26Å; A766-V809 HydrophobicContact CB-CG2 3.55Å; H777-V809 VanDerWaalsContact NE2-CG1 3.32Å; H777-V809 WeakPolarHBondContact NE2-CG1 3.46Å; L780-V809 HydrophobicContact CD2-CG1 3.67Å; I785-V809 HydrophobicContact CD1-CG1 4.42Å; I785-V809 HydrophobicContact CD1-CG2 3.91Å; V809-F812 HydrophobicContact CG1-CZ 4.33Å |
| 810 | G | 90.8 | Very high | 74.1 | Confident | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | trans | -134.6 | -177 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | H777 N784 | H777-G810 PolarHBondContact CE1-O 2.65Å; H777-G810 VanDerWaalsContact CE1-O 3.27Å; H777-G810 PolarHBondContact NE2-O 3.2Å; N784-G810 PolarHBondContact O-N 3.12Å | ||
| 811 | D | 85.4 | Confident | 74.5 | Confident | 59 Ų | 59 | 49.5 Ų | 49.5 | 32% | 0.316 | 29% | 0.289 | S | S | . | . | trans | 57.5 | 81.4 | -178.8 | -159 | 21.7 | 0 | 0 | 0 | 115 | K669 H777 G813 | K669-D811 IonicContact NZ-OD1 3.34Å; K669-D811 PolarHBondContact NZ-OD1 3.39Å; H777-D811 PolarHBondContact CE1-O 2.86Å; H777-D811 PolarHBondContact NE2-O 2.77Å; D811-G813 VanDerWaalsContact C-N 3.34Å | ||
| 812 | F | 85.3 | Confident | 74.8 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.009 | 29% | 0.292 | C | S | . | . | trans | -93.6 | 10 | -175.7 | -68.3 | -93.1 | 0 | 0 | 0 | 112.9 | E684 I687 L688 L696 V697 L770 H777 V809 L814 S815 | E684-F812 HydrophobicContact CG-CB 4.05Å; E684-F812 PolarHBondContact OE1-N 2.97Å; I687-F812 HydrophobicContact CG2-CB 4.43Å; I687-F812 HydrophobicContact CG2-CD1 3.79Å; I687-F812 HydrophobicContact CG2-CE1 4.42Å; I687-F812 HydrophobicContact CG2-CG 4.21Å; L688-F812 HydrophobicContact CD1-CD2 4.25Å; L688-F812 HydrophobicContact CD2-CD2 3.49Å; L688-F812 VanDerWaalsContact CD2-CD2 3.49Å; L688-F812 HydrophobicContact CD2-CE2 3.79Å; L688-F812 HydrophobicContact CD2-CG 4.3Å; L688-F812 HydrophobicContact CG-CB 4.36Å; L688-F812 HydrophobicContact CG-CD2 3.88Å; L688-F812 HydrophobicContact CG-CG 4.29Å; L696-F812 HydrophobicContact CD2-CE1 4.41Å; L696-F812 HydrophobicContact CD2-CZ 3.79Å; V697-F812 HydrophobicContact CG1-CE2 4.21Å; L770-F812 HydrophobicContact CD1-CE1 3.72Å; L770-F812 HydrophobicContact CD1-CZ 4.29Å; L770-F812 HydrophobicContact CD2-CE1 3.73Å; L770-F812 HydrophobicContact CD2-CZ 4.46Å; L770-F812 HydrophobicContact CG-CE1 4.38Å; H777-F812 AromaticContact CD2-CE1 3.69Å; H777-F812 AromaticContact NE2-CE1 3.99Å; H777-F812 AromaticContact NE2-CE2 3.93Å; H777-F812 AromaticContact NE2-CZ 3.79Å; V809-F812 HydrophobicContact CG1-CZ 4.33Å; F812-L814 PolarHBondContact O-N 3.06Å; F812-L814 VanDerWaalsContact O-N 3.14Å; F812-S815 WeakPolarHBondContact CA-OG 3.5Å; F812-S815 WeakPolarHBondContact CD1-OG 3.43Å; F812-S815 PolarHBondContact O-N 3.23Å; F812-S815 PolarHBondContact O-OG 2.93Å | ||
| 813 | G | 76 | Confident | 74.3 | Confident | 16 Ų | 16 | 56 Ų | 56 | 17% | 0.165 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -27 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E684 D811 | E684-G813 PolarHBondContact OE1-N 2.89Å; D811-G813 VanDerWaalsContact C-N 3.34Å |
| 814 | L | 76.3 | Confident | 73.5 | Confident | 52 Ų | 52 | 57.8 Ų | 57.8 | 27% | 0.272 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -4.1 | 176.1 | -65 | -173.6 | 0 | 0 | 0 | 114.7 | H777 R778 D779 F812 F929 | H777-L814 CarbonylContact O-C 3.51Å; R778-L814 PolarHBondContact NE-O 3.2Å; R778-L814 PolarHBondContact NH2-O 3.19Å; D779-L814 HydrophobicContact CB-CB 4.25Å; D779-L814 HydrophobicContact CB-CD1 3.92Å; F812-L814 PolarHBondContact O-N 3.06Å; F812-L814 VanDerWaalsContact O-N 3.14Å; L814-F929 HydrophobicContact CD2-CD1 4.29Å |
| 815 | S | 82.8 | Confident | 72 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -66.5 | 151.4 | -176.4 | -52.7 | 0 | 0 | 0 | 0 | 112.8 | R683 V776 H777 F812 | R683-S815 WeakPolarHBondContact CD-O 3.47Å; V776-S815 CarbonylContact O-C 3.58Å; V776-S815 VanDerWaalsContact O-CA 3.22Å; V776-S815 WeakPolarHBondContact O-CA 3.25Å; V776-S815 WeakPolarHBondContact O-CB 3.36Å; H777-S815 VanDerWaalsContact O-CA 3.27Å; H777-S815 WeakPolarHBondContact O-CA 3.49Å; H777-S815 PolarHBondContact O-N 3.49Å; H777-S815 PolarHBondContact O-OG 3.29Å; F812-S815 WeakPolarHBondContact CA-OG 3.5Å; F812-S815 WeakPolarHBondContact CD1-OG 3.43Å; F812-S815 PolarHBondContact O-N 3.23Å; F812-S815 PolarHBondContact O-OG 2.93Å | ||
| 816 | R | 82 | Confident | 69.5 | Low | 52 Ų | 52 | 63.1 Ų | 63.1 | 20% | 0.196 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 123.5 | 177.5 | -179.2 | 172.6 | -177.9 | 169.4 | 5.5 | 109.6 | V776 D829 | V776-R816 PolarHBondContact N-O 2.78Å; V776-R816 PolarHBondContact O-N 2.85Å; R816-D829 IonicContact CZ-OD1 3.59Å; R816-D829 IonicContact NH1-OD1 2.84Å; R816-D829 PolarHBondContact NH1-OD1 3.06Å; R816-D829 IonicContact NH2-OD1 2.69Å; R816-D829 PolarHBondContact NH2-OD1 2.85Å; R816-D829 IonicContact NH2-OD2 3.24Å |
| 817 | P | 82.3 | Confident | 66.7 | Low | 61 Ų | 61 | 68 Ų | 68 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 136 | 161.6 | 30.9 | -31.9 | 0 | 0 | 0 | 109 | Q774 I775 | Q774-P817 CarbonylContact O-C 3.6Å; Q774-P817 WeakPolarHBondContact O-CA 3.44Å; I775-P817 HydrophobicContact CG1-CB 4.33Å |
| 818 | L | 78.6 | Confident | 63.9 | Low | 36 Ų | 36 | 72 Ų | 72 | 19% | 0.188 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 142.7 | 173.9 | -58.3 | 175.5 | 0 | 0 | 0 | 109.6 | Q774 V776 V948 | Q774-L818 HydrophobicContact CB-CB 4.36Å; Q774-L818 PolarHBondContact O-N 3.06Å; V776-L818 HydrophobicContact CG2-CD1 3.92Å; V776-L818 HydrophobicContact CG2-CD2 3.84Å; V776-L818 HydrophobicContact CG2-CG 3.87Å; L818-V948 WeakPolarHBondContact CD2-O 3.49Å |
| 819 | P | 63.4 | Low | 60.9 | Low | 36 Ų | 36 | 75.6 Ų | 75.6 | 23% | 0.234 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 140 | 172.5 | 27 | -33.2 | 0 | 0 | 0 | 109.5 | E824 Q825 | P819-E824 HydrophobicContact CB-CB 4.29Å; P819-Q825 HydrophobicContact CG-CG 3.98Å |
| 820 | T | 53.7 | Low | 57.9 | Low | 121 Ų | 121 | 80.3 Ų | 80.3 | 74% | 0.742 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -74.9 | -29.6 | -174.4 | -47.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 821 | D | 44.5 | Very low | 55 | Low | 107 Ų | 107 | 88 Ų | 88 | 57% | 0.572 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -117.3 | 137.5 | -178.7 | -65.7 | -65.8 | 0 | 0 | 0 | 111.6 | H823 E824 | D821-H823 PolarHBondContact O-N 3.45Å; D821-H823 VanDerWaalsContact O-N 3.16Å; D821-E824 PolarHBondContact O-N 2.81Å |
| 822 | Q | 40.3 | Very low | 52.4 | Low | 165 Ų | 165 | 87.6 Ų | 87.6 | 77% | 0.771 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -64.2 | -20.7 | -178.3 | -68.4 | -178 | -13.9 | 0 | 0 | 113.3 | ||
| 823 | H | 36.6 | Very low | 49.9 | Very low | 180 Ų | 180 | 89.4 Ų | 89.4 | 83% | 0.833 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -74 | -20.9 | 179.2 | -73.6 | -75.4 | 0 | 0 | 0 | 114.5 | D821 Q825 | D821-H823 PolarHBondContact O-N 3.45Å; D821-H823 VanDerWaalsContact O-N 3.16Å; H823-Q825 VanDerWaalsContact C-N 3.31Å; H823-Q825 PolarHBondContact O-N 3.36Å |
| 824 | E | 35.5 | Very low | 47.8 | Very low | 94 Ų | 94 | 93.4 Ų | 93.4 | 44% | 0.439 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | -76.8 | -16.4 | 177.8 | -71.6 | -155 | 117.3 | 0 | 0 | 113.7 | P819 D821 Q826 H827 Q828 | P819-E824 HydrophobicContact CB-CB 4.29Å; D821-E824 PolarHBondContact O-N 2.81Å; E824-Q826 PolarHBondContact O-N 2.87Å; E824-Q826 VanDerWaalsContact O-N 3.16Å; E824-H827 PolarHBondContact O-N 3.3Å; E824-H827 VanDerWaalsContact O-N 3.15Å; E824-Q828 PolarHBondContact OE1-NE2 2.87Å; E824-Q828 PolarHBondContact OE2-NE2 2.79Å |
| 825 | Q | 37.4 | Very low | 45.5 | Very low | 107 Ų | 107 | 92.2 Ų | 92.2 | 50% | 0.5 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.1 | -31.9 | -172.5 | -68.2 | -174.6 | -23.9 | 0 | 0 | 113.2 | P819 H823 H827 | P819-Q825 HydrophobicContact CG-CG 3.98Å; H823-Q825 VanDerWaalsContact C-N 3.31Å; H823-Q825 PolarHBondContact O-N 3.36Å; Q825-H827 PolarHBondContact O-N 2.81Å |
| 826 | Q | 33.7 | Very low | 42.9 | Very low | 174 Ų | 174 | 97.6 Ų | 97.6 | 81% | 0.813 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -77.3 | -14 | -178.2 | -69.4 | -175.2 | -26 | 0 | 0 | 114.8 | E824 | E824-Q826 PolarHBondContact O-N 2.87Å; E824-Q826 VanDerWaalsContact O-N 3.16Å |
| 827 | H | 32.5 | Very low | 40.4 | Very low | 162 Ų | 162 | 97.4 Ų | 97.4 | 75% | 0.75 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -114.1 | -10.7 | -171.5 | -81.2 | -61.3 | 0 | 0 | 0 | 116 | E824 Q825 | E824-H827 PolarHBondContact O-N 3.3Å; E824-H827 VanDerWaalsContact O-N 3.15Å; Q825-H827 PolarHBondContact O-N 2.81Å |
| 828 | Q | 34.2 | Very low | 37.9 | Very low | 85 Ų | 85 | 97.1 Ų | 97.1 | 40% | 0.397 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -105.6 | -16.1 | -177.1 | -66.6 | -170.4 | 17.6 | 0 | 0 | 115.5 | E824 N832 | E824-Q828 PolarHBondContact OE1-NE2 2.87Å; E824-Q828 PolarHBondContact OE2-NE2 2.79Å; Q828-N832 PolarHBondContact O-ND2 2.81Å |
| 829 | D | 31.6 | Very low | 35.6 | Very low | 76 Ų | 76 | 96.6 Ų | 96.6 | 41% | 0.406 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -82.5 | -11.4 | -171.5 | -78.7 | -38.6 | 0 | 0 | 0 | 114.7 | R816 F831 | R816-D829 IonicContact CZ-OD1 3.59Å; R816-D829 IonicContact NH1-OD1 2.84Å; R816-D829 PolarHBondContact NH1-OD1 3.06Å; R816-D829 IonicContact NH2-OD1 2.69Å; R816-D829 PolarHBondContact NH2-OD1 2.85Å; R816-D829 IonicContact NH2-OD2 3.24Å; D829-F831 VanDerWaalsContact C-N 3.29Å; D829-F831 PolarHBondContact O-N 3.37Å |
| 830 | T | 34.1 | Very low | 34.1 | Very low | 100 Ų | 100 | 95.7 Ų | 95.7 | 61% | 0.613 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -70.4 | -17.2 | 178.1 | -17.9 | 0 | 0 | 0 | 0 | 114.7 | ||
| 831 | F | 28.9 | Very low | 33.1 | Very low | 162 Ų | 162 | 97 Ų | 97 | 71% | 0.711 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -125.3 | 12.2 | -164.2 | -83.5 | -74.8 | 0 | 0 | 0 | 115.8 | K679 D829 | K679-F831 PolarHBondContact NZ-O 2.87Å; D829-F831 VanDerWaalsContact C-N 3.29Å; D829-F831 PolarHBondContact O-N 3.37Å |
| 832 | N | 30.4 | Very low | 32.5 | Very low | 52 Ų | 52 | 95.5 Ų | 95.5 | 28% | 0.278 | 48% | 0.482 | S | S | . | . | trans | -118.3 | 32.6 | -174.1 | -69.2 | -53.5 | 0 | 0 | 0 | 113.2 | K679 Q828 I834 | K679-N832 PolarHBondContact NZ-OD1 2.66Å; Q828-N832 PolarHBondContact O-ND2 2.81Å; N832-I834 PolarHBondContact O-N 3.29Å | ||
| 833 | S | 32.7 | Very low | 32 | Very low | 39 Ų | 39 | 93.2 Ų | 93.2 | 27% | 0.273 | 47% | 0.471 | S | S | . | . | trans | -101.8 | 32.9 | -151.5 | -40.2 | 0 | 0 | 0 | 0 | 114.8 | F927 | S833-F927 WeakPolarHBondContact O-CE1 3.24Å; S833-F927 WeakPolarHBondContact O-CZ 3.47Å | ||
| 834 | I | 31.6 | Very low | 31.6 | Very low | 101 Ų | 101 | 90.1 Ų | 90.1 | 52% | 0.518 | 46% | 0.457 | S | S | . | . | trans | -133 | 93.1 | -169.6 | -46.1 | -179.6 | 0 | 0 | 0 | 112.3 | L676 N832 | L676-I834 HydrophobicContact CD1-CG2 4.34Å; L676-I834 HydrophobicContact CD2-CD1 3.38Å; L676-I834 HydrophobicContact CD2-CG1 4.49Å; L676-I834 HydrophobicContact CD2-CG2 4.05Å; N832-I834 PolarHBondContact O-N 3.29Å | ||
| 835 | G | 28.7 | Very low | 31.1 | Very low | 26 Ų | 26 | 91.1 Ų | 91.1 | 27% | 0.268 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -159.8 | 157.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | H837 | G835-H837 PolarHBondContact O-N 3.38Š|
| 836 | P | 27.6 | Very low | 30.5 | Very low | 113 Ų | 113 | 93.9 Ų | 93.9 | 73% | 0.734 | 48% | 0.475 | S | S | * | . | trans | -66.4 | 117.1 | -172.9 | 26.6 | -34.2 | 0 | 0 | 0 | 112 | ||||
| 837 | H | 29.3 | Very low | 30.1 | Very low | 49 Ų | 49 | 89.7 Ų | 89.7 | 23% | 0.227 | 46% | 0.464 | C | S | . | . | trans | -76.2 | 128.3 | -173.8 | 179.5 | -99.8 | 0 | 0 | 0 | 112.7 | G835 S839 R890 | G835-H837 PolarHBondContact O-N 3.38Å; H837-S839 WeakPolarHBondContact CE1-CB 3.33Å; H837-S839 PolarHBondContact CE1-OG 3.32Å; H837-S839 VanDerWaalsContact CE1-OG 3.29Å; H837-R890 PolarHBondContact ND1-O 2.91Å | ||
| 838 | I | 30.1 | Very low | 29.8 | Very low | 55 Ų | 55 | 92.7 Ų | 92.7 | 28% | 0.282 | 47% | 0.469 | S | S | . | . | trans | -129.6 | 88.8 | 170 | -51 | 179.4 | 0 | 0 | 0 | 109.3 | V840 T928 L932 | I838-V840 HydrophobicContact CG2-CG2 4.44Å; I838-T928 VanDerWaalsContact C-OG1 3.25Å; I838-T928 PolarHBondContact N-OG1 2.83Å; I838-T928 PolarHBondContact O-OG1 2.86Å; I838-L932 HydrophobicContact CD1-CD1 4.01Å; I838-L932 HydrophobicContact CD1-CD2 4.19Å; I838-L932 HydrophobicContact CD1-CG 4.13Å; I838-L932 HydrophobicContact CG2-CD2 4.33Å | ||
| 839 | S | 31 | Very low | 29.3 | Very low | 24 Ų | 24 | 93.7 Ų | 93.7 | 17% | 0.168 | 49% | 0.486 | C | S | . | . | trans | -84.5 | 110.2 | 173.1 | 56.8 | 0 | 0 | 0 | 0 | 111.3 | H837 K841 | H837-S839 WeakPolarHBondContact CE1-CB 3.33Å; H837-S839 PolarHBondContact CE1-OG 3.32Å; H837-S839 VanDerWaalsContact CE1-OG 3.29Å; S839-K841 VanDerWaalsContact C-N 3.29Å; S839-K841 PolarHBondContact O-N 3.35Å | ||
| 840 | V | 32.6 | Very low | 29 | Very low | 17 Ų | 17 | 98.1 Ų | 98.1 | 10% | 0.103 | 51% | 0.508 | C | S | . | . | trans | -85.3 | 71.3 | 174.5 | -173.2 | 0 | 0 | 0 | 0 | 109.5 | I838 I842 I887 L1037 | I838-V840 HydrophobicContact CG2-CG2 4.44Å; V840-I842 HydrophobicContact CG1-CG1 4.32Å; V840-I842 PolarHBondContact O-N 3.29Å; V840-I842 VanDerWaalsContact O-N 3.09Å; V840-I887 HydrophobicContact CG1-CG2 4.32Å; V840-L1037 HydrophobicContact CG1-CD2 4.42Å | ||
| 841 | K | 32.7 | Very low | 28.6 | Very low | 149 Ų | 149 | 98.6 Ų | 98.6 | 65% | 0.648 | 52% | 0.516 | S | S | * | . | trans | -79 | 95.8 | -177.4 | -151.1 | 167.6 | -166.2 | 171.2 | 0 | 110.7 | S839 Q843 | S839-K841 VanDerWaalsContact C-N 3.29Å; S839-K841 PolarHBondContact O-N 3.35Å; K841-Q843 VanDerWaalsContact C-N 3.34Å; K841-Q843 PolarHBondContact O-N 3.34Å | ||
| 842 | I | 31.5 | Very low | 28.5 | Very low | 76 Ų | 76 | 96 Ų | 96 | 39% | 0.39 | 52% | 0.518 | S | S | . | . | trans | -72.4 | 83.9 | 179.2 | -53.3 | 177.7 | 0 | 0 | 0 | 109.8 | V840 Q844 F885 A1040 E1041 | V840-I842 HydrophobicContact CG1-CG1 4.32Å; V840-I842 PolarHBondContact O-N 3.29Å; V840-I842 VanDerWaalsContact O-N 3.09Å; I842-Q844 PolarHBondContact O-N 3.09Å; I842-F885 HydrophobicContact CG2-CD1 4.06Å; I842-F885 HydrophobicContact CG2-CE1 4.28Å; I842-A1040 HydrophobicContact CD1-CB 4.33Å; I842-E1041 HydrophobicContact CD1-CG 3.93Å | ||
| 843 | Q | 29.9 | Very low | 28.2 | Very low | 116 Ų | 116 | 97.5 Ų | 97.5 | 54% | 0.542 | 53% | 0.533 | S | S | . | . | trans | -77.3 | 101 | 174.9 | -78.2 | -171.4 | -69.2 | 0 | 0 | 111.4 | K841 I845 | K841-Q843 VanDerWaalsContact C-N 3.34Å; K841-Q843 PolarHBondContact O-N 3.34Å; Q843-I845 PolarHBondContact O-N 3.07Å | ||
| 844 | Q | 27.3 | Very low | 28 | Very low | 116 Ų | 116 | 106 Ų | 106 | 54% | 0.542 | 56% | 0.56 | S | S | . | * | trans | -74 | 97.6 | 161.4 | -177 | 179.6 | 95.9 | 0 | 0 | 108.9 | I842 K846 | I842-Q844 PolarHBondContact O-N 3.09Å; Q844-K846 VanDerWaalsContact C-N 3.33Å; Q844-K846 PolarHBondContact O-N 2.93Å | ||
| 845 | I | 25.7 | Very low | 27.8 | Very low | 114 Ų | 114 | 108.4 Ų | 108.4 | 59% | 0.585 | 57% | 0.569 | S | S | * | * | trans | -72.1 | 85.9 | -179.6 | -54.4 | 178.6 | 0 | 0 | 0 | 110 | Q843 S847 | Q843-I845 PolarHBondContact O-N 3.07Å; I845-S847 PolarHBondContact O-N 2.91Å; I845-S847 VanDerWaalsContact O-N 3.14Å | ||
| 846 | K | 25.4 | Very low | 27.6 | Very low | 166 Ų | 166 | 113.1 Ų | 113.1 | 72% | 0.722 | 59% | 0.588 | S | S | * | * | trans | -70.8 | 100.9 | 160.9 | -74.7 | -174.9 | 179.2 | 177.4 | 0 | 108.6 | Q844 R848 | Q844-K846 VanDerWaalsContact C-N 3.33Å; Q844-K846 PolarHBondContact O-N 2.93Å; K846-R848 VanDerWaalsContact C-N 3.35Å; K846-R848 PolarHBondContact O-N 3.17Å | ||
| 847 | S | 25.3 | Very low | 27.5 | Very low | 85 Ų | 85 | 114.6 Ų | 114.6 | 59% | 0.594 | 59% | 0.59 | S | S | * | * | trans | -62.8 | 91.4 | 170.1 | 52.3 | 0 | 0 | 0 | 0 | 110.4 | I845 S849 | I845-S847 PolarHBondContact O-N 2.91Å; I845-S847 VanDerWaalsContact O-N 3.14Å; S847-S849 PolarHBondContact O-N 2.65Å; S847-S849 VanDerWaalsContact O-N 3.09Å | ||
| 848 | R | 25.4 | Very low | 27.4 | Very low | 225 Ų | 225 | 117.1 Ų | 117.1 | 85% | 0.849 | 61% | 0.613 | S | S | * | * | trans | -68.9 | 101.1 | 168.3 | -96.3 | -176.2 | 166.8 | 167.7 | -4.1 | 108.8 | K846 L850 | K846-R848 VanDerWaalsContact C-N 3.35Å; K846-R848 PolarHBondContact O-N 3.17Å; R848-L850 HydrophobicContact CB-CD1 4.5Å; R848-L850 PolarHBondContact O-N 2.71Å | ||
| 849 | S | 24.6 | Very low | 27 | Very low | 107 Ų | 107 | 119.6 Ų | 119.6 | 75% | 0.748 | 64% | 0.636 | S | S | * | * | trans | -63.5 | 108.7 | 159.6 | 50.5 | 0 | 0 | 0 | 0 | 108.9 | S847 S851 | S847-S849 PolarHBondContact O-N 2.65Å; S847-S849 VanDerWaalsContact O-N 3.09Å; S849-S851 PolarHBondContact O-N 2.65Å; S849-S851 VanDerWaalsContact O-N 3.15Å | ||
| 850 | L | 23.7 | Very low | 26.9 | Very low | 168 Ų | 168 | 124.3 Ų | 124.3 | 88% | 0.88 | 66% | 0.663 | S | S | * | * | trans | -77.4 | 92.8 | 165.8 | -83.8 | 85.4 | 0 | 0 | 0 | 109 | R848 | R848-L850 HydrophobicContact CB-CD1 4.5Å; R848-L850 PolarHBondContact O-N 2.71Å | ||
| 851 | S | 27.2 | Very low | 26.5 | Very low | 111 Ų | 111 | 131 Ų | 131 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | trans | -100 | 130.2 | 144.7 | 49.1 | 0 | 0 | 0 | 0 | 107.9 | S849 | S849-S851 PolarHBondContact O-N 2.65Å; S849-S851 VanDerWaalsContact O-N 3.15Å | ||
| 852 | S | 26.7 | Very low | 26.1 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 76% | 0.755 | 70% | 0.695 | S | S | * | * | trans | -83.2 | 136.6 | -173.7 | 51.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 853 | S | 24.2 | Very low | 25.7 | Very low | 83 Ų | 83 | 134.1 Ų | 134.1 | 58% | 0.58 | 71% | 0.711 | S | S | * | * | trans | 41.2 | 122.9 | 148.4 | 59.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 854 | Y | 27.7 | Very low | 25.5 | Very low | 216 Ų | 216 | 133.1 Ų | 133.1 | 85% | 0.847 | 72% | 0.716 | S | S | * | * | -165 | -171 | 99.4 | -100.6 | -66.4 | 0 | 0 | 0 | 110.9 | |||||
| 855 | Q | 26.3 | Very low | 25.4 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 71% | 0.71 | 72% | 0.724 | S | S | * | * | trans | -94.1 | 155.6 | -155.1 | -66.4 | 164 | -66.5 | 0 | 0 | 115.6 | ||||
| 856 | N | 25 | Very low | 25.4 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 67% | 0.674 | 73% | 0.733 | S | S | * | * | trans | 51.8 | 120.4 | 140.4 | -60 | -1.3 | 0 | 0 | 0 | 122 | ||||
| 857 | N | 25.7 | Very low | 25.6 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | trans | 75.9 | 136 | 133 | -59.5 | -3.6 | 0 | 0 | 0 | 122.6 | ||||
| 858 | S | 26.6 | Very low | 25.5 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | trans | 65.7 | 91.7 | 143.4 | 53.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 859 | S | 22.6 | Very low | 25.8 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | 68.8 | 153.9 | 116.6 | 63.6 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 860 | V | 29.2 | Very low | 25.8 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 75% | 0.745 | 74% | 0.738 | S | S | * | * | trans | 78.7 | 108.7 | 169.1 | -167.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 861 | E | 23.5 | Very low | 25.8 | Very low | 157 Ų | 157 | 131.2 Ų | 131.2 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | 67.6 | 140.9 | 71.7 | -69 | -172.7 | 174.9 | 0 | 0 | 114.2 | |||||
| 862 | F | 24.2 | Very low | 25.7 | Very low | 155 Ų | 155 | 133.4 Ų | 133.4 | 68% | 0.68 | 73% | 0.734 | S | S | * | * | cis | -163.2 | 153.2 | 1.3 | -125.1 | -53.9 | 0 | 0 | 0 | 110.9 | ||||
| 863 | N | 24.6 | Very low | 25.6 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | 64.6 | 155.7 | 153.2 | -68.6 | -27.5 | 0 | 0 | 0 | 121.1 | ||||
| 864 | S | 25.2 | Very low | 25.6 | Very low | 94 Ų | 94 | 134.7 Ų | 134.7 | 66% | 0.657 | 74% | 0.743 | S | S | * | * | cis | -169.2 | 164.4 | -13.8 | 51 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 865 | S | 25.2 | Very low | 25.4 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | 62.3 | 145.1 | 149 | 49.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 866 | E | 25.4 | Very low | 25.2 | Very low | 164 Ų | 164 | 129.7 Ų | 129.7 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | cis | -171.2 | 171.8 | -9.9 | -129.4 | 173.5 | -147.4 | 0 | 0 | 112.5 | ||||
| 867 | N | 29.4 | Very low | 25.2 | Very low | 122 Ų | 122 | 130.2 Ų | 130.2 | 65% | 0.652 | 75% | 0.751 | S | S | * | * | trans | 76.9 | 99.3 | 153.5 | -56.6 | -28.5 | 0 | 0 | 0 | 124.3 | ||||
| 868 | D | 24.3 | Very low | 25.1 | Very low | 152 Ų | 152 | 129.7 Ų | 129.7 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | 80.8 | 156.4 | 116.1 | -73.2 | -8.9 | 0 | 0 | 0 | 127.8 | |||||
| 869 | V | 30.5 | Very low | 25 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | trans | 89.3 | 70.2 | 164.3 | -156.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 870 | Q | 24.5 | Very low | 25.1 | Very low | 175 Ų | 175 | 134.1 Ų | 134.1 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | 55.7 | 103.2 | 110.4 | -164.7 | 176.2 | 22.3 | 0 | 0 | 121.3 | |||||
| 871 | S | 24.6 | Very low | 25 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | 164 | 145.6 | 105.7 | 55 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 872 | N | 23.8 | Very low | 25.1 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | trans | 45.3 | 103 | 150.1 | -57.2 | -12.9 | 0 | 0 | 0 | 121.7 | ||||
| 873 | A | 25.6 | Very low | 25.1 | Very low | 92 Ų | 92 | 129.1 Ų | 129.1 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | -175.8 | 132.1 | 107.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 874 | T | 24.3 | Very low | 25.2 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 77% | 0.767 | 74% | 0.741 | S | S | * | * | trans | 33.7 | 104.7 | 150.1 | 53.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 875 | S | 23.1 | Very low | 25.3 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | trans | 56.4 | 86.8 | 131.3 | 63 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 876 | I | 22.3 | Very low | 25.4 | Very low | 154 Ų | 154 | 127.8 Ų | 127.8 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | trans | -129.3 | 106.3 | 143.4 | -58.1 | 178.7 | 0 | 0 | 0 | 108.1 | ||||
| 877 | T | 25.5 | Very low | 25.5 | Very low | 138 Ų | 138 | 122.2 Ų | 122.2 | 85% | 0.847 | 70% | 0.7 | S | S | * | * | trans | -106.6 | 101.6 | 175 | 49.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 878 | N | 23.7 | Very low | 25.5 | Very low | 132 Ų | 132 | 118.9 Ų | 118.9 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | trans | -73.1 | 136 | 178.7 | -88.2 | -42.9 | 0 | 0 | 0 | 112.7 | ||||
| 879 | N | 24.4 | Very low | 25.7 | Very low | 145 Ų | 145 | 114.9 Ų | 114.9 | 78% | 0.775 | 67% | 0.668 | S | S | * | * | trans | 31.2 | 103.7 | 141.3 | -60 | -25.9 | 0 | 0 | 0 | 118.9 | ||||
| 880 | N | 24.8 | Very low | 25.5 | Very low | 158 Ų | 158 | 117 Ų | 117 | 85% | 0.845 | 66% | 0.662 | S | S | * | * | trans | -118.8 | 101 | 147.3 | -100.6 | -39.4 | 0 | 0 | 0 | 108.8 | N882 | N880-N882 PolarHBondContact O-N 2.88Å; N880-N882 VanDerWaalsContact O-N 3.13Å | ||
| 881 | S | 25.2 | Very low | 25.5 | Very low | 88 Ų | 88 | 118.3 Ų | 118.3 | 62% | 0.615 | 66% | 0.661 | S | S | * | * | trans | -79.8 | 91.7 | -175.2 | 53.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 882 | N | 26 | Very low | 25.6 | Very low | 142 Ų | 142 | 116.4 Ų | 116.4 | 76% | 0.759 | 66% | 0.658 | S | S | * | * | trans | -67.7 | 128.7 | 171.7 | -77.2 | -41.8 | 0 | 0 | 0 | 111.1 | N880 I884 | N880-N882 PolarHBondContact O-N 2.88Å; N880-N882 VanDerWaalsContact O-N 3.13Å; N882-I884 PolarHBondContact O-N 2.82Å | ||
| 883 | N | 25.8 | Very low | 25.6 | Very low | 100 Ų | 100 | 115.1 Ų | 115.1 | 54% | 0.535 | 65% | 0.651 | S | S | . | * | trans | -72.4 | 93.9 | 174.3 | -79.3 | -86.1 | 0 | 0 | 0 | 110.3 | F885 | N883-F885 HydrophobicContact CB-CE2 4.21Å; N883-F885 PolarHBondContact O-N 3.11Å | ||
| 884 | I | 25.9 | Very low | 25.6 | Very low | 131 Ų | 131 | 116.1 Ų | 116.1 | 67% | 0.672 | 64% | 0.64 | S | S | * | * | trans | -82.1 | 106.5 | 174.7 | -60.9 | 174.9 | 0 | 0 | 0 | 109.1 | N882 G886 | N882-I884 PolarHBondContact O-N 2.82Å; I884-G886 PolarHBondContact O-N 3.43Å | ||
| 885 | F | 27.3 | Very low | 25.7 | Very low | 125 Ų | 125 | 118.4 Ų | 118.4 | 55% | 0.548 | 64% | 0.642 | S | S | . | * | trans | -81.5 | 103.3 | 169.1 | -69.4 | -87.6 | 0 | 0 | 0 | 109.8 | I842 N883 | I842-F885 HydrophobicContact CG2-CD1 4.06Å; I842-F885 HydrophobicContact CG2-CE1 4.28Å; N883-F885 HydrophobicContact CB-CE2 4.21Å; N883-F885 PolarHBondContact O-N 3.11Å | ||
| 886 | G | 26.2 | Very low | 25.8 | Very low | 47 Ų | 47 | 119.7 Ų | 119.7 | 49% | 0.485 | 64% | 0.636 | S | S | . | * | trans | -107.1 | 133.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I884 S888 | I884-G886 PolarHBondContact O-N 3.43Å; G886-S888 PolarHBondContact O-N 3.02Å | ||
| 887 | I | 29 | Very low | 25.9 | Very low | 47 Ų | 47 | 121.8 Ų | 121.8 | 24% | 0.241 | 64% | 0.635 | C | S | . | * | trans | -79.6 | 109.1 | 164.3 | -51 | -179.3 | 0 | 0 | 0 | 108.1 | V840 V889 L1029 L1037 | V840-I887 HydrophobicContact CG1-CG2 4.32Å; I887-V889 HydrophobicContact CG2-CG2 3.96Å; I887-V889 PolarHBondContact O-N 2.9Å; I887-L1029 HydrophobicContact CD1-CD2 3.55Å; I887-L1029 HydrophobicContact CG1-CD2 4.46Å; I887-L1037 HydrophobicContact CD1-CD1 3.84Å; I887-L1037 HydrophobicContact CD1-CD2 3.85Å; I887-L1037 HydrophobicContact CD1-CG 3.69Å; I887-L1037 HydrophobicContact CG1-CD1 4.43Å; I887-L1037 HydrophobicContact CG1-CD2 4Å; I887-L1037 HydrophobicContact CG1-CG 4.36Å | ||
| 888 | S | 29.5 | Very low | 25.8 | Very low | 52 Ų | 52 | 120.7 Ų | 120.7 | 36% | 0.364 | 63% | 0.629 | S | S | . | * | trans | -81.2 | 95.7 | 169.1 | -171.1 | 0 | 0 | 0 | 0 | 110 | G886 R890 | G886-S888 PolarHBondContact O-N 3.02Å; S888-R890 VanDerWaalsContact C-N 3.32Å; S888-R890 PolarHBondContact O-N 2.94Å | ||
| 889 | V | 28 | Very low | 25.9 | Very low | 68 Ų | 68 | 119.3 Ų | 119.3 | 41% | 0.412 | 63% | 0.627 | S | S | . | * | trans | -76.5 | 84.8 | 171.6 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | I887 Y891 | I887-V889 HydrophobicContact CG2-CG2 3.96Å; I887-V889 PolarHBondContact O-N 2.9Å; V889-Y891 HydrophobicContact CG1-CD2 4.42Å; V889-Y891 HydrophobicContact CG1-CE2 4.09Å; V889-Y891 PolarHBondContact O-N 3.13Å | ||
| 890 | R | 26.2 | Very low | 26.1 | Very low | 168 Ų | 168 | 120.4 Ų | 120.4 | 63% | 0.634 | 63% | 0.633 | S | S | * | * | trans | -78.2 | 107.8 | 175.2 | -67.6 | -169.3 | 178.2 | -160 | -2.5 | 111.1 | H837 S888 G892 | H837-R890 PolarHBondContact ND1-O 2.91Å; S888-R890 VanDerWaalsContact C-N 3.32Å; S888-R890 PolarHBondContact O-N 2.94Å; R890-G892 PolarHBondContact O-N 3.32Å | ||
| 891 | Y | 25.2 | Very low | 26.2 | Very low | 202 Ų | 202 | 119.7 Ų | 119.7 | 79% | 0.792 | 63% | 0.627 | S | S | * | * | trans | -72.7 | 105.9 | 151 | -73.2 | -95.1 | 0 | 0 | 0 | 107 | V889 | V889-Y891 HydrophobicContact CG1-CD2 4.42Å; V889-Y891 HydrophobicContact CG1-CE2 4.09Å; V889-Y891 PolarHBondContact O-N 3.13Å | ||
| 892 | G | 26.7 | Very low | 26.2 | Very low | 65 Ų | 65 | 120.8 Ų | 120.8 | 67% | 0.67 | 63% | 0.63 | S | S | * | * | trans | -99.6 | 89.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R890 | R890-G892 PolarHBondContact O-N 3.32Š| ||
| 893 | D | 23.1 | Very low | 26.2 | Very low | 129 Ų | 129 | 121 Ų | 121 | 69% | 0.69 | 63% | 0.632 | S | S | * | * | trans | -87 | 96.3 | 153 | -73.2 | -33.5 | 0 | 0 | 0 | 107.6 | ||||
| 894 | Q | 25.8 | Very low | 26.1 | Very low | 114 Ų | 114 | 123.8 Ų | 123.8 | 53% | 0.533 | 65% | 0.646 | S | S | . | * | trans | 175.5 | 112.2 | 152.9 | -101.2 | 162.8 | 35.7 | 0 | 0 | 110.5 | ||||
| 895 | E | 26 | Very low | 26.1 | Very low | 173 Ų | 173 | 123.8 Ų | 123.8 | 81% | 0.808 | 65% | 0.652 | S | S | * | * | trans | -91.2 | 130.8 | 154.1 | -66.9 | -178.7 | 143.4 | 0 | 0 | 107.9 | ||||
| 896 | E | 25.1 | Very low | 26 | Very low | 136 Ų | 136 | 129 Ų | 129 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | trans | -110.7 | 99.1 | 162.4 | -172.7 | 167.2 | -136.4 | 0 | 0 | 107.2 | ||||
| 897 | Y | 24.3 | Very low | 26 | Very low | 197 Ų | 197 | 134.2 Ų | 134.2 | 77% | 0.773 | 69% | 0.685 | S | S | * | * | trans | -126.2 | 108.6 | -177.1 | -155.1 | -78 | 0 | 0 | 0 | 109.2 | P899 | Y897-P899 WeakPolarHBondContact O-CD 3.39Š| ||
| 898 | T | 23.3 | Very low | 25.9 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 71% | 0.712 | 70% | 0.704 | S | S | * | * | trans | -84.5 | 114.8 | 176.9 | 49.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 899 | P | 26.6 | Very low | 25.6 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 67% | 0.669 | 73% | 0.726 | S | S | * | * | trans | -100.7 | 91.7 | -175.8 | 36 | -27.4 | 0 | 0 | 0 | 111.8 | Y897 I901 | Y897-P899 WeakPolarHBondContact O-CD 3.39Å; P899-I901 PolarHBondContact O-N 2.94Å | ||
| 900 | D | 28.6 | Very low | 25.7 | Very low | 168 Ų | 168 | 144.9 Ų | 144.9 | 90% | 0.898 | 75% | 0.747 | S | S | * | * | trans | -84.5 | 104.5 | 169.7 | -90.1 | -24.9 | 0 | 0 | 0 | 111.5 | ||||
| 901 | I | 25.6 | Very low | 25.6 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 73% | 0.728 | 75% | 0.753 | S | S | * | * | trans | -109.6 | 135 | 160.2 | -42 | 179.3 | 0 | 0 | 0 | 103.3 | P899 | P899-I901 PolarHBondContact O-N 2.94Š| ||
| 902 | V | 26.2 | Very low | 25.5 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 67% | 0.673 | 75% | 0.749 | S | S | * | * | -161.3 | 148.2 | 51 | -147.9 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 903 | N | 26.7 | Very low | 25.3 | Very low | 148 Ų | 148 | 146.8 Ų | 146.8 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | 176.9 | 133 | 106.6 | -93.8 | -54.2 | 0 | 0 | 0 | 114.1 | |||||
| 904 | N | 23.1 | Very low | 25.3 | Very low | 158 Ų | 158 | 148 Ų | 148 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | trans | -89.3 | 121.2 | 172.1 | -91 | -51.9 | 0 | 0 | 0 | 111.1 | ||||
| 905 | T | 26.6 | Very low | 25.2 | Very low | 130 Ų | 130 | 147.3 Ų | 147.3 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | trans | -152.2 | 101.7 | 152.4 | 9.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 906 | R | 24.3 | Very low | 25.2 | Very low | 234 Ų | 234 | 146.9 Ų | 146.9 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | 21.1 | 115.5 | 148.3 | -60.1 | 173.7 | 177.6 | 159.9 | -1.9 | 118.8 | ||||
| 907 | N | 26.1 | Very low | 25.2 | Very low | 157 Ų | 157 | 148.9 Ų | 148.9 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | -166.6 | 159.3 | 92.5 | -110.1 | -5.6 | 0 | 0 | 0 | 112.7 | |||||
| 908 | P | 27.8 | Very low | 25.1 | Very low | 97 Ų | 97 | 146.8 Ų | 146.8 | 63% | 0.63 | 78% | 0.775 | S | S | * | * | trans | -98.9 | 169.2 | -177.1 | 38.9 | -35.1 | 0 | 0 | 0 | 114.3 | ||||
| 909 | N | 23.2 | Very low | 25.2 | Very low | 154 Ų | 154 | 150.7 Ų | 150.7 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | 70.2 | 111.6 | 166.9 | -54.7 | -21.5 | 0 | 0 | 0 | 117.8 | ||||
| 910 | V | 29.6 | Very low | 25.1 | Very low | 141 Ų | 141 | 151.5 Ų | 151.5 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | -170.2 | 149.6 | 102 | 148.3 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 911 | N | 23.3 | Very low | 24.9 | Very low | 144 Ų | 144 | 149.2 Ų | 149.2 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -90.2 | 172.2 | -177.5 | -75.4 | -19 | 0 | 0 | 0 | 113.4 | ||||
| 912 | N | 23.6 | Very low | 24.8 | Very low | 132 Ų | 132 | 148.9 Ų | 148.9 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | 88.7 | 110.7 | 149.3 | -77.5 | 2.2 | 0 | 0 | 0 | 120.3 | ||||
| 913 | Y | 21.9 | Very low | 24.7 | Very low | 199 Ų | 199 | 151 Ų | 151 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | trans | 54.6 | 145.6 | 147.7 | -61.3 | -91.8 | 0 | 0 | 0 | 118.6 | ||||
| 914 | H | 24.7 | Very low | 24.6 | Very low | 154 Ų | 154 | 148.2 Ų | 148.2 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | cis | -150.1 | 154.6 | 18.7 | -137.6 | -73.7 | 0 | 0 | 0 | 110.4 | ||||
| 915 | S | 23.1 | Very low | 24.6 | Very low | 100 Ų | 100 | 145.4 Ų | 145.4 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | 31.5 | 118.7 | 156.3 | 55.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 916 | D | 26.3 | Very low | 24.6 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 87% | 0.872 | 74% | 0.742 | S | S | * | * | -146.2 | 168 | 122.5 | -137.6 | -29.2 | 0 | 0 | 0 | 112.3 | |||||
| 917 | K | 23.4 | Very low | 24.9 | Very low | 178 Ų | 178 | 131.8 Ų | 131.8 | 77% | 0.774 | 71% | 0.712 | S | S | * | * | trans | -104.3 | 164.7 | -176.7 | -67.9 | 173.8 | 179.3 | 171.8 | 0 | 111.8 | ||||
| 918 | N | 23.4 | Very low | 25.6 | Very low | 153 Ų | 153 | 125.1 Ų | 125.1 | 82% | 0.818 | 68% | 0.677 | S | S | * | * | trans | 69.5 | 82.1 | 166.6 | -49.2 | -24.8 | 0 | 0 | 0 | 116.7 | ||||
| 919 | Q | 24.7 | Very low | 26.9 | Very low | 198 Ų | 198 | 122 Ų | 122 | 93% | 0.925 | 65% | 0.653 | S | S | * | * | trans | -126.2 | 129 | 135.7 | -82.9 | -170.5 | -10.5 | 0 | 0 | 109.3 | ||||
| 920 | V | 24.2 | Very low | 29 | Very low | 120 Ų | 120 | 116 Ų | 116 | 73% | 0.727 | 63% | 0.627 | S | S | * | * | trans | -93.4 | 113.8 | 178 | 175.4 | 0 | 0 | 0 | 0 | 107.7 | D922 | V920-D922 HydrophobicContact CG1-CB 4.33Å; V920-D922 WeakPolarHBondContact CG1-OD2 3.39Å | ||
| 921 | S | 24.7 | Very low | 31.6 | Very low | 120 Ų | 120 | 111 Ų | 111 | 84% | 0.839 | 60% | 0.597 | S | S | * | * | trans | -105.8 | 67.7 | 173.5 | 63.1 | 0 | 0 | 0 | 0 | 110.2 | N923 | S921-N923 PolarHBondContact O-N 3.33Å; S921-N923 VanDerWaalsContact O-N 3.17Å | ||
| 922 | D | 23.8 | Very low | 34.5 | Very low | 136 Ų | 136 | 105.2 Ų | 105.2 | 73% | 0.727 | 57% | 0.567 | S | S | * | * | trans | -68.9 | 105.6 | 171.5 | -82.5 | -35.8 | 0 | 0 | 0 | 109.8 | V920 | V920-D922 HydrophobicContact CG1-CB 4.33Å; V920-D922 WeakPolarHBondContact CG1-OD2 3.39Å | ||
| 923 | N | 24.3 | Very low | 37.6 | Very low | 156 Ų | 156 | 99 Ų | 99 | 83% | 0.834 | 53% | 0.533 | S | S | * | . | trans | 177.3 | 86.4 | 144.8 | -93 | -23.6 | 0 | 0 | 0 | 110.7 | S921 | S921-N923 PolarHBondContact O-N 3.33Å; S921-N923 VanDerWaalsContact O-N 3.17Å | ||
| 924 | S | 23.9 | Very low | 41 | Very low | 88 Ų | 88 | 90.6 Ų | 90.6 | 62% | 0.615 | 50% | 0.5 | S | S | * | . | trans | -113.9 | 108.7 | 164.3 | 52.9 | 0 | 0 | 0 | 0 | 110.2 | C926 | S924-C926 PolarHBondContact O-N 2.9Å; S924-C926 VanDerWaalsContact O-N 3.08Å | ||
| 925 | V | 24.2 | Very low | 44.1 | Very low | 99 Ų | 99 | 84 Ų | 84 | 60% | 0.6 | 47% | 0.469 | S | S | * | . | trans | -78.7 | 91.8 | 176.7 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | F927 | V925-F927 HydrophobicContact CB-CE2 4.27Å; V925-F927 HydrophobicContact CG1-CD2 4.45Å; V925-F927 HydrophobicContact CG1-CE2 3.7Å; V925-F927 HydrophobicContact CG1-CZ 3.91Å; V925-F927 VanDerWaalsContact O-CD2 3.23Å; V925-F927 WeakPolarHBondContact O-CD2 3.34Å; V925-F927 WeakPolarHBondContact O-CE2 3.44Å; V925-F927 PolarHBondContact O-N 3.42Å | ||
| 926 | C | 26.9 | Very low | 47.4 | Very low | 23 Ų | 23 | 79.2 Ų | 79.2 | 16% | 0.155 | 44% | 0.437 | C | S | . | . | trans | -89.3 | 108.1 | -171.3 | -154.7 | 0 | 0 | 0 | 0 | 112.9 | S924 T928 A942 A945 S946 | S924-C926 PolarHBondContact O-N 2.9Å; S924-C926 VanDerWaalsContact O-N 3.08Å; C926-T928 PolarHBondContact O-N 3.19Å; C926-A942 VanDerWaalsContact CB-O 3.28Å; C926-A942 WeakPolarHBondContact CB-O 3.35Å; C926-A945 HydrophobicContact CB-CB 4.45Å; C926-A945 WeakPolarHBondContact SG-CB 3.47Å; C926-S946 PolarHBondContact SG-N 3.22Å | ||
| 927 | F | 31.1 | Very low | 50.4 | Low | 55 Ų | 55 | 71.6 Ų | 71.6 | 24% | 0.241 | 40% | 0.396 | C | S | . | . | trans | -74.8 | 122.9 | -178.4 | -70 | -94.5 | 0 | 0 | 0 | 112.1 | S833 V925 F929 | S833-F927 WeakPolarHBondContact O-CE1 3.24Å; S833-F927 WeakPolarHBondContact O-CZ 3.47Å; V925-F927 HydrophobicContact CB-CE2 4.27Å; V925-F927 HydrophobicContact CG1-CD2 4.45Å; V925-F927 HydrophobicContact CG1-CE2 3.7Å; V925-F927 HydrophobicContact CG1-CZ 3.91Å; V925-F927 VanDerWaalsContact O-CD2 3.23Å; V925-F927 WeakPolarHBondContact O-CD2 3.34Å; V925-F927 WeakPolarHBondContact O-CE2 3.44Å; V925-F927 PolarHBondContact O-N 3.42Å; F927-F929 HydrophobicContact CB-CD2 4.33Å; F927-F929 HydrophobicContact CB-CE2 3.71Å; F927-F929 HydrophobicContact CB-CZ 4.2Å; F927-F929 WeakPolarHBondContact O-CD2 3.2Å | ||
| 928 | T | 39.3 | Very low | 53.4 | Low | 17 Ų | 17 | 63.8 Ų | 63.8 | 10% | 0.104 | 36% | 0.362 | C | S | . | . | trans | -86.8 | 116 | -179.5 | 56.2 | 0 | 0 | 0 | 0 | 110.8 | I838 C926 L939 | I838-T928 VanDerWaalsContact C-OG1 3.25Å; I838-T928 PolarHBondContact N-OG1 2.83Å; I838-T928 PolarHBondContact O-OG1 2.86Å; C926-T928 PolarHBondContact O-N 3.19Å; T928-L939 WeakPolarHBondContact CG2-O 3.45Å | ||
| 929 | F | 56.3 | Low | 56.3 | Low | 32 Ų | 32 | 57.1 Ų | 57.1 | 14% | 0.14 | 33% | 0.326 | C | S | . | . | trans | -109.8 | 129.9 | -177.4 | -67.2 | -92.9 | 0 | 0 | 0 | 111.4 | R778 L814 F927 | R778-F929 VanDerWaalsContact NH1-CG 3.31Å; L814-F929 HydrophobicContact CD2-CD1 4.29Å; F927-F929 HydrophobicContact CB-CD2 4.33Å; F927-F929 HydrophobicContact CB-CE2 3.71Å; F927-F929 HydrophobicContact CB-CZ 4.2Å; F927-F929 WeakPolarHBondContact O-CD2 3.2Å | ||
| 930 | G | 67.2 | Low | 58.6 | Low | 27 Ų | 27 | 48.3 Ų | 48.3 | 28% | 0.278 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 138.8 | -175.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | R778 M935 | R778-G930 WeakPolarHBondContact O-CA 3.4Å; G930-M935 VanDerWaalsContact C-SD 3.59Å |
| 931 | T | 83.6 | Confident | 60.5 | Low | 36 Ų | 36 | 45.3 Ų | 45.3 | 22% | 0.221 | 27% | 0.266 | C | S | . | . | trans | -99.9 | 126.5 | 177.9 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | D779 K781 G933 W934 | D779-T931 WeakPolarHBondContact OD1-CB 3.42Å; D779-T931 PolarHBondContact OD1-N 2.93Å; D779-T931 VanDerWaalsContact OD1-N 3.14Å; D779-T931 PolarHBondContact OD1-OG1 3.29Å; K781-T931 HydrophobicContact CD-CG2 4.04Å; K781-T931 WeakPolarHBondContact CD-OG1 3.44Å; K781-T931 PolarHBondContact NZ-OG1 3.46Å; T931-G933 PolarHBondContact O-N 2.92Å; T931-W934 WeakPolarHBondContact O-CB 3.26Å; T931-W934 PolarHBondContact O-N 3.02Å | ||
| 932 | L | 84.2 | Confident | 61.8 | Low | 24 Ų | 24 | 42.4 Ų | 42.4 | 13% | 0.126 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 135.4 | 178.7 | -68 | 177.5 | 0 | 0 | 0 | 113.5 | I838 W934 M935 Q1032 H1033 Q1036 | I838-L932 HydrophobicContact CD1-CD1 4.01Å; I838-L932 HydrophobicContact CD1-CD2 4.19Å; I838-L932 HydrophobicContact CD1-CG 4.13Å; I838-L932 HydrophobicContact CG2-CD2 4.33Å; L932-W934 VanDerWaalsContact C-N 3.3Å; L932-M935 HydrophobicContact CD2-SD 4.46Å; L932-Q1032 HydrophobicContact CB-CB 4.28Å; L932-H1033 WeakPolarHBondContact CD1-NE2 3.36Å; L932-Q1036 HydrophobicContact CD2-CB 4.26Å; L932-Q1036 HydrophobicContact CD2-CG 3.91Å |
| 933 | G | 88.2 | Confident | 63 | Low | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | -12.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T931 H970 Q1032 I1039 | T931-G933 PolarHBondContact O-N 2.92Å; G933-H970 PolarHBondContact O-CE1 3.31Å; G933-H970 VanDerWaalsContact O-CE1 3.24Å; G933-H970 PolarHBondContact O-NE2 2.95Å; G933-H970 VanDerWaalsContact O-NE2 3.1Å; G933-Q1032 PolarHBondContact N-O 2.96Å; G933-I1039 WeakPolarHBondContact O-CD1 3.36Å |
| 934 | W | 93.2 | Very high | 64.4 | Low | 24 Ų | 24 | 39.2 Ų | 39.2 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -117.2 | -6.5 | 179.2 | -55.7 | 89.1 | 0 | 0 | 0 | 113.6 | K781 P782 T931 L932 L959 L960 Y963 | K781-W934 HydrophobicContact CB-CD2 4.15Å; K781-W934 HydrophobicContact CB-CG 4.04Å; P782-W934 VanDerWaalsContact CD-CH2 3.4Å; P782-W934 HydrophobicContact CG-CH2 3.36Å; P782-W934 HydrophobicContact CG-CZ2 3.53Å; P782-W934 HydrophobicContact CG-CZ3 4.08Å; T931-W934 WeakPolarHBondContact O-CB 3.26Å; T931-W934 PolarHBondContact O-N 3.02Å; L932-W934 VanDerWaalsContact C-N 3.3Å; W934-L959 HydrophobicContact CE3-CB 3.74Å; W934-L959 HydrophobicContact CE3-CD1 4.25Å; W934-L959 HydrophobicContact CZ3-CB 3.76Å; W934-L960 HydrophobicContact CZ3-CD2 4.21Å; W934-L960 HydrophobicContact CZ3-CG 4.24Å; W934-Y963 AromaticContact CH2-CD2 3.89Å; W934-Y963 HydrophobicContact CH2-CD2 3.89Å; W934-Y963 HydrophobicContact CH2-CE2 4.49Å; W934-Y963 AromaticContact CH2-CG 3.94Å; W934-Y963 HydrophobicContact CH2-CG 3.94Å; W934-Y963 HydrophobicContact CZ2-CD2 4.49Å |
| 935 | M | 90.9 | Very high | 65.8 | Low | 14 Ų | 14 | 35.5 Ų | 35.5 | 7% | 0.069 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -81.1 | 135.3 | -178.4 | -63.7 | 164.6 | 65.3 | 0 | 0 | 111 | G930 L932 L939 Q1036 I1039 | G930-M935 VanDerWaalsContact C-SD 3.59Å; L932-M935 HydrophobicContact CD2-SD 4.46Å; M935-L939 HydrophobicContact CB-CB 4.41Å; M935-L939 HydrophobicContact CB-CD1 4.09Å; M935-L939 HydrophobicContact CE-CB 4.04Å; M935-L939 HydrophobicContact CG-CD1 4.45Å; M935-Q1036 PolarHBondContact O-NE2 2.87Å; M935-I1039 WeakPolarHBondContact O-CG2 3.25Å |
| 936 | A | 91.9 | Very high | 66.8 | Low | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | trans | -62.4 | 152.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E938 L939 I952 F955 | A936-E938 VanDerWaalsContact C-N 3.3Å; A936-E938 VanDerWaalsContact CB-OE2 3.31Å; A936-E938 WeakPolarHBondContact CB-OE2 3.47Å; A936-E938 PolarHBondContact O-N 2.83Å; A936-L939 HydrophobicContact CB-CD1 4.47Å; A936-L939 WeakPolarHBondContact O-CB 3.47Å; A936-L939 PolarHBondContact O-N 2.86Å; A936-I952 HydrophobicContact CB-CB 3.96Å; A936-I952 HydrophobicContact CB-CG2 3.97Å; A936-F955 HydrophobicContact CB-CB 3.79Å; A936-F955 HydrophobicContact CB-CD1 3.96Å; A936-F955 HydrophobicContact CB-CG 3.91Å | ||
| 937 | P | 89.5 | Confident | 68.4 | Low | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.013 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -59.7 | -35.6 | -173.8 | 22.7 | -33.3 | 0 | 0 | 0 | 113.7 | L939 C940 F955 I1039 R1042 | P937-L939 PolarHBondContact O-N 3.28Å; P937-C940 WeakPolarHBondContact O-CB 3.11Å; P937-C940 PolarHBondContact O-N 2.68Å; P937-F955 HydrophobicContact CG-CE2 4.5Å; P937-I1039 HydrophobicContact CB-CG2 4.07Å; P937-I1039 HydrophobicContact CG-CG2 4.42Å; P937-R1042 HydrophobicContact CB-CG 4.42Å |
| 938 | E | 86.9 | Confident | 70.3 | Confident | 15 Ų | 15 | 38.8 Ų | 38.8 | 7% | 0.07 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -66.7 | -13.4 | 177.4 | 67.8 | -91.3 | -144.3 | 0 | 0 | 114 | A936 C940 A945 I952 P1075 R1078 | A936-E938 VanDerWaalsContact C-N 3.3Å; A936-E938 VanDerWaalsContact CB-OE2 3.31Å; A936-E938 WeakPolarHBondContact CB-OE2 3.47Å; A936-E938 PolarHBondContact O-N 2.83Å; E938-C940 VanDerWaalsContact C-N 3.31Å; E938-A945 WeakPolarHBondContact O-CA 3.46Å; E938-A945 PolarHBondContact O-N 2.64Å; E938-I952 HydrophobicContact CG-CG2 3.89Å; E938-I952 VanDerWaalsContact OE1-CG2 3.27Å; E938-I952 WeakPolarHBondContact OE1-CG2 3.28Å; E938-P1075 HydrophobicContact CB-CG 4.26Å; E938-P1075 VanDerWaalsContact CD-CG 3.49Å; E938-P1075 HydrophobicContact CG-CG 4.07Å; E938-P1075 WeakPolarHBondContact OE1-CG 3.16Å; E938-R1078 IonicContact OE1-CZ 2.66Å; E938-R1078 IonicContact OE1-NH1 3.78Å; E938-R1078 PolarHBondContact OE1-NH1 2.95Å; E938-R1078 IonicContact OE1-NH2 3.18Å; E938-R1078 IonicContact OE2-CZ 3.6Å; E938-R1078 IonicContact OE2-NH1 3.29Å; E938-R1078 PolarHBondContact OE2-NH1 3.02Å; E938-R1078 IonicContact OE2-NH2 3.44Å; E938-R1078 PolarHBondContact OE2-NH2 3.4Å |
| 939 | L | 83.4 | Confident | 72.7 | Confident | 13 Ų | 13 | 40.8 Ų | 40.8 | 7% | 0.068 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -84.8 | -2.6 | 170.9 | -61.7 | 173.8 | 0 | 0 | 0 | 112.8 | T928 M935 A936 P937 I952 | T928-L939 WeakPolarHBondContact CG2-O 3.45Å; M935-L939 HydrophobicContact CB-CB 4.41Å; M935-L939 HydrophobicContact CB-CD1 4.09Å; M935-L939 HydrophobicContact CE-CB 4.04Å; M935-L939 HydrophobicContact CG-CD1 4.45Å; A936-L939 HydrophobicContact CB-CD1 4.47Å; A936-L939 WeakPolarHBondContact O-CB 3.47Å; A936-L939 PolarHBondContact O-N 2.86Å; P937-L939 PolarHBondContact O-N 3.28Å; L939-I952 HydrophobicContact CD1-CB 4.07Å; L939-I952 HydrophobicContact CD1-CD1 4.16Å; L939-I952 HydrophobicContact CD1-CG2 4.1Å; L939-I952 HydrophobicContact CD2-CD1 4.13Å; L939-I952 HydrophobicContact CD2-CG2 4.11Å; L939-I952 HydrophobicContact CG-CB 4.46Å; L939-I952 HydrophobicContact CG-CG2 3.93Å |
| 940 | C | 72.7 | Confident | 74.4 | Confident | 13 Ų | 13 | 40.6 Ų | 40.6 | 9% | 0.088 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -29.9 | 173.2 | -63.2 | 0 | 0 | 0 | 0 | 112.6 | P937 E938 A942 Q1036 A1040 | P937-C940 WeakPolarHBondContact O-CB 3.11Å; P937-C940 PolarHBondContact O-N 2.68Å; E938-C940 VanDerWaalsContact C-N 3.31Å; C940-A942 PolarHBondContact O-N 3.25Å; C940-Q1036 PolarHBondContact SG-NE2 3.07Å; C940-Q1036 VanDerWaalsContact SG-NE2 3.37Å; C940-A1040 HydrophobicContact CB-CB 3.86Å |
| 941 | D | 65.4 | Low | 75.6 | Confident | 57 Ų | 57 | 39.8 Ų | 39.8 | 31% | 0.305 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -81.3 | 110.2 | 176.6 | -72.1 | -35.6 | 0 | 0 | 0 | 110.6 | E943 S944 A945 R1042 | D941-E943 VanDerWaalsContact C-N 3.26Å; D941-E943 PolarHBondContact O-N 3.11Å; D941-S944 PolarHBondContact O-N 2.62Å; D941-A945 PolarHBondContact O-N 3.11Å; D941-R1042 IonicContact OD2-CZ 3.83Å; D941-R1042 IonicContact OD2-NE 2.84Å; D941-R1042 IonicContact OD2-NH2 2.75Å; D941-R1042 PolarHBondContact OD2-NH2 2.79Å |
| 942 | A | 51 | Low | 76.1 | Confident | 58 Ų | 58 | 38.3 Ų | 38.3 | 48% | 0.479 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -32.5 | -172 | 0 | 0 | 0 | 0 | 0 | 114.4 | C926 C940 | C926-A942 VanDerWaalsContact CB-O 3.28Å; C926-A942 WeakPolarHBondContact CB-O 3.35Å; C940-A942 PolarHBondContact O-N 3.25Å |
| 943 | E | 49.6 | Very low | 76.6 | Confident | 175 Ų | 175 | 37.2 Ų | 37.2 | 82% | 0.818 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | -39.8 | 174.7 | -66.2 | 163.8 | -154.3 | 0 | 0 | 111.7 | D941 S946 | D941-E943 VanDerWaalsContact C-N 3.26Å; D941-E943 PolarHBondContact O-N 3.11Å; E943-S946 PolarHBondContact O-OG 3.43Å |
| 944 | S | 53.7 | Low | 77 | Confident | 51 Ų | 51 | 37.4 Ų | 37.4 | 36% | 0.357 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -79 | -32.5 | -175.4 | -62.2 | 0 | 0 | 0 | 0 | 113.1 | D941 S946 Q947 | D941-S944 PolarHBondContact O-N 2.62Å; S944-S946 PolarHBondContact O-N 3.34Å; S944-Q947 PolarHBondContact O-N 3.11Å |
| 945 | A | 51.7 | Low | 77.2 | Confident | 9 Ų | 9 | 36.4 Ų | 36.4 | 7% | 0.074 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -65.9 | -9.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | C926 E938 D941 V948 | C926-A945 HydrophobicContact CB-CB 4.45Å; C926-A945 WeakPolarHBondContact SG-CB 3.47Å; E938-A945 WeakPolarHBondContact O-CA 3.46Å; E938-A945 PolarHBondContact O-N 2.64Å; D941-A945 PolarHBondContact O-N 3.11Å; A945-V948 WeakPolarHBondContact O-CG2 3.28Å |
| 946 | S | 47.2 | Very low | 77.4 | Confident | 71 Ų | 71 | 36 Ų | 36 | 50% | 0.497 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -61.9 | -39.7 | 165.8 | 61.3 | 0 | 0 | 0 | 0 | 112.1 | C926 E943 S944 V948 | C926-S946 PolarHBondContact SG-N 3.22Å; E943-S946 PolarHBondContact O-OG 3.43Å; S944-S946 PolarHBondContact O-N 3.34Å; S946-V948 PolarHBondContact O-N 3.44Å; S946-V948 VanDerWaalsContact O-N 3.16Å |
| 947 | Q | 60.3 | Low | 77.7 | Confident | 151 Ų | 151 | 36 Ų | 36 | 71% | 0.706 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -90.6 | 68.2 | 178.4 | -66.6 | -167.6 | -6.1 | 0 | 0 | 111.6 | S944 T949 | S944-Q947 PolarHBondContact O-N 3.11Å; Q947-T949 PolarHBondContact O-N 3.22Å |
| 948 | V | 71 | Confident | 78.1 | Confident | 24 Ų | 24 | 36 Ų | 36 | 15% | 0.145 | 21% | 0.208 | C | C | . | . | trans | -62.8 | 105.4 | 169.8 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | L818 A945 S946 I952 | L818-V948 WeakPolarHBondContact CD2-O 3.49Å; A945-V948 WeakPolarHBondContact O-CG2 3.28Å; S946-V948 PolarHBondContact O-N 3.44Å; S946-V948 VanDerWaalsContact O-N 3.16Å; V948-I952 HydrophobicContact CG1-CD1 3.83Å | ||
| 949 | T | 88.2 | Confident | 78.6 | Confident | 59 Ų | 59 | 35.2 Ų | 35.2 | 36% | 0.362 | 21% | 0.205 | S | C | . | . | trans | -114.3 | 165.3 | 176.5 | 69 | 0 | 0 | 0 | 0 | 112 | Q947 A951 I952 | Q947-T949 PolarHBondContact O-N 3.22Å; T949-A951 PolarHBondContact O-N 2.73Å; T949-A951 WeakPolarHBondContact OG1-CB 3.37Å; T949-A951 PolarHBondContact OG1-N 3.03Å; T949-I952 WeakPolarHBondContact O-CG1 3.35Å; T949-I952 PolarHBondContact O-N 2.99Å | ||
| 950 | C | 93 | Very high | 79.2 | Confident | 28 Ų | 28 | 34.6 Ų | 34.6 | 19% | 0.189 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -20.4 | 173.3 | -60 | 0 | 0 | 0 | 0 | 114.1 | H771 I952 D953 I954 | H771-C950 PolarHBondContact CE1-O 3.41Å; H771-C950 VanDerWaalsContact CE1-O 3.23Å; C950-I952 PolarHBondContact O-N 3.31Å; C950-D953 PolarHBondContact O-N 2.88Å; C950-I954 PolarHBondContact O-N 2.82Å |
| 951 | A | 92.6 | Very high | 80.3 | Confident | 11 Ų | 11 | 34 Ų | 34 | 9% | 0.091 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.3 | -20.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | T949 I954 F955 P1075 R1078 | T949-A951 PolarHBondContact O-N 2.73Å; T949-A951 WeakPolarHBondContact OG1-CB 3.37Å; T949-A951 PolarHBondContact OG1-N 3.03Å; A951-I954 PolarHBondContact O-N 2.86Å; A951-F955 PolarHBondContact O-N 2.9Å; A951-P1075 HydrophobicContact CB-CB 3.75Å; A951-R1078 PolarHBondContact O-NH1 3.48Å |
| 952 | I | 93.3 | Very high | 81.7 | Confident | 5 Ų | 5 | 31.3 Ų | 31.3 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.4 | -38.2 | 175.4 | 69 | -168.9 | 0 | 0 | 0 | 111.8 | V776 R778 A936 E938 L939 V948 T949 C950 I954 F955 A956 | V776-I952 HydrophobicContact CG1-CD1 3.78Å; V776-I952 HydrophobicContact CG1-CG1 3.74Å; R778-I952 HydrophobicContact CB-CD1 4.46Å; R778-I952 HydrophobicContact CG-CD1 4.01Å; A936-I952 HydrophobicContact CB-CB 3.96Å; A936-I952 HydrophobicContact CB-CG2 3.97Å; E938-I952 HydrophobicContact CG-CG2 3.89Å; E938-I952 VanDerWaalsContact OE1-CG2 3.27Å; E938-I952 WeakPolarHBondContact OE1-CG2 3.28Å; L939-I952 HydrophobicContact CD1-CB 4.07Å; L939-I952 HydrophobicContact CD1-CD1 4.16Å; L939-I952 HydrophobicContact CD1-CG2 4.1Å; L939-I952 HydrophobicContact CD2-CD1 4.13Å; L939-I952 HydrophobicContact CD2-CG2 4.11Å; L939-I952 HydrophobicContact CG-CB 4.46Å; L939-I952 HydrophobicContact CG-CG2 3.93Å; V948-I952 HydrophobicContact CG1-CD1 3.83Å; T949-I952 WeakPolarHBondContact O-CG1 3.35Å; T949-I952 PolarHBondContact O-N 2.99Å; C950-I952 PolarHBondContact O-N 3.31Å; I952-I954 VanDerWaalsContact C-N 3.31Å; I952-F955 PolarHBondContact O-N 3.39Å; I952-A956 PolarHBondContact O-N 3.38Å; I952-A956 VanDerWaalsContact O-N 3.14Å |
| 953 | D | 95.4 | Very high | 83.8 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.8 | -35 | 175.4 | -73 | -17 | 0 | 0 | 0 | 110.6 | V767 H771 V776 H777 R778 L780 C950 F955 A956 C957 | V767-D953 HydrophobicContact CG1-CB 4.15Å; H771-D953 IonicContact CD2-OD2 3.73Å; H771-D953 IonicContact CE1-OD2 3.61Å; H771-D953 WeakPolarHBondContact NE2-CB 3.49Å; H771-D953 IonicContact NE2-OD2 3.58Å; H771-D953 PolarHBondContact NE2-OD2 2.78Å; V776-D953 WeakPolarHBondContact CA-OD2 3.32Å; V776-D953 VanDerWaalsContact CG1-OD2 3.27Å; V776-D953 WeakPolarHBondContact CG1-OD2 3.27Å; H777-D953 PolarHBondContact N-OD1 3.24Å; H777-D953 PolarHBondContact N-OD2 2.91Å; R778-D953 PolarHBondContact N-OD1 3Å; L780-D953 HydrophobicContact CD1-CB 3.65Å; C950-D953 PolarHBondContact O-N 2.88Å; D953-F955 VanDerWaalsContact C-N 3.35Å; D953-A956 PolarHBondContact O-N 3.29Å; D953-C957 WeakPolarHBondContact O-CB 3.34Å; D953-C957 PolarHBondContact O-N 2.8Å; D953-C957 PolarHBondContact O-SG 3.34Å; D953-C957 VanDerWaalsContact O-SG 3.34Å |
| 954 | I | 96.7 | Very high | 85.8 | Confident | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.7 | -42.8 | 176.3 | -52.7 | -57.7 | 0 | 0 | 0 | 111.1 | C950 A951 I952 C957 G958 M1070 R1078 P1079 A1081 I1084 | C950-I954 PolarHBondContact O-N 2.82Å; A951-I954 PolarHBondContact O-N 2.86Å; I952-I954 VanDerWaalsContact C-N 3.31Å; I954-C957 CarbonylContact O-C 3.33Å; I954-C957 WeakPolarHBondContact O-CB 3.46Å; I954-C957 PolarHBondContact O-N 3.01Å; I954-G958 PolarHBondContact O-N 3.24Å; I954-M1070 HydrophobicContact CG2-CB 4.02Å; I954-M1070 HydrophobicContact CG2-CE 4.24Å; I954-M1070 HydrophobicContact CG2-CG 3.85Å; I954-R1078 HydrophobicContact CB-CB 4.49Å; I954-R1078 HydrophobicContact CG2-CB 4.11Å; I954-P1079 WeakPolarHBondContact CG1-O 3.46Å; I954-P1079 WeakPolarHBondContact CG2-O 3.45Å; I954-A1081 HydrophobicContact CD1-CB 3.72Å; I954-A1081 VanDerWaalsContact CD1-N 3.34Å; I954-I1084 HydrophobicContact CD1-CD1 4.32Å; I954-I1084 HydrophobicContact CG2-CD1 4.11Å |
| 955 | F | 96.4 | Very high | 87.6 | Confident | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.009 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.1 | -47 | 176.1 | -169.9 | -89.2 | 0 | 0 | 0 | 111.2 | A936 P937 A951 I952 D953 C957 G958 L959 Y972 I1039 M1070 L1071 | A936-F955 HydrophobicContact CB-CB 3.79Å; A936-F955 HydrophobicContact CB-CD1 3.96Å; A936-F955 HydrophobicContact CB-CG 3.91Å; P937-F955 HydrophobicContact CG-CE2 4.5Å; A951-F955 PolarHBondContact O-N 2.9Å; I952-F955 PolarHBondContact O-N 3.39Å; D953-F955 VanDerWaalsContact C-N 3.35Å; F955-C957 VanDerWaalsContact C-N 3.33Å; F955-C957 PolarHBondContact O-N 2.97Å; F955-G958 WeakPolarHBondContact O-CA 3.13Å; F955-G958 PolarHBondContact O-N 3.38Å; F955-L959 HydrophobicContact CD1-CD1 4.05Å; F955-L959 HydrophobicContact CD1-CG 4.34Å; F955-L959 HydrophobicContact CE1-CD1 3.85Å; F955-L959 HydrophobicContact CE1-CD2 4.43Å; F955-L959 HydrophobicContact CE1-CG 4.2Å; F955-L959 PolarHBondContact O-N 3.05Å; F955-Y972 HydrophobicContact CZ-CE2 4.47Å; F955-I1039 HydrophobicContact CE1-CD1 4.1Å; F955-I1039 HydrophobicContact CE1-CG1 4.14Å; F955-I1039 HydrophobicContact CE1-CG2 3.74Å; F955-I1039 HydrophobicContact CZ-CG1 4.15Å; F955-I1039 HydrophobicContact CZ-CG2 3.69Å; F955-M1070 WeakPolarHBondContact CA-O 3.38Å; F955-L1071 HydrophobicContact CD1-CD2 4.25Å; F955-L1071 HydrophobicContact CD2-CD2 3.88Å; F955-L1071 HydrophobicContact CE1-CD2 4.2Å; F955-L1071 HydrophobicContact CE2-CB 4.21Å; F955-L1071 HydrophobicContact CE2-CD2 3.81Å; F955-L1071 HydrophobicContact CG-CD2 4.1Å; F955-L1071 HydrophobicContact CZ-CD2 3.98Å; F955-L1071 WeakPolarHBondContact O-CD2 3.32Å |
| 956 | A | 96.2 | Very high | 89.4 | Confident | 6 Ų | 6 | 20.9 Ų | 20.9 | 5% | 0.05 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.7 | -37.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L780 I952 D953 G958 L959 L960 | L780-A956 HydrophobicContact CB-CB 3.89Å; I952-A956 PolarHBondContact O-N 3.38Å; I952-A956 VanDerWaalsContact O-N 3.14Å; D953-A956 PolarHBondContact O-N 3.29Å; A956-G958 VanDerWaalsContact C-N 3.32Å; A956-G958 PolarHBondContact O-N 3.34Å; A956-L959 PolarHBondContact O-N 3.34Å; A956-L960 WeakPolarHBondContact O-CB 3.32Å; A956-L960 WeakPolarHBondContact O-CG 3.45Å; A956-L960 PolarHBondContact O-N 2.91Å |
| 957 | C | 97.7 | Very high | 91.3 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.014 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.3 | -33.7 | 170.8 | -78.9 | 0 | 0 | 0 | 0 | 112.8 | F763 D953 I954 F955 L960 A961 M1070 | F763-C957 HydrophobicContact CE2-CB 3.87Å; D953-C957 WeakPolarHBondContact O-CB 3.34Å; D953-C957 PolarHBondContact O-N 2.8Å; D953-C957 PolarHBondContact O-SG 3.34Å; D953-C957 VanDerWaalsContact O-SG 3.34Å; I954-C957 CarbonylContact O-C 3.33Å; I954-C957 WeakPolarHBondContact O-CB 3.46Å; I954-C957 PolarHBondContact O-N 3.01Å; F955-C957 VanDerWaalsContact C-N 3.33Å; F955-C957 PolarHBondContact O-N 2.97Å; C957-L960 PolarHBondContact O-N 2.97Å; C957-A961 VanDerWaalsContact O-CB 3.28Å; C957-A961 WeakPolarHBondContact O-CB 3.42Å; C957-A961 PolarHBondContact O-N 2.83Å; C957-M1070 HydrophobicContact CB-CE 3.4Å |
| 958 | G | 97.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67.3 | -43.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I954 F955 A956 A961 Y962 | I954-G958 PolarHBondContact O-N 3.24Å; F955-G958 WeakPolarHBondContact O-CA 3.13Å; F955-G958 PolarHBondContact O-N 3.38Å; A956-G958 VanDerWaalsContact C-N 3.32Å; A956-G958 PolarHBondContact O-N 3.34Å; G958-A961 PolarHBondContact O-N 2.97Å; G958-Y962 PolarHBondContact O-N 2.75Å |
| 959 | L | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.2 | -42.4 | 172.8 | -62 | 177.7 | 0 | 0 | 0 | 111.5 | W934 F955 A956 Y962 Y963 P971 Y972 I1039 L1071 | W934-L959 HydrophobicContact CE3-CB 3.74Å; W934-L959 HydrophobicContact CE3-CD1 4.25Å; W934-L959 HydrophobicContact CZ3-CB 3.76Å; F955-L959 HydrophobicContact CD1-CD1 4.05Å; F955-L959 HydrophobicContact CD1-CG 4.34Å; F955-L959 HydrophobicContact CE1-CD1 3.85Å; F955-L959 HydrophobicContact CE1-CD2 4.43Å; F955-L959 HydrophobicContact CE1-CG 4.2Å; F955-L959 PolarHBondContact O-N 3.05Å; A956-L959 PolarHBondContact O-N 3.34Å; L959-Y962 PolarHBondContact O-N 3.3Å; L959-Y963 VanDerWaalsContact O-CB 3.29Å; L959-Y963 WeakPolarHBondContact O-CB 3.4Å; L959-Y963 PolarHBondContact O-N 3.34Å; L959-P971 HydrophobicContact CD2-CG 3.67Å; L959-Y972 HydrophobicContact CD2-CD2 4.21Å; L959-Y972 HydrophobicContact CD2-CE2 4.11Å; L959-I1039 HydrophobicContact CD1-CD1 4.25Å; L959-L1071 HydrophobicContact CD2-CD1 4.23Å; L959-L1071 HydrophobicContact CD2-CD2 3.63Å; L959-L1071 HydrophobicContact CG-CD2 3.78Å |
| 960 | L | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 175.1 | -81.7 | 168.8 | 0 | 0 | 0 | 112.4 | L720 F763 L780 P782 I785 W934 A956 C957 Y962 Y963 V964 | L720-L960 HydrophobicContact CD2-CD2 4.48Å; F763-L960 HydrophobicContact CE1-CB 4.05Å; F763-L960 HydrophobicContact CE2-CB 4.23Å; F763-L960 HydrophobicContact CZ-CB 3.63Å; L780-L960 HydrophobicContact CB-CD1 3.99Å; P782-L960 HydrophobicContact CG-CD2 3.83Å; I785-L960 HydrophobicContact CD1-CD1 4.13Å; I785-L960 HydrophobicContact CG1-CD1 4.09Å; I785-L960 HydrophobicContact CG1-CD2 4.07Å; W934-L960 HydrophobicContact CZ3-CD2 4.21Å; W934-L960 HydrophobicContact CZ3-CG 4.24Å; A956-L960 WeakPolarHBondContact O-CB 3.32Å; A956-L960 WeakPolarHBondContact O-CG 3.45Å; A956-L960 PolarHBondContact O-N 2.91Å; C957-L960 PolarHBondContact O-N 2.97Å; L960-Y962 PolarHBondContact O-N 3.29Å; L960-Y963 PolarHBondContact O-N 2.77Å; L960-V964 WeakPolarHBondContact O-CB 3.39Å; L960-V964 VanDerWaalsContact O-CG2 3.3Å; L960-V964 WeakPolarHBondContact O-CG2 3.37Å; L960-V964 PolarHBondContact O-N 2.86Å |
| 961 | A | 96.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.008 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.6 | -41.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I760 F763 C957 G958 V964 L965 I1067 | I760-A961 HydrophobicContact CD1-CB 3.79Å; I760-A961 HydrophobicContact CG1-CB 4.01Å; I760-A961 HydrophobicContact CG2-CB 4.12Å; F763-A961 HydrophobicContact CZ-CB 4.37Å; C957-A961 VanDerWaalsContact O-CB 3.28Å; C957-A961 WeakPolarHBondContact O-CB 3.42Å; C957-A961 PolarHBondContact O-N 2.83Å; G958-A961 PolarHBondContact O-N 2.97Å; A961-V964 PolarHBondContact O-N 3.46Å; A961-L965 WeakPolarHBondContact O-CG 3.48Å; A961-L965 PolarHBondContact O-N 2.99Å; A961-I1067 HydrophobicContact CB-CD1 3.87Å; A961-I1067 HydrophobicContact CB-CG1 3.86Å |
| 962 | Y | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.6 | -47.7 | 171 | -174 | -83.3 | 0 | 0 | 0 | 112 | G958 L959 L960 V964 L965 T966 K969 H970 P971 N1046 L1047 L1050 | G958-Y962 PolarHBondContact O-N 2.75Å; L959-Y962 PolarHBondContact O-N 3.3Å; L960-Y962 PolarHBondContact O-N 3.29Å; Y962-V964 VanDerWaalsContact C-N 3.28Å; Y962-V964 PolarHBondContact O-N 3.24Å; Y962-L965 PolarHBondContact O-N 3.02Å; Y962-T966 HydrophobicContact CD1-CG2 3.94Å; Y962-T966 HydrophobicContact CD2-CG2 4.34Å; Y962-T966 HydrophobicContact CE1-CG2 3.66Å; Y962-T966 HydrophobicContact CE2-CG2 4.08Å; Y962-T966 HydrophobicContact CG-CG2 4.3Å; Y962-T966 WeakPolarHBondContact O-CB 3.36Å; Y962-T966 WeakPolarHBondContact O-CG2 3.5Å; Y962-T966 PolarHBondContact O-N 3.19Å; Y962-T966 PolarHBondContact O-OG1 3.44Å; Y962-K969 HydrophobicContact CE1-CB 4Å; Y962-H970 VanDerWaalsContact CE1-C 3.48Å; Y962-P971 HydrophobicContact CD1-CB 4.21Å; Y962-P971 VanDerWaalsContact CD1-CD 3.46Å; Y962-P971 HydrophobicContact CD1-CG 4.26Å; Y962-P971 HydrophobicContact CD2-CB 4.01Å; Y962-P971 HydrophobicContact CD2-CG 4.47Å; Y962-P971 HydrophobicContact CE1-CB 4.1Å; Y962-P971 HydrophobicContact CE2-CB 3.91Å; Y962-P971 HydrophobicContact CG-CB 4.13Å; Y962-P971 HydrophobicContact CG-CG 4.17Å; Y962-N1046 WeakPolarHBondContact CE2-O 3.46Å; Y962-N1046 PolarHBondContact OH-O 2.89Å; Y962-L1047 HydrophobicContact CD2-CD2 3.62Å; Y962-L1047 HydrophobicContact CE2-CD2 3.77Å; Y962-L1050 HydrophobicContact CD2-CD1 4Å; Y962-L1050 HydrophobicContact CD2-CD2 4.16Å; Y962-L1050 HydrophobicContact CD2-CG 4.08Å; Y962-L1050 HydrophobicContact CE2-CD1 4.38Å; Y962-L1050 HydrophobicContact CE2-CD2 4.4Å; Y962-L1050 HydrophobicContact CE2-CG 4.1Å |
| 963 | Y | 93.9 | Very high | 93.1 | Very high | 16 Ų | 16 | 16.2 Ų | 16.2 | 6% | 0.063 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.1 | -37.6 | -179.4 | -179 | -93.2 | 0 | 0 | 0 | 112.3 | N721 L724 P782 W934 L959 L960 Y967 G968 K969 | N721-Y963 PolarHBondContact OD1-OH 2.89Å; L724-Y963 HydrophobicContact CB-CE1 4.35Å; L724-Y963 HydrophobicContact CD1-CD1 3.82Å; L724-Y963 HydrophobicContact CD1-CE1 3.58Å; P782-Y963 HydrophobicContact CB-CD1 4.16Å; P782-Y963 HydrophobicContact CB-CE1 3.6Å; P782-Y963 HydrophobicContact CG-CD1 3.62Å; P782-Y963 HydrophobicContact CG-CD2 4.44Å; P782-Y963 HydrophobicContact CG-CE1 3.47Å; P782-Y963 VanDerWaalsContact CG-CE1 3.47Å; P782-Y963 HydrophobicContact CG-CE2 4.32Å; P782-Y963 HydrophobicContact CG-CG 4.13Å; W934-Y963 AromaticContact CH2-CD2 3.89Å; W934-Y963 HydrophobicContact CH2-CD2 3.89Å; W934-Y963 HydrophobicContact CH2-CE2 4.49Å; W934-Y963 AromaticContact CH2-CG 3.94Å; W934-Y963 HydrophobicContact CH2-CG 3.94Å; W934-Y963 HydrophobicContact CZ2-CD2 4.49Å; L959-Y963 VanDerWaalsContact O-CB 3.29Å; L959-Y963 WeakPolarHBondContact O-CB 3.4Å; L959-Y963 PolarHBondContact O-N 3.34Å; L960-Y963 PolarHBondContact O-N 2.77Å; Y963-Y967 PolarHBondContact O-N 3.46Å; Y963-G968 VanDerWaalsContact CE2-CA 3.47Å; Y963-G968 VanDerWaalsContact CE2-O 3.28Å; Y963-G968 WeakPolarHBondContact CE2-O 3.37Å; Y963-G968 PolarHBondContact O-N 2.85Å; Y963-K969 WeakPolarHBondContact CA-O 3.28Å; Y963-K969 WeakPolarHBondContact CD2-O 3.47Å |
| 964 | V | 92.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.6 | -52 | 174.6 | 168.5 | 0 | 0 | 0 | 0 | 111.8 | L720 P756 I759 I760 F763 L960 A961 Y962 T966 Y967 | L720-V964 HydrophobicContact CD1-CG2 4.22Å; L720-V964 HydrophobicContact CD2-CG2 3.65Å; L720-V964 HydrophobicContact CG-CG2 4.46Å; P756-V964 HydrophobicContact CB-CG1 3.79Å; P756-V964 WeakPolarHBondContact O-CG1 3.49Å; I759-V964 HydrophobicContact CB-CG1 4.14Å; I759-V964 HydrophobicContact CD1-CG1 4.47Å; I759-V964 HydrophobicContact CG2-CG1 4.03Å; I759-V964 HydrophobicContact CG2-CG2 3.87Å; I760-V964 HydrophobicContact CD1-CB 4.34Å; I760-V964 HydrophobicContact CD1-CG1 4.15Å; I760-V964 HydrophobicContact CG1-CB 4.23Å; I760-V964 HydrophobicContact CG1-CG1 4.04Å; F763-V964 HydrophobicContact CE1-CG2 4.49Å; L960-V964 WeakPolarHBondContact O-CB 3.39Å; L960-V964 VanDerWaalsContact O-CG2 3.3Å; L960-V964 WeakPolarHBondContact O-CG2 3.37Å; L960-V964 PolarHBondContact O-N 2.86Å; A961-V964 PolarHBondContact O-N 3.46Å; Y962-V964 VanDerWaalsContact C-N 3.28Å; Y962-V964 PolarHBondContact O-N 3.24Å; V964-T966 VanDerWaalsContact C-N 3.3Å; V964-T966 PolarHBondContact O-N 2.84Å; V964-Y967 PolarHBondContact O-N 3.23Å |
| 965 | L | 90.7 | Very high | 89.3 | Confident | 43 Ų | 43 | 19.5 Ų | 19.5 | 23% | 0.225 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.3 | -28.8 | -177.8 | -73.2 | 164.1 | 0 | 0 | 0 | 113.6 | P756 I760 A961 Y962 L1050 A1063 I1067 | P756-L965 HydrophobicContact CB-CD2 3.83Å; I760-L965 HydrophobicContact CD1-CD1 3.91Å; I760-L965 HydrophobicContact CD1-CD2 4.38Å; I760-L965 HydrophobicContact CD1-CG 3.79Å; A961-L965 WeakPolarHBondContact O-CG 3.48Å; A961-L965 PolarHBondContact O-N 2.99Å; Y962-L965 PolarHBondContact O-N 3.02Å; L965-L1050 HydrophobicContact CB-CD2 3.82Å; L965-L1050 HydrophobicContact CD1-CD2 4.21Å; L965-A1063 HydrophobicContact CD1-CB 3.63Å; L965-I1067 HydrophobicContact CD1-CD1 3.77Å |
| 966 | T | 89.6 | Confident | 86.6 | Confident | 15 Ų | 15 | 23.6 Ų | 23.6 | 9% | 0.092 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 8 | 177.7 | 63.2 | 0 | 0 | 0 | 0 | 113.8 | Y962 V964 G968 K969 I1049 L1050 | Y962-T966 HydrophobicContact CD1-CG2 3.94Å; Y962-T966 HydrophobicContact CD2-CG2 4.34Å; Y962-T966 HydrophobicContact CE1-CG2 3.66Å; Y962-T966 HydrophobicContact CE2-CG2 4.08Å; Y962-T966 HydrophobicContact CG-CG2 4.3Å; Y962-T966 WeakPolarHBondContact O-CB 3.36Å; Y962-T966 WeakPolarHBondContact O-CG2 3.5Å; Y962-T966 PolarHBondContact O-N 3.19Å; Y962-T966 PolarHBondContact O-OG1 3.44Å; V964-T966 VanDerWaalsContact C-N 3.3Å; V964-T966 PolarHBondContact O-N 2.84Å; T966-G968 VanDerWaalsContact C-N 3.26Å; T966-G968 PolarHBondContact O-N 2.84Å; T966-K969 WeakPolarHBondContact OG1-CB 3.48Å; T966-K969 PolarHBondContact OG1-N 3.07Å; T966-K969 PolarHBondContact OG1-O 3.32Å; T966-I1049 HydrophobicContact CG2-CB 4.47Å; T966-I1049 HydrophobicContact CG2-CG2 3.94Å; T966-L1050 HydrophobicContact CG2-CD2 3.89Å |
| 967 | Y | 87.9 | Confident | 83.8 | Confident | 80 Ų | 80 | 31.9 Ų | 31.9 | 31% | 0.314 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 38.5 | 179.8 | -60.6 | -95 | 0 | 0 | 0 | 114.3 | L724 L727 A746 L749 P756 Y963 V964 | L724-Y967 HydrophobicContact CD2-CD1 3.76Å; L724-Y967 HydrophobicContact CD2-CG 4.34Å; L727-Y967 HydrophobicContact CD2-CD1 3.97Å; A746-Y967 HydrophobicContact CB-CE1 4.33Å; L749-Y967 HydrophobicContact CD1-CD1 4.42Å; L749-Y967 HydrophobicContact CD1-CE1 4.23Å; P756-Y967 HydrophobicContact CG-CE1 4.31Å; P756-Y967 HydrophobicContact CG-CE2 4.49Å; P756-Y967 WeakPolarHBondContact CG-OH 3.25Å; Y963-Y967 PolarHBondContact O-N 3.46Å; V964-Y967 PolarHBondContact O-N 3.23Å |
| 968 | G | 88 | Confident | 81 | Confident | 18 Ų | 18 | 37.3 Ų | 37.3 | 19% | 0.186 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 122.6 | 0.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117 | Y963 T966 | Y963-G968 VanDerWaalsContact CE2-CA 3.47Å; Y963-G968 VanDerWaalsContact CE2-O 3.28Å; Y963-G968 WeakPolarHBondContact CE2-O 3.37Å; Y963-G968 PolarHBondContact O-N 2.85Å; T966-G968 VanDerWaalsContact C-N 3.26Å; T966-G968 PolarHBondContact O-N 2.84Å |
| 969 | K | 90.2 | Very high | 78.1 | Confident | 99 Ų | 99 | 41.3 Ų | 41.3 | 43% | 0.43 | 21% | 0.213 | S | C | . | . | trans | -80.5 | 165.1 | 174.6 | -51.5 | 178.6 | -172.1 | 172.1 | 0 | 111 | Y962 Y963 T966 I1049 | Y962-K969 HydrophobicContact CE1-CB 4Å; Y963-K969 WeakPolarHBondContact CA-O 3.28Å; Y963-K969 WeakPolarHBondContact CD2-O 3.47Å; T966-K969 WeakPolarHBondContact OG1-CB 3.48Å; T966-K969 PolarHBondContact OG1-N 3.07Å; T966-K969 PolarHBondContact OG1-O 3.32Å; K969-I1049 HydrophobicContact CD-CD1 3.73Å; K969-I1049 HydrophobicContact CD-CG2 4.19Å | ||
| 970 | H | 92.7 | Very high | 75 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -128.3 | 140 | 174.4 | -167.7 | -99.7 | 0 | 0 | 0 | 109.4 | G933 Y962 Y972 D973 R1035 | G933-H970 PolarHBondContact O-CE1 3.31Å; G933-H970 VanDerWaalsContact O-CE1 3.24Å; G933-H970 PolarHBondContact O-NE2 2.95Å; G933-H970 VanDerWaalsContact O-NE2 3.1Å; Y962-H970 VanDerWaalsContact CE1-C 3.48Å; H970-Y972 AromaticContact CE1-CD2 3.9Å; H970-Y972 PolarHBondContact O-N 3.01Å; H970-D973 WeakPolarHBondContact CB-OD2 3.16Å; H970-D973 PolarHBondContact N-OD2 3.38Å; H970-D973 WeakPolarHBondContact O-CB 3.25Å; H970-D973 PolarHBondContact O-N 3.44Å; H970-R1035 WeakPolarHBondContact ND1-CD 3.4Å; H970-R1035 WeakPolarHBondContact ND1-CG 3.02Å | ||
| 971 | P | 92.7 | Very high | 72.1 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -12.3 | -168.3 | 26.4 | -33.4 | 0 | 0 | 0 | 113.7 | L959 Y962 P1045 N1046 L1047 L1071 | L959-P971 HydrophobicContact CD2-CG 3.67Å; Y962-P971 HydrophobicContact CD1-CB 4.21Å; Y962-P971 VanDerWaalsContact CD1-CD 3.46Å; Y962-P971 HydrophobicContact CD1-CG 4.26Å; Y962-P971 HydrophobicContact CD2-CB 4.01Å; Y962-P971 HydrophobicContact CD2-CG 4.47Å; Y962-P971 HydrophobicContact CE1-CB 4.1Å; Y962-P971 HydrophobicContact CE2-CB 3.91Å; Y962-P971 HydrophobicContact CG-CB 4.13Å; Y962-P971 HydrophobicContact CG-CG 4.17Å; P971-P1045 HydrophobicContact CB-CB 3.76Å; P971-P1045 HydrophobicContact CG-CB 4.29Å; P971-N1046 WeakPolarHBondContact O-CB 3.48Å; P971-N1046 PolarHBondContact O-N 2.83Å; P971-L1047 HydrophobicContact CB-CD2 4.15Å; P971-L1071 HydrophobicContact CG-CD1 4.05Å |
| 972 | Y | 91 | Very high | 69.1 | Low | 11 Ų | 11 | 58 Ų | 58 | 4% | 0.043 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 2 | 177.3 | -67.8 | -73.7 | 0 | 0 | 0 | 114.8 | F955 L959 H970 C974 A1038 I1039 R1043 P1045 | F955-Y972 HydrophobicContact CZ-CE2 4.47Å; L959-Y972 HydrophobicContact CD2-CD2 4.21Å; L959-Y972 HydrophobicContact CD2-CE2 4.11Å; H970-Y972 AromaticContact CE1-CD2 3.9Å; H970-Y972 PolarHBondContact O-N 3.01Å; Y972-C974 PolarHBondContact O-N 3.1Å; Y972-A1038 HydrophobicContact CD1-CB 3.53Å; Y972-A1038 HydrophobicContact CE1-CB 4.24Å; Y972-A1038 HydrophobicContact CG-CB 4.1Å; Y972-I1039 HydrophobicContact CD2-CD1 4.19Å; Y972-I1039 HydrophobicContact CD2-CG1 3.71Å; Y972-I1039 HydrophobicContact CE2-CD1 4.3Å; Y972-I1039 HydrophobicContact CE2-CG1 3.54Å; Y972-I1039 HydrophobicContact CG-CG1 4.3Å; Y972-R1043 HydrophobicContact CE1-CB 4.36Å; Y972-R1043 VanDerWaalsContact CE1-O 3.29Å; Y972-R1043 WeakPolarHBondContact CE1-O 3.35Å; Y972-R1043 PolarHBondContact OH-O 3.13Å; Y972-R1043 VanDerWaalsContact OH-O 3.08Å; Y972-P1045 HydrophobicContact CE1-CB 4.4Å; Y972-P1045 HydrophobicContact CE2-CB 4.23Å |
| 973 | D | 81.8 | Confident | 66.4 | Low | 42 Ų | 42 | 63.8 Ų | 63.8 | 23% | 0.225 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -9.3 | 179.9 | -74.1 | -34.4 | 0 | 0 | 0 | 114.2 | H970 R1031 R1035 | H970-D973 WeakPolarHBondContact CB-OD2 3.16Å; H970-D973 PolarHBondContact N-OD2 3.38Å; H970-D973 WeakPolarHBondContact O-CB 3.25Å; H970-D973 PolarHBondContact O-N 3.44Å; D973-R1031 VanDerWaalsContact CG-NH2 3.29Å; D973-R1031 IonicContact OD1-CZ 3.29Å; D973-R1031 IonicContact OD1-NE 3.51Å; D973-R1031 PolarHBondContact OD1-NE 3.36Å; D973-R1031 IonicContact OD1-NH2 2.67Å; D973-R1031 IonicContact OD2-CZ 3.83Å; D973-R1031 IonicContact OD2-NE 3.46Å; D973-R1031 IonicContact OD2-NH2 3.25Å; D973-R1031 PolarHBondContact OD2-NH2 2.52Å; D973-R1035 VanDerWaalsContact CG-NH2 3.3Å; D973-R1035 IonicContact OD1-CZ 3.24Å; D973-R1035 VanDerWaalsContact OD1-CZ 3.25Å; D973-R1035 IonicContact OD1-NE 3.71Å; D973-R1035 PolarHBondContact OD1-NE 2.83Å; D973-R1035 IonicContact OD1-NH2 2.81Å; D973-R1035 PolarHBondContact OD1-NH2 2.84Å; D973-R1035 IonicContact OD2-CZ 2.79Å; D973-R1035 IonicContact OD2-NE 3.87Å; D973-R1035 IonicContact OD2-NH2 2.8Å; D973-R1035 PolarHBondContact OD2-NH2 2.85Å |
| 974 | C | 61.5 | Low | 63.8 | Low | 52 Ų | 52 | 68.2 Ų | 68.2 | 35% | 0.351 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -7.1 | -166.1 | -58.1 | 0 | 0 | 0 | 0 | 115.5 | Y972 S976 N1046 | Y972-C974 PolarHBondContact O-N 3.1Å; C974-S976 PolarHBondContact O-N 3.35Å; C974-N1046 HydrophobicContact CB-CB 4.31Å |
| 975 | C | 50.9 | Low | 61 | Low | 22 Ų | 22 | 72.1 Ų | 72.1 | 15% | 0.149 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -7.2 | -171.1 | -63 | 0 | 0 | 0 | 0 | 115.3 | K977 E978 | C975-K977 PolarHBondContact O-N 2.95Å; C975-K977 VanDerWaalsContact O-N 3.16Å; C975-E978 PolarHBondContact O-N 2.88Å; C975-E978 VanDerWaalsContact O-N 3.12Å |
| 976 | S | 39.1 | Very low | 58.5 | Low | 88 Ų | 88 | 77.1 Ų | 77.1 | 62% | 0.615 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.6 | -23.1 | 180 | 55.1 | 0 | 0 | 0 | 0 | 114 | C974 | C974-S976 PolarHBondContact O-N 3.35Å |
| 977 | K | 37.6 | Very low | 56.1 | Low | 180 Ų | 180 | 81.9 Ų | 81.9 | 78% | 0.783 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -74.8 | -27.9 | 175.7 | -68.4 | -175.2 | 179 | 179 | 0 | 113.9 | C975 | C975-K977 PolarHBondContact O-N 2.95Å; C975-K977 VanDerWaalsContact O-N 3.16Å |
| 978 | E | 38.2 | Very low | 53.6 | Low | 117 Ų | 117 | 82.6 Ų | 82.6 | 55% | 0.547 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -86.9 | -26 | -175.8 | -67.3 | -152.6 | 125.6 | 0 | 0 | 114 | C975 N980 K981 F982 | C975-E978 PolarHBondContact O-N 2.88Å; C975-E978 VanDerWaalsContact O-N 3.12Å; E978-N980 VanDerWaalsContact C-N 3.28Å; E978-N980 PolarHBondContact O-N 2.67Å; E978-K981 WeakPolarHBondContact O-CA 3.48Å; E978-K981 PolarHBondContact O-N 2.88Å; E978-F982 PolarHBondContact O-N 3.14Å |
| 979 | L | 36.4 | Very low | 51 | Low | 84 Ų | 84 | 89.8 Ų | 89.8 | 44% | 0.44 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -53.2 | -45.9 | 173.1 | -93.6 | 129.2 | 0 | 0 | 0 | 111.8 | K981 Q983 | L979-K981 VanDerWaalsContact C-N 3.27Å; L979-K981 PolarHBondContact O-N 3.06Å; L979-Q983 PolarHBondContact O-N 3.39Å; L979-Q983 VanDerWaalsContact O-N 3.13Å |
| 980 | N | 33.2 | Very low | 48.1 | Very low | 112 Ų | 112 | 89.9 Ų | 89.9 | 60% | 0.599 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60.7 | -34.4 | 175.1 | -72.1 | -10 | 0 | 0 | 0 | 112.7 | E978 I984 | E978-N980 VanDerWaalsContact C-N 3.28Å; E978-N980 PolarHBondContact O-N 2.67Å; N980-I984 WeakPolarHBondContact O-CD1 3.19Å; N980-I984 VanDerWaalsContact O-CG1 3.24Å; N980-I984 WeakPolarHBondContact O-CG1 3.34Å; N980-I984 PolarHBondContact O-N 3.08Å |
| 981 | K | 34.8 | Very low | 44.9 | Very low | 113 Ų | 113 | 95.2 Ų | 95.2 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -78.3 | -44 | -177.9 | -166.4 | 171.4 | -178 | -79.2 | 0 | 111.9 | E978 L979 Q983 I984 E985 | E978-K981 WeakPolarHBondContact O-CA 3.48Å; E978-K981 PolarHBondContact O-N 2.88Å; L979-K981 VanDerWaalsContact C-N 3.27Å; L979-K981 PolarHBondContact O-N 3.06Å; K981-Q983 VanDerWaalsContact C-N 3.32Å; K981-Q983 PolarHBondContact O-N 3.11Å; K981-I984 PolarHBondContact O-N 3.01Å; K981-E985 WeakPolarHBondContact CE-OE1 3.48Å; K981-E985 IonicContact NZ-OE1 2.72Å; K981-E985 PolarHBondContact NZ-OE1 3.18Å; K981-E985 IonicContact NZ-OE2 3.98Å; K981-E985 PolarHBondContact O-N 2.87Å |
| 982 | F | 33.5 | Very low | 41.7 | Very low | 127 Ų | 127 | 100.8 Ų | 100.8 | 56% | 0.557 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.3 | -32.4 | 176.9 | -97.7 | -79.7 | 0 | 0 | 0 | 113.2 | E978 K986 | E978-F982 PolarHBondContact O-N 3.14Å; F982-K986 PolarHBondContact O-N 3.13Å; F982-K986 VanDerWaalsContact O-N 3.11Å |
| 983 | Q | 37.3 | Very low | 38.5 | Very low | 120 Ų | 120 | 108.3 Ų | 108.3 | 56% | 0.561 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -71.6 | -35.6 | 172.8 | -73.6 | 178.8 | -64 | 0 | 0 | 112.2 | L979 K981 N987 | L979-Q983 PolarHBondContact O-N 3.39Å; L979-Q983 VanDerWaalsContact O-N 3.13Å; K981-Q983 VanDerWaalsContact C-N 3.32Å; K981-Q983 PolarHBondContact O-N 3.11Å; Q983-N987 VanDerWaalsContact O-CB 3.28Å; Q983-N987 WeakPolarHBondContact O-CB 3.44Å; Q983-N987 PolarHBondContact O-N 3.33Å; Q983-N987 PolarHBondContact O-ND2 3.13Å; Q983-N987 PolarHBondContact O-OD1 3.19Å |
| 984 | I | 39.3 | Very low | 35.8 | Very low | 109 Ų | 109 | 112.7 Ų | 112.7 | 56% | 0.559 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.1 | -43.4 | 173.5 | -70 | 167.1 | 0 | 0 | 0 | 111.4 | N980 K981 N987 T988 | N980-I984 WeakPolarHBondContact O-CD1 3.19Å; N980-I984 VanDerWaalsContact O-CG1 3.24Å; N980-I984 WeakPolarHBondContact O-CG1 3.34Å; N980-I984 PolarHBondContact O-N 3.08Å; K981-I984 PolarHBondContact O-N 3.01Å; I984-N987 PolarHBondContact O-N 2.84Å; I984-T988 WeakPolarHBondContact O-CB 3.3Å; I984-T988 WeakPolarHBondContact O-CG2 3.37Å; I984-T988 PolarHBondContact O-N 3.38Å; I984-T988 PolarHBondContact O-OG1 3.28Å |
| 985 | E | 35.5 | Very low | 34 | Very low | 83 Ų | 83 | 115.1 Ų | 115.1 | 39% | 0.388 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -70.1 | -31.9 | -178.3 | -74 | 177.1 | -171.5 | 0 | 0 | 113 | K981 T988 | K981-E985 WeakPolarHBondContact CE-OE1 3.48Å; K981-E985 IonicContact NZ-OE1 2.72Å; K981-E985 PolarHBondContact NZ-OE1 3.18Å; K981-E985 IonicContact NZ-OE2 3.98Å; K981-E985 PolarHBondContact O-N 2.87Å; E985-T988 WeakPolarHBondContact CA-OG1 3.48Å; E985-T988 PolarHBondContact O-OG1 3.03Å |
| 986 | K | 38 | Very low | 32.7 | Very low | 148 Ų | 148 | 119.6 Ų | 119.6 | 64% | 0.643 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -74.2 | -39.2 | 169.6 | -81.4 | -174.3 | 172.6 | 178.3 | 0 | 113.1 | F982 T988 Q989 | F982-K986 PolarHBondContact O-N 3.13Å; F982-K986 VanDerWaalsContact O-N 3.11Å; K986-T988 PolarHBondContact O-N 2.85Å; K986-Q989 PolarHBondContact O-N 3.01Å |
| 987 | N | 37.5 | Very low | 32.3 | Very low | 115 Ų | 115 | 121.4 Ų | 121.4 | 62% | 0.615 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -67.9 | -24.5 | 177.9 | -71.4 | -2.7 | 0 | 0 | 0 | 112.8 | Q983 I984 | Q983-N987 VanDerWaalsContact O-CB 3.28Å; Q983-N987 WeakPolarHBondContact O-CB 3.44Å; Q983-N987 PolarHBondContact O-N 3.33Å; Q983-N987 PolarHBondContact O-ND2 3.13Å; Q983-N987 PolarHBondContact O-OD1 3.19Å; I984-N987 PolarHBondContact O-N 2.84Å |
| 988 | T | 36.5 | Very low | 31.9 | Very low | 94 Ų | 94 | 117.7 Ų | 117.7 | 58% | 0.577 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -6 | 178.1 | 45.3 | 0 | 0 | 0 | 0 | 114.8 | I984 E985 K986 | I984-T988 WeakPolarHBondContact O-CB 3.3Å; I984-T988 WeakPolarHBondContact O-CG2 3.37Å; I984-T988 PolarHBondContact O-N 3.38Å; I984-T988 PolarHBondContact O-OG1 3.28Å; E985-T988 WeakPolarHBondContact CA-OG1 3.48Å; E985-T988 PolarHBondContact O-OG1 3.03Å; K986-T988 PolarHBondContact O-N 2.85Å |
| 989 | Q | 33.7 | Very low | 31.3 | Very low | 169 Ų | 169 | 117.4 Ų | 117.4 | 79% | 0.79 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -3 | 172.5 | -71.5 | -174.7 | -8.2 | 0 | 0 | 114 | K986 | K986-Q989 PolarHBondContact O-N 3.01Š|
| 990 | S | 28 | Very low | 30.8 | Very low | 102 Ų | 102 | 118.2 Ų | 118.2 | 71% | 0.713 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -111.4 | 7.3 | -176.4 | -58.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 991 | T | 26.7 | Very low | 30.4 | Very low | 112 Ų | 112 | 117.7 Ų | 117.7 | 69% | 0.687 | 68% | 0.684 | S | S | * | * | trans | -135.1 | 76.5 | -178.4 | 58.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 992 | S | 24.7 | Very low | 29.9 | Very low | 116 Ų | 116 | 117 Ų | 117 | 81% | 0.811 | 69% | 0.693 | S | S | * | * | trans | -119.4 | 31.6 | 178.7 | 69.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 993 | I | 25.1 | Very low | 29.5 | Very low | 169 Ų | 169 | 119.9 Ų | 119.9 | 87% | 0.867 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -133 | 68.1 | 168.1 | -48.1 | -179.7 | 0 | 0 | 0 | 110.1 | ||
| 994 | C | 24.6 | Very low | 28.9 | Very low | 134 Ų | 134 | 120 Ų | 120 | 91% | 0.905 | 72% | 0.716 | S | S | * | * | trans | -167.1 | 134.4 | 141.1 | -146.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 995 | S | 23.9 | Very low | 28.3 | Very low | 104 Ų | 104 | 121.3 Ų | 121.3 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | -131.9 | 150.6 | -172.6 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 996 | S | 24.1 | Very low | 27.9 | Very low | 115 Ų | 115 | 121.4 Ų | 121.4 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | 75 | 146 | -170.6 | 80.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 997 | V | 29.3 | Very low | 27.5 | Very low | 126 Ų | 126 | 118.2 Ų | 118.2 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | cis | -136.5 | 146.1 | 15.6 | -149.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 998 | S | 29.2 | Very low | 27 | Very low | 102 Ų | 102 | 117 Ų | 117 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | 53.7 | 114 | 151.6 | 54.2 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 999 | S | 25.2 | Very low | 26.7 | Very low | 111 Ų | 111 | 116.5 Ų | 116.5 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -37 | 166.6 | 136.7 | 44.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1000 | S | 26.7 | Very low | 26.4 | Very low | 102 Ų | 102 | 114 Ų | 114 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | cis | -173.8 | 151.5 | -0.2 | 40.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1001 | S | 25.7 | Very low | 26.6 | Very low | 101 Ų | 101 | 115.9 Ų | 115.9 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | 39.6 | 108 | 143.5 | 68.3 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1002 | S | 23.9 | Very low | 26.8 | Very low | 98 Ų | 98 | 113.8 Ų | 113.8 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | 76.4 | 124 | 116.4 | 72.8 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 1003 | F | 24.8 | Very low | 26.9 | Very low | 187 Ų | 187 | 116 Ų | 116 | 82% | 0.82 | 80% | 0.8 | S | S | * | * | trans | 83 | 119.8 | 142.1 | -73.8 | -56.3 | 0 | 0 | 0 | 123.9 | ||||
| 1004 | T | 25.6 | Very low | 27.1 | Very low | 124 Ų | 124 | 116.1 Ų | 116.1 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | trans | 65.7 | 142.5 | 143.1 | 51.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1005 | T | 25.6 | Very low | 27.3 | Very low | 136 Ų | 136 | 114.7 Ų | 114.7 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | cis | -149.8 | 150.8 | 1.5 | 39.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1006 | G | 27.3 | Very low | 27.4 | Very low | 84 Ų | 84 | 117.3 Ų | 117.3 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | 103 | 149.7 | 139.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1007 | G | 29 | Very low | 27.4 | Very low | 82 Ų | 82 | 117.5 Ų | 117.5 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | 119.4 | 88.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1008 | G | 27.9 | Very low | 27.2 | Very low | 89 Ų | 89 | 117.3 Ų | 117.3 | 92% | 0.918 | 80% | 0.8 | S | S | * | * | trans | -64.8 | 164.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1009 | G | 30.4 | Very low | 27 | Very low | 83 Ų | 83 | 119.4 Ų | 119.4 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | 176.8 | 118 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1010 | S | 26.9 | Very low | 27 | Very low | 118 Ų | 118 | 121.3 Ų | 121.3 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -97.5 | 140.3 | -178.3 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1011 | V | 33.1 | Very low | 26.8 | Very low | 141 Ų | 141 | 124.3 Ų | 124.3 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | 162.1 | 142.1 | 134.4 | 153.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1012 | G | 30.5 | Very low | 26.8 | Very low | 68 Ų | 68 | 126.3 Ų | 126.3 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | 103.6 | 91.1 | 147.9 | 0 | 0 | 0 | 0 | 0 | 117 | N1014 | G1012-N1014 PolarHBondContact O-N 2.69Š| ||
| 1013 | N | 26.2 | Very low | 26.9 | Very low | 162 Ų | 162 | 126.7 Ų | 126.7 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | -56 | 129 | 171.4 | -54.9 | -25.6 | 0 | 0 | 0 | 112.7 | ||||
| 1014 | N | 30.4 | Very low | 26.9 | Very low | 172 Ų | 172 | 127.6 Ų | 127.6 | 92% | 0.92 | 81% | 0.81 | S | S | * | * | trans | -167.9 | 133.5 | 131.3 | -97.8 | -23.4 | 0 | 0 | 0 | 110 | G1012 | G1012-N1014 PolarHBondContact O-N 2.69Š| ||
| 1015 | S | 28.7 | Very low | 26.9 | Very low | 103 Ų | 103 | 129.3 Ų | 129.3 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | -105.7 | 125.3 | -171.3 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1016 | D | 25.7 | Very low | 27.1 | Very low | 160 Ų | 160 | 126.9 Ų | 126.9 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | 31.2 | 119.1 | 140.5 | -52.3 | -39.2 | 0 | 0 | 0 | 119.9 | ||||
| 1017 | S | 24.4 | Very low | 27.5 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | -138.8 | 49.5 | 170.7 | 55 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1018 | V | 24 | Very low | 28.1 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | trans | -130.9 | 131.4 | -179 | -179.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1019 | N | 25 | Very low | 29.3 | Very low | 146 Ų | 146 | 125.3 Ų | 125.3 | 78% | 0.781 | 73% | 0.727 | S | S | * | * | trans | 67.6 | 79.2 | 168.9 | -63.4 | -18.5 | 0 | 0 | 0 | 119.7 | ||||
| 1020 | E | 24.8 | Very low | 31.2 | Very low | 151 Ų | 151 | 124.2 Ų | 124.2 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | trans | -93.4 | 87.3 | 147.2 | -93.9 | -155.8 | 114.4 | 0 | 0 | 110.9 | K1022 | E1020-K1022 VanDerWaalsContact C-N 3.33Å; E1020-K1022 PolarHBondContact O-N 2.98Å; E1020-K1022 VanDerWaalsContact O-N 3.08Å; E1020-K1022 WeakPolarHBondContact OE1-CE 3.48Å; E1020-K1022 IonicContact OE1-NZ 2.77Å; E1020-K1022 PolarHBondContact OE1-NZ 3.19Å; E1020-K1022 WeakPolarHBondContact OE2-CE 3.49Å; E1020-K1022 IonicContact OE2-NZ 3.45Å; E1020-K1022 PolarHBondContact OE2-NZ 2.83Å | ||
| 1021 | L | 23.9 | Very low | 33.6 | Very low | 165 Ų | 165 | 125.3 Ų | 125.3 | 86% | 0.864 | 69% | 0.692 | S | S | * | * | trans | -84.4 | 78.6 | 174.2 | -143.2 | 168.3 | 0 | 0 | 0 | 109.6 | S1023 | L1021-S1023 PolarHBondContact O-N 2.92Š| ||
| 1022 | K | 25.5 | Very low | 36 | Very low | 144 Ų | 144 | 123.3 Ų | 123.3 | 63% | 0.626 | 67% | 0.673 | S | S | * | * | trans | -64.5 | 102 | -172.5 | -81.8 | 170.6 | 163.7 | 138 | 0 | 112.6 | E1020 F1024 | E1020-K1022 VanDerWaalsContact C-N 3.33Å; E1020-K1022 PolarHBondContact O-N 2.98Å; E1020-K1022 VanDerWaalsContact O-N 3.08Å; E1020-K1022 WeakPolarHBondContact OE1-CE 3.48Å; E1020-K1022 IonicContact OE1-NZ 2.77Å; E1020-K1022 PolarHBondContact OE1-NZ 3.19Å; E1020-K1022 WeakPolarHBondContact OE2-CE 3.49Å; E1020-K1022 IonicContact OE2-NZ 3.45Å; E1020-K1022 PolarHBondContact OE2-NZ 2.83Å; K1022-F1024 PolarHBondContact O-N 3.49Å | ||
| 1023 | S | 25.3 | Very low | 38.3 | Very low | 106 Ų | 106 | 122.9 Ų | 122.9 | 74% | 0.741 | 65% | 0.653 | S | S | * | * | trans | -64.1 | 123 | 172.3 | 58.8 | 0 | 0 | 0 | 0 | 111.4 | L1021 R1025 | L1021-S1023 PolarHBondContact O-N 2.92Å; S1023-R1025 PolarHBondContact O-N 3.1Å; S1023-R1025 VanDerWaalsContact O-N 3.15Å | ||
| 1024 | F | 24.4 | Very low | 40.9 | Very low | 205 Ų | 205 | 119.5 Ų | 119.5 | 90% | 0.899 | 63% | 0.632 | S | S | * | * | trans | -65.2 | 110.5 | 172.9 | -85.7 | -104.6 | 0 | 0 | 0 | 110.4 | K1022 | K1022-F1024 PolarHBondContact O-N 3.49Š| ||
| 1025 | R | 25.9 | Very low | 43.7 | Very low | 160 Ų | 160 | 112.5 Ų | 112.5 | 60% | 0.604 | 59% | 0.593 | S | S | * | * | trans | -72.2 | 130.3 | 162 | -84.5 | -172.7 | 172.2 | -178.2 | -2 | 109.5 | R438 S1023 | R438-R1025 PolarHBondContact NH1-O 3.39Å; R438-R1025 VanDerWaalsContact NH1-O 3.1Å; S1023-R1025 PolarHBondContact O-N 3.1Å; S1023-R1025 VanDerWaalsContact O-N 3.15Å | ||
| 1026 | C | 29.8 | Very low | 46.6 | Very low | 85 Ų | 85 | 107.8 Ų | 107.8 | 57% | 0.574 | 56% | 0.559 | S | S | * | * | trans | -77.8 | 148.5 | 159.9 | -158.1 | 0 | 0 | 0 | 0 | 108.7 | R438 T1028 | R438-C1026 PolarHBondContact NH2-SG 3.35Å; C1026-T1028 PolarHBondContact O-N 3.14Å | ||
| 1027 | T | 35.5 | Very low | 49.3 | Very low | 63 Ų | 63 | 101.4 Ų | 101.4 | 39% | 0.387 | 53% | 0.525 | S | S | . | . | trans | -44.7 | 122.9 | 174.3 | 24.2 | 0 | 0 | 0 | 0 | 110.9 | R438 L1029 | R438-T1027 HydrophobicContact CG-CG2 3.9Å; R438-T1027 PolarHBondContact NH2-OG1 3.3Å; T1027-L1029 PolarHBondContact O-N 3.42Å | ||
| 1028 | T | 43 | Very low | 52.3 | Low | 93 Ų | 93 | 95.8 Ų | 95.8 | 57% | 0.571 | 49% | 0.486 | S | S | * | . | trans | -64.4 | 100.1 | 178 | 34.2 | 0 | 0 | 0 | 0 | 110.4 | C1026 | C1026-T1028 PolarHBondContact O-N 3.14Š| ||
| 1029 | L | 51.6 | Low | 55.4 | Low | 66 Ų | 66 | 90.1 Ų | 90.1 | 35% | 0.346 | 45% | 0.452 | S | S | . | . | trans | -54 | 142.4 | 167.8 | -75.6 | 132.4 | 0 | 0 | 0 | 109.1 | I887 T1027 H1033 E1034 L1037 | I887-L1029 HydrophobicContact CD1-CD2 3.55Å; I887-L1029 HydrophobicContact CG1-CD2 4.46Å; T1027-L1029 PolarHBondContact O-N 3.42Å; L1029-H1033 HydrophobicContact CB-CB 4.17Å; L1029-H1033 HydrophobicContact CD2-CB 3.8Å; L1029-E1034 HydrophobicContact CB-CG 3.72Å; L1029-E1034 WeakPolarHBondContact O-CG 3.38Å; L1029-L1037 HydrophobicContact CD1-CD1 3.7Å; L1029-L1037 HydrophobicContact CD2-CD1 4.37Å | ||
| 1030 | S | 69.9 | Low | 58.3 | Low | 61 Ų | 61 | 83.6 Ų | 83.6 | 43% | 0.427 | 42% | 0.418 | S | S | . | . | trans | -63 | 145.5 | 175.2 | 81.4 | 0 | 0 | 0 | 0 | 109.4 | Q1032 H1033 E1034 | S1030-Q1032 CarbonylContact O-C 3.54Å; S1030-Q1032 PolarHBondContact O-N 2.78Å; S1030-H1033 WeakPolarHBondContact O-CA 3.28Å; S1030-H1033 WeakPolarHBondContact O-CB 3.23Å; S1030-H1033 PolarHBondContact O-N 3.15Å; S1030-H1033 PolarHBondContact OG-ND1 3.11Å; S1030-E1034 PolarHBondContact O-N 2.82Å | ||
| 1031 | R | 79.1 | Confident | 61.1 | Low | 140 Ų | 140 | 80.4 Ų | 80.4 | 53% | 0.528 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -49.6 | -26.9 | -176.3 | -171.9 | 173.5 | 171.5 | -168 | -1.8 | 114.3 | D973 R1035 | D973-R1031 VanDerWaalsContact CG-NH2 3.29Å; D973-R1031 IonicContact OD1-CZ 3.29Å; D973-R1031 IonicContact OD1-NE 3.51Å; D973-R1031 PolarHBondContact OD1-NE 3.36Å; D973-R1031 IonicContact OD1-NH2 2.67Å; D973-R1031 IonicContact OD2-CZ 3.83Å; D973-R1031 IonicContact OD2-NE 3.46Å; D973-R1031 IonicContact OD2-NH2 3.25Å; D973-R1031 PolarHBondContact OD2-NH2 2.52Å; R1031-R1035 WeakPolarHBondContact O-CB 3.33Å; R1031-R1035 VanDerWaalsContact O-CD 3.27Å; R1031-R1035 WeakPolarHBondContact O-CD 3.44Å; R1031-R1035 WeakPolarHBondContact O-CG 3.45Å; R1031-R1035 PolarHBondContact O-N 2.91Å; R1031-R1035 VanDerWaalsContact O-N 3.12Å |
| 1032 | Q | 82.7 | Confident | 64.1 | Low | 99 Ų | 99 | 78.7 Ų | 78.7 | 46% | 0.463 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70 | -41.6 | 171.9 | -71.9 | 172.7 | -20.1 | 0 | 0 | 113.2 | L932 G933 S1030 Q1036 | L932-Q1032 HydrophobicContact CB-CB 4.28Å; G933-Q1032 PolarHBondContact N-O 2.96Å; S1030-Q1032 CarbonylContact O-C 3.54Å; S1030-Q1032 PolarHBondContact O-N 2.78Å; Q1032-Q1036 PolarHBondContact O-N 3.3Å |
| 1033 | H | 78.3 | Confident | 67 | Low | 59 Ų | 59 | 74.9 Ų | 74.9 | 27% | 0.273 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -71.3 | -37.6 | 173.9 | -66.5 | 81.7 | 0 | 0 | 0 | 111.9 | L932 L1029 S1030 R1035 Q1036 L1037 | L932-H1033 WeakPolarHBondContact CD1-NE2 3.36Å; L1029-H1033 HydrophobicContact CB-CB 4.17Å; L1029-H1033 HydrophobicContact CD2-CB 3.8Å; S1030-H1033 WeakPolarHBondContact O-CA 3.28Å; S1030-H1033 WeakPolarHBondContact O-CB 3.23Å; S1030-H1033 PolarHBondContact O-N 3.15Å; S1030-H1033 PolarHBondContact OG-ND1 3.11Å; H1033-R1035 VanDerWaalsContact C-N 3.35Å; H1033-R1035 PolarHBondContact O-N 3.38Å; H1033-Q1036 PolarHBondContact O-N 2.77Å; H1033-L1037 WeakPolarHBondContact O-CB 3.49Å; H1033-L1037 PolarHBondContact O-N 3.38Å |
| 1034 | E | 81.2 | Confident | 69.8 | Low | 92 Ų | 92 | 76.2 Ų | 76.2 | 43% | 0.43 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 173.6 | -64.9 | -176.6 | 130.7 | 0 | 0 | 111.7 | L1029 S1030 L1037 A1038 | L1029-E1034 HydrophobicContact CB-CG 3.72Å; L1029-E1034 WeakPolarHBondContact O-CG 3.38Å; S1030-E1034 PolarHBondContact O-N 2.82Å; E1034-L1037 PolarHBondContact O-N 2.79Å; E1034-A1038 WeakPolarHBondContact O-CB 3.27Å; E1034-A1038 PolarHBondContact O-N 2.95Å |
| 1035 | R | 89.7 | Confident | 72.9 | Confident | 24 Ų | 24 | 67.6 Ų | 67.6 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 172.4 | -71.7 | 165.8 | 178.8 | -166.6 | -0 | 111.5 | H970 D973 R1031 H1033 L1037 A1038 I1039 | H970-R1035 WeakPolarHBondContact ND1-CD 3.4Å; H970-R1035 WeakPolarHBondContact ND1-CG 3.02Å; D973-R1035 VanDerWaalsContact CG-NH2 3.3Å; D973-R1035 IonicContact OD1-CZ 3.24Å; D973-R1035 VanDerWaalsContact OD1-CZ 3.25Å; D973-R1035 IonicContact OD1-NE 3.71Å; D973-R1035 PolarHBondContact OD1-NE 2.83Å; D973-R1035 IonicContact OD1-NH2 2.81Å; D973-R1035 PolarHBondContact OD1-NH2 2.84Å; D973-R1035 IonicContact OD2-CZ 2.79Å; D973-R1035 IonicContact OD2-NE 3.87Å; D973-R1035 IonicContact OD2-NH2 2.8Å; D973-R1035 PolarHBondContact OD2-NH2 2.85Å; R1031-R1035 WeakPolarHBondContact O-CB 3.33Å; R1031-R1035 VanDerWaalsContact O-CD 3.27Å; R1031-R1035 WeakPolarHBondContact O-CD 3.44Å; R1031-R1035 WeakPolarHBondContact O-CG 3.45Å; R1031-R1035 PolarHBondContact O-N 2.91Å; R1031-R1035 VanDerWaalsContact O-N 3.12Å; H1033-R1035 VanDerWaalsContact C-N 3.35Å; H1033-R1035 PolarHBondContact O-N 3.38Å; R1035-L1037 VanDerWaalsContact C-N 3.35Å; R1035-L1037 PolarHBondContact O-N 2.85Å; R1035-A1038 PolarHBondContact O-N 3.4Å; R1035-I1039 WeakPolarHBondContact O-CD1 3.36Å; R1035-I1039 VanDerWaalsContact O-CG1 3.3Å; R1035-I1039 WeakPolarHBondContact O-CG1 3.42Å; R1035-I1039 PolarHBondContact O-N 3.03Å |
| 1036 | Q | 89.8 | Confident | 75.9 | Confident | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.019 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66 | -36.2 | -179.2 | -161.3 | 62.9 | 56.3 | 0 | 0 | 112.6 | L932 M935 C940 Q1032 H1033 I1039 A1040 | L932-Q1036 HydrophobicContact CD2-CB 4.26Å; L932-Q1036 HydrophobicContact CD2-CG 3.91Å; M935-Q1036 PolarHBondContact O-NE2 2.87Å; C940-Q1036 PolarHBondContact SG-NE2 3.07Å; C940-Q1036 VanDerWaalsContact SG-NE2 3.37Å; Q1032-Q1036 PolarHBondContact O-N 3.3Å; H1033-Q1036 PolarHBondContact O-N 2.77Å; Q1036-I1039 PolarHBondContact O-N 2.89Å; Q1036-A1040 VanDerWaalsContact O-CB 3.29Å; Q1036-A1040 WeakPolarHBondContact O-CB 3.1Å; Q1036-A1040 PolarHBondContact O-N 3.24Å |
| 1037 | L | 82.5 | Confident | 78.7 | Confident | 26 Ų | 26 | 58.3 Ų | 58.3 | 14% | 0.136 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.3 | -50.6 | 169.9 | -91.1 | 173.9 | 0 | 0 | 0 | 111.6 | V840 I887 L1029 H1033 E1034 R1035 I1039 A1040 E1041 | V840-L1037 HydrophobicContact CG1-CD2 4.42Å; I887-L1037 HydrophobicContact CD1-CD1 3.84Å; I887-L1037 HydrophobicContact CD1-CD2 3.85Å; I887-L1037 HydrophobicContact CD1-CG 3.69Å; I887-L1037 HydrophobicContact CG1-CD1 4.43Å; I887-L1037 HydrophobicContact CG1-CD2 4Å; I887-L1037 HydrophobicContact CG1-CG 4.36Å; L1029-L1037 HydrophobicContact CD1-CD1 3.7Å; L1029-L1037 HydrophobicContact CD2-CD1 4.37Å; H1033-L1037 WeakPolarHBondContact O-CB 3.49Å; H1033-L1037 PolarHBondContact O-N 3.38Å; E1034-L1037 PolarHBondContact O-N 2.79Å; R1035-L1037 VanDerWaalsContact C-N 3.35Å; R1035-L1037 PolarHBondContact O-N 2.85Å; L1037-I1039 PolarHBondContact O-N 3.01Å; L1037-A1040 PolarHBondContact O-N 3.38Å; L1037-E1041 WeakPolarHBondContact O-CB 3.13Å; L1037-E1041 WeakPolarHBondContact O-CG 3.29Å; L1037-E1041 PolarHBondContact O-N 3.3Å |
| 1038 | A | 86.8 | Confident | 81.1 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.4 | -33 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y972 E1034 R1035 R1043 | Y972-A1038 HydrophobicContact CD1-CB 3.53Å; Y972-A1038 HydrophobicContact CE1-CB 4.24Å; Y972-A1038 HydrophobicContact CG-CB 4.1Å; E1034-A1038 WeakPolarHBondContact O-CB 3.27Å; E1034-A1038 PolarHBondContact O-N 2.95Å; R1035-A1038 PolarHBondContact O-N 3.4Å; A1038-R1043 HydrophobicContact CB-CG 4.48Å; A1038-R1043 VanDerWaalsContact O-CB 3.32Å; A1038-R1043 WeakPolarHBondContact O-CB 3.33Å; A1038-R1043 WeakPolarHBondContact O-CG 3.07Å; A1038-R1043 PolarHBondContact O-N 3.44Å |
| 1039 | I | 89.5 | Confident | 83.1 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.2 | -50.1 | 171.7 | -65.1 | 160.3 | 0 | 0 | 0 | 111.1 | G933 M935 P937 F955 L959 Y972 R1035 Q1036 L1037 E1041 R1042 | G933-I1039 WeakPolarHBondContact O-CD1 3.36Å; M935-I1039 WeakPolarHBondContact O-CG2 3.25Å; P937-I1039 HydrophobicContact CB-CG2 4.07Å; P937-I1039 HydrophobicContact CG-CG2 4.42Å; F955-I1039 HydrophobicContact CE1-CD1 4.1Å; F955-I1039 HydrophobicContact CE1-CG1 4.14Å; F955-I1039 HydrophobicContact CE1-CG2 3.74Å; F955-I1039 HydrophobicContact CZ-CG1 4.15Å; F955-I1039 HydrophobicContact CZ-CG2 3.69Å; L959-I1039 HydrophobicContact CD1-CD1 4.25Å; Y972-I1039 HydrophobicContact CD2-CD1 4.19Å; Y972-I1039 HydrophobicContact CD2-CG1 3.71Å; Y972-I1039 HydrophobicContact CE2-CD1 4.3Å; Y972-I1039 HydrophobicContact CE2-CG1 3.54Å; Y972-I1039 HydrophobicContact CG-CG1 4.3Å; R1035-I1039 WeakPolarHBondContact O-CD1 3.36Å; R1035-I1039 VanDerWaalsContact O-CG1 3.3Å; R1035-I1039 WeakPolarHBondContact O-CG1 3.42Å; R1035-I1039 PolarHBondContact O-N 3.03Å; Q1036-I1039 PolarHBondContact O-N 2.89Å; L1037-I1039 PolarHBondContact O-N 3.01Å; I1039-E1041 PolarHBondContact O-N 2.98Å; I1039-R1042 WeakPolarHBondContact O-CA 3.41Å; I1039-R1042 PolarHBondContact O-N 3.31Å |
| 1040 | A | 85.6 | Confident | 84.8 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 8% | 0.083 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.4 | -37.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | I842 C940 Q1036 L1037 R1042 | I842-A1040 HydrophobicContact CD1-CB 4.33Å; C940-A1040 HydrophobicContact CB-CB 3.86Å; Q1036-A1040 VanDerWaalsContact O-CB 3.29Å; Q1036-A1040 WeakPolarHBondContact O-CB 3.1Å; Q1036-A1040 PolarHBondContact O-N 3.24Å; L1037-A1040 PolarHBondContact O-N 3.38Å; A1040-R1042 PolarHBondContact O-N 3.43Å |
| 1041 | E | 83.3 | Confident | 85.4 | Confident | 83 Ų | 83 | 52 Ų | 52 | 39% | 0.388 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 1 | 170.8 | -72.7 | 178.4 | -138.4 | 0 | 0 | 113.6 | I842 L1037 I1039 R1043 | I842-E1041 HydrophobicContact CD1-CG 3.93Å; L1037-E1041 WeakPolarHBondContact O-CB 3.13Å; L1037-E1041 WeakPolarHBondContact O-CG 3.29Å; L1037-E1041 PolarHBondContact O-N 3.3Å; I1039-E1041 PolarHBondContact O-N 2.98Å; E1041-R1043 HydrophobicContact CB-CG 3.95Å; E1041-R1043 PolarHBondContact O-N 3.33Å; E1041-R1043 IonicContact OE1-CZ 2.71Å; E1041-R1043 IonicContact OE1-NE 2.75Å; E1041-R1043 IonicContact OE1-NH2 2.68Å; E1041-R1043 PolarHBondContact OE1-NH2 3.17Å; E1041-R1043 IonicContact OE2-CZ 2.69Å; E1041-R1043 IonicContact OE2-NE 2.76Å; E1041-R1043 PolarHBondContact OE2-NE 3.48Å; E1041-R1043 IonicContact OE2-NH2 3.22Å; E1041-R1043 PolarHBondContact OE2-NH2 2.92Å |
| 1042 | R | 87.2 | Confident | 85.3 | Confident | 129 Ų | 129 | 51.3 Ų | 51.3 | 49% | 0.487 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 35.4 | 179.2 | -52.9 | -179.9 | -172 | -165.2 | 2 | 112.8 | P937 D941 I1039 A1040 | P937-R1042 HydrophobicContact CB-CG 4.42Å; D941-R1042 IonicContact OD2-CZ 3.83Å; D941-R1042 IonicContact OD2-NE 2.84Å; D941-R1042 IonicContact OD2-NH2 2.75Å; D941-R1042 PolarHBondContact OD2-NH2 2.79Å; I1039-R1042 WeakPolarHBondContact O-CA 3.41Å; I1039-R1042 PolarHBondContact O-N 3.31Å; A1040-R1042 PolarHBondContact O-N 3.43Å |
| 1043 | R | 85.9 | Confident | 84.6 | Confident | 65 Ų | 65 | 53.2 Ų | 53.2 | 25% | 0.245 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 152.5 | 177.4 | -56.7 | -173.9 | -168.4 | 158 | -0.4 | 110.3 | Y972 A1038 E1041 | Y972-R1043 HydrophobicContact CE1-CB 4.36Å; Y972-R1043 VanDerWaalsContact CE1-O 3.29Å; Y972-R1043 WeakPolarHBondContact CE1-O 3.35Å; Y972-R1043 PolarHBondContact OH-O 3.13Å; Y972-R1043 VanDerWaalsContact OH-O 3.08Å; A1038-R1043 HydrophobicContact CB-CG 4.48Å; A1038-R1043 VanDerWaalsContact O-CB 3.32Å; A1038-R1043 WeakPolarHBondContact O-CB 3.33Å; A1038-R1043 WeakPolarHBondContact O-CG 3.07Å; A1038-R1043 PolarHBondContact O-N 3.44Å; E1041-R1043 HydrophobicContact CB-CG 3.95Å; E1041-R1043 PolarHBondContact O-N 3.33Å; E1041-R1043 IonicContact OE1-CZ 2.71Å; E1041-R1043 IonicContact OE1-NE 2.75Å; E1041-R1043 IonicContact OE1-NH2 2.68Å; E1041-R1043 PolarHBondContact OE1-NH2 3.17Å; E1041-R1043 IonicContact OE2-CZ 2.69Å; E1041-R1043 IonicContact OE2-NE 2.76Å; E1041-R1043 PolarHBondContact OE2-NE 3.48Å; E1041-R1043 IonicContact OE2-NH2 3.22Å; E1041-R1043 PolarHBondContact OE2-NH2 2.92Å |
| 1044 | L | 84.5 | Confident | 84.3 | Confident | 134 Ų | 134 | 51.4 Ų | 51.4 | 70% | 0.702 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 132 | 176.1 | -74.5 | 163.9 | 0 | 0 | 0 | 110.9 | ||
| 1045 | P | 89 | Confident | 83.7 | Confident | 24 Ų | 24 | 55 Ų | 55 | 16% | 0.156 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 137.7 | 174.2 | 27.4 | -32.5 | 0 | 0 | 0 | 111.1 | P971 Y972 L1047 L1071 | P971-P1045 HydrophobicContact CB-CB 3.76Å; P971-P1045 HydrophobicContact CG-CB 4.29Å; Y972-P1045 HydrophobicContact CE1-CB 4.4Å; Y972-P1045 HydrophobicContact CE2-CB 4.23Å; P1045-L1047 HydrophobicContact CB-CD2 4.18Å; P1045-L1047 HydrophobicContact CB-CG 4.29Å; P1045-L1047 HydrophobicContact CG-CD1 4.33Å; P1045-L1047 HydrophobicContact CG-CD2 4.5Å; P1045-L1047 HydrophobicContact CG-CG 4.26Å; P1045-L1047 PolarHBondContact O-N 2.82Å; P1045-L1071 HydrophobicContact CB-CD1 4.02Å; P1045-L1071 HydrophobicContact CG-CB 4.29Å; P1045-L1071 HydrophobicContact CG-CD1 4.15Å |
| 1046 | N | 88.7 | Confident | 83.1 | Confident | 47 Ų | 47 | 55.9 Ų | 55.9 | 25% | 0.251 | 28% | 0.279 | S | S | . | . | trans | -76.1 | 107.8 | 170.6 | -174.3 | -59.7 | 0 | 0 | 0 | 109.9 | Y962 P971 C974 D1048 | Y962-N1046 WeakPolarHBondContact CE2-O 3.46Å; Y962-N1046 PolarHBondContact OH-O 2.89Å; P971-N1046 WeakPolarHBondContact O-CB 3.48Å; P971-N1046 PolarHBondContact O-N 2.83Å; C974-N1046 HydrophobicContact CB-CB 4.31Å; N1046-D1048 PolarHBondContact ND2-OD2 3.47Å; N1046-D1048 PolarHBondContact OD1-N 2.88Å; N1046-D1048 VanDerWaalsContact OD1-N 3.16Å | ||
| 1047 | L | 90 | Very high | 82.6 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | trans | -107.1 | 6.3 | 179.7 | -57.8 | -178.2 | 0 | 0 | 0 | 113.6 | Y962 P971 P1045 I1049 L1050 R1064 I1067 Q1068 L1071 | Y962-L1047 HydrophobicContact CD2-CD2 3.62Å; Y962-L1047 HydrophobicContact CE2-CD2 3.77Å; P971-L1047 HydrophobicContact CB-CD2 4.15Å; P1045-L1047 HydrophobicContact CB-CD2 4.18Å; P1045-L1047 HydrophobicContact CB-CG 4.29Å; P1045-L1047 HydrophobicContact CG-CD1 4.33Å; P1045-L1047 HydrophobicContact CG-CD2 4.5Å; P1045-L1047 HydrophobicContact CG-CG 4.26Å; P1045-L1047 PolarHBondContact O-N 2.82Å; L1047-I1049 VanDerWaalsContact C-N 3.34Å; L1047-I1049 PolarHBondContact O-N 3.19Å; L1047-L1050 HydrophobicContact CB-CD1 4.45Å; L1047-L1050 HydrophobicContact CD2-CD1 4.34Å; L1047-L1050 WeakPolarHBondContact O-CB 3.1Å; L1047-L1050 PolarHBondContact O-N 2.99Å; L1047-L1050 VanDerWaalsContact O-N 3.14Å; L1047-R1064 HydrophobicContact CB-CG 4.14Å; L1047-R1064 HydrophobicContact CD1-CG 4.47Å; L1047-I1067 HydrophobicContact CD1-CG2 4.37Å; L1047-I1067 HydrophobicContact CD2-CG2 3.68Å; L1047-Q1068 HydrophobicContact CD1-CB 3.54Å; L1047-Q1068 HydrophobicContact CD1-CG 3.93Å; L1047-L1071 HydrophobicContact CD2-CD1 4.41Å | ||
| 1048 | D | 84.7 | Confident | 82.4 | Confident | 62 Ų | 62 | 56.4 Ų | 56.4 | 33% | 0.332 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -69.8 | -34 | -169.5 | -56.4 | -43.4 | 0 | 0 | 0 | 112.4 | N1046 L1050 T1051 E1052 R1064 | N1046-D1048 PolarHBondContact ND2-OD2 3.47Å; N1046-D1048 PolarHBondContact OD1-N 2.88Å; N1046-D1048 VanDerWaalsContact OD1-N 3.16Å; D1048-L1050 PolarHBondContact O-N 3.49Å; D1048-L1050 VanDerWaalsContact O-N 3.07Å; D1048-T1051 CarbonylContact O-C 3.46Å; D1048-T1051 WeakPolarHBondContact O-CA 3.41Å; D1048-T1051 PolarHBondContact O-N 2.66Å; D1048-T1051 PolarHBondContact O-OG1 3.07Å; D1048-E1052 WeakPolarHBondContact O-CG 3.38Å; D1048-E1052 PolarHBondContact O-N 3.09Å; D1048-R1064 IonicContact OD1-CZ 2.75Å; D1048-R1064 IonicContact OD1-NH1 3.81Å; D1048-R1064 PolarHBondContact OD1-NH1 3.43Å; D1048-R1064 IonicContact OD1-NH2 3.62Å; D1048-R1064 PolarHBondContact OD1-NH2 2.95Å |
| 1049 | I | 86.1 | Confident | 82.3 | Confident | 45 Ų | 45 | 59.8 Ų | 59.8 | 23% | 0.231 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -56 | -23.9 | 173.3 | -53.8 | -176.1 | 0 | 0 | 0 | 112.9 | T966 K969 L1047 T1051 | T966-I1049 HydrophobicContact CG2-CB 4.47Å; T966-I1049 HydrophobicContact CG2-CG2 3.94Å; K969-I1049 HydrophobicContact CD-CD1 3.73Å; K969-I1049 HydrophobicContact CD-CG2 4.19Å; L1047-I1049 VanDerWaalsContact C-N 3.34Å; L1047-I1049 PolarHBondContact O-N 3.19Å; I1049-T1051 VanDerWaalsContact C-N 3.29Å |
| 1050 | L | 86.1 | Confident | 82.1 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -74.7 | -20.6 | 175 | -60.9 | 177.4 | 0 | 0 | 0 | 112.8 | Y962 L965 T966 L1047 D1048 S1060 R1064 I1067 | Y962-L1050 HydrophobicContact CD2-CD1 4Å; Y962-L1050 HydrophobicContact CD2-CD2 4.16Å; Y962-L1050 HydrophobicContact CD2-CG 4.08Å; Y962-L1050 HydrophobicContact CE2-CD1 4.38Å; Y962-L1050 HydrophobicContact CE2-CD2 4.4Å; Y962-L1050 HydrophobicContact CE2-CG 4.1Å; L965-L1050 HydrophobicContact CB-CD2 3.82Å; L965-L1050 HydrophobicContact CD1-CD2 4.21Å; T966-L1050 HydrophobicContact CG2-CD2 3.89Å; L1047-L1050 HydrophobicContact CB-CD1 4.45Å; L1047-L1050 HydrophobicContact CD2-CD1 4.34Å; L1047-L1050 WeakPolarHBondContact O-CB 3.1Å; L1047-L1050 PolarHBondContact O-N 2.99Å; L1047-L1050 VanDerWaalsContact O-N 3.14Å; D1048-L1050 PolarHBondContact O-N 3.49Å; D1048-L1050 VanDerWaalsContact O-N 3.07Å; L1050-S1060 WeakPolarHBondContact O-CB 3.02Å; L1050-S1060 PolarHBondContact O-OG 2.96Å; L1050-R1064 HydrophobicContact CB-CB 4.41Å; L1050-R1064 HydrophobicContact CD1-CB 4.28Å; L1050-I1067 HydrophobicContact CD1-CB 4.47Å; L1050-I1067 HydrophobicContact CD1-CD1 3.77Å |
| 1051 | T | 82.9 | Confident | 82 | Confident | 33 Ų | 33 | 63.4 Ų | 63.4 | 20% | 0.202 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | -8.4 | -172.1 | 40.3 | 0 | 0 | 0 | 0 | 114.1 | D1048 I1049 P1054 Y1061 R1064 | D1048-T1051 CarbonylContact O-C 3.46Å; D1048-T1051 WeakPolarHBondContact O-CA 3.41Å; D1048-T1051 PolarHBondContact O-N 2.66Å; D1048-T1051 PolarHBondContact O-OG1 3.07Å; I1049-T1051 VanDerWaalsContact C-N 3.29Å; T1051-P1054 WeakPolarHBondContact O-CD 3.3Å; T1051-Y1061 HydrophobicContact CG2-CD1 4.31Å; T1051-Y1061 HydrophobicContact CG2-CE1 4.31Å; T1051-R1064 HydrophobicContact CG2-CB 4.19Å; T1051-R1064 PolarHBondContact OG1-NH1 3.3Å |
| 1052 | E | 77.6 | Confident | 82.3 | Confident | 125 Ų | 125 | 59.5 Ų | 59.5 | 58% | 0.584 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -76.6 | 121.6 | 168.8 | -73.9 | 174.5 | 166.7 | 0 | 0 | 110.2 | D1048 | D1048-E1052 WeakPolarHBondContact O-CG 3.38Å; D1048-E1052 PolarHBondContact O-N 3.09Å |
| 1053 | N | 66.8 | Low | 82.6 | Confident | 140 Ų | 140 | 53.5 Ų | 53.5 | 75% | 0.749 | 27% | 0.274 | S | S | * | . | S | Bend | trans | 45.2 | 52.5 | 178 | -60.1 | -32.8 | 0 | 0 | 0 | 115.6 | I1055 | N1053-I1055 PolarHBondContact O-N 3.34Š|
| 1054 | P | 72.7 | Confident | 82.8 | Confident | 20 Ų | 20 | 52.2 Ų | 52.2 | 13% | 0.13 | 27% | 0.269 | C | S | . | . | trans | -75.1 | 128.3 | -172.6 | 31.5 | -35.3 | 0 | 0 | 0 | 112.2 | T1051 N1056 V1057 S1060 | T1051-P1054 WeakPolarHBondContact O-CD 3.3Å; P1054-N1056 PolarHBondContact O-N 3.14Å; P1054-V1057 HydrophobicContact CG-CB 4.35Å; P1054-V1057 HydrophobicContact CG-CG1 4.3Å; P1054-V1057 HydrophobicContact CG-CG2 4.25Å; P1054-S1060 WeakPolarHBondContact CB-OG 3.32Å | ||
| 1055 | I | 69.5 | Low | 82.9 | Confident | 168 Ų | 168 | 46.2 Ų | 46.2 | 86% | 0.862 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -57.9 | -39.6 | 174.2 | -60.3 | 172.7 | 0 | 0 | 0 | 110.7 | N1053 | N1053-I1055 PolarHBondContact O-N 3.34Š|
| 1056 | N | 76.3 | Confident | 83.1 | Confident | 42 Ų | 42 | 45.3 Ų | 45.3 | 23% | 0.225 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -124.3 | 91.3 | 175.5 | -166.5 | -7.8 | 0 | 0 | 0 | 111 | P1054 H1058 E1059 S1060 | P1054-N1056 PolarHBondContact O-N 3.14Å; N1056-H1058 VanDerWaalsContact C-N 3.29Å; N1056-H1058 PolarHBondContact O-N 3.18Å; N1056-H1058 PolarHBondContact OD1-CE1 3.46Å; N1056-H1058 PolarHBondContact OD1-ND1 2.99Å; N1056-E1059 HydrophobicContact CB-CB 4.24Å; N1056-E1059 WeakPolarHBondContact ND2-CG 3.26Å; N1056-E1059 PolarHBondContact ND2-OE1 3Å; N1056-E1059 VanDerWaalsContact ND2-OE1 3.09Å; N1056-E1059 PolarHBondContact ND2-OE2 2.84Å; N1056-E1059 PolarHBondContact O-N 3.49Å; N1056-S1060 PolarHBondContact O-N 2.93Å |
| 1057 | V | 78.2 | Confident | 83.4 | Confident | 22 Ų | 22 | 43.2 Ų | 43.2 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -50.9 | -44.4 | -170.8 | -167.2 | 0 | 0 | 0 | 0 | 113.1 | P1054 S1060 Y1061 P1250 I1344 | P1054-V1057 HydrophobicContact CG-CB 4.35Å; P1054-V1057 HydrophobicContact CG-CG1 4.3Å; P1054-V1057 HydrophobicContact CG-CG2 4.25Å; V1057-S1060 WeakPolarHBondContact O-CB 3.5Å; V1057-S1060 PolarHBondContact O-N 2.95Å; V1057-Y1061 HydrophobicContact CG1-CD2 4.04Å; V1057-Y1061 HydrophobicContact CG1-CE2 3.73Å; V1057-Y1061 WeakPolarHBondContact O-CD2 3.27Å; V1057-Y1061 PolarHBondContact O-N 3.13Å; V1057-P1250 HydrophobicContact CB-CB 4.4Å; V1057-P1250 HydrophobicContact CB-CG 4.12Å; V1057-P1250 HydrophobicContact CG1-CB 3.86Å; V1057-P1250 HydrophobicContact CG1-CG 3.69Å; V1057-I1344 HydrophobicContact CG2-CG2 4.42Å |
| 1058 | H | 79.1 | Confident | 83.5 | Confident | 19 Ų | 19 | 44.8 Ų | 44.8 | 9% | 0.088 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -75.8 | -37.7 | -174 | 84.3 | -73.4 | 0 | 0 | 0 | 113.4 | N1056 S1060 Y1061 L1062 T1246 P1250 | N1056-H1058 VanDerWaalsContact C-N 3.29Å; N1056-H1058 PolarHBondContact O-N 3.18Å; N1056-H1058 PolarHBondContact OD1-CE1 3.46Å; N1056-H1058 PolarHBondContact OD1-ND1 2.99Å; H1058-S1060 VanDerWaalsContact C-N 3.3Å; H1058-S1060 PolarHBondContact O-N 3.43Å; H1058-Y1061 PolarHBondContact O-N 3.28Å; H1058-L1062 WeakPolarHBondContact O-CG 3.18Å; H1058-L1062 PolarHBondContact O-N 2.71Å; H1058-L1062 VanDerWaalsContact O-N 3.11Å; H1058-T1246 WeakPolarHBondContact CD2-CB 3.32Å; H1058-T1246 PolarHBondContact CD2-OG1 2.81Å; H1058-T1246 PolarHBondContact CE1-OG1 2.95Å; H1058-T1246 VanDerWaalsContact CE1-OG1 3.26Å; H1058-T1246 PolarHBondContact ND1-OG1 3.29Å; H1058-T1246 PolarHBondContact NE2-OG1 3.37Å; H1058-P1250 HydrophobicContact CB-CB 4.24Å |
| 1059 | E | 85.5 | Confident | 83.8 | Confident | 72 Ų | 72 | 42.1 Ų | 42.1 | 34% | 0.336 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.4 | -39.8 | 171.2 | -76.4 | 175.6 | -179.2 | 0 | 0 | 110.8 | N1056 Y1061 L1062 A1063 L1089 | N1056-E1059 HydrophobicContact CB-CB 4.24Å; N1056-E1059 WeakPolarHBondContact ND2-CG 3.26Å; N1056-E1059 PolarHBondContact ND2-OE1 3Å; N1056-E1059 VanDerWaalsContact ND2-OE1 3.09Å; N1056-E1059 PolarHBondContact ND2-OE2 2.84Å; N1056-E1059 PolarHBondContact O-N 3.49Å; E1059-Y1061 PolarHBondContact O-N 3.33Å; E1059-L1062 PolarHBondContact O-N 3.17Å; E1059-A1063 WeakPolarHBondContact O-CB 3.23Å; E1059-A1063 PolarHBondContact O-N 3.17Å; E1059-L1089 HydrophobicContact CB-CD1 4.01Å; E1059-L1089 HydrophobicContact CG-CD1 4.16Å |
| 1060 | S | 85.6 | Confident | 84.2 | Confident | 23 Ų | 23 | 40 Ų | 40 | 16% | 0.161 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.9 | -42.8 | 176.2 | -88.4 | 0 | 0 | 0 | 0 | 113.8 | L1050 P1054 N1056 V1057 H1058 R1064 | L1050-S1060 WeakPolarHBondContact O-CB 3.02Å; L1050-S1060 PolarHBondContact O-OG 2.96Å; P1054-S1060 WeakPolarHBondContact CB-OG 3.32Å; N1056-S1060 PolarHBondContact O-N 2.93Å; V1057-S1060 WeakPolarHBondContact O-CB 3.5Å; V1057-S1060 PolarHBondContact O-N 2.95Å; H1058-S1060 VanDerWaalsContact C-N 3.3Å; H1058-S1060 PolarHBondContact O-N 3.43Å; S1060-R1064 WeakPolarHBondContact O-CB 3.12Å; S1060-R1064 PolarHBondContact O-N 3.18Å |
| 1061 | Y | 82.2 | Confident | 84.7 | Confident | 65 Ų | 65 | 39.8 Ų | 39.8 | 26% | 0.255 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.7 | -43 | 174.6 | -80.3 | -70.8 | 0 | 0 | 0 | 112.3 | T1051 V1057 H1058 E1059 Y1065 P1250 | T1051-Y1061 HydrophobicContact CG2-CD1 4.31Å; T1051-Y1061 HydrophobicContact CG2-CE1 4.31Å; V1057-Y1061 HydrophobicContact CG1-CD2 4.04Å; V1057-Y1061 HydrophobicContact CG1-CE2 3.73Å; V1057-Y1061 WeakPolarHBondContact O-CD2 3.27Å; V1057-Y1061 PolarHBondContact O-N 3.13Å; H1058-Y1061 PolarHBondContact O-N 3.28Å; E1059-Y1061 PolarHBondContact O-N 3.33Å; Y1061-Y1065 WeakPolarHBondContact O-CB 3.48Å; Y1061-Y1065 PolarHBondContact O-N 3.41Å; Y1061-Y1065 VanDerWaalsContact O-N 3.09Å; Y1061-P1250 HydrophobicContact CD2-CB 3.95Å; Y1061-P1250 HydrophobicContact CE2-CB 4.24Å |
| 1062 | L | 90 | Very high | 85.1 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.2 | -47.2 | 175.1 | -75.2 | 169.6 | 0 | 0 | 0 | 111.7 | H1058 E1059 Y1065 L1066 Y1087 P1088 L1089 L1253 P1254 | H1058-L1062 WeakPolarHBondContact O-CG 3.18Å; H1058-L1062 PolarHBondContact O-N 2.71Å; H1058-L1062 VanDerWaalsContact O-N 3.11Å; E1059-L1062 PolarHBondContact O-N 3.17Å; L1062-Y1065 PolarHBondContact O-N 3.26Å; L1062-L1066 WeakPolarHBondContact O-CB 3.43Å; L1062-L1066 PolarHBondContact O-N 3.2Å; L1062-Y1087 HydrophobicContact CB-CE1 4Å; L1062-Y1087 HydrophobicContact CD2-CE1 3.99Å; L1062-Y1087 WeakPolarHBondContact CD2-OH 3.43Å; L1062-Y1087 WeakPolarHBondContact O-CE1 3.43Å; L1062-Y1087 PolarHBondContact O-OH 3.15Å; L1062-P1088 HydrophobicContact CD1-CB 4.24Å; L1062-P1088 HydrophobicContact CD2-CB 4.09Å; L1062-P1088 HydrophobicContact CD2-CG 4.43Å; L1062-L1089 HydrophobicContact CB-CB 4.31Å; L1062-L1089 HydrophobicContact CB-CD1 4.07Å; L1062-L1253 HydrophobicContact CD1-CD2 4.07Å; L1062-P1254 HydrophobicContact CD2-CB 4.2Å; L1062-P1254 HydrophobicContact CD2-CG 3.76Å; L1062-P1254 HydrophobicContact CG-CG 4.05Å |
| 1063 | A | 92.3 | Very high | 85.6 | Confident | 3 Ų | 3 | 35.4 Ų | 35.4 | 3% | 0.025 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.3 | -41.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L965 E1059 Y1065 L1066 I1067 L1089 | L965-A1063 HydrophobicContact CD1-CB 3.63Å; E1059-A1063 WeakPolarHBondContact O-CB 3.23Å; E1059-A1063 PolarHBondContact O-N 3.17Å; A1063-Y1065 PolarHBondContact O-N 3.04Å; A1063-L1066 PolarHBondContact O-N 3.42Å; A1063-I1067 VanDerWaalsContact O-CB 3.32Å; A1063-I1067 WeakPolarHBondContact O-CB 3.2Å; A1063-I1067 VanDerWaalsContact O-CG1 3.31Å; A1063-I1067 WeakPolarHBondContact O-CG1 3.39Å; A1063-I1067 PolarHBondContact O-N 2.9Å; A1063-L1089 HydrophobicContact CB-CD1 4.19Å; A1063-L1089 HydrophobicContact CB-CD2 3.92Å |
| 1064 | R | 90.6 | Very high | 86.5 | Confident | 37 Ų | 37 | 31.9 Ų | 31.9 | 14% | 0.14 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.7 | -47.8 | 173.4 | -179.5 | 174.4 | -176.1 | 139.6 | 9.4 | 111.2 | L1047 D1048 L1050 T1051 S1060 Q1068 W1292 | L1047-R1064 HydrophobicContact CB-CG 4.14Å; L1047-R1064 HydrophobicContact CD1-CG 4.47Å; D1048-R1064 IonicContact OD1-CZ 2.75Å; D1048-R1064 IonicContact OD1-NH1 3.81Å; D1048-R1064 PolarHBondContact OD1-NH1 3.43Å; D1048-R1064 IonicContact OD1-NH2 3.62Å; D1048-R1064 PolarHBondContact OD1-NH2 2.95Å; L1050-R1064 HydrophobicContact CB-CB 4.41Å; L1050-R1064 HydrophobicContact CD1-CB 4.28Å; T1051-R1064 HydrophobicContact CG2-CB 4.19Å; T1051-R1064 PolarHBondContact OG1-NH1 3.3Å; S1060-R1064 WeakPolarHBondContact O-CB 3.12Å; S1060-R1064 PolarHBondContact O-N 3.18Å; R1064-Q1068 VanDerWaalsContact O-CB 3.25Å; R1064-Q1068 WeakPolarHBondContact O-CB 3.44Å; R1064-Q1068 PolarHBondContact O-N 3Å; R1064-W1292 HydrophobicContact CG-CH2 4.29Å; R1064-W1292 HydrophobicContact CG-CZ2 4.02Å |
| 1065 | Y | 86.1 | Confident | 87.3 | Confident | 8 Ų | 8 | 32.6 Ų | 32.6 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.8 | -46.5 | -179.2 | -169.2 | -102.5 | 0 | 0 | 0 | 112.1 | Y1061 L1062 A1063 Q1068 T1069 Y1087 F1283 W1292 W1293 | Y1061-Y1065 WeakPolarHBondContact O-CB 3.48Å; Y1061-Y1065 PolarHBondContact O-N 3.41Å; Y1061-Y1065 VanDerWaalsContact O-N 3.09Å; L1062-Y1065 PolarHBondContact O-N 3.26Å; A1063-Y1065 PolarHBondContact O-N 3.04Å; Y1065-Q1068 PolarHBondContact O-N 3.48Å; Y1065-T1069 PolarHBondContact O-N 2.94Å; Y1065-T1069 VanDerWaalsContact O-N 3.14Å; Y1065-T1069 PolarHBondContact O-OG1 3.08Å; Y1065-Y1087 HydrophobicContact CD1-CE2 4.36Å; Y1065-Y1087 WeakPolarHBondContact CD1-OH 3.5Å; Y1065-F1283 HydrophobicContact CD1-CZ 4.38Å; Y1065-F1283 HydrophobicContact CE1-CD1 4.45Å; Y1065-F1283 AromaticContact CE1-CE1 3.49Å; Y1065-F1283 HydrophobicContact CE1-CE1 3.49Å; Y1065-F1283 VanDerWaalsContact CE1-CE1 3.49Å; Y1065-F1283 HydrophobicContact CE1-CE2 4.46Å; Y1065-F1283 AromaticContact CE1-CZ 3.49Å; Y1065-F1283 HydrophobicContact CE1-CZ 3.49Å; Y1065-F1283 VanDerWaalsContact CE1-CZ 3.49Å; Y1065-F1283 AromaticContact CZ-CE1 3.6Å; Y1065-F1283 WeakPolarHBondContact OH-CD1 3.41Å; Y1065-F1283 WeakPolarHBondContact OH-CE1 3.31Å; Y1065-W1292 AromaticContact CD2-CH2 3.76Å; Y1065-W1292 HydrophobicContact CD2-CH2 3.76Å; Y1065-W1292 AromaticContact CD2-CZ3 3.99Å; Y1065-W1292 HydrophobicContact CD2-CZ3 3.99Å; Y1065-W1292 HydrophobicContact CG-CH2 4.33Å; Y1065-W1293 HydrophobicContact CD2-CD2 4.4Å; Y1065-W1293 HydrophobicContact CD2-CE3 4.31Å; Y1065-W1293 HydrophobicContact CE2-CB 4.28Å; Y1065-W1293 AromaticContact CE2-CD2 3.5Å; Y1065-W1293 HydrophobicContact CE2-CD2 3.5Å; Y1065-W1293 AromaticContact CE2-CE2 3.88Å; Y1065-W1293 AromaticContact CE2-CE3 3.81Å; Y1065-W1293 HydrophobicContact CE2-CE3 3.81Å; Y1065-W1293 AromaticContact CE2-CG 3.7Å; Y1065-W1293 HydrophobicContact CE2-CG 3.7Å; Y1065-W1293 HydrophobicContact CE2-CZ2 4.46Å; Y1065-W1293 HydrophobicContact CE2-CZ3 4.39Å; Y1065-W1293 AromaticContact CZ-CD2 3.94Å; Y1065-W1293 AromaticContact CZ-CE2 3.8Å; Y1065-W1293 VanDerWaalsContact OH-CE2 3.23Å; Y1065-W1293 PolarHBondContact OH-NE1 2.88Å |
| 1066 | L | 93.3 | Very high | 88 | Confident | 6 Ų | 6 | 32 Ų | 32 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.6 | -48.6 | 177.2 | 176 | 60.9 | 0 | 0 | 0 | 112.1 | L1062 A1063 Q1068 T1069 M1070 I1084 Y1087 L1089 F1090 | L1062-L1066 WeakPolarHBondContact O-CB 3.43Å; L1062-L1066 PolarHBondContact O-N 3.2Å; A1063-L1066 PolarHBondContact O-N 3.42Å; L1066-Q1068 VanDerWaalsContact C-N 3.29Å; L1066-Q1068 PolarHBondContact O-N 3.25Å; L1066-T1069 PolarHBondContact O-N 3.16Å; L1066-T1069 PolarHBondContact O-OG1 3.19Å; L1066-T1069 VanDerWaalsContact O-OG1 3.1Å; L1066-M1070 HydrophobicContact CD1-CG 4.05Å; L1066-M1070 HydrophobicContact CD1-SD 3.71Å; L1066-M1070 HydrophobicContact CD2-SD 4.31Å; L1066-M1070 HydrophobicContact CG-CG 4.44Å; L1066-M1070 HydrophobicContact CG-SD 3.66Å; L1066-M1070 WeakPolarHBondContact O-CB 3.24Å; L1066-M1070 WeakPolarHBondContact O-CG 3.19Å; L1066-M1070 PolarHBondContact O-N 2.94Å; L1066-I1084 HydrophobicContact CD1-CB 4.5Å; L1066-I1084 HydrophobicContact CD1-CG1 4.04Å; L1066-I1084 HydrophobicContact CD1-CG2 3.75Å; L1066-I1084 HydrophobicContact CD2-CG2 3.92Å; L1066-I1084 HydrophobicContact CG-CG2 4.43Å; L1066-Y1087 HydrophobicContact CB-CD1 4.1Å; L1066-Y1087 HydrophobicContact CB-CE1 3.73Å; L1066-Y1087 HydrophobicContact CD1-CD1 4.39Å; L1066-Y1087 HydrophobicContact CD1-CG 4.37Å; L1066-Y1087 HydrophobicContact CD2-CD1 3.8Å; L1066-Y1087 HydrophobicContact CD2-CE1 4.24Å; L1066-Y1087 HydrophobicContact CD2-CG 4.42Å; L1066-Y1087 HydrophobicContact CG-CD1 4.31Å; L1066-Y1087 HydrophobicContact CG-CE1 4.44Å; L1066-L1089 HydrophobicContact CD2-CD2 4.07Å; L1066-F1090 HydrophobicContact CD2-CE2 4.02Å; L1066-F1090 HydrophobicContact CD2-CZ 3.89Å |
| 1067 | I | 95.2 | Very high | 88.5 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.015 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.5 | -37.2 | 179.4 | -71.4 | 166.9 | 0 | 0 | 0 | 110.7 | A961 L965 L1047 L1050 A1063 T1069 M1070 L1071 | A961-I1067 HydrophobicContact CB-CD1 3.87Å; A961-I1067 HydrophobicContact CB-CG1 3.86Å; L965-I1067 HydrophobicContact CD1-CD1 3.77Å; L1047-I1067 HydrophobicContact CD1-CG2 4.37Å; L1047-I1067 HydrophobicContact CD2-CG2 3.68Å; L1050-I1067 HydrophobicContact CD1-CB 4.47Å; L1050-I1067 HydrophobicContact CD1-CD1 3.77Å; A1063-I1067 VanDerWaalsContact O-CB 3.32Å; A1063-I1067 WeakPolarHBondContact O-CB 3.2Å; A1063-I1067 VanDerWaalsContact O-CG1 3.31Å; A1063-I1067 WeakPolarHBondContact O-CG1 3.39Å; A1063-I1067 PolarHBondContact O-N 2.9Å; I1067-T1069 PolarHBondContact O-N 2.92Å; I1067-M1070 PolarHBondContact O-N 2.61Å; I1067-L1071 HydrophobicContact CG2-CD1 3.68Å; I1067-L1071 HydrophobicContact CG2-CG 4.24Å; I1067-L1071 VanDerWaalsContact O-CB 3.31Å; I1067-L1071 WeakPolarHBondContact O-CB 3.47Å; I1067-L1071 VanDerWaalsContact O-CG 3.25Å; I1067-L1071 WeakPolarHBondContact O-CG 3.29Å; I1067-L1071 PolarHBondContact O-N 3.22Å |
| 1068 | Q | 92.5 | Very high | 89.2 | Confident | 34 Ų | 34 | 33.1 Ų | 33.1 | 16% | 0.159 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65 | -38 | 178.4 | -167.8 | 168.3 | -11.5 | 0 | 0 | 112.9 | L1047 R1064 Y1065 L1066 S1072 C1290 | L1047-Q1068 HydrophobicContact CD1-CB 3.54Å; L1047-Q1068 HydrophobicContact CD1-CG 3.93Å; R1064-Q1068 VanDerWaalsContact O-CB 3.25Å; R1064-Q1068 WeakPolarHBondContact O-CB 3.44Å; R1064-Q1068 PolarHBondContact O-N 3Å; Y1065-Q1068 PolarHBondContact O-N 3.48Å; L1066-Q1068 VanDerWaalsContact C-N 3.29Å; L1066-Q1068 PolarHBondContact O-N 3.25Å; Q1068-S1072 PolarHBondContact O-N 3.48Å; Q1068-C1290 PolarHBondContact NE2-SG 3.19Å |
| 1069 | T | 91.1 | Very high | 89.8 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 4% | 0.043 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -78.1 | -35.7 | 176.5 | 56.7 | 0 | 0 | 0 | 0 | 112.5 | Y1065 L1066 I1067 L1071 S1072 F1283 | Y1065-T1069 PolarHBondContact O-N 2.94Å; Y1065-T1069 VanDerWaalsContact O-N 3.14Å; Y1065-T1069 PolarHBondContact O-OG1 3.08Å; L1066-T1069 PolarHBondContact O-N 3.16Å; L1066-T1069 PolarHBondContact O-OG1 3.19Å; L1066-T1069 VanDerWaalsContact O-OG1 3.1Å; I1067-T1069 PolarHBondContact O-N 2.92Å; T1069-L1071 PolarHBondContact O-N 3.34Å; T1069-S1072 PolarHBondContact O-N 3.38Å; T1069-F1283 HydrophobicContact CG2-CE1 4.05Å; T1069-F1283 HydrophobicContact CG2-CZ 4.04Å |
| 1070 | M | 95.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.6 | -31.4 | 170.9 | -69.1 | 172.8 | 77.5 | 0 | 0 | 112.4 | I764 I954 F955 C957 L1066 I1067 R1078 P1079 I1084 | I764-M1070 HydrophobicContact CD1-CE 4.05Å; I954-M1070 HydrophobicContact CG2-CB 4.02Å; I954-M1070 HydrophobicContact CG2-CE 4.24Å; I954-M1070 HydrophobicContact CG2-CG 3.85Å; F955-M1070 WeakPolarHBondContact CA-O 3.38Å; C957-M1070 HydrophobicContact CB-CE 3.4Å; L1066-M1070 HydrophobicContact CD1-CG 4.05Å; L1066-M1070 HydrophobicContact CD1-SD 3.71Å; L1066-M1070 HydrophobicContact CD2-SD 4.31Å; L1066-M1070 HydrophobicContact CG-CG 4.44Å; L1066-M1070 HydrophobicContact CG-SD 3.66Å; L1066-M1070 WeakPolarHBondContact O-CB 3.24Å; L1066-M1070 WeakPolarHBondContact O-CG 3.19Å; L1066-M1070 PolarHBondContact O-N 2.94Å; I1067-M1070 PolarHBondContact O-N 2.61Å; M1070-R1078 WeakPolarHBondContact O-CD 3.37Å; M1070-P1079 HydrophobicContact CG-CG 4.28Å; M1070-I1084 HydrophobicContact CE-CD1 3.86Å; M1070-I1084 HydrophobicContact CG-CD1 3.98Å; M1070-I1084 HydrophobicContact SD-CD1 3.97Å |
| 1071 | L | 95.1 | Very high | 90.6 | Very high | 5 Ų | 5 | 30.5 Ų | 30.5 | 3% | 0.026 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 18 | 176.6 | -63.1 | 179.2 | 0 | 0 | 0 | 114.2 | F955 L959 P971 P1045 L1047 I1067 T1069 | F955-L1071 HydrophobicContact CD1-CD2 4.25Å; F955-L1071 HydrophobicContact CD2-CD2 3.88Å; F955-L1071 HydrophobicContact CE1-CD2 4.2Å; F955-L1071 HydrophobicContact CE2-CB 4.21Å; F955-L1071 HydrophobicContact CE2-CD2 3.81Å; F955-L1071 HydrophobicContact CG-CD2 4.1Å; F955-L1071 HydrophobicContact CZ-CD2 3.98Å; F955-L1071 WeakPolarHBondContact O-CD2 3.32Å; L959-L1071 HydrophobicContact CD2-CD1 4.23Å; L959-L1071 HydrophobicContact CD2-CD2 3.63Å; L959-L1071 HydrophobicContact CG-CD2 3.78Å; P971-L1071 HydrophobicContact CG-CD1 4.05Å; P1045-L1071 HydrophobicContact CB-CD1 4.02Å; P1045-L1071 HydrophobicContact CG-CB 4.29Å; P1045-L1071 HydrophobicContact CG-CD1 4.15Å; L1047-L1071 HydrophobicContact CD2-CD1 4.41Å; I1067-L1071 HydrophobicContact CG2-CD1 3.68Å; I1067-L1071 HydrophobicContact CG2-CG 4.24Å; I1067-L1071 VanDerWaalsContact O-CB 3.31Å; I1067-L1071 WeakPolarHBondContact O-CB 3.47Å; I1067-L1071 VanDerWaalsContact O-CG 3.25Å; I1067-L1071 WeakPolarHBondContact O-CG 3.29Å; I1067-L1071 PolarHBondContact O-N 3.22Å; T1069-L1071 PolarHBondContact O-N 3.34Å |
| 1072 | S | 91.5 | Very high | 91 | Very high | 26 Ų | 26 | 29.5 Ų | 29.5 | 18% | 0.182 | 16% | 0.155 | C | C | . | . | trans | -60.9 | 143.9 | 174.5 | -169.3 | 0 | 0 | 0 | 0 | 111.4 | Q1068 T1069 D1077 R1078 | Q1068-S1072 PolarHBondContact O-N 3.48Å; T1069-S1072 PolarHBondContact O-N 3.38Å; S1072-D1077 WeakPolarHBondContact OG-CB 3.18Å; S1072-D1077 PolarHBondContact OG-OD2 2.67Å; S1072-R1078 PolarHBondContact O-NE 2.71Å; S1072-R1078 PolarHBondContact O-NH2 3.29Å | ||
| 1073 | S | 87.5 | Confident | 91.1 | Very high | 41 Ų | 41 | 30 Ų | 30 | 29% | 0.287 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -70.8 | -30.9 | 177.7 | -64.7 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1074 | D | 86.3 | Confident | 91.2 | Very high | 65 Ų | 65 | 30 Ų | 30 | 35% | 0.348 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -84.5 | 124.3 | 170.1 | -166.1 | -38.4 | 0 | 0 | 0 | 109.8 | K1076 D1077 | D1074-K1076 PolarHBondContact O-N 3.25Å; D1074-K1076 WeakPolarHBondContact OD1-CB 3.35Å; D1074-K1076 VanDerWaalsContact OD1-CG 3.27Å; D1074-K1076 WeakPolarHBondContact OD1-CG 3.34Å; D1074-K1076 PolarHBondContact OD1-N 3.46Å; D1074-D1077 PolarHBondContact O-N 2.95Å |
| 1075 | P | 89 | Confident | 91.3 | Very high | 35 Ų | 35 | 29.7 Ų | 29.7 | 23% | 0.227 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -21.4 | 174.5 | -23.8 | 35.5 | 0 | 0 | 0 | 114.4 | E938 A951 | E938-P1075 HydrophobicContact CB-CG 4.26Å; E938-P1075 VanDerWaalsContact CD-CG 3.49Å; E938-P1075 HydrophobicContact CG-CG 4.07Å; E938-P1075 WeakPolarHBondContact OE1-CG 3.16Å; A951-P1075 HydrophobicContact CB-CB 3.75Å |
| 1076 | K | 86 | Confident | 91.6 | Very high | 157 Ų | 157 | 32.2 Ų | 32.2 | 68% | 0.683 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -37.3 | 178.7 | -63.9 | 167.8 | -173.9 | 165.3 | 0 | 112.3 | D1074 R1078 K1281 | D1074-K1076 PolarHBondContact O-N 3.25Å; D1074-K1076 WeakPolarHBondContact OD1-CB 3.35Å; D1074-K1076 VanDerWaalsContact OD1-CG 3.27Å; D1074-K1076 WeakPolarHBondContact OD1-CG 3.34Å; D1074-K1076 PolarHBondContact OD1-N 3.46Å; K1076-R1078 VanDerWaalsContact C-N 3.27Å; K1076-R1078 PolarHBondContact O-N 3.42Å; K1076-K1281 WeakPolarHBondContact O-CD 3.42Å; K1076-K1281 WeakPolarHBondContact O-CE 3.37Å; K1076-K1281 PolarHBondContact O-NZ 3.11Å |
| 1077 | D | 86.9 | Confident | 91.7 | Very high | 84 Ų | 84 | 32.4 Ų | 32.4 | 45% | 0.449 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -26.1 | 178.6 | -67.2 | -22.7 | 0 | 0 | 0 | 112.9 | S1072 D1074 | S1072-D1077 WeakPolarHBondContact OG-CB 3.18Å; S1072-D1077 PolarHBondContact OG-OD2 2.67Å; D1074-D1077 PolarHBondContact O-N 2.95Å |
| 1078 | R | 91.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -67.4 | 129.1 | -175.9 | -57.7 | -176.5 | -159.8 | 141.2 | 14 | 110.4 | E938 A951 I954 M1070 S1072 K1076 K1281 | E938-R1078 IonicContact OE1-CZ 2.66Å; E938-R1078 IonicContact OE1-NH1 3.78Å; E938-R1078 PolarHBondContact OE1-NH1 2.95Å; E938-R1078 IonicContact OE1-NH2 3.18Å; E938-R1078 IonicContact OE2-CZ 3.6Å; E938-R1078 IonicContact OE2-NH1 3.29Å; E938-R1078 PolarHBondContact OE2-NH1 3.02Å; E938-R1078 IonicContact OE2-NH2 3.44Å; E938-R1078 PolarHBondContact OE2-NH2 3.4Å; A951-R1078 PolarHBondContact O-NH1 3.48Å; I954-R1078 HydrophobicContact CB-CB 4.49Å; I954-R1078 HydrophobicContact CG2-CB 4.11Å; M1070-R1078 WeakPolarHBondContact O-CD 3.37Å; S1072-R1078 PolarHBondContact O-NE 2.71Å; S1072-R1078 PolarHBondContact O-NH2 3.29Å; K1076-R1078 VanDerWaalsContact C-N 3.27Å; K1076-R1078 PolarHBondContact O-N 3.42Å; R1078-K1281 PolarHBondContact O-NZ 2.92Å |
| 1079 | P | 91.8 | Very high | 91.6 | Very high | 12 Ų | 12 | 31.2 Ų | 31.2 | 8% | 0.078 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 151.3 | 175.3 | 27.4 | -33.6 | 0 | 0 | 0 | 111.1 | I954 M1070 E1083 I1084 | I954-P1079 WeakPolarHBondContact CG1-O 3.46Å; I954-P1079 WeakPolarHBondContact CG2-O 3.45Å; M1070-P1079 HydrophobicContact CG-CG 4.28Å; P1079-E1083 HydrophobicContact CB-CB 4.41Å; P1079-I1084 HydrophobicContact CB-CD1 4.49Å; P1079-I1084 HydrophobicContact CB-CG1 4.01Å; P1079-I1084 HydrophobicContact CG-CD1 4.02Å; P1079-I1084 HydrophobicContact CG-CG1 3.82Å |
| 1080 | T | 93 | Very high | 91.7 | Very high | 45 Ų | 45 | 32 Ų | 32 | 28% | 0.276 | 17% | 0.167 | S | C | . | . | P | Polyproline II helix | trans | -68.7 | 154.3 | 172.7 | 62.6 | 0 | 0 | 0 | 0 | 111.1 | E1082 E1083 I1084 | T1080-E1082 PolarHBondContact O-N 3.35Å; T1080-E1083 WeakPolarHBondContact CB-OE2 3.38Å; T1080-E1083 WeakPolarHBondContact CG2-OE2 3.37Å; T1080-E1083 PolarHBondContact N-OE2 2.82Å; T1080-E1083 PolarHBondContact O-N 3.38Å; T1080-E1083 WeakPolarHBondContact OG1-CB 3.24Å; T1080-E1083 VanDerWaalsContact OG1-CG 3.27Å; T1080-E1083 WeakPolarHBondContact OG1-CG 3.44Å; T1080-E1083 PolarHBondContact OG1-N 2.84Å; T1080-E1083 PolarHBondContact OG1-OE2 3.49Å; T1080-I1084 WeakPolarHBondContact O-CG1 3.34Å; T1080-I1084 PolarHBondContact O-N 3.06Å; T1080-I1084 VanDerWaalsContact O-N 3.12Å |
| 1081 | A | 94.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 2% | 0.017 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.5 | -34.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | V767 A768 H771 I954 I1084 T1085 | V767-A1081 HydrophobicContact CB-CB 4.48Å; V767-A1081 HydrophobicContact CG1-CB 3.99Å; A768-A1081 HydrophobicContact CB-CB 3.91Å; H771-A1081 WeakPolarHBondContact ND1-CB 3.45Å; I954-A1081 HydrophobicContact CD1-CB 3.72Å; I954-A1081 VanDerWaalsContact CD1-N 3.34Å; A1081-I1084 PolarHBondContact O-N 3.49Å; A1081-T1085 PolarHBondContact O-N 2.88Å |
| 1082 | E | 92 | Very high | 91.5 | Very high | 45 Ų | 45 | 35.8 Ų | 35.8 | 21% | 0.21 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.8 | -39.9 | 178.3 | -166.2 | 160 | -141.7 | 0 | 0 | 112.5 | R772 T1080 I1084 T1085 Y1086 I1279 | R772-E1082 IonicContact CZ-OE1 3.56Å; R772-E1082 IonicContact NH1-OE1 2.88Å; R772-E1082 PolarHBondContact NH1-OE1 2.85Å; T1080-E1082 PolarHBondContact O-N 3.35Å; E1082-I1084 VanDerWaalsContact C-N 3.3Å; E1082-I1084 PolarHBondContact O-N 2.55Å; E1082-T1085 PolarHBondContact O-N 2.79Å; E1082-T1085 PolarHBondContact O-OG1 2.69Å; E1082-Y1086 WeakPolarHBondContact O-CD2 3.47Å; E1082-I1279 HydrophobicContact CB-CG2 4.01Å; E1082-I1279 HydrophobicContact CG-CD1 4.07Å; E1082-I1279 HydrophobicContact CG-CG2 4.31Å; E1082-I1279 WeakPolarHBondContact OE2-CD1 3.47Å |
| 1083 | E | 91.6 | Very high | 91.5 | Very high | 11 Ų | 11 | 36.5 Ų | 36.5 | 5% | 0.051 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.4 | -41.5 | 168.5 | -77.1 | 164.9 | 110.5 | 0 | 0 | 112.6 | P1079 T1080 T1085 Y1086 P1275 I1279 C1280 K1281 | P1079-E1083 HydrophobicContact CB-CB 4.41Å; T1080-E1083 WeakPolarHBondContact CB-OE2 3.38Å; T1080-E1083 WeakPolarHBondContact CG2-OE2 3.37Å; T1080-E1083 PolarHBondContact N-OE2 2.82Å; T1080-E1083 PolarHBondContact O-N 3.38Å; T1080-E1083 WeakPolarHBondContact OG1-CB 3.24Å; T1080-E1083 VanDerWaalsContact OG1-CG 3.27Å; T1080-E1083 WeakPolarHBondContact OG1-CG 3.44Å; T1080-E1083 PolarHBondContact OG1-N 2.84Å; T1080-E1083 PolarHBondContact OG1-OE2 3.49Å; E1083-T1085 PolarHBondContact O-N 3.24Å; E1083-Y1086 WeakPolarHBondContact O-CB 3.4Å; E1083-Y1086 PolarHBondContact O-N 2.84Å; E1083-P1275 HydrophobicContact CG-CB 4.1Å; E1083-P1275 HydrophobicContact CG-CG 4.19Å; E1083-I1279 HydrophobicContact CG-CG2 4.1Å; E1083-C1280 VanDerWaalsContact OE1-CA 3.28Å; E1083-C1280 WeakPolarHBondContact OE1-CA 3.2Å; E1083-K1281 PolarHBondContact OE1-N 3.12Å |
| 1084 | I | 94.2 | Very high | 91.7 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.015 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.2 | -29 | -177.1 | -59.2 | 160.4 | 0 | 0 | 0 | 111.3 | I764 I954 L1066 M1070 P1079 T1080 A1081 E1082 Y1086 Y1087 F1090 | I764-I1084 HydrophobicContact CD1-CG2 3.63Å; I764-I1084 HydrophobicContact CG2-CB 4.03Å; I764-I1084 HydrophobicContact CG2-CG2 3.98Å; I954-I1084 HydrophobicContact CD1-CD1 4.32Å; I954-I1084 HydrophobicContact CG2-CD1 4.11Å; L1066-I1084 HydrophobicContact CD1-CB 4.5Å; L1066-I1084 HydrophobicContact CD1-CG1 4.04Å; L1066-I1084 HydrophobicContact CD1-CG2 3.75Å; L1066-I1084 HydrophobicContact CD2-CG2 3.92Å; L1066-I1084 HydrophobicContact CG-CG2 4.43Å; M1070-I1084 HydrophobicContact CE-CD1 3.86Å; M1070-I1084 HydrophobicContact CG-CD1 3.98Å; M1070-I1084 HydrophobicContact SD-CD1 3.97Å; P1079-I1084 HydrophobicContact CB-CD1 4.49Å; P1079-I1084 HydrophobicContact CB-CG1 4.01Å; P1079-I1084 HydrophobicContact CG-CD1 4.02Å; P1079-I1084 HydrophobicContact CG-CG1 3.82Å; T1080-I1084 WeakPolarHBondContact O-CG1 3.34Å; T1080-I1084 PolarHBondContact O-N 3.06Å; T1080-I1084 VanDerWaalsContact O-N 3.12Å; A1081-I1084 PolarHBondContact O-N 3.49Å; E1082-I1084 VanDerWaalsContact C-N 3.3Å; E1082-I1084 PolarHBondContact O-N 2.55Å; I1084-Y1086 PolarHBondContact O-N 3.44Å; I1084-Y1087 WeakPolarHBondContact O-CB 3.44Å; I1084-Y1087 PolarHBondContact O-N 3.2Å; I1084-F1090 HydrophobicContact CG2-CE2 3.74Å; I1084-F1090 HydrophobicContact CG2-CZ 4.37Å; I1084-F1090 WeakPolarHBondContact O-CD2 3.25Å; I1084-F1090 WeakPolarHBondContact O-CE2 3.37Å |
| 1085 | T | 93.3 | Very high | 92.1 | Very high | 32 Ų | 32 | 35.5 Ų | 35.5 | 20% | 0.196 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -22 | 173.6 | 70.1 | 0 | 0 | 0 | 0 | 114.1 | I764 L765 A768 A1081 E1082 E1083 | I764-T1085 HydrophobicContact CG2-CG2 4.32Å; L765-T1085 HydrophobicContact CD2-CG2 3.85Å; A768-T1085 HydrophobicContact CB-CG2 4.12Å; A1081-T1085 PolarHBondContact O-N 2.88Å; E1082-T1085 PolarHBondContact O-N 2.79Å; E1082-T1085 PolarHBondContact O-OG1 2.69Å; E1083-T1085 PolarHBondContact O-N 3.24Å |
| 1086 | Y | 92 | Very high | 92.4 | Very high | 61 Ų | 61 | 34 Ų | 34 | 24% | 0.239 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -8.8 | 175.4 | -72.5 | -101.1 | 0 | 0 | 0 | 113 | E1082 E1083 I1084 W1091 P1275 | E1082-Y1086 WeakPolarHBondContact O-CD2 3.47Å; E1083-Y1086 WeakPolarHBondContact O-CB 3.4Å; E1083-Y1086 PolarHBondContact O-N 2.84Å; I1084-Y1086 PolarHBondContact O-N 3.44Å; Y1086-W1091 PolarHBondContact O-NE1 2.72Å; Y1086-P1275 HydrophobicContact CD2-CB 4.13Å; Y1086-P1275 HydrophobicContact CG-CB 4.24Å |
| 1087 | Y | 94.5 | Very high | 92.8 | Very high | 9 Ų | 9 | 26.6 Ų | 26.6 | 4% | 0.035 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -68.3 | 141.5 | -169.9 | -168.3 | -103.7 | 0 | 0 | 0 | 113.1 | L1062 Y1065 L1066 I1084 L1089 F1090 Y1257 | L1062-Y1087 HydrophobicContact CB-CE1 4Å; L1062-Y1087 HydrophobicContact CD2-CE1 3.99Å; L1062-Y1087 WeakPolarHBondContact CD2-OH 3.43Å; L1062-Y1087 WeakPolarHBondContact O-CE1 3.43Å; L1062-Y1087 PolarHBondContact O-OH 3.15Å; Y1065-Y1087 HydrophobicContact CD1-CE2 4.36Å; Y1065-Y1087 WeakPolarHBondContact CD1-OH 3.5Å; L1066-Y1087 HydrophobicContact CB-CD1 4.1Å; L1066-Y1087 HydrophobicContact CB-CE1 3.73Å; L1066-Y1087 HydrophobicContact CD1-CD1 4.39Å; L1066-Y1087 HydrophobicContact CD1-CG 4.37Å; L1066-Y1087 HydrophobicContact CD2-CD1 3.8Å; L1066-Y1087 HydrophobicContact CD2-CE1 4.24Å; L1066-Y1087 HydrophobicContact CD2-CG 4.42Å; L1066-Y1087 HydrophobicContact CG-CD1 4.31Å; L1066-Y1087 HydrophobicContact CG-CE1 4.44Å; I1084-Y1087 WeakPolarHBondContact O-CB 3.44Å; I1084-Y1087 PolarHBondContact O-N 3.2Å; Y1087-L1089 HydrophobicContact CD1-CB 3.65Å; Y1087-L1089 HydrophobicContact CE1-CB 3.93Å; Y1087-L1089 PolarHBondContact O-N 3.15Å; Y1087-F1090 PolarHBondContact O-N 3.13Å; Y1087-F1090 VanDerWaalsContact O-N 3.1Å; Y1087-Y1257 HydrophobicContact CD2-CD1 4.38Å; Y1087-Y1257 AromaticContact CD2-CE1 3.75Å; Y1087-Y1257 HydrophobicContact CD2-CE1 3.75Å; Y1087-Y1257 HydrophobicContact CE2-CD1 4.2Å; Y1087-Y1257 AromaticContact CE2-CE1 3.95Å; Y1087-Y1257 HydrophobicContact CE2-CE1 3.95Å |
| 1088 | P | 93.4 | Very high | 93.1 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 3% | 0.026 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -62.1 | -18.8 | -170.3 | -25.8 | 35 | 0 | 0 | 0 | 116.4 | L1062 F1090 W1091 L1253 Y1257 | L1062-P1088 HydrophobicContact CD1-CB 4.24Å; L1062-P1088 HydrophobicContact CD2-CB 4.09Å; L1062-P1088 HydrophobicContact CD2-CG 4.43Å; P1088-F1090 PolarHBondContact O-N 3.06Å; P1088-F1090 VanDerWaalsContact O-N 3.15Å; P1088-W1091 HydrophobicContact CB-CD2 4.14Å; P1088-W1091 HydrophobicContact CB-CE3 4.22Å; P1088-W1091 HydrophobicContact CB-CZ2 4.48Å; P1088-W1091 HydrophobicContact CB-CZ3 4.41Å; P1088-W1091 HydrophobicContact CG-CH2 4.14Å; P1088-W1091 HydrophobicContact CG-CZ2 4.04Å; P1088-W1091 HydrophobicContact CG-CZ3 4.44Å; P1088-W1091 WeakPolarHBondContact O-CB 3.42Å; P1088-W1091 PolarHBondContact O-N 3.26Å; P1088-W1091 VanDerWaalsContact O-N 3.17Å; P1088-L1253 HydrophobicContact CB-CD1 4.22Å; P1088-L1253 HydrophobicContact CB-CD2 4.01Å; P1088-L1253 HydrophobicContact CB-CG 4.03Å; P1088-Y1257 HydrophobicContact CG-CD1 3.89Å; P1088-Y1257 HydrophobicContact CG-CD2 3.36Å; P1088-Y1257 HydrophobicContact CG-CE1 4.37Å; P1088-Y1257 HydrophobicContact CG-CE2 3.88Å; P1088-Y1257 HydrophobicContact CG-CG 3.36Å |
| 1089 | L | 93 | Very high | 93.3 | Very high | 9 Ų | 9 | 27 Ų | 27 | 5% | 0.047 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -57.5 | -25.1 | 174.5 | -172.6 | 64.5 | 0 | 0 | 0 | 112.7 | V757 E1059 L1062 A1063 L1066 Y1087 | V757-L1089 HydrophobicContact CG1-CG 4.17Å; V757-L1089 VanDerWaalsContact CG1-O 3.24Å; V757-L1089 WeakPolarHBondContact CG1-O 3.21Å; V757-L1089 HydrophobicContact CG2-CD1 4.24Å; V757-L1089 HydrophobicContact CG2-CG 4.48Å; E1059-L1089 HydrophobicContact CB-CD1 4.01Å; E1059-L1089 HydrophobicContact CG-CD1 4.16Å; L1062-L1089 HydrophobicContact CB-CB 4.31Å; L1062-L1089 HydrophobicContact CB-CD1 4.07Å; A1063-L1089 HydrophobicContact CB-CD1 4.19Å; A1063-L1089 HydrophobicContact CB-CD2 3.92Å; L1066-L1089 HydrophobicContact CD2-CD2 4.07Å; Y1087-L1089 HydrophobicContact CD1-CB 3.65Å; Y1087-L1089 HydrophobicContact CE1-CB 3.93Å; Y1087-L1089 PolarHBondContact O-N 3.15Å |
| 1090 | F | 94 | Very high | 93.5 | Very high | 24 Ų | 24 | 26.5 Ų | 26.5 | 11% | 0.105 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -103.5 | 7.3 | -177.4 | -47.6 | -58.2 | 0 | 0 | 0 | 113.6 | V757 I760 H761 I764 L1066 I1084 Y1087 P1088 | V757-F1090 HydrophobicContact CG1-CD1 3.91Å; V757-F1090 HydrophobicContact CG1-CE1 4.25Å; I760-F1090 HydrophobicContact CB-CE1 4.25Å; I760-F1090 HydrophobicContact CG2-CE1 3.81Å; I760-F1090 HydrophobicContact CG2-CZ 3.77Å; H761-F1090 HydrophobicContact CB-CD1 3.57Å; H761-F1090 HydrophobicContact CB-CE1 4Å; H761-F1090 HydrophobicContact CB-CG 4.13Å; H761-F1090 AromaticContact CD2-CG 3.93Å; H761-F1090 AromaticContact CG-CD1 3.86Å; H761-F1090 AromaticContact CG-CG 3.9Å; I764-F1090 HydrophobicContact CD1-CZ 4.33Å; L1066-F1090 HydrophobicContact CD2-CE2 4.02Å; L1066-F1090 HydrophobicContact CD2-CZ 3.89Å; I1084-F1090 HydrophobicContact CG2-CE2 3.74Å; I1084-F1090 HydrophobicContact CG2-CZ 4.37Å; I1084-F1090 WeakPolarHBondContact O-CD2 3.25Å; I1084-F1090 WeakPolarHBondContact O-CE2 3.37Å; Y1087-F1090 PolarHBondContact O-N 3.13Å; Y1087-F1090 VanDerWaalsContact O-N 3.1Å; P1088-F1090 PolarHBondContact O-N 3.06Å; P1088-F1090 VanDerWaalsContact O-N 3.15Å |
| 1091 | W | 93.2 | Very high | 93.6 | Very high | 25 Ų | 25 | 24.7 Ų | 24.7 | 10% | 0.095 | 12% | 0.123 | C | C | . | . | trans | -83 | 145.8 | -178.9 | -70 | 12 | 0 | 0 | 0 | 111.7 | Y1086 P1088 K1095 V1096 F1099 L1253 Y1257 F1273 | Y1086-W1091 PolarHBondContact O-NE1 2.72Å; P1088-W1091 HydrophobicContact CB-CD2 4.14Å; P1088-W1091 HydrophobicContact CB-CE3 4.22Å; P1088-W1091 HydrophobicContact CB-CZ2 4.48Å; P1088-W1091 HydrophobicContact CB-CZ3 4.41Å; P1088-W1091 HydrophobicContact CG-CH2 4.14Å; P1088-W1091 HydrophobicContact CG-CZ2 4.04Å; P1088-W1091 HydrophobicContact CG-CZ3 4.44Å; P1088-W1091 WeakPolarHBondContact O-CB 3.42Å; P1088-W1091 PolarHBondContact O-N 3.26Å; P1088-W1091 VanDerWaalsContact O-N 3.17Å; W1091-K1095 HydrophobicContact CB-CB 4.16Å; W1091-K1095 HydrophobicContact CB-CD 4.2Å; W1091-K1095 HydrophobicContact CB-CG 4.35Å; W1091-K1095 HydrophobicContact CD2-CD 3.9Å; W1091-K1095 HydrophobicContact CD2-CG 3.99Å; W1091-K1095 HydrophobicContact CE3-CG 4.13Å; W1091-K1095 HydrophobicContact CG-CB 4.44Å; W1091-K1095 HydrophobicContact CG-CD 3.71Å; W1091-K1095 HydrophobicContact CG-CG 4.09Å; W1091-V1096 HydrophobicContact CB-CG2 4.03Å; W1091-V1096 HydrophobicContact CE3-CG2 4Å; W1091-F1099 HydrophobicContact CE3-CB 4.36Å; W1091-F1099 HydrophobicContact CH2-CB 4.04Å; W1091-F1099 AromaticContact CH2-CD1 3.77Å; W1091-F1099 HydrophobicContact CH2-CD1 3.77Å; W1091-F1099 AromaticContact CH2-CD2 3.89Å; W1091-F1099 HydrophobicContact CH2-CD2 3.89Å; W1091-F1099 HydrophobicContact CH2-CE1 4.13Å; W1091-F1099 HydrophobicContact CH2-CE2 4.26Å; W1091-F1099 AromaticContact CH2-CG 3.63Å; W1091-F1099 HydrophobicContact CH2-CG 3.63Å; W1091-F1099 HydrophobicContact CH2-CZ 4.37Å; W1091-F1099 HydrophobicContact CZ3-CB 3.47Å; W1091-F1099 VanDerWaalsContact CZ3-CB 3.47Å; W1091-F1099 AromaticContact CZ3-CD1 3.5Å; W1091-F1099 HydrophobicContact CZ3-CD1 3.5Å; W1091-F1099 VanDerWaalsContact CZ3-CD1 3.5Å; W1091-F1099 HydrophobicContact CZ3-CD2 4.18Å; W1091-F1099 HydrophobicContact CZ3-CE1 4.23Å; W1091-F1099 AromaticContact CZ3-CG 3.45Å; W1091-F1099 HydrophobicContact CZ3-CG 3.45Å; W1091-F1099 VanDerWaalsContact CZ3-CG 3.45Å; W1091-L1253 HydrophobicContact CZ3-CD1 4.2Å; W1091-Y1257 AromaticContact CH2-CD2 3.98Å; W1091-Y1257 HydrophobicContact CH2-CD2 3.98Å; W1091-Y1257 HydrophobicContact CH2-CE2 4.43Å; W1091-Y1257 HydrophobicContact CZ2-CD2 4.01Å; W1091-Y1257 HydrophobicContact CZ2-CE2 4.02Å; W1091-F1273 HydrophobicContact CH2-CB 3.91Å; W1091-F1273 AromaticContact CH2-CD1 3.99Å; W1091-F1273 HydrophobicContact CH2-CD1 3.99Å; W1091-F1273 HydrophobicContact CH2-CG 4.38Å; W1091-F1273 HydrophobicContact CZ2-CB 3.98Å; W1091-F1273 HydrophobicContact CZ2-CD1 4.32Å; W1091-F1273 WeakPolarHBondContact CZ2-O 3.38Å; W1091-F1273 HydrophobicContact CZ3-CD1 4.18Å | ||
| 1092 | S | 92.1 | Very high | 93.5 | Very high | 60 Ų | 60 | 26.8 Ų | 26.8 | 42% | 0.42 | 13% | 0.132 | S | C | . | . | trans | -67.9 | 153.3 | 165.4 | 64 | 0 | 0 | 0 | 0 | 110.5 | N1094 K1095 V1096 | S1092-N1094 PolarHBondContact O-N 2.91Å; S1092-N1094 VanDerWaalsContact O-N 3.15Å; S1092-K1095 WeakPolarHBondContact O-CA 3.12Å; S1092-K1095 PolarHBondContact O-N 3.3Å; S1092-K1095 PolarHBondContact OG-N 2.96Å; S1092-V1096 PolarHBondContact O-N 2.87Å | ||
| 1093 | P | 91.3 | Very high | 93.6 | Very high | 40 Ų | 40 | 24.7 Ų | 24.7 | 26% | 0.26 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -53.9 | -34.6 | 173.3 | -27.1 | 36 | 0 | 0 | 0 | 112.6 | V1096 I1097 E1239 A1242 I1243 | P1093-V1096 WeakPolarHBondContact O-CB 3.35Å; P1093-V1096 PolarHBondContact O-N 3.48Å; P1093-I1097 PolarHBondContact O-N 3.46Å; P1093-E1239 HydrophobicContact CB-CB 3.76Å; P1093-E1239 HydrophobicContact CB-CG 4.16Å; P1093-E1239 HydrophobicContact CG-CB 4.3Å; P1093-A1242 HydrophobicContact CB-CB 3.84Å; P1093-A1242 WeakPolarHBondContact O-CB 3.49Å; P1093-I1243 HydrophobicContact CB-CG1 4.35Å; P1093-I1243 HydrophobicContact CG-CD1 4.23Å; P1093-I1243 HydrophobicContact CG-CG1 4.25Å |
| 1094 | N | 92.3 | Very high | 93.7 | Very high | 45 Ų | 45 | 24.3 Ų | 24.3 | 24% | 0.241 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.8 | -42.5 | 172.7 | -161.7 | -74.1 | 0 | 0 | 0 | 112.9 | S1092 V1096 I1097 R1098 Q1238 E1239 | S1092-N1094 PolarHBondContact O-N 2.91Å; S1092-N1094 VanDerWaalsContact O-N 3.15Å; N1094-V1096 VanDerWaalsContact C-N 3.34Å; N1094-V1096 PolarHBondContact O-N 3.19Å; N1094-I1097 WeakPolarHBondContact O-CG2 3.29Å; N1094-I1097 PolarHBondContact O-N 2.91Å; N1094-R1098 WeakPolarHBondContact O-CB 3.29Å; N1094-R1098 WeakPolarHBondContact O-CG 3.41Å; N1094-R1098 PolarHBondContact O-N 3.47Å; N1094-R1098 VanDerWaalsContact OD1-CD 3.28Å; N1094-R1098 WeakPolarHBondContact OD1-CD 3.38Å; N1094-Q1238 PolarHBondContact ND2-OE1 3.18Å; N1094-E1239 HydrophobicContact CB-CG 4.45Å |
| 1095 | K | 94.8 | Very high | 93.5 | Very high | 40 Ų | 40 | 27.3 Ų | 27.3 | 17% | 0.174 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.6 | -36.7 | 175.6 | -171.7 | 176.1 | -178.8 | -176.7 | 0 | 111.7 | W1091 S1092 R1098 F1099 E1272 F1273 | W1091-K1095 HydrophobicContact CB-CB 4.16Å; W1091-K1095 HydrophobicContact CB-CD 4.2Å; W1091-K1095 HydrophobicContact CB-CG 4.35Å; W1091-K1095 HydrophobicContact CD2-CD 3.9Å; W1091-K1095 HydrophobicContact CD2-CG 3.99Å; W1091-K1095 HydrophobicContact CE3-CG 4.13Å; W1091-K1095 HydrophobicContact CG-CB 4.44Å; W1091-K1095 HydrophobicContact CG-CD 3.71Å; W1091-K1095 HydrophobicContact CG-CG 4.09Å; S1092-K1095 WeakPolarHBondContact O-CA 3.12Å; S1092-K1095 PolarHBondContact O-N 3.3Å; S1092-K1095 PolarHBondContact OG-N 2.96Å; K1095-R1098 PolarHBondContact O-N 2.98Å; K1095-F1099 WeakPolarHBondContact O-CB 3.08Å; K1095-F1099 PolarHBondContact O-N 3.45Å; K1095-E1272 WeakPolarHBondContact CE-O 3.19Å; K1095-E1272 PolarHBondContact NZ-O 3.11Å; K1095-F1273 HydrophobicContact CD-CD1 4.45Å; K1095-F1273 HydrophobicContact CG-CD1 3.94Å; K1095-F1273 HydrophobicContact CG-CE1 3.72Å |
| 1096 | V | 94.5 | Very high | 93.3 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 3% | 0.03 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.3 | -51.6 | 173.8 | 172.3 | 0 | 0 | 0 | 0 | 111.9 | W1091 S1092 P1093 N1094 R1098 F1099 I1100 T1246 L1253 | W1091-V1096 HydrophobicContact CB-CG2 4.03Å; W1091-V1096 HydrophobicContact CE3-CG2 4Å; S1092-V1096 PolarHBondContact O-N 2.87Å; P1093-V1096 WeakPolarHBondContact O-CB 3.35Å; P1093-V1096 PolarHBondContact O-N 3.48Å; N1094-V1096 VanDerWaalsContact C-N 3.34Å; N1094-V1096 PolarHBondContact O-N 3.19Å; V1096-R1098 VanDerWaalsContact C-N 3.32Å; V1096-R1098 PolarHBondContact O-N 2.89Å; V1096-F1099 PolarHBondContact O-N 2.95Å; V1096-I1100 HydrophobicContact CG1-CD1 3.87Å; V1096-I1100 WeakPolarHBondContact O-CG1 3.37Å; V1096-I1100 PolarHBondContact O-N 2.89Å; V1096-T1246 HydrophobicContact CG1-CG2 4.01Å; V1096-L1253 HydrophobicContact CB-CD2 4.49Å; V1096-L1253 HydrophobicContact CG1-CD1 4.3Å; V1096-L1253 HydrophobicContact CG1-CD2 3.85Å; V1096-L1253 HydrophobicContact CG2-CD2 3.79Å |
| 1097 | I | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.4 | -30.9 | -178 | -160.8 | 73.3 | 0 | 0 | 0 | 112.3 | P1093 N1094 S1101 I1216 H1220 M1241 A1242 | P1093-I1097 PolarHBondContact O-N 3.46Å; N1094-I1097 WeakPolarHBondContact O-CG2 3.29Å; N1094-I1097 PolarHBondContact O-N 2.91Å; I1097-S1101 VanDerWaalsContact O-CB 3.26Å; I1097-S1101 WeakPolarHBondContact O-CB 3.42Å; I1097-S1101 PolarHBondContact O-N 2.86Å; I1097-S1101 PolarHBondContact O-OG 3.15Å; I1097-I1216 HydrophobicContact CD1-CG2 3.35Å; I1097-H1220 HydrophobicContact CD1-CB 4.24Å; I1097-H1220 HydrophobicContact CG1-CB 3.69Å; I1097-H1220 VanDerWaalsContact CG1-CG 3.47Å; I1097-M1241 HydrophobicContact CD1-CG 4.42Å; I1097-A1242 HydrophobicContact CB-CB 4Å |
| 1098 | R | 94.9 | Very high | 92.3 | Very high | 96 Ų | 96 | 26 Ų | 26 | 36% | 0.362 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -65.2 | -44.5 | 170.4 | -75.1 | 179 | 62.1 | -127 | -10.1 | 112.3 | N1094 K1095 V1096 S1101 E1102 E1272 F1273 | N1094-R1098 WeakPolarHBondContact O-CB 3.29Å; N1094-R1098 WeakPolarHBondContact O-CG 3.41Å; N1094-R1098 PolarHBondContact O-N 3.47Å; N1094-R1098 VanDerWaalsContact OD1-CD 3.28Å; N1094-R1098 WeakPolarHBondContact OD1-CD 3.38Å; K1095-R1098 PolarHBondContact O-N 2.98Å; V1096-R1098 VanDerWaalsContact C-N 3.32Å; V1096-R1098 PolarHBondContact O-N 2.89Å; R1098-S1101 WeakPolarHBondContact O-CB 3.42Å; R1098-S1101 PolarHBondContact O-N 2.81Å; R1098-E1102 WeakPolarHBondContact O-CB 3.49Å; R1098-E1102 PolarHBondContact O-N 2.72Å; R1098-E1272 IonicContact CZ-OE1 3.76Å; R1098-E1272 IonicContact CZ-OE2 2.65Å; R1098-E1272 IonicContact NH1-OE1 3.11Å; R1098-E1272 PolarHBondContact NH1-OE1 2.95Å; R1098-E1272 IonicContact NH1-OE2 3.91Å; R1098-E1272 PolarHBondContact NH1-OE2 3.34Å; R1098-E1272 IonicContact NH2-OE1 3.23Å; R1098-E1272 IonicContact NH2-OE2 3.56Å; R1098-E1272 PolarHBondContact NH2-OE2 3.3Å; R1098-F1273 HydrophobicContact CB-CE1 4.41Å; R1098-F1273 HydrophobicContact CB-CZ 4.18Å |
| 1099 | F | 95.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.5 | -48.1 | 175.9 | 175.6 | -116.5 | 0 | 0 | 0 | 112.5 | W1091 K1095 V1096 S1101 E1102 L1103 L1253 I1256 C1260 F1270 F1273 | W1091-F1099 HydrophobicContact CE3-CB 4.36Å; W1091-F1099 HydrophobicContact CH2-CB 4.04Å; W1091-F1099 AromaticContact CH2-CD1 3.77Å; W1091-F1099 HydrophobicContact CH2-CD1 3.77Å; W1091-F1099 AromaticContact CH2-CD2 3.89Å; W1091-F1099 HydrophobicContact CH2-CD2 3.89Å; W1091-F1099 HydrophobicContact CH2-CE1 4.13Å; W1091-F1099 HydrophobicContact CH2-CE2 4.26Å; W1091-F1099 AromaticContact CH2-CG 3.63Å; W1091-F1099 HydrophobicContact CH2-CG 3.63Å; W1091-F1099 HydrophobicContact CH2-CZ 4.37Å; W1091-F1099 HydrophobicContact CZ3-CB 3.47Å; W1091-F1099 VanDerWaalsContact CZ3-CB 3.47Å; W1091-F1099 AromaticContact CZ3-CD1 3.5Å; W1091-F1099 HydrophobicContact CZ3-CD1 3.5Å; W1091-F1099 VanDerWaalsContact CZ3-CD1 3.5Å; W1091-F1099 HydrophobicContact CZ3-CD2 4.18Å; W1091-F1099 HydrophobicContact CZ3-CE1 4.23Å; W1091-F1099 AromaticContact CZ3-CG 3.45Å; W1091-F1099 HydrophobicContact CZ3-CG 3.45Å; W1091-F1099 VanDerWaalsContact CZ3-CG 3.45Å; K1095-F1099 WeakPolarHBondContact O-CB 3.08Å; K1095-F1099 PolarHBondContact O-N 3.45Å; V1096-F1099 PolarHBondContact O-N 2.95Å; F1099-S1101 VanDerWaalsContact C-N 3.28Å; F1099-S1101 PolarHBondContact O-N 2.82Å; F1099-E1102 PolarHBondContact O-N 2.93Å; F1099-L1103 PolarHBondContact O-N 3Å; F1099-L1253 HydrophobicContact CD1-CD1 4Å; F1099-L1253 HydrophobicContact CE1-CD1 4.23Å; F1099-I1256 HydrophobicContact CD1-CD1 3.79Å; F1099-I1256 HydrophobicContact CE1-CD1 3.5Å; F1099-I1256 VanDerWaalsContact CE1-CD1 3.5Å; F1099-I1256 HydrophobicContact CE1-CG1 3.82Å; F1099-I1256 HydrophobicContact CZ-CD1 4.45Å; F1099-C1260 HydrophobicContact CE2-CB 4.11Å; F1099-C1260 HydrophobicContact CZ-CB 3.84Å; F1099-F1270 HydrophobicContact CD2-CD1 4.08Å; F1099-F1270 AromaticContact CD2-CE1 3.99Å; F1099-F1270 HydrophobicContact CD2-CE1 3.99Å; F1099-F1270 AromaticContact CE2-CD1 3.74Å; F1099-F1270 HydrophobicContact CE2-CD1 3.74Å; F1099-F1270 AromaticContact CE2-CE1 3.64Å; F1099-F1270 HydrophobicContact CE2-CE1 3.64Å; F1099-F1273 HydrophobicContact CB-CD1 3.66Å; F1099-F1273 HydrophobicContact CB-CE1 3.68Å; F1099-F1273 HydrophobicContact CB-CG 4.24Å; F1099-F1273 HydrophobicContact CB-CZ 4.27Å; F1099-F1273 HydrophobicContact CD2-CB 3.73Å; F1099-F1273 AromaticContact CD2-CD1 3.93Å; F1099-F1273 HydrophobicContact CD2-CD1 3.93Å; F1099-F1273 HydrophobicContact CD2-CD2 4.03Å; F1099-F1273 AromaticContact CD2-CG 3.63Å; F1099-F1273 HydrophobicContact CD2-CG 3.63Å; F1099-F1273 HydrophobicContact CE2-CB 4.13Å; F1099-F1273 HydrophobicContact CE2-CG 4.47Å; F1099-F1273 HydrophobicContact CG-CD1 4.16Å; F1099-F1273 HydrophobicContact CG-CG 4.33Å |
| 1100 | I | 95.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.8 | -41.9 | 176.4 | -66.3 | 162.7 | 0 | 0 | 0 | 110.6 | V1096 S1104 L1213 I1216 I1256 | V1096-I1100 HydrophobicContact CG1-CD1 3.87Å; V1096-I1100 WeakPolarHBondContact O-CG1 3.37Å; V1096-I1100 PolarHBondContact O-N 2.89Å; I1100-S1104 WeakPolarHBondContact O-CB 3.5Å; I1100-S1104 PolarHBondContact O-N 3.2Å; I1100-L1213 HydrophobicContact CG2-CD2 3.84Å; I1100-I1216 HydrophobicContact CB-CG2 4.45Å; I1100-I1216 HydrophobicContact CG2-CB 3.98Å; I1100-I1216 HydrophobicContact CG2-CD1 4.14Å; I1100-I1216 HydrophobicContact CG2-CG2 3.62Å; I1100-I1256 HydrophobicContact CG1-CD1 3.74Å |
| 1101 | S | 94.1 | Very high | 86.5 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 5% | 0.049 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | 178.1 | -63.9 | 0 | 0 | 0 | 0 | 112.5 | I1097 R1098 F1099 S1104 N1105 H1220 | I1097-S1101 VanDerWaalsContact O-CB 3.26Å; I1097-S1101 WeakPolarHBondContact O-CB 3.42Å; I1097-S1101 PolarHBondContact O-N 2.86Å; I1097-S1101 PolarHBondContact O-OG 3.15Å; R1098-S1101 WeakPolarHBondContact O-CB 3.42Å; R1098-S1101 PolarHBondContact O-N 2.81Å; F1099-S1101 VanDerWaalsContact C-N 3.28Å; F1099-S1101 PolarHBondContact O-N 2.82Å; S1101-S1104 CarbonylContact O-C 3.54Å; S1101-S1104 WeakPolarHBondContact O-CB 3.1Å; S1101-S1104 PolarHBondContact O-N 3.5Å; S1101-N1105 VanDerWaalsContact O-CG 3.24Å; S1101-N1105 PolarHBondContact O-N 3.32Å; S1101-N1105 PolarHBondContact O-ND2 3.42Å; S1101-H1220 PolarHBondContact OG-ND1 3.31Å |
| 1102 | E | 94.2 | Very high | 84.4 | Confident | 47 Ų | 47 | 42.6 Ų | 42.6 | 22% | 0.22 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -75 | -38.9 | -177.8 | -169.8 | 56.8 | -165.6 | 0 | 0 | 112.4 | R1098 F1099 S1104 N1105 V1106 N1269 | R1098-E1102 WeakPolarHBondContact O-CB 3.49Å; R1098-E1102 PolarHBondContact O-N 2.72Å; F1099-E1102 PolarHBondContact O-N 2.93Å; E1102-S1104 VanDerWaalsContact C-N 3.3Å; E1102-S1104 PolarHBondContact O-N 3.34Å; E1102-N1105 WeakPolarHBondContact O-CB 3.47Å; E1102-N1105 PolarHBondContact O-N 2.98Å; E1102-N1105 PolarHBondContact OE2-ND2 2.84Å; E1102-V1106 WeakPolarHBondContact O-CG2 3.33Å; E1102-V1106 PolarHBondContact O-N 2.89Å; E1102-N1269 HydrophobicContact CG-CB 4.38Å; E1102-N1269 PolarHBondContact OE1-ND2 3.48Å |
| 1103 | L | 93.6 | Very high | 81.7 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.3 | -44.6 | 166.3 | 174.6 | 60.6 | 0 | 0 | 0 | 111.1 | F1099 N1105 V1106 M1107 M1170 L1213 I1256 F1264 F1270 | F1099-L1103 PolarHBondContact O-N 3Å; L1103-N1105 PolarHBondContact O-N 2.98Å; L1103-V1106 PolarHBondContact O-N 2.86Å; L1103-M1107 HydrophobicContact CD1-CG 3.71Å; L1103-M1107 HydrophobicContact CD1-SD 4.37Å; L1103-M1107 HydrophobicContact CG-CG 4.39Å; L1103-M1107 VanDerWaalsContact O-CG 3.3Å; L1103-M1107 WeakPolarHBondContact O-CG 3.17Å; L1103-M1107 PolarHBondContact O-N 3.25Å; L1103-M1170 HydrophobicContact CD1-CE 3.89Å; L1103-M1170 HydrophobicContact CD1-CG 4.46Å; L1103-M1170 HydrophobicContact CD2-CE 3.9Å; L1103-L1213 HydrophobicContact CD2-CD1 4.09Å; L1103-L1213 HydrophobicContact CG-CD1 4.47Å; L1103-I1256 HydrophobicContact CD2-CB 3.73Å; L1103-I1256 HydrophobicContact CD2-CD1 3.96Å; L1103-I1256 HydrophobicContact CD2-CG1 4.46Å; L1103-I1256 HydrophobicContact CD2-CG2 3.96Å; L1103-F1264 HydrophobicContact CD1-CE2 3.95Å; L1103-F1270 HydrophobicContact CB-CE1 4.35Å; L1103-F1270 HydrophobicContact CB-CZ 4.21Å; L1103-F1270 HydrophobicContact CD1-CZ 4.31Å |
| 1104 | S | 93.2 | Very high | 79 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.3 | -19.7 | 174.9 | -179.3 | 0 | 0 | 0 | 0 | 113.5 | I1100 S1101 E1102 D1108 R1214 R1217 | I1100-S1104 WeakPolarHBondContact O-CB 3.5Å; I1100-S1104 PolarHBondContact O-N 3.2Å; S1101-S1104 CarbonylContact O-C 3.54Å; S1101-S1104 WeakPolarHBondContact O-CB 3.1Å; S1101-S1104 PolarHBondContact O-N 3.5Å; E1102-S1104 VanDerWaalsContact C-N 3.3Å; E1102-S1104 PolarHBondContact O-N 3.34Å; S1104-D1108 VanDerWaalsContact O-CB 3.3Å; S1104-D1108 WeakPolarHBondContact O-CB 3.12Å; S1104-R1214 WeakPolarHBondContact OG-CA 3.29Å; S1104-R1217 PolarHBondContact O-NH1 3.24Å; S1104-R1217 VanDerWaalsContact O-NH1 3.13Å |
| 1105 | N | 90.8 | Very high | 76.1 | Confident | 67 Ų | 67 | 53.7 Ų | 53.7 | 36% | 0.358 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -80.1 | -49.3 | 172.3 | -70 | -28.3 | 0 | 0 | 0 | 111.1 | S1101 E1102 L1103 M1107 D1108 R1217 | S1101-N1105 VanDerWaalsContact O-CG 3.24Å; S1101-N1105 PolarHBondContact O-N 3.32Å; S1101-N1105 PolarHBondContact O-ND2 3.42Å; E1102-N1105 WeakPolarHBondContact O-CB 3.47Å; E1102-N1105 PolarHBondContact O-N 2.98Å; E1102-N1105 PolarHBondContact OE2-ND2 2.84Å; L1103-N1105 PolarHBondContact O-N 2.98Å; N1105-M1107 PolarHBondContact O-N 3.28Å; N1105-D1108 PolarHBondContact O-N 2.84Å; N1105-R1217 WeakPolarHBondContact OD1-CD 3.43Å; N1105-R1217 PolarHBondContact OD1-NH1 3.25Å |
| 1106 | V | 88.7 | Confident | 73.1 | Confident | 19 Ų | 19 | 59 Ų | 59 | 12% | 0.115 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.1 | -31 | 179.5 | 171.6 | 0 | 0 | 0 | 0 | 111.7 | E1102 L1103 Q1167 F1264 N1269 F1270 | E1102-V1106 WeakPolarHBondContact O-CG2 3.33Å; E1102-V1106 PolarHBondContact O-N 2.89Å; L1103-V1106 PolarHBondContact O-N 2.86Å; V1106-Q1167 HydrophobicContact CG1-CG 4.16Å; V1106-Q1167 PolarHBondContact O-NE2 2.95Å; V1106-F1264 HydrophobicContact CG1-CE1 4.2Å; V1106-F1264 HydrophobicContact CG1-CE2 4.27Å; V1106-F1264 HydrophobicContact CG1-CZ 3.87Å; V1106-N1269 HydrophobicContact CG2-CB 4.48Å; V1106-F1270 HydrophobicContact CB-CE2 4.42Å; V1106-F1270 HydrophobicContact CG1-CE2 4.38Å; V1106-F1270 HydrophobicContact CG2-CE2 3.91Å; V1106-F1270 HydrophobicContact CG2-CZ 4.23Å |
| 1107 | M | 87.1 | Confident | 69.9 | Low | 9 Ų | 9 | 64 Ų | 64 | 4% | 0.044 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 1.2 | 178.8 | -56 | -60 | -64.7 | 0 | 0 | 115 | L1103 N1105 Q1167 M1170 L1171 L1174 L1210 F1264 | L1103-M1107 HydrophobicContact CD1-CG 3.71Å; L1103-M1107 HydrophobicContact CD1-SD 4.37Å; L1103-M1107 HydrophobicContact CG-CG 4.39Å; L1103-M1107 VanDerWaalsContact O-CG 3.3Å; L1103-M1107 WeakPolarHBondContact O-CG 3.17Å; L1103-M1107 PolarHBondContact O-N 3.25Å; N1105-M1107 PolarHBondContact O-N 3.28Å; M1107-Q1167 WeakPolarHBondContact CE-O 3.48Å; M1107-M1170 HydrophobicContact CE-CB 4.2Å; M1107-M1170 HydrophobicContact CE-CG 4.1Å; M1107-M1170 HydrophobicContact SD-CB 4.16Å; M1107-M1170 HydrophobicContact SD-CG 3.84Å; M1107-L1171 HydrophobicContact CE-CB 3.73Å; M1107-L1171 HydrophobicContact CE-CD1 4.24Å; M1107-L1174 HydrophobicContact CE-CD1 4.21Å; M1107-L1210 HydrophobicContact CB-CD1 3.62Å; M1107-L1210 HydrophobicContact CG-CD1 4.42Å; M1107-F1264 HydrophobicContact SD-CZ 4.19Å |
| 1108 | D | 77.3 | Confident | 66.6 | Low | 46 Ų | 46 | 67.9 Ų | 67.9 | 25% | 0.246 | 36% | 0.36 | C | S | . | . | trans | -100.6 | 26.8 | -176.4 | -161.5 | 7.6 | 0 | 0 | 0 | 113.5 | S1104 N1105 R1214 R1217 | S1104-D1108 VanDerWaalsContact O-CB 3.3Å; S1104-D1108 WeakPolarHBondContact O-CB 3.12Å; N1105-D1108 PolarHBondContact O-N 2.84Å; D1108-R1214 IonicContact OD1-CZ 2.66Å; D1108-R1214 IonicContact OD1-NE 3.52Å; D1108-R1214 IonicContact OD1-NH1 2.71Å; D1108-R1214 PolarHBondContact OD1-NH1 2.91Å; D1108-R1214 IonicContact OD1-NH2 2.81Å; D1108-R1214 PolarHBondContact OD1-NH2 2.84Å; D1108-R1214 IonicContact OD2-CZ 2.77Å; D1108-R1214 IonicContact OD2-NE 3.15Å; D1108-R1214 PolarHBondContact OD2-NE 2.84Å; D1108-R1214 IonicContact OD2-NH1 3.98Å; D1108-R1214 IonicContact OD2-NH2 3.14Å; D1108-R1214 PolarHBondContact OD2-NH2 2.99Å; D1108-R1217 IonicContact OD2-CZ 2.81Å; D1108-R1217 IonicContact OD2-NH1 2.74Å; D1108-R1217 PolarHBondContact OD2-NH1 2.89Å; D1108-R1217 IonicContact OD2-NH2 2.69Å; D1108-R1217 PolarHBondContact OD2-NH2 2.82Å | ||
| 1109 | I | 64 | Low | 63.4 | Low | 69 Ų | 69 | 72.2 Ų | 72.2 | 35% | 0.354 | 38% | 0.384 | S | S | . | . | trans | -81.6 | 128 | 175.5 | -54.6 | -177.8 | 0 | 0 | 0 | 108.8 | D1111 L1112 | I1109-D1111 HydrophobicContact CG2-CB 4.29Å; I1109-D1111 WeakPolarHBondContact CG2-OD2 3.23Å; I1109-D1111 PolarHBondContact O-N 2.99Å; I1109-D1111 VanDerWaalsContact O-N 3.15Å; I1109-L1112 HydrophobicContact CB-CD1 4Å; I1109-L1112 PolarHBondContact O-N 3.22Å | ||
| 1110 | K | 50 | Low | 60 | Low | 175 Ų | 175 | 80.6 Ų | 80.6 | 76% | 0.761 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -61 | -26.2 | -174.8 | -68.8 | 179.6 | 178.3 | 176.6 | 0 | 113.6 | L1112 S1113 | K1110-L1112 PolarHBondContact O-N 3.19Å; K1110-S1113 WeakPolarHBondContact O-CB 3.16Å; K1110-S1113 PolarHBondContact O-N 3.04Å; K1110-S1113 VanDerWaalsContact O-N 3.12Å; K1110-S1113 PolarHBondContact O-OG 2.97Å |
| 1111 | D | 44.5 | Very low | 56.6 | Low | 127 Ų | 127 | 85.8 Ų | 85.8 | 68% | 0.679 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -73.9 | -13.6 | -169.4 | -48.9 | -43.5 | 0 | 0 | 0 | 112.9 | I1109 S1113 | I1109-D1111 HydrophobicContact CG2-CB 4.29Å; I1109-D1111 WeakPolarHBondContact CG2-OD2 3.23Å; I1109-D1111 PolarHBondContact O-N 2.99Å; I1109-D1111 VanDerWaalsContact O-N 3.15Å; D1111-S1113 PolarHBondContact O-N 2.8Å |
| 1112 | L | 49.7 | Very low | 53.2 | Low | 40 Ų | 40 | 92.2 Ų | 92.2 | 21% | 0.209 | 50% | 0.503 | C | S | . | . | G | 310 helix | trans | -70.5 | -5.9 | 169.3 | -73.5 | 93.9 | 0 | 0 | 0 | 113.5 | I1109 K1110 L1171 | I1109-L1112 HydrophobicContact CB-CD1 4Å; I1109-L1112 PolarHBondContact O-N 3.22Å; K1110-L1112 PolarHBondContact O-N 3.19Å; L1112-L1171 HydrophobicContact CD2-CB 4.41Å; L1112-L1171 HydrophobicContact CD2-CD2 3.83Å |
| 1113 | S | 36.6 | Very low | 50 | Low | 96 Ų | 96 | 94.7 Ų | 94.7 | 67% | 0.671 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -92.9 | 14.6 | -176.5 | 82.3 | 0 | 0 | 0 | 0 | 115.3 | K1110 D1111 | K1110-S1113 WeakPolarHBondContact O-CB 3.16Å; K1110-S1113 PolarHBondContact O-N 3.04Å; K1110-S1113 VanDerWaalsContact O-N 3.12Å; K1110-S1113 PolarHBondContact O-OG 2.97Å; D1111-S1113 PolarHBondContact O-N 2.8Å |
| 1114 | F | 34.3 | Very low | 46.7 | Very low | 167 Ų | 167 | 100.6 Ų | 100.6 | 73% | 0.732 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -113.8 | -16.1 | -171.3 | -126.1 | -89.2 | 0 | 0 | 0 | 116.7 | ||
| 1115 | D | 31.1 | Very low | 43.4 | Very low | 115 Ų | 115 | 107.1 Ų | 107.1 | 62% | 0.615 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -119.3 | 42 | -173.3 | -70.4 | -54.3 | 0 | 0 | 0 | 114.3 | ||
| 1116 | I | 32 | Very low | 40.4 | Very low | 150 Ų | 150 | 112.6 Ų | 112.6 | 77% | 0.769 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -105 | -4.2 | 173 | -67.1 | 176.1 | 0 | 0 | 0 | 112 | ||
| 1117 | S | 26.1 | Very low | 37.2 | Very low | 111 Ų | 111 | 117 Ų | 117 | 78% | 0.776 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -115.3 | 24.3 | -173.6 | 59.8 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1118 | S | 26 | Very low | 34.5 | Very low | 82 Ų | 82 | 123.7 Ų | 123.7 | 57% | 0.573 | 70% | 0.698 | S | S | * | * | trans | -162.3 | 57.8 | 175.9 | 53.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1119 | Q | 28 | Very low | 32 | Very low | 186 Ų | 186 | 128 Ų | 128 | 87% | 0.869 | 72% | 0.721 | S | S | * | * | trans | -133.4 | 62.9 | 164.5 | -73.6 | -160.5 | -9.3 | 0 | 0 | 113.8 | ||||
| 1120 | N | 23.1 | Very low | 30.2 | Very low | 176 Ų | 176 | 130.5 Ų | 130.5 | 94% | 0.941 | 74% | 0.74 | S | S | * | * | trans | -97.4 | 69.4 | 149.3 | -102.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 1121 | C | 24.6 | Very low | 29.2 | Very low | 109 Ų | 109 | 126.8 Ų | 126.8 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | trans | -133.9 | 120.9 | 177.6 | -64.8 | 0 | 0 | 0 | 0 | 109.9 | A1123 | C1121-A1123 PolarHBondContact O-N 2.79Š| ||
| 1122 | T | 23.3 | Very low | 28.2 | Very low | 143 Ų | 143 | 128 Ų | 128 | 88% | 0.877 | 75% | 0.748 | S | S | * | * | trans | -68.2 | 114.2 | 175.9 | 47.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1123 | A | 25.6 | Very low | 27.2 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -90.4 | 111.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | C1121 | C1121-A1123 PolarHBondContact O-N 2.79Š| ||
| 1124 | T | 24.1 | Very low | 26.7 | Very low | 123 Ų | 123 | 140 Ų | 140 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -75.7 | 151.8 | 172.3 | 42.2 | 0 | 0 | 0 | 0 | 111.2 | H1126 | T1124-H1126 PolarHBondContact O-N 3.27Š| ||
| 1125 | N | 23.9 | Very low | 26.2 | Very low | 141 Ų | 141 | 137.7 Ų | 137.7 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -59.6 | 127.7 | 177.1 | -65 | -20.9 | 0 | 0 | 0 | 111.2 | ||||
| 1126 | H | 27.9 | Very low | 25.9 | Very low | 182 Ų | 182 | 137.9 Ų | 137.9 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -132.4 | 117.2 | 151.6 | -101.5 | -65.8 | 0 | 0 | 0 | 109.2 | T1124 | T1124-H1126 PolarHBondContact O-N 3.27Š| ||
| 1127 | S | 22.9 | Very low | 25.7 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -81.1 | 138.8 | 176.3 | 40.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1128 | V | 28.5 | Very low | 25.9 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | -139.4 | 122.7 | 154.1 | -180 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1129 | D | 26.2 | Very low | 26 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -119.1 | 141.1 | -170.3 | -148.5 | -6.6 | 0 | 0 | 0 | 112.1 | ||||
| 1130 | T | 26.6 | Very low | 26 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | 62.1 | 145.1 | 164.6 | 66.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1131 | A | 27.5 | Very low | 26.7 | Very low | 96 Ų | 96 | 135.9 Ų | 135.9 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | trans | 100.1 | 112.6 | 137.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1132 | D | 25.2 | Very low | 27 | Very low | 153 Ų | 153 | 136.9 Ų | 136.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -69 | 146.4 | 156.9 | -64.8 | -75.6 | 0 | 0 | 0 | 112.2 | ||||
| 1133 | R | 27.3 | Very low | 27.7 | Very low | 232 Ų | 232 | 137.4 Ų | 137.4 | 88% | 0.875 | 77% | 0.768 | S | S | * | * | 177.4 | 129.4 | 109.8 | -94.8 | 159.2 | -175.8 | 176.6 | 2 | 114.3 | |||||
| 1134 | N | 25.6 | Very low | 28 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | trans | 41.7 | 141.5 | 143 | -64.1 | -3.4 | 0 | 0 | 0 | 123.1 | ||||
| 1135 | C | 25.1 | Very low | 28.3 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -54.8 | 162.2 | 170.9 | -42.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1136 | T | 25.4 | Very low | 28.5 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | cis | -160.6 | 162.6 | 47.9 | 42.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1137 | Q | 26.9 | Very low | 28.4 | Very low | 166 Ų | 166 | 134.1 Ų | 134.1 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | 43.3 | 135.7 | 146.8 | -77.7 | -178.9 | -108.1 | 0 | 0 | 120.2 | ||||
| 1138 | D | 29.4 | Very low | 28.6 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 59% | 0.588 | 76% | 0.761 | S | S | * | * | cis | -165 | 160.2 | 44.7 | -118.5 | -9.9 | 0 | 0 | 0 | 113.5 | ||||
| 1139 | N | 29.5 | Very low | 28.4 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 61% | 0.61 | 76% | 0.755 | S | S | * | * | trans | 45 | 124.1 | 147.6 | -56.5 | -44.2 | 0 | 0 | 0 | 123 | ||||
| 1140 | N | 28.5 | Very low | 28.5 | Very low | 137 Ų | 137 | 132 Ų | 132 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | 51.9 | 139.7 | 128.2 | -51.9 | -5.7 | 0 | 0 | 0 | 120 | |||||
| 1141 | D | 35.9 | Very low | 28.7 | Very low | 136 Ų | 136 | 131.9 Ų | 131.9 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | cis | -150.6 | -176.1 | 38 | -130.4 | -53.8 | 0 | 0 | 0 | 114.3 | ||||
| 1142 | N | 31.6 | Very low | 28.9 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | trans | -66.2 | 146.6 | -174.2 | -61.1 | -91.4 | 0 | 0 | 0 | 114.2 | ||||
| 1143 | D | 38.1 | Very low | 29.4 | Very low | 153 Ų | 153 | 130.9 Ų | 130.9 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | -163.8 | 166.9 | 97 | -129 | -32.8 | 0 | 0 | 0 | 115.3 | |||||
| 1144 | N | 31.1 | Very low | 29.7 | Very low | 125 Ų | 125 | 122.1 Ų | 122.1 | 67% | 0.668 | 72% | 0.715 | S | S | * | * | trans | -92.6 | 133.9 | -168.6 | -66.6 | -94.7 | 0 | 0 | 0 | 113.8 | ||||
| 1145 | N | 30.7 | Very low | 30.4 | Very low | 170 Ų | 170 | 124.1 Ų | 124.1 | 91% | 0.909 | 71% | 0.713 | S | S | * | * | 176.6 | 145.3 | 118.4 | -96.3 | -55.8 | 0 | 0 | 0 | 113.6 | |||||
| 1146 | G | 28 | Very low | 31 | Very low | 64 Ų | 64 | 125.8 Ų | 125.8 | 66% | 0.66 | 71% | 0.709 | S | S | * | * | trans | 97.4 | 100.3 | 147.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1147 | S | 26.5 | Very low | 31.5 | Very low | 118 Ų | 118 | 122 Ų | 122 | 83% | 0.825 | 69% | 0.687 | S | S | * | * | trans | 79.1 | 153.8 | 153.9 | 82 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1148 | S | 27.4 | Very low | 32.4 | Very low | 104 Ų | 104 | 117.8 Ų | 117.8 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | trans | 43.6 | 95.4 | 175.8 | 51.6 | 0 | 0 | 0 | 0 | 117.5 | P1150 | S1148-P1150 VanDerWaalsContact O-CD 3.28Å; S1148-P1150 WeakPolarHBondContact O-CD 2.91Å | ||
| 1149 | T | 25.1 | Very low | 33.1 | Very low | 128 Ų | 128 | 120.5 Ų | 120.5 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | trans | -59.9 | 119.8 | 155.4 | 48.3 | 0 | 0 | 0 | 0 | 110 | T1151 | T1149-T1151 PolarHBondContact O-N 2.94Å; T1149-T1151 VanDerWaalsContact O-N 3.08Å | ||
| 1150 | P | 27.9 | Very low | 34.2 | Very low | 118 Ų | 118 | 121.1 Ų | 121.1 | 77% | 0.766 | 67% | 0.674 | S | S | * | * | trans | -70.1 | 105.8 | 164 | 29.1 | -31 | 0 | 0 | 0 | 107.5 | S1148 T1152 | S1148-P1150 VanDerWaalsContact O-CD 3.28Å; S1148-P1150 WeakPolarHBondContact O-CD 2.91Å; P1150-T1152 PolarHBondContact O-N 3.44Å; P1150-T1152 VanDerWaalsContact O-N 3.09Å | ||
| 1151 | T | 30.9 | Very low | 35.1 | Very low | 121 Ų | 121 | 120 Ų | 120 | 74% | 0.742 | 67% | 0.667 | S | S | * | * | trans | -50.1 | 120.8 | 175.9 | -58.3 | 0 | 0 | 0 | 0 | 109 | T1149 M1153 | T1149-T1151 PolarHBondContact O-N 2.94Å; T1149-T1151 VanDerWaalsContact O-N 3.08Å; T1151-M1153 VanDerWaalsContact C-N 3.25Å; T1151-M1153 PolarHBondContact O-N 3.46Å | ||
| 1152 | T | 31.3 | Very low | 36.2 | Very low | 136 Ų | 136 | 116.3 Ų | 116.3 | 83% | 0.834 | 65% | 0.652 | S | S | * | * | trans | -65.6 | 88.3 | 179.9 | -45.5 | 0 | 0 | 0 | 0 | 109.7 | P1150 S1154 | P1150-T1152 PolarHBondContact O-N 3.44Å; P1150-T1152 VanDerWaalsContact O-N 3.09Å; T1152-S1154 PolarHBondContact O-N 3.44Å | ||
| 1153 | M | 34.6 | Very low | 37.7 | Very low | 93 Ų | 93 | 113.9 Ų | 113.9 | 46% | 0.458 | 64% | 0.639 | S | S | . | * | trans | -54.1 | 109.6 | 175.3 | -95.3 | -73.7 | -74.9 | 0 | 0 | 108.5 | T1151 S1157 V1158 L1161 | T1151-M1153 VanDerWaalsContact C-N 3.25Å; T1151-M1153 PolarHBondContact O-N 3.46Å; M1153-S1157 VanDerWaalsContact SD-CB 3.55Å; M1153-V1158 HydrophobicContact CB-CG2 4.08Å; M1153-V1158 HydrophobicContact CE-CG2 3.95Å; M1153-L1161 HydrophobicContact CE-CD1 3.58Å | ||
| 1154 | S | 34.9 | Very low | 39.4 | Very low | 48 Ų | 48 | 110.2 Ų | 110.2 | 34% | 0.336 | 62% | 0.62 | S | S | . | * | trans | -60.1 | 151 | -176.5 | 80.3 | 0 | 0 | 0 | 0 | 110.1 | T1152 Q1156 S1157 V1158 | T1152-S1154 PolarHBondContact O-N 3.44Å; S1154-Q1156 PolarHBondContact O-N 3.32Å; S1154-Q1156 PolarHBondContact OG-N 2.95Å; S1154-S1157 WeakPolarHBondContact O-CA 3.49Å; S1154-S1157 WeakPolarHBondContact O-CB 3.39Å; S1154-S1157 PolarHBondContact O-N 3.02Å; S1154-S1157 PolarHBondContact OG-N 3.49Å; S1154-S1157 PolarHBondContact OG-OG 3.41Å; S1154-V1158 PolarHBondContact O-N 3.23Å; S1154-V1158 VanDerWaalsContact O-N 3.08Å | ||
| 1155 | Y | 39.4 | Very low | 41.8 | Very low | 199 Ų | 199 | 110.4 Ų | 110.4 | 78% | 0.78 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -56.8 | -21.7 | 175.9 | -118.3 | -83.2 | 0 | 0 | 0 | 112.9 | R1159 | Y1155-R1159 WeakPolarHBondContact O-CG 3.45Å; Y1155-R1159 PolarHBondContact O-N 3.06Å |
| 1156 | Q | 38.3 | Very low | 44.2 | Very low | 151 Ų | 151 | 105 Ų | 105 | 71% | 0.706 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -76.1 | -43 | 171.5 | -65.8 | 177.5 | -41.8 | 0 | 0 | 111.9 | S1154 R1159 Q1160 | S1154-Q1156 PolarHBondContact O-N 3.32Å; S1154-Q1156 PolarHBondContact OG-N 2.95Å; Q1156-R1159 PolarHBondContact O-N 3.19Å; Q1156-Q1160 PolarHBondContact O-N 3.26Å |
| 1157 | S | 36.7 | Very low | 47 | Very low | 39 Ų | 39 | 102.7 Ų | 102.7 | 27% | 0.273 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.8 | -42.6 | 178.5 | -51.3 | 0 | 0 | 0 | 0 | 112.2 | M1153 S1154 Q1160 L1161 | M1153-S1157 VanDerWaalsContact SD-CB 3.55Å; S1154-S1157 WeakPolarHBondContact O-CA 3.49Å; S1154-S1157 WeakPolarHBondContact O-CB 3.39Å; S1154-S1157 PolarHBondContact O-N 3.02Å; S1154-S1157 PolarHBondContact OG-N 3.49Å; S1154-S1157 PolarHBondContact OG-OG 3.41Å; S1157-Q1160 PolarHBondContact O-N 3.38Å; S1157-L1161 PolarHBondContact O-N 2.99Å; S1157-L1161 VanDerWaalsContact O-N 3.15Å |
| 1158 | V | 43.9 | Very low | 49.7 | Very low | 79 Ų | 79 | 101.4 Ų | 101.4 | 48% | 0.479 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 174.7 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | M1153 S1154 Q1160 L1161 S1162 | M1153-V1158 HydrophobicContact CB-CG2 4.08Å; M1153-V1158 HydrophobicContact CE-CG2 3.95Å; S1154-V1158 PolarHBondContact O-N 3.23Å; S1154-V1158 VanDerWaalsContact O-N 3.08Å; V1158-Q1160 PolarHBondContact O-N 3.09Å; V1158-L1161 PolarHBondContact O-N 3.4Å; V1158-S1162 PolarHBondContact O-N 2.93Å; V1158-S1162 VanDerWaalsContact O-N 3.07Å |
| 1159 | R | 45.6 | Very low | 52.5 | Low | 166 Ų | 166 | 99.3 Ų | 99.3 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.3 | -37.4 | 176.1 | -80.2 | -177.7 | 173.2 | -165.6 | -0.3 | 113 | Y1155 Q1156 N1163 | Y1155-R1159 WeakPolarHBondContact O-CG 3.45Å; Y1155-R1159 PolarHBondContact O-N 3.06Å; Q1156-R1159 PolarHBondContact O-N 3.19Å; R1159-N1163 WeakPolarHBondContact O-CB 3.24Å; R1159-N1163 VanDerWaalsContact O-CG 3.28Å; R1159-N1163 PolarHBondContact O-N 2.87Å |
| 1160 | Q | 52.9 | Low | 55.6 | Low | 127 Ų | 127 | 93.2 Ų | 93.2 | 59% | 0.593 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.8 | -44.8 | 176 | -77.6 | -175.3 | -66.9 | 0 | 0 | 111.9 | Q1156 S1157 V1158 S1162 N1163 N1164 | Q1156-Q1160 PolarHBondContact O-N 3.26Å; S1157-Q1160 PolarHBondContact O-N 3.38Å; V1158-Q1160 PolarHBondContact O-N 3.09Å; Q1160-S1162 PolarHBondContact O-N 2.63Å; Q1160-N1163 PolarHBondContact O-N 3.33Å; Q1160-N1164 WeakPolarHBondContact O-CB 3.44Å; Q1160-N1164 VanDerWaalsContact O-CG 3.25Å; Q1160-N1164 PolarHBondContact O-N 3.13Å; Q1160-N1164 PolarHBondContact O-OD1 3.29Å |
| 1161 | L | 47.4 | Very low | 58.4 | Low | 113 Ų | 113 | 88.9 Ų | 88.9 | 59% | 0.592 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.7 | -42.6 | 176.4 | -83 | 161.7 | 0 | 0 | 0 | 112.6 | M1153 S1157 V1158 N1164 Y1165 | M1153-L1161 HydrophobicContact CE-CD1 3.58Å; S1157-L1161 PolarHBondContact O-N 2.99Å; S1157-L1161 VanDerWaalsContact O-N 3.15Å; V1158-L1161 PolarHBondContact O-N 3.4Å; L1161-N1164 PolarHBondContact O-N 3.09Å; L1161-Y1165 PolarHBondContact O-N 3.39Å |
| 1162 | S | 57.6 | Low | 61.1 | Low | 59 Ų | 59 | 87.2 Ų | 87.2 | 41% | 0.413 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 175.3 | 174.5 | 0 | 0 | 0 | 0 | 112.6 | V1158 Q1160 Y1165 H1166 | V1158-S1162 PolarHBondContact O-N 2.93Å; V1158-S1162 VanDerWaalsContact O-N 3.07Å; Q1160-S1162 PolarHBondContact O-N 2.63Å; S1162-Y1165 PolarHBondContact O-N 2.89Å; S1162-H1166 PolarHBondContact O-CD2 2.84Å; S1162-H1166 PolarHBondContact O-N 2.86Å; S1162-H1166 VanDerWaalsContact O-N 3.15Å |
| 1163 | N | 64.3 | Low | 63.7 | Low | 80 Ų | 80 | 81 Ų | 81 | 43% | 0.428 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 175.6 | -76.4 | -3.5 | 0 | 0 | 0 | 111.9 | R1159 Q1160 Y1165 H1166 Q1167 | R1159-N1163 WeakPolarHBondContact O-CB 3.24Å; R1159-N1163 VanDerWaalsContact O-CG 3.28Å; R1159-N1163 PolarHBondContact O-N 2.87Å; Q1160-N1163 PolarHBondContact O-N 3.33Å; N1163-Y1165 VanDerWaalsContact C-N 3.34Å; N1163-Y1165 PolarHBondContact O-N 3.38Å; N1163-H1166 PolarHBondContact O-N 3.36Å; N1163-Q1167 WeakPolarHBondContact O-CG 3.24Å; N1163-Q1167 PolarHBondContact O-N 2.98Å |
| 1164 | N | 72.9 | Confident | 66.2 | Low | 77 Ų | 77 | 76.8 Ų | 76.8 | 41% | 0.412 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 178.6 | -73.1 | 11.2 | 0 | 0 | 0 | 111.7 | Q1160 L1161 Q1167 Q1168 | Q1160-N1164 WeakPolarHBondContact O-CB 3.44Å; Q1160-N1164 VanDerWaalsContact O-CG 3.25Å; Q1160-N1164 PolarHBondContact O-N 3.13Å; Q1160-N1164 PolarHBondContact O-OD1 3.29Å; L1161-N1164 PolarHBondContact O-N 3.09Å; N1164-Q1167 PolarHBondContact O-N 2.64Å; N1164-Q1168 WeakPolarHBondContact O-CG 3.44Å; N1164-Q1168 PolarHBondContact O-N 2.78Å |
| 1165 | Y | 81.1 | Confident | 68.7 | Low | 129 Ų | 129 | 79.5 Ų | 79.5 | 51% | 0.506 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.5 | -49 | 174.6 | 177.1 | -94.5 | 0 | 0 | 0 | 111.7 | L1161 S1162 N1163 Q1167 Q1168 Q1169 | L1161-Y1165 PolarHBondContact O-N 3.39Å; S1162-Y1165 PolarHBondContact O-N 2.89Å; N1163-Y1165 VanDerWaalsContact C-N 3.34Å; N1163-Y1165 PolarHBondContact O-N 3.38Å; Y1165-Q1167 VanDerWaalsContact C-N 3.31Å; Y1165-Q1167 PolarHBondContact O-N 3.12Å; Y1165-Q1168 PolarHBondContact O-N 3.33Å; Y1165-Q1169 HydrophobicContact CD1-CG 4.26Å; Y1165-Q1169 HydrophobicContact CE1-CG 3.84Å; Y1165-Q1169 HydrophobicContact CE2-CG 4.26Å; Y1165-Q1169 WeakPolarHBondContact O-CG 3.34Å; Y1165-Q1169 PolarHBondContact O-N 3.11Å; Y1165-Q1169 PolarHBondContact OH-NE2 3.01Å |
| 1166 | H | 82.6 | Confident | 70.9 | Confident | 57 Ų | 57 | 77.4 Ų | 77.4 | 26% | 0.264 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.8 | -34.6 | 177.2 | -73.4 | -59.3 | 0 | 0 | 0 | 112.8 | S1162 N1163 M1170 H1263 F1264 | S1162-H1166 PolarHBondContact O-CD2 2.84Å; S1162-H1166 PolarHBondContact O-N 2.86Å; S1162-H1166 VanDerWaalsContact O-N 3.15Å; N1163-H1166 PolarHBondContact O-N 3.36Å; H1166-M1170 VanDerWaalsContact O-CB 3.27Å; H1166-M1170 WeakPolarHBondContact O-CB 3.44Å; H1166-M1170 PolarHBondContact O-N 3.44Å; H1166-H1263 HydrophobicContact CB-CB 4.35Å; H1166-H1263 WeakPolarHBondContact CB-O 3.5Å; H1166-F1264 HydrophobicContact CB-CD1 4.44Å; H1166-F1264 HydrophobicContact CB-CE1 4.17Å |
| 1167 | Q | 85 | Confident | 73.1 | Confident | 15 Ų | 15 | 70.7 Ų | 70.7 | 7% | 0.07 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66 | -41.3 | 171.8 | -74.7 | 170.7 | -32.8 | 0 | 0 | 112.7 | V1106 M1107 N1163 N1164 Y1165 M1170 L1171 F1264 | V1106-Q1167 HydrophobicContact CG1-CG 4.16Å; V1106-Q1167 PolarHBondContact O-NE2 2.95Å; M1107-Q1167 WeakPolarHBondContact CE-O 3.48Å; N1163-Q1167 WeakPolarHBondContact O-CG 3.24Å; N1163-Q1167 PolarHBondContact O-N 2.98Å; N1164-Q1167 PolarHBondContact O-N 2.64Å; Y1165-Q1167 VanDerWaalsContact C-N 3.31Å; Y1165-Q1167 PolarHBondContact O-N 3.12Å; Q1167-M1170 PolarHBondContact O-N 3.27Å; Q1167-L1171 WeakPolarHBondContact O-CB 3.34Å; Q1167-L1171 PolarHBondContact O-N 2.83Å; Q1167-F1264 HydrophobicContact CG-CE1 4.02Å; Q1167-F1264 HydrophobicContact CG-CZ 4.11Å |
| 1168 | Q | 84 | Confident | 75.5 | Confident | 91 Ų | 91 | 69.4 Ų | 69.4 | 43% | 0.425 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 175.3 | -77.1 | -179.8 | -21.5 | 0 | 0 | 111.8 | N1164 Y1165 L1171 N1172 | N1164-Q1168 WeakPolarHBondContact O-CG 3.44Å; N1164-Q1168 PolarHBondContact O-N 2.78Å; Y1165-Q1168 PolarHBondContact O-N 3.33Å; Q1168-L1171 WeakPolarHBondContact O-CB 3.49Å; Q1168-L1171 PolarHBondContact O-N 3.07Å; Q1168-N1172 VanDerWaalsContact O-CG 3.26Å; Q1168-N1172 PolarHBondContact O-N 3.46Å; Q1168-N1172 PolarHBondContact O-ND2 3.35Å |
| 1169 | Q | 85.9 | Confident | 77.4 | Confident | 59 Ų | 59 | 70.8 Ų | 70.8 | 28% | 0.276 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 176.4 | -61 | -59.5 | -12.9 | 0 | 0 | 112.2 | Y1165 L1171 N1172 D1173 H1263 | Y1165-Q1169 HydrophobicContact CD1-CG 4.26Å; Y1165-Q1169 HydrophobicContact CE1-CG 3.84Å; Y1165-Q1169 HydrophobicContact CE2-CG 4.26Å; Y1165-Q1169 WeakPolarHBondContact O-CG 3.34Å; Y1165-Q1169 PolarHBondContact O-N 3.11Å; Y1165-Q1169 PolarHBondContact OH-NE2 3.01Å; Q1169-L1171 VanDerWaalsContact C-N 3.31Å; Q1169-L1171 PolarHBondContact O-N 3.49Å; Q1169-N1172 PolarHBondContact O-N 3.05Å; Q1169-D1173 PolarHBondContact O-N 2.8Å; Q1169-H1263 WeakPolarHBondContact CB-CE1 3.44Å |
| 1170 | M | 89.9 | Confident | 79.1 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.4 | -41.5 | 171.1 | -175.2 | 81.1 | -161.2 | 0 | 0 | 111.8 | L1103 M1107 H1166 Q1167 D1173 L1174 L1259 H1263 F1264 | L1103-M1170 HydrophobicContact CD1-CE 3.89Å; L1103-M1170 HydrophobicContact CD1-CG 4.46Å; L1103-M1170 HydrophobicContact CD2-CE 3.9Å; M1107-M1170 HydrophobicContact CE-CB 4.2Å; M1107-M1170 HydrophobicContact CE-CG 4.1Å; M1107-M1170 HydrophobicContact SD-CB 4.16Å; M1107-M1170 HydrophobicContact SD-CG 3.84Å; H1166-M1170 VanDerWaalsContact O-CB 3.27Å; H1166-M1170 WeakPolarHBondContact O-CB 3.44Å; H1166-M1170 PolarHBondContact O-N 3.44Å; Q1167-M1170 PolarHBondContact O-N 3.27Å; M1170-D1173 PolarHBondContact O-N 2.97Å; M1170-L1174 HydrophobicContact CE-CD1 3.94Å; M1170-L1174 HydrophobicContact CE-CD2 4Å; M1170-L1174 HydrophobicContact CE-CG 3.95Å; M1170-L1174 HydrophobicContact CG-CD1 4.04Å; M1170-L1174 HydrophobicContact CG-CG 4.5Å; M1170-L1174 WeakPolarHBondContact O-CB 3.31Å; M1170-L1174 VanDerWaalsContact O-CG 3.23Å; M1170-L1174 WeakPolarHBondContact O-CG 3.3Å; M1170-L1174 PolarHBondContact O-N 2.94Å; M1170-L1259 HydrophobicContact CE-CB 3.45Å; M1170-L1259 VanDerWaalsContact CE-CB 3.45Å; M1170-L1259 HydrophobicContact CE-CD1 4.18Å; M1170-L1259 HydrophobicContact CE-CG 4.49Å; M1170-L1259 HydrophobicContact SD-CB 3.63Å; M1170-H1263 HydrophobicContact CB-CB 4.48Å; M1170-H1263 HydrophobicContact SD-CB 4.48Å; M1170-F1264 HydrophobicContact CB-CE2 4.11Å; M1170-F1264 HydrophobicContact CB-CZ 3.88Å; M1170-F1264 HydrophobicContact CG-CE2 3.68Å; M1170-F1264 HydrophobicContact CG-CZ 3.94Å; M1170-F1264 HydrophobicContact SD-CD2 4.33Å; M1170-F1264 HydrophobicContact SD-CE2 3.76Å; M1170-F1264 HydrophobicContact SD-CZ 4.48Å |
| 1171 | L | 87.8 | Confident | 80.7 | Confident | 27 Ų | 27 | 61.8 Ų | 61.8 | 14% | 0.141 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 177.6 | -176.8 | 61.2 | 0 | 0 | 0 | 111.6 | M1107 L1112 Q1167 Q1168 Q1169 D1173 L1174 I1175 L1210 | M1107-L1171 HydrophobicContact CE-CB 3.73Å; M1107-L1171 HydrophobicContact CE-CD1 4.24Å; L1112-L1171 HydrophobicContact CD2-CB 4.41Å; L1112-L1171 HydrophobicContact CD2-CD2 3.83Å; Q1167-L1171 WeakPolarHBondContact O-CB 3.34Å; Q1167-L1171 PolarHBondContact O-N 2.83Å; Q1168-L1171 WeakPolarHBondContact O-CB 3.49Å; Q1168-L1171 PolarHBondContact O-N 3.07Å; Q1169-L1171 VanDerWaalsContact C-N 3.31Å; Q1169-L1171 PolarHBondContact O-N 3.49Å; L1171-D1173 VanDerWaalsContact C-N 3.32Å; L1171-D1173 PolarHBondContact O-N 2.95Å; L1171-L1174 PolarHBondContact O-N 2.52Å; L1171-I1175 HydrophobicContact CD1-CD1 4.19Å; L1171-I1175 HydrophobicContact CD1-CG1 4.47Å; L1171-I1175 HydrophobicContact CG-CD1 3.99Å; L1171-I1175 WeakPolarHBondContact O-CG1 3.42Å; L1171-I1175 PolarHBondContact O-N 3.41Å; L1171-L1210 HydrophobicContact CD1-CD2 4.1Å |
| 1172 | N | 86 | Confident | 82.6 | Confident | 86 Ų | 86 | 56.4 Ų | 56.4 | 46% | 0.46 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.1 | -44.6 | 177.7 | -68.5 | -19.9 | 0 | 0 | 0 | 111.5 | Q1168 Q1169 I1175 R1176 | Q1168-N1172 VanDerWaalsContact O-CG 3.26Å; Q1168-N1172 PolarHBondContact O-N 3.46Å; Q1168-N1172 PolarHBondContact O-ND2 3.35Å; Q1169-N1172 PolarHBondContact O-N 3.05Å; N1172-I1175 PolarHBondContact O-N 2.86Å; N1172-R1176 VanDerWaalsContact O-CB 3.29Å; N1172-R1176 WeakPolarHBondContact O-CB 3.02Å; N1172-R1176 PolarHBondContact O-N 2.97Å |
| 1173 | D | 86.9 | Confident | 83.8 | Confident | 7 Ų | 7 | 58.1 Ų | 58.1 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68 | -41.8 | 177.4 | -73.3 | -32.3 | 0 | 0 | 0 | 112.9 | Q1169 M1170 L1171 I1175 R1176 Y1177 L1259 H1263 W1296 | Q1169-D1173 PolarHBondContact O-N 2.8Å; M1170-D1173 PolarHBondContact O-N 2.97Å; L1171-D1173 VanDerWaalsContact C-N 3.32Å; L1171-D1173 PolarHBondContact O-N 2.95Å; D1173-I1175 VanDerWaalsContact C-N 3.28Å; D1173-I1175 PolarHBondContact O-N 3.21Å; D1173-R1176 PolarHBondContact O-N 3.29Å; D1173-Y1177 HydrophobicContact CB-CD2 4.09Å; D1173-Y1177 HydrophobicContact CB-CE2 3.98Å; D1173-Y1177 WeakPolarHBondContact O-CB 3.17Å; D1173-Y1177 WeakPolarHBondContact O-CD2 3.41Å; D1173-Y1177 PolarHBondContact O-N 3.48Å; D1173-L1259 HydrophobicContact CB-CD1 3.82Å; D1173-L1259 HydrophobicContact CB-CD2 3.63Å; D1173-L1259 HydrophobicContact CB-CG 4.33Å; D1173-H1263 IonicContact OD2-CD2 2.7Å; D1173-H1263 IonicContact OD2-CE1 3.45Å; D1173-H1263 IonicContact OD2-NE2 3.32Å; D1173-H1263 PolarHBondContact OD2-NE2 2.9Å; D1173-W1296 VanDerWaalsContact CG-CZ2 3.47Å; D1173-W1296 WeakPolarHBondContact OD1-CH2 3.34Å; D1173-W1296 VanDerWaalsContact OD1-CZ2 3.23Å; D1173-W1296 WeakPolarHBondContact OD1-CZ2 3.19Å; D1173-W1296 VanDerWaalsContact OD2-CH2 3.25Å; D1173-W1296 WeakPolarHBondContact OD2-CH2 3.2Å; D1173-W1296 VanDerWaalsContact OD2-CZ2 3.27Å; D1173-W1296 WeakPolarHBondContact OD2-CZ2 3.41Å |
| 1174 | L | 87.9 | Confident | 84.3 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.7 | -39.9 | 175.3 | -75.3 | 168.6 | 0 | 0 | 0 | 111.5 | M1107 M1170 L1171 T1178 L1209 L1213 I1256 L1259 | M1107-L1174 HydrophobicContact CE-CD1 4.21Å; M1170-L1174 HydrophobicContact CE-CD1 3.94Å; M1170-L1174 HydrophobicContact CE-CD2 4Å; M1170-L1174 HydrophobicContact CE-CG 3.95Å; M1170-L1174 HydrophobicContact CG-CD1 4.04Å; M1170-L1174 HydrophobicContact CG-CG 4.5Å; M1170-L1174 WeakPolarHBondContact O-CB 3.31Å; M1170-L1174 VanDerWaalsContact O-CG 3.23Å; M1170-L1174 WeakPolarHBondContact O-CG 3.3Å; M1170-L1174 PolarHBondContact O-N 2.94Å; L1171-L1174 PolarHBondContact O-N 2.52Å; L1174-T1178 PolarHBondContact O-N 3.02Å; L1174-T1178 VanDerWaalsContact O-N 3.12Å; L1174-T1178 PolarHBondContact O-OG1 3.42Å; L1174-L1209 HydrophobicContact CB-CD2 4.36Å; L1174-L1209 HydrophobicContact CD2-CD2 3.65Å; L1174-L1209 HydrophobicContact CD2-CG 4.25Å; L1174-L1213 HydrophobicContact CD1-CD1 4.36Å; L1174-L1213 HydrophobicContact CD2-CD1 4.3Å; L1174-I1256 HydrophobicContact CD2-CG2 3.97Å; L1174-L1259 HydrophobicContact CD2-CD1 4.1Å; L1174-L1259 HydrophobicContact CG-CD1 4.3Å |
| 1175 | I | 86.1 | Confident | 85.1 | Confident | 105 Ų | 105 | 61.3 Ų | 61.3 | 54% | 0.538 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.2 | -52.8 | 173.5 | -67 | 165.6 | 0 | 0 | 0 | 109.9 | L1171 N1172 D1173 Y1177 T1178 | L1171-I1175 HydrophobicContact CD1-CD1 4.19Å; L1171-I1175 HydrophobicContact CD1-CG1 4.47Å; L1171-I1175 HydrophobicContact CG-CD1 3.99Å; L1171-I1175 WeakPolarHBondContact O-CG1 3.42Å; L1171-I1175 PolarHBondContact O-N 3.41Å; N1172-I1175 PolarHBondContact O-N 2.86Å; D1173-I1175 VanDerWaalsContact C-N 3.28Å; D1173-I1175 PolarHBondContact O-N 3.21Å; I1175-Y1177 PolarHBondContact O-N 3.46Å; I1175-Y1177 VanDerWaalsContact O-N 3.17Å; I1175-T1178 WeakPolarHBondContact O-CB 3.39Å; I1175-T1178 PolarHBondContact O-N 2.96Å; I1175-T1178 PolarHBondContact O-OG1 3.23Å |
| 1176 | R | 85.7 | Confident | 85.6 | Confident | 155 Ų | 155 | 55.2 Ų | 55.2 | 59% | 0.585 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -56 | -34.3 | -177.8 | -170.4 | 179.4 | -176.3 | -164.2 | 5.2 | 113.6 | N1172 D1173 | N1172-R1176 VanDerWaalsContact O-CB 3.29Å; N1172-R1176 WeakPolarHBondContact O-CB 3.02Å; N1172-R1176 PolarHBondContact O-N 2.97Å; D1173-R1176 PolarHBondContact O-N 3.29Å |
| 1177 | Y | 85.3 | Confident | 86.1 | Confident | 10 Ų | 10 | 54.4 Ų | 54.4 | 4% | 0.039 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 11.9 | -176.6 | -51.6 | -49.7 | 0 | 0 | 0 | 114 | D1173 I1175 N1179 W1180 L1255 L1259 P1294 W1296 | D1173-Y1177 HydrophobicContact CB-CD2 4.09Å; D1173-Y1177 HydrophobicContact CB-CE2 3.98Å; D1173-Y1177 WeakPolarHBondContact O-CB 3.17Å; D1173-Y1177 WeakPolarHBondContact O-CD2 3.41Å; D1173-Y1177 PolarHBondContact O-N 3.48Å; I1175-Y1177 PolarHBondContact O-N 3.46Å; I1175-Y1177 VanDerWaalsContact O-N 3.17Å; Y1177-N1179 VanDerWaalsContact C-N 3.32Å; Y1177-N1179 PolarHBondContact O-N 2.89Å; Y1177-W1180 WeakPolarHBondContact O-CB 3.43Å; Y1177-W1180 PolarHBondContact O-N 3.19Å; Y1177-W1180 VanDerWaalsContact O-N 3.16Å; Y1177-L1255 HydrophobicContact CD2-CD1 4.09Å; Y1177-L1255 HydrophobicContact CG-CD1 4.17Å; Y1177-L1259 HydrophobicContact CD2-CD1 4.35Å; Y1177-L1259 HydrophobicContact CD2-CD2 4.29Å; Y1177-L1259 HydrophobicContact CE2-CD2 4.26Å; Y1177-P1294 HydrophobicContact CD1-CB 3.91Å; Y1177-P1294 HydrophobicContact CD1-CG 3.66Å; Y1177-P1294 HydrophobicContact CD2-CG 4.29Å; Y1177-P1294 HydrophobicContact CE1-CB 3.25Å; Y1177-P1294 HydrophobicContact CE1-CG 3.53Å; Y1177-P1294 HydrophobicContact CE2-CB 4.26Å; Y1177-P1294 HydrophobicContact CE2-CG 4.17Å; Y1177-P1294 HydrophobicContact CG-CG 4.05Å; Y1177-P1294 VanDerWaalsContact CZ-CB 3.43Å; Y1177-W1296 HydrophobicContact CE2-CZ2 4.14Å |
| 1178 | T | 86.6 | Confident | 86.3 | Confident | 13 Ų | 13 | 58.2 Ų | 58.2 | 8% | 0.08 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -54.6 | -45.6 | 177.1 | -76.7 | 0 | 0 | 0 | 0 | 112.3 | L1174 I1175 W1180 V1181 F1182 L1209 | L1174-T1178 PolarHBondContact O-N 3.02Å; L1174-T1178 VanDerWaalsContact O-N 3.12Å; L1174-T1178 PolarHBondContact O-OG1 3.42Å; I1175-T1178 WeakPolarHBondContact O-CB 3.39Å; I1175-T1178 PolarHBondContact O-N 2.96Å; I1175-T1178 PolarHBondContact O-OG1 3.23Å; T1178-W1180 PolarHBondContact O-N 3.47Å; T1178-V1181 PolarHBondContact O-N 3.23Å; T1178-F1182 HydrophobicContact CG2-CE1 4.14Å; T1178-F1182 HydrophobicContact CG2-CE2 3.73Å; T1178-F1182 HydrophobicContact CG2-CZ 3.44Å; T1178-F1182 VanDerWaalsContact CG2-CZ 3.44Å; T1178-F1182 PolarHBondContact O-N 3.09Å; T1178-L1209 HydrophobicContact CG2-CB 4.16Å; T1178-L1209 VanDerWaalsContact OG1-CB 3.24Å; T1178-L1209 WeakPolarHBondContact OG1-CB 3.36Å |
| 1179 | N | 84 | Confident | 86.5 | Confident | 107 Ų | 107 | 58 Ų | 58 | 57% | 0.572 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -60.6 | -11.1 | -178 | -70.9 | -7.7 | 0 | 0 | 0 | 114.7 | Y1177 F1182 | Y1177-N1179 VanDerWaalsContact C-N 3.32Å; Y1177-N1179 PolarHBondContact O-N 2.89Å; N1179-F1182 CarbonylContact C-O 3.56Å; N1179-F1182 VanDerWaalsContact CA-O 3.27Å; N1179-F1182 WeakPolarHBondContact CA-O 3.23Å |
| 1180 | W | 81.3 | Confident | 86.8 | Confident | 103 Ų | 103 | 56.2 Ų | 56.2 | 39% | 0.39 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -90.9 | -24.5 | -179.8 | -68.8 | 25 | 0 | 0 | 0 | 112.3 | Y1177 T1178 A1251 W1292 P1294 | Y1177-W1180 WeakPolarHBondContact O-CB 3.43Å; Y1177-W1180 PolarHBondContact O-N 3.19Å; Y1177-W1180 VanDerWaalsContact O-N 3.16Å; T1178-W1180 PolarHBondContact O-N 3.47Å; W1180-A1251 WeakPolarHBondContact O-CB 3.48Å; W1180-W1292 WeakPolarHBondContact CZ3-O 3.39Å; W1180-P1294 HydrophobicContact CE3-CG 4.03Å; W1180-P1294 HydrophobicContact CH2-CB 4.17Å; W1180-P1294 HydrophobicContact CH2-CG 3.72Å; W1180-P1294 HydrophobicContact CZ2-CG 4.34Å; W1180-P1294 HydrophobicContact CZ3-CB 4.44Å; W1180-P1294 HydrophobicContact CZ3-CG 3.51Å |
| 1181 | V | 86.5 | Confident | 87 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -80.7 | -42.8 | 174.9 | -172.4 | 0 | 0 | 0 | 0 | 109.7 | T1178 R1189 L1209 L1212 F1249 L1252 L1255 | T1178-V1181 PolarHBondContact O-N 3.23Å; V1181-R1189 PolarHBondContact O-NH1 3.4Å; V1181-R1189 PolarHBondContact O-NH2 3.31Å; V1181-L1209 HydrophobicContact CB-CD1 4.2Å; V1181-L1209 HydrophobicContact CG1-CD1 4.1Å; V1181-L1209 HydrophobicContact CG2-CD1 3.93Å; V1181-L1209 HydrophobicContact CG2-CD2 3.97Å; V1181-L1212 HydrophobicContact CG1-CD2 4.16Å; V1181-F1249 HydrophobicContact CG1-CB 3.87Å; V1181-F1249 HydrophobicContact CG1-CD1 3.95Å; V1181-F1249 HydrophobicContact CG1-CG 4.24Å; V1181-L1252 HydrophobicContact CG1-CB 3.89Å; V1181-L1252 HydrophobicContact CG1-CD1 4.05Å; V1181-L1255 HydrophobicContact CG2-CD2 3.56Å |
| 1182 | F | 87.2 | Confident | 87.1 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 0% | 0.004 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -151.5 | 151.3 | 177.4 | 54.6 | -92.9 | 0 | 0 | 0 | 111.3 | T1178 N1179 W1186 L1209 L1212 F1249 | T1178-F1182 HydrophobicContact CG2-CE1 4.14Å; T1178-F1182 HydrophobicContact CG2-CE2 3.73Å; T1178-F1182 HydrophobicContact CG2-CZ 3.44Å; T1178-F1182 VanDerWaalsContact CG2-CZ 3.44Å; T1178-F1182 PolarHBondContact O-N 3.09Å; N1179-F1182 CarbonylContact C-O 3.56Å; N1179-F1182 VanDerWaalsContact CA-O 3.27Å; N1179-F1182 WeakPolarHBondContact CA-O 3.23Å; F1182-W1186 HydrophobicContact CB-CB 4.3Å; F1182-W1186 HydrophobicContact CD1-CB 3.69Å; F1182-W1186 HydrophobicContact CD1-CG 4.47Å; F1182-W1186 HydrophobicContact CD2-CB 3.9Å; F1182-W1186 HydrophobicContact CE1-CB 3.91Å; F1182-W1186 AromaticContact CE1-CD1 3.81Å; F1182-W1186 HydrophobicContact CE1-CG 4.21Å; F1182-W1186 HydrophobicContact CE2-CB 4.1Å; F1182-W1186 AromaticContact CE2-CD1 3.96Å; F1182-W1186 HydrophobicContact CE2-CG 4.48Å; F1182-W1186 HydrophobicContact CG-CB 3.69Å; F1182-W1186 HydrophobicContact CZ-CB 4.11Å; F1182-W1186 AromaticContact CZ-CD1 3.52Å; F1182-W1186 HydrophobicContact CZ-CG 4.22Å; F1182-L1209 HydrophobicContact CE1-CB 4.27Å; F1182-L1209 HydrophobicContact CE1-CD1 4.24Å; F1182-L1209 HydrophobicContact CZ-CB 4.48Å; F1182-L1212 HydrophobicContact CD1-CD2 3.97Å; F1182-L1212 HydrophobicContact CE1-CD2 3.87Å; F1182-F1249 HydrophobicContact CB-CD1 4.32Å; F1182-F1249 HydrophobicContact CB-CE1 4.1Å; F1182-F1249 HydrophobicContact CD1-CD1 4.36Å; F1182-F1249 HydrophobicContact CD1-CE1 4.25Å |
| 1183 | N | 81.8 | Confident | 87.3 | Confident | 95 Ų | 95 | 62.7 Ų | 62.7 | 51% | 0.508 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -86 | 117.4 | 172.4 | -65.5 | -24.1 | 0 | 0 | 0 | 108.7 | H1185 | N1183-H1185 VanDerWaalsContact C-N 3.29Å; N1183-H1185 PolarHBondContact O-N 3.13Å |
| 1184 | E | 75.8 | Confident | 87.5 | Confident | 143 Ų | 143 | 62.4 Ų | 62.4 | 67% | 0.668 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 59.7 | -66.8 | 174 | -59.7 | 174.8 | 172.7 | 0 | 0 | 115.7 | T1207 | E1184-T1207 VanDerWaalsContact O-CA 3.31Å; E1184-T1207 WeakPolarHBondContact O-CA 3.28Å |
| 1185 | H | 88.8 | Confident | 87.7 | Confident | 81 Ų | 81 | 63 Ų | 63 | 38% | 0.375 | 31% | 0.311 | S | S | . | . | trans | -125.5 | 109.7 | -168.6 | -66.1 | -88.5 | 0 | 0 | 0 | 112.9 | N1183 F1187 S1188 D1206 | N1183-H1185 VanDerWaalsContact C-N 3.29Å; N1183-H1185 PolarHBondContact O-N 3.13Å; H1185-F1187 VanDerWaalsContact C-N 3.34Å; H1185-F1187 PolarHBondContact O-N 3.04Å; H1185-S1188 WeakPolarHBondContact O-CB 3.44Å; H1185-S1188 PolarHBondContact O-N 3.1Å; H1185-S1188 PolarHBondContact O-OG 3.47Å; H1185-D1206 CarbonylContact C-O 3.51Å; H1185-D1206 WeakPolarHBondContact CA-O 3.38Å; H1185-D1206 IonicContact CE1-OD1 3.71Å; H1185-D1206 IonicContact CE1-OD2 2.65Å; H1185-D1206 IonicContact CG-OD2 2.68Å; H1185-D1206 IonicContact ND1-OD1 2.62Å; H1185-D1206 PolarHBondContact ND1-OD1 3.43Å; H1185-D1206 IonicContact ND1-OD2 3.54Å; H1185-D1206 PolarHBondContact ND1-OD2 2.94Å | ||
| 1186 | W | 92.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -71.9 | -20 | -176.7 | 64 | -104.4 | 0 | 0 | 0 | 115.2 | F1182 S1188 R1189 L1190 L1198 Y1204 Q1205 D1206 S1208 L1212 A1215 F1249 | F1182-W1186 HydrophobicContact CB-CB 4.3Å; F1182-W1186 HydrophobicContact CD1-CB 3.69Å; F1182-W1186 HydrophobicContact CD1-CG 4.47Å; F1182-W1186 HydrophobicContact CD2-CB 3.9Å; F1182-W1186 HydrophobicContact CE1-CB 3.91Å; F1182-W1186 AromaticContact CE1-CD1 3.81Å; F1182-W1186 HydrophobicContact CE1-CG 4.21Å; F1182-W1186 HydrophobicContact CE2-CB 4.1Å; F1182-W1186 AromaticContact CE2-CD1 3.96Å; F1182-W1186 HydrophobicContact CE2-CG 4.48Å; F1182-W1186 HydrophobicContact CG-CB 3.69Å; F1182-W1186 HydrophobicContact CZ-CB 4.11Å; F1182-W1186 AromaticContact CZ-CD1 3.52Å; F1182-W1186 HydrophobicContact CZ-CG 4.22Å; W1186-S1188 PolarHBondContact O-N 3.02Å; W1186-R1189 PolarHBondContact O-N 3.47Å; W1186-L1190 HydrophobicContact CE3-CD1 3.65Å; W1186-L1190 HydrophobicContact CZ3-CD1 3.54Å; W1186-L1198 HydrophobicContact CH2-CD1 4.24Å; W1186-L1198 HydrophobicContact CZ3-CD1 3.99Å; W1186-Y1204 HydrophobicContact CH2-CG 4.47Å; W1186-Y1204 HydrophobicContact CZ2-CD1 4.48Å; W1186-Y1204 HydrophobicContact CZ2-CG 4.42Å; W1186-Q1205 PolarHBondContact NE1-O 2.82Å; W1186-Q1205 VanDerWaalsContact NE1-O 3.1Å; W1186-D1206 VanDerWaalsContact CD1-C 3.42Å; W1186-D1206 PolarHBondContact N-O 2.84Å; W1186-S1208 PolarHBondContact NE1-O 3.15Å; W1186-L1212 HydrophobicContact CB-CD2 4.45Å; W1186-L1212 HydrophobicContact CD2-CB 4.08Å; W1186-L1212 HydrophobicContact CD2-CD1 3.87Å; W1186-L1212 HydrophobicContact CD2-CG 4.45Å; W1186-L1212 HydrophobicContact CE3-CD1 3.77Å; W1186-L1212 HydrophobicContact CG-CB 4.17Å; W1186-L1212 HydrophobicContact CG-CD1 4.32Å; W1186-L1212 HydrophobicContact CG-CD2 4.46Å; W1186-L1212 HydrophobicContact CZ2-CB 4.33Å; W1186-L1212 HydrophobicContact CZ3-CD1 4.12Å; W1186-A1215 HydrophobicContact CH2-CB 3.54Å; W1186-A1215 HydrophobicContact CZ2-CB 4.13Å; W1186-A1215 HydrophobicContact CZ3-CB 4.33Å; W1186-F1249 HydrophobicContact CB-CE1 3.83Å; W1186-F1249 HydrophobicContact CB-CZ 4.01Å |
| 1187 | F | 92.5 | Very high | 88.1 | Confident | 40 Ų | 40 | 56.8 Ų | 56.8 | 18% | 0.175 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -59.4 | -28.3 | 170.3 | -69.3 | -18.7 | 0 | 0 | 0 | 112.7 | H1185 R1189 L1190 V1195 L1199 D1206 | H1185-F1187 VanDerWaalsContact C-N 3.34Å; H1185-F1187 PolarHBondContact O-N 3.04Å; F1187-R1189 PolarHBondContact O-N 3.47Å; F1187-L1190 PolarHBondContact O-N 3.03Å; F1187-L1190 VanDerWaalsContact O-N 3.12Å; F1187-V1195 HydrophobicContact CB-CG1 4.37Å; F1187-V1195 HydrophobicContact CB-CG2 4.19Å; F1187-V1195 HydrophobicContact CD1-CG1 4Å; F1187-V1195 HydrophobicContact CD1-CG2 4.23Å; F1187-V1195 HydrophobicContact CD2-CG1 3.98Å; F1187-V1195 HydrophobicContact CE1-CG1 4.25Å; F1187-V1195 HydrophobicContact CE2-CG1 4.23Å; F1187-V1195 HydrophobicContact CG-CG1 3.87Å; F1187-V1195 HydrophobicContact CG-CG2 4.31Å; F1187-V1195 HydrophobicContact CZ-CG1 4.38Å; F1187-L1199 HydrophobicContact CE2-CD1 4.23Å; F1187-L1199 HydrophobicContact CE2-CD2 4.18Å; F1187-L1199 HydrophobicContact CE2-CG 4.49Å; F1187-L1199 HydrophobicContact CZ-CD1 4.42Å; F1187-L1199 HydrophobicContact CZ-CD2 3.81Å; F1187-L1199 HydrophobicContact CZ-CG 4.21Å; F1187-D1206 HydrophobicContact CB-CB 4.26Å; F1187-D1206 HydrophobicContact CD1-CB 3.99Å; F1187-D1206 HydrophobicContact CD2-CB 3.47Å; F1187-D1206 VanDerWaalsContact CD2-CB 3.47Å; F1187-D1206 HydrophobicContact CE1-CB 4.18Å; F1187-D1206 HydrophobicContact CE2-CB 3.7Å; F1187-D1206 HydrophobicContact CG-CB 3.62Å; F1187-D1206 HydrophobicContact CZ-CB 4.04Å |
| 1188 | S | 89.2 | Confident | 88.4 | Confident | 95 Ų | 95 | 56.3 Ų | 56.3 | 66% | 0.664 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -63.7 | -9.8 | -179.5 | 68.3 | 0 | 0 | 0 | 0 | 115.1 | H1185 W1186 | H1185-S1188 WeakPolarHBondContact O-CB 3.44Å; H1185-S1188 PolarHBondContact O-N 3.1Å; H1185-S1188 PolarHBondContact O-OG 3.47Å; W1186-S1188 PolarHBondContact O-N 3.02Å |
| 1189 | R | 89.1 | Confident | 88.6 | Confident | 87 Ų | 87 | 59.2 Ų | 59.2 | 33% | 0.328 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -106.6 | 7.4 | 178.1 | -63.8 | -164 | -178.7 | 165.1 | 4.9 | 114.4 | V1181 W1186 F1187 R1248 F1249 | V1181-R1189 PolarHBondContact O-NH1 3.4Å; V1181-R1189 PolarHBondContact O-NH2 3.31Å; W1186-R1189 PolarHBondContact O-N 3.47Å; F1187-R1189 PolarHBondContact O-N 3.47Å; R1189-R1248 VanDerWaalsContact CD-O 3.22Å; R1189-R1248 WeakPolarHBondContact CD-O 3.33Å; R1189-R1248 PolarHBondContact NH1-O 2.77Å; R1189-R1248 VanDerWaalsContact NH1-O 3.08Å; R1189-R1248 VanDerWaalsContact O-CD 3.24Å; R1189-R1248 WeakPolarHBondContact O-CD 3.34Å; R1189-R1248 PolarHBondContact O-NE 3.15Å; R1189-F1249 HydrophobicContact CB-CE1 4.23Å; R1189-F1249 HydrophobicContact CB-CZ 4.05Å; R1189-F1249 HydrophobicContact CG-CE1 4.44Å |
| 1190 | L | 92.2 | Very high | 88.7 | Confident | 21 Ų | 21 | 58.5 Ų | 58.5 | 11% | 0.11 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -120.1 | 155.2 | -175.2 | -57.5 | 179.3 | 0 | 0 | 0 | 110.9 | W1186 F1187 L1194 V1195 L1198 Y1244 W1245 R1248 F1249 | W1186-L1190 HydrophobicContact CE3-CD1 3.65Å; W1186-L1190 HydrophobicContact CZ3-CD1 3.54Å; F1187-L1190 PolarHBondContact O-N 3.03Å; F1187-L1190 VanDerWaalsContact O-N 3.12Å; L1190-L1194 HydrophobicContact CB-CD2 4.16Å; L1190-L1194 HydrophobicContact CD1-CD2 4.03Å; L1190-L1194 HydrophobicContact CD2-CD2 4.24Å; L1190-L1194 HydrophobicContact CG-CD2 4.38Å; L1190-V1195 HydrophobicContact CB-CG2 3.73Å; L1190-V1195 HydrophobicContact CD1-CG2 4.27Å; L1190-L1198 HydrophobicContact CD1-CD1 4.09Å; L1190-Y1244 HydrophobicContact CD2-CE1 3.9Å; L1190-Y1244 WeakPolarHBondContact CD2-OH 3.3Å; L1190-W1245 HydrophobicContact CD1-CH2 4.09Å; L1190-W1245 HydrophobicContact CD1-CZ3 4.09Å; L1190-W1245 HydrophobicContact CD2-CE3 4.44Å; L1190-W1245 HydrophobicContact CD2-CH2 4.25Å; L1190-W1245 HydrophobicContact CD2-CZ3 3.77Å; L1190-R1248 HydrophobicContact CD2-CG 4.36Å; L1190-F1249 HydrophobicContact CD2-CE2 4.1Å; L1190-F1249 HydrophobicContact CD2-CZ 4.39Å |
| 1191 | E | 92.3 | Very high | 88.8 | Confident | 53 Ų | 53 | 57.9 Ų | 57.9 | 25% | 0.248 | 31% | 0.314 | C | S | . | . | trans | -67.1 | 142.3 | 172.2 | -59.6 | 74.8 | -163.8 | 0 | 0 | 110.3 | E1193 L1194 V1195 M1233 Y1244 R1248 | E1191-E1193 PolarHBondContact O-N 3.38Å; E1191-L1194 HydrophobicContact CB-CB 4.27Å; E1191-L1194 WeakPolarHBondContact O-CA 3.45Å; E1191-L1194 WeakPolarHBondContact O-CB 3.27Å; E1191-L1194 PolarHBondContact O-N 3.01Å; E1191-V1195 PolarHBondContact O-N 3.36Å; E1191-M1233 HydrophobicContact CB-CE 4.48Å; E1191-M1233 HydrophobicContact CB-SD 4.2Å; E1191-M1233 HydrophobicContact CG-SD 4.42Å; E1191-Y1244 WeakPolarHBondContact OE2-CE2 3.42Å; E1191-Y1244 PolarHBondContact OE2-OH 3.32Å; E1191-R1248 IonicContact OE1-CZ 2.76Å; E1191-R1248 IonicContact OE1-NE 2.71Å; E1191-R1248 IonicContact OE1-NH2 3.78Å; E1191-R1248 PolarHBondContact OE1-NH2 3.35Å | ||
| 1192 | S | 90.3 | Very high | 88.7 | Confident | 90 Ų | 90 | 61.7 Ų | 61.7 | 63% | 0.629 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -58 | -44.7 | -176.1 | 47.2 | 0 | 0 | 0 | 0 | 112.9 | L1194 V1195 D1196 | S1192-L1194 PolarHBondContact O-N 3.38Å; S1192-V1195 PolarHBondContact O-N 3.17Å; S1192-V1195 VanDerWaalsContact O-N 3.11Å; S1192-D1196 PolarHBondContact O-N 2.86Å |
| 1193 | E | 90.7 | Very high | 88.7 | Confident | 107 Ų | 107 | 66 Ų | 66 | 50% | 0.5 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.4 | -32.4 | 176.5 | -58.1 | -173.3 | 176.1 | 0 | 0 | 112.7 | E1191 N1197 I1230 M1233 | E1191-E1193 PolarHBondContact O-N 3.38Å; E1193-N1197 WeakPolarHBondContact O-CB 3.41Å; E1193-N1197 PolarHBondContact O-N 3.14Å; E1193-I1230 HydrophobicContact CB-CD1 3.96Å; E1193-M1233 HydrophobicContact CB-CE 4.12Å; E1193-M1233 HydrophobicContact CG-CE 4.41Å; E1193-M1233 VanDerWaalsContact OE2-CE 3.25Å; E1193-M1233 WeakPolarHBondContact OE2-CE 3.23Å |
| 1194 | L | 90.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -79.3 | -32.9 | -179.6 | -171.2 | 147 | 0 | 0 | 0 | 111.3 | L1190 E1191 S1192 L1198 M1233 Y1234 Y1244 | L1190-L1194 HydrophobicContact CB-CD2 4.16Å; L1190-L1194 HydrophobicContact CD1-CD2 4.03Å; L1190-L1194 HydrophobicContact CD2-CD2 4.24Å; L1190-L1194 HydrophobicContact CG-CD2 4.38Å; E1191-L1194 HydrophobicContact CB-CB 4.27Å; E1191-L1194 WeakPolarHBondContact O-CA 3.45Å; E1191-L1194 WeakPolarHBondContact O-CB 3.27Å; E1191-L1194 PolarHBondContact O-N 3.01Å; S1192-L1194 PolarHBondContact O-N 3.38Å; L1194-L1198 HydrophobicContact CD2-CD1 4.09Å; L1194-L1198 WeakPolarHBondContact O-CG 3.38Å; L1194-L1198 PolarHBondContact O-N 3.06Å; L1194-M1233 HydrophobicContact CB-SD 4.24Å; L1194-M1233 HydrophobicContact CD1-CB 4.18Å; L1194-M1233 HydrophobicContact CD1-SD 4.33Å; L1194-Y1234 HydrophobicContact CD1-CD1 4.47Å; L1194-Y1234 HydrophobicContact CD1-CD2 4.36Å; L1194-Y1234 HydrophobicContact CD1-CE1 3.94Å; L1194-Y1234 HydrophobicContact CD1-CE2 3.79Å; L1194-Y1234 WeakPolarHBondContact CD2-OH 3.49Å; L1194-Y1234 HydrophobicContact CG-CE2 4.24Å; L1194-Y1244 HydrophobicContact CD1-CE1 4.25Å; L1194-Y1244 HydrophobicContact CD1-CE2 4.25Å; L1194-Y1244 WeakPolarHBondContact CD1-OH 3.09Å |
| 1195 | V | 92 | Very high | 89.7 | Confident | 17 Ų | 17 | 60.5 Ų | 60.5 | 10% | 0.103 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.5 | -44.6 | 168.3 | 177.6 | 0 | 0 | 0 | 0 | 111.3 | F1187 L1190 E1191 S1192 N1197 L1198 L1199 | F1187-V1195 HydrophobicContact CB-CG1 4.37Å; F1187-V1195 HydrophobicContact CB-CG2 4.19Å; F1187-V1195 HydrophobicContact CD1-CG1 4Å; F1187-V1195 HydrophobicContact CD1-CG2 4.23Å; F1187-V1195 HydrophobicContact CD2-CG1 3.98Å; F1187-V1195 HydrophobicContact CE1-CG1 4.25Å; F1187-V1195 HydrophobicContact CE2-CG1 4.23Å; F1187-V1195 HydrophobicContact CG-CG1 3.87Å; F1187-V1195 HydrophobicContact CG-CG2 4.31Å; F1187-V1195 HydrophobicContact CZ-CG1 4.38Å; L1190-V1195 HydrophobicContact CB-CG2 3.73Å; L1190-V1195 HydrophobicContact CD1-CG2 4.27Å; E1191-V1195 PolarHBondContact O-N 3.36Å; S1192-V1195 PolarHBondContact O-N 3.17Å; S1192-V1195 VanDerWaalsContact O-N 3.11Å; V1195-N1197 VanDerWaalsContact C-N 3.33Å; V1195-N1197 PolarHBondContact O-N 3.08Å; V1195-L1198 WeakPolarHBondContact O-CA 3.12Å; V1195-L1198 WeakPolarHBondContact O-CB 3.36Å; V1195-L1198 PolarHBondContact O-N 2.85Å; V1195-L1198 VanDerWaalsContact O-N 3.1Å; V1195-L1199 HydrophobicContact CG1-CD1 3.88Å; V1195-L1199 HydrophobicContact CG1-CG 4.37Å; V1195-L1199 WeakPolarHBondContact O-CG 3.44Å; V1195-L1199 PolarHBondContact O-N 3.03Å |
| 1196 | D | 90.4 | Very high | 89.7 | Confident | 104 Ų | 104 | 58.6 Ų | 58.6 | 56% | 0.556 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.6 | -40.8 | 174.5 | -72.3 | -30.6 | 0 | 0 | 0 | 111.4 | S1192 L1198 L1199 S1200 | S1192-D1196 PolarHBondContact O-N 2.86Å; D1196-L1198 VanDerWaalsContact C-N 3.28Å; D1196-L1198 PolarHBondContact O-N 2.85Å; D1196-L1199 PolarHBondContact O-N 3.47Å; D1196-S1200 VanDerWaalsContact O-CB 3.29Å; D1196-S1200 WeakPolarHBondContact O-CB 3.29Å; D1196-S1200 PolarHBondContact O-N 3.23Å; D1196-S1200 PolarHBondContact O-OG 3.46Å |
| 1197 | N | 91.3 | Very high | 89.5 | Confident | 25 Ų | 25 | 62 Ų | 62 | 13% | 0.134 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.2 | -26.7 | 174.2 | -167.4 | -95.6 | 0 | 0 | 0 | 112.9 | E1193 V1195 S1200 K1219 I1230 | E1193-N1197 WeakPolarHBondContact O-CB 3.41Å; E1193-N1197 PolarHBondContact O-N 3.14Å; V1195-N1197 VanDerWaalsContact C-N 3.33Å; V1195-N1197 PolarHBondContact O-N 3.08Å; N1197-S1200 WeakPolarHBondContact CA-OG 3.29Å; N1197-S1200 PolarHBondContact O-OG 3Å; N1197-K1219 PolarHBondContact O-NZ 3.06Å; N1197-K1219 PolarHBondContact OD1-NZ 3.48Å; N1197-I1230 HydrophobicContact CB-CD1 4.04Å; N1197-I1230 HydrophobicContact CB-CG1 4.06Å; N1197-I1230 HydrophobicContact CB-CG2 4.37Å |
| 1198 | L | 90.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.4 | -58.4 | 168.5 | -81.9 | 160.7 | 0 | 0 | 0 | 110.7 | W1186 L1190 L1194 V1195 D1196 S1200 T1201 R1202 Y1204 A1215 K1219 W1245 | W1186-L1198 HydrophobicContact CH2-CD1 4.24Å; W1186-L1198 HydrophobicContact CZ3-CD1 3.99Å; L1190-L1198 HydrophobicContact CD1-CD1 4.09Å; L1194-L1198 HydrophobicContact CD2-CD1 4.09Å; L1194-L1198 WeakPolarHBondContact O-CG 3.38Å; L1194-L1198 PolarHBondContact O-N 3.06Å; V1195-L1198 WeakPolarHBondContact O-CA 3.12Å; V1195-L1198 WeakPolarHBondContact O-CB 3.36Å; V1195-L1198 PolarHBondContact O-N 2.85Å; V1195-L1198 VanDerWaalsContact O-N 3.1Å; D1196-L1198 VanDerWaalsContact C-N 3.28Å; D1196-L1198 PolarHBondContact O-N 2.85Å; L1198-S1200 VanDerWaalsContact C-N 3.34Å; L1198-S1200 PolarHBondContact O-N 3.46Å; L1198-T1201 PolarHBondContact O-N 3.27Å; L1198-T1201 PolarHBondContact O-OG1 3Å; L1198-R1202 PolarHBondContact O-N 3.3Å; L1198-Y1204 HydrophobicContact CB-CD2 4.42Å; L1198-Y1204 HydrophobicContact CB-CE2 4.2Å; L1198-Y1204 HydrophobicContact CD2-CE2 4.01Å; L1198-A1215 HydrophobicContact CD2-CB 3.75Å; L1198-K1219 HydrophobicContact CD2-CD 4.3Å; L1198-K1219 VanDerWaalsContact CD2-CE 3.46Å; L1198-K1219 HydrophobicContact CD2-CG 3.86Å; L1198-W1245 HydrophobicContact CD1-CH2 4.44Å |
| 1199 | L | 90.3 | Very high | 89.5 | Confident | 74 Ų | 74 | 56.9 Ų | 56.9 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62 | -35.8 | -172.7 | -71.2 | 173.8 | 0 | 0 | 0 | 113.5 | F1187 V1195 D1196 T1201 R1202 | F1187-L1199 HydrophobicContact CE2-CD1 4.23Å; F1187-L1199 HydrophobicContact CE2-CD2 4.18Å; F1187-L1199 HydrophobicContact CE2-CG 4.49Å; F1187-L1199 HydrophobicContact CZ-CD1 4.42Å; F1187-L1199 HydrophobicContact CZ-CD2 3.81Å; F1187-L1199 HydrophobicContact CZ-CG 4.21Å; V1195-L1199 HydrophobicContact CG1-CD1 3.88Å; V1195-L1199 HydrophobicContact CG1-CG 4.37Å; V1195-L1199 WeakPolarHBondContact O-CG 3.44Å; V1195-L1199 PolarHBondContact O-N 3.03Å; D1196-L1199 PolarHBondContact O-N 3.47Å; L1199-T1201 PolarHBondContact O-N 3.21Å; L1199-R1202 WeakPolarHBondContact CA-O 3.35Å; L1199-R1202 PolarHBondContact O-N 2.91Å |
| 1200 | S | 87.5 | Confident | 89.6 | Confident | 92 Ų | 92 | 55 Ų | 55 | 64% | 0.643 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -23.9 | 174 | 51.3 | 0 | 0 | 0 | 0 | 114.3 | D1196 N1197 L1198 | D1196-S1200 VanDerWaalsContact O-CB 3.29Å; D1196-S1200 WeakPolarHBondContact O-CB 3.29Å; D1196-S1200 PolarHBondContact O-N 3.23Å; D1196-S1200 PolarHBondContact O-OG 3.46Å; N1197-S1200 WeakPolarHBondContact CA-OG 3.29Å; N1197-S1200 PolarHBondContact O-OG 3Å; L1198-S1200 VanDerWaalsContact C-N 3.34Å; L1198-S1200 PolarHBondContact O-N 3.46Å |
| 1201 | T | 81.9 | Confident | 89.6 | Confident | 89 Ų | 89 | 56.8 Ų | 56.8 | 55% | 0.546 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -30.7 | 179.1 | 63.8 | 0 | 0 | 0 | 0 | 113.6 | L1198 L1199 | L1198-T1201 PolarHBondContact O-N 3.27Å; L1198-T1201 PolarHBondContact O-OG1 3Å; L1199-T1201 PolarHBondContact O-N 3.21Å |
| 1202 | R | 85.5 | Confident | 89.7 | Confident | 82 Ų | 82 | 54.2 Ų | 54.2 | 31% | 0.309 | 30% | 0.301 | S | S | . | . | trans | -168.7 | 148 | -173.9 | -158.3 | 179.1 | -173.8 | -80.5 | -1.2 | 110.1 | L1198 L1199 Y1204 | L1198-R1202 PolarHBondContact O-N 3.3Å; L1199-R1202 WeakPolarHBondContact CA-O 3.35Å; L1199-R1202 PolarHBondContact O-N 2.91Å; R1202-Y1204 HydrophobicContact CB-CD2 4.48Å; R1202-Y1204 HydrophobicContact CB-CE2 3.73Å; R1202-Y1204 WeakPolarHBondContact O-CD2 3.41Å; R1202-Y1204 WeakPolarHBondContact O-CE2 3.49Å | ||
| 1203 | S | 87 | Confident | 89.9 | Confident | 92 Ų | 92 | 50 Ų | 50 | 64% | 0.643 | 27% | 0.272 | S | S | * | . | trans | -69.1 | 141 | 164.4 | 48.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1204 | Y | 89.3 | Confident | 90 | Very high | 17 Ų | 17 | 47.3 Ų | 47.3 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | trans | -131.7 | 146.3 | 172.1 | -59.7 | -93.8 | 0 | 0 | 0 | 109.8 | W1186 L1198 R1202 Y1211 A1215 N1218 | W1186-Y1204 HydrophobicContact CH2-CG 4.47Å; W1186-Y1204 HydrophobicContact CZ2-CD1 4.48Å; W1186-Y1204 HydrophobicContact CZ2-CG 4.42Å; L1198-Y1204 HydrophobicContact CB-CD2 4.42Å; L1198-Y1204 HydrophobicContact CB-CE2 4.2Å; L1198-Y1204 HydrophobicContact CD2-CE2 4.01Å; R1202-Y1204 HydrophobicContact CB-CD2 4.48Å; R1202-Y1204 HydrophobicContact CB-CE2 3.73Å; R1202-Y1204 WeakPolarHBondContact O-CD2 3.41Å; R1202-Y1204 WeakPolarHBondContact O-CE2 3.49Å; Y1204-Y1211 AromaticContact CD1-CD1 3.88Å; Y1204-Y1211 HydrophobicContact CD1-CD1 3.88Å; Y1204-Y1211 HydrophobicContact CG-CD1 4.32Å; Y1204-A1215 HydrophobicContact CD1-CB 3.93Å; Y1204-A1215 HydrophobicContact CE1-CB 3.7Å; Y1204-N1218 PolarHBondContact OH-ND2 3.33Å | ||
| 1205 | Q | 88.2 | Confident | 90.1 | Very high | 105 Ų | 105 | 47.3 Ų | 47.3 | 49% | 0.491 | 26% | 0.257 | S | S | . | . | trans | -88.5 | 116.5 | 165.8 | -71.6 | 174.5 | -47.7 | 0 | 0 | 108.3 | W1186 T1207 S1208 Y1211 | W1186-Q1205 PolarHBondContact NE1-O 2.82Å; W1186-Q1205 VanDerWaalsContact NE1-O 3.1Å; Q1205-T1207 PolarHBondContact O-N 3.45Å; Q1205-S1208 PolarHBondContact O-N 2.85Å; Q1205-Y1211 HydrophobicContact CB-CD2 4.09Å; Q1205-Y1211 HydrophobicContact CB-CE2 4.41Å; Q1205-Y1211 HydrophobicContact CB-CG 4.25Å; Q1205-Y1211 HydrophobicContact CG-CE2 4.41Å; Q1205-Y1211 WeakPolarHBondContact O-CB 3.48Å; Q1205-Y1211 VanDerWaalsContact OE1-CE2 3.26Å | ||
| 1206 | D | 90.5 | Very high | 90.2 | Very high | 40 Ų | 40 | 46.5 Ų | 46.5 | 21% | 0.214 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -9.4 | 179.4 | 64.2 | -21.4 | 0 | 0 | 0 | 113.4 | H1185 W1186 F1187 | H1185-D1206 CarbonylContact C-O 3.51Å; H1185-D1206 WeakPolarHBondContact CA-O 3.38Å; H1185-D1206 IonicContact CE1-OD1 3.71Å; H1185-D1206 IonicContact CE1-OD2 2.65Å; H1185-D1206 IonicContact CG-OD2 2.68Å; H1185-D1206 IonicContact ND1-OD1 2.62Å; H1185-D1206 PolarHBondContact ND1-OD1 3.43Å; H1185-D1206 IonicContact ND1-OD2 3.54Å; H1185-D1206 PolarHBondContact ND1-OD2 2.94Å; W1186-D1206 VanDerWaalsContact CD1-C 3.42Å; W1186-D1206 PolarHBondContact N-O 2.84Å; F1187-D1206 HydrophobicContact CB-CB 4.26Å; F1187-D1206 HydrophobicContact CD1-CB 3.99Å; F1187-D1206 HydrophobicContact CD2-CB 3.47Å; F1187-D1206 VanDerWaalsContact CD2-CB 3.47Å; F1187-D1206 HydrophobicContact CE1-CB 4.18Å; F1187-D1206 HydrophobicContact CE2-CB 3.7Å; F1187-D1206 HydrophobicContact CG-CB 3.62Å; F1187-D1206 HydrophobicContact CZ-CB 4.04Å |
| 1207 | T | 88.7 | Confident | 90.4 | Very high | 72 Ų | 72 | 42.5 Ų | 42.5 | 44% | 0.442 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -5.5 | 169.4 | 58.9 | 0 | 0 | 0 | 0 | 114.2 | E1184 Q1205 | E1184-T1207 VanDerWaalsContact O-CA 3.31Å; E1184-T1207 WeakPolarHBondContact O-CA 3.28Å; Q1205-T1207 PolarHBondContact O-N 3.45Å |
| 1208 | S | 89.3 | Confident | 90.5 | Very high | 27 Ų | 27 | 42.7 Ų | 42.7 | 19% | 0.189 | 23% | 0.23 | C | C | . | . | trans | -113.6 | 119.2 | -171.2 | -178 | 0 | 0 | 0 | 0 | 113.3 | W1186 Q1205 L1210 Y1211 L1212 | W1186-S1208 PolarHBondContact NE1-O 3.15Å; Q1205-S1208 PolarHBondContact O-N 2.85Å; S1208-L1210 PolarHBondContact O-N 2.9Å; S1208-L1210 PolarHBondContact OG-N 2.9Å; S1208-Y1211 PolarHBondContact O-N 3Å; S1208-L1212 PolarHBondContact O-N 2.83Å | ||
| 1209 | L | 91.2 | Very high | 90.5 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.6 | -33 | 173.3 | 178.7 | 57.7 | 0 | 0 | 0 | 112.5 | L1174 T1178 V1181 F1182 Y1211 L1212 L1213 L1252 L1255 | L1174-L1209 HydrophobicContact CB-CD2 4.36Å; L1174-L1209 HydrophobicContact CD2-CD2 3.65Å; L1174-L1209 HydrophobicContact CD2-CG 4.25Å; T1178-L1209 HydrophobicContact CG2-CB 4.16Å; T1178-L1209 VanDerWaalsContact OG1-CB 3.24Å; T1178-L1209 WeakPolarHBondContact OG1-CB 3.36Å; V1181-L1209 HydrophobicContact CB-CD1 4.2Å; V1181-L1209 HydrophobicContact CG1-CD1 4.1Å; V1181-L1209 HydrophobicContact CG2-CD1 3.93Å; V1181-L1209 HydrophobicContact CG2-CD2 3.97Å; F1182-L1209 HydrophobicContact CE1-CB 4.27Å; F1182-L1209 HydrophobicContact CE1-CD1 4.24Å; F1182-L1209 HydrophobicContact CZ-CB 4.48Å; L1209-Y1211 VanDerWaalsContact C-N 3.31Å; L1209-Y1211 PolarHBondContact O-N 2.85Å; L1209-L1212 HydrophobicContact CD1-CD2 4.11Å; L1209-L1212 WeakPolarHBondContact O-CB 3.19Å; L1209-L1212 PolarHBondContact O-N 3.14Å; L1209-L1213 WeakPolarHBondContact O-CG 3.43Å; L1209-L1213 PolarHBondContact O-N 2.7Å; L1209-L1252 HydrophobicContact CD1-CD1 3.69Å; L1209-L1255 HydrophobicContact CD2-CD2 4.08Å |
| 1210 | L | 91.2 | Very high | 90.6 | Very high | 46 Ų | 46 | 40.2 Ų | 40.2 | 24% | 0.241 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.4 | -37.3 | 175 | -174.2 | 67.2 | 0 | 0 | 0 | 111.6 | M1107 L1171 S1208 R1214 | M1107-L1210 HydrophobicContact CB-CD1 3.62Å; M1107-L1210 HydrophobicContact CG-CD1 4.42Å; L1171-L1210 HydrophobicContact CD1-CD2 4.1Å; S1208-L1210 PolarHBondContact O-N 2.9Å; S1208-L1210 PolarHBondContact OG-N 2.9Å; L1210-R1214 WeakPolarHBondContact O-CB 3.14Å; L1210-R1214 PolarHBondContact O-N 3Å |
| 1211 | Y | 92.1 | Very high | 90.7 | Very high | 59 Ų | 59 | 40.3 Ų | 40.3 | 23% | 0.231 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -74.4 | -30.1 | 174.8 | -83.7 | -96.9 | 0 | 0 | 0 | 112.9 | Y1204 Q1205 S1208 L1209 R1214 A1215 | Y1204-Y1211 AromaticContact CD1-CD1 3.88Å; Y1204-Y1211 HydrophobicContact CD1-CD1 3.88Å; Y1204-Y1211 HydrophobicContact CG-CD1 4.32Å; Q1205-Y1211 HydrophobicContact CB-CD2 4.09Å; Q1205-Y1211 HydrophobicContact CB-CE2 4.41Å; Q1205-Y1211 HydrophobicContact CB-CG 4.25Å; Q1205-Y1211 HydrophobicContact CG-CE2 4.41Å; Q1205-Y1211 WeakPolarHBondContact O-CB 3.48Å; Q1205-Y1211 VanDerWaalsContact OE1-CE2 3.26Å; S1208-Y1211 PolarHBondContact O-N 3Å; L1209-Y1211 VanDerWaalsContact C-N 3.31Å; L1209-Y1211 PolarHBondContact O-N 2.85Å; Y1211-R1214 PolarHBondContact O-N 3.39Å; Y1211-A1215 WeakPolarHBondContact O-CB 3.2Å; Y1211-A1215 PolarHBondContact O-N 3.44Å |
| 1212 | L | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.7 | -51.7 | 169.1 | 175.8 | 58.4 | 0 | 0 | 0 | 111 | V1181 F1182 W1186 S1208 L1209 R1214 A1215 I1216 W1245 F1249 | V1181-L1212 HydrophobicContact CG1-CD2 4.16Å; F1182-L1212 HydrophobicContact CD1-CD2 3.97Å; F1182-L1212 HydrophobicContact CE1-CD2 3.87Å; W1186-L1212 HydrophobicContact CB-CD2 4.45Å; W1186-L1212 HydrophobicContact CD2-CB 4.08Å; W1186-L1212 HydrophobicContact CD2-CD1 3.87Å; W1186-L1212 HydrophobicContact CD2-CG 4.45Å; W1186-L1212 HydrophobicContact CE3-CD1 3.77Å; W1186-L1212 HydrophobicContact CG-CB 4.17Å; W1186-L1212 HydrophobicContact CG-CD1 4.32Å; W1186-L1212 HydrophobicContact CG-CD2 4.46Å; W1186-L1212 HydrophobicContact CZ2-CB 4.33Å; W1186-L1212 HydrophobicContact CZ3-CD1 4.12Å; S1208-L1212 PolarHBondContact O-N 2.83Å; L1209-L1212 HydrophobicContact CD1-CD2 4.11Å; L1209-L1212 WeakPolarHBondContact O-CB 3.19Å; L1209-L1212 PolarHBondContact O-N 3.14Å; L1212-R1214 PolarHBondContact O-N 2.83Å; L1212-A1215 WeakPolarHBondContact O-CB 3.39Å; L1212-A1215 PolarHBondContact O-N 2.89Å; L1212-A1215 VanDerWaalsContact O-N 3.09Å; L1212-I1216 HydrophobicContact CD1-CD1 4.07Å; L1212-I1216 HydrophobicContact CD1-CG1 4.27Å; L1212-I1216 HydrophobicContact CG-CD1 4.05Å; L1212-I1216 VanDerWaalsContact O-CG1 3.29Å; L1212-I1216 WeakPolarHBondContact O-CG1 3.5Å; L1212-I1216 PolarHBondContact O-N 2.92Å; L1212-W1245 HydrophobicContact CD1-CE3 4.17Å; L1212-W1245 HydrophobicContact CD1-CH2 4.43Å; L1212-W1245 HydrophobicContact CD1-CZ3 3.67Å; L1212-F1249 HydrophobicContact CD1-CD2 4.42Å; L1212-F1249 HydrophobicContact CD1-CE2 3.96Å; L1212-F1249 HydrophobicContact CD1-CZ 4.13Å; L1212-F1249 HydrophobicContact CD2-CD1 3.97Å; L1212-F1249 HydrophobicContact CD2-CD2 4.29Å; L1212-F1249 HydrophobicContact CD2-CE1 4.02Å; L1212-F1249 HydrophobicContact CD2-CE2 4.35Å; L1212-F1249 HydrophobicContact CD2-CG 4.11Å; L1212-F1249 HydrophobicContact CD2-CZ 4.21Å |
| 1213 | L | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -53.9 | -42.8 | 174.9 | -69.9 | 171.3 | 0 | 0 | 0 | 111.7 | I1100 L1103 L1174 L1209 I1216 R1217 L1252 I1256 | I1100-L1213 HydrophobicContact CG2-CD2 3.84Å; L1103-L1213 HydrophobicContact CD2-CD1 4.09Å; L1103-L1213 HydrophobicContact CG-CD1 4.47Å; L1174-L1213 HydrophobicContact CD1-CD1 4.36Å; L1174-L1213 HydrophobicContact CD2-CD1 4.3Å; L1209-L1213 WeakPolarHBondContact O-CG 3.43Å; L1209-L1213 PolarHBondContact O-N 2.7Å; L1213-I1216 PolarHBondContact O-N 2.83Å; L1213-R1217 PolarHBondContact O-N 3.19Å; L1213-L1252 HydrophobicContact CD2-CD1 4.07Å; L1213-I1256 HydrophobicContact CD2-CD1 4.29Å; L1213-I1256 HydrophobicContact CD2-CG2 4.33Å |
| 1214 | R | 92.7 | Very high | 91.2 | Very high | 52 Ų | 52 | 41.8 Ų | 41.8 | 20% | 0.196 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.8 | -37.3 | 177.6 | -164.5 | 177.7 | -171.3 | 142.5 | 11.8 | 113.3 | S1104 D1108 L1210 Y1211 L1212 N1218 | S1104-R1214 WeakPolarHBondContact OG-CA 3.29Å; D1108-R1214 IonicContact OD1-CZ 2.66Å; D1108-R1214 IonicContact OD1-NE 3.52Å; D1108-R1214 IonicContact OD1-NH1 2.71Å; D1108-R1214 PolarHBondContact OD1-NH1 2.91Å; D1108-R1214 IonicContact OD1-NH2 2.81Å; D1108-R1214 PolarHBondContact OD1-NH2 2.84Å; D1108-R1214 IonicContact OD2-CZ 2.77Å; D1108-R1214 IonicContact OD2-NE 3.15Å; D1108-R1214 PolarHBondContact OD2-NE 2.84Å; D1108-R1214 IonicContact OD2-NH1 3.98Å; D1108-R1214 IonicContact OD2-NH2 3.14Å; D1108-R1214 PolarHBondContact OD2-NH2 2.99Å; L1210-R1214 WeakPolarHBondContact O-CB 3.14Å; L1210-R1214 PolarHBondContact O-N 3Å; Y1211-R1214 PolarHBondContact O-N 3.39Å; L1212-R1214 PolarHBondContact O-N 2.83Å; R1214-N1218 VanDerWaalsContact O-CB 3.25Å; R1214-N1218 WeakPolarHBondContact O-CB 3.3Å; R1214-N1218 PolarHBondContact O-N 3.01Å; R1214-N1218 PolarHBondContact O-ND2 2.83Å; R1214-N1218 PolarHBondContact O-OD1 3.28Å |
| 1215 | A | 93.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.1 | -46.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | W1186 L1198 Y1204 Y1211 L1212 N1218 K1219 | W1186-A1215 HydrophobicContact CH2-CB 3.54Å; W1186-A1215 HydrophobicContact CZ2-CB 4.13Å; W1186-A1215 HydrophobicContact CZ3-CB 4.33Å; L1198-A1215 HydrophobicContact CD2-CB 3.75Å; Y1204-A1215 HydrophobicContact CD1-CB 3.93Å; Y1204-A1215 HydrophobicContact CE1-CB 3.7Å; Y1211-A1215 WeakPolarHBondContact O-CB 3.2Å; Y1211-A1215 PolarHBondContact O-N 3.44Å; L1212-A1215 WeakPolarHBondContact O-CB 3.39Å; L1212-A1215 PolarHBondContact O-N 2.89Å; L1212-A1215 VanDerWaalsContact O-N 3.09Å; A1215-N1218 PolarHBondContact O-N 3.34Å; A1215-K1219 WeakPolarHBondContact O-CG 3.29Å; A1215-K1219 PolarHBondContact O-N 3.09Å |
| 1216 | I | 94.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.8 | -54.1 | 176.5 | -62.8 | 164.3 | 0 | 0 | 0 | 110.3 | I1097 I1100 L1212 L1213 N1218 K1219 H1220 W1245 L1252 | I1097-I1216 HydrophobicContact CD1-CG2 3.35Å; I1100-I1216 HydrophobicContact CB-CG2 4.45Å; I1100-I1216 HydrophobicContact CG2-CB 3.98Å; I1100-I1216 HydrophobicContact CG2-CD1 4.14Å; I1100-I1216 HydrophobicContact CG2-CG2 3.62Å; L1212-I1216 HydrophobicContact CD1-CD1 4.07Å; L1212-I1216 HydrophobicContact CD1-CG1 4.27Å; L1212-I1216 HydrophobicContact CG-CD1 4.05Å; L1212-I1216 VanDerWaalsContact O-CG1 3.29Å; L1212-I1216 WeakPolarHBondContact O-CG1 3.5Å; L1212-I1216 PolarHBondContact O-N 2.92Å; L1213-I1216 PolarHBondContact O-N 2.83Å; I1216-N1218 PolarHBondContact O-N 2.71Å; I1216-K1219 PolarHBondContact O-N 2.95Å; I1216-H1220 WeakPolarHBondContact O-CB 3.46Å; I1216-H1220 PolarHBondContact O-N 3.11Å; I1216-W1245 HydrophobicContact CD1-CD2 4.21Å; I1216-W1245 HydrophobicContact CD1-CE3 4.18Å; I1216-W1245 HydrophobicContact CD1-CG 4.35Å; I1216-W1245 HydrophobicContact CG1-CD2 3.55Å; I1216-W1245 HydrophobicContact CG1-CE3 3.77Å; I1216-W1245 HydrophobicContact CG1-CG 3.91Å; I1216-W1245 HydrophobicContact CG1-CH2 4.29Å; I1216-W1245 HydrophobicContact CG1-CZ2 4.08Å; I1216-W1245 HydrophobicContact CG1-CZ3 4.13Å; I1216-W1245 HydrophobicContact CG2-CG 4.23Å; I1216-L1252 HydrophobicContact CD1-CD2 3.64Å |
| 1217 | R | 93.9 | Very high | 91.2 | Very high | 20 Ų | 20 | 42.2 Ų | 42.2 | 8% | 0.075 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.4 | -48.6 | 177.1 | -175.9 | -161.8 | 64 | -170.1 | -5.5 | 112.1 | S1104 N1105 D1108 L1213 K1219 H1220 N1221 | S1104-R1217 PolarHBondContact O-NH1 3.24Å; S1104-R1217 VanDerWaalsContact O-NH1 3.13Å; N1105-R1217 WeakPolarHBondContact OD1-CD 3.43Å; N1105-R1217 PolarHBondContact OD1-NH1 3.25Å; D1108-R1217 IonicContact OD2-CZ 2.81Å; D1108-R1217 IonicContact OD2-NH1 2.74Å; D1108-R1217 PolarHBondContact OD2-NH1 2.89Å; D1108-R1217 IonicContact OD2-NH2 2.69Å; D1108-R1217 PolarHBondContact OD2-NH2 2.82Å; L1213-R1217 PolarHBondContact O-N 3.19Å; R1217-K1219 VanDerWaalsContact C-N 3.3Å; R1217-K1219 PolarHBondContact O-N 2.82Å; R1217-H1220 PolarHBondContact O-N 2.9Å; R1217-N1221 VanDerWaalsContact O-CG 3.32Å; R1217-N1221 PolarHBondContact O-N 2.98Å |
| 1218 | N | 92.1 | Very high | 91.3 | Very high | 29 Ų | 29 | 43.4 Ų | 43.4 | 16% | 0.155 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.7 | -37.5 | -176.7 | -68.9 | -7.2 | 0 | 0 | 0 | 111.4 | Y1204 R1214 A1215 I1216 H1222 | Y1204-N1218 PolarHBondContact OH-ND2 3.33Å; R1214-N1218 VanDerWaalsContact O-CB 3.25Å; R1214-N1218 WeakPolarHBondContact O-CB 3.3Å; R1214-N1218 PolarHBondContact O-N 3.01Å; R1214-N1218 PolarHBondContact O-ND2 2.83Å; R1214-N1218 PolarHBondContact O-OD1 3.28Å; A1215-N1218 PolarHBondContact O-N 3.34Å; I1216-N1218 PolarHBondContact O-N 2.71Å; N1218-H1222 WeakPolarHBondContact O-CB 3.32Å; N1218-H1222 PolarHBondContact O-CD2 2.83Å; N1218-H1222 PolarHBondContact O-N 3.46Å |
| 1219 | K | 91.8 | Very high | 91.4 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -75.5 | -36.7 | 175.9 | -66.4 | -66.7 | 174.7 | -173.5 | 0 | 112.7 | N1197 L1198 A1215 I1216 R1217 N1221 H1222 I1223 L1226 M1241 | N1197-K1219 PolarHBondContact O-NZ 3.06Å; N1197-K1219 PolarHBondContact OD1-NZ 3.48Å; L1198-K1219 HydrophobicContact CD2-CD 4.3Å; L1198-K1219 VanDerWaalsContact CD2-CE 3.46Å; L1198-K1219 HydrophobicContact CD2-CG 3.86Å; A1215-K1219 WeakPolarHBondContact O-CG 3.29Å; A1215-K1219 PolarHBondContact O-N 3.09Å; I1216-K1219 PolarHBondContact O-N 2.95Å; R1217-K1219 VanDerWaalsContact C-N 3.3Å; R1217-K1219 PolarHBondContact O-N 2.82Å; K1219-N1221 PolarHBondContact O-N 2.97Å; K1219-H1222 CarbonylContact O-C 3.59Å; K1219-H1222 PolarHBondContact O-N 3.44Å; K1219-I1223 PolarHBondContact O-N 3.44Å; K1219-L1226 HydrophobicContact CD-CD1 4.37Å; K1219-L1226 HydrophobicContact CD-CD2 3.77Å; K1219-M1241 HydrophobicContact CB-CE 3.93Å; K1219-M1241 HydrophobicContact CB-SD 4.23Å |
| 1220 | H | 92.8 | Very high | 91.4 | Very high | 15 Ų | 15 | 46.3 Ų | 46.3 | 7% | 0.069 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.3 | -47.4 | 172.8 | 171.2 | -126.5 | 0 | 0 | 0 | 112.4 | I1097 S1101 I1216 R1217 H1222 Q1238 M1241 | I1097-H1220 HydrophobicContact CD1-CB 4.24Å; I1097-H1220 HydrophobicContact CG1-CB 3.69Å; I1097-H1220 VanDerWaalsContact CG1-CG 3.47Å; S1101-H1220 PolarHBondContact OG-ND1 3.31Å; I1216-H1220 WeakPolarHBondContact O-CB 3.46Å; I1216-H1220 PolarHBondContact O-N 3.11Å; R1217-H1220 PolarHBondContact O-N 2.9Å; H1220-H1222 PolarHBondContact O-N 2.93Å; H1220-Q1238 PolarHBondContact NE2-NE2 2.82Å; H1220-Q1238 VanDerWaalsContact NE2-NE2 3.17Å; H1220-M1241 VanDerWaalsContact CA-SD 3.55Å; H1220-M1241 HydrophobicContact CB-SD 4.12Å; H1220-M1241 PolarHBondContact N-SD 3.28Å |
| 1221 | N | 89.8 | Confident | 91.5 | Very high | 95 Ų | 95 | 46.4 Ų | 46.4 | 51% | 0.508 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.7 | -20.1 | 178.5 | -69.8 | -2.6 | 0 | 0 | 0 | 113.8 | R1217 K1219 | R1217-N1221 VanDerWaalsContact O-CG 3.32Å; R1217-N1221 PolarHBondContact O-N 2.98Å; K1219-N1221 PolarHBondContact O-N 2.97Å |
| 1222 | H | 89 | Confident | 91.4 | Very high | 113 Ų | 113 | 45.2 Ų | 45.2 | 52% | 0.523 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | 12.9 | -172.5 | -68.9 | -53.2 | 0 | 0 | 0 | 114.1 | N1218 K1219 H1220 W1224 S1225 L1226 | N1218-H1222 WeakPolarHBondContact O-CB 3.32Å; N1218-H1222 PolarHBondContact O-CD2 2.83Å; N1218-H1222 PolarHBondContact O-N 3.46Å; K1219-H1222 CarbonylContact O-C 3.59Å; K1219-H1222 PolarHBondContact O-N 3.44Å; H1220-H1222 PolarHBondContact O-N 2.93Å; H1222-W1224 VanDerWaalsContact C-N 3.29Å; H1222-W1224 PolarHBondContact O-N 2.68Å; H1222-S1225 WeakPolarHBondContact O-CA 3.32Å; H1222-S1225 PolarHBondContact O-N 3.32Å; H1222-S1225 PolarHBondContact O-OG 2.85Å; H1222-L1226 PolarHBondContact O-N 3.06Å |
| 1223 | I | 86.9 | Confident | 91.2 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -54.7 | -40.2 | -172.7 | -168.9 | 172.3 | 0 | 0 | 0 | 113.8 | K1219 S1225 L1226 N1237 Q1238 M1241 | K1219-I1223 PolarHBondContact O-N 3.44Å; I1223-S1225 PolarHBondContact O-N 2.66Å; I1223-L1226 HydrophobicContact CG1-CD1 4.36Å; I1223-L1226 PolarHBondContact O-N 3.14Å; I1223-N1237 VanDerWaalsContact CD1-O 3.25Å; I1223-N1237 WeakPolarHBondContact CD1-O 3.5Å; I1223-Q1238 HydrophobicContact CD1-CG 4.45Å; I1223-Q1238 HydrophobicContact CG2-CG 4.07Å; I1223-M1241 HydrophobicContact CB-CE 4.09Å; I1223-M1241 HydrophobicContact CD1-CB 4.11Å; I1223-M1241 HydrophobicContact CD1-CE 3.73Å; I1223-M1241 HydrophobicContact CD1-SD 4.25Å; I1223-M1241 HydrophobicContact CG1-CE 3.77Å |
| 1224 | W | 88.3 | Confident | 91 | Very high | 179 Ų | 179 | 48.1 Ų | 48.1 | 68% | 0.678 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -73.6 | -3.1 | 178.1 | -54.2 | 114 | 0 | 0 | 0 | 114.4 | H1222 | H1222-W1224 VanDerWaalsContact C-N 3.29Å; H1222-W1224 PolarHBondContact O-N 2.68Å |
| 1225 | S | 88.7 | Confident | 90.8 | Very high | 86 Ų | 86 | 47.2 Ų | 47.2 | 60% | 0.601 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -115.4 | 8.2 | 174.6 | 58.8 | 0 | 0 | 0 | 0 | 113.2 | H1222 I1223 | H1222-S1225 WeakPolarHBondContact O-CA 3.32Å; H1222-S1225 PolarHBondContact O-N 3.32Å; H1222-S1225 PolarHBondContact O-OG 2.85Å; I1223-S1225 PolarHBondContact O-N 2.66Å |
| 1226 | L | 87.9 | Confident | 90.5 | Very high | 18 Ų | 18 | 53.1 Ų | 53.1 | 9% | 0.094 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -79.1 | 145.8 | 172.6 | -60.2 | 178.7 | 0 | 0 | 0 | 110.7 | K1219 H1222 I1223 I1230 R1231 Y1234 M1241 | K1219-L1226 HydrophobicContact CD-CD1 4.37Å; K1219-L1226 HydrophobicContact CD-CD2 3.77Å; H1222-L1226 PolarHBondContact O-N 3.06Å; I1223-L1226 HydrophobicContact CG1-CD1 4.36Å; I1223-L1226 PolarHBondContact O-N 3.14Å; L1226-I1230 HydrophobicContact CD1-CG2 4.3Å; L1226-R1231 HydrophobicContact CB-CB 4.48Å; L1226-Y1234 HydrophobicContact CD1-CD2 3.82Å; L1226-Y1234 HydrophobicContact CD1-CE2 3.86Å; L1226-M1241 HydrophobicContact CD1-CE 3.98Å |
| 1227 | P | 91.1 | Very high | 90.3 | Very high | 68 Ų | 68 | 56.2 Ų | 56.2 | 44% | 0.442 | 29% | 0.292 | S | S | . | . | trans | -58.1 | 146.5 | 170.7 | -22.5 | 33.7 | 0 | 0 | 0 | 111.6 | P1229 I1230 R1231 | P1227-P1229 VanDerWaalsContact C-CD 3.49Å; P1227-I1230 HydrophobicContact CB-CG1 4.46Å; P1227-I1230 PolarHBondContact O-N 3.36Å; P1227-R1231 PolarHBondContact O-N 3.47Å | ||
| 1228 | E | 90.7 | Very high | 90.1 | Very high | 96 Ų | 96 | 57.9 Ų | 57.9 | 45% | 0.449 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -55.3 | -39.5 | -172.8 | -161.1 | 67 | 179 | 0 | 0 | 115 | I1230 R1231 A1232 | E1228-I1230 PolarHBondContact O-N 3.09Å; E1228-R1231 PolarHBondContact O-N 3.01Å; E1228-R1231 IonicContact OE1-CZ 2.78Å; E1228-R1231 IonicContact OE1-NE 3.02Å; E1228-R1231 IonicContact OE1-NH2 3.46Å; E1228-R1231 PolarHBondContact OE1-NH2 3.35Å; E1228-R1231 IonicContact OE2-CZ 3.31Å; E1228-R1231 VanDerWaalsContact OE2-CZ 3.23Å; E1228-R1231 IonicContact OE2-NE 3.35Å; E1228-R1231 PolarHBondContact OE2-NE 3.04Å; E1228-R1231 IonicContact OE2-NH2 2.76Å; E1228-R1231 PolarHBondContact OE2-NH2 3.4Å; E1228-A1232 WeakPolarHBondContact O-CB 3.38Å; E1228-A1232 PolarHBondContact O-N 3.47Å |
| 1229 | P | 91.7 | Very high | 90 | Very high | 80 Ų | 80 | 60.5 Ų | 60.5 | 52% | 0.519 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 174.7 | -24.5 | 35.3 | 0 | 0 | 0 | 113.1 | P1227 R1231 A1232 M1233 | P1227-P1229 VanDerWaalsContact C-CD 3.49Å; P1229-R1231 VanDerWaalsContact C-N 3.34Å; P1229-A1232 WeakPolarHBondContact O-CB 3.2Å; P1229-A1232 PolarHBondContact O-N 3.48Å; P1229-M1233 WeakPolarHBondContact O-CG 3.22Å; P1229-M1233 PolarHBondContact O-N 3.48Å |
| 1230 | I | 92.2 | Very high | 89.9 | Confident | 9 Ų | 9 | 61 Ų | 61 | 5% | 0.046 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.1 | -37.6 | 177 | -52.7 | -59.3 | 0 | 0 | 0 | 110.4 | E1193 N1197 L1226 P1227 E1228 A1232 M1233 Y1234 | E1193-I1230 HydrophobicContact CB-CD1 3.96Å; N1197-I1230 HydrophobicContact CB-CD1 4.04Å; N1197-I1230 HydrophobicContact CB-CG1 4.06Å; N1197-I1230 HydrophobicContact CB-CG2 4.37Å; L1226-I1230 HydrophobicContact CD1-CG2 4.3Å; P1227-I1230 HydrophobicContact CB-CG1 4.46Å; P1227-I1230 PolarHBondContact O-N 3.36Å; E1228-I1230 PolarHBondContact O-N 3.09Å; I1230-A1232 VanDerWaalsContact C-N 3.32Å; I1230-M1233 HydrophobicContact CD1-SD 4.21Å; I1230-M1233 PolarHBondContact O-N 2.89Å; I1230-Y1234 HydrophobicContact CG2-CD2 4.03Å; I1230-Y1234 HydrophobicContact CG2-CE2 3.76Å; I1230-Y1234 WeakPolarHBondContact O-CD2 3.46Å; I1230-Y1234 PolarHBondContact O-N 2.81Å |
| 1231 | R | 92.1 | Very high | 89.8 | Confident | 48 Ų | 48 | 60.3 Ų | 60.3 | 18% | 0.181 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.5 | -36.6 | 175.9 | -156.6 | 171.7 | 69.1 | 96.5 | -6.9 | 111.2 | L1226 P1227 E1228 P1229 Y1234 G1235 Y1236 | L1226-R1231 HydrophobicContact CB-CB 4.48Å; P1227-R1231 PolarHBondContact O-N 3.47Å; E1228-R1231 PolarHBondContact O-N 3.01Å; E1228-R1231 IonicContact OE1-CZ 2.78Å; E1228-R1231 IonicContact OE1-NE 3.02Å; E1228-R1231 IonicContact OE1-NH2 3.46Å; E1228-R1231 PolarHBondContact OE1-NH2 3.35Å; E1228-R1231 IonicContact OE2-CZ 3.31Å; E1228-R1231 VanDerWaalsContact OE2-CZ 3.23Å; E1228-R1231 IonicContact OE2-NE 3.35Å; E1228-R1231 PolarHBondContact OE2-NE 3.04Å; E1228-R1231 IonicContact OE2-NH2 2.76Å; E1228-R1231 PolarHBondContact OE2-NH2 3.4Å; P1229-R1231 VanDerWaalsContact C-N 3.34Å; R1231-Y1234 CarbonylContact O-C 3.59Å; R1231-Y1234 PolarHBondContact O-N 3.02Å; R1231-G1235 PolarHBondContact O-N 3.41Å; R1231-Y1236 PolarHBondContact NH1-O 2.85Å; R1231-Y1236 VanDerWaalsContact O-CA 3.26Å; R1231-Y1236 WeakPolarHBondContact O-CA 3.48Å; R1231-Y1236 PolarHBondContact O-N 2.93Å |
| 1232 | A | 90.2 | Very high | 89.9 | Confident | 34 Ų | 34 | 55.9 Ų | 55.9 | 28% | 0.281 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1228 P1229 I1230 Y1234 G1235 Y1236 | E1228-A1232 WeakPolarHBondContact O-CB 3.38Å; E1228-A1232 PolarHBondContact O-N 3.47Å; P1229-A1232 WeakPolarHBondContact O-CB 3.2Å; P1229-A1232 PolarHBondContact O-N 3.48Å; I1230-A1232 VanDerWaalsContact C-N 3.32Å; A1232-Y1234 PolarHBondContact O-N 3.33Å; A1232-G1235 PolarHBondContact O-N 2.91Å; A1232-Y1236 HydrophobicContact CB-CE1 3.8Å; A1232-Y1236 HydrophobicContact CB-CE2 4.06Å; A1232-Y1236 WeakPolarHBondContact CB-OH 3.42Å |
| 1233 | M | 91.5 | Very high | 89.9 | Confident | 61 Ų | 61 | 53.9 Ų | 53.9 | 30% | 0.3 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.3 | -37.5 | 173 | -69.4 | 176.3 | -179.2 | 0 | 0 | 112.4 | E1191 E1193 L1194 P1229 I1230 G1235 | E1191-M1233 HydrophobicContact CB-CE 4.48Å; E1191-M1233 HydrophobicContact CB-SD 4.2Å; E1191-M1233 HydrophobicContact CG-SD 4.42Å; E1193-M1233 HydrophobicContact CB-CE 4.12Å; E1193-M1233 HydrophobicContact CG-CE 4.41Å; E1193-M1233 VanDerWaalsContact OE2-CE 3.25Å; E1193-M1233 WeakPolarHBondContact OE2-CE 3.23Å; L1194-M1233 HydrophobicContact CB-SD 4.24Å; L1194-M1233 HydrophobicContact CD1-CB 4.18Å; L1194-M1233 HydrophobicContact CD1-SD 4.33Å; P1229-M1233 WeakPolarHBondContact O-CG 3.22Å; P1229-M1233 PolarHBondContact O-N 3.48Å; I1230-M1233 HydrophobicContact CD1-SD 4.21Å; I1230-M1233 PolarHBondContact O-N 2.89Å; M1233-G1235 VanDerWaalsContact C-N 3.28Å; M1233-G1235 PolarHBondContact O-N 3.49Å |
| 1234 | Y | 90.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 13.2 | 172.7 | -69.8 | -64.2 | 0 | 0 | 0 | 114.4 | L1194 L1226 I1230 R1231 A1232 Y1236 G1240 M1241 Y1244 W1245 | L1194-Y1234 HydrophobicContact CD1-CD1 4.47Å; L1194-Y1234 HydrophobicContact CD1-CD2 4.36Å; L1194-Y1234 HydrophobicContact CD1-CE1 3.94Å; L1194-Y1234 HydrophobicContact CD1-CE2 3.79Å; L1194-Y1234 WeakPolarHBondContact CD2-OH 3.49Å; L1194-Y1234 HydrophobicContact CG-CE2 4.24Å; L1226-Y1234 HydrophobicContact CD1-CD2 3.82Å; L1226-Y1234 HydrophobicContact CD1-CE2 3.86Å; I1230-Y1234 HydrophobicContact CG2-CD2 4.03Å; I1230-Y1234 HydrophobicContact CG2-CE2 3.76Å; I1230-Y1234 WeakPolarHBondContact O-CD2 3.46Å; I1230-Y1234 PolarHBondContact O-N 2.81Å; R1231-Y1234 CarbonylContact O-C 3.59Å; R1231-Y1234 PolarHBondContact O-N 3.02Å; A1232-Y1234 PolarHBondContact O-N 3.33Å; Y1234-Y1236 PolarHBondContact O-N 3.26Å; Y1234-G1240 CarbonylContact O-C 3.48Å; Y1234-G1240 WeakPolarHBondContact O-CA 3.36Å; Y1234-M1241 HydrophobicContact CD1-CB 4.17Å; Y1234-M1241 HydrophobicContact CD1-CE 3.79Å; Y1234-M1241 HydrophobicContact CD1-CG 3.74Å; Y1234-M1241 HydrophobicContact CD2-CE 3.53Å; Y1234-M1241 HydrophobicContact CE1-CE 4.02Å; Y1234-M1241 HydrophobicContact CE1-CG 4.15Å; Y1234-M1241 HydrophobicContact CE2-CE 3.81Å; Y1234-M1241 HydrophobicContact CG-CB 4.4Å; Y1234-M1241 HydrophobicContact CG-CE 3.53Å; Y1234-M1241 HydrophobicContact CG-CG 4.25Å; Y1234-M1241 PolarHBondContact O-N 3.19Å; Y1234-Y1244 AromaticContact CD1-CD1 3.75Å; Y1234-Y1244 HydrophobicContact CD1-CD1 3.75Å; Y1234-Y1244 HydrophobicContact CD1-CE1 4.23Å; Y1234-Y1244 AromaticContact CD1-CG 3.98Å; Y1234-Y1244 HydrophobicContact CD1-CG 3.98Å; Y1234-Y1244 AromaticContact CE1-CD1 3.67Å; Y1234-Y1244 HydrophobicContact CE1-CD1 3.67Å; Y1234-Y1244 AromaticContact CE1-CE1 3.8Å; Y1234-Y1244 HydrophobicContact CE1-CE1 3.8Å; Y1234-Y1244 HydrophobicContact CE1-CG 4.35Å; Y1234-W1245 AromaticContact CE1-CE2 3.76Å; Y1234-W1245 AromaticContact CE1-CZ2 3.89Å; Y1234-W1245 HydrophobicContact CE1-CZ2 3.89Å; Y1234-W1245 AromaticContact CE1-NE1 3.52Å; Y1234-W1245 WeakPolarHBondContact OH-CZ2 3.5Å |
| 1235 | G | 87.4 | Confident | 90.4 | Very high | 33 Ų | 33 | 46.3 Ų | 46.3 | 34% | 0.34 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 33.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1231 A1232 M1233 N1237 | R1231-G1235 PolarHBondContact O-N 3.41Å; A1232-G1235 PolarHBondContact O-N 2.91Å; M1233-G1235 VanDerWaalsContact C-N 3.28Å; M1233-G1235 PolarHBondContact O-N 3.49Å; G1235-N1237 PolarHBondContact O-N 3.05Å |
| 1236 | Y | 88.2 | Confident | 90.5 | Very high | 124 Ų | 124 | 42.3 Ų | 42.3 | 49% | 0.486 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | -21.4 | 173.8 | -60.9 | -84.2 | 0 | 0 | 0 | 118.6 | R1231 A1232 Y1234 | R1231-Y1236 PolarHBondContact NH1-O 2.85Å; R1231-Y1236 VanDerWaalsContact O-CA 3.26Å; R1231-Y1236 WeakPolarHBondContact O-CA 3.48Å; R1231-Y1236 PolarHBondContact O-N 2.93Å; A1232-Y1236 HydrophobicContact CB-CE1 3.8Å; A1232-Y1236 HydrophobicContact CB-CE2 4.06Å; A1232-Y1236 WeakPolarHBondContact CB-OH 3.42Å; Y1234-Y1236 PolarHBondContact O-N 3.26Å |
| 1237 | N | 89.3 | Confident | 90.4 | Very high | 65 Ų | 65 | 45.3 Ų | 45.3 | 35% | 0.348 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -139.9 | 176.3 | -173 | 73.8 | 33 | 0 | 0 | 0 | 113.1 | I1223 G1235 E1239 G1240 M1241 | I1223-N1237 VanDerWaalsContact CD1-O 3.25Å; I1223-N1237 WeakPolarHBondContact CD1-O 3.5Å; G1235-N1237 PolarHBondContact O-N 3.05Å; N1237-E1239 PolarHBondContact O-N 3.4Å; N1237-E1239 WeakPolarHBondContact OD1-CA 3.33Å; N1237-E1239 WeakPolarHBondContact OD1-CB 3.13Å; N1237-E1239 PolarHBondContact OD1-N 2.63Å; N1237-G1240 PolarHBondContact O-N 3.19Å; N1237-G1240 PolarHBondContact OD1-N 2.76Å; N1237-M1241 PolarHBondContact O-N 2.96Å |
| 1238 | Q | 90.8 | Very high | 90.4 | Very high | 54 Ų | 54 | 46.5 Ų | 46.5 | 25% | 0.252 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.2 | -25.4 | -176.8 | -68.1 | -178.8 | -31.2 | 0 | 0 | 113.8 | N1094 H1220 I1223 A1242 | N1094-Q1238 PolarHBondContact ND2-OE1 3.18Å; H1220-Q1238 PolarHBondContact NE2-NE2 2.82Å; H1220-Q1238 VanDerWaalsContact NE2-NE2 3.17Å; I1223-Q1238 HydrophobicContact CD1-CG 4.45Å; I1223-Q1238 HydrophobicContact CG2-CG 4.07Å; Q1238-A1242 PolarHBondContact O-N 3.22Å; Q1238-A1242 VanDerWaalsContact O-N 3.13Å |
| 1239 | E | 88.8 | Confident | 90.4 | Very high | 85 Ų | 85 | 42 Ų | 42 | 40% | 0.397 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -80.7 | -44.5 | -178.8 | -57.4 | -169.2 | 134.9 | 0 | 0 | 111 | P1093 N1094 N1237 M1241 A1242 I1243 | P1093-E1239 HydrophobicContact CB-CB 3.76Å; P1093-E1239 HydrophobicContact CB-CG 4.16Å; P1093-E1239 HydrophobicContact CG-CB 4.3Å; N1094-E1239 HydrophobicContact CB-CG 4.45Å; N1237-E1239 PolarHBondContact O-N 3.4Å; N1237-E1239 WeakPolarHBondContact OD1-CA 3.33Å; N1237-E1239 WeakPolarHBondContact OD1-CB 3.13Å; N1237-E1239 PolarHBondContact OD1-N 2.63Å; E1239-M1241 VanDerWaalsContact C-N 3.27Å; E1239-M1241 PolarHBondContact O-N 3.13Å; E1239-A1242 WeakPolarHBondContact O-CB 2.97Å; E1239-A1242 PolarHBondContact O-N 2.92Å; E1239-I1243 WeakPolarHBondContact O-CG1 3.35Å; E1239-I1243 PolarHBondContact O-N 3Å |
| 1240 | G | 90 | Very high | 90.1 | Very high | 16 Ų | 16 | 39.1 Ų | 39.1 | 17% | 0.165 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.8 | -41.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y1234 N1237 A1242 I1243 Y1244 | Y1234-G1240 CarbonylContact O-C 3.48Å; Y1234-G1240 WeakPolarHBondContact O-CA 3.36Å; N1237-G1240 PolarHBondContact O-N 3.19Å; N1237-G1240 PolarHBondContact OD1-N 2.76Å; G1240-A1242 PolarHBondContact O-N 3.32Å; G1240-I1243 PolarHBondContact O-N 3.14Å; G1240-Y1244 WeakPolarHBondContact O-CB 3.39Å; G1240-Y1244 PolarHBondContact O-N 3.45Å |
| 1241 | M | 92 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.3 | -42.7 | 176.4 | 179.8 | 172.8 | -77.2 | 0 | 0 | 111.7 | I1097 K1219 H1220 I1223 L1226 Y1234 N1237 E1239 Y1244 W1245 | I1097-M1241 HydrophobicContact CD1-CG 4.42Å; K1219-M1241 HydrophobicContact CB-CE 3.93Å; K1219-M1241 HydrophobicContact CB-SD 4.23Å; H1220-M1241 VanDerWaalsContact CA-SD 3.55Å; H1220-M1241 HydrophobicContact CB-SD 4.12Å; H1220-M1241 PolarHBondContact N-SD 3.28Å; I1223-M1241 HydrophobicContact CB-CE 4.09Å; I1223-M1241 HydrophobicContact CD1-CB 4.11Å; I1223-M1241 HydrophobicContact CD1-CE 3.73Å; I1223-M1241 HydrophobicContact CD1-SD 4.25Å; I1223-M1241 HydrophobicContact CG1-CE 3.77Å; L1226-M1241 HydrophobicContact CD1-CE 3.98Å; Y1234-M1241 HydrophobicContact CD1-CB 4.17Å; Y1234-M1241 HydrophobicContact CD1-CE 3.79Å; Y1234-M1241 HydrophobicContact CD1-CG 3.74Å; Y1234-M1241 HydrophobicContact CD2-CE 3.53Å; Y1234-M1241 HydrophobicContact CE1-CE 4.02Å; Y1234-M1241 HydrophobicContact CE1-CG 4.15Å; Y1234-M1241 HydrophobicContact CE2-CE 3.81Å; Y1234-M1241 HydrophobicContact CG-CB 4.4Å; Y1234-M1241 HydrophobicContact CG-CE 3.53Å; Y1234-M1241 HydrophobicContact CG-CG 4.25Å; Y1234-M1241 PolarHBondContact O-N 3.19Å; N1237-M1241 PolarHBondContact O-N 2.96Å; E1239-M1241 VanDerWaalsContact C-N 3.27Å; E1239-M1241 PolarHBondContact O-N 3.13Å; M1241-Y1244 PolarHBondContact O-N 2.74Å; M1241-W1245 PolarHBondContact O-N 2.81Å; M1241-W1245 VanDerWaalsContact O-N 3.13Å |
| 1242 | A | 91.2 | Very high | 89.7 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 2% | 0.017 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.2 | -46.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P1093 I1097 Q1238 E1239 G1240 W1245 T1246 | P1093-A1242 HydrophobicContact CB-CB 3.84Å; P1093-A1242 WeakPolarHBondContact O-CB 3.49Å; I1097-A1242 HydrophobicContact CB-CB 4Å; Q1238-A1242 PolarHBondContact O-N 3.22Å; Q1238-A1242 VanDerWaalsContact O-N 3.13Å; E1239-A1242 WeakPolarHBondContact O-CB 2.97Å; E1239-A1242 PolarHBondContact O-N 2.92Å; G1240-A1242 PolarHBondContact O-N 3.32Å; A1242-W1245 PolarHBondContact O-N 3.42Å; A1242-T1246 PolarHBondContact O-N 3.21Å; A1242-T1246 PolarHBondContact O-OG1 3.03Å |
| 1243 | I | 89.8 | Confident | 89.8 | Confident | 71 Ų | 71 | 36.8 Ų | 36.8 | 36% | 0.364 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.1 | -45.3 | 177.5 | -66.9 | 163.2 | 0 | 0 | 0 | 110.7 | P1093 E1239 G1240 W1245 T1246 M1247 | P1093-I1243 HydrophobicContact CB-CG1 4.35Å; P1093-I1243 HydrophobicContact CG-CD1 4.23Å; P1093-I1243 HydrophobicContact CG-CG1 4.25Å; E1239-I1243 WeakPolarHBondContact O-CG1 3.35Å; E1239-I1243 PolarHBondContact O-N 3Å; G1240-I1243 PolarHBondContact O-N 3.14Å; I1243-W1245 PolarHBondContact O-N 2.84Å; I1243-T1246 PolarHBondContact O-N 2.98Å; I1243-T1246 PolarHBondContact O-OG1 3.44Å; I1243-M1247 HydrophobicContact CG2-CG 4.23Å; I1243-M1247 HydrophobicContact CG2-SD 3.74Å; I1243-M1247 WeakPolarHBondContact O-CB 3.42Å; I1243-M1247 VanDerWaalsContact O-CG 3.26Å; I1243-M1247 WeakPolarHBondContact O-CG 3.49Å; I1243-M1247 PolarHBondContact O-N 2.99Å |
| 1244 | Y | 92.2 | Very high | 89.5 | Confident | 21 Ų | 21 | 34.4 Ų | 34.4 | 8% | 0.082 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -53.9 | -50.6 | 175.1 | 172.1 | -82.4 | 0 | 0 | 0 | 111.3 | L1190 E1191 L1194 Y1234 G1240 M1241 M1247 R1248 | L1190-Y1244 HydrophobicContact CD2-CE1 3.9Å; L1190-Y1244 WeakPolarHBondContact CD2-OH 3.3Å; E1191-Y1244 WeakPolarHBondContact OE2-CE2 3.42Å; E1191-Y1244 PolarHBondContact OE2-OH 3.32Å; L1194-Y1244 HydrophobicContact CD1-CE1 4.25Å; L1194-Y1244 HydrophobicContact CD1-CE2 4.25Å; L1194-Y1244 WeakPolarHBondContact CD1-OH 3.09Å; Y1234-Y1244 AromaticContact CD1-CD1 3.75Å; Y1234-Y1244 HydrophobicContact CD1-CD1 3.75Å; Y1234-Y1244 HydrophobicContact CD1-CE1 4.23Å; Y1234-Y1244 AromaticContact CD1-CG 3.98Å; Y1234-Y1244 HydrophobicContact CD1-CG 3.98Å; Y1234-Y1244 AromaticContact CE1-CD1 3.67Å; Y1234-Y1244 HydrophobicContact CE1-CD1 3.67Å; Y1234-Y1244 AromaticContact CE1-CE1 3.8Å; Y1234-Y1244 HydrophobicContact CE1-CE1 3.8Å; Y1234-Y1244 HydrophobicContact CE1-CG 4.35Å; G1240-Y1244 WeakPolarHBondContact O-CB 3.39Å; G1240-Y1244 PolarHBondContact O-N 3.45Å; M1241-Y1244 PolarHBondContact O-N 2.74Å; Y1244-M1247 PolarHBondContact O-N 3.38Å; Y1244-R1248 HydrophobicContact CE1-CG 4.15Å; Y1244-R1248 HydrophobicContact CE2-CG 4.42Å; Y1244-R1248 WeakPolarHBondContact O-CG 3.44Å; Y1244-R1248 PolarHBondContact O-N 3.22Å |
| 1245 | W | 93.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68 | -39.4 | -178.4 | -72.6 | 117.5 | 0 | 0 | 0 | 112.9 | L1190 L1198 L1212 I1216 Y1234 M1241 A1242 I1243 R1248 F1249 | L1190-W1245 HydrophobicContact CD1-CH2 4.09Å; L1190-W1245 HydrophobicContact CD1-CZ3 4.09Å; L1190-W1245 HydrophobicContact CD2-CE3 4.44Å; L1190-W1245 HydrophobicContact CD2-CH2 4.25Å; L1190-W1245 HydrophobicContact CD2-CZ3 3.77Å; L1198-W1245 HydrophobicContact CD1-CH2 4.44Å; L1212-W1245 HydrophobicContact CD1-CE3 4.17Å; L1212-W1245 HydrophobicContact CD1-CH2 4.43Å; L1212-W1245 HydrophobicContact CD1-CZ3 3.67Å; I1216-W1245 HydrophobicContact CD1-CD2 4.21Å; I1216-W1245 HydrophobicContact CD1-CE3 4.18Å; I1216-W1245 HydrophobicContact CD1-CG 4.35Å; I1216-W1245 HydrophobicContact CG1-CD2 3.55Å; I1216-W1245 HydrophobicContact CG1-CE3 3.77Å; I1216-W1245 HydrophobicContact CG1-CG 3.91Å; I1216-W1245 HydrophobicContact CG1-CH2 4.29Å; I1216-W1245 HydrophobicContact CG1-CZ2 4.08Å; I1216-W1245 HydrophobicContact CG1-CZ3 4.13Å; I1216-W1245 HydrophobicContact CG2-CG 4.23Å; Y1234-W1245 AromaticContact CE1-CE2 3.76Å; Y1234-W1245 AromaticContact CE1-CZ2 3.89Å; Y1234-W1245 HydrophobicContact CE1-CZ2 3.89Å; Y1234-W1245 AromaticContact CE1-NE1 3.52Å; Y1234-W1245 WeakPolarHBondContact OH-CZ2 3.5Å; M1241-W1245 PolarHBondContact O-N 2.81Å; M1241-W1245 VanDerWaalsContact O-N 3.13Å; A1242-W1245 PolarHBondContact O-N 3.42Å; I1243-W1245 PolarHBondContact O-N 2.84Å; W1245-R1248 PolarHBondContact O-N 3.16Å; W1245-F1249 HydrophobicContact CE3-CD2 4.01Å; W1245-F1249 AromaticContact CE3-CE2 3.74Å; W1245-F1249 HydrophobicContact CE3-CE2 3.74Å; W1245-F1249 HydrophobicContact CZ3-CD2 4.49Å; W1245-F1249 AromaticContact CZ3-CE2 3.8Å; W1245-F1249 HydrophobicContact CZ3-CE2 3.8Å; W1245-F1249 PolarHBondContact O-N 2.81Å |
| 1246 | T | 89.7 | Confident | 89.6 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.3 | -29.3 | 176.9 | 60 | 0 | 0 | 0 | 0 | 112.8 | H1058 V1096 A1242 I1243 F1249 P1250 L1253 | H1058-T1246 WeakPolarHBondContact CD2-CB 3.32Å; H1058-T1246 PolarHBondContact CD2-OG1 2.81Å; H1058-T1246 PolarHBondContact CE1-OG1 2.95Å; H1058-T1246 VanDerWaalsContact CE1-OG1 3.26Å; H1058-T1246 PolarHBondContact ND1-OG1 3.29Å; H1058-T1246 PolarHBondContact NE2-OG1 3.37Å; V1096-T1246 HydrophobicContact CG1-CG2 4.01Å; A1242-T1246 PolarHBondContact O-N 3.21Å; A1242-T1246 PolarHBondContact O-OG1 3.03Å; I1243-T1246 PolarHBondContact O-N 2.98Å; I1243-T1246 PolarHBondContact O-OG1 3.44Å; T1246-F1249 CarbonylContact O-C 3.54Å; T1246-P1250 VanDerWaalsContact O-CA 3.23Å; T1246-P1250 WeakPolarHBondContact O-CA 3.25Å; T1246-L1253 HydrophobicContact CG2-CB 4.49Å; T1246-L1253 HydrophobicContact CG2-CD2 4.35Å |
| 1247 | M | 87 | Confident | 89.8 | Confident | 81 Ų | 81 | 27.5 Ų | 27.5 | 40% | 0.399 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -70.4 | -40.5 | 171.9 | -72.7 | -177.5 | 75 | 0 | 0 | 112.8 | I1243 Y1244 P1347 | I1243-M1247 HydrophobicContact CG2-CG 4.23Å; I1243-M1247 HydrophobicContact CG2-SD 3.74Å; I1243-M1247 WeakPolarHBondContact O-CB 3.42Å; I1243-M1247 VanDerWaalsContact O-CG 3.26Å; I1243-M1247 WeakPolarHBondContact O-CG 3.49Å; I1243-M1247 PolarHBondContact O-N 2.99Å; Y1244-M1247 PolarHBondContact O-N 3.38Å; M1247-P1347 HydrophobicContact CE-CG 4.02Å |
| 1248 | R | 89.6 | Confident | 89.6 | Confident | 93 Ų | 93 | 24.9 Ų | 24.9 | 35% | 0.351 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -72.9 | -26 | 176 | -64.3 | -52.9 | -169.1 | -166.3 | 1.1 | 113.1 | R1189 L1190 E1191 Y1244 W1245 | R1189-R1248 VanDerWaalsContact CD-O 3.22Å; R1189-R1248 WeakPolarHBondContact CD-O 3.33Å; R1189-R1248 PolarHBondContact NH1-O 2.77Å; R1189-R1248 VanDerWaalsContact NH1-O 3.08Å; R1189-R1248 VanDerWaalsContact O-CD 3.24Å; R1189-R1248 WeakPolarHBondContact O-CD 3.34Å; R1189-R1248 PolarHBondContact O-NE 3.15Å; L1190-R1248 HydrophobicContact CD2-CG 4.36Å; E1191-R1248 IonicContact OE1-CZ 2.76Å; E1191-R1248 IonicContact OE1-NE 2.71Å; E1191-R1248 IonicContact OE1-NH2 3.78Å; E1191-R1248 PolarHBondContact OE1-NH2 3.35Å; Y1244-R1248 HydrophobicContact CE1-CG 4.15Å; Y1244-R1248 HydrophobicContact CE2-CG 4.42Å; Y1244-R1248 WeakPolarHBondContact O-CG 3.44Å; Y1244-R1248 PolarHBondContact O-N 3.22Å; W1245-R1248 PolarHBondContact O-N 3.16Å |
| 1249 | F | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -135.2 | 71.5 | 179.6 | -53.4 | -83.6 | 0 | 0 | 0 | 112.8 | V1181 F1182 W1186 R1189 L1190 L1212 W1245 T1246 A1251 L1252 | V1181-F1249 HydrophobicContact CG1-CB 3.87Å; V1181-F1249 HydrophobicContact CG1-CD1 3.95Å; V1181-F1249 HydrophobicContact CG1-CG 4.24Å; F1182-F1249 HydrophobicContact CB-CD1 4.32Å; F1182-F1249 HydrophobicContact CB-CE1 4.1Å; F1182-F1249 HydrophobicContact CD1-CD1 4.36Å; F1182-F1249 HydrophobicContact CD1-CE1 4.25Å; W1186-F1249 HydrophobicContact CB-CE1 3.83Å; W1186-F1249 HydrophobicContact CB-CZ 4.01Å; R1189-F1249 HydrophobicContact CB-CE1 4.23Å; R1189-F1249 HydrophobicContact CB-CZ 4.05Å; R1189-F1249 HydrophobicContact CG-CE1 4.44Å; L1190-F1249 HydrophobicContact CD2-CE2 4.1Å; L1190-F1249 HydrophobicContact CD2-CZ 4.39Å; L1212-F1249 HydrophobicContact CD1-CD2 4.42Å; L1212-F1249 HydrophobicContact CD1-CE2 3.96Å; L1212-F1249 HydrophobicContact CD1-CZ 4.13Å; L1212-F1249 HydrophobicContact CD2-CD1 3.97Å; L1212-F1249 HydrophobicContact CD2-CD2 4.29Å; L1212-F1249 HydrophobicContact CD2-CE1 4.02Å; L1212-F1249 HydrophobicContact CD2-CE2 4.35Å; L1212-F1249 HydrophobicContact CD2-CG 4.11Å; L1212-F1249 HydrophobicContact CD2-CZ 4.21Å; W1245-F1249 HydrophobicContact CE3-CD2 4.01Å; W1245-F1249 AromaticContact CE3-CE2 3.74Å; W1245-F1249 HydrophobicContact CE3-CE2 3.74Å; W1245-F1249 HydrophobicContact CZ3-CD2 4.49Å; W1245-F1249 AromaticContact CZ3-CE2 3.8Å; W1245-F1249 HydrophobicContact CZ3-CE2 3.8Å; W1245-F1249 PolarHBondContact O-N 2.81Å; T1246-F1249 CarbonylContact O-C 3.54Å; F1249-A1251 VanDerWaalsContact C-N 3.27Å; F1249-A1251 PolarHBondContact O-N 3.48Å; F1249-A1251 VanDerWaalsContact O-N 3.16Å; F1249-L1252 HydrophobicContact CB-CB 3.88Å; F1249-L1252 HydrophobicContact CB-CD2 4.42Å; F1249-L1252 WeakPolarHBondContact O-CB 3.12Å; F1249-L1252 PolarHBondContact O-N 3.39Å | ||
| 1250 | P | 85.2 | Confident | 89.7 | Confident | 21 Ų | 21 | 18.5 Ų | 18.5 | 14% | 0.136 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -32.5 | -172.8 | -26.6 | 36 | 0 | 0 | 0 | 114.9 | V1057 H1058 Y1061 T1246 L1252 P1254 | V1057-P1250 HydrophobicContact CB-CB 4.4Å; V1057-P1250 HydrophobicContact CB-CG 4.12Å; V1057-P1250 HydrophobicContact CG1-CB 3.86Å; V1057-P1250 HydrophobicContact CG1-CG 3.69Å; H1058-P1250 HydrophobicContact CB-CB 4.24Å; Y1061-P1250 HydrophobicContact CD2-CB 3.95Å; Y1061-P1250 HydrophobicContact CE2-CB 4.24Å; T1246-P1250 VanDerWaalsContact O-CA 3.23Å; T1246-P1250 WeakPolarHBondContact O-CA 3.25Å; P1250-L1252 VanDerWaalsContact C-N 3.33Å; P1250-P1254 VanDerWaalsContact O-CD 3.28Å; P1250-P1254 WeakPolarHBondContact O-CD 3.28Å |
| 1251 | A | 84.9 | Confident | 89.5 | Confident | 38 Ų | 38 | 17.9 Ų | 17.9 | 31% | 0.314 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -10.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | W1180 F1249 L1255 | W1180-A1251 WeakPolarHBondContact O-CB 3.48Å; F1249-A1251 VanDerWaalsContact C-N 3.27Å; F1249-A1251 PolarHBondContact O-N 3.48Å; F1249-A1251 VanDerWaalsContact O-N 3.16Å; A1251-L1255 VanDerWaalsContact O-CB 3.26Å; A1251-L1255 WeakPolarHBondContact O-CB 3.08Å; A1251-L1255 PolarHBondContact O-N 3.24Å |
| 1252 | L | 91.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.8 | -60.6 | -177 | 177.7 | 62.9 | 0 | 0 | 0 | 111.5 | V1181 L1209 L1213 I1216 F1249 P1250 L1255 I1256 | V1181-L1252 HydrophobicContact CG1-CB 3.89Å; V1181-L1252 HydrophobicContact CG1-CD1 4.05Å; L1209-L1252 HydrophobicContact CD1-CD1 3.69Å; L1213-L1252 HydrophobicContact CD2-CD1 4.07Å; I1216-L1252 HydrophobicContact CD1-CD2 3.64Å; F1249-L1252 HydrophobicContact CB-CB 3.88Å; F1249-L1252 HydrophobicContact CB-CD2 4.42Å; F1249-L1252 WeakPolarHBondContact O-CB 3.12Å; F1249-L1252 PolarHBondContact O-N 3.39Å; P1250-L1252 VanDerWaalsContact C-N 3.33Å; L1252-L1255 PolarHBondContact O-N 3.03Å; L1252-I1256 HydrophobicContact CD1-CG2 4.07Å; L1252-I1256 VanDerWaalsContact O-CG1 3.3Å; L1252-I1256 WeakPolarHBondContact O-CG1 3.27Å; L1252-I1256 PolarHBondContact O-N 2.87Å |
| 1253 | L | 91.4 | Very high | 89 | Confident | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.1 | -45 | -173.8 | 178.4 | 60.3 | 0 | 0 | 0 | 113.1 | L1062 P1088 W1091 V1096 F1099 T1246 L1255 Y1257 | L1062-L1253 HydrophobicContact CD1-CD2 4.07Å; P1088-L1253 HydrophobicContact CB-CD1 4.22Å; P1088-L1253 HydrophobicContact CB-CD2 4.01Å; P1088-L1253 HydrophobicContact CB-CG 4.03Å; W1091-L1253 HydrophobicContact CZ3-CD1 4.2Å; V1096-L1253 HydrophobicContact CB-CD2 4.49Å; V1096-L1253 HydrophobicContact CG1-CD1 4.3Å; V1096-L1253 HydrophobicContact CG1-CD2 3.85Å; V1096-L1253 HydrophobicContact CG2-CD2 3.79Å; F1099-L1253 HydrophobicContact CD1-CD1 4Å; F1099-L1253 HydrophobicContact CE1-CD1 4.23Å; T1246-L1253 HydrophobicContact CG2-CB 4.49Å; T1246-L1253 HydrophobicContact CG2-CD2 4.35Å; L1253-L1255 PolarHBondContact O-N 3.45Å; L1253-Y1257 VanDerWaalsContact O-CB 3.27Å; L1253-Y1257 WeakPolarHBondContact O-CB 3.25Å; L1253-Y1257 PolarHBondContact O-N 3.32Å |
| 1254 | P | 84.7 | Confident | 88.9 | Confident | 11 Ų | 11 | 18.4 Ų | 18.4 | 7% | 0.071 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -53.8 | -50.6 | 170.7 | -24.3 | 30.8 | 0 | 0 | 0 | 112.9 | L1062 P1250 Y1257 G1258 W1293 | L1062-P1254 HydrophobicContact CD2-CB 4.2Å; L1062-P1254 HydrophobicContact CD2-CG 3.76Å; L1062-P1254 HydrophobicContact CG-CG 4.05Å; P1250-P1254 VanDerWaalsContact O-CD 3.28Å; P1250-P1254 WeakPolarHBondContact O-CD 3.28Å; P1254-Y1257 PolarHBondContact O-N 3.12Å; P1254-G1258 PolarHBondContact O-N 3.3Å; P1254-W1293 HydrophobicContact CB-CZ3 4.28Å |
| 1255 | L | 88.3 | Confident | 88.6 | Confident | 4 Ų | 4 | 18.2 Ų | 18.2 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.2 | -54.6 | -177.9 | 178.3 | 65 | 0 | 0 | 0 | 111.5 | Y1177 V1181 L1209 A1251 L1252 L1253 Y1257 G1258 L1259 | Y1177-L1255 HydrophobicContact CD2-CD1 4.09Å; Y1177-L1255 HydrophobicContact CG-CD1 4.17Å; V1181-L1255 HydrophobicContact CG2-CD2 3.56Å; L1209-L1255 HydrophobicContact CD2-CD2 4.08Å; A1251-L1255 VanDerWaalsContact O-CB 3.26Å; A1251-L1255 WeakPolarHBondContact O-CB 3.08Å; A1251-L1255 PolarHBondContact O-N 3.24Å; L1252-L1255 PolarHBondContact O-N 3.03Å; L1253-L1255 PolarHBondContact O-N 3.45Å; L1255-Y1257 VanDerWaalsContact C-N 3.32Å; L1255-Y1257 PolarHBondContact O-N 2.74Å; L1255-G1258 PolarHBondContact O-N 3.49Å; L1255-L1259 HydrophobicContact CD1-CD1 3.96Å; L1255-L1259 HydrophobicContact CD1-CG 4.19Å; L1255-L1259 HydrophobicContact CG-CD1 4.11Å; L1255-L1259 WeakPolarHBondContact O-CG 3.36Å; L1255-L1259 PolarHBondContact O-N 3.42Å |
| 1256 | I | 92.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -69.2 | -30.2 | -175.4 | 63.5 | 150 | 0 | 0 | 0 | 112.6 | F1099 I1100 L1103 L1174 L1213 L1252 C1260 | F1099-I1256 HydrophobicContact CD1-CD1 3.79Å; F1099-I1256 HydrophobicContact CE1-CD1 3.5Å; F1099-I1256 VanDerWaalsContact CE1-CD1 3.5Å; F1099-I1256 HydrophobicContact CE1-CG1 3.82Å; F1099-I1256 HydrophobicContact CZ-CD1 4.45Å; I1100-I1256 HydrophobicContact CG1-CD1 3.74Å; L1103-I1256 HydrophobicContact CD2-CB 3.73Å; L1103-I1256 HydrophobicContact CD2-CD1 3.96Å; L1103-I1256 HydrophobicContact CD2-CG1 4.46Å; L1103-I1256 HydrophobicContact CD2-CG2 3.96Å; L1174-I1256 HydrophobicContact CD2-CG2 3.97Å; L1213-I1256 HydrophobicContact CD2-CD1 4.29Å; L1213-I1256 HydrophobicContact CD2-CG2 4.33Å; L1252-I1256 HydrophobicContact CD1-CG2 4.07Å; L1252-I1256 VanDerWaalsContact O-CG1 3.3Å; L1252-I1256 WeakPolarHBondContact O-CG1 3.27Å; L1252-I1256 PolarHBondContact O-N 2.87Å; I1256-C1260 VanDerWaalsContact O-CB 3.31Å; I1256-C1260 WeakPolarHBondContact O-CB 3.27Å; I1256-C1260 PolarHBondContact O-N 3.28Å; I1256-C1260 PolarHBondContact O-SG 3.04Å |
| 1257 | Y | 91.7 | Very high | 87.7 | Confident | 9 Ų | 9 | 22.2 Ų | 22.2 | 4% | 0.035 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.6 | -49.5 | 171 | 176.4 | -98.1 | 0 | 0 | 0 | 111.5 | Y1087 P1088 W1091 L1253 P1254 L1255 L1259 C1260 N1261 L1274 | Y1087-Y1257 HydrophobicContact CD2-CD1 4.38Å; Y1087-Y1257 AromaticContact CD2-CE1 3.75Å; Y1087-Y1257 HydrophobicContact CD2-CE1 3.75Å; Y1087-Y1257 HydrophobicContact CE2-CD1 4.2Å; Y1087-Y1257 AromaticContact CE2-CE1 3.95Å; Y1087-Y1257 HydrophobicContact CE2-CE1 3.95Å; P1088-Y1257 HydrophobicContact CG-CD1 3.89Å; P1088-Y1257 HydrophobicContact CG-CD2 3.36Å; P1088-Y1257 HydrophobicContact CG-CE1 4.37Å; P1088-Y1257 HydrophobicContact CG-CE2 3.88Å; P1088-Y1257 HydrophobicContact CG-CG 3.36Å; W1091-Y1257 AromaticContact CH2-CD2 3.98Å; W1091-Y1257 HydrophobicContact CH2-CD2 3.98Å; W1091-Y1257 HydrophobicContact CH2-CE2 4.43Å; W1091-Y1257 HydrophobicContact CZ2-CD2 4.01Å; W1091-Y1257 HydrophobicContact CZ2-CE2 4.02Å; L1253-Y1257 VanDerWaalsContact O-CB 3.27Å; L1253-Y1257 WeakPolarHBondContact O-CB 3.25Å; L1253-Y1257 PolarHBondContact O-N 3.32Å; P1254-Y1257 PolarHBondContact O-N 3.12Å; L1255-Y1257 VanDerWaalsContact C-N 3.32Å; L1255-Y1257 PolarHBondContact O-N 2.74Å; Y1257-L1259 VanDerWaalsContact C-N 3.34Å; Y1257-L1259 PolarHBondContact O-N 2.85Å; Y1257-C1260 PolarHBondContact O-N 2.87Å; Y1257-N1261 WeakPolarHBondContact O-CB 3.34Å; Y1257-N1261 PolarHBondContact O-N 3.44Å; Y1257-L1274 HydrophobicContact CD2-CD2 4.12Å; Y1257-L1274 HydrophobicContact CE2-CD2 3.81Å |
| 1258 | G | 86.2 | Confident | 87.6 | Confident | 11 Ų | 11 | 25.2 Ų | 25.2 | 11% | 0.113 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.9 | -43.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P1254 L1255 N1261 K1262 | P1254-G1258 PolarHBondContact O-N 3.3Å; L1255-G1258 PolarHBondContact O-N 3.49Å; G1258-N1261 PolarHBondContact O-N 2.9Å; G1258-K1262 PolarHBondContact O-N 3.48Å; G1258-K1262 VanDerWaalsContact O-N 3.12Å |
| 1259 | L | 89.5 | Confident | 87.3 | Confident | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69 | -38.9 | 176.9 | -64 | 179.7 | 0 | 0 | 0 | 112.7 | M1170 D1173 L1174 Y1177 L1255 Y1257 K1262 H1263 W1296 | M1170-L1259 HydrophobicContact CE-CB 3.45Å; M1170-L1259 VanDerWaalsContact CE-CB 3.45Å; M1170-L1259 HydrophobicContact CE-CD1 4.18Å; M1170-L1259 HydrophobicContact CE-CG 4.49Å; M1170-L1259 HydrophobicContact SD-CB 3.63Å; D1173-L1259 HydrophobicContact CB-CD1 3.82Å; D1173-L1259 HydrophobicContact CB-CD2 3.63Å; D1173-L1259 HydrophobicContact CB-CG 4.33Å; L1174-L1259 HydrophobicContact CD2-CD1 4.1Å; L1174-L1259 HydrophobicContact CG-CD1 4.3Å; Y1177-L1259 HydrophobicContact CD2-CD1 4.35Å; Y1177-L1259 HydrophobicContact CD2-CD2 4.29Å; Y1177-L1259 HydrophobicContact CE2-CD2 4.26Å; L1255-L1259 HydrophobicContact CD1-CD1 3.96Å; L1255-L1259 HydrophobicContact CD1-CG 4.19Å; L1255-L1259 HydrophobicContact CG-CD1 4.11Å; L1255-L1259 WeakPolarHBondContact O-CG 3.36Å; L1255-L1259 PolarHBondContact O-N 3.42Å; Y1257-L1259 VanDerWaalsContact C-N 3.34Å; Y1257-L1259 PolarHBondContact O-N 2.85Å; L1259-K1262 WeakPolarHBondContact O-CB 3.36Å; L1259-K1262 PolarHBondContact O-N 3.2Å; L1259-H1263 PolarHBondContact O-CD2 3.47Å; L1259-H1263 PolarHBondContact O-N 2.87Å; L1259-W1296 HydrophobicContact CD2-CZ2 4.37Å |
| 1260 | C | 91.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.3 | -39.7 | 173.4 | -69 | 0 | 0 | 0 | 0 | 111.9 | F1099 I1256 Y1257 K1262 H1263 F1264 T1265 L1274 | F1099-C1260 HydrophobicContact CE2-CB 4.11Å; F1099-C1260 HydrophobicContact CZ-CB 3.84Å; I1256-C1260 VanDerWaalsContact O-CB 3.31Å; I1256-C1260 WeakPolarHBondContact O-CB 3.27Å; I1256-C1260 PolarHBondContact O-N 3.28Å; I1256-C1260 PolarHBondContact O-SG 3.04Å; Y1257-C1260 PolarHBondContact O-N 2.87Å; C1260-K1262 PolarHBondContact O-N 2.94Å; C1260-H1263 PolarHBondContact O-N 2.94Å; C1260-F1264 HydrophobicContact CB-CD2 4.3Å; C1260-F1264 WeakPolarHBondContact O-CA 3.33Å; C1260-F1264 PolarHBondContact O-N 3.07Å; C1260-T1265 PolarHBondContact O-N 3.38Å; C1260-L1274 HydrophobicContact CB-CD1 4.17Å; C1260-L1274 HydrophobicContact CB-CD2 4.25Å; C1260-L1274 VanDerWaalsContact O-CD1 3.3Å; C1260-L1274 WeakPolarHBondContact O-CD1 3.39Å |
| 1261 | N | 86.3 | Confident | 87.3 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.4 | -12.9 | 176.7 | -160 | 57.2 | 0 | 0 | 0 | 113.4 | Y1257 G1258 T1265 L1274 P1275 | Y1257-N1261 WeakPolarHBondContact O-CB 3.34Å; Y1257-N1261 PolarHBondContact O-N 3.44Å; G1258-N1261 PolarHBondContact O-N 2.9Å; N1261-T1265 VanDerWaalsContact C-OG1 3.24Å; N1261-T1265 VanDerWaalsContact CA-OG1 3.31Å; N1261-T1265 WeakPolarHBondContact CA-OG1 3.3Å; N1261-T1265 PolarHBondContact O-OG1 3.5Å; N1261-T1265 PolarHBondContact OD1-OG1 2.74Å; N1261-L1274 HydrophobicContact CB-CD2 3.89Å; N1261-P1275 WeakPolarHBondContact OD1-CD 3.33Å |
| 1262 | K | 84.7 | Confident | 87.6 | Confident | 59 Ų | 59 | 30 Ų | 30 | 26% | 0.257 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -86.5 | -46.9 | 169.7 | -175.6 | -168.6 | 172.3 | 85.9 | 0 | 111.9 | G1258 L1259 C1260 W1296 | G1258-K1262 PolarHBondContact O-N 3.48Å; G1258-K1262 VanDerWaalsContact O-N 3.12Å; L1259-K1262 WeakPolarHBondContact O-CB 3.36Å; L1259-K1262 PolarHBondContact O-N 3.2Å; C1260-K1262 PolarHBondContact O-N 2.94Å; K1262-W1296 HydrophobicContact CD-CH2 3.92Å; K1262-W1296 HydrophobicContact CD-CZ2 3.81Å; K1262-W1296 HydrophobicContact CD-CZ3 4.42Å; K1262-W1296 VanDerWaalsContact CE-CZ3 3.43Å |
| 1263 | H | 87.1 | Confident | 87.6 | Confident | 16 Ų | 16 | 30.2 Ų | 30.2 | 7% | 0.074 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -102.5 | -25.4 | -167.3 | -65.5 | -56 | 0 | 0 | 0 | 115.7 | H1166 Q1169 M1170 D1173 L1259 C1260 | H1166-H1263 HydrophobicContact CB-CB 4.35Å; H1166-H1263 WeakPolarHBondContact CB-O 3.5Å; Q1169-H1263 WeakPolarHBondContact CB-CE1 3.44Å; M1170-H1263 HydrophobicContact CB-CB 4.48Å; M1170-H1263 HydrophobicContact SD-CB 4.48Å; D1173-H1263 IonicContact OD2-CD2 2.7Å; D1173-H1263 IonicContact OD2-CE1 3.45Å; D1173-H1263 IonicContact OD2-NE2 3.32Å; D1173-H1263 PolarHBondContact OD2-NE2 2.9Å; L1259-H1263 PolarHBondContact O-CD2 3.47Å; L1259-H1263 PolarHBondContact O-N 2.87Å; C1260-H1263 PolarHBondContact O-N 2.94Å |
| 1264 | F | 89.2 | Confident | 87.6 | Confident | 10 Ų | 10 | 30.3 Ų | 30.3 | 4% | 0.044 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 5.4 | -169.9 | -58.2 | -48.5 | 0 | 0 | 0 | 115 | L1103 V1106 M1107 H1166 Q1167 M1170 C1260 G1266 T1267 F1270 L1274 | L1103-F1264 HydrophobicContact CD1-CE2 3.95Å; V1106-F1264 HydrophobicContact CG1-CE1 4.2Å; V1106-F1264 HydrophobicContact CG1-CE2 4.27Å; V1106-F1264 HydrophobicContact CG1-CZ 3.87Å; M1107-F1264 HydrophobicContact SD-CZ 4.19Å; H1166-F1264 HydrophobicContact CB-CD1 4.44Å; H1166-F1264 HydrophobicContact CB-CE1 4.17Å; Q1167-F1264 HydrophobicContact CG-CE1 4.02Å; Q1167-F1264 HydrophobicContact CG-CZ 4.11Å; M1170-F1264 HydrophobicContact CB-CE2 4.11Å; M1170-F1264 HydrophobicContact CB-CZ 3.88Å; M1170-F1264 HydrophobicContact CG-CE2 3.68Å; M1170-F1264 HydrophobicContact CG-CZ 3.94Å; M1170-F1264 HydrophobicContact SD-CD2 4.33Å; M1170-F1264 HydrophobicContact SD-CE2 3.76Å; M1170-F1264 HydrophobicContact SD-CZ 4.48Å; C1260-F1264 HydrophobicContact CB-CD2 4.3Å; C1260-F1264 WeakPolarHBondContact O-CA 3.33Å; C1260-F1264 PolarHBondContact O-N 3.07Å; F1264-G1266 PolarHBondContact O-N 3.32Å; F1264-T1267 HydrophobicContact CB-CG2 4.39Å; F1264-T1267 WeakPolarHBondContact O-CB 3.41Å; F1264-T1267 WeakPolarHBondContact O-CG2 3.49Å; F1264-T1267 PolarHBondContact O-N 2.78Å; F1264-T1267 PolarHBondContact O-OG1 2.85Å; F1264-F1270 HydrophobicContact CB-CD2 3.52Å; F1264-F1270 HydrophobicContact CB-CE2 3.81Å; F1264-F1270 HydrophobicContact CB-CG 4.19Å; F1264-F1270 HydrophobicContact CD2-CD2 4.15Å; F1264-F1270 AromaticContact CD2-CE2 3.52Å; F1264-F1270 HydrophobicContact CD2-CE2 3.52Å; F1264-F1270 AromaticContact CD2-CZ 3.91Å; F1264-F1270 HydrophobicContact CD2-CZ 3.91Å; F1264-F1270 HydrophobicContact CE2-CE2 4.19Å; F1264-F1270 HydrophobicContact CE2-CZ 4.43Å; F1264-F1270 AromaticContact CG-CD2 3.97Å; F1264-F1270 HydrophobicContact CG-CD2 3.97Å; F1264-F1270 AromaticContact CG-CE2 3.71Å; F1264-F1270 HydrophobicContact CG-CE2 3.71Å; F1264-L1274 HydrophobicContact CB-CD1 4.25Å |
| 1265 | T | 84.4 | Confident | 87.6 | Confident | 17 Ų | 17 | 29.9 Ų | 29.9 | 10% | 0.104 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 129.9 | 176.4 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | C1260 N1261 T1267 P1275 K1277 C1280 | C1260-T1265 PolarHBondContact O-N 3.38Å; N1261-T1265 VanDerWaalsContact C-OG1 3.24Å; N1261-T1265 VanDerWaalsContact CA-OG1 3.31Å; N1261-T1265 WeakPolarHBondContact CA-OG1 3.3Å; N1261-T1265 PolarHBondContact O-OG1 3.5Å; N1261-T1265 PolarHBondContact OD1-OG1 2.74Å; T1265-T1267 VanDerWaalsContact C-N 3.31Å; T1265-T1267 PolarHBondContact O-N 3.25Å; T1265-P1275 WeakPolarHBondContact CG2-O 3.35Å; T1265-K1277 HydrophobicContact CG2-CG 3.97Å; T1265-K1277 WeakPolarHBondContact O-CE 3.29Å; T1265-C1280 HydrophobicContact CG2-CB 3.79Å |
| 1266 | G | 79.2 | Confident | 87.4 | Confident | 50 Ų | 50 | 32 Ų | 32 | 52% | 0.515 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116 | F1264 | F1264-G1266 PolarHBondContact O-N 3.32Š|
| 1267 | T | 85.4 | Confident | 86.6 | Confident | 36 Ų | 36 | 39.2 Ų | 39.2 | 22% | 0.221 | 22% | 0.219 | C | C | . | . | trans | -80.9 | 151.1 | 165.9 | 65 | 0 | 0 | 0 | 0 | 111 | F1264 T1265 F1270 S1271 | F1264-T1267 HydrophobicContact CB-CG2 4.39Å; F1264-T1267 WeakPolarHBondContact O-CB 3.41Å; F1264-T1267 WeakPolarHBondContact O-CG2 3.49Å; F1264-T1267 PolarHBondContact O-N 2.78Å; F1264-T1267 PolarHBondContact O-OG1 2.85Å; T1265-T1267 VanDerWaalsContact C-N 3.31Å; T1265-T1267 PolarHBondContact O-N 3.25Å; T1267-F1270 PolarHBondContact O-N 3.42Å; T1267-F1270 WeakPolarHBondContact OG1-CD2 3.5Å; T1267-S1271 PolarHBondContact O-N 3.49Å | ||
| 1268 | I | 83.8 | Confident | 85.8 | Confident | 144 Ų | 144 | 44.2 Ų | 44.2 | 74% | 0.738 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -66.5 | -41.9 | -174.4 | -67.9 | 172.4 | 0 | 0 | 0 | 111.9 | F1270 S1271 | I1268-F1270 PolarHBondContact O-N 3.06Å; I1268-F1270 VanDerWaalsContact O-N 3.13Å; I1268-S1271 PolarHBondContact O-N 2.79Å; I1268-S1271 PolarHBondContact O-OG 2.8Å |
| 1269 | N | 84.5 | Confident | 85 | Confident | 88 Ų | 88 | 45.5 Ų | 45.5 | 47% | 0.471 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -58 | -28.7 | 178.7 | -63.3 | 62.2 | 0 | 0 | 0 | 112.9 | E1102 V1106 | E1102-N1269 HydrophobicContact CG-CB 4.38Å; E1102-N1269 PolarHBondContact OE1-ND2 3.48Å; V1106-N1269 HydrophobicContact CG2-CB 4.48Å |
| 1270 | F | 90.9 | Very high | 83.6 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.009 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -106.8 | 2.9 | -175.1 | -70 | -77.4 | 0 | 0 | 0 | 115 | F1099 L1103 V1106 F1264 T1267 I1268 E1272 F1273 L1274 | F1099-F1270 HydrophobicContact CD2-CD1 4.08Å; F1099-F1270 AromaticContact CD2-CE1 3.99Å; F1099-F1270 HydrophobicContact CD2-CE1 3.99Å; F1099-F1270 AromaticContact CE2-CD1 3.74Å; F1099-F1270 HydrophobicContact CE2-CD1 3.74Å; F1099-F1270 AromaticContact CE2-CE1 3.64Å; F1099-F1270 HydrophobicContact CE2-CE1 3.64Å; L1103-F1270 HydrophobicContact CB-CE1 4.35Å; L1103-F1270 HydrophobicContact CB-CZ 4.21Å; L1103-F1270 HydrophobicContact CD1-CZ 4.31Å; V1106-F1270 HydrophobicContact CB-CE2 4.42Å; V1106-F1270 HydrophobicContact CG1-CE2 4.38Å; V1106-F1270 HydrophobicContact CG2-CE2 3.91Å; V1106-F1270 HydrophobicContact CG2-CZ 4.23Å; F1264-F1270 HydrophobicContact CB-CD2 3.52Å; F1264-F1270 HydrophobicContact CB-CE2 3.81Å; F1264-F1270 HydrophobicContact CB-CG 4.19Å; F1264-F1270 HydrophobicContact CD2-CD2 4.15Å; F1264-F1270 AromaticContact CD2-CE2 3.52Å; F1264-F1270 HydrophobicContact CD2-CE2 3.52Å; F1264-F1270 AromaticContact CD2-CZ 3.91Å; F1264-F1270 HydrophobicContact CD2-CZ 3.91Å; F1264-F1270 HydrophobicContact CE2-CE2 4.19Å; F1264-F1270 HydrophobicContact CE2-CZ 4.43Å; F1264-F1270 AromaticContact CG-CD2 3.97Å; F1264-F1270 HydrophobicContact CG-CD2 3.97Å; F1264-F1270 AromaticContact CG-CE2 3.71Å; F1264-F1270 HydrophobicContact CG-CE2 3.71Å; T1267-F1270 PolarHBondContact O-N 3.42Å; T1267-F1270 WeakPolarHBondContact OG1-CD2 3.5Å; I1268-F1270 PolarHBondContact O-N 3.06Å; I1268-F1270 VanDerWaalsContact O-N 3.13Å; F1270-E1272 PolarHBondContact O-N 2.84Å; F1270-E1272 VanDerWaalsContact O-N 3.13Å; F1270-F1273 HydrophobicContact CD1-CD2 4.19Å; F1270-F1273 PolarHBondContact O-N 2.83Å; F1270-L1274 HydrophobicContact CB-CD1 3.7Å; F1270-L1274 HydrophobicContact CB-CG 4Å; F1270-L1274 HydrophobicContact CG-CD1 4.22Å; F1270-L1274 PolarHBondContact O-N 3.48Å |
| 1271 | S | 86.4 | Confident | 81.8 | Confident | 79 Ų | 79 | 50 Ų | 50 | 55% | 0.552 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -11.4 | -175.9 | 67 | 0 | 0 | 0 | 0 | 115.3 | T1267 I1268 | T1267-S1271 PolarHBondContact O-N 3.49Å; I1268-S1271 PolarHBondContact O-N 2.79Å; I1268-S1271 PolarHBondContact O-OG 2.8Å |
| 1272 | E | 90.5 | Very high | 79.8 | Confident | 84 Ų | 84 | 54.2 Ų | 54.2 | 39% | 0.393 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -24.3 | 168.7 | -164.4 | -170.4 | 140.6 | 0 | 0 | 112.2 | K1095 R1098 F1270 | K1095-E1272 WeakPolarHBondContact CE-O 3.19Å; K1095-E1272 PolarHBondContact NZ-O 3.11Å; R1098-E1272 IonicContact CZ-OE1 3.76Å; R1098-E1272 IonicContact CZ-OE2 2.65Å; R1098-E1272 IonicContact NH1-OE1 3.11Å; R1098-E1272 PolarHBondContact NH1-OE1 2.95Å; R1098-E1272 IonicContact NH1-OE2 3.91Å; R1098-E1272 PolarHBondContact NH1-OE2 3.34Å; R1098-E1272 IonicContact NH2-OE1 3.23Å; R1098-E1272 IonicContact NH2-OE2 3.56Å; R1098-E1272 PolarHBondContact NH2-OE2 3.3Å; F1270-E1272 PolarHBondContact O-N 2.84Å; F1270-E1272 VanDerWaalsContact O-N 3.13Å |
| 1273 | F | 92.1 | Very high | 77.8 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | -36.3 | -169 | -53.5 | -75.3 | 0 | 0 | 0 | 113 | W1091 K1095 R1098 F1099 F1270 | W1091-F1273 HydrophobicContact CH2-CB 3.91Å; W1091-F1273 AromaticContact CH2-CD1 3.99Å; W1091-F1273 HydrophobicContact CH2-CD1 3.99Å; W1091-F1273 HydrophobicContact CH2-CG 4.38Å; W1091-F1273 HydrophobicContact CZ2-CB 3.98Å; W1091-F1273 HydrophobicContact CZ2-CD1 4.32Å; W1091-F1273 WeakPolarHBondContact CZ2-O 3.38Å; W1091-F1273 HydrophobicContact CZ3-CD1 4.18Å; K1095-F1273 HydrophobicContact CD-CD1 4.45Å; K1095-F1273 HydrophobicContact CG-CD1 3.94Å; K1095-F1273 HydrophobicContact CG-CE1 3.72Å; R1098-F1273 HydrophobicContact CB-CE1 4.41Å; R1098-F1273 HydrophobicContact CB-CZ 4.18Å; F1099-F1273 HydrophobicContact CB-CD1 3.66Å; F1099-F1273 HydrophobicContact CB-CE1 3.68Å; F1099-F1273 HydrophobicContact CB-CG 4.24Å; F1099-F1273 HydrophobicContact CB-CZ 4.27Å; F1099-F1273 HydrophobicContact CD2-CB 3.73Å; F1099-F1273 AromaticContact CD2-CD1 3.93Å; F1099-F1273 HydrophobicContact CD2-CD1 3.93Å; F1099-F1273 HydrophobicContact CD2-CD2 4.03Å; F1099-F1273 AromaticContact CD2-CG 3.63Å; F1099-F1273 HydrophobicContact CD2-CG 3.63Å; F1099-F1273 HydrophobicContact CE2-CB 4.13Å; F1099-F1273 HydrophobicContact CE2-CG 4.47Å; F1099-F1273 HydrophobicContact CG-CD1 4.16Å; F1099-F1273 HydrophobicContact CG-CG 4.33Å; F1270-F1273 HydrophobicContact CD1-CD2 4.19Å; F1270-F1273 PolarHBondContact O-N 2.83Å |
| 1274 | L | 90.6 | Very high | 75.2 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.016 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -107.7 | 146.7 | -176.8 | -59.2 | 178.8 | 0 | 0 | 0 | 111.3 | Y1257 C1260 N1261 F1264 F1270 | Y1257-L1274 HydrophobicContact CD2-CD2 4.12Å; Y1257-L1274 HydrophobicContact CE2-CD2 3.81Å; C1260-L1274 HydrophobicContact CB-CD1 4.17Å; C1260-L1274 HydrophobicContact CB-CD2 4.25Å; C1260-L1274 VanDerWaalsContact O-CD1 3.3Å; C1260-L1274 WeakPolarHBondContact O-CD1 3.39Å; N1261-L1274 HydrophobicContact CB-CD2 3.89Å; F1264-L1274 HydrophobicContact CB-CD1 4.25Å; F1270-L1274 HydrophobicContact CB-CD1 3.7Å; F1270-L1274 HydrophobicContact CB-CG 4Å; F1270-L1274 HydrophobicContact CG-CD1 4.22Å; F1270-L1274 PolarHBondContact O-N 3.48Å |
| 1275 | P | 85.7 | Confident | 72.5 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.013 | 34% | 0.335 | C | S | . | . | trans | -63.1 | 152.1 | 174.4 | 26.4 | -34.6 | 0 | 0 | 0 | 112.3 | E1083 Y1086 N1261 T1265 C1280 | E1083-P1275 HydrophobicContact CG-CB 4.1Å; E1083-P1275 HydrophobicContact CG-CG 4.19Å; Y1086-P1275 HydrophobicContact CD2-CB 4.13Å; Y1086-P1275 HydrophobicContact CG-CB 4.24Å; N1261-P1275 WeakPolarHBondContact OD1-CD 3.33Å; T1265-P1275 WeakPolarHBondContact CG2-O 3.35Å; P1275-C1280 HydrophobicContact CB-CB 4.31Å; P1275-C1280 HydrophobicContact CG-CB 3.91Å | ||
| 1276 | P | 83.2 | Confident | 70 | Confident | 50 Ų | 50 | 57.7 Ų | 57.7 | 33% | 0.325 | 34% | 0.338 | S | S | . | . | trans | -59.2 | 145.5 | 172.3 | -24.6 | 34.4 | 0 | 0 | 0 | 113 | S1278 I1279 C1280 | P1276-S1278 PolarHBondContact O-N 2.91Å; P1276-I1279 HydrophobicContact CB-CD1 4.36Å; P1276-I1279 HydrophobicContact CG-CD1 4.08Å; P1276-I1279 PolarHBondContact O-N 3.32Å; P1276-C1280 WeakPolarHBondContact O-CB 3.43Å; P1276-C1280 PolarHBondContact O-N 3.33Å | ||
| 1277 | K | 76.9 | Confident | 67.8 | Low | 151 Ų | 151 | 57.2 Ų | 57.2 | 66% | 0.657 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -23.3 | 177.2 | -79.7 | -167.4 | -179.3 | -164.5 | 0 | 114.8 | T1265 I1279 | T1265-K1277 HydrophobicContact CG2-CG 3.97Å; T1265-K1277 WeakPolarHBondContact O-CE 3.29Å; K1277-I1279 VanDerWaalsContact C-N 3.29Å |
| 1278 | S | 73.5 | Confident | 65.4 | Low | 113 Ų | 113 | 60.7 Ų | 60.7 | 79% | 0.79 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -14.3 | 177.4 | 54.1 | 0 | 0 | 0 | 0 | 114.2 | P1276 | P1276-S1278 PolarHBondContact O-N 2.91Š|
| 1279 | I | 69.3 | Low | 63.2 | Low | 39 Ų | 39 | 60 Ų | 60 | 20% | 0.2 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -33.3 | -177.6 | -50.1 | 167.1 | 0 | 0 | 0 | 109.5 | E1082 E1083 P1276 K1277 K1281 | E1082-I1279 HydrophobicContact CB-CG2 4.01Å; E1082-I1279 HydrophobicContact CG-CD1 4.07Å; E1082-I1279 HydrophobicContact CG-CG2 4.31Å; E1082-I1279 WeakPolarHBondContact OE2-CD1 3.47Å; E1083-I1279 HydrophobicContact CG-CG2 4.1Å; P1276-I1279 HydrophobicContact CB-CD1 4.36Å; P1276-I1279 HydrophobicContact CG-CD1 4.08Å; P1276-I1279 PolarHBondContact O-N 3.32Å; K1277-I1279 VanDerWaalsContact C-N 3.29Å; I1279-K1281 PolarHBondContact O-N 3.05Å |
| 1280 | C | 60.4 | Low | 60.9 | Low | 15 Ų | 15 | 56.1 Ų | 56.1 | 10% | 0.101 | 33% | 0.325 | C | S | . | . | trans | -64.1 | 104.9 | 178.3 | -167.9 | 0 | 0 | 0 | 0 | 111.8 | E1083 T1265 P1275 P1276 V1282 | E1083-C1280 VanDerWaalsContact OE1-CA 3.28Å; E1083-C1280 WeakPolarHBondContact OE1-CA 3.2Å; T1265-C1280 HydrophobicContact CG2-CB 3.79Å; P1275-C1280 HydrophobicContact CB-CB 4.31Å; P1275-C1280 HydrophobicContact CG-CB 3.91Å; P1276-C1280 WeakPolarHBondContact O-CB 3.43Å; P1276-C1280 PolarHBondContact O-N 3.33Å; C1280-V1282 PolarHBondContact O-N 3.23Å | ||
| 1281 | K | 54.3 | Low | 58.2 | Low | 82 Ų | 82 | 62 Ų | 62 | 36% | 0.357 | 36% | 0.363 | S | S | . | . | trans | -63 | 122.9 | 150.9 | -67.7 | 179.3 | 177.8 | -178.8 | 0 | 106.1 | K1076 R1078 E1083 I1279 F1283 | K1076-K1281 WeakPolarHBondContact O-CD 3.42Å; K1076-K1281 WeakPolarHBondContact O-CE 3.37Å; K1076-K1281 PolarHBondContact O-NZ 3.11Å; R1078-K1281 PolarHBondContact O-NZ 2.92Å; E1083-K1281 PolarHBondContact OE1-N 3.12Å; I1279-K1281 PolarHBondContact O-N 3.05Å; K1281-F1283 PolarHBondContact O-N 3.36Å | ||
| 1282 | V | 44.2 | Very low | 55.9 | Low | 92 Ų | 92 | 61.4 Ų | 61.4 | 56% | 0.558 | 35% | 0.349 | S | S | * | . | trans | -61.5 | 135.1 | 179.6 | -170.2 | 0 | 0 | 0 | 0 | 108.3 | C1280 V1284 | C1280-V1282 PolarHBondContact O-N 3.23Å; V1282-V1284 HydrophobicContact CB-CG2 3.86Å; V1282-V1284 HydrophobicContact CG1-CG2 3.64Å; V1282-V1284 PolarHBondContact O-N 2.82Å | ||
| 1283 | F | 41.5 | Very low | 53.3 | Low | 53 Ų | 53 | 58.8 Ų | 58.8 | 23% | 0.232 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 67.5 | -175 | -130.7 | -70 | 0 | 0 | 0 | 111.4 | Y1065 T1069 K1281 | Y1065-F1283 HydrophobicContact CD1-CZ 4.38Å; Y1065-F1283 HydrophobicContact CE1-CD1 4.45Å; Y1065-F1283 AromaticContact CE1-CE1 3.49Å; Y1065-F1283 HydrophobicContact CE1-CE1 3.49Å; Y1065-F1283 VanDerWaalsContact CE1-CE1 3.49Å; Y1065-F1283 HydrophobicContact CE1-CE2 4.46Å; Y1065-F1283 AromaticContact CE1-CZ 3.49Å; Y1065-F1283 HydrophobicContact CE1-CZ 3.49Å; Y1065-F1283 VanDerWaalsContact CE1-CZ 3.49Å; Y1065-F1283 AromaticContact CZ-CE1 3.6Å; Y1065-F1283 WeakPolarHBondContact OH-CD1 3.41Å; Y1065-F1283 WeakPolarHBondContact OH-CE1 3.31Å; T1069-F1283 HydrophobicContact CG2-CE1 4.05Å; T1069-F1283 HydrophobicContact CG2-CZ 4.04Å; K1281-F1283 PolarHBondContact O-N 3.36Å |
| 1284 | V | 33.5 | Very low | 50.3 | Low | 68 Ų | 68 | 58.9 Ų | 58.9 | 41% | 0.412 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -21.1 | -177.5 | -169.6 | 0 | 0 | 0 | 0 | 111.5 | V1282 A1286 | V1282-V1284 HydrophobicContact CB-CG2 3.86Å; V1282-V1284 HydrophobicContact CG1-CG2 3.64Å; V1282-V1284 PolarHBondContact O-N 2.82Å; V1284-A1286 VanDerWaalsContact C-N 3.26Å; V1284-A1286 PolarHBondContact O-N 2.79Å |
| 1285 | G | 31.6 | Very low | 47.4 | Very low | 33 Ų | 33 | 63.6 Ų | 63.6 | 34% | 0.34 | 36% | 0.361 | S | S | . | . | trans | -73.3 | 72.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1286 | A | 31.5 | Very low | 44.8 | Very low | 21 Ų | 21 | 66.2 Ų | 66.2 | 17% | 0.174 | 37% | 0.371 | C | S | . | . | trans | -70.9 | 124.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | V1284 T1288 | V1284-A1286 VanDerWaalsContact C-N 3.26Å; V1284-A1286 PolarHBondContact O-N 2.79Å; A1286-T1288 PolarHBondContact O-N 3.43Å; A1286-T1288 VanDerWaalsContact O-N 3.15Å | ||
| 1287 | P | 33.2 | Very low | 42 | Very low | 40 Ų | 40 | 69.9 Ų | 69.9 | 26% | 0.26 | 39% | 0.387 | S | S | . | . | trans | -58.7 | 123.7 | 176.1 | -22.5 | 32.9 | 0 | 0 | 0 | 109.5 | N1289 C1290 | P1287-N1289 PolarHBondContact O-N 2.93Å; P1287-C1290 HydrophobicContact CB-CB 4.47Å; P1287-C1290 PolarHBondContact O-N 3.24Å | ||
| 1288 | T | 36.3 | Very low | 39.5 | Very low | 109 Ų | 109 | 68.4 Ų | 68.4 | 67% | 0.669 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -0.7 | -171.4 | 47.9 | 0 | 0 | 0 | 0 | 114.9 | A1286 | A1286-T1288 PolarHBondContact O-N 3.43Å; A1286-T1288 VanDerWaalsContact O-N 3.15Å |
| 1289 | N | 36.4 | Very low | 37.1 | Very low | 130 Ų | 130 | 67 Ų | 67 | 70% | 0.695 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.1 | 31.5 | 175.9 | -72.4 | -69.6 | 0 | 0 | 0 | 113.2 | P1287 P1291 | P1287-N1289 PolarHBondContact O-N 2.93Å; N1289-P1291 WeakPolarHBondContact O-CD 3.47Å |
| 1290 | C | 36.4 | Very low | 35 | Very low | 7 Ų | 7 | 70.5 Ų | 70.5 | 5% | 0.047 | 40% | 0.404 | C | S | . | . | trans | -91.6 | 98.1 | 168.6 | -94.2 | 0 | 0 | 0 | 0 | 111.3 | Q1068 P1287 W1292 W1293 | Q1068-C1290 PolarHBondContact NE2-SG 3.19Å; P1287-C1290 HydrophobicContact CB-CB 4.47Å; P1287-C1290 PolarHBondContact O-N 3.24Å; C1290-W1292 PolarHBondContact O-N 2.86Å; C1290-W1293 HydrophobicContact CB-CB 3.86Å; C1290-W1293 PolarHBondContact O-N 3.45Å | ||
| 1291 | P | 35.5 | Very low | 33.3 | Very low | 125 Ų | 125 | 75.4 Ų | 75.4 | 81% | 0.812 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -0 | 178.1 | 29.3 | -36.4 | 0 | 0 | 0 | 114.2 | N1289 | N1289-P1291 WeakPolarHBondContact O-CD 3.47Š|
| 1292 | W | 37.2 | Very low | 31.8 | Very low | 67 Ų | 67 | 77.2 Ų | 77.2 | 25% | 0.254 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129 | 14.2 | -179.2 | 63.2 | -85.5 | 0 | 0 | 0 | 112.8 | R1064 Y1065 W1180 C1290 | R1064-W1292 HydrophobicContact CG-CH2 4.29Å; R1064-W1292 HydrophobicContact CG-CZ2 4.02Å; Y1065-W1292 AromaticContact CD2-CH2 3.76Å; Y1065-W1292 HydrophobicContact CD2-CH2 3.76Å; Y1065-W1292 AromaticContact CD2-CZ3 3.99Å; Y1065-W1292 HydrophobicContact CD2-CZ3 3.99Å; Y1065-W1292 HydrophobicContact CG-CH2 4.33Å; W1180-W1292 WeakPolarHBondContact CZ3-O 3.39Å; C1290-W1292 PolarHBondContact O-N 2.86Å |
| 1293 | W | 35.6 | Very low | 30.8 | Very low | 28 Ų | 28 | 80.3 Ų | 80.3 | 11% | 0.106 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -124.5 | 138.8 | 163.4 | -160.4 | -105.2 | 0 | 0 | 0 | 110.3 | Y1065 P1254 C1290 I1295 | Y1065-W1293 HydrophobicContact CD2-CD2 4.4Å; Y1065-W1293 HydrophobicContact CD2-CE3 4.31Å; Y1065-W1293 HydrophobicContact CE2-CB 4.28Å; Y1065-W1293 AromaticContact CE2-CD2 3.5Å; Y1065-W1293 HydrophobicContact CE2-CD2 3.5Å; Y1065-W1293 AromaticContact CE2-CE2 3.88Å; Y1065-W1293 AromaticContact CE2-CE3 3.81Å; Y1065-W1293 HydrophobicContact CE2-CE3 3.81Å; Y1065-W1293 AromaticContact CE2-CG 3.7Å; Y1065-W1293 HydrophobicContact CE2-CG 3.7Å; Y1065-W1293 HydrophobicContact CE2-CZ2 4.46Å; Y1065-W1293 HydrophobicContact CE2-CZ3 4.39Å; Y1065-W1293 AromaticContact CZ-CD2 3.94Å; Y1065-W1293 AromaticContact CZ-CE2 3.8Å; Y1065-W1293 VanDerWaalsContact OH-CE2 3.23Å; Y1065-W1293 PolarHBondContact OH-NE1 2.88Å; P1254-W1293 HydrophobicContact CB-CZ3 4.28Å; C1290-W1293 HydrophobicContact CB-CB 3.86Å; C1290-W1293 PolarHBondContact O-N 3.45Å; W1293-I1295 PolarHBondContact O-N 3.05Å |
| 1294 | P | 30.4 | Very low | 30.1 | Very low | 8 Ų | 8 | 82.5 Ų | 82.5 | 5% | 0.052 | 48% | 0.475 | C | S | . | . | trans | -71.9 | 132.1 | -171.7 | -14 | 29.2 | 0 | 0 | 0 | 111 | Y1177 W1180 W1296 | Y1177-P1294 HydrophobicContact CD1-CB 3.91Å; Y1177-P1294 HydrophobicContact CD1-CG 3.66Å; Y1177-P1294 HydrophobicContact CD2-CG 4.29Å; Y1177-P1294 HydrophobicContact CE1-CB 3.25Å; Y1177-P1294 HydrophobicContact CE1-CG 3.53Å; Y1177-P1294 HydrophobicContact CE2-CB 4.26Å; Y1177-P1294 HydrophobicContact CE2-CG 4.17Å; Y1177-P1294 HydrophobicContact CG-CG 4.05Å; Y1177-P1294 VanDerWaalsContact CZ-CB 3.43Å; W1180-P1294 HydrophobicContact CE3-CG 4.03Å; W1180-P1294 HydrophobicContact CH2-CB 4.17Å; W1180-P1294 HydrophobicContact CH2-CG 3.72Å; W1180-P1294 HydrophobicContact CZ2-CG 4.34Å; W1180-P1294 HydrophobicContact CZ3-CB 4.44Å; W1180-P1294 HydrophobicContact CZ3-CG 3.51Å; P1294-W1296 PolarHBondContact O-N 2.79Å | ||
| 1295 | I | 29.1 | Very low | 29.7 | Very low | 103 Ų | 103 | 88.9 Ų | 88.9 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | trans | -71 | 105.9 | -179.7 | -59.8 | 174.1 | 0 | 0 | 0 | 109.3 | W1293 N1297 | W1293-I1295 PolarHBondContact O-N 3.05Å; I1295-N1297 HydrophobicContact CG2-CB 4.32Å; I1295-N1297 PolarHBondContact O-N 3.38Å | ||
| 1296 | W | 31.8 | Very low | 29.5 | Very low | 57 Ų | 57 | 92.6 Ų | 92.6 | 22% | 0.216 | 51% | 0.511 | C | S | . | . | trans | -89.2 | 72.8 | 170.7 | -80.2 | 94.7 | 0 | 0 | 0 | 110.2 | D1173 Y1177 L1259 K1262 P1294 I1298 | D1173-W1296 VanDerWaalsContact CG-CZ2 3.47Å; D1173-W1296 WeakPolarHBondContact OD1-CH2 3.34Å; D1173-W1296 VanDerWaalsContact OD1-CZ2 3.23Å; D1173-W1296 WeakPolarHBondContact OD1-CZ2 3.19Å; D1173-W1296 VanDerWaalsContact OD2-CH2 3.25Å; D1173-W1296 WeakPolarHBondContact OD2-CH2 3.2Å; D1173-W1296 VanDerWaalsContact OD2-CZ2 3.27Å; D1173-W1296 WeakPolarHBondContact OD2-CZ2 3.41Å; Y1177-W1296 HydrophobicContact CE2-CZ2 4.14Å; L1259-W1296 HydrophobicContact CD2-CZ2 4.37Å; K1262-W1296 HydrophobicContact CD-CH2 3.92Å; K1262-W1296 HydrophobicContact CD-CZ2 3.81Å; K1262-W1296 HydrophobicContact CD-CZ3 4.42Å; K1262-W1296 VanDerWaalsContact CE-CZ3 3.43Å; P1294-W1296 PolarHBondContact O-N 2.79Å; W1296-I1298 PolarHBondContact O-N 3.42Å; W1296-I1298 VanDerWaalsContact O-N 3.14Å | ||
| 1297 | N | 24.2 | Very low | 29.1 | Very low | 126 Ų | 126 | 97.8 Ų | 97.8 | 67% | 0.674 | 54% | 0.535 | S | S | * | . | trans | -68.7 | 110.2 | 175.9 | -118 | 29.1 | 0 | 0 | 0 | 110.1 | I1295 | I1295-N1297 HydrophobicContact CG2-CB 4.32Å; I1295-N1297 PolarHBondContact O-N 3.38Å | ||
| 1298 | I | 23.9 | Very low | 28.8 | Very low | 120 Ų | 120 | 105.4 Ų | 105.4 | 62% | 0.615 | 57% | 0.568 | S | S | * | * | trans | -126.3 | 82.6 | 165.2 | -55.1 | -178.9 | 0 | 0 | 0 | 107.8 | W1296 | W1296-I1298 PolarHBondContact O-N 3.42Å; W1296-I1298 VanDerWaalsContact O-N 3.14Å | ||
| 1299 | S | 23.9 | Very low | 28.3 | Very low | 85 Ų | 85 | 106.6 Ų | 106.6 | 59% | 0.594 | 57% | 0.569 | S | S | * | * | trans | -145.3 | 73.8 | 164.6 | 63.6 | 0 | 0 | 0 | 0 | 107.9 | T1301 | S1299-T1301 PolarHBondContact O-N 2.94Š| ||
| 1300 | S | 23.5 | Very low | 27.6 | Very low | 112 Ų | 112 | 104.9 Ų | 104.9 | 78% | 0.783 | 57% | 0.567 | S | S | * | * | trans | -71.8 | 80.1 | 169.1 | 48.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1301 | T | 25.4 | Very low | 27.1 | Very low | 117 Ų | 117 | 110.5 Ų | 110.5 | 72% | 0.718 | 60% | 0.601 | S | S | * | * | trans | -90.2 | 111.1 | 155.6 | 50.6 | 0 | 0 | 0 | 0 | 107.1 | S1299 N1303 | S1299-T1301 PolarHBondContact O-N 2.94Å; T1301-N1303 PolarHBondContact O-N 3.48Å | ||
| 1302 | D | 22.7 | Very low | 26.7 | Very low | 120 Ų | 120 | 111.9 Ų | 111.9 | 64% | 0.642 | 60% | 0.596 | S | S | * | * | trans | -55.7 | 128.6 | 176.5 | -81.4 | -81.3 | 0 | 0 | 0 | 111.9 | N1304 | D1302-N1304 PolarHBondContact OD1-ND2 2.9Š| ||
| 1303 | N | 24.2 | Very low | 26.1 | Very low | 158 Ų | 158 | 115.2 Ų | 115.2 | 85% | 0.845 | 62% | 0.615 | S | S | * | * | trans | -131.7 | 58.7 | 155.3 | -86.8 | -39.8 | 0 | 0 | 0 | 107.4 | T1301 E1305 | T1301-N1303 PolarHBondContact O-N 3.48Å; N1303-E1305 PolarHBondContact O-N 2.99Å | ||
| 1304 | N | 25.6 | Very low | 25.7 | Very low | 99 Ų | 99 | 119.8 Ų | 119.8 | 53% | 0.529 | 64% | 0.641 | S | S | . | * | trans | -82.5 | 81.4 | 170.2 | -85.2 | -55.7 | 0 | 0 | 0 | 109.6 | D1302 I1306 | D1302-N1304 PolarHBondContact OD1-ND2 2.9Å; N1304-I1306 HydrophobicContact CB-CD1 4.19Å; N1304-I1306 HydrophobicContact CB-CG1 4.2Å | ||
| 1305 | E | 26.3 | Very low | 25.6 | Very low | 202 Ų | 202 | 126.1 Ų | 126.1 | 94% | 0.944 | 68% | 0.675 | S | S | * | * | trans | -91.3 | 111.8 | 146.8 | -76.8 | -165.3 | 145.3 | 0 | 0 | 107.4 | N1303 | N1303-E1305 PolarHBondContact O-N 2.99Š| ||
| 1306 | I | 26.2 | Very low | 25.4 | Very low | 111 Ų | 111 | 126 Ų | 126 | 57% | 0.569 | 68% | 0.684 | S | S | * | * | trans | -109.3 | 124.4 | -171.9 | -71.9 | 177.5 | 0 | 0 | 0 | 109.1 | N1304 | N1304-I1306 HydrophobicContact CB-CD1 4.19Å; N1304-I1306 HydrophobicContact CB-CG1 4.2Å | ||
| 1307 | N | 24.4 | Very low | 25.3 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 69% | 0.69 | 72% | 0.717 | S | S | * | * | trans | 54.2 | 128.8 | 161 | -57.7 | -17.2 | 0 | 0 | 0 | 118.6 | ||||
| 1308 | E | 26 | Very low | 25.4 | Very low | 201 Ų | 201 | 132.4 Ų | 132.4 | 94% | 0.939 | 72% | 0.719 | S | S | * | * | -130.6 | 153.6 | 119.9 | -136.9 | 171.8 | -146.4 | 0 | 0 | 110 | |||||
| 1309 | I | 26.6 | Very low | 25.5 | Very low | 134 Ų | 134 | 133 Ų | 133 | 69% | 0.687 | 73% | 0.731 | S | S | * | * | trans | -114.1 | 125.9 | -160.7 | -74.4 | 171.4 | 0 | 0 | 0 | 110.6 | ||||
| 1310 | S | 21.7 | Very low | 25.6 | Very low | 94 Ų | 94 | 135.1 Ų | 135.1 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | trans | 15.2 | 129.1 | 162.2 | 65.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1311 | T | 24.4 | Very low | 25.6 | Very low | 125 Ų | 125 | 139 Ų | 139 | 77% | 0.767 | 74% | 0.735 | S | S | * | * | -172.9 | 161.6 | 100 | 29.5 | 0 | 0 | 0 | 0 | 114 | |||||
| 1312 | Q | 27.4 | Very low | 25.7 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 72% | 0.715 | 74% | 0.737 | S | S | * | * | trans | 59.4 | 105.5 | 148.6 | -74.8 | -173.3 | -67.5 | 0 | 0 | 122.2 | ||||
| 1313 | E | 24.6 | Very low | 25.6 | Very low | 138 Ų | 138 | 144 Ų | 144 | 65% | 0.645 | 74% | 0.744 | S | S | * | * | 83.2 | 122.3 | 112.9 | -79.1 | -176.5 | -117.5 | 0 | 0 | 123.8 | |||||
| 1314 | N | 26.6 | Very low | 25.7 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 66% | 0.658 | 74% | 0.742 | S | S | * | * | trans | 92.3 | 142.1 | 134.2 | -61 | -20.6 | 0 | 0 | 0 | 122.4 | ||||
| 1315 | N | 29.4 | Very low | 25.6 | Very low | 141 Ų | 141 | 147.8 Ų | 147.8 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | 75.9 | 64.2 | 153.5 | -59.6 | -13.8 | 0 | 0 | 0 | 120.9 | ||||
| 1316 | S | 24 | Very low | 25.6 | Very low | 102 Ų | 102 | 146.1 Ų | 146.1 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | 30.8 | 123.8 | 118.6 | 64.1 | 0 | 0 | 0 | 0 | 121 | |||||
| 1317 | T | 30.6 | Very low | 25.6 | Very low | 148 Ų | 148 | 144.6 Ų | 144.6 | 91% | 0.908 | 76% | 0.758 | S | S | * | * | -155.1 | 142.2 | 118.6 | -1.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1318 | K | 25.9 | Very low | 25.6 | Very low | 168 Ų | 168 | 145.5 Ų | 145.5 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | trans | -128.4 | 144.3 | 168 | -73.3 | -177.2 | 178.5 | 178.1 | 0 | 108.8 | ||||
| 1319 | P | 25.9 | Very low | 25.6 | Very low | 134 Ų | 134 | 145.9 Ų | 145.9 | 87% | 0.87 | 76% | 0.761 | S | S | * | * | trans | -71.6 | 141.1 | 149.9 | 31.6 | -30.8 | 0 | 0 | 0 | 109.6 | ||||
| 1320 | H | 25.8 | Very low | 25.5 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 60% | 0.597 | 76% | 0.761 | S | S | * | * | trans | -126 | 114.2 | -168.1 | -135.5 | -85.6 | 0 | 0 | 0 | 111.1 | ||||
| 1321 | F | 24.7 | Very low | 25.7 | Very low | 193 Ų | 193 | 151.5 Ų | 151.5 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -159.1 | 136.1 | 160.2 | -89.4 | -80.6 | 0 | 0 | 0 | 108.5 | ||||
| 1322 | Q | 26.6 | Very low | 25.7 | Very low | 164 Ų | 164 | 154.2 Ų | 154.2 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | cis | -149.4 | 167.9 | -30.7 | -142.6 | 176.2 | 2.2 | 0 | 0 | 108.2 | ||||
| 1323 | F | 21.5 | Very low | 25.5 | Very low | 179 Ų | 179 | 154.6 Ų | 154.6 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -71 | 133.5 | -179.3 | -85.4 | -98.9 | 0 | 0 | 0 | 112.7 | ||||
| 1324 | S | 26.3 | Very low | 25.5 | Very low | 117 Ų | 117 | 153.6 Ų | 153.6 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -138.1 | 132.4 | 137.5 | -171.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1325 | R | 23.2 | Very low | 25.4 | Very low | 219 Ų | 219 | 156.3 Ų | 156.3 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -83.9 | 124.9 | 178.8 | -73.2 | 172.5 | 168.3 | 150.8 | -7.1 | 109.1 | ||||
| 1326 | N | 26.3 | Very low | 25.1 | Very low | 166 Ų | 166 | 154 Ų | 154 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | -152.7 | 155.4 | 148 | -112.5 | -37.6 | 0 | 0 | 0 | 112.4 | ||||
| 1327 | A | 25.7 | Very low | 25.2 | Very low | 80 Ų | 80 | 154.6 Ų | 154.6 | 66% | 0.661 | 78% | 0.784 | S | S | * | * | trans | -83.4 | 154.7 | -152.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1328 | N | 23.7 | Very low | 25 | Very low | 147 Ų | 147 | 156.6 Ų | 156.6 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | 48.2 | 88.3 | 146.7 | -63.9 | -13.4 | 0 | 0 | 0 | 118.6 | ||||
| 1329 | K | 26 | Very low | 25 | Very low | 209 Ų | 209 | 158.2 Ų | 158.2 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | trans | -149.1 | 50 | 148.6 | -118.6 | 164 | -165.9 | 170.8 | 0 | 114 | R1331 | K1329-R1331 PolarHBondContact O-N 2.83Š| ||
| 1330 | S | 25.8 | Very low | 25.1 | Very low | 97 Ų | 97 | 161.4 Ų | 161.4 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | trans | -63.9 | 113.8 | 162.7 | 41.4 | 0 | 0 | 0 | 0 | 109.6 | K1332 | S1330-K1332 PolarHBondContact O-N 3.34Š| ||
| 1331 | R | 24.8 | Very low | 25 | Very low | 250 Ų | 250 | 167.6 Ų | 167.6 | 94% | 0.943 | 79% | 0.794 | S | S | * | * | trans | -70.6 | 75.2 | 166.7 | -78.7 | -177.6 | 170.9 | 166.3 | -3.2 | 109.3 | K1329 L1333 | K1329-R1331 PolarHBondContact O-N 2.83Å; R1331-L1333 PolarHBondContact O-N 3.48Å | ||
| 1332 | K | 24.7 | Very low | 25.1 | Very low | 182 Ų | 182 | 161.3 Ų | 161.3 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -58.7 | 130.5 | 159.3 | -81.2 | -173.2 | 171.9 | -177.2 | 0 | 107.7 | S1330 D1334 | S1330-K1332 PolarHBondContact O-N 3.34Å; K1332-D1334 PolarHBondContact O-N 3.17Å | ||
| 1333 | L | 23.3 | Very low | 25 | Very low | 161 Ų | 161 | 160.4 Ų | 160.4 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -62.3 | 115.7 | 164.9 | -78.8 | 154.1 | 0 | 0 | 0 | 107.4 | R1331 M1335 | R1331-L1333 PolarHBondContact O-N 3.48Å; L1333-M1335 PolarHBondContact O-N 3.48Å | ||
| 1334 | D | 25.6 | Very low | 25.2 | Very low | 117 Ų | 117 | 157.2 Ų | 157.2 | 63% | 0.626 | 77% | 0.774 | S | S | * | * | trans | -81.3 | 86.2 | -168.9 | -166.7 | 13.9 | 0 | 0 | 0 | 111 | K1332 N1336 | K1332-D1334 PolarHBondContact O-N 3.17Å; D1334-N1336 PolarHBondContact O-N 2.86Å; D1334-N1336 VanDerWaalsContact OD1-CB 3.26Å; D1334-N1336 WeakPolarHBondContact OD1-CB 3.44Å | ||
| 1335 | M | 23.9 | Very low | 25.2 | Very low | 180 Ų | 180 | 158 Ų | 158 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | 36.3 | 173.7 | -76.9 | -76.1 | 155 | 0 | 0 | 112.7 | L1333 | L1333-M1335 PolarHBondContact O-N 3.48Š|
| 1336 | N | 23.8 | Very low | 25.2 | Very low | 93 Ų | 93 | 154.3 Ų | 154.3 | 50% | 0.497 | 77% | 0.766 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -144.2 | 17.6 | -170.8 | -113.2 | -38.2 | 0 | 0 | 0 | 114 | D1334 R1338 | D1334-N1336 PolarHBondContact O-N 2.86Å; D1334-N1336 VanDerWaalsContact OD1-CB 3.26Å; D1334-N1336 WeakPolarHBondContact OD1-CB 3.44Å; N1336-R1338 PolarHBondContact O-N 3.43Å; N1336-R1338 PolarHBondContact OD1-NH2 2.91Å |
| 1337 | S | 25.6 | Very low | 25.1 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | -69.6 | 54.8 | 167.1 | 51.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1338 | R | 26.2 | Very low | 25 | Very low | 190 Ų | 190 | 152.4 Ų | 152.4 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | trans | -55.7 | 148.9 | 169.5 | -115 | 174.1 | -74.6 | -170.2 | -3.9 | 110.2 | N1336 K1340 | N1336-R1338 PolarHBondContact O-N 3.43Å; N1336-R1338 PolarHBondContact OD1-NH2 2.91Å; R1338-K1340 PolarHBondContact O-N 2.96Å; R1338-K1340 VanDerWaalsContact O-N 3.16Å | ||
| 1339 | W | 25.9 | Very low | 25.1 | Very low | 202 Ų | 202 | 150.8 Ų | 150.8 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | trans | -44.4 | 120.7 | 170.2 | -68.9 | 77.9 | 0 | 0 | 0 | 110.6 | R1341 | W1339-R1341 PolarHBondContact O-N 3.08Š| ||
| 1340 | K | 27.1 | Very low | 25 | Very low | 200 Ų | 200 | 150.7 Ų | 150.7 | 87% | 0.87 | 76% | 0.757 | S | S | * | * | trans | -65.2 | 133.3 | 175 | -74.7 | -176.8 | 175.5 | 179.1 | 0 | 109.2 | R1338 G1342 | R1338-K1340 PolarHBondContact O-N 2.96Å; R1338-K1340 VanDerWaalsContact O-N 3.16Å; K1340-G1342 PolarHBondContact O-N 3.27Å | ||
| 1341 | R | 24.6 | Very low | 24.9 | Very low | 259 Ų | 259 | 152.9 Ų | 152.9 | 98% | 0.977 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -58.2 | 127.9 | 164 | -77.7 | 179.4 | 170 | 171.3 | -4.3 | 108.4 | W1339 | W1339-R1341 PolarHBondContact O-N 3.08Š|
| 1342 | G | 26 | Very low | 24.9 | Very low | 61 Ų | 61 | 146.9 Ų | 146.9 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | trans | 173.5 | -99.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | K1340 | K1340-G1342 PolarHBondContact O-N 3.27Š| ||
| 1343 | D | 24.9 | Very low | 24.8 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | trans | -111.2 | 108 | -152.7 | -48.3 | -68.9 | 0 | 0 | 0 | 114.1 | ||||
| 1344 | I | 26.2 | Very low | 24.9 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 57% | 0.569 | 74% | 0.739 | S | S | * | * | 168.3 | 89.5 | 124.2 | -81.3 | 161.8 | 0 | 0 | 0 | 108.5 | V1057 | V1057-I1344 HydrophobicContact CG2-CG2 4.42Š| |||
| 1345 | V | 25.1 | Very low | 25 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | trans | -149.2 | 127.2 | 163.4 | 178.2 | 0 | 0 | 0 | 0 | 102.4 | ||||
| 1346 | H | 24.7 | Very low | 25.2 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 66% | 0.657 | 74% | 0.737 | S | S | * | * | cis | -151 | 159.9 | 16.8 | -146.5 | -79.3 | 0 | 0 | 0 | 108.3 | ||||
| 1347 | P | 24.3 | Very low | 25.5 | Very low | 82 Ų | 82 | 141.6 Ų | 141.6 | 53% | 0.532 | 75% | 0.748 | S | S | . | * | S | Bend | trans | -97.2 | 144.1 | 153.8 | 33.2 | -27.9 | 0 | 0 | 0 | 111.2 | M1247 | M1247-P1347 HydrophobicContact CE-CG 4.02Š|
| 1348 | C | 22.9 | Very low | 25.4 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | trans | 57.4 | 88.6 | 168.8 | -61 | 0 | 0 | 0 | 0 | 118 | ||||
| 1349 | S | 25.3 | Very low | 25.5 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | -124.6 | 138.6 | 139 | 52.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1350 | F | 25.2 | Very low | 25.7 | Very low | 206 Ų | 206 | 138.4 Ų | 138.4 | 90% | 0.904 | 75% | 0.747 | S | S | * | * | trans | -77.2 | 140.4 | 177.4 | -83.4 | -108.5 | 0 | 0 | 0 | 110.4 | ||||
| 1351 | E | 23.1 | Very low | 25.5 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 67% | 0.673 | 75% | 0.747 | S | S | * | * | trans | -73.9 | 153.1 | 154.6 | -78.5 | -157.2 | 139.1 | 0 | 0 | 109.7 | ||||
| 1352 | P | 24.6 | Very low | 25.6 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 81% | 0.805 | 74% | 0.736 | S | S | * | * | -129.7 | 132.1 | 95.8 | 35.4 | -27.7 | 0 | 0 | 0 | 115.1 | |||||
| 1353 | C | 23.1 | Very low | 25.5 | Very low | 93 Ų | 93 | 136 Ų | 136 | 63% | 0.628 | 75% | 0.745 | S | S | * | * | trans | 16 | 115.1 | 153.4 | -62.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1354 | K | 24.4 | Very low | 25.5 | Very low | 174 Ų | 174 | 138.3 Ų | 138.3 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | 48.7 | 161.7 | 102.6 | -68.2 | 176.9 | -175.8 | 170.8 | 0 | 120.9 | |||||
| 1355 | P | 28.8 | Very low | 25.3 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | cis | -143.1 | 161.2 | -35.4 | 39.2 | -22.5 | 0 | 0 | 0 | 115.8 | ||||
| 1356 | S | 28.1 | Very low | 25.3 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | 173.3 | 158.3 | 148.7 | 49.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1357 | D | 28.6 | Very low | 25.2 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | cis | -153.7 | 141.9 | -29.5 | -105.3 | -34.7 | 0 | 0 | 0 | 111.3 | ||||
| 1358 | I | 24.8 | Very low | 25.3 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 70% | 0.697 | 78% | 0.776 | S | S | * | * | trans | 57.6 | 128.6 | 138.7 | -61.2 | 169.2 | 0 | 0 | 0 | 121.6 | ||||
| 1359 | M | 27.3 | Very low | 25.6 | Very low | 160 Ų | 160 | 141.8 Ų | 141.8 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | trans | 102.3 | 125.9 | 148.4 | -91.2 | 176.8 | -171 | 0 | 0 | 124.3 | ||||
| 1360 | N | 29.7 | Very low | 25.7 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | trans | 80.7 | 111.2 | 141.3 | -62.1 | -15.7 | 0 | 0 | 0 | 122.7 | ||||
| 1361 | K | 24.1 | Very low | 25.9 | Very low | 204 Ų | 204 | 141 Ų | 141 | 89% | 0.887 | 74% | 0.744 | S | S | * | * | trans | -92.6 | 137.4 | 146.4 | -66.3 | 172.3 | 174.4 | 175.5 | 0 | 109.2 | ||||
| 1362 | S | 26.9 | Very low | 26.2 | Very low | 107 Ų | 107 | 139.8 Ų | 139.8 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | trans | -176.9 | 115.3 | 134.3 | 52.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1363 | I | 23.4 | Very low | 26.4 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | trans | 27.4 | 122.4 | 130.8 | -56.5 | 160.5 | 0 | 0 | 0 | 117.9 | ||||
| 1364 | E | 24.5 | Very low | 26.5 | Very low | 194 Ų | 194 | 144.3 Ų | 144.3 | 91% | 0.907 | 74% | 0.743 | S | S | * | * | -149.5 | 160.7 | 124.6 | -138.2 | 172.6 | -145.8 | 0 | 0 | 111.6 | |||||
| 1365 | V | 21.7 | Very low | 26.6 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | trans | -139.3 | 133.5 | -175.6 | 171.3 | 0 | 0 | 0 | 0 | 109.4 | V1367 | V1365-V1367 HydrophobicContact CG1-CG2 4.15Š| ||
| 1366 | S | 25.7 | Very low | 26.4 | Very low | 122 Ų | 122 | 144.2 Ų | 144.2 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | trans | -139.4 | 155.2 | 155.2 | 70.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1367 | V | 23.1 | Very low | 26.4 | Very low | 126 Ų | 126 | 150.1 Ų | 150.1 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | trans | -140.1 | 148.8 | -168.9 | 170.8 | 0 | 0 | 0 | 0 | 107.4 | V1365 | V1365-V1367 HydrophobicContact CG1-CG2 4.15Š| ||
| 1368 | K | 26.4 | Very low | 26.2 | Very low | 171 Ų | 171 | 151.4 Ų | 151.4 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | -172 | 128.9 | 143.3 | -105.2 | -177.2 | 175.1 | -160.2 | 0 | 114.3 | ||||
| 1369 | H | 28.8 | Very low | 26.1 | Very low | 125 Ų | 125 | 150.6 Ų | 150.6 | 58% | 0.579 | 75% | 0.747 | S | S | * | * | trans | 63.6 | 142 | 139.5 | -59.5 | -40.1 | 0 | 0 | 0 | 121 | ||||
| 1370 | E | 26.8 | Very low | 26 | Very low | 127 Ų | 127 | 150.3 Ų | 150.3 | 59% | 0.593 | 75% | 0.748 | S | S | * | * | cis | -170.1 | 165.3 | -14.3 | -123.9 | 165.3 | -161.8 | 0 | 0 | 113.5 | ||||
| 1371 | Y | 30.1 | Very low | 26.2 | Very low | 178 Ų | 178 | 153.4 Ų | 153.4 | 70% | 0.698 | 75% | 0.75 | S | S | * | * | trans | 44.6 | 121.9 | 159.9 | -67.7 | -69 | 0 | 0 | 0 | 119.4 | ||||
| 1372 | D | 28.9 | Very low | 27 | Very low | 117 Ų | 117 | 149 Ų | 149 | 63% | 0.626 | 74% | 0.742 | S | S | * | * | 83 | 154.4 | 60.5 | -74.3 | 12.8 | 0 | 0 | 0 | 113.4 | |||||
| 1373 | Q | 29.2 | Very low | 27.3 | Very low | 152 Ų | 152 | 150.1 Ų | 150.1 | 71% | 0.71 | 74% | 0.74 | S | S | * | * | cis | -152.2 | 148.5 | -0.4 | -127 | 166.9 | 54.6 | 0 | 0 | 112.7 | ||||
| 1374 | E | 26 | Very low | 27.7 | Very low | 160 Ų | 160 | 150.2 Ų | 150.2 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | 18.5 | 136.5 | 147.3 | -72.8 | -155.9 | 129.6 | 0 | 0 | 126.9 | ||||
| 1375 | L | 26.5 | Very low | 28.3 | Very low | 121 Ų | 121 | 147.4 Ų | 147.4 | 63% | 0.634 | 73% | 0.732 | S | S | * | * | trans | 81.7 | 115.9 | 130.1 | -69.6 | 168.8 | 0 | 0 | 0 | 124.2 | ||||
| 1376 | K | 23.8 | Very low | 28.8 | Very low | 166 Ų | 166 | 148.5 Ų | 148.5 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | trans | 54.4 | 126.2 | 135.9 | -67 | 178.8 | -179.4 | -179.5 | 0 | 121.2 | ||||
| 1377 | Y | 27.9 | Very low | 29.8 | Very low | 229 Ų | 229 | 146.8 Ų | 146.8 | 90% | 0.898 | 72% | 0.72 | S | S | * | * | -162 | -167.1 | 96.6 | -106.4 | -68 | 0 | 0 | 0 | 111 | |||||
| 1378 | E | 23.9 | Very low | 30.3 | Very low | 163 Ų | 163 | 147.8 Ų | 147.8 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | trans | -129.5 | 141.7 | -152 | -162.1 | 168.4 | -155.6 | 0 | 0 | 113.5 | ||||
| 1379 | T | 24.3 | Very low | 30.8 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 73% | 0.73 | 73% | 0.726 | S | S | * | * | trans | 70 | 137.2 | 155.8 | 36.2 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1380 | I | 24.8 | Very low | 30.9 | Very low | 154 Ų | 154 | 143.4 Ų | 143.4 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | trans | 99.1 | 147.4 | 138.5 | -74.3 | 161.7 | 0 | 0 | 0 | 121 | ||||
| 1381 | Y | 34.3 | Very low | 31.2 | Very low | 208 Ų | 208 | 144.4 Ų | 144.4 | 82% | 0.816 | 75% | 0.745 | S | S | * | * | trans | -90.3 | 176.5 | -167.2 | -61.7 | -101.9 | 0 | 0 | 0 | 114.2 | ||||
| 1382 | P | 39.4 | Very low | 31 | Very low | 111 Ų | 111 | 141 Ų | 141 | 72% | 0.721 | 75% | 0.745 | S | S | * | * | -131.9 | 169.4 | 122.7 | 38.8 | -30.7 | 0 | 0 | 0 | 111.9 | |||||
| 1383 | N | 33.8 | Very low | 30.9 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | cis | -166.4 | 160.7 | -17.9 | -101.7 | 21.5 | 0 | 0 | 0 | 104.8 | ||||
| 1384 | E | 32.1 | Very low | 30.8 | Very low | 159 Ų | 159 | 141 Ų | 141 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | cis | -137.3 | -152.6 | -2.4 | -105.7 | 151.2 | -111 | 0 | 0 | 106.1 | ||||
| 1385 | V | 36.2 | Very low | 31 | Very low | 135 Ų | 135 | 138 Ų | 138 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | cis | -147.6 | 163.4 | 14.1 | -175.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 1386 | D | 33.8 | Very low | 31.1 | Very low | 144 Ų | 144 | 138 Ų | 138 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | -127.4 | -177.4 | -169 | -147.5 | 17.9 | 0 | 0 | 0 | 110.6 | ||||
| 1387 | P | 45.3 | Very low | 31.4 | Very low | 87 Ų | 87 | 136.3 Ų | 136.3 | 57% | 0.565 | 76% | 0.756 | S | S | * | * | cis | -134.8 | -176.3 | -18.5 | 16.7 | 9.7 | 0 | 0 | 0 | 116.2 | ||||
| 1388 | N | 34.9 | Very low | 31.5 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | 112 | 134.7 | 129.8 | -93.7 | -36 | 0 | 0 | 0 | 123.8 | |||||
| 1389 | V | 36 | Very low | 31.7 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 85% | 0.848 | 74% | 0.737 | S | S | * | * | trans | 64.6 | 133.2 | 167.5 | -155.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1390 | G | 31.8 | Very low | 32 | Very low | 64 Ų | 64 | 132.2 Ų | 132.2 | 66% | 0.66 | 74% | 0.741 | S | S | * | * | cis | 153.8 | 146.8 | -13.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1391 | V | 32.4 | Very low | 32.4 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 90% | 0.897 | 74% | 0.738 | S | S | * | * | trans | 79.6 | 150.5 | 160.9 | -169.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1392 | C | 25.4 | Very low | 32.2 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 71% | 0.709 | 74% | 0.736 | S | S | * | * | trans | -132.8 | 163 | -172.3 | -49.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1393 | N | 27.5 | Very low | 31.9 | Very low | 146 Ų | 146 | 137.5 Ų | 137.5 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | trans | 65.6 | 160.2 | 158.8 | -67.7 | 35.7 | 0 | 0 | 0 | 117.4 | ||||
| 1394 | D | 28 | Very low | 31.5 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 67% | 0.668 | 75% | 0.753 | S | S | * | * | cis | -153 | 164.3 | -4.1 | -136 | -48.9 | 0 | 0 | 0 | 113.1 | ||||
| 1395 | S | 28.7 | Very low | 31.6 | Very low | 97 Ų | 97 | 147.6 Ų | 147.6 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | 63.9 | 169.8 | 154.3 | 80.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1396 | T | 28.4 | Very low | 31.8 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | -157.6 | 174.7 | -56.1 | 42 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 1397 | V | 30.2 | Very low | 31.9 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | 75.8 | 142.3 | 168.3 | -170.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1398 | D | 30.5 | Very low | 31.4 | Very low | 135 Ų | 135 | 151.9 Ų | 151.9 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | cis | -127.4 | -168.5 | 11.7 | -153.4 | -11 | 0 | 0 | 0 | 114.2 | ||||
| 1399 | S | 27.9 | Very low | 31.4 | Very low | 79 Ų | 79 | 150.3 Ų | 150.3 | 55% | 0.552 | 77% | 0.774 | S | S | * | * | trans | -144.7 | -178.1 | -164.8 | 65.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1400 | R | 30 | Very low | 31.2 | Very low | 211 Ų | 211 | 153.3 Ų | 153.3 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | 75.4 | 141.4 | -178.9 | -46.5 | 171.3 | -155.9 | -165 | 6.7 | 112.5 | ||||
| 1401 | H | 33.6 | Very low | 30.9 | Very low | 161 Ų | 161 | 159.9 Ų | 159.9 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | cis | -141.7 | 169.3 | 0.1 | -89.2 | -45.4 | 0 | 0 | 0 | 107.6 | ||||
| 1402 | R | 31.1 | Very low | 31 | Very low | 203 Ų | 203 | 160.8 Ų | 160.8 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | cis | -171.8 | 152.9 | 43.4 | -139.3 | 161.9 | -165.2 | -170.9 | 6.2 | 110.6 | ||||
| 1403 | R | 32.4 | Very low | 31.2 | Very low | 220 Ų | 220 | 166.7 Ų | 166.7 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | trans | 61 | 105.7 | 157.9 | -71 | 167.3 | -179 | 179.4 | -1.1 | 120 | ||||
| 1404 | R | 26.4 | Very low | 31.6 | Very low | 250 Ų | 250 | 166 Ų | 166 | 94% | 0.943 | 80% | 0.795 | S | S | * | * | trans | -111.7 | 143.6 | 136.9 | -80.5 | -176.3 | 171.8 | -179.4 | -1.4 | 109.3 | ||||
| 1405 | R | 33 | Very low | 31.9 | Very low | 252 Ų | 252 | 165.5 Ų | 165.5 | 95% | 0.951 | 80% | 0.802 | S | S | * | * | trans | -144.5 | 153 | 153.3 | -97.5 | -165.8 | 176.3 | -169.8 | -0.9 | 108.9 | ||||
| 1406 | P | 40.3 | Very low | 32 | Very low | 111 Ų | 111 | 169.6 Ų | 169.6 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | trans | -97.8 | 161.8 | -161.7 | 37.8 | -36.1 | 0 | 0 | 0 | 114 | ||||
| 1407 | N | 35.4 | Very low | 32.3 | Very low | 158 Ų | 158 | 174 Ų | 174 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | -158.2 | 101.4 | 157.8 | -108.5 | -20.6 | 0 | 0 | 0 | 113.4 | ||||
| 1408 | Q | 35.3 | Very low | 32.4 | Very low | 187 Ų | 187 | 174.5 Ų | 174.5 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | 50.8 | 160.1 | 141 | -75.1 | -156.7 | -2.3 | 0 | 0 | 122.9 | ||||
| 1409 | P | 34.4 | Very low | 32.4 | Very low | 114 Ų | 114 | 177.8 Ų | 177.8 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | trans | -100.5 | 160.5 | -151.3 | 38.4 | -36.1 | 0 | 0 | 0 | 115.3 | ||||
| 1410 | K | 31.8 | Very low | 32.6 | Very low | 202 Ų | 202 | 179.5 Ų | 179.5 | 88% | 0.878 | 83% | 0.825 | S | S | * | * | trans | -134.9 | 131.5 | 162.1 | -71.5 | -172.2 | 177.2 | 179.6 | 0 | 111.8 | ||||
| 1411 | K | 26.9 | Very low | 32.5 | Very low | 202 Ų | 202 | 176 Ų | 176 | 88% | 0.878 | 82% | 0.821 | S | S | * | * | trans | -69.5 | 138.3 | 162.3 | -62.8 | 172.1 | 177.5 | 175.7 | 0 | 108.8 | ||||
| 1412 | I | 33.4 | Very low | 32.4 | Very low | 167 Ų | 167 | 176.9 Ų | 176.9 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | trans | -162 | 156 | 153.6 | -103.2 | 146.7 | 0 | 0 | 0 | 109 | ||||
| 1413 | R | 29.7 | Very low | 32.4 | Very low | 229 Ų | 229 | 176.3 Ų | 176.3 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 150.1 | -170.5 | -60.1 | 168.1 | 175.7 | 156.2 | -4.7 | 112.8 | ||
| 1414 | P | 37 | Very low | 32.1 | Very low | 131 Ų | 131 | 176.4 Ų | 176.4 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 144.3 | 157.7 | 31.8 | -33.4 | 0 | 0 | 0 | 110.6 | ||
| 1415 | S | 32.6 | Very low | 32.4 | Very low | 116 Ų | 116 | 172.1 Ų | 172.1 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 150.1 | -179 | 50.6 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1416 | K | 32.1 | Very low | 32.3 | Very low | 182 Ų | 182 | 165 Ų | 165 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 145.2 | 170.1 | -64.6 | 178.5 | 177.5 | 180 | 0 | 111.2 | ||
| 1417 | K | 33.7 | Very low | 31.9 | Very low | 213 Ų | 213 | 167.2 Ų | 167.2 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | trans | -118.5 | 140.4 | 136.8 | -85.5 | -170 | 173.2 | -176 | 0 | 107.8 | ||||
| 1418 | Q | 32.6 | Very low | 31.5 | Very low | 141 Ų | 141 | 167.6 Ų | 167.6 | 66% | 0.659 | 80% | 0.799 | S | S | * | * | trans | -102.9 | 150.7 | 177.3 | -71 | 163.2 | -106.3 | 0 | 0 | 109.5 | ||||
| 1419 | F | 31.4 | Very low | 31.4 | Very low | 204 Ų | 204 | 164 Ų | 164 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | -127.9 | 153.2 | 136.5 | -98.2 | -84.4 | 0 | 0 | 0 | 109.1 | ||||
| 1420 | T | 32 | Very low | 31.4 | Very low | 116 Ų | 116 | 166.5 Ų | 166.5 | 71% | 0.712 | 80% | 0.801 | S | S | * | * | trans | -48.2 | 135.5 | -175.7 | 38.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1421 | I | 27.3 | Very low | 31.2 | Very low | 138 Ų | 138 | 161.8 Ų | 161.8 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | 67.5 | 91.2 | 56.1 | -56.7 | 171.7 | 0 | 0 | 0 | 112.7 | |||||
| 1422 | Q | 31.7 | Very low | 31.3 | Very low | 178 Ų | 178 | 155.4 Ų | 155.4 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | 169 | 146.6 | 143.7 | -96 | 178.6 | 13.2 | 0 | 0 | 107.4 | ||||
| 1423 | R | 30.5 | Very low | 31.2 | Very low | 192 Ų | 192 | 153.1 Ų | 153.1 | 73% | 0.725 | 78% | 0.784 | S | S | * | * | cis | -156.2 | 140.5 | -15.4 | -177.3 | 177.3 | -178 | 157.2 | -1.6 | 106 | D1426 | R1423-D1426 IonicContact CZ-OD2 3.71Å; R1423-D1426 VanDerWaalsContact CZ-OD2 3.31Å; R1423-D1426 IonicContact NE-OD2 2.82Å; R1423-D1426 PolarHBondContact NE-OD2 3.34Å; R1423-D1426 VanDerWaalsContact NE-OD2 3.14Å; R1423-D1426 IonicContact NH2-OD2 3.56Å; R1423-D1426 PolarHBondContact NH2-OD2 2.91Å | ||
| 1424 | R | 27.6 | Very low | 31.3 | Very low | 221 Ų | 221 | 149.9 Ų | 149.9 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | -132 | 121.4 | 171.8 | -147.7 | -176.3 | -166.7 | -178.9 | 3.3 | 110 | ||||
| 1425 | Q | 32.3 | Very low | 30.9 | Very low | 161 Ų | 161 | 151.2 Ų | 151.2 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | 63.1 | 104 | 165.6 | -69 | 156.7 | -60.1 | 0 | 0 | 118.2 | ||||
| 1426 | D | 30.4 | Very low | 31.1 | Very low | 101 Ų | 101 | 151.2 Ų | 151.2 | 54% | 0.54 | 78% | 0.776 | S | S | . | * | trans | -101.4 | 114.4 | 138.2 | -64 | -77 | 0 | 0 | 0 | 105.4 | R1423 | R1423-D1426 IonicContact CZ-OD2 3.71Å; R1423-D1426 VanDerWaalsContact CZ-OD2 3.31Å; R1423-D1426 IonicContact NE-OD2 2.82Å; R1423-D1426 PolarHBondContact NE-OD2 3.34Å; R1423-D1426 VanDerWaalsContact NE-OD2 3.14Å; R1423-D1426 IonicContact NH2-OD2 3.56Å; R1423-D1426 PolarHBondContact NH2-OD2 2.91Å | ||
| 1427 | I | 31.6 | Very low | 31 | Very low | 158 Ų | 158 | 146.7 Ų | 146.7 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | 95.7 | 152 | 101.1 | -73.7 | 166 | 0 | 0 | 0 | 113.2 | |||||
| 1428 | I | 27.2 | Very low | 30.8 | Very low | 166 Ų | 166 | 142 Ų | 142 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | trans | -126.6 | 130.9 | -156.4 | -62.7 | 162.4 | 0 | 0 | 0 | 113.4 | ||||
| 1429 | S | 32.8 | Very low | 30.7 | Very low | 111 Ų | 111 | 145.2 Ų | 145.2 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -170.2 | 150.4 | 147.1 | 55.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 1430 | I | 35.8 | Very low | 30.8 | Very low | 168 Ų | 168 | 142.7 Ų | 142.7 | 86% | 0.862 | 76% | 0.76 | S | S | * | * | cis | -123.9 | 170 | 26.1 | -71.6 | 159.3 | 0 | 0 | 0 | 110.5 | ||||
| 1431 | A | 26.8 | Very low | 30.6 | Very low | 103 Ų | 103 | 143.9 Ų | 143.9 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | trans | -131.5 | 165.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1432 | G | 29.2 | Very low | 30.8 | Very low | 67 Ų | 67 | 152.7 Ų | 152.7 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | trans | 125.2 | 140.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1433 | T | 31.8 | Very low | 30.8 | Very low | 119 Ų | 119 | 151.4 Ų | 151.4 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | cis | -161.6 | 145.9 | -4.7 | 30.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1434 | E | 30.4 | Very low | 30.8 | Very low | 161 Ų | 161 | 149.3 Ų | 149.3 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | 54.3 | 131.1 | 155.1 | -68.3 | 138.6 | -121.5 | 0 | 0 | 120.5 | ||||
| 1435 | L | 28.8 | Very low | 30.9 | Very low | 159 Ų | 159 | 145.3 Ų | 145.3 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | cis | 78.6 | 154.1 | 46.8 | -68.3 | 172 | 0 | 0 | 0 | 114.7 | ||||
| 1436 | P | 37.1 | Very low | 30.9 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | cis | -142.2 | 169.1 | -29.6 | 38.8 | -21.8 | 0 | 0 | 0 | 116.4 | ||||
| 1437 | A | 30.9 | Very low | 30.9 | Very low | 86 Ų | 86 | 147.1 Ų | 147.1 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | 162 | 133.3 | 145.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1438 | T | 29 | Very low | 30.8 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | cis | 66 | 114.6 | 37.4 | 73.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1439 | Y | 30.6 | Very low | 31.1 | Very low | 209 Ų | 209 | 144.9 Ų | 144.9 | 82% | 0.82 | 80% | 0.797 | S | S | * | * | cis | -161.3 | 163.3 | 45.6 | -86.7 | -94.3 | 0 | 0 | 0 | 109 | ||||
| 1440 | E | 32.8 | Very low | 31 | Very low | 151 Ų | 151 | 147.5 Ų | 147.5 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | cis | -160.6 | -146.6 | -15.3 | -150.9 | -141.4 | 86.2 | 0 | 0 | 110.1 | ||||
| 1441 | N | 28.4 | Very low | 30.6 | Very low | 141 Ų | 141 | 145.8 Ų | 145.8 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | -87.7 | 152.9 | -176.3 | -60.2 | -80.3 | 0 | 0 | 0 | 115.6 | ||||
| 1442 | R | 31 | Very low | 30.9 | Very low | 323 Ų | 323 | 149.7 Ų | 149.7 | 100% | 1.219 | 79% | 0.789 | S | S | * | * | trans | -154.1 | 0 | 135.6 | -143.8 | -179.8 | -163.6 | -170.3 | 5.5 | 112.6 |
Retrieved 1,442 of 1,442 residues in 1980 ms
(Link to these results)