| 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 | 34.7 | Very low | 35.1 | Very low | 94 Ų | 94 | 48.8 Ų | 48.8 | 46% | 0.463 | 24% | 0.242 | S | C | . | . | 0 | -77.5 | 0 | -106.1 | 163.7 | 168.2 | 0 | 0 | 114 | F3 F4 G172 R175 D176 | M1-F3 PolarHBondContact O-N 3.03Å; M1-F4 PolarHBondContact O-N 2.91Å; M1-F4 VanDerWaalsContact O-N 3.15Å; M1-G172 WeakPolarHBondContact CE-O 3.39Å; M1-R175 HydrophobicContact CE-CB 3.7Å; M1-D176 VanDerWaalsContact C-OD2 3.24Å; M1-D176 VanDerWaalsContact CB-OD2 3.22Å; M1-D176 WeakPolarHBondContact CB-OD2 3.26Å; M1-D176 HydrophobicContact CE-CB 4.07Å; M1-D176 HydrophobicContact CG-CB 4.05Å; M1-D176 WeakPolarHBondContact CG-OD2 3.39Å; M1-D176 HydrophobicContact SD-CB 4.25Å | |||
| 2 | N | 25.5 | Very low | 35.4 | Very low | 125 Ų | 125 | 49.6 Ų | 49.6 | 67% | 0.668 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -46.2 | -19.7 | -178.4 | -81.6 | -39.6 | 0 | 0 | 0 | 117.4 | S6 | N2-S6 PolarHBondContact O-N 2.74Š|
| 3 | F | 35.2 | Very low | 35.6 | Very low | 50 Ų | 50 | 51.8 Ų | 51.8 | 22% | 0.219 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -35.2 | -176.8 | -166.6 | -80.5 | 0 | 0 | 0 | 115.2 | M1 F5 S6 K7 D143 R148 | M1-F3 PolarHBondContact O-N 3.03Å; F3-F5 PolarHBondContact O-N 3.24Å; F3-F5 VanDerWaalsContact O-N 3.16Å; F3-S6 WeakPolarHBondContact O-CB 3.25Å; F3-S6 PolarHBondContact O-N 3.19Å; F3-K7 HydrophobicContact CE1-CD 3.74Å; F3-K7 VanDerWaalsContact CE1-CE 3.46Å; F3-K7 HydrophobicContact CE1-CG 3.99Å; F3-K7 HydrophobicContact CZ-CD 4.2Å; F3-K7 VanDerWaalsContact CZ-CE 3.43Å; F3-K7 HydrophobicContact CZ-CG 4.4Å; F3-K7 PolarHBondContact O-N 2.84Å; F3-D143 WeakPolarHBondContact CE1-OD2 3.41Å; F3-D143 WeakPolarHBondContact CZ-OD2 3.42Å; F3-R148 VanDerWaalsContact CZ-CZ 3.47Å |
| 4 | F | 34.6 | Very low | 36 | Very low | 24 Ų | 24 | 48.5 Ų | 48.5 | 11% | 0.105 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -47.9 | -45.7 | 169.5 | -179.4 | -79.2 | 0 | 0 | 0 | 108.2 | M1 K7 T8 Y106 M119 I152 F169 | M1-F4 PolarHBondContact O-N 2.91Å; M1-F4 VanDerWaalsContact O-N 3.15Å; F4-K7 PolarHBondContact O-N 3.42Å; F4-T8 HydrophobicContact CD1-CG2 3.64Å; F4-T8 HydrophobicContact CE1-CG2 3.56Å; F4-T8 HydrophobicContact CZ-CG2 4.32Å; F4-T8 WeakPolarHBondContact O-CG2 2.74Å; F4-T8 PolarHBondContact O-N 3.49Å; F4-T8 PolarHBondContact O-OG1 2.85Å; F4-Y106 HydrophobicContact CZ-CE2 4.09Å; F4-Y106 AromaticContact CZ-CZ 3.81Å; F4-M119 HydrophobicContact CE2-SD 4.43Å; F4-I152 HydrophobicContact CD2-CD1 3.33Å; F4-I152 HydrophobicContact CD2-CG1 3.64Å; F4-I152 HydrophobicContact CD2-CG2 4.23Å; F4-I152 HydrophobicContact CE2-CD1 3.8Å; F4-I152 HydrophobicContact CE2-CG1 4.28Å; F4-I152 HydrophobicContact CE2-CG2 4.17Å; F4-I152 HydrophobicContact CG-CD1 4.48Å; F4-F169 HydrophobicContact CZ-CE2 4.35Å |
| 5 | F | 40.1 | Very low | 36.5 | Very low | 9 Ų | 9 | 46.3 Ų | 46.3 | 4% | 0.039 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -88 | -2.9 | 179.2 | -59.2 | -89.9 | 0 | 0 | 0 | 116.5 | F3 T8 R9 W178 I179 | F3-F5 PolarHBondContact O-N 3.24Å; F3-F5 VanDerWaalsContact O-N 3.16Å; F5-T8 WeakPolarHBondContact CA-OG1 3.44Å; F5-T8 WeakPolarHBondContact CD1-OG1 3.5Å; F5-T8 WeakPolarHBondContact CE1-OG1 3.39Å; F5-T8 WeakPolarHBondContact CG-OG1 3.37Å; F5-R9 VanDerWaalsContact O-CA 3.31Å; F5-R9 WeakPolarHBondContact O-CA 3.14Å; F5-R9 WeakPolarHBondContact O-CB 3.35Å; F5-R9 PolarHBondContact O-N 3.12Å; F5-W178 VanDerWaalsContact CB-CD1 3.45Å; F5-I179 HydrophobicContact CB-CG1 4.36Å; F5-I179 HydrophobicContact CD1-CB 4.36Å; F5-I179 HydrophobicContact CD1-CD1 4.18Å; F5-I179 HydrophobicContact CD1-CG1 3.52Å; F5-I179 HydrophobicContact CD1-CG2 4.29Å; F5-I179 HydrophobicContact CD2-CD1 3.33Å; F5-I179 HydrophobicContact CD2-CG1 3.19Å; F5-I179 HydrophobicContact CE1-CB 4.26Å; F5-I179 HydrophobicContact CE1-CD1 3.73Å; F5-I179 HydrophobicContact CE1-CG1 3.51Å; F5-I179 HydrophobicContact CE1-CG2 3.82Å; F5-I179 HydrophobicContact CE2-CD1 2.81Å; F5-I179 HydrophobicContact CE2-CG1 3.23Å; F5-I179 HydrophobicContact CG-CD1 4.03Å; F5-I179 HydrophobicContact CG-CG1 3.39Å; F5-I179 HydrophobicContact CZ-CB 4.38Å; F5-I179 HydrophobicContact CZ-CD1 3.03Å; F5-I179 HydrophobicContact CZ-CG1 3.37Å; F5-I179 HydrophobicContact CZ-CG2 4.11Å |
| 6 | S | 34.6 | Very low | 36.8 | Very low | 32 Ų | 32 | 45.8 Ų | 45.8 | 22% | 0.224 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.2 | -37.3 | 162.3 | 165.5 | 0 | 0 | 0 | 0 | 110.5 | N2 F3 R9 V10 | N2-S6 PolarHBondContact O-N 2.74Å; F3-S6 WeakPolarHBondContact O-CB 3.25Å; F3-S6 PolarHBondContact O-N 3.19Å; S6-R9 WeakPolarHBondContact O-CB 3.29Å; S6-V10 PolarHBondContact O-N 2.72Å |
| 7 | K | 35.8 | Very low | 37 | Very low | 18 Ų | 18 | 52.6 Ų | 52.6 | 8% | 0.078 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -90.1 | -38.2 | 177.7 | -69.1 | -168.4 | 178.4 | 177.6 | 0 | 112.4 | F3 F4 R9 V10 I11 Y127 D143 | F3-K7 HydrophobicContact CE1-CD 3.74Å; F3-K7 VanDerWaalsContact CE1-CE 3.46Å; F3-K7 HydrophobicContact CE1-CG 3.99Å; F3-K7 HydrophobicContact CZ-CD 4.2Å; F3-K7 VanDerWaalsContact CZ-CE 3.43Å; F3-K7 HydrophobicContact CZ-CG 4.4Å; F3-K7 PolarHBondContact O-N 2.84Å; F4-K7 PolarHBondContact O-N 3.42Å; K7-R9 PolarHBondContact O-N 3.31Å; K7-V10 CarbonylContact O-C 3.57Å; K7-V10 WeakPolarHBondContact O-CA 3.26Å; K7-V10 WeakPolarHBondContact O-CB 3.2Å; K7-V10 PolarHBondContact O-N 2.74Å; K7-I11 PolarHBondContact O-N 3.42Å; K7-Y127 HydrophobicContact CD-CD1 4.01Å; K7-Y127 HydrophobicContact CD-CE1 3.26Å; K7-Y127 PolarHBondContact NZ-OH 2.72Å; K7-D143 IonicContact NZ-OD2 3.22Å |
| 8 | T | 33.3 | Very low | 37.4 | Very low | 12 Ų | 12 | 51.4 Ų | 51.4 | 7% | 0.074 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.1 | -14.3 | 162 | 74 | 0 | 0 | 0 | 0 | 112.3 | F4 F5 V10 I11 E12 | F4-T8 HydrophobicContact CD1-CG2 3.64Å; F4-T8 HydrophobicContact CE1-CG2 3.56Å; F4-T8 HydrophobicContact CZ-CG2 4.32Å; F4-T8 WeakPolarHBondContact O-CG2 2.74Å; F4-T8 PolarHBondContact O-N 3.49Å; F4-T8 PolarHBondContact O-OG1 2.85Å; F5-T8 WeakPolarHBondContact CA-OG1 3.44Å; F5-T8 WeakPolarHBondContact CD1-OG1 3.5Å; F5-T8 WeakPolarHBondContact CE1-OG1 3.39Å; F5-T8 WeakPolarHBondContact CG-OG1 3.37Å; T8-V10 VanDerWaalsContact C-N 3.34Å; T8-I11 HydrophobicContact CG2-CD1 3.82Å; T8-I11 CarbonylContact O-C 3.57Å; T8-I11 VanDerWaalsContact O-C 3.3Å; T8-I11 WeakPolarHBondContact O-CA 3.32Å; T8-I11 PolarHBondContact O-N 2.83Å; T8-E12 WeakPolarHBondContact O-CA 3.04Å; T8-E12 WeakPolarHBondContact O-CB 3.45Å; T8-E12 VanDerWaalsContact O-CG 3.27Å; T8-E12 WeakPolarHBondContact O-CG 3.11Å; T8-E12 PolarHBondContact O-N 2.65Å |
| 9 | R | 38 | Very low | 37.7 | Very low | 110 Ų | 110 | 49.2 Ų | 49.2 | 42% | 0.415 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.8 | -33.2 | 161 | 167.8 | -169.6 | -162.7 | -147.8 | 6.8 | 111.3 | F5 S6 K7 K13 W178 | F5-R9 VanDerWaalsContact O-CA 3.31Å; F5-R9 WeakPolarHBondContact O-CA 3.14Å; F5-R9 WeakPolarHBondContact O-CB 3.35Å; F5-R9 PolarHBondContact O-N 3.12Å; S6-R9 WeakPolarHBondContact O-CB 3.29Å; K7-R9 PolarHBondContact O-N 3.31Å; R9-K13 HydrophobicContact CG-CD 3.93Å; R9-K13 HydrophobicContact CG-CG 4.17Å; R9-K13 WeakPolarHBondContact O-CA 3.44Å; R9-K13 WeakPolarHBondContact O-CB 3.29Å; R9-K13 WeakPolarHBondContact O-CG 3.44Å; R9-K13 PolarHBondContact O-N 3.25Å; R9-W178 HydrophobicContact CG-CZ2 4.49Å |
| 10 | V | 38.7 | Very low | 37.9 | Very low | 52 Ų | 52 | 49.6 Ų | 49.6 | 32% | 0.315 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.9 | -39.2 | 168.4 | -168.7 | 0 | 0 | 0 | 0 | 109 | S6 K7 T8 K13 A14 L130 | S6-V10 PolarHBondContact O-N 2.72Å; K7-V10 CarbonylContact O-C 3.57Å; K7-V10 WeakPolarHBondContact O-CA 3.26Å; K7-V10 WeakPolarHBondContact O-CB 3.2Å; K7-V10 PolarHBondContact O-N 2.74Å; T8-V10 VanDerWaalsContact C-N 3.34Å; V10-K13 CarbonylContact O-C 3.3Å; V10-A14 WeakPolarHBondContact O-CA 3.4Å; V10-A14 WeakPolarHBondContact O-CB 3.47Å; V10-A14 PolarHBondContact O-N 3.18Å; V10-L130 HydrophobicContact CB-CD1 3.76Å; V10-L130 HydrophobicContact CB-CD2 4.39Å; V10-L130 HydrophobicContact CG1-CD1 3.53Å; V10-L130 HydrophobicContact CG1-CD2 3.27Å; V10-L130 HydrophobicContact CG1-CG 4.01Å; V10-L130 HydrophobicContact CG2-CD1 4.07Å |
| 11 | I | 35.7 | Very low | 38.1 | Very low | 11 Ų | 11 | 49.7 Ų | 49.7 | 6% | 0.056 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.5 | -29.9 | 171.4 | -53.4 | 166.2 | 0 | 0 | 0 | 112.8 | K7 T8 A14 N15 F62 I126 | K7-I11 PolarHBondContact O-N 3.42Å; T8-I11 HydrophobicContact CG2-CD1 3.82Å; T8-I11 CarbonylContact O-C 3.57Å; T8-I11 VanDerWaalsContact O-C 3.3Å; T8-I11 WeakPolarHBondContact O-CA 3.32Å; T8-I11 PolarHBondContact O-N 2.83Å; I11-A14 CarbonylContact O-C 3.57Å; I11-N15 HydrophobicContact CG2-CB 4.14Å; I11-N15 WeakPolarHBondContact O-CA 3.29Å; I11-N15 WeakPolarHBondContact O-CB 3.41Å; I11-N15 PolarHBondContact O-N 2.88Å; I11-F62 HydrophobicContact CB-CZ 4.49Å; I11-F62 HydrophobicContact CD1-CE2 4.22Å; I11-F62 HydrophobicContact CD1-CZ 4.45Å; I11-F62 HydrophobicContact CG1-CE2 4.41Å; I11-F62 HydrophobicContact CG1-CZ 4.3Å; I11-F62 HydrophobicContact CG2-CE1 4.17Å; I11-F62 HydrophobicContact CG2-CE2 4.17Å; I11-F62 HydrophobicContact CG2-CZ 3.42Å; I11-F62 VanDerWaalsContact CG2-CZ 3.42Å; I11-I126 HydrophobicContact CD1-CB 4.48Å; I11-I126 HydrophobicContact CD1-CD1 3.07Å; I11-I126 HydrophobicContact CD1-CG1 3.44Å; I11-I126 VanDerWaalsContact CD1-CG1 3.44Å; I11-I126 HydrophobicContact CD1-CG2 4.23Å; I11-I126 HydrophobicContact CG1-CD1 3.98Å; I11-I126 HydrophobicContact CG1-CG1 3.81Å; I11-I126 HydrophobicContact CG1-CG2 3.95Å |
| 12 | E | 38.7 | Very low | 38.4 | Very low | 58 Ų | 58 | 45.4 Ų | 45.4 | 27% | 0.271 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -93.8 | -21.8 | -177.3 | -80.6 | -179.4 | 163.3 | 0 | 0 | 109.4 | T8 G16 A182 L183 | T8-E12 WeakPolarHBondContact O-CA 3.04Å; T8-E12 WeakPolarHBondContact O-CB 3.45Å; T8-E12 VanDerWaalsContact O-CG 3.27Å; T8-E12 WeakPolarHBondContact O-CG 3.11Å; T8-E12 PolarHBondContact O-N 2.65Å; E12-G16 VanDerWaalsContact C-N 3.3Å; E12-G16 WeakPolarHBondContact O-CA 3.44Å; E12-G16 PolarHBondContact O-N 2.8Å; E12-A182 WeakPolarHBondContact OE2-CB 3.49Å; E12-L183 VanDerWaalsContact OE1-CD2 3.28Å; E12-L183 WeakPolarHBondContact OE1-CD2 3.33Å |
| 13 | K | 38.3 | Very low | 39.2 | Very low | 79 Ų | 79 | 42.8 Ų | 42.8 | 34% | 0.343 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -83.8 | -25.2 | 161.1 | -69 | -178.2 | 172.8 | -172.3 | 0 | 111 | R9 V10 R17 | R9-K13 HydrophobicContact CG-CD 3.93Å; R9-K13 HydrophobicContact CG-CG 4.17Å; R9-K13 WeakPolarHBondContact O-CA 3.44Å; R9-K13 WeakPolarHBondContact O-CB 3.29Å; R9-K13 WeakPolarHBondContact O-CG 3.44Å; R9-K13 PolarHBondContact O-N 3.25Å; V10-K13 CarbonylContact O-C 3.3Å; K13-R17 HydrophobicContact CB-CG 4.49Å; K13-R17 WeakPolarHBondContact O-CA 3.4Å; K13-R17 WeakPolarHBondContact O-CB 3.28Å; K13-R17 VanDerWaalsContact O-CG 3.24Å; K13-R17 WeakPolarHBondContact O-CG 3.49Å; K13-R17 PolarHBondContact O-N 3.07Å |
| 14 | A | 40.6 | Very low | 39.5 | Very low | 5 Ų | 5 | 49.2 Ų | 49.2 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -80.2 | -67 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | V10 I11 G16 Q18 V19 F54 M129 | V10-A14 WeakPolarHBondContact O-CA 3.4Å; V10-A14 WeakPolarHBondContact O-CB 3.47Å; V10-A14 PolarHBondContact O-N 3.18Å; I11-A14 CarbonylContact O-C 3.57Å; A14-G16 PolarHBondContact O-N 3.24Å; A14-Q18 HydrophobicContact CB-CG 4.34Å; A14-Q18 WeakPolarHBondContact O-CA 3.38Å; A14-Q18 WeakPolarHBondContact O-CB 3.5Å; A14-Q18 WeakPolarHBondContact O-CG 3.37Å; A14-Q18 PolarHBondContact O-N 3.02Å; A14-V19 PolarHBondContact O-N 2.76Å; A14-F54 HydrophobicContact CB-CE1 3.99Å; A14-F54 HydrophobicContact CB-CE2 4.24Å; A14-F54 HydrophobicContact CB-CZ 3.32Å; A14-M129 HydrophobicContact CB-CE 4.49Å |
| 15 | N | 43.2 | Very low | 40 | Very low | 15 Ų | 15 | 50.4 Ų | 50.4 | 8% | 0.08 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -52.7 | -49.6 | 165.3 | -148.6 | 52.5 | 0 | 0 | 0 | 110.8 | I11 V19 Y50 | I11-N15 HydrophobicContact CG2-CB 4.14Å; I11-N15 WeakPolarHBondContact O-CA 3.29Å; I11-N15 WeakPolarHBondContact O-CB 3.41Å; I11-N15 PolarHBondContact O-N 2.88Å; N15-V19 HydrophobicContact CB-CG2 4.29Å; N15-V19 WeakPolarHBondContact O-CA 2.96Å; N15-V19 WeakPolarHBondContact O-CB 3.36Å; N15-V19 WeakPolarHBondContact O-CG2 3.38Å; N15-V19 PolarHBondContact O-N 3.08Å; N15-V19 WeakPolarHBondContact OD1-CG2 3.2Å; N15-Y50 PolarHBondContact OD1-OH 3.11Å |
| 16 | G | 42.6 | Very low | 40.2 | Very low | 38 Ų | 38 | 50.6 Ų | 50.6 | 39% | 0.392 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -70.5 | -44 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E12 A14 N20 | E12-G16 VanDerWaalsContact C-N 3.3Å; E12-G16 WeakPolarHBondContact O-CA 3.44Å; E12-G16 PolarHBondContact O-N 2.8Å; A14-G16 PolarHBondContact O-N 3.24Å; G16-N20 WeakPolarHBondContact O-CA 3.43Å; G16-N20 WeakPolarHBondContact O-CB 3.4Å; G16-N20 PolarHBondContact O-N 2.94Å |
| 17 | R | 40.2 | Very low | 40.6 | Very low | 162 Ų | 162 | 54.8 Ų | 54.8 | 61% | 0.611 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -80.6 | -39.2 | 175.2 | -58.5 | 176.1 | 165.3 | 166.7 | -9.2 | 113 | K13 N20 V21 | K13-R17 HydrophobicContact CB-CG 4.49Å; K13-R17 WeakPolarHBondContact O-CA 3.4Å; K13-R17 WeakPolarHBondContact O-CB 3.28Å; K13-R17 VanDerWaalsContact O-CG 3.24Å; K13-R17 WeakPolarHBondContact O-CG 3.49Å; K13-R17 PolarHBondContact O-N 3.07Å; R17-N20 CarbonylContact O-C 3.58Å; R17-N20 VanDerWaalsContact O-C 3.24Å; R17-N20 WeakPolarHBondContact O-CA 3.48Å; R17-N20 WeakPolarHBondContact O-CB 3.36Å; R17-N20 PolarHBondContact O-N 3.49Å; R17-V21 WeakPolarHBondContact O-CA 3.33Å; R17-V21 VanDerWaalsContact O-CB 3.31Å; R17-V21 WeakPolarHBondContact O-CB 3.43Å; R17-V21 WeakPolarHBondContact O-CG2 3.21Å; R17-V21 PolarHBondContact O-N 3.38Å |
| 18 | Q | 43.8 | Very low | 41.2 | Very low | 31 Ų | 31 | 62.1 Ų | 62.1 | 15% | 0.145 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -76.2 | -30.4 | 173.1 | -42.3 | -55.8 | 18.4 | 0 | 0 | 112.8 | A14 N20 V21 L22 F53 F54 | A14-Q18 HydrophobicContact CB-CG 4.34Å; A14-Q18 WeakPolarHBondContact O-CA 3.38Å; A14-Q18 WeakPolarHBondContact O-CB 3.5Å; A14-Q18 WeakPolarHBondContact O-CG 3.37Å; A14-Q18 PolarHBondContact O-N 3.02Å; Q18-N20 VanDerWaalsContact C-N 3.3Å; Q18-V21 PolarHBondContact O-N 3.23Å; Q18-L22 WeakPolarHBondContact O-CA 3.38Å; Q18-L22 WeakPolarHBondContact O-CB 3.23Å; Q18-L22 WeakPolarHBondContact O-CD1 3.49Å; Q18-L22 WeakPolarHBondContact O-CG 3.19Å; Q18-L22 PolarHBondContact O-N 2.93Å; Q18-F53 HydrophobicContact CB-CB 4.4Å; Q18-F53 HydrophobicContact CB-CD1 4.46Å; Q18-F53 HydrophobicContact CB-CD2 3.91Å; Q18-F53 HydrophobicContact CB-CE2 4.35Å; Q18-F53 HydrophobicContact CB-CG 3.98Å; Q18-F53 HydrophobicContact CG-CB 3.78Å; Q18-F53 HydrophobicContact CG-CD1 4.22Å; Q18-F53 HydrophobicContact CG-CD2 4.21Å; Q18-F53 HydrophobicContact CG-CG 3.79Å; Q18-F53 VanDerWaalsContact NE2-CB 3.27Å; Q18-F53 PolarHBondContact NE2-O 3.4Å; Q18-F54 HydrophobicContact CG-CE2 3.74Å; Q18-F54 HydrophobicContact CG-CZ 3.61Å |
| 19 | V | 43.5 | Very low | 42 | Very low | 9 Ų | 9 | 67 Ų | 67 | 6% | 0.055 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.7 | -32.7 | 160 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | A14 N15 V21 L22 Y23 L87 | A14-V19 PolarHBondContact O-N 2.76Å; N15-V19 HydrophobicContact CB-CG2 4.29Å; N15-V19 WeakPolarHBondContact O-CA 2.96Å; N15-V19 WeakPolarHBondContact O-CB 3.36Å; N15-V19 WeakPolarHBondContact O-CG2 3.38Å; N15-V19 PolarHBondContact O-N 3.08Å; N15-V19 WeakPolarHBondContact OD1-CG2 3.2Å; V19-V21 VanDerWaalsContact C-N 3.35Å; V19-L22 HydrophobicContact CG2-CD1 4.28Å; V19-Y23 WeakPolarHBondContact O-CA 3.49Å; V19-Y23 WeakPolarHBondContact O-CB 3.41Å; V19-Y23 PolarHBondContact O-N 3.26Å; V19-L87 HydrophobicContact CG1-CD1 3.96Å |
| 20 | N | 41.1 | Very low | 42.6 | Very low | 58 Ų | 58 | 69.9 Ų | 69.9 | 31% | 0.31 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -72.3 | -23.6 | 170.5 | -160 | -80.9 | 0 | 0 | 0 | 113.1 | G16 R17 Q18 Y23 R24 | G16-N20 WeakPolarHBondContact O-CA 3.43Å; G16-N20 WeakPolarHBondContact O-CB 3.4Å; G16-N20 PolarHBondContact O-N 2.94Å; R17-N20 CarbonylContact O-C 3.58Å; R17-N20 VanDerWaalsContact O-C 3.24Å; R17-N20 WeakPolarHBondContact O-CA 3.48Å; R17-N20 WeakPolarHBondContact O-CB 3.36Å; R17-N20 PolarHBondContact O-N 3.49Å; Q18-N20 VanDerWaalsContact C-N 3.3Å; N20-Y23 CarbonylContact O-C 3.24Å; N20-Y23 WeakPolarHBondContact O-CB 3.13Å; N20-Y23 WeakPolarHBondContact O-CD1 3.39Å; N20-R24 WeakPolarHBondContact O-CG 3.43Å; N20-R24 PolarHBondContact O-N 2.93Å |
| 21 | V | 41.5 | Very low | 43.2 | Very low | 51 Ų | 51 | 68.3 Ų | 68.3 | 31% | 0.309 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -93.5 | -36.8 | 179.1 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | R17 Q18 V19 Y23 R24 S25 F53 | R17-V21 WeakPolarHBondContact O-CA 3.33Å; R17-V21 VanDerWaalsContact O-CB 3.31Å; R17-V21 WeakPolarHBondContact O-CB 3.43Å; R17-V21 WeakPolarHBondContact O-CG2 3.21Å; R17-V21 PolarHBondContact O-N 3.38Å; Q18-V21 PolarHBondContact O-N 3.23Å; V19-V21 VanDerWaalsContact C-N 3.35Å; V21-Y23 VanDerWaalsContact C-N 3.28Å; V21-R24 CarbonylContact O-C 3.54Å; V21-R24 PolarHBondContact O-N 2.9Å; V21-S25 WeakPolarHBondContact O-CB 3.49Å; V21-S25 PolarHBondContact O-N 2.86Å; V21-F53 HydrophobicContact CB-CE1 3.65Å; V21-F53 HydrophobicContact CB-CZ 3.67Å; V21-F53 HydrophobicContact CG1-CE1 3.31Å; V21-F53 HydrophobicContact CG1-CZ 3.41Å; V21-F53 VanDerWaalsContact CG1-CZ 3.41Å; V21-F53 HydrophobicContact CG2-CE1 4.45Å |
| 22 | L | 42.7 | Very low | 44 | Very low | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -49.6 | -54.6 | 155.4 | -77.7 | 163.1 | 0 | 0 | 0 | 107.6 | Q18 V19 R24 S25 F26 I49 Y50 F53 | Q18-L22 WeakPolarHBondContact O-CA 3.38Å; Q18-L22 WeakPolarHBondContact O-CB 3.23Å; Q18-L22 WeakPolarHBondContact O-CD1 3.49Å; Q18-L22 WeakPolarHBondContact O-CG 3.19Å; Q18-L22 PolarHBondContact O-N 2.93Å; V19-L22 HydrophobicContact CG2-CD1 4.28Å; L22-R24 PolarHBondContact O-N 3.33Å; L22-S25 CarbonylContact O-C 3.18Å; L22-S25 WeakPolarHBondContact O-CA 3.44Å; L22-S25 PolarHBondContact O-N 2.93Å; L22-F26 HydrophobicContact CB-CD2 4.11Å; L22-F26 HydrophobicContact CD2-CD2 3.7Å; L22-F26 HydrophobicContact CD2-CE2 3.44Å; L22-F26 VanDerWaalsContact CD2-CE2 3.44Å; L22-F26 WeakPolarHBondContact O-CA 3.23Å; L22-F26 WeakPolarHBondContact O-CB 3.45Å; L22-F26 VanDerWaalsContact O-CD2 3.22Å; L22-F26 WeakPolarHBondContact O-CD2 3.45Å; L22-F26 PolarHBondContact O-N 3.05Å; L22-I49 HydrophobicContact CD2-CB 4.08Å; L22-I49 HydrophobicContact CD2-CD1 4.19Å; L22-I49 HydrophobicContact CD2-CG2 3.21Å; L22-I49 HydrophobicContact CG-CG2 4.09Å; L22-Y50 HydrophobicContact CD1-CE2 4.32Å; L22-F53 HydrophobicContact CG-CE2 4.2Å |
| 23 | Y | 41.7 | Very low | 44.8 | Very low | 71 Ų | 71 | 68.3 Ų | 68.3 | 28% | 0.278 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -53 | -51.9 | 172.1 | 166.9 | -83 | 0 | 0 | 0 | 111.1 | V19 N20 V21 S25 F26 Y27 L87 | V19-Y23 WeakPolarHBondContact O-CA 3.49Å; V19-Y23 WeakPolarHBondContact O-CB 3.41Å; V19-Y23 PolarHBondContact O-N 3.26Å; N20-Y23 CarbonylContact O-C 3.24Å; N20-Y23 WeakPolarHBondContact O-CB 3.13Å; N20-Y23 WeakPolarHBondContact O-CD1 3.39Å; V21-Y23 VanDerWaalsContact C-N 3.28Å; Y23-S25 PolarHBondContact O-N 3.11Å; Y23-F26 PolarHBondContact O-N 2.89Å; Y23-Y27 AromaticContact CD2-CD2 3.3Å; Y23-Y27 HydrophobicContact CD2-CD2 3.3Å; Y23-Y27 AromaticContact CD2-CE2 3.7Å; Y23-Y27 HydrophobicContact CD2-CE2 3.7Å; Y23-Y27 AromaticContact CD2-CG 3.98Å; Y23-Y27 HydrophobicContact CD2-CG 3.98Å; Y23-Y27 HydrophobicContact CE2-CD1 4.34Å; Y23-Y27 AromaticContact CE2-CD2 3.21Å; Y23-Y27 HydrophobicContact CE2-CD2 3.21Å; Y23-Y27 HydrophobicContact CE2-CE1 4.33Å; Y23-Y27 AromaticContact CE2-CE2 3.2Å; Y23-Y27 HydrophobicContact CE2-CE2 3.2Å; Y23-Y27 AromaticContact CE2-CG 3.81Å; Y23-Y27 HydrophobicContact CE2-CG 3.81Å; Y23-Y27 AromaticContact CE2-CZ 3.79Å; Y23-Y27 HydrophobicContact CG-CD2 4.09Å; Y23-Y27 HydrophobicContact CG-CG 4.41Å; Y23-Y27 AromaticContact CZ-CD2 3.93Å; Y23-Y27 AromaticContact CZ-CE2 3.99Å; Y23-Y27 WeakPolarHBondContact O-CA 3.38Å; Y23-Y27 WeakPolarHBondContact O-CB 3.41Å; Y23-Y27 PolarHBondContact O-N 2.91Å; Y23-L87 HydrophobicContact CD2-CD1 4.08Å; Y23-L87 HydrophobicContact CD2-CD2 4.13Å |
| 24 | R | 41.8 | Very low | 45.7 | Very low | 184 Ų | 184 | 71.5 Ų | 71.5 | 69% | 0.694 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.5 | -31.8 | 177.8 | -77.7 | 174.2 | 174.1 | 176.2 | -2.9 | 113.2 | N20 V21 L22 | N20-R24 WeakPolarHBondContact O-CG 3.43Å; N20-R24 PolarHBondContact O-N 2.93Å; V21-R24 CarbonylContact O-C 3.54Å; V21-R24 PolarHBondContact O-N 2.9Å; L22-R24 PolarHBondContact O-N 3.33Å |
| 25 | S | 43.6 | Very low | 46.6 | Very low | 50 Ų | 50 | 75 Ų | 75 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -81.8 | -25.4 | 178 | -161.3 | 0 | 0 | 0 | 0 | 113.4 | V21 L22 Y23 D31 | V21-S25 WeakPolarHBondContact O-CB 3.49Å; V21-S25 PolarHBondContact O-N 2.86Å; L22-S25 CarbonylContact O-C 3.18Å; L22-S25 WeakPolarHBondContact O-CA 3.44Å; L22-S25 PolarHBondContact O-N 2.93Å; Y23-S25 PolarHBondContact O-N 3.11Å; S25-D31 WeakPolarHBondContact O-CB 3.06Å |
| 26 | F | 46.1 | Very low | 47.4 | Very low | 12 Ų | 12 | 74.4 Ų | 74.4 | 5% | 0.053 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -113.9 | -20.6 | -172.1 | -80.5 | -74.6 | 0 | 0 | 0 | 113.9 | L22 Y23 R28 F32 I49 F83 | L22-F26 HydrophobicContact CB-CD2 4.11Å; L22-F26 HydrophobicContact CD2-CD2 3.7Å; L22-F26 HydrophobicContact CD2-CE2 3.44Å; L22-F26 VanDerWaalsContact CD2-CE2 3.44Å; L22-F26 WeakPolarHBondContact O-CA 3.23Å; L22-F26 WeakPolarHBondContact O-CB 3.45Å; L22-F26 VanDerWaalsContact O-CD2 3.22Å; L22-F26 WeakPolarHBondContact O-CD2 3.45Å; L22-F26 PolarHBondContact O-N 3.05Å; Y23-F26 PolarHBondContact O-N 2.89Å; F26-R28 CarbonylContact C-O 3.46Å; F26-R28 CarbonylContact O-C 3.53Å; F26-R28 PolarHBondContact O-N 3.2Å; F26-F32 HydrophobicContact CD1-CB 3.79Å; F26-F32 AromaticContact CD1-CD2 3.39Å; F26-F32 HydrophobicContact CD1-CD2 3.39Å; F26-F32 HydrophobicContact CD1-CE2 4.4Å; F26-F32 HydrophobicContact CD1-CG 4.03Å; F26-F32 HydrophobicContact CE1-CB 4.43Å; F26-F32 AromaticContact CE1-CD2 3.59Å; F26-F32 HydrophobicContact CE1-CD2 3.59Å; F26-F32 HydrophobicContact CE1-CE2 4.29Å; F26-F32 HydrophobicContact CE1-CG 4.37Å; F26-F32 HydrophobicContact CG-CD2 4.42Å; F26-I49 HydrophobicContact CE2-CD1 3.6Å; F26-I49 HydrophobicContact CE2-CG1 4.33Å; F26-I49 HydrophobicContact CZ-CD1 3.49Å; F26-I49 VanDerWaalsContact CZ-CD1 3.49Å; F26-I49 HydrophobicContact CZ-CG1 4.43Å; F26-F83 HydrophobicContact CB-CE1 4.25Å; F26-F83 HydrophobicContact CB-CZ 4.01Å; F26-F83 HydrophobicContact CG-CZ 4.34Å |
| 27 | Y | 42.4 | Very low | 48.3 | Very low | 121 Ų | 121 | 77.9 Ų | 77.9 | 48% | 0.475 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -76.2 | -8.1 | -175.9 | -151 | -94.9 | 0 | 0 | 0 | 112.7 | Y23 H29 L87 | Y23-Y27 AromaticContact CD2-CD2 3.3Å; Y23-Y27 HydrophobicContact CD2-CD2 3.3Å; Y23-Y27 AromaticContact CD2-CE2 3.7Å; Y23-Y27 HydrophobicContact CD2-CE2 3.7Å; Y23-Y27 AromaticContact CD2-CG 3.98Å; Y23-Y27 HydrophobicContact CD2-CG 3.98Å; Y23-Y27 HydrophobicContact CE2-CD1 4.34Å; Y23-Y27 AromaticContact CE2-CD2 3.21Å; Y23-Y27 HydrophobicContact CE2-CD2 3.21Å; Y23-Y27 HydrophobicContact CE2-CE1 4.33Å; Y23-Y27 AromaticContact CE2-CE2 3.2Å; Y23-Y27 HydrophobicContact CE2-CE2 3.2Å; Y23-Y27 AromaticContact CE2-CG 3.81Å; Y23-Y27 HydrophobicContact CE2-CG 3.81Å; Y23-Y27 AromaticContact CE2-CZ 3.79Å; Y23-Y27 HydrophobicContact CG-CD2 4.09Å; Y23-Y27 HydrophobicContact CG-CG 4.41Å; Y23-Y27 AromaticContact CZ-CD2 3.93Å; Y23-Y27 AromaticContact CZ-CE2 3.99Å; Y23-Y27 WeakPolarHBondContact O-CA 3.38Å; Y23-Y27 WeakPolarHBondContact O-CB 3.41Å; Y23-Y27 PolarHBondContact O-N 2.91Å; Y27-H29 PolarHBondContact O-N 2.78Å; Y27-L87 HydrophobicContact CD2-CD2 4.1Å; Y27-L87 HydrophobicContact CE2-CD2 3.98Å |
| 28 | R | 49 | Very low | 49.7 | Very low | 172 Ų | 172 | 74 Ų | 74 | 65% | 0.649 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -75.3 | 104.4 | 146.3 | -68.9 | -178.5 | 177.2 | 174 | 2 | 105.2 | F26 K30 D31 F32 | F26-R28 CarbonylContact C-O 3.46Å; F26-R28 CarbonylContact O-C 3.53Å; F26-R28 PolarHBondContact O-N 3.2Å; R28-K30 HydrophobicContact CB-CB 4.43Å; R28-K30 CarbonylContact O-C 3.4Å; R28-K30 PolarHBondContact O-N 3.22Å; R28-D31 HydrophobicContact CB-CB 4.05Å; R28-D31 WeakPolarHBondContact CB-OD2 3.45Å; R28-D31 WeakPolarHBondContact CD-OD2 3.49Å; R28-D31 WeakPolarHBondContact O-CA 3.4Å; R28-D31 WeakPolarHBondContact O-CB 3.28Å; R28-D31 PolarHBondContact O-N 3.43Å; R28-F32 PolarHBondContact O-N 3.42Å |
| 29 | H | 48.8 | Very low | 51.2 | Low | 114 Ų | 114 | 73.7 Ų | 73.7 | 53% | 0.528 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -42.5 | -30.4 | 165 | -177.2 | -50.8 | 0 | 0 | 0 | 111.9 | Y27 V33 F80 | Y27-H29 PolarHBondContact O-N 2.78Å; H29-V33 WeakPolarHBondContact ND1-CG2 3.25Å; H29-V33 WeakPolarHBondContact O-CB 3.37Å; H29-V33 VanDerWaalsContact O-CG2 3.28Å; H29-V33 WeakPolarHBondContact O-CG2 3.05Å; H29-V33 PolarHBondContact O-N 3.31Å; H29-F80 AromaticContact CD2-CZ 3.98Å |
| 30 | K | 50.2 | Low | 53 | Low | 171 Ų | 171 | 76.2 Ų | 76.2 | 74% | 0.743 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63 | -38.4 | 172.3 | -63.3 | -173.3 | 178.4 | -176.8 | 0 | 114.2 | R28 R34 | R28-K30 HydrophobicContact CB-CB 4.43Å; R28-K30 CarbonylContact O-C 3.4Å; R28-K30 PolarHBondContact O-N 3.22Å; K30-R34 WeakPolarHBondContact O-CA 3.49Å; K30-R34 WeakPolarHBondContact O-CB 3.45Å; K30-R34 PolarHBondContact O-N 2.81Å |
| 31 | D | 52.9 | Low | 55 | Low | 18 Ų | 18 | 73.8 Ų | 73.8 | 10% | 0.096 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -75.7 | -40.5 | 179.5 | -63.7 | -16.6 | 0 | 0 | 0 | 110.8 | S25 R28 V33 R34 D35 | S25-D31 WeakPolarHBondContact O-CB 3.06Å; R28-D31 HydrophobicContact CB-CB 4.05Å; R28-D31 WeakPolarHBondContact CB-OD2 3.45Å; R28-D31 WeakPolarHBondContact CD-OD2 3.49Å; R28-D31 WeakPolarHBondContact O-CA 3.4Å; R28-D31 WeakPolarHBondContact O-CB 3.28Å; R28-D31 PolarHBondContact O-N 3.43Å; D31-V33 PolarHBondContact O-N 3.5Å; D31-R34 PolarHBondContact O-N 3.34Å; D31-R34 IonicContact OD1-CZ 3.17Å; D31-R34 VanDerWaalsContact OD1-CZ 3.22Å; D31-R34 IonicContact OD1-NH1 2.83Å; D31-R34 PolarHBondContact OD1-NH1 2.94Å; D31-R34 IonicContact OD1-NH2 2.72Å; D31-R34 PolarHBondContact OD1-NH2 2.84Å; D31-D35 VanDerWaalsContact O-CB 3.26Å; D31-D35 WeakPolarHBondContact O-CB 3.43Å; D31-D35 PolarHBondContact O-N 3.37Å |
| 32 | F | 51.4 | Low | 57.2 | Low | 2 Ų | 2 | 75.8 Ų | 75.8 | 1% | 0.009 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.8 | -49.1 | 170.3 | -174.3 | -90.3 | 0 | 0 | 0 | 111.3 | F26 R28 R34 C36 F80 | F26-F32 HydrophobicContact CD1-CB 3.79Å; F26-F32 AromaticContact CD1-CD2 3.39Å; F26-F32 HydrophobicContact CD1-CD2 3.39Å; F26-F32 HydrophobicContact CD1-CE2 4.4Å; F26-F32 HydrophobicContact CD1-CG 4.03Å; F26-F32 HydrophobicContact CE1-CB 4.43Å; F26-F32 AromaticContact CE1-CD2 3.59Å; F26-F32 HydrophobicContact CE1-CD2 3.59Å; F26-F32 HydrophobicContact CE1-CE2 4.29Å; F26-F32 HydrophobicContact CE1-CG 4.37Å; F26-F32 HydrophobicContact CG-CD2 4.42Å; R28-F32 PolarHBondContact O-N 3.42Å; F32-R34 VanDerWaalsContact C-N 3.34Å; F32-R34 PolarHBondContact O-N 2.98Å; F32-C36 CarbonylContact O-C 3.57Å; F32-C36 VanDerWaalsContact O-CA 3.32Å; F32-C36 WeakPolarHBondContact O-CA 3.49Å; F32-C36 WeakPolarHBondContact O-CB 3.34Å; F32-C36 PolarHBondContact O-N 2.77Å; F32-F80 AromaticContact CD1-CD2 3.78Å; F32-F80 HydrophobicContact CD1-CD2 3.78Å; F32-F80 HydrophobicContact CD1-CE2 4.48Å; F32-F80 HydrophobicContact CE1-CB 3.89Å; F32-F80 AromaticContact CE1-CD2 3.83Å; F32-F80 HydrophobicContact CE1-CD2 3.83Å; F32-F80 HydrophobicContact CE1-CG 4.32Å; F32-F80 HydrophobicContact CG-CD2 4.19Å; F32-F80 HydrophobicContact CZ-CB 4.27Å; F32-F80 HydrophobicContact CZ-CD2 4.31Å |
| 33 | V | 55.2 | Low | 59.3 | Low | 67 Ų | 67 | 78.7 Ų | 78.7 | 41% | 0.406 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.5 | -30.3 | 178.3 | 173.7 | 0 | 0 | 0 | 0 | 112.5 | H29 D31 C36 P37 | H29-V33 WeakPolarHBondContact ND1-CG2 3.25Å; H29-V33 WeakPolarHBondContact O-CB 3.37Å; H29-V33 VanDerWaalsContact O-CG2 3.28Å; H29-V33 WeakPolarHBondContact O-CG2 3.05Å; H29-V33 PolarHBondContact O-N 3.31Å; D31-V33 PolarHBondContact O-N 3.5Å; V33-C36 CarbonylContact O-C 3.59Å; V33-P37 VanDerWaalsContact O-CA 3.3Å; V33-P37 WeakPolarHBondContact O-CA 3.44Å |
| 34 | R | 58.4 | Low | 61.5 | Low | 147 Ų | 147 | 81.1 Ų | 81.1 | 56% | 0.555 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -71.3 | -47.7 | 176.5 | 179 | -168 | 71 | -143.2 | -9.6 | 111.3 | K30 D31 F32 | K30-R34 WeakPolarHBondContact O-CA 3.49Å; K30-R34 WeakPolarHBondContact O-CB 3.45Å; K30-R34 PolarHBondContact O-N 2.81Å; D31-R34 PolarHBondContact O-N 3.34Å; D31-R34 IonicContact OD1-CZ 3.17Å; D31-R34 VanDerWaalsContact OD1-CZ 3.22Å; D31-R34 IonicContact OD1-NH1 2.83Å; D31-R34 PolarHBondContact OD1-NH1 2.94Å; D31-R34 IonicContact OD1-NH2 2.72Å; D31-R34 PolarHBondContact OD1-NH2 2.84Å; F32-R34 VanDerWaalsContact C-N 3.34Å; F32-R34 PolarHBondContact O-N 2.98Å |
| 35 | D | 58.3 | Low | 63.4 | Low | 79 Ų | 79 | 75.7 Ų | 75.7 | 42% | 0.422 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -81.3 | -24.8 | -175 | -59.2 | -15.9 | 0 | 0 | 0 | 110.5 | D31 | D31-D35 VanDerWaalsContact O-CB 3.26Å; D31-D35 WeakPolarHBondContact O-CB 3.43Å; D31-D35 PolarHBondContact O-N 3.37Å |
| 36 | C | 60 | Low | 65.1 | Low | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.007 | 35% | 0.352 | C | S | . | . | trans | -130.9 | 80 | 176.5 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | F32 V33 S38 G39 L40 | F32-C36 CarbonylContact O-C 3.57Å; F32-C36 VanDerWaalsContact O-CA 3.32Å; F32-C36 WeakPolarHBondContact O-CA 3.49Å; F32-C36 WeakPolarHBondContact O-CB 3.34Å; F32-C36 PolarHBondContact O-N 2.77Å; V33-C36 CarbonylContact O-C 3.59Å; C36-S38 PolarHBondContact O-N 3.26Å; C36-S38 VanDerWaalsContact O-N 3.16Å; C36-S38 PolarHBondContact SG-OG 3.47Å; C36-S38 VanDerWaalsContact SG-OG 3.33Å; C36-G39 PolarHBondContact O-N 2.88Å; C36-L40 PolarHBondContact SG-N 3.36Å; C36-L40 PolarHBondContact SG-O 2.94Å | ||
| 37 | P | 62.1 | Low | 67 | Low | 112 Ų | 112 | 74.4 Ų | 74.4 | 73% | 0.727 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -27.4 | -177.4 | -22.9 | 32.7 | 0 | 0 | 0 | 114.3 | V33 G39 | V33-P37 VanDerWaalsContact O-CA 3.3Å; V33-P37 WeakPolarHBondContact O-CA 3.44Å; P37-G39 PolarHBondContact O-N 3.24Å |
| 38 | S | 70.3 | Confident | 68.8 | Low | 81 Ų | 81 | 71.8 Ų | 71.8 | 57% | 0.566 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -18.4 | 175.7 | 52 | 0 | 0 | 0 | 0 | 113.2 | C36 L40 | C36-S38 PolarHBondContact O-N 3.26Å; C36-S38 VanDerWaalsContact O-N 3.16Å; C36-S38 PolarHBondContact SG-OG 3.47Å; C36-S38 VanDerWaalsContact SG-OG 3.33Å; S38-L40 PolarHBondContact O-N 2.91Å; S38-L40 PolarHBondContact OG-N 3.49Å; S38-L40 PolarHBondContact OG-O 3.3Å |
| 39 | G | 73.7 | Confident | 70.1 | Confident | 23 Ų | 23 | 64.6 Ų | 64.6 | 24% | 0.237 | 33% | 0.328 | C | S | . | . | S | Bend | trans | 69.9 | 9 | -166.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | C36 P37 F80 | C36-G39 PolarHBondContact O-N 2.88Å; P37-G39 PolarHBondContact O-N 3.24Å; G39-F80 PolarHBondContact O-N 2.94Å |
| 40 | L | 82.1 | Confident | 71.2 | Confident | 62 Ų | 62 | 59.3 Ų | 59.3 | 33% | 0.325 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 112.4 | -179.1 | -61.8 | 176.1 | 0 | 0 | 0 | 111 | C36 S38 Y77 | C36-L40 PolarHBondContact SG-N 3.36Å; C36-L40 PolarHBondContact SG-O 2.94Å; S38-L40 PolarHBondContact O-N 2.91Å; S38-L40 PolarHBondContact OG-N 3.49Å; S38-L40 PolarHBondContact OG-O 3.3Å; L40-Y77 HydrophobicContact CB-CD1 4.07Å; L40-Y77 HydrophobicContact CB-CG 4.31Å; L40-Y77 HydrophobicContact CD1-CG 4.46Å |
| 41 | L | 82.5 | Confident | 72.6 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 122.7 | 178.5 | -173.6 | 69.4 | 0 | 0 | 0 | 110.2 | E45 F46 I49 I78 | L41-E45 HydrophobicContact CD1-CB 3.49Å; L41-E45 VanDerWaalsContact CD1-CB 3.49Å; L41-E45 HydrophobicContact CG-CB 4.31Å; L41-F46 HydrophobicContact CD2-CB 4.11Å; L41-F46 HydrophobicContact CD2-CD2 3.65Å; L41-F46 HydrophobicContact CD2-CG 4.38Å; L41-F46 HydrophobicContact CG-CB 4.38Å; L41-I49 HydrophobicContact CD1-CD1 4.33Å; L41-I49 HydrophobicContact CD2-CD1 4.35Å; L41-I78 HydrophobicContact CB-CB 4.25Å; L41-I78 PolarHBondContact N-O 2.95Å; L41-I78 PolarHBondContact O-N 3.32Å |
| 42 | K | 87.6 | Confident | 73.6 | Confident | 94 Ų | 94 | 62.8 Ų | 62.8 | 41% | 0.409 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 157.6 | 176.5 | -63.1 | -179.9 | -176.7 | 174.5 | 0 | 111.3 | E44 E45 F46 Y77 | K42-E44 VanDerWaalsContact C-N 3.26Å; K42-E44 PolarHBondContact O-N 2.85Å; K42-E45 HydrophobicContact CB-CG 4.24Å; K42-E45 WeakPolarHBondContact CB-OE2 3.34Å; K42-E45 PolarHBondContact N-OE2 3.31Å; K42-E45 PolarHBondContact O-N 3.1Å; K42-E45 VanDerWaalsContact O-N 3.14Å; K42-F46 PolarHBondContact O-N 2.94Å; K42-Y77 HydrophobicContact CD-CE1 4.49Å; K42-Y77 HydrophobicContact CG-CD1 3.97Å; K42-Y77 HydrophobicContact CG-CE1 3.81Å |
| 43 | R | 87.8 | Confident | 74.5 | Confident | 64 Ų | 64 | 64.7 Ų | 64.7 | 24% | 0.242 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55.2 | -42.1 | 176.5 | -172.8 | 176.2 | -64 | -88.4 | 0.1 | 112.4 | E45 F46 Q47 S64 F67 N68 | R43-E45 VanDerWaalsContact C-N 3.34Å; R43-E45 PolarHBondContact O-N 3.15Å; R43-F46 WeakPolarHBondContact O-CB 3.34Å; R43-F46 PolarHBondContact O-N 3.45Å; R43-Q47 VanDerWaalsContact O-CG 3.31Å; R43-Q47 WeakPolarHBondContact O-CG 3.35Å; R43-Q47 PolarHBondContact O-N 3.44Å; R43-S64 PolarHBondContact NH1-O 3.43Å; R43-S64 VanDerWaalsContact NH1-O 3.11Å; R43-F67 VanDerWaalsContact CA-CE2 3.43Å; R43-F67 HydrophobicContact CB-CD2 4.2Å; R43-F67 HydrophobicContact CB-CE1 4.47Å; R43-F67 HydrophobicContact CB-CE2 3.99Å; R43-F67 HydrophobicContact CB-CZ 4.12Å; R43-F67 HydrophobicContact CG-CD2 4.35Å; R43-F67 HydrophobicContact CG-CG 4.36Å; R43-N68 VanDerWaalsContact CZ-OD1 3.32Å; R43-N68 PolarHBondContact NH1-OD1 2.97Å; R43-N68 PolarHBondContact NH2-OD1 2.84Å |
| 44 | E | 87.9 | Confident | 75.4 | Confident | 122 Ų | 122 | 62.3 Ų | 62.3 | 57% | 0.57 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -65.7 | -38.2 | -179.3 | -61.2 | 72.1 | -154.4 | 0 | 0 | 112 | K42 T48 | K42-E44 VanDerWaalsContact C-N 3.26Å; K42-E44 PolarHBondContact O-N 2.85Å; E44-T48 WeakPolarHBondContact O-CB 3.35Å; E44-T48 PolarHBondContact O-N 3.09Å; E44-T48 PolarHBondContact O-OG1 3.48Å |
| 45 | E | 81.4 | Confident | 76.3 | Confident | 71 Ų | 71 | 60.5 Ų | 60.5 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.8 | -44.7 | 176.3 | -64.4 | 166.9 | 156.6 | 0 | 0 | 109.9 | L41 K42 R43 Q47 T48 I49 | L41-E45 HydrophobicContact CD1-CB 3.49Å; L41-E45 VanDerWaalsContact CD1-CB 3.49Å; L41-E45 HydrophobicContact CG-CB 4.31Å; K42-E45 HydrophobicContact CB-CG 4.24Å; K42-E45 WeakPolarHBondContact CB-OE2 3.34Å; K42-E45 PolarHBondContact N-OE2 3.31Å; K42-E45 PolarHBondContact O-N 3.1Å; K42-E45 VanDerWaalsContact O-N 3.14Å; R43-E45 VanDerWaalsContact C-N 3.34Å; R43-E45 PolarHBondContact O-N 3.15Å; E45-Q47 PolarHBondContact O-N 3.03Å; E45-T48 WeakPolarHBondContact O-CB 3.38Å; E45-T48 PolarHBondContact O-N 3.07Å; E45-T48 VanDerWaalsContact O-N 3.17Å; E45-I49 WeakPolarHBondContact O-CD1 3.38Å; E45-I49 WeakPolarHBondContact O-CG1 3.39Å; E45-I49 PolarHBondContact O-N 3.46Å; E45-I49 VanDerWaalsContact O-N 3.1Å |
| 46 | F | 80.2 | Confident | 77.3 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.009 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57 | -49.3 | 174.4 | -168.9 | -101.8 | 0 | 0 | 0 | 112.4 | L41 K42 R43 T48 I49 Y50 S63 V66 F67 I78 | L41-F46 HydrophobicContact CD2-CB 4.11Å; L41-F46 HydrophobicContact CD2-CD2 3.65Å; L41-F46 HydrophobicContact CD2-CG 4.38Å; L41-F46 HydrophobicContact CG-CB 4.38Å; K42-F46 PolarHBondContact O-N 2.94Å; R43-F46 WeakPolarHBondContact O-CB 3.34Å; R43-F46 PolarHBondContact O-N 3.45Å; F46-T48 VanDerWaalsContact C-N 3.31Å; F46-T48 PolarHBondContact O-N 2.91Å; F46-I49 PolarHBondContact O-N 3.04Å; F46-Y50 HydrophobicContact CD1-CD2 4.19Å; F46-Y50 HydrophobicContact CD1-CE2 4.11Å; F46-Y50 AromaticContact CE1-CD2 3.89Å; F46-Y50 HydrophobicContact CE1-CD2 3.89Å; F46-Y50 AromaticContact CE1-CE2 3.36Å; F46-Y50 HydrophobicContact CE1-CE2 3.36Å; F46-Y50 HydrophobicContact CE2-CE2 4.09Å; F46-Y50 HydrophobicContact CZ-CD2 4.22Å; F46-Y50 AromaticContact CZ-CE2 3.38Å; F46-Y50 HydrophobicContact CZ-CE2 3.38Å; F46-Y50 PolarHBondContact O-N 3.4Å; F46-S63 WeakPolarHBondContact CD1-O 3.28Å; F46-S63 WeakPolarHBondContact CE1-O 3.47Å; F46-V66 HydrophobicContact CE1-CB 4.09Å; F46-V66 HydrophobicContact CE1-CG1 4.16Å; F46-V66 HydrophobicContact CZ-CB 4.21Å; F46-V66 HydrophobicContact CZ-CG1 3.75Å; F46-F67 HydrophobicContact CB-CD2 3.73Å; F46-F67 HydrophobicContact CB-CE2 4.21Å; F46-F67 HydrophobicContact CD1-CB 3.93Å; F46-F67 AromaticContact CD1-CD2 3.97Å; F46-F67 HydrophobicContact CD1-CD2 3.97Å; F46-F67 HydrophobicContact CD1-CG 4.48Å; F46-F67 HydrophobicContact CE1-CB 4.12Å; F46-F67 AromaticContact CG-CD2 3.83Å; F46-F67 HydrophobicContact CG-CD2 3.83Å; F46-I78 HydrophobicContact CD2-CD1 3.78Å; F46-I78 HydrophobicContact CE2-CD1 3.93Å; F46-I78 HydrophobicContact CG-CD1 4.27Å |
| 47 | Q | 84 | Confident | 78.3 | Confident | 33 Ų | 33 | 63.5 Ų | 63.5 | 15% | 0.154 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 176.1 | -71.5 | -174.2 | 1 | 0 | 0 | 112.2 | R43 E45 I49 Y50 R51 S63 S64 | R43-Q47 VanDerWaalsContact O-CG 3.31Å; R43-Q47 WeakPolarHBondContact O-CG 3.35Å; R43-Q47 PolarHBondContact O-N 3.44Å; E45-Q47 PolarHBondContact O-N 3.03Å; Q47-I49 VanDerWaalsContact C-N 3.27Å; Q47-I49 PolarHBondContact O-N 3.28Å; Q47-Y50 PolarHBondContact O-N 3.26Å; Q47-R51 WeakPolarHBondContact O-CG 3.47Å; Q47-R51 PolarHBondContact O-N 3.43Å; Q47-S63 WeakPolarHBondContact CG-OG 3.29Å; Q47-S64 PolarHBondContact NE2-OG 3.04Å |
| 48 | T | 81.3 | Confident | 79.5 | Confident | 66 Ų | 66 | 61.4 Ų | 61.4 | 41% | 0.405 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60 | -40.8 | 178.4 | -64 | 0 | 0 | 0 | 0 | 111 | E44 E45 F46 R51 Q52 | E44-T48 WeakPolarHBondContact O-CB 3.35Å; E44-T48 PolarHBondContact O-N 3.09Å; E44-T48 PolarHBondContact O-OG1 3.48Å; E45-T48 WeakPolarHBondContact O-CB 3.38Å; E45-T48 PolarHBondContact O-N 3.07Å; E45-T48 VanDerWaalsContact O-N 3.17Å; F46-T48 VanDerWaalsContact C-N 3.31Å; F46-T48 PolarHBondContact O-N 2.91Å; T48-R51 PolarHBondContact O-N 3.45Å; T48-Q52 PolarHBondContact O-N 3.18Å |
| 49 | I | 75.6 | Confident | 80.1 | Confident | 21 Ų | 21 | 57.6 Ų | 57.6 | 11% | 0.108 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 177.9 | -58.3 | 148.4 | 0 | 0 | 0 | 110.9 | L22 F26 L41 E45 F46 Q47 R51 Q52 F53 | L22-I49 HydrophobicContact CD2-CB 4.08Å; L22-I49 HydrophobicContact CD2-CD1 4.19Å; L22-I49 HydrophobicContact CD2-CG2 3.21Å; L22-I49 HydrophobicContact CG-CG2 4.09Å; F26-I49 HydrophobicContact CE2-CD1 3.6Å; F26-I49 HydrophobicContact CE2-CG1 4.33Å; F26-I49 HydrophobicContact CZ-CD1 3.49Å; F26-I49 VanDerWaalsContact CZ-CD1 3.49Å; F26-I49 HydrophobicContact CZ-CG1 4.43Å; L41-I49 HydrophobicContact CD1-CD1 4.33Å; L41-I49 HydrophobicContact CD2-CD1 4.35Å; E45-I49 WeakPolarHBondContact O-CD1 3.38Å; E45-I49 WeakPolarHBondContact O-CG1 3.39Å; E45-I49 PolarHBondContact O-N 3.46Å; E45-I49 VanDerWaalsContact O-N 3.1Å; F46-I49 PolarHBondContact O-N 3.04Å; Q47-I49 VanDerWaalsContact C-N 3.27Å; Q47-I49 PolarHBondContact O-N 3.28Å; I49-R51 VanDerWaalsContact C-N 3.29Å; I49-R51 PolarHBondContact O-N 2.93Å; I49-Q52 WeakPolarHBondContact O-CB 3.22Å; I49-Q52 PolarHBondContact O-N 3.14Å; I49-F53 HydrophobicContact CG2-CD2 4.05Å; I49-F53 HydrophobicContact CG2-CE2 3.53Å; I49-F53 WeakPolarHBondContact O-CD2 3.49Å |
| 50 | Y | 72.6 | Confident | 80.9 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.7 | -38.4 | 174.6 | -91.5 | -103.6 | 0 | 0 | 0 | 112.8 | N15 L22 F46 Q47 Q52 F53 F54 P59 F62 M129 | N15-Y50 PolarHBondContact OD1-OH 3.11Å; L22-Y50 HydrophobicContact CD1-CE2 4.32Å; F46-Y50 HydrophobicContact CD1-CD2 4.19Å; F46-Y50 HydrophobicContact CD1-CE2 4.11Å; F46-Y50 AromaticContact CE1-CD2 3.89Å; F46-Y50 HydrophobicContact CE1-CD2 3.89Å; F46-Y50 AromaticContact CE1-CE2 3.36Å; F46-Y50 HydrophobicContact CE1-CE2 3.36Å; F46-Y50 HydrophobicContact CE2-CE2 4.09Å; F46-Y50 HydrophobicContact CZ-CD2 4.22Å; F46-Y50 AromaticContact CZ-CE2 3.38Å; F46-Y50 HydrophobicContact CZ-CE2 3.38Å; F46-Y50 PolarHBondContact O-N 3.4Å; Q47-Y50 PolarHBondContact O-N 3.26Å; Y50-Q52 VanDerWaalsContact C-N 3.28Å; Y50-Q52 PolarHBondContact O-N 2.91Å; Y50-F53 WeakPolarHBondContact O-CB 3.3Å; Y50-F53 PolarHBondContact O-N 3.02Å; Y50-F53 VanDerWaalsContact O-N 3.08Å; Y50-F54 HydrophobicContact CD1-CD2 4.26Å; Y50-F54 HydrophobicContact CD1-CE2 4.13Å; Y50-F54 WeakPolarHBondContact O-CD2 3.18Å; Y50-F54 PolarHBondContact O-N 2.63Å; Y50-P59 HydrophobicContact CD1-CB 4.14Å; Y50-P59 HydrophobicContact CG-CB 4.4Å; Y50-F62 AromaticContact CE1-CD1 3.96Å; Y50-F62 HydrophobicContact CE1-CD1 3.96Å; Y50-F62 HydrophobicContact CE1-CE1 4.12Å; Y50-M129 HydrophobicContact CD1-SD 4.2Å; Y50-M129 HydrophobicContact CE1-SD 4.45Å |
| 51 | R | 79.7 | Confident | 81.2 | Confident | 126 Ų | 126 | 60.6 Ų | 60.6 | 48% | 0.475 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.2 | -33.6 | 177.3 | -74 | 179.8 | -179.4 | 141.9 | 2.2 | 113 | Q47 T48 I49 F53 F54 P59 | Q47-R51 WeakPolarHBondContact O-CG 3.47Å; Q47-R51 PolarHBondContact O-N 3.43Å; T48-R51 PolarHBondContact O-N 3.45Å; I49-R51 VanDerWaalsContact C-N 3.29Å; I49-R51 PolarHBondContact O-N 2.93Å; R51-F53 PolarHBondContact O-N 2.62Å; R51-F54 CarbonylContact O-C 3.42Å; R51-F54 PolarHBondContact O-N 2.81Å; R51-P59 HydrophobicContact CB-CG 4.41Å; R51-P59 HydrophobicContact CG-CG 3.76Å |
| 52 | Q | 74.3 | Confident | 81.4 | Confident | 135 Ų | 135 | 60.2 Ų | 60.2 | 63% | 0.631 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63 | -29.3 | 175.5 | -64.6 | 176.5 | -0.6 | 0 | 0 | 112.1 | T48 I49 Y50 | T48-Q52 PolarHBondContact O-N 3.18Å; I49-Q52 WeakPolarHBondContact O-CB 3.22Å; I49-Q52 PolarHBondContact O-N 3.14Å; Y50-Q52 VanDerWaalsContact C-N 3.28Å; Y50-Q52 PolarHBondContact O-N 2.91Å |
| 53 | F | 70.3 | Confident | 81.3 | Confident | 43 Ų | 43 | 55.8 Ų | 55.8 | 19% | 0.189 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -91.5 | -24.9 | -176.8 | -74.8 | -47.5 | 0 | 0 | 0 | 114.6 | Q18 V21 L22 I49 Y50 R51 P55 | Q18-F53 HydrophobicContact CB-CB 4.4Å; Q18-F53 HydrophobicContact CB-CD1 4.46Å; Q18-F53 HydrophobicContact CB-CD2 3.91Å; Q18-F53 HydrophobicContact CB-CE2 4.35Å; Q18-F53 HydrophobicContact CB-CG 3.98Å; Q18-F53 HydrophobicContact CG-CB 3.78Å; Q18-F53 HydrophobicContact CG-CD1 4.22Å; Q18-F53 HydrophobicContact CG-CD2 4.21Å; Q18-F53 HydrophobicContact CG-CG 3.79Å; Q18-F53 VanDerWaalsContact NE2-CB 3.27Å; Q18-F53 PolarHBondContact NE2-O 3.4Å; V21-F53 HydrophobicContact CB-CE1 3.65Å; V21-F53 HydrophobicContact CB-CZ 3.67Å; V21-F53 HydrophobicContact CG1-CE1 3.31Å; V21-F53 HydrophobicContact CG1-CZ 3.41Å; V21-F53 VanDerWaalsContact CG1-CZ 3.41Å; V21-F53 HydrophobicContact CG2-CE1 4.45Å; L22-F53 HydrophobicContact CG-CE2 4.2Å; I49-F53 HydrophobicContact CG2-CD2 4.05Å; I49-F53 HydrophobicContact CG2-CE2 3.53Å; I49-F53 WeakPolarHBondContact O-CD2 3.49Å; Y50-F53 WeakPolarHBondContact O-CB 3.3Å; Y50-F53 PolarHBondContact O-N 3.02Å; Y50-F53 VanDerWaalsContact O-N 3.08Å; R51-F53 PolarHBondContact O-N 2.62Å; F53-P55 WeakPolarHBondContact O-CD 3.49Å |
| 54 | F | 74.1 | Confident | 81.5 | Confident | 17 Ų | 17 | 53.9 Ų | 53.9 | 8% | 0.075 | 27% | 0.272 | C | S | . | . | trans | -125 | 60.5 | 179.2 | -59.5 | -76.2 | 0 | 0 | 0 | 111 | A14 Q18 Y50 R51 E56 G57 P59 M129 L130 | A14-F54 HydrophobicContact CB-CE1 3.99Å; A14-F54 HydrophobicContact CB-CE2 4.24Å; A14-F54 HydrophobicContact CB-CZ 3.32Å; Q18-F54 HydrophobicContact CG-CE2 3.74Å; Q18-F54 HydrophobicContact CG-CZ 3.61Å; Y50-F54 HydrophobicContact CD1-CD2 4.26Å; Y50-F54 HydrophobicContact CD1-CE2 4.13Å; Y50-F54 WeakPolarHBondContact O-CD2 3.18Å; Y50-F54 PolarHBondContact O-N 2.63Å; R51-F54 CarbonylContact O-C 3.42Å; R51-F54 PolarHBondContact O-N 2.81Å; F54-E56 PolarHBondContact O-N 3.12Å; F54-G57 PolarHBondContact O-N 3.01Å; F54-P59 HydrophobicContact CB-CB 4.44Å; F54-P59 HydrophobicContact CB-CG 4.38Å; F54-P59 HydrophobicContact CD2-CB 4.28Å; F54-M129 HydrophobicContact CB-CG 4.2Å; F54-M129 HydrophobicContact CD1-CG 4Å; F54-M129 HydrophobicContact CD2-CG 3.95Å; F54-M129 HydrophobicContact CD2-SD 3.84Å; F54-M129 HydrophobicContact CE2-CG 4.47Å; F54-M129 HydrophobicContact CE2-SD 3.89Å; F54-M129 HydrophobicContact CG-CG 3.74Å; F54-M129 HydrophobicContact CG-SD 4.23Å; F54-M129 HydrophobicContact CZ-CE 4.41Å; F54-M129 HydrophobicContact CZ-SD 4.33Å; F54-L130 HydrophobicContact CD1-CD2 4.19Å; F54-L130 HydrophobicContact CE1-CD2 4.07Å | ||
| 55 | P | 75.7 | Confident | 81.5 | Confident | 108 Ų | 108 | 49.5 Ų | 49.5 | 70% | 0.701 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -20.9 | -174.8 | 27.5 | -36.1 | 0 | 0 | 0 | 113.7 | F53 | F53-P55 WeakPolarHBondContact O-CD 3.49Š|
| 56 | E | 79.7 | Confident | 81.7 | Confident | 120 Ų | 120 | 46.1 Ų | 46.1 | 56% | 0.561 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -4.8 | -179.2 | -61.7 | -173 | 160.1 | 0 | 0 | 114.3 | F54 | F54-E56 PolarHBondContact O-N 3.12Š|
| 57 | G | 82.1 | Confident | 82 | Confident | 24 Ų | 24 | 46 Ų | 46 | 25% | 0.247 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -129.3 | -172.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F54 M129 | F54-G57 PolarHBondContact O-N 3.01Å; G57-M129 WeakPolarHBondContact CA-O 3.3Å |
| 58 | D | 86.8 | Confident | 82.3 | Confident | 67 Ų | 67 | 47 Ų | 47 | 36% | 0.358 | 24% | 0.242 | S | C | . | . | trans | -118.6 | 99.6 | 176.3 | 174.6 | 19.1 | 0 | 0 | 0 | 110.6 | S60 T128 M129 | D58-S60 PolarHBondContact O-N 3.24Å; D58-S60 WeakPolarHBondContact OD1-CB 3.47Å; D58-S60 PolarHBondContact OD1-N 3.12Å; D58-S60 PolarHBondContact OD1-OG 3.12Å; D58-S60 PolarHBondContact OD2-OG 3.17Å; D58-T128 HydrophobicContact CB-CG2 3.79Å; D58-T128 PolarHBondContact N-O 3.17Å; D58-T128 CarbonylContact O-C 3.54Å; D58-M129 VanDerWaalsContact O-CA 3.26Å; D58-M129 WeakPolarHBondContact O-CA 3.34Å; D58-M129 PolarHBondContact O-N 3.28Å | ||
| 59 | P | 83 | Confident | 82.6 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | trans | -80.3 | -0.2 | -179.5 | 32.5 | -35 | 0 | 0 | 0 | 113.7 | Y50 R51 F54 K61 F62 S63 M129 | Y50-P59 HydrophobicContact CD1-CB 4.14Å; Y50-P59 HydrophobicContact CG-CB 4.4Å; R51-P59 HydrophobicContact CB-CG 4.41Å; R51-P59 HydrophobicContact CG-CG 3.76Å; F54-P59 HydrophobicContact CB-CB 4.44Å; F54-P59 HydrophobicContact CB-CG 4.38Å; F54-P59 HydrophobicContact CD2-CB 4.28Å; P59-K61 PolarHBondContact O-N 3.12Å; P59-F62 PolarHBondContact O-N 2.75Å; P59-S63 VanDerWaalsContact O-CB 3.31Å; P59-S63 WeakPolarHBondContact O-CB 2.87Å; P59-S63 PolarHBondContact O-N 2.77Å; P59-S63 PolarHBondContact O-OG 2.84Å; P59-M129 HydrophobicContact CB-CG 3.79Å; P59-M129 HydrophobicContact CB-SD 3.97Å | ||
| 60 | S | 89.7 | Confident | 83 | Confident | 25 Ų | 25 | 44.1 Ų | 44.1 | 18% | 0.175 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -54 | -49 | -169.5 | 58.9 | 0 | 0 | 0 | 0 | 113.7 | D58 S63 S64 | D58-S60 PolarHBondContact O-N 3.24Å; D58-S60 WeakPolarHBondContact OD1-CB 3.47Å; D58-S60 PolarHBondContact OD1-N 3.12Å; D58-S60 PolarHBondContact OD1-OG 3.12Å; D58-S60 PolarHBondContact OD2-OG 3.17Å; S60-S63 PolarHBondContact O-OG 3.49Å; S60-S63 VanDerWaalsContact O-OG 3.11Å; S60-S64 WeakPolarHBondContact O-CB 3.24Å; S60-S64 PolarHBondContact O-N 3.34Å; S60-S64 VanDerWaalsContact O-N 3.11Å; S60-S64 PolarHBondContact O-OG 2.79Å |
| 61 | K | 90.1 | Very high | 83.8 | Confident | 123 Ų | 123 | 44.3 Ų | 44.3 | 54% | 0.535 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.5 | -51.5 | 177.6 | -70.7 | -167.1 | 175.4 | -167.8 | 0 | 111.8 | P59 S63 S64 F65 A125 | P59-K61 PolarHBondContact O-N 3.12Å; K61-S63 PolarHBondContact O-N 3.31Å; K61-S64 WeakPolarHBondContact O-CB 3.46Å; K61-S64 PolarHBondContact O-N 3Å; K61-F65 HydrophobicContact CB-CE2 4.47Å; K61-F65 VanDerWaalsContact O-CD2 3.31Å; K61-F65 WeakPolarHBondContact O-CD2 3.28Å; K61-F65 PolarHBondContact O-N 2.7Å; K61-F65 VanDerWaalsContact O-N 3.12Å; K61-A125 HydrophobicContact CB-CB 3.73Å |
| 62 | F | 86.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.8 | -45.2 | -176.2 | -176 | -99.1 | 0 | 0 | 0 | 112.2 | I11 Y50 P59 S64 F65 V66 L105 A125 I126 M129 | I11-F62 HydrophobicContact CB-CZ 4.49Å; I11-F62 HydrophobicContact CD1-CE2 4.22Å; I11-F62 HydrophobicContact CD1-CZ 4.45Å; I11-F62 HydrophobicContact CG1-CE2 4.41Å; I11-F62 HydrophobicContact CG1-CZ 4.3Å; I11-F62 HydrophobicContact CG2-CE1 4.17Å; I11-F62 HydrophobicContact CG2-CE2 4.17Å; I11-F62 HydrophobicContact CG2-CZ 3.42Å; I11-F62 VanDerWaalsContact CG2-CZ 3.42Å; Y50-F62 AromaticContact CE1-CD1 3.96Å; Y50-F62 HydrophobicContact CE1-CD1 3.96Å; Y50-F62 HydrophobicContact CE1-CE1 4.12Å; P59-F62 PolarHBondContact O-N 2.75Å; F62-S64 PolarHBondContact O-N 2.66Å; F62-F65 PolarHBondContact O-N 2.79Å; F62-V66 HydrophobicContact CD1-CG2 4.11Å; F62-V66 HydrophobicContact CE1-CG2 3.57Å; F62-V66 HydrophobicContact CE2-CG2 4.5Å; F62-V66 HydrophobicContact CZ-CG2 3.77Å; F62-V66 WeakPolarHBondContact O-CG2 3.38Å; F62-V66 PolarHBondContact O-N 2.97Å; F62-L105 HydrophobicContact CE2-CD2 4.38Å; F62-L105 HydrophobicContact CZ-CD2 4.3Å; F62-A125 HydrophobicContact CB-CB 4.12Å; F62-I126 HydrophobicContact CD2-CG1 3.7Å; F62-I126 HydrophobicContact CE2-CD1 4.45Å; F62-I126 HydrophobicContact CE2-CG1 3.8Å; F62-M129 HydrophobicContact CB-CB 4.4Å; F62-M129 HydrophobicContact CB-SD 3.95Å; F62-M129 HydrophobicContact CD1-CE 3.58Å; F62-M129 HydrophobicContact CD1-SD 3.41Å; F62-M129 WeakPolarHBondContact CD1-SD 3.5Å; F62-M129 HydrophobicContact CE1-CE 3.97Å; F62-M129 HydrophobicContact CE1-SD 4.25Å; F62-M129 HydrophobicContact CG-CE 3.98Å; F62-M129 HydrophobicContact CG-SD 3.89Å |
| 63 | S | 85.3 | Confident | 85.1 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.4 | -29.7 | 174.8 | 56 | 0 | 0 | 0 | 0 | 112.7 | F46 Q47 P59 S60 K61 F67 | F46-S63 WeakPolarHBondContact CD1-O 3.28Å; F46-S63 WeakPolarHBondContact CE1-O 3.47Å; Q47-S63 WeakPolarHBondContact CG-OG 3.29Å; P59-S63 VanDerWaalsContact O-CB 3.31Å; P59-S63 WeakPolarHBondContact O-CB 2.87Å; P59-S63 PolarHBondContact O-N 2.77Å; P59-S63 PolarHBondContact O-OG 2.84Å; S60-S63 PolarHBondContact O-OG 3.49Å; S60-S63 VanDerWaalsContact O-OG 3.11Å; K61-S63 PolarHBondContact O-N 3.31Å; S63-F67 VanDerWaalsContact O-CB 3.3Å; S63-F67 WeakPolarHBondContact O-CB 3.39Å; S63-F67 PolarHBondContact O-N 2.89Å |
| 64 | S | 91.3 | Very high | 86.1 | Confident | 25 Ų | 25 | 44.4 Ų | 44.4 | 18% | 0.175 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68 | -38.1 | 173.4 | -60.5 | 0 | 0 | 0 | 0 | 112.6 | R43 Q47 S60 K61 F62 F67 N68 | R43-S64 PolarHBondContact NH1-O 3.43Å; R43-S64 VanDerWaalsContact NH1-O 3.11Å; Q47-S64 PolarHBondContact NE2-OG 3.04Å; S60-S64 WeakPolarHBondContact O-CB 3.24Å; S60-S64 PolarHBondContact O-N 3.34Å; S60-S64 VanDerWaalsContact O-N 3.11Å; S60-S64 PolarHBondContact O-OG 2.79Å; K61-S64 WeakPolarHBondContact O-CB 3.46Å; K61-S64 PolarHBondContact O-N 3Å; F62-S64 PolarHBondContact O-N 2.66Å; S64-F67 PolarHBondContact O-N 2.93Å; S64-N68 VanDerWaalsContact O-CG 3.24Å; S64-N68 PolarHBondContact O-N 3.13Å; S64-N68 VanDerWaalsContact O-N 3.15Å; S64-N68 PolarHBondContact O-OD1 3.3Å |
| 65 | F | 87.9 | Confident | 87.1 | Confident | 29 Ų | 29 | 47.2 Ų | 47.2 | 13% | 0.127 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.8 | -47.8 | 173.3 | -60.2 | -47.4 | 0 | 0 | 0 | 111.4 | K61 F62 F67 N68 V69 L105 L108 E121 I122 A125 | K61-F65 HydrophobicContact CB-CE2 4.47Å; K61-F65 VanDerWaalsContact O-CD2 3.31Å; K61-F65 WeakPolarHBondContact O-CD2 3.28Å; K61-F65 PolarHBondContact O-N 2.7Å; K61-F65 VanDerWaalsContact O-N 3.12Å; F62-F65 PolarHBondContact O-N 2.79Å; F65-F67 VanDerWaalsContact C-N 3.29Å; F65-F67 PolarHBondContact O-N 3.19Å; F65-N68 WeakPolarHBondContact O-CB 3.5Å; F65-N68 PolarHBondContact O-N 2.92Å; F65-N68 VanDerWaalsContact O-N 3.11Å; F65-V69 PolarHBondContact O-N 2.84Å; F65-L105 HydrophobicContact CB-CD1 3.98Å; F65-L108 HydrophobicContact CD1-CD1 4.44Å; F65-L108 HydrophobicContact CD1-CD2 3.43Å; F65-L108 VanDerWaalsContact CD1-CD2 3.43Å; F65-L108 HydrophobicContact CE1-CD1 3.81Å; F65-L108 HydrophobicContact CE1-CD2 3.67Å; F65-L108 HydrophobicContact CE1-CG 4.4Å; F65-L108 HydrophobicContact CG-CD2 4.04Å; F65-L108 HydrophobicContact CZ-CD1 4.12Å; F65-L108 HydrophobicContact CZ-CD2 4.42Å; F65-E121 HydrophobicContact CZ-CB 4.24Å; F65-I122 HydrophobicContact CB-CD1 3.93Å; F65-I122 HydrophobicContact CD1-CD1 4.31Å; F65-I122 HydrophobicContact CD2-CD1 3.35Å; F65-I122 HydrophobicContact CE2-CD1 3.8Å; F65-I122 HydrophobicContact CG-CD1 3.63Å; F65-I122 HydrophobicContact CZ-CD1 4.45Å; F65-A125 HydrophobicContact CD2-CB 4.1Å; F65-A125 HydrophobicContact CE2-CB 3.68Å |
| 66 | V | 85.3 | Confident | 87.9 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.3 | -41.7 | 176.9 | -179.3 | 0 | 0 | 0 | 0 | 111.1 | F46 F62 N68 V69 F70 W101 L105 | F46-V66 HydrophobicContact CE1-CB 4.09Å; F46-V66 HydrophobicContact CE1-CG1 4.16Å; F46-V66 HydrophobicContact CZ-CB 4.21Å; F46-V66 HydrophobicContact CZ-CG1 3.75Å; F62-V66 HydrophobicContact CD1-CG2 4.11Å; F62-V66 HydrophobicContact CE1-CG2 3.57Å; F62-V66 HydrophobicContact CE2-CG2 4.5Å; F62-V66 HydrophobicContact CZ-CG2 3.77Å; F62-V66 WeakPolarHBondContact O-CG2 3.38Å; F62-V66 PolarHBondContact O-N 2.97Å; V66-N68 VanDerWaalsContact C-N 3.28Å; V66-N68 PolarHBondContact O-N 3.29Å; V66-V69 PolarHBondContact O-N 3.38Å; V66-F70 HydrophobicContact CG1-CD2 3.67Å; V66-F70 HydrophobicContact CG1-CE2 3.5Å; V66-F70 VanDerWaalsContact O-CD2 3.32Å; V66-F70 WeakPolarHBondContact O-CD2 3.37Å; V66-F70 PolarHBondContact O-N 2.96Å; V66-F70 VanDerWaalsContact O-N 3.08Å; V66-W101 HydrophobicContact CG1-CH2 4.42Å; V66-L105 HydrophobicContact CB-CD1 4.46Å; V66-L105 HydrophobicContact CG2-CD1 3.88Å |
| 67 | F | 86.6 | Confident | 88.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.5 | -44.8 | 175.8 | -173.6 | -77.6 | 0 | 0 | 0 | 111.6 | R43 F46 S63 S64 F65 V69 F70 D71 G76 I78 | R43-F67 VanDerWaalsContact CA-CE2 3.43Å; R43-F67 HydrophobicContact CB-CD2 4.2Å; R43-F67 HydrophobicContact CB-CE1 4.47Å; R43-F67 HydrophobicContact CB-CE2 3.99Å; R43-F67 HydrophobicContact CB-CZ 4.12Å; R43-F67 HydrophobicContact CG-CD2 4.35Å; R43-F67 HydrophobicContact CG-CG 4.36Å; F46-F67 HydrophobicContact CB-CD2 3.73Å; F46-F67 HydrophobicContact CB-CE2 4.21Å; F46-F67 HydrophobicContact CD1-CB 3.93Å; F46-F67 AromaticContact CD1-CD2 3.97Å; F46-F67 HydrophobicContact CD1-CD2 3.97Å; F46-F67 HydrophobicContact CD1-CG 4.48Å; F46-F67 HydrophobicContact CE1-CB 4.12Å; F46-F67 AromaticContact CG-CD2 3.83Å; F46-F67 HydrophobicContact CG-CD2 3.83Å; S63-F67 VanDerWaalsContact O-CB 3.3Å; S63-F67 WeakPolarHBondContact O-CB 3.39Å; S63-F67 PolarHBondContact O-N 2.89Å; S64-F67 PolarHBondContact O-N 2.93Å; F65-F67 VanDerWaalsContact C-N 3.29Å; F65-F67 PolarHBondContact O-N 3.19Å; F67-V69 PolarHBondContact O-N 3.45Å; F67-F70 PolarHBondContact O-N 3.48Å; F67-F70 VanDerWaalsContact O-N 3.1Å; F67-D71 HydrophobicContact CD1-CB 4.13Å; F67-D71 HydrophobicContact CE1-CB 3.87Å; F67-D71 WeakPolarHBondContact O-CB 3.4Å; F67-D71 PolarHBondContact O-N 3Å; F67-G76 VanDerWaalsContact CZ-O 3.28Å; F67-G76 WeakPolarHBondContact CZ-O 3.42Å; F67-I78 HydrophobicContact CD2-CD1 3.41Å; F67-I78 VanDerWaalsContact CD2-CD1 3.41Å; F67-I78 HydrophobicContact CD2-CG1 3.87Å; F67-I78 HydrophobicContact CE1-CG1 4.41Å; F67-I78 HydrophobicContact CE2-CD1 3.62Å; F67-I78 HydrophobicContact CE2-CG1 3.6Å; F67-I78 HydrophobicContact CG-CD1 4.04Å; F67-I78 HydrophobicContact CG-CG1 4.39Å; F67-I78 HydrophobicContact CZ-CD1 4.38Å; F67-I78 HydrophobicContact CZ-CG1 3.91Å |
| 68 | N | 90.9 | Very high | 88.6 | Confident | 55 Ų | 55 | 41.2 Ų | 41.2 | 29% | 0.294 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.4 | -26.5 | 179.9 | -66.2 | -3.7 | 0 | 0 | 0 | 113 | R43 S64 F65 V66 K74 | R43-N68 VanDerWaalsContact CZ-OD1 3.32Å; R43-N68 PolarHBondContact NH1-OD1 2.97Å; R43-N68 PolarHBondContact NH2-OD1 2.84Å; S64-N68 VanDerWaalsContact O-CG 3.24Å; S64-N68 PolarHBondContact O-N 3.13Å; S64-N68 VanDerWaalsContact O-N 3.15Å; S64-N68 PolarHBondContact O-OD1 3.3Å; F65-N68 WeakPolarHBondContact O-CB 3.5Å; F65-N68 PolarHBondContact O-N 2.92Å; F65-N68 VanDerWaalsContact O-N 3.11Å; V66-N68 VanDerWaalsContact C-N 3.28Å; V66-N68 PolarHBondContact O-N 3.29Å; N68-K74 PolarHBondContact O-NZ 3.3Å |
| 69 | V | 86.8 | Confident | 88.6 | Confident | 21 Ų | 21 | 39 Ų | 39 | 13% | 0.127 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -80.1 | -33 | 175.4 | -174.5 | 0 | 0 | 0 | 0 | 111.5 | F65 V66 F67 W101 S104 L105 | F65-V69 PolarHBondContact O-N 2.84Å; V66-V69 PolarHBondContact O-N 3.38Å; F67-V69 PolarHBondContact O-N 3.45Å; V69-W101 HydrophobicContact CB-CZ2 4.38Å; V69-W101 HydrophobicContact CG1-CD2 4.34Å; V69-W101 HydrophobicContact CG1-CZ2 3.9Å; V69-S104 WeakPolarHBondContact CG2-O 3.38Å; V69-L105 HydrophobicContact CG2-CB 3.99Å; V69-L105 HydrophobicContact CG2-CD1 3.78Å |
| 70 | F | 84.4 | Confident | 88.5 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 2% | 0.022 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73.5 | -41.6 | 175.9 | -87.1 | -112.4 | 0 | 0 | 0 | 112.1 | V66 F67 V72 I78 E82 F83 A86 W101 | V66-F70 HydrophobicContact CG1-CD2 3.67Å; V66-F70 HydrophobicContact CG1-CE2 3.5Å; V66-F70 VanDerWaalsContact O-CD2 3.32Å; V66-F70 WeakPolarHBondContact O-CD2 3.37Å; V66-F70 PolarHBondContact O-N 2.96Å; V66-F70 VanDerWaalsContact O-N 3.08Å; F67-F70 PolarHBondContact O-N 3.48Å; F67-F70 VanDerWaalsContact O-N 3.1Å; F70-V72 VanDerWaalsContact C-N 3.33Å; F70-V72 PolarHBondContact O-N 3Å; F70-I78 HydrophobicContact CB-CD1 3.47Å; F70-I78 VanDerWaalsContact CB-CD1 3.47Å; F70-I78 HydrophobicContact CB-CG1 3.69Å; F70-I78 HydrophobicContact CB-CG2 4.15Å; F70-I78 HydrophobicContact CD1-CD1 4.23Å; F70-I78 HydrophobicContact CD1-CG2 4.05Å; F70-I78 HydrophobicContact CG-CD1 4.03Å; F70-E82 WeakPolarHBondContact O-CB 3.37Å; F70-F83 HydrophobicContact CD1-CD2 4.24Å; F70-F83 AromaticContact CE1-CD2 3.8Å; F70-F83 HydrophobicContact CE1-CD2 3.8Å; F70-F83 HydrophobicContact CE1-CE2 4.26Å; F70-A86 HydrophobicContact CD1-CB 3.61Å; F70-A86 HydrophobicContact CD2-CB 4.19Å; F70-A86 HydrophobicContact CE1-CB 3.45Å; F70-A86 VanDerWaalsContact CE1-CB 3.45Å; F70-A86 HydrophobicContact CE2-CB 4.07Å; F70-A86 HydrophobicContact CG-CB 4Å; F70-A86 HydrophobicContact CZ-CB 3.7Å; F70-W101 HydrophobicContact CD2-CZ2 4.06Å; F70-W101 HydrophobicContact CE2-CH2 4.3Å; F70-W101 AromaticContact CE2-CZ2 3.65Å; F70-W101 HydrophobicContact CE2-CZ2 3.65Å |
| 71 | D | 89.7 | Confident | 88.3 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.032 | 24% | 0.24 | C | C | . | . | trans | -73.5 | 85 | 174.6 | 178.5 | 6.5 | 0 | 0 | 0 | 109.1 | F67 N73 K74 D75 G76 | F67-D71 HydrophobicContact CD1-CB 4.13Å; F67-D71 HydrophobicContact CE1-CB 3.87Å; F67-D71 WeakPolarHBondContact O-CB 3.4Å; F67-D71 PolarHBondContact O-N 3Å; D71-N73 PolarHBondContact OD1-OD1 3.24Å; D71-K74 WeakPolarHBondContact O-CD 3.01Å; D71-K74 WeakPolarHBondContact O-CE 3.23Å; D71-K74 WeakPolarHBondContact OD1-CA 3.17Å; D71-K74 PolarHBondContact OD1-N 3.07Å; D71-D75 PolarHBondContact OD1-N 2.92Å; D71-G76 VanDerWaalsContact OD2-CA 3.29Å; D71-G76 WeakPolarHBondContact OD2-CA 3.49Å; D71-G76 PolarHBondContact OD2-N 3.05Å | ||
| 72 | V | 89.3 | Confident | 88 | Confident | 93 Ų | 93 | 40.2 Ų | 40.2 | 56% | 0.564 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -75.6 | -38.2 | -174.2 | 175.4 | 0 | 0 | 0 | 0 | 109.9 | F70 K74 E82 | F70-V72 VanDerWaalsContact C-N 3.33Å; F70-V72 PolarHBondContact O-N 3Å; V72-K74 VanDerWaalsContact C-N 3.3Å; V72-E82 HydrophobicContact CB-CG 4.41Å; V72-E82 HydrophobicContact CG2-CG 4.47Å; V72-E82 PolarHBondContact N-OE1 3.31Å |
| 73 | N | 92.4 | Very high | 87.6 | Confident | 94 Ų | 94 | 40.6 Ų | 40.6 | 50% | 0.503 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -82.3 | -7.5 | -179.4 | 73.3 | 7.6 | 0 | 0 | 0 | 113.5 | D71 D75 E82 | D71-N73 PolarHBondContact OD1-OD1 3.24Å; N73-D75 VanDerWaalsContact C-N 3.28Å; N73-D75 PolarHBondContact ND2-OD2 3.44Å; N73-D75 PolarHBondContact O-N 3.41Å; N73-D75 VanDerWaalsContact OD1-CB 3.25Å; N73-D75 WeakPolarHBondContact OD1-CB 3.37Å; N73-D75 PolarHBondContact OD1-N 3.11Å; N73-D75 PolarHBondContact OD1-OD1 3.11Å; N73-D75 PolarHBondContact OD1-OD2 3.29Å; N73-E82 PolarHBondContact N-OE1 2.87Å; N73-E82 PolarHBondContact OD1-OE1 2.96Å |
| 74 | K | 91.8 | Very high | 87.3 | Confident | 120 Ų | 120 | 44 Ų | 44 | 52% | 0.522 | 24% | 0.237 | S | C | . | . | trans | 61.8 | 30.9 | 179.7 | -50.9 | -65.4 | 175 | -179.2 | 0 | 113.2 | N68 D71 V72 G76 | N68-K74 PolarHBondContact O-NZ 3.3Å; D71-K74 WeakPolarHBondContact O-CD 3.01Å; D71-K74 WeakPolarHBondContact O-CE 3.23Å; D71-K74 WeakPolarHBondContact OD1-CA 3.17Å; D71-K74 PolarHBondContact OD1-N 3.07Å; V72-K74 VanDerWaalsContact C-N 3.3Å; K74-G76 VanDerWaalsContact C-N 3.27Å | ||
| 75 | D | 93.8 | Very high | 86.8 | Confident | 76 Ų | 76 | 48 Ų | 48 | 41% | 0.406 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -83 | -4.7 | 179.2 | 75.4 | 15.9 | 0 | 0 | 0 | 113.5 | D71 N73 Y77 | D71-D75 PolarHBondContact OD1-N 2.92Å; N73-D75 VanDerWaalsContact C-N 3.28Å; N73-D75 PolarHBondContact ND2-OD2 3.44Å; N73-D75 PolarHBondContact O-N 3.41Å; N73-D75 VanDerWaalsContact OD1-CB 3.25Å; N73-D75 WeakPolarHBondContact OD1-CB 3.37Å; N73-D75 PolarHBondContact OD1-N 3.11Å; N73-D75 PolarHBondContact OD1-OD1 3.11Å; N73-D75 PolarHBondContact OD1-OD2 3.29Å; D75-Y77 WeakPolarHBondContact O-CD2 3.45Å; D75-Y77 WeakPolarHBondContact OD1-CA 3.45Å; D75-Y77 WeakPolarHBondContact OD1-CB 3.34Å; D75-Y77 WeakPolarHBondContact OD1-CD2 3.4Å; D75-Y77 PolarHBondContact OD1-N 3.28Å |
| 76 | G | 92.7 | Very high | 86.3 | Confident | 32 Ų | 32 | 46.8 Ų | 46.8 | 33% | 0.33 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 88.6 | 6.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | F67 D71 K74 | F67-G76 VanDerWaalsContact CZ-O 3.28Å; F67-G76 WeakPolarHBondContact CZ-O 3.42Å; D71-G76 VanDerWaalsContact OD2-CA 3.29Å; D71-G76 WeakPolarHBondContact OD2-CA 3.49Å; D71-G76 PolarHBondContact OD2-N 3.05Å; K74-G76 VanDerWaalsContact C-N 3.27Å |
| 77 | Y | 92.1 | Very high | 85.6 | Confident | 93 Ų | 93 | 47.3 Ų | 47.3 | 37% | 0.365 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 156.4 | 177.2 | -56.2 | -87.7 | 0 | 0 | 0 | 110.5 | L40 K42 D75 | L40-Y77 HydrophobicContact CB-CD1 4.07Å; L40-Y77 HydrophobicContact CB-CG 4.31Å; L40-Y77 HydrophobicContact CD1-CG 4.46Å; K42-Y77 HydrophobicContact CD-CE1 4.49Å; K42-Y77 HydrophobicContact CG-CD1 3.97Å; K42-Y77 HydrophobicContact CG-CE1 3.81Å; D75-Y77 WeakPolarHBondContact O-CD2 3.45Å; D75-Y77 WeakPolarHBondContact OD1-CA 3.45Å; D75-Y77 WeakPolarHBondContact OD1-CB 3.34Å; D75-Y77 WeakPolarHBondContact OD1-CD2 3.4Å; D75-Y77 PolarHBondContact OD1-N 3.28Å |
| 78 | I | 84.5 | Confident | 85.1 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 109.1 | 164.3 | -59.6 | 168 | 0 | 0 | 0 | 107.1 | L41 F46 F67 F70 E82 F83 | L41-I78 HydrophobicContact CB-CB 4.25Å; L41-I78 PolarHBondContact N-O 2.95Å; L41-I78 PolarHBondContact O-N 3.32Å; F46-I78 HydrophobicContact CD2-CD1 3.78Å; F46-I78 HydrophobicContact CE2-CD1 3.93Å; F46-I78 HydrophobicContact CG-CD1 4.27Å; F67-I78 HydrophobicContact CD2-CD1 3.41Å; F67-I78 VanDerWaalsContact CD2-CD1 3.41Å; F67-I78 HydrophobicContact CD2-CG1 3.87Å; F67-I78 HydrophobicContact CE1-CG1 4.41Å; F67-I78 HydrophobicContact CE2-CD1 3.62Å; F67-I78 HydrophobicContact CE2-CG1 3.6Å; F67-I78 HydrophobicContact CG-CD1 4.04Å; F67-I78 HydrophobicContact CG-CG1 4.39Å; F67-I78 HydrophobicContact CZ-CD1 4.38Å; F67-I78 HydrophobicContact CZ-CG1 3.91Å; F70-I78 HydrophobicContact CB-CD1 3.47Å; F70-I78 VanDerWaalsContact CB-CD1 3.47Å; F70-I78 HydrophobicContact CB-CG1 3.69Å; F70-I78 HydrophobicContact CB-CG2 4.15Å; F70-I78 HydrophobicContact CD1-CD1 4.23Å; F70-I78 HydrophobicContact CD1-CG2 4.05Å; F70-I78 HydrophobicContact CG-CD1 4.03Å; I78-E82 HydrophobicContact CG2-CB 4.26Å; I78-F83 HydrophobicContact CG2-CB 3.99Å |
| 79 | S | 87.1 | Confident | 84.4 | Confident | 20 Ų | 20 | 49.1 Ų | 49.1 | 14% | 0.14 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 159.5 | 172.8 | 69.8 | 0 | 0 | 0 | 0 | 111.5 | E82 F83 | S79-E82 VanDerWaalsContact CB-OE2 3.29Å; S79-E82 WeakPolarHBondContact CB-OE2 3.28Å; S79-E82 PolarHBondContact N-OE2 3.05Å; S79-E82 PolarHBondContact O-N 3.46Å; S79-E82 VanDerWaalsContact OG-CD 3.3Å; S79-E82 WeakPolarHBondContact OG-CG 3.29Å; S79-E82 PolarHBondContact OG-N 3.44Å; S79-E82 PolarHBondContact OG-OE2 2.81Å; S79-F83 PolarHBondContact O-N 2.66Å |
| 80 | F | 80.9 | Confident | 83.7 | Confident | 67 Ų | 67 | 49.7 Ų | 49.7 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -56.8 | -43.8 | 175.2 | -175.4 | -103.2 | 0 | 0 | 0 | 113.4 | H29 F32 G39 E82 F83 I84 | H29-F80 AromaticContact CD2-CZ 3.98Å; F32-F80 AromaticContact CD1-CD2 3.78Å; F32-F80 HydrophobicContact CD1-CD2 3.78Å; F32-F80 HydrophobicContact CD1-CE2 4.48Å; F32-F80 HydrophobicContact CE1-CB 3.89Å; F32-F80 AromaticContact CE1-CD2 3.83Å; F32-F80 HydrophobicContact CE1-CD2 3.83Å; F32-F80 HydrophobicContact CE1-CG 4.32Å; F32-F80 HydrophobicContact CG-CD2 4.19Å; F32-F80 HydrophobicContact CZ-CB 4.27Å; F32-F80 HydrophobicContact CZ-CD2 4.31Å; G39-F80 PolarHBondContact O-N 2.94Å; F80-E82 VanDerWaalsContact C-N 3.35Å; F80-E82 PolarHBondContact O-N 2.93Å; F80-F83 PolarHBondContact O-N 2.81Å; F80-I84 HydrophobicContact CD1-CG1 4.04Å; F80-I84 HydrophobicContact CD2-CG1 4.34Å; F80-I84 HydrophobicContact CE1-CD1 4.18Å; F80-I84 HydrophobicContact CE1-CG1 3.65Å; F80-I84 HydrophobicContact CE2-CD1 3.94Å; F80-I84 HydrophobicContact CE2-CG1 3.98Å; F80-I84 HydrophobicContact CG-CG1 4.38Å; F80-I84 HydrophobicContact CZ-CD1 3.65Å; F80-I84 HydrophobicContact CZ-CG1 3.62Å; F80-I84 VanDerWaalsContact O-CG1 3.3Å; F80-I84 WeakPolarHBondContact O-CG1 3.46Å; F80-I84 PolarHBondContact O-N 3.29Å |
| 81 | P | 85.6 | Confident | 83 | Confident | 92 Ų | 92 | 51.4 Ų | 51.4 | 60% | 0.597 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -57.4 | -43 | 174 | -26.9 | 36.6 | 0 | 0 | 0 | 113.9 | I84 H85 | P81-I84 PolarHBondContact O-N 3.08Å; P81-H85 WeakPolarHBondContact O-CB 3.3Å; P81-H85 PolarHBondContact O-N 2.89Å |
| 82 | E | 83.8 | Confident | 82.3 | Confident | 16 Ų | 16 | 59.6 Ų | 59.6 | 8% | 0.075 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 176.8 | -77.3 | 166.8 | 142.1 | 0 | 0 | 112 | F70 V72 N73 I78 S79 F80 I84 H85 A86 | F70-E82 WeakPolarHBondContact O-CB 3.37Å; V72-E82 HydrophobicContact CB-CG 4.41Å; V72-E82 HydrophobicContact CG2-CG 4.47Å; V72-E82 PolarHBondContact N-OE1 3.31Å; N73-E82 PolarHBondContact N-OE1 2.87Å; N73-E82 PolarHBondContact OD1-OE1 2.96Å; I78-E82 HydrophobicContact CG2-CB 4.26Å; S79-E82 VanDerWaalsContact CB-OE2 3.29Å; S79-E82 WeakPolarHBondContact CB-OE2 3.28Å; S79-E82 PolarHBondContact N-OE2 3.05Å; S79-E82 PolarHBondContact O-N 3.46Å; S79-E82 VanDerWaalsContact OG-CD 3.3Å; S79-E82 WeakPolarHBondContact OG-CG 3.29Å; S79-E82 PolarHBondContact OG-N 3.44Å; S79-E82 PolarHBondContact OG-OE2 2.81Å; F80-E82 VanDerWaalsContact C-N 3.35Å; F80-E82 PolarHBondContact O-N 2.93Å; E82-I84 VanDerWaalsContact C-N 3.35Å; E82-I84 PolarHBondContact O-N 2.9Å; E82-H85 PolarHBondContact O-N 3.41Å; E82-A86 WeakPolarHBondContact O-CB 3.17Å; E82-A86 PolarHBondContact O-N 3.41Å |
| 83 | F | 78.6 | Confident | 81.5 | Confident | 9 Ų | 9 | 55.3 Ų | 55.3 | 4% | 0.039 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.6 | -46.1 | 175 | -178 | -99.9 | 0 | 0 | 0 | 111.8 | F26 F70 I78 S79 F80 L87 | F26-F83 HydrophobicContact CB-CE1 4.25Å; F26-F83 HydrophobicContact CB-CZ 4.01Å; F26-F83 HydrophobicContact CG-CZ 4.34Å; F70-F83 HydrophobicContact CD1-CD2 4.24Å; F70-F83 AromaticContact CE1-CD2 3.8Å; F70-F83 HydrophobicContact CE1-CD2 3.8Å; F70-F83 HydrophobicContact CE1-CE2 4.26Å; I78-F83 HydrophobicContact CG2-CB 3.99Å; S79-F83 PolarHBondContact O-N 2.66Å; F80-F83 PolarHBondContact O-N 2.81Å; F83-L87 HydrophobicContact CE1-CD2 4.37Å; F83-L87 WeakPolarHBondContact O-CB 3.23Å; F83-L87 PolarHBondContact O-N 3.27Å |
| 84 | I | 77.4 | Confident | 81.1 | Confident | 71 Ų | 71 | 53.3 Ų | 53.3 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.8 | -38.9 | 178 | -67.3 | -61.6 | 0 | 0 | 0 | 111.5 | F80 P81 E82 L87 S88 | F80-I84 HydrophobicContact CD1-CG1 4.04Å; F80-I84 HydrophobicContact CD2-CG1 4.34Å; F80-I84 HydrophobicContact CE1-CD1 4.18Å; F80-I84 HydrophobicContact CE1-CG1 3.65Å; F80-I84 HydrophobicContact CE2-CD1 3.94Å; F80-I84 HydrophobicContact CE2-CG1 3.98Å; F80-I84 HydrophobicContact CG-CG1 4.38Å; F80-I84 HydrophobicContact CZ-CD1 3.65Å; F80-I84 HydrophobicContact CZ-CG1 3.62Å; F80-I84 VanDerWaalsContact O-CG1 3.3Å; F80-I84 WeakPolarHBondContact O-CG1 3.46Å; F80-I84 PolarHBondContact O-N 3.29Å; P81-I84 PolarHBondContact O-N 3.08Å; E82-I84 VanDerWaalsContact C-N 3.35Å; E82-I84 PolarHBondContact O-N 2.9Å; I84-L87 PolarHBondContact O-N 2.94Å; I84-S88 WeakPolarHBondContact O-CB 3.38Å; I84-S88 PolarHBondContact O-N 3.47Å |
| 85 | H | 81.2 | Confident | 80.6 | Confident | 109 Ų | 109 | 49.8 Ų | 49.8 | 51% | 0.505 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.4 | -53.2 | 177.8 | -179.2 | 68.2 | 0 | 0 | 0 | 111.7 | P81 E82 L87 S88 I89 | P81-H85 WeakPolarHBondContact O-CB 3.3Å; P81-H85 PolarHBondContact O-N 2.89Å; E82-H85 PolarHBondContact O-N 3.41Å; H85-L87 VanDerWaalsContact C-N 3.26Å; H85-L87 PolarHBondContact O-N 3.09Å; H85-S88 WeakPolarHBondContact O-CB 3.32Å; H85-S88 PolarHBondContact O-N 2.8Å; H85-S88 VanDerWaalsContact O-N 3.1Å; H85-I89 WeakPolarHBondContact NE2-CD1 3.45Å; H85-I89 PolarHBondContact O-N 2.92Å; H85-I89 VanDerWaalsContact O-N 3.15Å |
| 86 | A | 77.3 | Confident | 80.3 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 3% | 0.025 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.4 | -38.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F70 E82 T90 | F70-A86 HydrophobicContact CD1-CB 3.61Å; F70-A86 HydrophobicContact CD2-CB 4.19Å; F70-A86 HydrophobicContact CE1-CB 3.45Å; F70-A86 VanDerWaalsContact CE1-CB 3.45Å; F70-A86 HydrophobicContact CE2-CB 4.07Å; F70-A86 HydrophobicContact CG-CB 4Å; F70-A86 HydrophobicContact CZ-CB 3.7Å; E82-A86 WeakPolarHBondContact O-CB 3.17Å; E82-A86 PolarHBondContact O-N 3.41Å; A86-T90 WeakPolarHBondContact O-CB 2.74Å; A86-T90 WeakPolarHBondContact O-CG2 3.09Å; A86-T90 PolarHBondContact O-N 2.93Å; A86-T90 PolarHBondContact O-OG1 3.16Å |
| 87 | L | 72 | Confident | 79.9 | Confident | 12 Ų | 12 | 52 Ų | 52 | 6% | 0.063 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 175.2 | -178.6 | 63.1 | 0 | 0 | 0 | 112.2 | V19 Y23 Y27 F83 I84 H85 I89 T90 S91 | V19-L87 HydrophobicContact CG1-CD1 3.96Å; Y23-L87 HydrophobicContact CD2-CD1 4.08Å; Y23-L87 HydrophobicContact CD2-CD2 4.13Å; Y27-L87 HydrophobicContact CD2-CD2 4.1Å; Y27-L87 HydrophobicContact CE2-CD2 3.98Å; F83-L87 HydrophobicContact CE1-CD2 4.37Å; F83-L87 WeakPolarHBondContact O-CB 3.23Å; F83-L87 PolarHBondContact O-N 3.27Å; I84-L87 PolarHBondContact O-N 2.94Å; H85-L87 VanDerWaalsContact C-N 3.26Å; H85-L87 PolarHBondContact O-N 3.09Å; L87-I89 VanDerWaalsContact C-N 3.33Å; L87-I89 PolarHBondContact O-N 3.42Å; L87-T90 WeakPolarHBondContact CA-OG1 3.39Å; L87-T90 PolarHBondContact O-N 2.74Å; L87-T90 PolarHBondContact O-OG1 2.98Å; L87-S91 VanDerWaalsContact O-CB 3.24Å; L87-S91 WeakPolarHBondContact O-CB 3.27Å; L87-S91 PolarHBondContact O-N 3.34Å; L87-S91 PolarHBondContact O-OG 3.4Å |
| 88 | S | 76 | Confident | 79.4 | Confident | 65 Ų | 65 | 48.4 Ų | 48.4 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.6 | -46.8 | 179 | -174.4 | 0 | 0 | 0 | 0 | 111 | I84 H85 R92 G93 | I84-S88 WeakPolarHBondContact O-CB 3.38Å; I84-S88 PolarHBondContact O-N 3.47Å; H85-S88 WeakPolarHBondContact O-CB 3.32Å; H85-S88 PolarHBondContact O-N 2.8Å; H85-S88 VanDerWaalsContact O-N 3.1Å; S88-R92 WeakPolarHBondContact O-CA 3.16Å; S88-R92 PolarHBondContact O-N 3.16Å; S88-G93 PolarHBondContact O-N 3.44Å; S88-G93 VanDerWaalsContact O-N 3.14Å |
| 89 | I | 74.3 | Confident | 79.5 | Confident | 27 Ų | 27 | 48.7 Ų | 48.7 | 14% | 0.138 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.5 | -52.6 | 178.7 | -65.6 | 164.9 | 0 | 0 | 0 | 110.9 | H85 L87 S91 G93 E97 K98 W101 | H85-I89 WeakPolarHBondContact NE2-CD1 3.45Å; H85-I89 PolarHBondContact O-N 2.92Å; H85-I89 VanDerWaalsContact O-N 3.15Å; L87-I89 VanDerWaalsContact C-N 3.33Å; L87-I89 PolarHBondContact O-N 3.42Å; I89-S91 VanDerWaalsContact C-N 3.3Å; I89-S91 PolarHBondContact O-N 3.34Å; I89-G93 WeakPolarHBondContact O-CA 3.12Å; I89-G93 PolarHBondContact O-N 2.67Å; I89-E97 HydrophobicContact CG2-CB 4.06Å; I89-E97 WeakPolarHBondContact CG2-O 3.49Å; I89-K98 WeakPolarHBondContact O-CG 2.95Å; I89-W101 HydrophobicContact CG2-CB 3.75Å; I89-W101 HydrophobicContact CG2-CG 4.16Å |
| 90 | T | 72.8 | Confident | 79.6 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 21% | 0.209 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.2 | -29.3 | -174.6 | 53.2 | 0 | 0 | 0 | 0 | 113.3 | A86 L87 K98 W101 | A86-T90 WeakPolarHBondContact O-CB 2.74Å; A86-T90 WeakPolarHBondContact O-CG2 3.09Å; A86-T90 PolarHBondContact O-N 2.93Å; A86-T90 PolarHBondContact O-OG1 3.16Å; L87-T90 WeakPolarHBondContact CA-OG1 3.39Å; L87-T90 PolarHBondContact O-N 2.74Å; L87-T90 PolarHBondContact O-OG1 2.98Å; T90-K98 WeakPolarHBondContact O-CE 3.44Å; T90-W101 HydrophobicContact CG2-CD2 3.85Å; T90-W101 HydrophobicContact CG2-CE3 3.9Å; T90-W101 HydrophobicContact CG2-CG 4.45Å; T90-W101 HydrophobicContact CG2-CH2 4.29Å; T90-W101 HydrophobicContact CG2-CZ2 4.23Å; T90-W101 HydrophobicContact CG2-CZ3 4.12Å |
| 91 | S | 70.3 | Confident | 79.7 | Confident | 40 Ų | 40 | 49.9 Ų | 49.9 | 28% | 0.28 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -93.1 | -44.7 | -178.7 | 65.4 | 0 | 0 | 0 | 0 | 114.3 | L87 I89 N187 | L87-S91 VanDerWaalsContact O-CB 3.24Å; L87-S91 WeakPolarHBondContact O-CB 3.27Å; L87-S91 PolarHBondContact O-N 3.34Å; L87-S91 PolarHBondContact O-OG 3.4Å; I89-S91 VanDerWaalsContact C-N 3.3Å; I89-S91 PolarHBondContact O-N 3.34Å; S91-N187 PolarHBondContact O-OD1 3.11Å |
| 92 | R | 74.6 | Confident | 79.7 | Confident | 179 Ų | 179 | 46.8 Ų | 46.8 | 68% | 0.675 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -121.9 | -6 | -170 | -64 | 176.8 | -173 | -179.5 | 2.6 | 113.5 | S88 | S88-R92 WeakPolarHBondContact O-CA 3.16Å; S88-R92 PolarHBondContact O-N 3.16Å |
| 93 | G | 73.2 | Confident | 79.9 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | trans | -57.8 | 148.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S88 I89 E97 K98 | S88-G93 PolarHBondContact O-N 3.44Å; S88-G93 VanDerWaalsContact O-N 3.14Å; I89-G93 WeakPolarHBondContact O-CA 3.12Å; I89-G93 PolarHBondContact O-N 2.67Å; G93-E97 WeakPolarHBondContact CA-OE2 3.31Å; G93-K98 WeakPolarHBondContact O-CE 3.35Å; G93-K98 PolarHBondContact O-NZ 3.1Å | ||
| 94 | S | 83.6 | Confident | 80.5 | Confident | 52 Ų | 52 | 48.4 Ų | 48.4 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | trans | -53.8 | 164.5 | 161.8 | 65 | 0 | 0 | 0 | 0 | 110.7 | D96 E97 K98 | S94-D96 PolarHBondContact O-N 3.02Å; S94-E97 VanDerWaalsContact CB-OE2 3.29Å; S94-E97 WeakPolarHBondContact CB-OE2 3.28Å; S94-E97 PolarHBondContact N-OE2 3.49Å; S94-E97 PolarHBondContact O-N 3.18Å; S94-E97 VanDerWaalsContact OG-CG 3.32Å; S94-E97 WeakPolarHBondContact OG-CG 2.84Å; S94-E97 PolarHBondContact OG-N 2.89Å; S94-E97 PolarHBondContact OG-OE2 2.97Å; S94-K98 WeakPolarHBondContact O-CG 3.12Å; S94-K98 PolarHBondContact O-N 3.15Å | ||
| 95 | I | 80.9 | Confident | 81 | Confident | 46 Ų | 46 | 45.6 Ų | 45.6 | 24% | 0.236 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.8 | -37.7 | 174.2 | -69.3 | 165.2 | 0 | 0 | 0 | 110.2 | K98 L99 V180 L183 | I95-K98 PolarHBondContact O-N 3.33Å; I95-L99 HydrophobicContact CG2-CD1 3.75Å; I95-L99 HydrophobicContact CG2-CG 4.25Å; I95-L99 WeakPolarHBondContact O-CB 2.88Å; I95-L99 VanDerWaalsContact O-CG 3.23Å; I95-L99 WeakPolarHBondContact O-CG 3.05Å; I95-L99 PolarHBondContact O-N 3.26Å; I95-V180 HydrophobicContact CD1-CG1 4.06Å; I95-L183 HydrophobicContact CG1-CB 4.22Å; I95-L183 HydrophobicContact CG2-CD1 3.99Å |
| 96 | D | 87.5 | Confident | 81.3 | Confident | 64 Ų | 64 | 41 Ų | 41 | 34% | 0.342 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -71.4 | -47 | -175.4 | -66.2 | 1.6 | 0 | 0 | 0 | 110.7 | S94 K98 L99 E100 K174 | S94-D96 PolarHBondContact O-N 3.02Å; D96-K98 VanDerWaalsContact C-N 3.28Å; D96-K98 PolarHBondContact O-N 2.9Å; D96-L99 PolarHBondContact O-N 3.3Å; D96-L99 VanDerWaalsContact O-N 3.12Å; D96-E100 WeakPolarHBondContact O-CB 3.45Å; D96-E100 WeakPolarHBondContact O-CG 2.93Å; D96-E100 PolarHBondContact O-N 3.32Å; D96-K174 WeakPolarHBondContact OD1-CE 3.2Å; D96-K174 IonicContact OD1-NZ 2.65Å; D96-K174 PolarHBondContact OD1-NZ 3.08Å; D96-K174 IonicContact OD2-NZ 2.88Å; D96-K174 PolarHBondContact OD2-NZ 3.29Å |
| 97 | E | 84.6 | Confident | 82 | Confident | 91 Ų | 91 | 41.4 Ų | 41.4 | 43% | 0.425 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.8 | -39.7 | 174 | -69.6 | 163.5 | 121.5 | 0 | 0 | 111.9 | I89 G93 S94 E100 W101 | I89-E97 HydrophobicContact CG2-CB 4.06Å; I89-E97 WeakPolarHBondContact CG2-O 3.49Å; G93-E97 WeakPolarHBondContact CA-OE2 3.31Å; S94-E97 VanDerWaalsContact CB-OE2 3.29Å; S94-E97 WeakPolarHBondContact CB-OE2 3.28Å; S94-E97 PolarHBondContact N-OE2 3.49Å; S94-E97 PolarHBondContact O-N 3.18Å; S94-E97 VanDerWaalsContact OG-CG 3.32Å; S94-E97 WeakPolarHBondContact OG-CG 2.84Å; S94-E97 PolarHBondContact OG-N 2.89Å; S94-E97 PolarHBondContact OG-OE2 2.97Å; E97-E100 PolarHBondContact O-N 3.21Å; E97-W101 WeakPolarHBondContact O-CB 3.42Å; E97-W101 PolarHBondContact O-N 2.92Å |
| 98 | K | 81.1 | Confident | 83 | Confident | 16 Ų | 16 | 43.3 Ų | 43.3 | 7% | 0.07 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.4 | -39.2 | 176.4 | -72.7 | 169.3 | 176.4 | 151.7 | 0 | 112.3 | I89 T90 G93 S94 I95 D96 A102 L183 N187 | I89-K98 WeakPolarHBondContact O-CG 2.95Å; T90-K98 WeakPolarHBondContact O-CE 3.44Å; G93-K98 WeakPolarHBondContact O-CE 3.35Å; G93-K98 PolarHBondContact O-NZ 3.1Å; S94-K98 WeakPolarHBondContact O-CG 3.12Å; S94-K98 PolarHBondContact O-N 3.15Å; I95-K98 PolarHBondContact O-N 3.33Å; D96-K98 VanDerWaalsContact C-N 3.28Å; D96-K98 PolarHBondContact O-N 2.9Å; K98-A102 WeakPolarHBondContact O-CB 3.41Å; K98-A102 PolarHBondContact O-N 3.11Å; K98-L183 HydrophobicContact CB-CD2 4.1Å; K98-L183 HydrophobicContact CD-CB 4.4Å; K98-L183 HydrophobicContact CD-CD2 4.18Å; K98-L183 PolarHBondContact NZ-O 3.04Å; K98-N187 PolarHBondContact NZ-OD1 3.35Å |
| 99 | L | 86.2 | Confident | 83.9 | Confident | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.4 | -37.3 | 177.2 | -72.8 | 173.4 | 0 | 0 | 0 | 111.6 | I95 D96 A102 F103 F169 I170 K174 I179 L183 | I95-L99 HydrophobicContact CG2-CD1 3.75Å; I95-L99 HydrophobicContact CG2-CG 4.25Å; I95-L99 WeakPolarHBondContact O-CB 2.88Å; I95-L99 VanDerWaalsContact O-CG 3.23Å; I95-L99 WeakPolarHBondContact O-CG 3.05Å; I95-L99 PolarHBondContact O-N 3.26Å; D96-L99 PolarHBondContact O-N 3.3Å; D96-L99 VanDerWaalsContact O-N 3.12Å; L99-A102 PolarHBondContact O-N 3.33Å; L99-F103 WeakPolarHBondContact O-CB 3.47Å; L99-F103 PolarHBondContact O-N 3.18Å; L99-F169 HydrophobicContact CD2-CE1 4.42Å; L99-F169 WeakPolarHBondContact O-CE1 2.76Å; L99-I170 HydrophobicContact CB-CG1 4.09Å; L99-I170 HydrophobicContact CD1-CG2 4.1Å; L99-K174 HydrophobicContact CD1-CG 4.06Å; L99-I179 HydrophobicContact CD2-CG2 4.38Å; L99-L183 HydrophobicContact CD1-CD1 4.48Å; L99-L183 HydrophobicContact CD2-CD1 3.68Å; L99-L183 HydrophobicContact CG-CD1 3.82Å |
| 100 | E | 89.5 | Confident | 84.8 | Confident | 85 Ų | 85 | 47.5 Ų | 47.5 | 40% | 0.397 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 173.7 | -73.7 | 177.8 | -162.5 | 0 | 0 | 112 | D96 E97 A102 F103 S104 K166 I170 | D96-E100 WeakPolarHBondContact O-CB 3.45Å; D96-E100 WeakPolarHBondContact O-CG 2.93Å; D96-E100 PolarHBondContact O-N 3.32Å; E97-E100 PolarHBondContact O-N 3.21Å; E100-A102 VanDerWaalsContact C-N 3.34Å; E100-F103 WeakPolarHBondContact O-CB 3.44Å; E100-F103 PolarHBondContact O-N 3.38Å; E100-S104 PolarHBondContact O-N 2.96Å; E100-S104 PolarHBondContact O-OG 2.88Å; E100-K166 HydrophobicContact CG-CD 4.33Å; E100-I170 HydrophobicContact CG-CD1 3.98Å |
| 101 | W | 83.8 | Confident | 85.9 | Confident | 28 Ų | 28 | 50 Ų | 50 | 11% | 0.106 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 173.8 | -171.7 | 87.5 | 0 | 0 | 0 | 111.5 | V66 V69 F70 I89 T90 E97 F103 S104 L105 | V66-W101 HydrophobicContact CG1-CH2 4.42Å; V69-W101 HydrophobicContact CB-CZ2 4.38Å; V69-W101 HydrophobicContact CG1-CD2 4.34Å; V69-W101 HydrophobicContact CG1-CZ2 3.9Å; F70-W101 HydrophobicContact CD2-CZ2 4.06Å; F70-W101 HydrophobicContact CE2-CH2 4.3Å; F70-W101 AromaticContact CE2-CZ2 3.65Å; F70-W101 HydrophobicContact CE2-CZ2 3.65Å; I89-W101 HydrophobicContact CG2-CB 3.75Å; I89-W101 HydrophobicContact CG2-CG 4.16Å; T90-W101 HydrophobicContact CG2-CD2 3.85Å; T90-W101 HydrophobicContact CG2-CE3 3.9Å; T90-W101 HydrophobicContact CG2-CG 4.45Å; T90-W101 HydrophobicContact CG2-CH2 4.29Å; T90-W101 HydrophobicContact CG2-CZ2 4.23Å; T90-W101 HydrophobicContact CG2-CZ3 4.12Å; E97-W101 WeakPolarHBondContact O-CB 3.42Å; E97-W101 PolarHBondContact O-N 2.92Å; W101-F103 VanDerWaalsContact C-N 3.35Å; W101-S104 PolarHBondContact O-N 3.02Å; W101-L105 HydrophobicContact CZ3-CD2 4.46Å; W101-L105 PolarHBondContact O-N 3.37Å |
| 102 | A | 85.1 | Confident | 87.1 | Confident | 27 Ų | 27 | 49.7 Ų | 49.7 | 22% | 0.223 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | K98 L99 E100 S104 L105 Y106 F169 | K98-A102 WeakPolarHBondContact O-CB 3.41Å; K98-A102 PolarHBondContact O-N 3.11Å; L99-A102 PolarHBondContact O-N 3.33Å; E100-A102 VanDerWaalsContact C-N 3.34Å; A102-S104 VanDerWaalsContact C-N 3.3Å; A102-S104 PolarHBondContact O-N 3.13Å; A102-L105 WeakPolarHBondContact O-CB 2.89Å; A102-L105 PolarHBondContact O-N 2.8Å; A102-L105 VanDerWaalsContact O-N 3.11Å; A102-Y106 WeakPolarHBondContact O-CD2 2.85Å; A102-Y106 PolarHBondContact O-N 3.15Å; A102-F169 HydrophobicContact CB-CE1 4.35Å; A102-F169 HydrophobicContact CB-CZ 4.36Å |
| 103 | F | 88.6 | Confident | 88.2 | Confident | 3 Ų | 3 | 45 Ų | 45 | 1% | 0.013 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.6 | -47.4 | 174.2 | -178.4 | -86.6 | 0 | 0 | 0 | 110.9 | L99 E100 W101 L105 Y106 D107 G112 I114 K166 F169 | L99-F103 WeakPolarHBondContact O-CB 3.47Å; L99-F103 PolarHBondContact O-N 3.18Å; E100-F103 WeakPolarHBondContact O-CB 3.44Å; E100-F103 PolarHBondContact O-N 3.38Å; W101-F103 VanDerWaalsContact C-N 3.35Å; F103-L105 PolarHBondContact O-N 3.4Å; F103-L105 VanDerWaalsContact O-N 3.11Å; F103-Y106 PolarHBondContact O-N 2.75Å; F103-D107 HydrophobicContact CD1-CB 4.23Å; F103-D107 HydrophobicContact CE1-CB 3.83Å; F103-D107 HydrophobicContact CZ-CB 4.39Å; F103-D107 PolarHBondContact O-N 3.45Å; F103-G112 VanDerWaalsContact CZ-O 3.29Å; F103-G112 WeakPolarHBondContact CZ-O 3.49Å; F103-I114 HydrophobicContact CD2-CD1 3.44Å; F103-I114 VanDerWaalsContact CD2-CD1 3.44Å; F103-I114 HydrophobicContact CD2-CG1 4.07Å; F103-I114 HydrophobicContact CE2-CD1 3.48Å; F103-I114 VanDerWaalsContact CE2-CD1 3.48Å; F103-I114 HydrophobicContact CE2-CG1 3.66Å; F103-I114 HydrophobicContact CG-CD1 4.21Å; F103-I114 HydrophobicContact CZ-CD1 4.27Å; F103-I114 HydrophobicContact CZ-CG1 3.99Å; F103-K166 HydrophobicContact CD2-CB 4.29Å; F103-K166 HydrophobicContact CE1-CB 4.42Å; F103-K166 VanDerWaalsContact CE2-CA 3.47Å; F103-K166 HydrophobicContact CE2-CB 4.1Å; F103-K166 HydrophobicContact CG-CG 4.45Å; F103-K166 HydrophobicContact CZ-CB 4.17Å; F103-F169 HydrophobicContact CB-CD1 3.98Å; F103-F169 HydrophobicContact CB-CE1 4.11Å; F103-F169 HydrophobicContact CD2-CB 3.72Å; F103-F169 AromaticContact CD2-CD1 3.89Å; F103-F169 HydrophobicContact CD2-CD1 3.89Å; F103-F169 HydrophobicContact CD2-CD2 4.46Å; F103-F169 AromaticContact CD2-CG 3.77Å; F103-F169 HydrophobicContact CD2-CG 3.77Å; F103-F169 HydrophobicContact CE2-CB 4.12Å; F103-F169 HydrophobicContact CG-CD1 4.46Å |
| 104 | S | 89.3 | Confident | 89.3 | Confident | 56 Ų | 56 | 44.9 Ų | 44.9 | 39% | 0.392 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.8 | -18.7 | 179 | -49.9 | 0 | 0 | 0 | 0 | 113.7 | V69 E100 W101 A102 | V69-S104 WeakPolarHBondContact CG2-O 3.38Å; E100-S104 PolarHBondContact O-N 2.96Å; E100-S104 PolarHBondContact O-OG 2.88Å; W101-S104 PolarHBondContact O-N 3.02Å; A102-S104 VanDerWaalsContact C-N 3.3Å; A102-S104 PolarHBondContact O-N 3.13Å |
| 105 | L | 88.1 | Confident | 89.9 | Confident | 11 Ų | 11 | 44.6 Ų | 44.6 | 6% | 0.058 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -79.9 | -29.1 | 172.8 | -179.8 | 65 | 0 | 0 | 0 | 112.8 | F62 F65 V66 V69 W101 A102 F103 I122 | F62-L105 HydrophobicContact CE2-CD2 4.38Å; F62-L105 HydrophobicContact CZ-CD2 4.3Å; F65-L105 HydrophobicContact CB-CD1 3.98Å; V66-L105 HydrophobicContact CB-CD1 4.46Å; V66-L105 HydrophobicContact CG2-CD1 3.88Å; V69-L105 HydrophobicContact CG2-CB 3.99Å; V69-L105 HydrophobicContact CG2-CD1 3.78Å; W101-L105 HydrophobicContact CZ3-CD2 4.46Å; W101-L105 PolarHBondContact O-N 3.37Å; A102-L105 WeakPolarHBondContact O-CB 2.89Å; A102-L105 PolarHBondContact O-N 2.8Å; A102-L105 VanDerWaalsContact O-N 3.11Å; F103-L105 PolarHBondContact O-N 3.4Å; F103-L105 VanDerWaalsContact O-N 3.11Å; L105-I122 WeakPolarHBondContact O-CD1 3.41Å |
| 106 | Y | 88.4 | Confident | 90.6 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 5% | 0.047 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -91.1 | -32.2 | -179.3 | -80.7 | -84.5 | 0 | 0 | 0 | 113.2 | F4 A102 F103 L108 I114 E118 M119 I122 F169 | F4-Y106 HydrophobicContact CZ-CE2 4.09Å; F4-Y106 AromaticContact CZ-CZ 3.81Å; A102-Y106 WeakPolarHBondContact O-CD2 2.85Å; A102-Y106 PolarHBondContact O-N 3.15Å; F103-Y106 PolarHBondContact O-N 2.75Å; Y106-L108 PolarHBondContact O-N 2.94Å; Y106-I114 VanDerWaalsContact CB-CD1 3.5Å; Y106-I114 HydrophobicContact CG-CD1 4.36Å; Y106-E118 WeakPolarHBondContact O-CB 3.37Å; Y106-M119 HydrophobicContact CD1-CG 4.09Å; Y106-M119 HydrophobicContact CE1-CG 4.04Å; Y106-I122 HydrophobicContact CD1-CB 3.8Å; Y106-I122 HydrophobicContact CD1-CG1 3.75Å; Y106-I122 HydrophobicContact CD1-CG2 3.81Å; Y106-I122 HydrophobicContact CE1-CB 3.68Å; Y106-I122 HydrophobicContact CE1-CG1 4.14Å; Y106-I122 HydrophobicContact CE1-CG2 3.3Å; Y106-I122 HydrophobicContact CG-CG1 4.38Å; Y106-F169 HydrophobicContact CD2-CE2 4.41Å; Y106-F169 HydrophobicContact CD2-CZ 4.42Å |
| 107 | D | 93 | Very high | 91.1 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 7% | 0.07 | 26% | 0.256 | C | S | . | . | trans | -76.1 | 92.5 | 172.1 | 176.2 | 1.5 | 0 | 0 | 0 | 108.6 | F103 S110 D111 G112 Y113 I114 | F103-D107 HydrophobicContact CD1-CB 4.23Å; F103-D107 HydrophobicContact CE1-CB 3.83Å; F103-D107 HydrophobicContact CZ-CB 4.39Å; F103-D107 PolarHBondContact O-N 3.45Å; D107-S110 WeakPolarHBondContact OD1-CA 3.48Å; D107-S110 PolarHBondContact OD1-N 3.16Å; D107-S110 WeakPolarHBondContact OD2-CA 3.34Å; D107-D111 PolarHBondContact OD1-N 3.5Å; D107-D111 VanDerWaalsContact OD1-N 3.11Å; D107-G112 VanDerWaalsContact OD2-CA 3.28Å; D107-G112 WeakPolarHBondContact OD2-CA 3.2Å; D107-G112 PolarHBondContact OD2-N 3.34Å; D107-Y113 WeakPolarHBondContact CB-O 3.38Å; D107-I114 HydrophobicContact CB-CG1 4.25Å | ||
| 108 | L | 92.6 | Very high | 91.6 | Very high | 51 Ų | 51 | 44 Ų | 44 | 27% | 0.267 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -79.2 | -32.3 | -167.7 | -67.9 | -176.1 | 0 | 0 | 0 | 112.2 | F65 Y106 E118 E121 I122 | F65-L108 HydrophobicContact CD1-CD1 4.44Å; F65-L108 HydrophobicContact CD1-CD2 3.43Å; F65-L108 VanDerWaalsContact CD1-CD2 3.43Å; F65-L108 HydrophobicContact CE1-CD1 3.81Å; F65-L108 HydrophobicContact CE1-CD2 3.67Å; F65-L108 HydrophobicContact CE1-CG 4.4Å; F65-L108 HydrophobicContact CG-CD2 4.04Å; F65-L108 HydrophobicContact CZ-CD1 4.12Å; F65-L108 HydrophobicContact CZ-CD2 4.42Å; Y106-L108 PolarHBondContact O-N 2.94Å; L108-E118 HydrophobicContact CB-CB 4.49Å; L108-E118 HydrophobicContact CB-CG 4.03Å; L108-E118 HydrophobicContact CD1-CB 4.04Å; L108-E118 HydrophobicContact CD1-CG 4.11Å; L108-E118 HydrophobicContact CG-CB 4.03Å; L108-E118 HydrophobicContact CG-CG 4.09Å; L108-E118 PolarHBondContact N-OE1 2.68Å; L108-E121 HydrophobicContact CD1-CB 4.05Å; L108-I122 HydrophobicContact CD2-CD1 3.79Å; L108-I122 HydrophobicContact CD2-CG1 4.35Å |
| 109 | D | 94 | Very high | 92.1 | Very high | 105 Ų | 105 | 43.3 Ų | 43.3 | 56% | 0.561 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -94.9 | -5.1 | 177.4 | 70.3 | 10.3 | 0 | 0 | 0 | 113.7 | D111 E118 | D109-D111 VanDerWaalsContact C-N 3.32Å; D109-D111 VanDerWaalsContact OD1-CB 3.26Å; D109-D111 WeakPolarHBondContact OD1-CB 3.32Å; D109-D111 PolarHBondContact OD1-N 2.56Å; D109-D111 VanDerWaalsContact OD1-N 3.08Å; D109-E118 PolarHBondContact N-OE1 2.83Å |
| 110 | S | 92.5 | Very high | 92.3 | Very high | 76 Ų | 76 | 44 Ų | 44 | 53% | 0.531 | 24% | 0.239 | S | C | . | . | trans | 64.6 | 31.7 | 178.3 | -52.5 | 0 | 0 | 0 | 0 | 113.4 | D107 G112 | D107-S110 WeakPolarHBondContact OD1-CA 3.48Å; D107-S110 PolarHBondContact OD1-N 3.16Å; D107-S110 WeakPolarHBondContact OD2-CA 3.34Å; S110-G112 VanDerWaalsContact C-N 3.28Å | ||
| 111 | D | 95.9 | Very high | 92.5 | Very high | 86 Ų | 86 | 43.7 Ų | 43.7 | 46% | 0.46 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -81.4 | -5.6 | 177.5 | 87.2 | -11.9 | 0 | 0 | 0 | 113.8 | D107 D109 Y113 | D107-D111 PolarHBondContact OD1-N 3.5Å; D107-D111 VanDerWaalsContact OD1-N 3.11Å; D109-D111 VanDerWaalsContact C-N 3.32Å; D109-D111 VanDerWaalsContact OD1-CB 3.26Å; D109-D111 WeakPolarHBondContact OD1-CB 3.32Å; D109-D111 PolarHBondContact OD1-N 2.56Å; D109-D111 VanDerWaalsContact OD1-N 3.08Å; D111-Y113 WeakPolarHBondContact OD1-CA 3.34Å; D111-Y113 WeakPolarHBondContact OD1-CB 3.47Å; D111-Y113 PolarHBondContact OD1-N 2.54Å |
| 112 | G | 96.3 | Very high | 92.6 | Very high | 33 Ų | 33 | 42.3 Ų | 42.3 | 34% | 0.34 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 90.9 | 8.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | F103 D107 S110 | F103-G112 VanDerWaalsContact CZ-O 3.29Å; F103-G112 WeakPolarHBondContact CZ-O 3.49Å; D107-G112 VanDerWaalsContact OD2-CA 3.28Å; D107-G112 WeakPolarHBondContact OD2-CA 3.2Å; D107-G112 PolarHBondContact OD2-N 3.34Å; S110-G112 VanDerWaalsContact C-N 3.28Å |
| 113 | Y | 98 | Very high | 92.6 | Very high | 82 Ų | 82 | 41.6 Ų | 41.6 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 157.8 | 175.7 | -61.6 | -82.7 | 0 | 0 | 0 | 111.2 | D107 D111 K163 L164 | D107-Y113 WeakPolarHBondContact CB-O 3.38Å; D111-Y113 WeakPolarHBondContact OD1-CA 3.34Å; D111-Y113 WeakPolarHBondContact OD1-CB 3.47Å; D111-Y113 PolarHBondContact OD1-N 2.54Å; Y113-K163 HydrophobicContact CD1-CD 3.56Å; Y113-K163 HydrophobicContact CD1-CG 3.97Å; Y113-K163 HydrophobicContact CD2-CD 4.31Å; Y113-K163 HydrophobicContact CE1-CD 4.12Å; Y113-K163 HydrophobicContact CG-CD 3.68Å; Y113-K163 HydrophobicContact CG-CG 4.4Å; Y113-L164 WeakPolarHBondContact CA-O 3.11Å |
| 114 | I | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 113.3 | 168.3 | -58.3 | 161.7 | 0 | 0 | 0 | 107.5 | F103 Y106 D107 M119 F153 K163 L164 F169 | F103-I114 HydrophobicContact CD2-CD1 3.44Å; F103-I114 VanDerWaalsContact CD2-CD1 3.44Å; F103-I114 HydrophobicContact CD2-CG1 4.07Å; F103-I114 HydrophobicContact CE2-CD1 3.48Å; F103-I114 VanDerWaalsContact CE2-CD1 3.48Å; F103-I114 HydrophobicContact CE2-CG1 3.66Å; F103-I114 HydrophobicContact CG-CD1 4.21Å; F103-I114 HydrophobicContact CZ-CD1 4.27Å; F103-I114 HydrophobicContact CZ-CG1 3.99Å; Y106-I114 VanDerWaalsContact CB-CD1 3.5Å; Y106-I114 HydrophobicContact CG-CD1 4.36Å; D107-I114 HydrophobicContact CB-CG1 4.25Å; I114-M119 HydrophobicContact CG2-CB 4.14Å; I114-M119 HydrophobicContact CG2-CE 3.87Å; I114-F153 WeakPolarHBondContact O-CZ 3.32Å; I114-K163 CarbonylContact O-C 3.56Å; I114-K163 WeakPolarHBondContact O-CA 3.05Å; I114-L164 HydrophobicContact CB-CB 4.25Å; I114-L164 PolarHBondContact N-O 2.78Å; I114-L164 PolarHBondContact O-N 3.03Å; I114-F169 HydrophobicContact CD1-CD2 3.71Å; I114-F169 HydrophobicContact CD1-CE2 4.08Å; I114-F169 HydrophobicContact CD1-CG 4.21Å |
| 115 | T | 97.4 | Very high | 92.4 | Very high | 45 Ų | 45 | 41 Ų | 41 | 28% | 0.276 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 161.9 | 172.6 | 67.6 | 0 | 0 | 0 | 0 | 111.2 | Q117 E118 M119 | T115-Q117 PolarHBondContact O-N 3.28Å; T115-E118 WeakPolarHBondContact CB-OE2 3.31Å; T115-E118 WeakPolarHBondContact CG2-OE2 3.23Å; T115-E118 PolarHBondContact N-OE2 3.21Å; T115-E118 PolarHBondContact O-N 3.05Å; T115-E118 VanDerWaalsContact OG1-CG 3.23Å; T115-E118 WeakPolarHBondContact OG1-CG 3.31Å; T115-E118 PolarHBondContact OG1-N 3.5Å; T115-E118 PolarHBondContact OG1-OE2 2.6Å; T115-M119 PolarHBondContact O-N 2.7Å; T115-M119 VanDerWaalsContact O-N 3.11Å |
| 116 | R | 95.2 | Very high | 92 | Very high | 61 Ų | 61 | 40.7 Ų | 40.7 | 23% | 0.23 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.4 | -42 | 173.1 | -70.1 | 178.8 | 168 | -88.6 | 3.7 | 112 | M119 V120 V149 D150 F153 D162 | R116-M119 PolarHBondContact O-N 3.43Å; R116-V120 WeakPolarHBondContact O-CG2 3.42Å; R116-V120 PolarHBondContact O-N 2.78Å; R116-V149 HydrophobicContact CB-CG1 3.99Å; R116-V149 HydrophobicContact CG-CG1 4.07Å; R116-D150 IonicContact CZ-OD1 3.64Å; R116-D150 IonicContact NH1-OD1 3.78Å; R116-D150 PolarHBondContact NH1-OD1 3.23Å; R116-F153 HydrophobicContact CB-CE2 4.47Å; R116-F153 HydrophobicContact CB-CZ 4.29Å; R116-F153 HydrophobicContact CG-CD1 3.77Å; R116-F153 HydrophobicContact CG-CD2 4.05Å; R116-F153 HydrophobicContact CG-CE1 3.56Å; R116-F153 HydrophobicContact CG-CE2 3.86Å; R116-F153 HydrophobicContact CG-CG 4.01Å; R116-F153 HydrophobicContact CG-CZ 3.63Å; R116-D162 VanDerWaalsContact CD-OD1 3.28Å; R116-D162 WeakPolarHBondContact CD-OD1 3.34Å; R116-D162 IonicContact CZ-OD1 2.68Å; R116-D162 IonicContact NE-OD1 2.9Å; R116-D162 PolarHBondContact NE-OD1 3.21Å; R116-D162 IonicContact NH2-OD1 2.94Å |
| 117 | Q | 96.8 | Very high | 91.5 | Very high | 118 Ų | 118 | 40.4 Ų | 40.4 | 55% | 0.551 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -62.1 | -49 | -177.3 | 179.6 | 54.6 | 38.5 | 0 | 0 | 111.1 | T115 M119 V120 E121 | T115-Q117 PolarHBondContact O-N 3.28Å; Q117-M119 VanDerWaalsContact C-N 3.32Å; Q117-M119 PolarHBondContact O-N 2.69Å; Q117-V120 WeakPolarHBondContact O-CB 3.45Å; Q117-V120 PolarHBondContact O-N 2.87Å; Q117-E121 PolarHBondContact NE2-OE1 3.44Å; Q117-E121 WeakPolarHBondContact O-CG 3.22Å; Q117-E121 PolarHBondContact O-N 3.18Å |
| 118 | E | 95.4 | Very high | 91.1 | Very high | 11 Ų | 11 | 42.5 Ų | 42.5 | 5% | 0.051 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.4 | -42 | 177.9 | -66.6 | 168.6 | 116 | 0 | 0 | 111.9 | Y106 L108 D109 T115 V120 E121 I122 | Y106-E118 WeakPolarHBondContact O-CB 3.37Å; L108-E118 HydrophobicContact CB-CB 4.49Å; L108-E118 HydrophobicContact CB-CG 4.03Å; L108-E118 HydrophobicContact CD1-CB 4.04Å; L108-E118 HydrophobicContact CD1-CG 4.11Å; L108-E118 HydrophobicContact CG-CB 4.03Å; L108-E118 HydrophobicContact CG-CG 4.09Å; L108-E118 PolarHBondContact N-OE1 2.68Å; D109-E118 PolarHBondContact N-OE1 2.83Å; T115-E118 WeakPolarHBondContact CB-OE2 3.31Å; T115-E118 WeakPolarHBondContact CG2-OE2 3.23Å; T115-E118 PolarHBondContact N-OE2 3.21Å; T115-E118 PolarHBondContact O-N 3.05Å; T115-E118 VanDerWaalsContact OG1-CG 3.23Å; T115-E118 WeakPolarHBondContact OG1-CG 3.31Å; T115-E118 PolarHBondContact OG1-N 3.5Å; T115-E118 PolarHBondContact OG1-OE2 2.6Å; E118-V120 VanDerWaalsContact C-N 3.34Å; E118-V120 PolarHBondContact O-N 3.47Å; E118-E121 WeakPolarHBondContact O-CB 3.48Å; E118-E121 PolarHBondContact O-N 3.29Å; E118-E121 VanDerWaalsContact O-N 3.16Å; E118-I122 PolarHBondContact O-N 3.3Å |
| 119 | M | 92.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.5 | -40.7 | 176.4 | -165.7 | 178.7 | -72.1 | 0 | 0 | 112 | F4 Y106 I114 T115 R116 Q117 E121 I122 V123 V149 I152 F153 L164 | F4-M119 HydrophobicContact CE2-SD 4.43Å; Y106-M119 HydrophobicContact CD1-CG 4.09Å; Y106-M119 HydrophobicContact CE1-CG 4.04Å; I114-M119 HydrophobicContact CG2-CB 4.14Å; I114-M119 HydrophobicContact CG2-CE 3.87Å; T115-M119 PolarHBondContact O-N 2.7Å; T115-M119 VanDerWaalsContact O-N 3.11Å; R116-M119 PolarHBondContact O-N 3.43Å; Q117-M119 VanDerWaalsContact C-N 3.32Å; Q117-M119 PolarHBondContact O-N 2.69Å; M119-E121 VanDerWaalsContact C-N 3.28Å; M119-E121 PolarHBondContact O-N 3.2Å; M119-I122 PolarHBondContact O-N 2.73Å; M119-V123 HydrophobicContact CG-CG2 4.38Å; M119-V123 WeakPolarHBondContact O-CB 3.47Å; M119-V123 VanDerWaalsContact O-CG2 3.23Å; M119-V123 WeakPolarHBondContact O-CG2 3.49Å; M119-V123 PolarHBondContact O-N 3.17Å; M119-V149 HydrophobicContact CB-CG1 4.23Å; M119-V149 HydrophobicContact CB-CG2 3.92Å; M119-V149 HydrophobicContact CG-CG2 3.73Å; M119-V149 HydrophobicContact SD-CB 4.49Å; M119-V149 HydrophobicContact SD-CG1 4.23Å; M119-V149 HydrophobicContact SD-CG2 4.04Å; M119-I152 HydrophobicContact CE-CG2 3.9Å; M119-I152 HydrophobicContact SD-CB 4Å; M119-I152 HydrophobicContact SD-CD1 3.6Å; M119-I152 HydrophobicContact SD-CG1 4.41Å; M119-I152 HydrophobicContact SD-CG2 3.74Å; M119-F153 HydrophobicContact CB-CE2 4.3Å; M119-F153 HydrophobicContact CE-CD2 4.39Å; M119-F153 HydrophobicContact CE-CE2 3.69Å; M119-F153 HydrophobicContact CE-CZ 4.48Å; M119-F153 HydrophobicContact SD-CD2 4.2Å; M119-F153 HydrophobicContact SD-CE2 3.79Å; M119-L164 HydrophobicContact CE-CD1 3.64Å |
| 120 | V | 91.2 | Very high | 89.7 | Confident | 20 Ų | 20 | 35.4 Ų | 35.4 | 12% | 0.121 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.4 | -41.2 | 174.5 | 167.9 | 0 | 0 | 0 | 0 | 110.3 | R116 Q117 E118 V123 T124 P145 E146 V149 | R116-V120 WeakPolarHBondContact O-CG2 3.42Å; R116-V120 PolarHBondContact O-N 2.78Å; Q117-V120 WeakPolarHBondContact O-CB 3.45Å; Q117-V120 PolarHBondContact O-N 2.87Å; E118-V120 VanDerWaalsContact C-N 3.34Å; E118-V120 PolarHBondContact O-N 3.47Å; V120-V123 PolarHBondContact O-N 3.26Å; V120-T124 WeakPolarHBondContact O-CB 3.2Å; V120-T124 PolarHBondContact O-N 2.68Å; V120-T124 PolarHBondContact O-OG1 2.75Å; V120-P145 HydrophobicContact CG1-CB 4.24Å; V120-E146 HydrophobicContact CG2-CG 4.31Å; V120-V149 HydrophobicContact CB-CG2 4.35Å; V120-V149 HydrophobicContact CG2-CB 3.95Å; V120-V149 HydrophobicContact CG2-CG1 4.25Å; V120-V149 HydrophobicContact CG2-CG2 3.54Å |
| 121 | E | 92.7 | Very high | 88.8 | Confident | 79 Ų | 79 | 32.6 Ų | 32.6 | 37% | 0.369 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.5 | -45.9 | 178.4 | -73.4 | -168.4 | -136.7 | 0 | 0 | 112.5 | F65 L108 Q117 E118 M119 T124 A125 | F65-E121 HydrophobicContact CZ-CB 4.24Å; L108-E121 HydrophobicContact CD1-CB 4.05Å; Q117-E121 PolarHBondContact NE2-OE1 3.44Å; Q117-E121 WeakPolarHBondContact O-CG 3.22Å; Q117-E121 PolarHBondContact O-N 3.18Å; E118-E121 WeakPolarHBondContact O-CB 3.48Å; E118-E121 PolarHBondContact O-N 3.29Å; E118-E121 VanDerWaalsContact O-N 3.16Å; M119-E121 VanDerWaalsContact C-N 3.28Å; M119-E121 PolarHBondContact O-N 3.2Å; E121-T124 PolarHBondContact O-N 3.22Å; E121-A125 VanDerWaalsContact O-CB 3.31Å; E121-A125 WeakPolarHBondContact O-CB 3.31Å; E121-A125 PolarHBondContact O-N 2.98Å |
| 122 | I | 87 | Confident | 87.1 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.5 | -52.6 | 174.5 | -65.5 | -59 | 0 | 0 | 0 | 110.6 | F65 L105 Y106 L108 E118 M119 T124 A125 I126 | F65-I122 HydrophobicContact CB-CD1 3.93Å; F65-I122 HydrophobicContact CD1-CD1 4.31Å; F65-I122 HydrophobicContact CD2-CD1 3.35Å; F65-I122 HydrophobicContact CE2-CD1 3.8Å; F65-I122 HydrophobicContact CG-CD1 3.63Å; F65-I122 HydrophobicContact CZ-CD1 4.45Å; L105-I122 WeakPolarHBondContact O-CD1 3.41Å; Y106-I122 HydrophobicContact CD1-CB 3.8Å; Y106-I122 HydrophobicContact CD1-CG1 3.75Å; Y106-I122 HydrophobicContact CD1-CG2 3.81Å; Y106-I122 HydrophobicContact CE1-CB 3.68Å; Y106-I122 HydrophobicContact CE1-CG1 4.14Å; Y106-I122 HydrophobicContact CE1-CG2 3.3Å; Y106-I122 HydrophobicContact CG-CG1 4.38Å; L108-I122 HydrophobicContact CD2-CD1 3.79Å; L108-I122 HydrophobicContact CD2-CG1 4.35Å; E118-I122 PolarHBondContact O-N 3.3Å; M119-I122 PolarHBondContact O-N 2.73Å; I122-T124 VanDerWaalsContact C-N 3.28Å; I122-T124 PolarHBondContact O-N 3.37Å; I122-A125 PolarHBondContact O-N 2.83Å; I122-A125 VanDerWaalsContact O-N 3.14Å; I122-I126 HydrophobicContact CG2-CD1 3.58Å; I122-I126 HydrophobicContact CG2-CG1 4.39Å; I122-I126 WeakPolarHBondContact O-CD1 3.4Å; I122-I126 VanDerWaalsContact O-CG1 3.22Å; I122-I126 WeakPolarHBondContact O-CG1 3.44Å; I122-I126 PolarHBondContact O-N 3.4Å |
| 123 | V | 84.2 | Confident | 85.2 | Confident | 12 Ų | 12 | 40.2 Ų | 40.2 | 7% | 0.073 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.7 | -42.6 | -178.9 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | M119 V120 I126 Y127 P145 V149 | M119-V123 HydrophobicContact CG-CG2 4.38Å; M119-V123 WeakPolarHBondContact O-CB 3.47Å; M119-V123 VanDerWaalsContact O-CG2 3.23Å; M119-V123 WeakPolarHBondContact O-CG2 3.49Å; M119-V123 PolarHBondContact O-N 3.17Å; V120-V123 PolarHBondContact O-N 3.26Å; V123-I126 PolarHBondContact O-N 2.98Å; V123-Y127 HydrophobicContact CG1-CD1 4.18Å; V123-Y127 HydrophobicContact CG1-CE1 3.54Å; V123-Y127 HydrophobicContact CG1-CE2 4.49Å; V123-Y127 WeakPolarHBondContact O-CD1 3.46Å; V123-Y127 PolarHBondContact O-N 3.39Å; V123-P145 HydrophobicContact CB-CB 4.28Å; V123-P145 HydrophobicContact CG1-CB 3.81Å; V123-P145 HydrophobicContact CG1-CG 4.4Å; V123-V149 HydrophobicContact CG2-CG2 4.42Å |
| 124 | T | 86.9 | Confident | 83.2 | Confident | 44 Ų | 44 | 36.8 Ų | 36.8 | 27% | 0.27 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.1 | -45.4 | 176.9 | -60 | 0 | 0 | 0 | 0 | 111.4 | V120 E121 I122 I126 Y127 T128 P145 | V120-T124 WeakPolarHBondContact O-CB 3.2Å; V120-T124 PolarHBondContact O-N 2.68Å; V120-T124 PolarHBondContact O-OG1 2.75Å; E121-T124 PolarHBondContact O-N 3.22Å; I122-T124 VanDerWaalsContact C-N 3.28Å; I122-T124 PolarHBondContact O-N 3.37Å; T124-I126 VanDerWaalsContact C-N 3.29Å; T124-I126 PolarHBondContact O-N 2.92Å; T124-Y127 WeakPolarHBondContact O-CB 3.35Å; T124-Y127 PolarHBondContact O-N 2.95Å; T124-T128 PolarHBondContact O-N 3.11Å; T124-T128 PolarHBondContact O-OG1 3.19Å; T124-P145 WeakPolarHBondContact OG1-CB 3.21Å; T124-P145 WeakPolarHBondContact OG1-CG 3.47Å |
| 125 | A | 86.9 | Confident | 81.2 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.6 | -37.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K61 F62 F65 E121 I122 T128 M129 | K61-A125 HydrophobicContact CB-CB 3.73Å; F62-A125 HydrophobicContact CB-CB 4.12Å; F65-A125 HydrophobicContact CD2-CB 4.1Å; F65-A125 HydrophobicContact CE2-CB 3.68Å; E121-A125 VanDerWaalsContact O-CB 3.31Å; E121-A125 WeakPolarHBondContact O-CB 3.31Å; E121-A125 PolarHBondContact O-N 2.98Å; I122-A125 PolarHBondContact O-N 2.83Å; I122-A125 VanDerWaalsContact O-N 3.14Å; A125-T128 PolarHBondContact O-N 3.19Å; A125-M129 WeakPolarHBondContact O-CB 3.41Å; A125-M129 PolarHBondContact O-N 3.06Å |
| 126 | I | 79.9 | Confident | 79 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.5 | -43.2 | 172.9 | -62.5 | 149.5 | 0 | 0 | 0 | 110.4 | I11 F62 I122 V123 T124 T128 M129 L130 | I11-I126 HydrophobicContact CD1-CB 4.48Å; I11-I126 HydrophobicContact CD1-CD1 3.07Å; I11-I126 HydrophobicContact CD1-CG1 3.44Å; I11-I126 VanDerWaalsContact CD1-CG1 3.44Å; I11-I126 HydrophobicContact CD1-CG2 4.23Å; I11-I126 HydrophobicContact CG1-CD1 3.98Å; I11-I126 HydrophobicContact CG1-CG1 3.81Å; I11-I126 HydrophobicContact CG1-CG2 3.95Å; F62-I126 HydrophobicContact CD2-CG1 3.7Å; F62-I126 HydrophobicContact CE2-CD1 4.45Å; F62-I126 HydrophobicContact CE2-CG1 3.8Å; I122-I126 HydrophobicContact CG2-CD1 3.58Å; I122-I126 HydrophobicContact CG2-CG1 4.39Å; I122-I126 WeakPolarHBondContact O-CD1 3.4Å; I122-I126 VanDerWaalsContact O-CG1 3.22Å; I122-I126 WeakPolarHBondContact O-CG1 3.44Å; I122-I126 PolarHBondContact O-N 3.4Å; V123-I126 PolarHBondContact O-N 2.98Å; T124-I126 VanDerWaalsContact C-N 3.29Å; T124-I126 PolarHBondContact O-N 2.92Å; I126-T128 VanDerWaalsContact C-N 3.32Å; I126-T128 PolarHBondContact O-N 3.47Å; I126-M129 PolarHBondContact O-N 3.35Å; I126-L130 HydrophobicContact CG2-CD1 3.94Å; I126-L130 HydrophobicContact CG2-CG 4.44Å; I126-L130 VanDerWaalsContact O-CG 3.25Å; I126-L130 WeakPolarHBondContact O-CG 3.35Å; I126-L130 PolarHBondContact O-N 3.07Å |
| 127 | Y | 78.7 | Confident | 76.9 | Confident | 7 Ų | 7 | 47 Ų | 47 | 3% | 0.027 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.2 | -43.5 | 179.3 | -75.9 | 20 | 0 | 0 | 0 | 111.2 | K7 V123 T124 L130 G131 L134 P145 | K7-Y127 HydrophobicContact CD-CD1 4.01Å; K7-Y127 HydrophobicContact CD-CE1 3.26Å; K7-Y127 PolarHBondContact NZ-OH 2.72Å; V123-Y127 HydrophobicContact CG1-CD1 4.18Å; V123-Y127 HydrophobicContact CG1-CE1 3.54Å; V123-Y127 HydrophobicContact CG1-CE2 4.49Å; V123-Y127 WeakPolarHBondContact O-CD1 3.46Å; V123-Y127 PolarHBondContact O-N 3.39Å; T124-Y127 WeakPolarHBondContact O-CB 3.35Å; T124-Y127 PolarHBondContact O-N 2.95Å; Y127-L130 PolarHBondContact O-N 3.11Å; Y127-G131 PolarHBondContact O-N 3.38Å; Y127-G131 VanDerWaalsContact O-N 3.14Å; Y127-L134 HydrophobicContact CD1-CD2 3.56Å; Y127-L134 HydrophobicContact CD2-CD2 3.73Å; Y127-L134 HydrophobicContact CE1-CD2 4.17Å; Y127-L134 HydrophobicContact CE2-CD2 4.25Å; Y127-L134 HydrophobicContact CG-CD2 3.33Å; Y127-P145 HydrophobicContact CD2-CG 3.88Å; Y127-P145 HydrophobicContact CE2-CG 3.77Å |
| 128 | T | 84.6 | Confident | 74.7 | Confident | 57 Ų | 57 | 45.1 Ų | 45.1 | 35% | 0.35 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.5 | -42.1 | 176.8 | -62 | 0 | 0 | 0 | 0 | 111.9 | D58 T124 A125 I126 L130 G131 | D58-T128 HydrophobicContact CB-CG2 3.79Å; D58-T128 PolarHBondContact N-O 3.17Å; D58-T128 CarbonylContact O-C 3.54Å; T124-T128 PolarHBondContact O-N 3.11Å; T124-T128 PolarHBondContact O-OG1 3.19Å; A125-T128 PolarHBondContact O-N 3.19Å; I126-T128 VanDerWaalsContact C-N 3.32Å; I126-T128 PolarHBondContact O-N 3.47Å; T128-L130 VanDerWaalsContact C-N 3.28Å; T128-L130 PolarHBondContact O-N 3.44Å; T128-G131 PolarHBondContact O-N 3.12Å |
| 129 | M | 81.2 | Confident | 72.5 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.7 | -34.5 | 176.7 | 178.6 | 172.9 | 73.4 | 0 | 0 | 113 | A14 Y50 F54 G57 D58 P59 F62 A125 I126 | A14-M129 HydrophobicContact CB-CE 4.49Å; Y50-M129 HydrophobicContact CD1-SD 4.2Å; Y50-M129 HydrophobicContact CE1-SD 4.45Å; F54-M129 HydrophobicContact CB-CG 4.2Å; F54-M129 HydrophobicContact CD1-CG 4Å; F54-M129 HydrophobicContact CD2-CG 3.95Å; F54-M129 HydrophobicContact CD2-SD 3.84Å; F54-M129 HydrophobicContact CE2-CG 4.47Å; F54-M129 HydrophobicContact CE2-SD 3.89Å; F54-M129 HydrophobicContact CG-CG 3.74Å; F54-M129 HydrophobicContact CG-SD 4.23Å; F54-M129 HydrophobicContact CZ-CE 4.41Å; F54-M129 HydrophobicContact CZ-SD 4.33Å; G57-M129 WeakPolarHBondContact CA-O 3.3Å; D58-M129 VanDerWaalsContact O-CA 3.26Å; D58-M129 WeakPolarHBondContact O-CA 3.34Å; D58-M129 PolarHBondContact O-N 3.28Å; P59-M129 HydrophobicContact CB-CG 3.79Å; P59-M129 HydrophobicContact CB-SD 3.97Å; F62-M129 HydrophobicContact CB-CB 4.4Å; F62-M129 HydrophobicContact CB-SD 3.95Å; F62-M129 HydrophobicContact CD1-CE 3.58Å; F62-M129 HydrophobicContact CD1-SD 3.41Å; F62-M129 WeakPolarHBondContact CD1-SD 3.5Å; F62-M129 HydrophobicContact CE1-CE 3.97Å; F62-M129 HydrophobicContact CE1-SD 4.25Å; F62-M129 HydrophobicContact CG-CE 3.98Å; F62-M129 HydrophobicContact CG-SD 3.89Å; A125-M129 WeakPolarHBondContact O-CB 3.41Å; A125-M129 PolarHBondContact O-N 3.06Å; I126-M129 PolarHBondContact O-N 3.35Å |
| 130 | L | 75.8 | Confident | 70.6 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -86.2 | -14.2 | -179.8 | -59.9 | 178.7 | 0 | 0 | 0 | 113.3 | V10 F54 I126 Y127 T128 K132 Q133 L134 | V10-L130 HydrophobicContact CB-CD1 3.76Å; V10-L130 HydrophobicContact CB-CD2 4.39Å; V10-L130 HydrophobicContact CG1-CD1 3.53Å; V10-L130 HydrophobicContact CG1-CD2 3.27Å; V10-L130 HydrophobicContact CG1-CG 4.01Å; V10-L130 HydrophobicContact CG2-CD1 4.07Å; F54-L130 HydrophobicContact CD1-CD2 4.19Å; F54-L130 HydrophobicContact CE1-CD2 4.07Å; I126-L130 HydrophobicContact CG2-CD1 3.94Å; I126-L130 HydrophobicContact CG2-CG 4.44Å; I126-L130 VanDerWaalsContact O-CG 3.25Å; I126-L130 WeakPolarHBondContact O-CG 3.35Å; I126-L130 PolarHBondContact O-N 3.07Å; Y127-L130 PolarHBondContact O-N 3.11Å; T128-L130 VanDerWaalsContact C-N 3.28Å; T128-L130 PolarHBondContact O-N 3.44Å; L130-K132 PolarHBondContact O-N 3.32Å; L130-Q133 WeakPolarHBondContact O-CB 3.32Å; L130-Q133 PolarHBondContact O-N 2.94Å; L130-Q133 VanDerWaalsContact O-N 3.13Å; L130-L134 HydrophobicContact CB-CB 4.47Å |
| 131 | G | 72.1 | Confident | 68.9 | Low | 17 Ų | 17 | 57.9 Ų | 57.9 | 18% | 0.175 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | -128.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y127 T128 Q133 L134 | Y127-G131 PolarHBondContact O-N 3.38Å; Y127-G131 VanDerWaalsContact O-N 3.14Å; T128-G131 PolarHBondContact O-N 3.12Å; G131-Q133 PolarHBondContact O-N 2.89Å; G131-L134 WeakPolarHBondContact O-CB 3.2Å; G131-L134 PolarHBondContact O-N 3.46Å |
| 132 | K | 60.7 | Low | 67.4 | Low | 158 Ų | 158 | 62.7 Ų | 62.7 | 69% | 0.687 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.4 | -22.4 | -176.3 | -68.5 | -176.7 | -179.5 | 177.1 | 0 | 114.6 | L130 L134 E135 | L130-K132 PolarHBondContact O-N 3.32Å; K132-L134 PolarHBondContact O-N 2.93Å; K132-L134 VanDerWaalsContact O-N 3.16Å; K132-E135 PolarHBondContact O-N 3.33Å |
| 133 | Q | 57.6 | Low | 66.8 | Low | 121 Ų | 121 | 63.3 Ų | 63.3 | 57% | 0.565 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.2 | -23.4 | 174.5 | -62.1 | 173.9 | -7.8 | 0 | 0 | 111.5 | L130 G131 | L130-Q133 WeakPolarHBondContact O-CB 3.32Å; L130-Q133 PolarHBondContact O-N 2.94Å; L130-Q133 VanDerWaalsContact O-N 3.13Å; G131-Q133 PolarHBondContact O-N 2.89Å |
| 134 | L | 55.9 | Low | 66.7 | Low | 10 Ų | 10 | 65.4 Ų | 65.4 | 5% | 0.052 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -97.2 | -26.2 | 177.9 | -164 | 71.6 | 0 | 0 | 0 | 113.7 | Y127 L130 G131 K132 V136 K137 K138 | Y127-L134 HydrophobicContact CD1-CD2 3.56Å; Y127-L134 HydrophobicContact CD2-CD2 3.73Å; Y127-L134 HydrophobicContact CE1-CD2 4.17Å; Y127-L134 HydrophobicContact CE2-CD2 4.25Å; Y127-L134 HydrophobicContact CG-CD2 3.33Å; L130-L134 HydrophobicContact CB-CB 4.47Å; G131-L134 WeakPolarHBondContact O-CB 3.2Å; G131-L134 PolarHBondContact O-N 3.46Å; K132-L134 PolarHBondContact O-N 2.93Å; K132-L134 VanDerWaalsContact O-N 3.16Å; L134-V136 PolarHBondContact O-N 3.14Å; L134-V136 VanDerWaalsContact O-N 3.14Å; L134-K137 HydrophobicContact CD1-CB 4.32Å; L134-K137 CarbonylContact O-C 3.55Å; L134-K137 WeakPolarHBondContact O-CA 3.34Å; L134-K137 PolarHBondContact O-N 3.2Å; L134-K138 HydrophobicContact CD2-CD 4.29Å; L134-K138 HydrophobicContact CD2-CG 4.24Å; L134-K138 HydrophobicContact CG-CG 4.18Å; L134-K138 PolarHBondContact O-N 2.83Å |
| 135 | E | 53.7 | Low | 66.5 | Low | 87 Ų | 87 | 64.2 Ų | 64.2 | 41% | 0.407 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -53.5 | -37.7 | -179.6 | -70.5 | -61 | 123.3 | 0 | 0 | 111.9 | K132 K137 K138 L139 | K132-E135 PolarHBondContact O-N 3.33Å; E135-K137 VanDerWaalsContact C-N 3.28Å; E135-K137 PolarHBondContact O-N 2.93Å; E135-K138 PolarHBondContact O-N 2.89Å; E135-K138 IonicContact OE1-NZ 3.39Å; E135-L139 WeakPolarHBondContact O-CB 2.76Å; E135-L139 WeakPolarHBondContact O-CG 3.17Å; E135-L139 PolarHBondContact O-N 3.47Å |
| 136 | V | 50.3 | Low | 66.7 | Low | 119 Ų | 119 | 68.6 Ų | 68.6 | 72% | 0.721 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63 | -31.3 | 175 | -177.4 | 0 | 0 | 0 | 0 | 112.9 | L134 | L134-V136 PolarHBondContact O-N 3.14Å; L134-V136 VanDerWaalsContact O-N 3.14Å |
| 137 | K | 50.3 | Low | 67 | Low | 114 Ų | 114 | 72 Ų | 72 | 50% | 0.496 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -87 | -37 | 175.9 | -83 | -173.9 | 174.5 | 178.8 | 0 | 113.3 | L134 E135 A140 T141 | L134-K137 HydrophobicContact CD1-CB 4.32Å; L134-K137 CarbonylContact O-C 3.55Å; L134-K137 WeakPolarHBondContact O-CA 3.34Å; L134-K137 PolarHBondContact O-N 3.2Å; E135-K137 VanDerWaalsContact C-N 3.28Å; E135-K137 PolarHBondContact O-N 2.93Å; K137-A140 PolarHBondContact O-N 3.14Å; K137-A140 VanDerWaalsContact O-N 3.17Å; K137-T141 PolarHBondContact O-N 3.26Å; K137-T141 VanDerWaalsContact O-N 3.16Å; K137-T141 PolarHBondContact O-OG1 2.83Å |
| 138 | K | 50.7 | Low | 67 | Low | 79 Ų | 79 | 73.6 Ų | 73.6 | 34% | 0.343 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 176.6 | -84 | 179.4 | 174.7 | 177.8 | 0 | 111.6 | L134 E135 A140 T141 | L134-K138 HydrophobicContact CD2-CD 4.29Å; L134-K138 HydrophobicContact CD2-CG 4.24Å; L134-K138 HydrophobicContact CG-CG 4.18Å; L134-K138 PolarHBondContact O-N 2.83Å; E135-K138 PolarHBondContact O-N 2.89Å; E135-K138 IonicContact OE1-NZ 3.39Å; K138-A140 PolarHBondContact O-N 3.26Å; K138-T141 CarbonylContact O-C 3.51Å; K138-T141 PolarHBondContact O-N 3.41Å |
| 139 | L | 49.3 | Very low | 67.2 | Low | 151 Ų | 151 | 71 Ų | 71 | 79% | 0.791 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -21.3 | 176.7 | -69.6 | 166.5 | 0 | 0 | 0 | 112.8 | E135 | E135-L139 WeakPolarHBondContact O-CB 2.76Å; E135-L139 WeakPolarHBondContact O-CG 3.17Å; E135-L139 PolarHBondContact O-N 3.47Å |
| 140 | A | 53.7 | Low | 67.6 | Low | 79 Ų | 79 | 74.3 Ų | 74.3 | 65% | 0.653 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -19.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | K137 K138 | K137-A140 PolarHBondContact O-N 3.14Å; K137-A140 VanDerWaalsContact O-N 3.17Å; K138-A140 PolarHBondContact O-N 3.26Å |
| 141 | T | 53.8 | Low | 68.2 | Low | 69 Ų | 69 | 79.4 Ų | 79.4 | 42% | 0.423 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -143.9 | 126 | -179.2 | 58.8 | 0 | 0 | 0 | 0 | 109.7 | K137 K138 D143 | K137-T141 PolarHBondContact O-N 3.26Å; K137-T141 VanDerWaalsContact O-N 3.16Å; K137-T141 PolarHBondContact O-OG1 2.83Å; K138-T141 CarbonylContact O-C 3.51Å; K138-T141 PolarHBondContact O-N 3.41Å; T141-D143 VanDerWaalsContact O-CB 3.32Å; T141-D143 WeakPolarHBondContact O-CB 3.36Å; T141-D143 PolarHBondContact O-N 3.24Å; T141-D143 WeakPolarHBondContact OG1-CB 3.32Å |
| 142 | E | 62.6 | Low | 68.9 | Low | 179 Ų | 179 | 79.4 Ų | 79.4 | 84% | 0.836 | 40% | 0.402 | S | S | * | . | trans | -60.6 | 71.7 | 170.5 | -66.9 | 177.1 | 173.6 | 0 | 0 | 110.9 | M147 | E142-M147 WeakPolarHBondContact O-CE 3.19Å; E142-M147 VanDerWaalsContact O-SD 3.35Å | ||
| 143 | D | 73.5 | Confident | 70.4 | Confident | 13 Ų | 13 | 71.9 Ų | 71.9 | 7% | 0.07 | 37% | 0.37 | C | S | . | . | trans | -123.3 | 68.9 | -161.8 | -169.2 | 42.2 | 0 | 0 | 0 | 111.6 | F3 K7 T141 R148 | F3-D143 WeakPolarHBondContact CE1-OD2 3.41Å; F3-D143 WeakPolarHBondContact CZ-OD2 3.42Å; K7-D143 IonicContact NZ-OD2 3.22Å; T141-D143 VanDerWaalsContact O-CB 3.32Å; T141-D143 WeakPolarHBondContact O-CB 3.36Å; T141-D143 PolarHBondContact O-N 3.24Å; T141-D143 WeakPolarHBondContact OG1-CB 3.32Å; D143-R148 VanDerWaalsContact CG-CZ 3.42Å; D143-R148 WeakPolarHBondContact OD1-CD 3Å; D143-R148 WeakPolarHBondContact OD1-CG 3Å; D143-R148 IonicContact OD1-CZ 3.99Å; D143-R148 IonicContact OD1-NE 3.74Å; D143-R148 PolarHBondContact OD1-NE 2.92Å; D143-R148 IonicContact OD1-NH1 3.8Å; D143-R148 IonicContact OD1-NH2 2.6Å; D143-R148 PolarHBondContact OD1-NH2 3.16Å; D143-R148 IonicContact OD2-CZ 2.66Å; D143-R148 IonicContact OD2-NE 2.67Å; D143-R148 PolarHBondContact OD2-NE 3.28Å; D143-R148 IonicContact OD2-NH2 3.73Å; D143-R148 PolarHBondContact OD2-NH2 3.19Å | ||
| 144 | T | 83.1 | Confident | 72 | Confident | 56 Ų | 56 | 72.5 Ų | 72.5 | 34% | 0.344 | 38% | 0.377 | S | S | . | . | trans | -70.5 | 157.5 | -179.4 | 83.2 | 0 | 0 | 0 | 0 | 111.3 | E146 M147 R148 | T144-E146 WeakPolarHBondContact CB-OE2 3.46Å; T144-E146 PolarHBondContact O-N 2.8Å; T144-E146 PolarHBondContact OG1-N 2.6Å; T144-E146 PolarHBondContact OG1-OE2 3.34Å; T144-M147 HydrophobicContact CG2-SD 4.17Å; T144-M147 WeakPolarHBondContact OG1-CG 3.22Å; T144-M147 PolarHBondContact OG1-N 2.81Å; T144-R148 WeakPolarHBondContact O-CG 3.46Å; T144-R148 PolarHBondContact O-N 2.81Å | ||
| 145 | P | 82.9 | Confident | 73.6 | Confident | 19 Ų | 19 | 74.8 Ų | 74.8 | 12% | 0.123 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -52 | -41.5 | 170.3 | -27.9 | 37.3 | 0 | 0 | 0 | 113.3 | V120 V123 T124 Y127 R148 V149 | V120-P145 HydrophobicContact CG1-CB 4.24Å; V123-P145 HydrophobicContact CB-CB 4.28Å; V123-P145 HydrophobicContact CG1-CB 3.81Å; V123-P145 HydrophobicContact CG1-CG 4.4Å; T124-P145 WeakPolarHBondContact OG1-CB 3.21Å; T124-P145 WeakPolarHBondContact OG1-CG 3.47Å; Y127-P145 HydrophobicContact CD2-CG 3.88Å; Y127-P145 HydrophobicContact CE2-CG 3.77Å; P145-R148 VanDerWaalsContact O-CB 3.32Å; P145-R148 WeakPolarHBondContact O-CB 2.99Å; P145-R148 PolarHBondContact O-N 2.72Å; P145-V149 WeakPolarHBondContact O-CG2 2.85Å; P145-V149 PolarHBondContact O-N 2.83Å |
| 146 | E | 89.6 | Confident | 75.4 | Confident | 94 Ų | 94 | 71 Ų | 71 | 44% | 0.439 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.1 | -50.8 | -177.1 | -56.4 | 73.9 | -160.7 | 0 | 0 | 111 | V120 T144 R148 V149 D150 | V120-E146 HydrophobicContact CG2-CG 4.31Å; T144-E146 WeakPolarHBondContact CB-OE2 3.46Å; T144-E146 PolarHBondContact O-N 2.8Å; T144-E146 PolarHBondContact OG1-N 2.6Å; T144-E146 PolarHBondContact OG1-OE2 3.34Å; E146-R148 PolarHBondContact O-N 2.85Å; E146-V149 WeakPolarHBondContact O-CA 3.35Å; E146-V149 PolarHBondContact O-N 2.9Å; E146-D150 PolarHBondContact O-N 3.42Å |
| 147 | M | 86.3 | Confident | 77.5 | Confident | 75 Ų | 75 | 66.2 Ų | 66.2 | 37% | 0.369 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.8 | -24.3 | 175.8 | -67.7 | 175.9 | 68.3 | 0 | 0 | 112.6 | E142 T144 K151 | E142-M147 WeakPolarHBondContact O-CE 3.19Å; E142-M147 VanDerWaalsContact O-SD 3.35Å; T144-M147 HydrophobicContact CG2-SD 4.17Å; T144-M147 WeakPolarHBondContact OG1-CG 3.22Å; T144-M147 PolarHBondContact OG1-N 2.81Å; M147-K151 WeakPolarHBondContact O-CD 3.26Å; M147-K151 WeakPolarHBondContact O-CG 3.02Å |
| 148 | R | 80.4 | Confident | 79.6 | Confident | 41 Ų | 41 | 65.6 Ų | 65.6 | 16% | 0.155 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -76.2 | -46.6 | 173.2 | -76.4 | -71.3 | 179 | -154.5 | -9.1 | 111.7 | F3 D143 T144 P145 E146 D150 K151 I152 | F3-R148 VanDerWaalsContact CZ-CZ 3.47Å; D143-R148 VanDerWaalsContact CG-CZ 3.42Å; D143-R148 WeakPolarHBondContact OD1-CD 3Å; D143-R148 WeakPolarHBondContact OD1-CG 3Å; D143-R148 IonicContact OD1-CZ 3.99Å; D143-R148 IonicContact OD1-NE 3.74Å; D143-R148 PolarHBondContact OD1-NE 2.92Å; D143-R148 IonicContact OD1-NH1 3.8Å; D143-R148 IonicContact OD1-NH2 2.6Å; D143-R148 PolarHBondContact OD1-NH2 3.16Å; D143-R148 IonicContact OD2-CZ 2.66Å; D143-R148 IonicContact OD2-NE 2.67Å; D143-R148 PolarHBondContact OD2-NE 3.28Å; D143-R148 IonicContact OD2-NH2 3.73Å; D143-R148 PolarHBondContact OD2-NH2 3.19Å; T144-R148 WeakPolarHBondContact O-CG 3.46Å; T144-R148 PolarHBondContact O-N 2.81Å; P145-R148 VanDerWaalsContact O-CB 3.32Å; P145-R148 WeakPolarHBondContact O-CB 2.99Å; P145-R148 PolarHBondContact O-N 2.72Å; E146-R148 PolarHBondContact O-N 2.85Å; R148-D150 VanDerWaalsContact C-N 3.31Å; R148-D150 PolarHBondContact O-N 3.05Å; R148-K151 PolarHBondContact O-N 3.46Å; R148-I152 WeakPolarHBondContact O-CD1 3.31Å; R148-I152 VanDerWaalsContact O-CG1 3.23Å; R148-I152 WeakPolarHBondContact O-CG1 2.87Å; R148-I152 PolarHBondContact O-N 2.57Å |
| 149 | V | 87.7 | Confident | 81.7 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.012 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.4 | -45.3 | 175.5 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | R116 M119 V120 V123 P145 E146 K151 I152 F153 | R116-V149 HydrophobicContact CB-CG1 3.99Å; R116-V149 HydrophobicContact CG-CG1 4.07Å; M119-V149 HydrophobicContact CB-CG1 4.23Å; M119-V149 HydrophobicContact CB-CG2 3.92Å; M119-V149 HydrophobicContact CG-CG2 3.73Å; M119-V149 HydrophobicContact SD-CB 4.49Å; M119-V149 HydrophobicContact SD-CG1 4.23Å; M119-V149 HydrophobicContact SD-CG2 4.04Å; V120-V149 HydrophobicContact CB-CG2 4.35Å; V120-V149 HydrophobicContact CG2-CB 3.95Å; V120-V149 HydrophobicContact CG2-CG1 4.25Å; V120-V149 HydrophobicContact CG2-CG2 3.54Å; V123-V149 HydrophobicContact CG2-CG2 4.42Å; P145-V149 WeakPolarHBondContact O-CG2 2.85Å; P145-V149 PolarHBondContact O-N 2.83Å; E146-V149 WeakPolarHBondContact O-CA 3.35Å; E146-V149 PolarHBondContact O-N 2.9Å; V149-K151 VanDerWaalsContact C-N 3.34Å; V149-K151 PolarHBondContact O-N 3.35Å; V149-I152 WeakPolarHBondContact O-CB 3.06Å; V149-I152 PolarHBondContact O-N 2.65Å; V149-F153 HydrophobicContact CG1-CD2 3.63Å; V149-F153 HydrophobicContact CG1-CE2 3.69Å; V149-F153 WeakPolarHBondContact O-CD2 3.46Å; V149-F153 PolarHBondContact O-N 2.61Å |
| 150 | D | 90.7 | Very high | 83.9 | Confident | 72 Ų | 72 | 69.4 Ų | 69.4 | 39% | 0.385 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -53 | -50.4 | 176.7 | -67.8 | -27.2 | 0 | 0 | 0 | 112.5 | R116 E146 R148 I152 F153 D154 | R116-D150 IonicContact CZ-OD1 3.64Å; R116-D150 IonicContact NH1-OD1 3.78Å; R116-D150 PolarHBondContact NH1-OD1 3.23Å; E146-D150 PolarHBondContact O-N 3.42Å; R148-D150 VanDerWaalsContact C-N 3.31Å; R148-D150 PolarHBondContact O-N 3.05Å; D150-I152 PolarHBondContact O-N 2.64Å; D150-F153 PolarHBondContact O-N 2.77Å; D150-D154 WeakPolarHBondContact O-CB 3.38Å; D150-D154 PolarHBondContact O-N 2.68Å |
| 151 | K | 87.7 | Confident | 86 | Confident | 112 Ų | 112 | 68.8 Ų | 68.8 | 49% | 0.487 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.4 | -23.6 | 179.6 | -69.5 | 171.1 | -174.6 | 167.4 | 0 | 113.7 | M147 R148 V149 | M147-K151 WeakPolarHBondContact O-CD 3.26Å; M147-K151 WeakPolarHBondContact O-CG 3.02Å; R148-K151 PolarHBondContact O-N 3.46Å; V149-K151 VanDerWaalsContact C-N 3.34Å; V149-K151 PolarHBondContact O-N 3.35Å |
| 152 | I | 87.5 | Confident | 88 | Confident | 17 Ų | 17 | 69.9 Ų | 69.9 | 9% | 0.087 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -80.3 | -50 | 178.7 | -63.9 | 153.1 | 0 | 0 | 0 | 108.8 | F4 M119 R148 V149 D150 D154 S155 M156 | F4-I152 HydrophobicContact CD2-CD1 3.33Å; F4-I152 HydrophobicContact CD2-CG1 3.64Å; F4-I152 HydrophobicContact CD2-CG2 4.23Å; F4-I152 HydrophobicContact CE2-CD1 3.8Å; F4-I152 HydrophobicContact CE2-CG1 4.28Å; F4-I152 HydrophobicContact CE2-CG2 4.17Å; F4-I152 HydrophobicContact CG-CD1 4.48Å; M119-I152 HydrophobicContact CE-CG2 3.9Å; M119-I152 HydrophobicContact SD-CB 4Å; M119-I152 HydrophobicContact SD-CD1 3.6Å; M119-I152 HydrophobicContact SD-CG1 4.41Å; M119-I152 HydrophobicContact SD-CG2 3.74Å; R148-I152 WeakPolarHBondContact O-CD1 3.31Å; R148-I152 VanDerWaalsContact O-CG1 3.23Å; R148-I152 WeakPolarHBondContact O-CG1 2.87Å; R148-I152 PolarHBondContact O-N 2.57Å; V149-I152 WeakPolarHBondContact O-CB 3.06Å; V149-I152 PolarHBondContact O-N 2.65Å; D150-I152 PolarHBondContact O-N 2.64Å; I152-D154 PolarHBondContact O-N 2.75Å; I152-S155 PolarHBondContact O-N 2.77Å; I152-M156 HydrophobicContact CG2-CG 4.37Å; I152-M156 HydrophobicContact CG2-SD 3.81Å; I152-M156 WeakPolarHBondContact O-CB 3.46Å; I152-M156 PolarHBondContact O-N 3.27Å |
| 153 | F | 92.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 0% | 0.004 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60 | -45.2 | 177.7 | -86 | -107.1 | 0 | 0 | 0 | 111.3 | I114 R116 M119 V149 D150 S155 M156 D157 D162 L164 | I114-F153 WeakPolarHBondContact O-CZ 3.32Å; R116-F153 HydrophobicContact CB-CE2 4.47Å; R116-F153 HydrophobicContact CB-CZ 4.29Å; R116-F153 HydrophobicContact CG-CD1 3.77Å; R116-F153 HydrophobicContact CG-CD2 4.05Å; R116-F153 HydrophobicContact CG-CE1 3.56Å; R116-F153 HydrophobicContact CG-CE2 3.86Å; R116-F153 HydrophobicContact CG-CG 4.01Å; R116-F153 HydrophobicContact CG-CZ 3.63Å; M119-F153 HydrophobicContact CB-CE2 4.3Å; M119-F153 HydrophobicContact CE-CD2 4.39Å; M119-F153 HydrophobicContact CE-CE2 3.69Å; M119-F153 HydrophobicContact CE-CZ 4.48Å; M119-F153 HydrophobicContact SD-CD2 4.2Å; M119-F153 HydrophobicContact SD-CE2 3.79Å; V149-F153 HydrophobicContact CG1-CD2 3.63Å; V149-F153 HydrophobicContact CG1-CE2 3.69Å; V149-F153 WeakPolarHBondContact O-CD2 3.46Å; V149-F153 PolarHBondContact O-N 2.61Å; D150-F153 PolarHBondContact O-N 2.77Å; F153-S155 PolarHBondContact O-N 2.74Å; F153-M156 PolarHBondContact O-N 3.39Å; F153-M156 VanDerWaalsContact O-N 3.13Å; F153-D157 HydrophobicContact CD1-CB 4.16Å; F153-D157 VanDerWaalsContact O-CB 3.29Å; F153-D157 WeakPolarHBondContact O-CB 3.22Å; F153-D157 PolarHBondContact O-N 3.25Å; F153-D162 WeakPolarHBondContact CE1-O 3.06Å; F153-L164 HydrophobicContact CD1-CD2 4.46Å; F153-L164 HydrophobicContact CD1-CG 4.44Å; F153-L164 HydrophobicContact CE1-CD2 4.47Å; F153-L164 HydrophobicContact CE1-CG 4.03Å; F153-L164 HydrophobicContact CE2-CD1 4.22Å; F153-L164 HydrophobicContact CE2-CG 4.38Å; F153-L164 HydrophobicContact CZ-CD1 4.29Å; F153-L164 HydrophobicContact CZ-CG 3.98Å |
| 154 | D | 91.3 | Very high | 90.8 | Very high | 133 Ų | 133 | 63.5 Ų | 63.5 | 71% | 0.711 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -53.4 | -25.8 | 175.1 | -73.9 | -13.4 | 0 | 0 | 0 | 113.8 | D150 I152 | D150-D154 WeakPolarHBondContact O-CB 3.38Å; D150-D154 PolarHBondContact O-N 2.68Å; I152-D154 PolarHBondContact O-N 2.75Å |
| 155 | S | 88.3 | Confident | 91.5 | Very high | 58 Ų | 58 | 61.7 Ų | 61.7 | 41% | 0.406 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -101.5 | -25.5 | -177.4 | -178 | 0 | 0 | 0 | 0 | 114.3 | I152 F153 | I152-S155 PolarHBondContact O-N 2.77Å; F153-S155 PolarHBondContact O-N 2.74Å |
| 156 | M | 91.4 | Very high | 92 | Very high | 7 Ų | 7 | 64.3 Ų | 64.3 | 3% | 0.034 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -114.8 | -32.2 | -169.6 | -66.2 | -170.4 | 173 | 0 | 0 | 113.1 | I152 F153 T158 L164 E168 | I152-M156 HydrophobicContact CG2-CG 4.37Å; I152-M156 HydrophobicContact CG2-SD 3.81Å; I152-M156 WeakPolarHBondContact O-CB 3.46Å; I152-M156 PolarHBondContact O-N 3.27Å; F153-M156 PolarHBondContact O-N 3.39Å; F153-M156 VanDerWaalsContact O-N 3.13Å; M156-T158 PolarHBondContact O-N 3.32Å; M156-L164 HydrophobicContact CB-CD1 4.13Å; M156-L164 HydrophobicContact CB-CD2 3.67Å; M156-L164 HydrophobicContact SD-CD1 4.34Å; M156-E168 WeakPolarHBondContact O-CB 3.11Å |
| 157 | D | 94 | Very high | 92.4 | Very high | 19 Ų | 19 | 66.2 Ų | 66.2 | 10% | 0.102 | 33% | 0.327 | C | S | . | . | trans | -77 | 91.5 | 176.3 | 178.1 | 2.5 | 0 | 0 | 0 | 108.2 | F153 N159 R160 D161 D162 L164 | F153-D157 HydrophobicContact CD1-CB 4.16Å; F153-D157 VanDerWaalsContact O-CB 3.29Å; F153-D157 WeakPolarHBondContact O-CB 3.22Å; F153-D157 PolarHBondContact O-N 3.25Å; D157-N159 PolarHBondContact OD1-OD1 2.97Å; D157-R160 WeakPolarHBondContact OD1-CA 3.24Å; D157-R160 PolarHBondContact OD1-N 3.37Å; D157-R160 WeakPolarHBondContact OD2-CA 2.91Å; D157-D161 PolarHBondContact OD1-N 3.41Å; D157-D162 WeakPolarHBondContact OD2-CA 3.21Å; D157-D162 PolarHBondContact OD2-N 3.06Å; D157-L164 HydrophobicContact CB-CD2 3.7Å; D157-L164 VanDerWaalsContact N-CD2 3.33Å | ||
| 158 | T | 94.7 | Very high | 92.8 | Very high | 101 Ų | 101 | 63.3 Ų | 63.3 | 62% | 0.62 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -86.2 | -30 | -171.5 | 56.9 | 0 | 0 | 0 | 0 | 112.2 | M156 E168 | M156-T158 PolarHBondContact O-N 3.32Å; T158-E168 PolarHBondContact N-OE1 3.39Å; T158-E168 PolarHBondContact OG1-OE1 3.01Å |
| 159 | N | 96.4 | Very high | 93.3 | Very high | 91 Ų | 91 | 61.5 Ų | 61.5 | 49% | 0.487 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -87 | -11.2 | 177.4 | 71.3 | 4.5 | 0 | 0 | 0 | 112.6 | D157 D161 E168 | D157-N159 PolarHBondContact OD1-OD1 2.97Å; N159-D161 VanDerWaalsContact ND2-CG 3.31Å; N159-D161 PolarHBondContact ND2-OD2 3.11Å; N159-D161 WeakPolarHBondContact OD1-CB 3.43Å; N159-D161 PolarHBondContact OD1-N 2.89Å; N159-D161 PolarHBondContact OD1-OD1 2.94Å; N159-D161 VanDerWaalsContact OD1-OD1 3.07Å; N159-E168 PolarHBondContact N-OE1 2.73Å; N159-E168 PolarHBondContact OD1-OE1 3.39Å |
| 160 | R | 95.4 | Very high | 93.4 | Very high | 219 Ų | 219 | 62.6 Ų | 62.6 | 83% | 0.826 | 31% | 0.311 | S | S | * | . | trans | 61.5 | 39.5 | -179.3 | -58.2 | -176.7 | 174.7 | -176.8 | -2.8 | 113.3 | D157 D162 | D157-R160 WeakPolarHBondContact OD1-CA 3.24Å; D157-R160 PolarHBondContact OD1-N 3.37Å; D157-R160 WeakPolarHBondContact OD2-CA 2.91Å; R160-D162 VanDerWaalsContact C-N 3.34Å | ||
| 161 | D | 97.4 | Very high | 93.4 | Very high | 66 Ų | 66 | 61.3 Ų | 61.3 | 35% | 0.353 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -92.8 | 7.8 | 176.5 | 75.8 | -1.7 | 0 | 0 | 0 | 113.8 | D157 N159 K163 | D157-D161 PolarHBondContact OD1-N 3.41Å; N159-D161 VanDerWaalsContact ND2-CG 3.31Å; N159-D161 PolarHBondContact ND2-OD2 3.11Å; N159-D161 WeakPolarHBondContact OD1-CB 3.43Å; N159-D161 PolarHBondContact OD1-N 2.89Å; N159-D161 PolarHBondContact OD1-OD1 2.94Å; N159-D161 VanDerWaalsContact OD1-OD1 3.07Å; D161-K163 VanDerWaalsContact CG-CG 3.5Å; D161-K163 PolarHBondContact O-N 3.43Å; D161-K163 WeakPolarHBondContact OD1-CG 3.45Å; D161-K163 PolarHBondContact OD1-N 3.45Å; D161-K163 WeakPolarHBondContact OD2-CE 3.5Å |
| 162 | D | 95.9 | Very high | 93.5 | Very high | 93 Ų | 93 | 56.2 Ų | 56.2 | 50% | 0.497 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 68.5 | 17.2 | 175.8 | -152.5 | 44.3 | 0 | 0 | 0 | 114.9 | R116 F153 D157 R160 | R116-D162 VanDerWaalsContact CD-OD1 3.28Å; R116-D162 WeakPolarHBondContact CD-OD1 3.34Å; R116-D162 IonicContact CZ-OD1 2.68Å; R116-D162 IonicContact NE-OD1 2.9Å; R116-D162 PolarHBondContact NE-OD1 3.21Å; R116-D162 IonicContact NH2-OD1 2.94Å; F153-D162 WeakPolarHBondContact CE1-O 3.06Å; D157-D162 WeakPolarHBondContact OD2-CA 3.21Å; D157-D162 PolarHBondContact OD2-N 3.06Å; R160-D162 VanDerWaalsContact C-N 3.34Å |
| 163 | K | 97.6 | Very high | 93.4 | Very high | 58 Ų | 58 | 55.4 Ų | 55.4 | 25% | 0.252 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 164.4 | 173.5 | 56.8 | -176.5 | -173.9 | 166.2 | 0 | 109.4 | Y113 I114 D161 | Y113-K163 HydrophobicContact CD1-CD 3.56Å; Y113-K163 HydrophobicContact CD1-CG 3.97Å; Y113-K163 HydrophobicContact CD2-CD 4.31Å; Y113-K163 HydrophobicContact CE1-CD 4.12Å; Y113-K163 HydrophobicContact CG-CD 3.68Å; Y113-K163 HydrophobicContact CG-CG 4.4Å; I114-K163 CarbonylContact O-C 3.56Å; I114-K163 WeakPolarHBondContact O-CA 3.05Å; D161-K163 VanDerWaalsContact CG-CG 3.5Å; D161-K163 PolarHBondContact O-N 3.43Å; D161-K163 WeakPolarHBondContact OD1-CG 3.45Å; D161-K163 PolarHBondContact OD1-N 3.45Å; D161-K163 WeakPolarHBondContact OD2-CE 3.5Å |
| 164 | L | 96.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 118.3 | 174.6 | -59.4 | 178 | 0 | 0 | 0 | 109.4 | Y113 I114 M119 F153 M156 D157 | Y113-L164 WeakPolarHBondContact CA-O 3.11Å; I114-L164 HydrophobicContact CB-CB 4.25Å; I114-L164 PolarHBondContact N-O 2.78Å; I114-L164 PolarHBondContact O-N 3.03Å; M119-L164 HydrophobicContact CE-CD1 3.64Å; F153-L164 HydrophobicContact CD1-CD2 4.46Å; F153-L164 HydrophobicContact CD1-CG 4.44Å; F153-L164 HydrophobicContact CE1-CD2 4.47Å; F153-L164 HydrophobicContact CE1-CG 4.03Å; F153-L164 HydrophobicContact CE2-CD1 4.22Å; F153-L164 HydrophobicContact CE2-CG 4.38Å; F153-L164 HydrophobicContact CZ-CD1 4.29Å; F153-L164 HydrophobicContact CZ-CG 3.98Å; M156-L164 HydrophobicContact CB-CD1 4.13Å; M156-L164 HydrophobicContact CB-CD2 3.67Å; M156-L164 HydrophobicContact SD-CD1 4.34Å; D157-L164 HydrophobicContact CB-CD2 3.7Å; D157-L164 VanDerWaalsContact N-CD2 3.33Å |
| 165 | S | 97.3 | Very high | 92.7 | Very high | 17 Ų | 17 | 62.1 Ų | 62.1 | 12% | 0.119 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 161.5 | 164.1 | 60.6 | 0 | 0 | 0 | 0 | 111.2 | E167 E168 F169 | S165-E167 PolarHBondContact O-N 2.6Å; S165-E168 PolarHBondContact N-OE2 2.9Å; S165-E168 VanDerWaalsContact N-OE2 3.11Å; S165-E168 PolarHBondContact O-N 2.69Å; S165-E168 WeakPolarHBondContact OG-CB 3.36Å; S165-E168 VanDerWaalsContact OG-CG 3.26Å; S165-E168 WeakPolarHBondContact OG-CG 3.43Å; S165-E168 PolarHBondContact OG-N 3.17Å; S165-E168 PolarHBondContact OG-OE2 2.95Å; S165-F169 WeakPolarHBondContact O-CB 3.48Å; S165-F169 PolarHBondContact O-N 2.73Å |
| 166 | K | 95.2 | Very high | 92.2 | Very high | 75 Ų | 75 | 59.8 Ų | 59.8 | 33% | 0.326 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.7 | -42.1 | 173.2 | -177.9 | 177.7 | -68.9 | -176.3 | 0 | 111.5 | E100 F103 F169 I170 | E100-K166 HydrophobicContact CG-CD 4.33Å; F103-K166 HydrophobicContact CD2-CB 4.29Å; F103-K166 HydrophobicContact CE1-CB 4.42Å; F103-K166 VanDerWaalsContact CE2-CA 3.47Å; F103-K166 HydrophobicContact CE2-CB 4.1Å; F103-K166 HydrophobicContact CG-CG 4.45Å; F103-K166 HydrophobicContact CZ-CB 4.17Å; K166-F169 PolarHBondContact O-N 3.1Å; K166-I170 HydrophobicContact CD-CD1 4.33Å; K166-I170 HydrophobicContact CG-CD1 3.71Å; K166-I170 HydrophobicContact CG-CG1 4.37Å; K166-I170 WeakPolarHBondContact O-CB 3.44Å; K166-I170 VanDerWaalsContact O-CG1 3.25Å; K166-I170 WeakPolarHBondContact O-CG1 3.31Å; K166-I170 PolarHBondContact O-N 3.47Å |
| 167 | E | 96.1 | Very high | 91.3 | Very high | 134 Ų | 134 | 63 Ų | 63 | 63% | 0.626 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.4 | -45.9 | 179.4 | -67.9 | 68.4 | -150.3 | 0 | 0 | 111.6 | S165 I170 A171 | S165-E167 PolarHBondContact O-N 2.6Å; E167-I170 PolarHBondContact O-N 2.66Å; E167-A171 WeakPolarHBondContact O-CB 3.35Å; E167-A171 PolarHBondContact O-N 2.99Å |
| 168 | E | 94.6 | Very high | 90.1 | Very high | 14 Ų | 14 | 66.5 Ų | 66.5 | 7% | 0.065 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 177.3 | -77.6 | 170.9 | 133.6 | 0 | 0 | 112.1 | M156 T158 N159 S165 G172 | M156-E168 WeakPolarHBondContact O-CB 3.11Å; T158-E168 PolarHBondContact N-OE1 3.39Å; T158-E168 PolarHBondContact OG1-OE1 3.01Å; N159-E168 PolarHBondContact N-OE1 2.73Å; N159-E168 PolarHBondContact OD1-OE1 3.39Å; S165-E168 PolarHBondContact N-OE2 2.9Å; S165-E168 VanDerWaalsContact N-OE2 3.11Å; S165-E168 PolarHBondContact O-N 2.69Å; S165-E168 WeakPolarHBondContact OG-CB 3.36Å; S165-E168 VanDerWaalsContact OG-CG 3.26Å; S165-E168 WeakPolarHBondContact OG-CG 3.43Å; S165-E168 PolarHBondContact OG-N 3.17Å; S165-E168 PolarHBondContact OG-OE2 2.95Å; E168-G172 WeakPolarHBondContact O-CA 3.32Å; E168-G172 PolarHBondContact O-N 3.22Å |
| 169 | F | 91.6 | Very high | 88.7 | Confident | 3 Ų | 3 | 61.7 Ų | 61.7 | 1% | 0.013 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61 | -48.2 | 176.6 | -179.5 | -94.4 | 0 | 0 | 0 | 111.8 | F4 L99 A102 F103 Y106 I114 S165 K166 S173 | F4-F169 HydrophobicContact CZ-CE2 4.35Å; L99-F169 HydrophobicContact CD2-CE1 4.42Å; L99-F169 WeakPolarHBondContact O-CE1 2.76Å; A102-F169 HydrophobicContact CB-CE1 4.35Å; A102-F169 HydrophobicContact CB-CZ 4.36Å; F103-F169 HydrophobicContact CB-CD1 3.98Å; F103-F169 HydrophobicContact CB-CE1 4.11Å; F103-F169 HydrophobicContact CD2-CB 3.72Å; F103-F169 AromaticContact CD2-CD1 3.89Å; F103-F169 HydrophobicContact CD2-CD1 3.89Å; F103-F169 HydrophobicContact CD2-CD2 4.46Å; F103-F169 AromaticContact CD2-CG 3.77Å; F103-F169 HydrophobicContact CD2-CG 3.77Å; F103-F169 HydrophobicContact CE2-CB 4.12Å; F103-F169 HydrophobicContact CG-CD1 4.46Å; Y106-F169 HydrophobicContact CD2-CE2 4.41Å; Y106-F169 HydrophobicContact CD2-CZ 4.42Å; I114-F169 HydrophobicContact CD1-CD2 3.71Å; I114-F169 HydrophobicContact CD1-CE2 4.08Å; I114-F169 HydrophobicContact CD1-CG 4.21Å; S165-F169 WeakPolarHBondContact O-CB 3.48Å; S165-F169 PolarHBondContact O-N 2.73Å; K166-F169 PolarHBondContact O-N 3.1Å; F169-S173 WeakPolarHBondContact O-CB 3.37Å; F169-S173 PolarHBondContact O-N 3.38Å; F169-S173 PolarHBondContact O-OG 3.24Å |
| 170 | I | 90.3 | Very high | 87.5 | Confident | 24 Ų | 24 | 59.5 Ų | 59.5 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.3 | -47.5 | 179.4 | -69 | 173.1 | 0 | 0 | 0 | 110.4 | L99 E100 K166 E167 S173 K174 | L99-I170 HydrophobicContact CB-CG1 4.09Å; L99-I170 HydrophobicContact CD1-CG2 4.1Å; E100-I170 HydrophobicContact CG-CD1 3.98Å; K166-I170 HydrophobicContact CD-CD1 4.33Å; K166-I170 HydrophobicContact CG-CD1 3.71Å; K166-I170 HydrophobicContact CG-CG1 4.37Å; K166-I170 WeakPolarHBondContact O-CB 3.44Å; K166-I170 VanDerWaalsContact O-CG1 3.25Å; K166-I170 WeakPolarHBondContact O-CG1 3.31Å; K166-I170 PolarHBondContact O-N 3.47Å; E167-I170 PolarHBondContact O-N 2.66Å; I170-S173 PolarHBondContact O-N 3.07Å; I170-K174 HydrophobicContact CG2-CD 4Å; I170-K174 HydrophobicContact CG2-CG 4.42Å; I170-K174 WeakPolarHBondContact O-CB 3.08Å; I170-K174 WeakPolarHBondContact O-CG 3.32Å; I170-K174 PolarHBondContact O-N 3.18Å |
| 171 | A | 91.3 | Very high | 86.3 | Confident | 45 Ų | 45 | 54.3 Ų | 54.3 | 37% | 0.372 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E167 S173 K174 R175 | E167-A171 WeakPolarHBondContact O-CB 3.35Å; E167-A171 PolarHBondContact O-N 2.99Å; A171-S173 VanDerWaalsContact C-N 3.31Å; A171-S173 PolarHBondContact O-N 3.32Å; A171-K174 PolarHBondContact O-N 3.29Å; A171-R175 WeakPolarHBondContact O-CG 3.36Å; A171-R175 PolarHBondContact O-N 3.31Å |
| 172 | G | 88.3 | Confident | 84.5 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 6% | 0.062 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M1 E168 R175 | M1-G172 WeakPolarHBondContact CE-O 3.39Å; E168-G172 WeakPolarHBondContact O-CA 3.32Å; E168-G172 PolarHBondContact O-N 3.22Å; G172-R175 PolarHBondContact O-N 3.34Å |
| 173 | S | 85.8 | Confident | 83 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.7 | -36.6 | 178.3 | -62.3 | 0 | 0 | 0 | 0 | 113.1 | F169 I170 A171 R175 D176 I179 | F169-S173 WeakPolarHBondContact O-CB 3.37Å; F169-S173 PolarHBondContact O-N 3.38Å; F169-S173 PolarHBondContact O-OG 3.24Å; I170-S173 PolarHBondContact O-N 3.07Å; A171-S173 VanDerWaalsContact C-N 3.31Å; A171-S173 PolarHBondContact O-N 3.32Å; S173-R175 PolarHBondContact O-N 3.19Å; S173-D176 PolarHBondContact O-N 3.35Å; S173-I179 WeakPolarHBondContact O-CD1 3.34Å |
| 174 | K | 86.4 | Confident | 81.4 | Confident | 89 Ų | 89 | 48.3 Ų | 48.3 | 39% | 0.387 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.9 | -22.4 | 177.7 | -76.4 | 178.8 | 176.3 | 179.7 | 0 | 113.6 | D96 L99 I170 A171 D176 V180 | D96-K174 WeakPolarHBondContact OD1-CE 3.2Å; D96-K174 IonicContact OD1-NZ 2.65Å; D96-K174 PolarHBondContact OD1-NZ 3.08Å; D96-K174 IonicContact OD2-NZ 2.88Å; D96-K174 PolarHBondContact OD2-NZ 3.29Å; L99-K174 HydrophobicContact CD1-CG 4.06Å; I170-K174 HydrophobicContact CG2-CD 4Å; I170-K174 HydrophobicContact CG2-CG 4.42Å; I170-K174 WeakPolarHBondContact O-CB 3.08Å; I170-K174 WeakPolarHBondContact O-CG 3.32Å; I170-K174 PolarHBondContact O-N 3.18Å; A171-K174 PolarHBondContact O-N 3.29Å; K174-D176 VanDerWaalsContact C-N 3.29Å; K174-D176 PolarHBondContact O-N 3.04Å; K174-V180 WeakPolarHBondContact O-CG2 3.13Å |
| 175 | R | 83.6 | Confident | 79.7 | Confident | 185 Ų | 185 | 54.5 Ų | 54.5 | 70% | 0.698 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -20 | 177.7 | -73.5 | 174.6 | -170.9 | -156.1 | 4.7 | 113.4 | M1 A171 G172 S173 S177 | M1-R175 HydrophobicContact CE-CB 3.7Å; A171-R175 WeakPolarHBondContact O-CG 3.36Å; A171-R175 PolarHBondContact O-N 3.31Å; G172-R175 PolarHBondContact O-N 3.34Å; S173-R175 PolarHBondContact O-N 3.19Å; R175-S177 PolarHBondContact O-N 3.02Å |
| 176 | D | 76.3 | Confident | 77.5 | Confident | 10 Ų | 10 | 55.5 Ų | 55.5 | 5% | 0.053 | 28% | 0.283 | C | S | . | . | trans | -88.5 | 108.7 | 176.7 | -165.1 | -33.8 | 0 | 0 | 0 | 109.8 | M1 S173 K174 W178 I179 V180 | M1-D176 VanDerWaalsContact C-OD2 3.24Å; M1-D176 VanDerWaalsContact CB-OD2 3.22Å; M1-D176 WeakPolarHBondContact CB-OD2 3.26Å; M1-D176 HydrophobicContact CE-CB 4.07Å; M1-D176 HydrophobicContact CG-CB 4.05Å; M1-D176 WeakPolarHBondContact CG-OD2 3.39Å; M1-D176 HydrophobicContact SD-CB 4.25Å; S173-D176 PolarHBondContact O-N 3.35Å; K174-D176 VanDerWaalsContact C-N 3.29Å; K174-D176 PolarHBondContact O-N 3.04Å; D176-W178 PolarHBondContact O-N 3.37Å; D176-W178 VanDerWaalsContact O-N 3.09Å; D176-W178 VanDerWaalsContact OD1-CB 3.28Å; D176-W178 WeakPolarHBondContact OD1-CB 3.26Å; D176-W178 PolarHBondContact OD1-N 3.21Å; D176-I179 HydrophobicContact CB-CB 4.1Å; D176-I179 HydrophobicContact CB-CD1 3.22Å; D176-I179 HydrophobicContact CB-CG1 3.48Å; D176-I179 VanDerWaalsContact CB-CG1 3.48Å; D176-I179 WeakPolarHBondContact O-CB 3.5Å; D176-I179 PolarHBondContact O-N 3.44Å; D176-V180 PolarHBondContact O-N 2.98Å | ||
| 177 | S | 73.7 | Confident | 74.8 | Confident | 73 Ų | 73 | 56.2 Ų | 56.2 | 51% | 0.51 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -55.7 | -28.3 | 177.4 | -174.6 | 0 | 0 | 0 | 0 | 112.8 | R175 K181 | R175-S177 PolarHBondContact O-N 3.02Å; S177-K181 WeakPolarHBondContact O-CB 3.35Å; S177-K181 WeakPolarHBondContact O-CD 3.11Å; S177-K181 WeakPolarHBondContact O-CG 3.25Å; S177-K181 PolarHBondContact O-N 3.14Å; S177-K181 VanDerWaalsContact O-N 3.12Å |
| 178 | W | 68.8 | Low | 71.8 | Confident | 93 Ų | 93 | 57 Ų | 57 | 35% | 0.352 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -71.9 | -43.2 | 176.5 | 167.5 | -94 | 0 | 0 | 0 | 112.2 | F5 R9 D176 V180 K181 A182 | F5-W178 VanDerWaalsContact CB-CD1 3.45Å; R9-W178 HydrophobicContact CG-CZ2 4.49Å; D176-W178 PolarHBondContact O-N 3.37Å; D176-W178 VanDerWaalsContact O-N 3.09Å; D176-W178 VanDerWaalsContact OD1-CB 3.28Å; D176-W178 WeakPolarHBondContact OD1-CB 3.26Å; D176-W178 PolarHBondContact OD1-N 3.21Å; W178-V180 VanDerWaalsContact C-N 3.34Å; W178-V180 PolarHBondContact O-N 3.2Å; W178-K181 WeakPolarHBondContact O-CB 3.44Å; W178-K181 PolarHBondContact O-N 3.26Å; W178-A182 WeakPolarHBondContact O-CB 3.41Å; W178-A182 PolarHBondContact O-N 2.81Å |
| 179 | I | 64.2 | Low | 68.8 | Low | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.3 | -52.7 | 176.8 | -60.5 | 170.4 | 0 | 0 | 0 | 109.7 | F5 L99 S173 D176 K181 A182 L183 | F5-I179 HydrophobicContact CB-CG1 4.36Å; F5-I179 HydrophobicContact CD1-CB 4.36Å; F5-I179 HydrophobicContact CD1-CD1 4.18Å; F5-I179 HydrophobicContact CD1-CG1 3.52Å; F5-I179 HydrophobicContact CD1-CG2 4.29Å; F5-I179 HydrophobicContact CD2-CD1 3.33Å; F5-I179 HydrophobicContact CD2-CG1 3.19Å; F5-I179 HydrophobicContact CE1-CB 4.26Å; F5-I179 HydrophobicContact CE1-CD1 3.73Å; F5-I179 HydrophobicContact CE1-CG1 3.51Å; F5-I179 HydrophobicContact CE1-CG2 3.82Å; F5-I179 HydrophobicContact CE2-CD1 2.81Å; F5-I179 HydrophobicContact CE2-CG1 3.23Å; F5-I179 HydrophobicContact CG-CD1 4.03Å; F5-I179 HydrophobicContact CG-CG1 3.39Å; F5-I179 HydrophobicContact CZ-CB 4.38Å; F5-I179 HydrophobicContact CZ-CD1 3.03Å; F5-I179 HydrophobicContact CZ-CG1 3.37Å; F5-I179 HydrophobicContact CZ-CG2 4.11Å; L99-I179 HydrophobicContact CD2-CG2 4.38Å; S173-I179 WeakPolarHBondContact O-CD1 3.34Å; D176-I179 HydrophobicContact CB-CB 4.1Å; D176-I179 HydrophobicContact CB-CD1 3.22Å; D176-I179 HydrophobicContact CB-CG1 3.48Å; D176-I179 VanDerWaalsContact CB-CG1 3.48Å; D176-I179 WeakPolarHBondContact O-CB 3.5Å; D176-I179 PolarHBondContact O-N 3.44Å; I179-K181 PolarHBondContact O-N 3.14Å; I179-A182 PolarHBondContact O-N 2.86Å; I179-A182 VanDerWaalsContact O-N 3.09Å; I179-L183 HydrophobicContact CG2-CD1 3.69Å; I179-L183 HydrophobicContact CG2-CG 4.17Å; I179-L183 WeakPolarHBondContact O-CB 3.49Å; I179-L183 WeakPolarHBondContact O-CG 3.33Å; I179-L183 PolarHBondContact O-N 3.16Å |
| 180 | V | 70.7 | Confident | 66 | Low | 45 Ų | 45 | 65.2 Ų | 65.2 | 27% | 0.273 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56.8 | -43.7 | -179.1 | 173.7 | 0 | 0 | 0 | 0 | 109.9 | I95 K174 D176 W178 S184 | I95-V180 HydrophobicContact CD1-CG1 4.06Å; K174-V180 WeakPolarHBondContact O-CG2 3.13Å; D176-V180 PolarHBondContact O-N 2.98Å; W178-V180 VanDerWaalsContact C-N 3.34Å; W178-V180 PolarHBondContact O-N 3.2Å; V180-S184 VanDerWaalsContact O-CB 3.23Å; V180-S184 WeakPolarHBondContact O-CB 3.42Å; V180-S184 PolarHBondContact O-N 3.17Å; V180-S184 PolarHBondContact O-OG 3.23Å |
| 181 | K | 70.4 | Confident | 62.9 | Low | 110 Ų | 110 | 73 Ų | 73 | 48% | 0.478 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.3 | -48.7 | 174.8 | -76.9 | 170.8 | -175.3 | 172.4 | 0 | 112.4 | S177 W178 I179 L183 S184 F185 | S177-K181 WeakPolarHBondContact O-CB 3.35Å; S177-K181 WeakPolarHBondContact O-CD 3.11Å; S177-K181 WeakPolarHBondContact O-CG 3.25Å; S177-K181 PolarHBondContact O-N 3.14Å; S177-K181 VanDerWaalsContact O-N 3.12Å; W178-K181 WeakPolarHBondContact O-CB 3.44Å; W178-K181 PolarHBondContact O-N 3.26Å; I179-K181 PolarHBondContact O-N 3.14Å; K181-L183 PolarHBondContact O-N 3.26Å; K181-S184 WeakPolarHBondContact O-CB 3.46Å; K181-S184 PolarHBondContact O-N 3.4Å; K181-S184 VanDerWaalsContact O-N 3.12Å; K181-F185 HydrophobicContact CB-CD2 4.34Å; K181-F185 HydrophobicContact CB-CE2 4.04Å; K181-F185 WeakPolarHBondContact O-CD2 3.42Å; K181-F185 PolarHBondContact O-N 3.16Å |
| 182 | A | 60.6 | Low | 60.1 | Low | 22 Ų | 22 | 79.9 Ų | 79.9 | 18% | 0.182 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -59.5 | -46.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E12 W178 I179 S184 F185 | E12-A182 WeakPolarHBondContact OE2-CB 3.49Å; W178-A182 WeakPolarHBondContact O-CB 3.41Å; W178-A182 PolarHBondContact O-N 2.81Å; I179-A182 PolarHBondContact O-N 2.86Å; I179-A182 VanDerWaalsContact O-N 3.09Å; A182-S184 VanDerWaalsContact C-N 3.28Å; A182-S184 PolarHBondContact O-N 3.46Å; A182-F185 PolarHBondContact O-N 3.39Å |
| 183 | L | 63.4 | Low | 58.6 | Low | 19 Ų | 19 | 83.6 Ų | 83.6 | 10% | 0.099 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -66.5 | -29.4 | 175.8 | -64.4 | 178.6 | 0 | 0 | 0 | 112.8 | E12 I95 K98 L99 I179 K181 | E12-L183 VanDerWaalsContact OE1-CD2 3.28Å; E12-L183 WeakPolarHBondContact OE1-CD2 3.33Å; I95-L183 HydrophobicContact CG1-CB 4.22Å; I95-L183 HydrophobicContact CG2-CD1 3.99Å; K98-L183 HydrophobicContact CB-CD2 4.1Å; K98-L183 HydrophobicContact CD-CB 4.4Å; K98-L183 HydrophobicContact CD-CD2 4.18Å; K98-L183 PolarHBondContact NZ-O 3.04Å; L99-L183 HydrophobicContact CD1-CD1 4.48Å; L99-L183 HydrophobicContact CD2-CD1 3.68Å; L99-L183 HydrophobicContact CG-CD1 3.82Å; I179-L183 HydrophobicContact CG2-CD1 3.69Å; I179-L183 HydrophobicContact CG2-CG 4.17Å; I179-L183 WeakPolarHBondContact O-CB 3.49Å; I179-L183 WeakPolarHBondContact O-CG 3.33Å; I179-L183 PolarHBondContact O-N 3.16Å; K181-L183 PolarHBondContact O-N 3.26Å |
| 184 | S | 65.6 | Low | 57.2 | Low | 50 Ų | 50 | 88 Ų | 88 | 35% | 0.35 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -75.6 | -37.9 | 176.7 | -61.7 | 0 | 0 | 0 | 0 | 113.3 | V180 K181 A182 G186 N187 | V180-S184 VanDerWaalsContact O-CB 3.23Å; V180-S184 WeakPolarHBondContact O-CB 3.42Å; V180-S184 PolarHBondContact O-N 3.17Å; V180-S184 PolarHBondContact O-OG 3.23Å; K181-S184 WeakPolarHBondContact O-CB 3.46Å; K181-S184 PolarHBondContact O-N 3.4Å; K181-S184 VanDerWaalsContact O-N 3.12Å; A182-S184 VanDerWaalsContact C-N 3.28Å; A182-S184 PolarHBondContact O-N 3.46Å; S184-G186 PolarHBondContact O-N 3.19Å; S184-N187 PolarHBondContact O-N 3.13Å; S184-N187 VanDerWaalsContact O-N 3.12Å |
| 185 | F | 59.9 | Low | 55.6 | Low | 130 Ų | 130 | 87.9 Ų | 87.9 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.1 | -24.2 | -178.3 | -79.3 | -65 | 0 | 0 | 0 | 113.4 | K181 A182 N187 Q188 | K181-F185 HydrophobicContact CB-CD2 4.34Å; K181-F185 HydrophobicContact CB-CE2 4.04Å; K181-F185 WeakPolarHBondContact O-CD2 3.42Å; K181-F185 PolarHBondContact O-N 3.16Å; A182-F185 PolarHBondContact O-N 3.39Å; F185-N187 PolarHBondContact O-N 3.34Å; F185-Q188 PolarHBondContact O-N 3.31Å; F185-Q188 VanDerWaalsContact O-N 3.12Å |
| 186 | G | 50.2 | Low | 54 | Low | 38 Ų | 38 | 82.2 Ų | 82.2 | 39% | 0.392 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -24.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S184 | S184-G186 PolarHBondContact O-N 3.19Š|
| 187 | N | 38.7 | Very low | 52.6 | Low | 89 Ų | 89 | 86.8 Ų | 86.8 | 48% | 0.476 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -9.1 | 179.5 | -71.9 | 10.4 | 0 | 0 | 0 | 113.8 | S91 K98 S184 F185 | S91-N187 PolarHBondContact O-OD1 3.11Å; K98-N187 PolarHBondContact NZ-OD1 3.35Å; S184-N187 PolarHBondContact O-N 3.13Å; S184-N187 VanDerWaalsContact O-N 3.12Å; F185-N187 PolarHBondContact O-N 3.34Å |
| 188 | Q | 33.3 | Very low | 51.1 | Low | 152 Ų | 152 | 87.7 Ų | 87.7 | 71% | 0.71 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -105.6 | -3.3 | -173.6 | -66.7 | -150.9 | -22.7 | 0 | 0 | 115.4 | F185 G190 | F185-Q188 PolarHBondContact O-N 3.31Å; F185-Q188 VanDerWaalsContact O-N 3.12Å; Q188-G190 VanDerWaalsContact C-N 3.28Å; Q188-G190 PolarHBondContact O-N 3.05Å |
| 189 | T | 32.6 | Very low | 49.9 | Very low | 115 Ų | 115 | 87.3 Ų | 87.3 | 71% | 0.706 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 12.3 | 177.5 | 54.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 190 | G | 31.1 | Very low | 48.8 | Very low | 74 Ų | 74 | 93.9 Ų | 93.9 | 76% | 0.763 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 5 | 175 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q188 | Q188-G190 VanDerWaalsContact C-N 3.28Å; Q188-G190 PolarHBondContact O-N 3.05Å |
| 191 | Q | 26.4 | Very low | 47 | Very low | 188 Ų | 188 | 98 Ų | 98 | 88% | 0.879 | 58% | 0.577 | S | S | * | * | trans | -129.5 | 82.2 | 177.7 | -68 | -174 | 7.4 | 0 | 0 | 111 | ||||
| 192 | S | 31.4 | Very low | 44.8 | Very low | 189 Ų | 189 | 96.9 Ų | 96.9 | 100% | 1.322 | 59% | 0.586 | S | S | * | * | trans | -155.3 | 0 | 147.6 | 68 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 192 of 192 residues in 150.8 ms
(Link to these results)