| 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 | 63.4 | Low | 93.1 | Very high | 148 Ų | 148 | 34.1 Ų | 34.1 | 73% | 0.729 | 19% | 0.191 | S | C | * | . | 0 | 140.3 | 0 | -159.8 | 176.1 | -83.5 | 0 | 0 | 107.9 | I210 E211 | M1-I210 HydrophobicContact SD-CG2 4.36Å; M1-E211 HydrophobicContact CE-CB 3.9Å; M1-E211 VanDerWaalsContact CE-O 3.24Å; M1-E211 WeakPolarHBondContact CE-O 3.21Å; M1-E211 HydrophobicContact SD-CB 4.38Å | |||
| 2 | P | 85.2 | Confident | 93.5 | Very high | 110 Ų | 110 | 34.8 Ų | 34.8 | 71% | 0.714 | 19% | 0.189 | S | C | * | . | P | Polyproline II helix | trans | -58.9 | 153.9 | 173.2 | 26.3 | -35.4 | 0 | 0 | 0 | 111 | ||
| 3 | P | 92.5 | Very high | 93.6 | Very high | 59 Ų | 59 | 42.5 Ų | 42.5 | 38% | 0.383 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -65 | 148.6 | 173.6 | 30 | -35.2 | 0 | 0 | 0 | 110.8 | K5 F33 E35 | P3-K5 PolarHBondContact O-N 3.32Å; P3-F33 CarbonylContact C-O 3.52Å; P3-F33 WeakPolarHBondContact CA-O 3.43Å; P3-E35 HydrophobicContact CB-CB 4.37Å; P3-E35 HydrophobicContact CG-CB 3.98Å |
| 4 | L | 95.6 | Very high | 93.7 | Very high | 13 Ų | 13 | 40.5 Ų | 40.5 | 7% | 0.068 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 131 | 173.5 | -65.5 | 167 | 0 | 0 | 0 | 110 | F33 C34 E35 D92 F128 V206 F209 I210 | L4-F33 WeakPolarHBondContact CB-O 3.2Å; L4-F33 PolarHBondContact N-O 3.37Å; L4-C34 CarbonylContact O-C 3.56Å; L4-C34 WeakPolarHBondContact O-CA 3.3Å; L4-E35 PolarHBondContact O-N 3.32Å; L4-D92 VanDerWaalsContact CA-OD2 3.3Å; L4-D92 WeakPolarHBondContact CA-OD2 3.3Å; L4-D92 HydrophobicContact CB-CB 4.01Å; L4-D92 HydrophobicContact CD2-CB 3.7Å; L4-D92 VanDerWaalsContact CD2-CG 3.44Å; L4-D92 HydrophobicContact CG-CB 4.42Å; L4-F128 HydrophobicContact CD1-CE1 4.18Å; L4-V206 HydrophobicContact CD1-CG1 3.49Å; L4-V206 VanDerWaalsContact CD1-CG1 3.49Å; L4-F209 HydrophobicContact CD1-CB 4.16Å; L4-I210 HydrophobicContact CD1-CG1 3.82Å; L4-I210 HydrophobicContact CG-CG1 4.41Å |
| 5 | K | 96.9 | Very high | 93.9 | Very high | 43 Ų | 43 | 39.1 Ų | 39.1 | 19% | 0.187 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 120.4 | -178.8 | -161.9 | 177.6 | -176.1 | 168.8 | 0 | 109.9 | P3 K37 E88 F91 D92 G93 | P3-K5 PolarHBondContact O-N 3.32Å; K5-K37 HydrophobicContact CG-CG 4.17Å; K5-E88 WeakPolarHBondContact CE-O 3.36Å; K5-E88 PolarHBondContact NZ-O 2.79Å; K5-F91 HydrophobicContact CB-CD1 4.28Å; K5-F91 HydrophobicContact CD-CD1 4.02Å; K5-F91 HydrophobicContact CD-CE1 3.92Å; K5-F91 HydrophobicContact CG-CD1 3.7Å; K5-F91 HydrophobicContact CG-CE1 3.81Å; K5-D92 PolarHBondContact N-OD2 2.93Å; K5-D92 PolarHBondContact O-N 2.77Å; K5-G93 PolarHBondContact O-N 2.81Å |
| 6 | V | 98.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 118.5 | -174.4 | -177.5 | 0 | 0 | 0 | 0 | 111.3 | C34 E35 F36 K37 G93 F95 F128 | V6-C34 HydrophobicContact CG2-CB 4.04Å; V6-E35 PolarHBondContact N-O 3.16Å; V6-F36 HydrophobicContact CB-CD1 3.77Å; V6-F36 HydrophobicContact CB-CE1 3.96Å; V6-F36 HydrophobicContact CG1-CD1 3.87Å; V6-F36 HydrophobicContact CG1-CE1 3.91Å; V6-F36 HydrophobicContact CG2-CE1 4.29Å; V6-F36 CarbonylContact O-C 3.53Å; V6-F36 WeakPolarHBondContact O-CA 3.17Å; V6-K37 PolarHBondContact O-N 3.22Å; V6-G93 VanDerWaalsContact CA-O 3.28Å; V6-G93 WeakPolarHBondContact CA-O 3.34Å; V6-F95 HydrophobicContact CG1-CB 3.82Å; V6-F128 HydrophobicContact CG2-CE2 4.3Å; V6-F128 HydrophobicContact CG2-CZ 3.8Å |
| 7 | L | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 130.4 | 175.7 | -179.3 | 56.5 | 0 | 0 | 0 | 111.2 | L9 K37 M39 V81 H84 I85 F91 G93 M94 F95 | L7-L9 HydrophobicContact CD2-CD2 4.49Å; L7-L9 HydrophobicContact CG-CD2 4.13Å; L7-K37 CarbonylContact C-O 3.5Å; L7-K37 WeakPolarHBondContact CA-O 3.36Å; L7-M39 HydrophobicContact CD1-CB 4.33Å; L7-M39 HydrophobicContact CD1-CG 3.93Å; L7-M39 HydrophobicContact CD1-SD 4Å; L7-M39 HydrophobicContact CD2-SD 4.11Å; L7-M39 HydrophobicContact CG-SD 4.39Å; L7-V81 HydrophobicContact CD2-CG1 4.15Å; L7-H84 VanDerWaalsContact CD1-CD2 3.47Å; L7-H84 WeakPolarHBondContact CD1-CD2 3.46Å; L7-I85 HydrophobicContact CD2-CG1 3.99Å; L7-F91 HydrophobicContact CB-CD1 3.7Å; L7-F91 HydrophobicContact CB-CD2 4.42Å; L7-F91 HydrophobicContact CB-CE1 3.82Å; L7-F91 HydrophobicContact CB-CG 4.02Å; L7-F91 HydrophobicContact CB-CZ 4.24Å; L7-F91 HydrophobicContact CD1-CE1 4.33Å; L7-F91 HydrophobicContact CD1-CZ 4.18Å; L7-F91 HydrophobicContact CD2-CD2 4.44Å; L7-F91 HydrophobicContact CD2-CE2 4.29Å; L7-G93 PolarHBondContact N-O 3.22Å; L7-M94 HydrophobicContact CB-CE 4.36Å; L7-M94 HydrophobicContact CB-CG 4.27Å; L7-M94 HydrophobicContact CD2-CE 3.7Å; L7-M94 HydrophobicContact CG-CE 4.15Å; L7-M94 CarbonylContact O-C 3.47Å; L7-M94 VanDerWaalsContact O-CA 3.3Å; L7-M94 WeakPolarHBondContact O-CA 3.5Å; L7-F95 PolarHBondContact O-N 2.89Å |
| 8 | C | 98.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 124.2 | -171 | -56.8 | 0 | 0 | 0 | 0 | 112.2 | F19 K37 F38 M39 F95 | C8-F19 HydrophobicContact CB-CD1 4.13Å; C8-F19 HydrophobicContact CB-CE1 3.83Å; C8-K37 WeakPolarHBondContact CB-O 3.11Å; C8-K37 PolarHBondContact N-O 3.08Å; C8-K37 PolarHBondContact SG-O 3.33Å; C8-F38 HydrophobicContact CB-CD1 3.49Å; C8-F38 VanDerWaalsContact CB-CD1 3.49Å; C8-F38 HydrophobicContact CB-CE1 3.56Å; C8-F38 HydrophobicContact CB-CG 3.98Å; C8-F38 HydrophobicContact CB-CZ 4.12Å; C8-M39 PolarHBondContact O-N 3.4Å; C8-F95 CarbonylContact C-O 3.34Å; C8-F95 VanDerWaalsContact CA-O 3.28Å; C8-F95 WeakPolarHBondContact CA-O 3.29Å; C8-F95 HydrophobicContact CB-CD1 4.29Å |
| 9 | L | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 117.6 | -178.9 | -48.1 | -170.5 | 0 | 0 | 0 | 110.9 | L7 F19 M39 W54 V81 M94 F95 G96 F97 F103 L104 L107 | L7-L9 HydrophobicContact CD2-CD2 4.49Å; L7-L9 HydrophobicContact CG-CD2 4.13Å; L9-F19 VanDerWaalsContact C-CE1 3.46Å; L9-F19 VanDerWaalsContact O-CE1 3.29Å; L9-F19 WeakPolarHBondContact O-CE1 3.48Å; L9-M39 HydrophobicContact CD2-CG 3.8Å; L9-M39 HydrophobicContact CD2-SD 3.81Å; L9-W54 HydrophobicContact CB-CH2 4.24Å; L9-W54 HydrophobicContact CB-CZ2 3.58Å; L9-W54 HydrophobicContact CD2-CH2 3.65Å; L9-W54 HydrophobicContact CD2-CZ2 3.89Å; L9-W54 HydrophobicContact CD2-CZ3 4.47Å; L9-W54 HydrophobicContact CG-CH2 4.36Å; L9-W54 HydrophobicContact CG-CZ2 4.19Å; L9-V81 HydrophobicContact CD2-CG2 4.48Å; L9-M94 HydrophobicContact CD1-CE 4.05Å; L9-M94 HydrophobicContact CD2-CE 4.44Å; L9-M94 HydrophobicContact CG-CE 4.42Å; L9-F95 PolarHBondContact N-O 2.88Å; L9-G96 WeakPolarHBondContact O-CA 3.35Å; L9-F97 PolarHBondContact O-N 3.39Å; L9-F97 VanDerWaalsContact O-N 3.12Å; L9-F103 HydrophobicContact CD1-CD1 3.73Å; L9-F103 HydrophobicContact CD1-CE1 4.23Å; L9-L104 HydrophobicContact CD1-CB 4.07Å; L9-L104 HydrophobicContact CD1-CD1 4.38Å; L9-L107 HydrophobicContact CD1-CD2 4.47Å |
| 10 | H | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -76.4 | 167.5 | -171.7 | 65.7 | 72.6 | 0 | 0 | 0 | 114.1 | Q14 F19 M39 A41 W54 G100 | H10-Q14 HydrophobicContact CB-CB 3.91Å; H10-Q14 PolarHBondContact CE1-O 2.88Å; H10-Q14 PolarHBondContact ND1-O 3.22Å; H10-Q14 PolarHBondContact NE2-O 2.78Å; H10-F19 VanDerWaalsContact CA-CD1 3.48Å; H10-F19 HydrophobicContact CB-CB 3.54Å; H10-F19 HydrophobicContact CB-CD1 3.65Å; H10-F19 HydrophobicContact CB-CD2 4.3Å; H10-F19 HydrophobicContact CB-CE1 4.42Å; H10-F19 HydrophobicContact CB-CG 3.6Å; H10-M39 PolarHBondContact CD2-O 2.96Å; H10-A41 PolarHBondContact NE2-N 3.06Å; H10-W54 PolarHBondContact O-NE1 3.15Å; H10-G100 VanDerWaalsContact O-CA 3.24Å; H10-G100 WeakPolarHBondContact O-CA 3.42Å; H10-G100 PolarHBondContact O-N 3.43Å; H10-G100 VanDerWaalsContact O-N 3.16Å |
| 11 | G | 98.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -78.2 | 170.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q14 F97 | G11-Q14 VanDerWaalsContact O-CB 3.31Å; G11-Q14 WeakPolarHBondContact O-CB 3.24Å; G11-Q14 PolarHBondContact O-N 2.97Å; G11-F97 VanDerWaalsContact CA-O 3.31Å; G11-F97 WeakPolarHBondContact CA-O 3.5Å; G11-F97 PolarHBondContact N-O 3.03Å |
| 12 | Y | 97.1 | Very high | 96.4 | Very high | 42 Ų | 42 | 45.6 Ų | 45.6 | 17% | 0.165 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 143.8 | 175.6 | 179 | -122.8 | 0 | 0 | 0 | 111.8 | Q14 I45 A53 F56 F62 | Y12-Q14 VanDerWaalsContact C-N 3.26Å; Y12-Q14 PolarHBondContact O-N 2.97Å; Y12-I45 HydrophobicContact CD2-CD1 3.84Å; Y12-I45 HydrophobicContact CE2-CD1 3.3Å; Y12-I45 HydrophobicContact CE2-CG1 4.16Å; Y12-A53 HydrophobicContact CD2-CB 3.6Å; Y12-A53 HydrophobicContact CE2-CB 3.68Å; Y12-F56 HydrophobicContact CE2-CE1 4.35Å; Y12-F62 HydrophobicContact CD1-CB 4.21Å; Y12-F62 HydrophobicContact CD1-CD1 4.05Å; Y12-F62 HydrophobicContact CD2-CB 3.78Å; Y12-F62 HydrophobicContact CD2-CD1 4.24Å; Y12-F62 HydrophobicContact CD2-CG 4.33Å; Y12-F62 HydrophobicContact CE1-CB 4.03Å; Y12-F62 HydrophobicContact CE2-CB 3.58Å; Y12-F62 HydrophobicContact CG-CB 4.11Å; Y12-F62 AromaticContact CG-CD1 3.85Å; Y12-F62 HydrophobicContact CG-CD1 3.85Å; Y12-F62 HydrophobicContact CG-CG 4.38Å |
| 13 | R | 95.4 | Very high | 97 | Very high | 135 Ų | 135 | 40.4 Ų | 40.4 | 51% | 0.509 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 29.5 | -175.6 | -64.4 | 174.6 | 175.9 | -149.8 | 0.9 | 114.3 | I45 C52 | R13-I45 HydrophobicContact CB-CD1 4.12Å; R13-I45 HydrophobicContact CG-CD1 3.41Å; R13-I45 VanDerWaalsContact CG-CD1 3.41Å; R13-C52 PolarHBondContact N-O 2.98Å |
| 14 | Q | 95.5 | Very high | 97.2 | Very high | 15 Ų | 15 | 38.9 Ų | 38.9 | 7% | 0.07 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -125.5 | 175.1 | 173 | -56 | -179.2 | -4.5 | 0 | 0 | 110.2 | H10 G11 Y12 V18 K22 C52 | H10-Q14 HydrophobicContact CB-CB 3.91Å; H10-Q14 PolarHBondContact CE1-O 2.88Å; H10-Q14 PolarHBondContact ND1-O 3.22Å; H10-Q14 PolarHBondContact NE2-O 2.78Å; G11-Q14 VanDerWaalsContact O-CB 3.31Å; G11-Q14 WeakPolarHBondContact O-CB 3.24Å; G11-Q14 PolarHBondContact O-N 2.97Å; Y12-Q14 VanDerWaalsContact C-N 3.26Å; Y12-Q14 PolarHBondContact O-N 2.97Å; Q14-V18 HydrophobicContact CB-CB 4.49Å; Q14-V18 HydrophobicContact CB-CG1 4.24Å; Q14-V18 HydrophobicContact CG-CG1 4.18Å; Q14-K22 VanDerWaalsContact NE2-NZ 3.13Å; Q14-C52 PolarHBondContact O-N 3.02Å |
| 15 | N | 96.7 | Very high | 97.2 | Very high | 20 Ų | 20 | 39.9 Ų | 39.9 | 11% | 0.107 | 20% | 0.198 | C | C | . | . | trans | -140.4 | -177.7 | 171.2 | 63.2 | 29.8 | 0 | 0 | 0 | 108.5 | D17 V18 F19 N50 | N15-D17 VanDerWaalsContact C-N 3.33Å; N15-D17 PolarHBondContact O-N 3.08Å; N15-D17 PolarHBondContact OD1-N 3.47Å; N15-D17 VanDerWaalsContact OD1-N 3.08Å; N15-V18 WeakPolarHBondContact OD1-CG2 2.97Å; N15-V18 PolarHBondContact OD1-N 3.29Å; N15-F19 VanDerWaalsContact O-CB 3.31Å; N15-F19 WeakPolarHBondContact O-CB 3.38Å; N15-F19 PolarHBondContact O-N 2.94Å; N15-N50 PolarHBondContact ND2-O 2.84Å | ||
| 16 | S | 97.2 | Very high | 97.1 | Very high | 20 Ų | 20 | 37.9 Ų | 37.9 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.5 | -42.2 | 179.7 | 59 | 0 | 0 | 0 | 0 | 113.5 | R20 S40 | S16-R20 VanDerWaalsContact O-CB 3.23Å; S16-R20 WeakPolarHBondContact O-CB 3.47Å; S16-R20 PolarHBondContact O-N 3.48Å; S16-S40 WeakPolarHBondContact CB-OG 3.46Å; S16-S40 PolarHBondContact N-OG 3.22Å; S16-S40 PolarHBondContact OG-OG 2.84Å; S16-S40 VanDerWaalsContact OG-OG 3.12Å |
| 17 | D | 96.9 | Very high | 97.1 | Very high | 73 Ų | 73 | 41.5 Ų | 41.5 | 39% | 0.39 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -68.5 | -51.3 | -177.6 | -67.1 | -40 | 0 | 0 | 0 | 111.8 | N15 F19 R20 E21 | N15-D17 VanDerWaalsContact C-N 3.33Å; N15-D17 PolarHBondContact O-N 3.08Å; N15-D17 PolarHBondContact OD1-N 3.47Å; N15-D17 VanDerWaalsContact OD1-N 3.08Å; D17-F19 PolarHBondContact O-N 3.35Å; D17-R20 WeakPolarHBondContact O-CB 3.45Å; D17-R20 PolarHBondContact O-N 3.43Å; D17-R20 IonicContact OD1-CZ 2.63Å; D17-R20 IonicContact OD1-NH1 2.71Å; D17-R20 PolarHBondContact OD1-NH1 2.85Å; D17-R20 IonicContact OD1-NH2 3.13Å; D17-R20 PolarHBondContact OD1-NH2 3.12Å; D17-E21 WeakPolarHBondContact O-CG 3.35Å; D17-E21 PolarHBondContact O-N 2.92Å |
| 18 | V | 96.5 | Very high | 96.9 | Very high | 49 Ų | 49 | 49 Ų | 49 | 30% | 0.297 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.2 | -41.3 | 177.1 | 172.8 | 0 | 0 | 0 | 0 | 110.5 | Q14 N15 E21 K22 | Q14-V18 HydrophobicContact CB-CB 4.49Å; Q14-V18 HydrophobicContact CB-CG1 4.24Å; Q14-V18 HydrophobicContact CG-CG1 4.18Å; N15-V18 WeakPolarHBondContact OD1-CG2 2.97Å; N15-V18 PolarHBondContact OD1-N 3.29Å; V18-E21 PolarHBondContact O-N 3.23Å; V18-K22 HydrophobicContact CG1-CD 4.16Å; V18-K22 WeakPolarHBondContact O-CB 3.16Å; V18-K22 WeakPolarHBondContact O-CG 3.26Å; V18-K22 PolarHBondContact O-N 3.01Å |
| 19 | F | 97.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71.6 | -38.7 | 179.8 | -168.3 | -142.3 | 0 | 0 | 0 | 112.3 | C8 L9 H10 N15 D17 E21 K22 T23 F38 F95 F97 I192 | C8-F19 HydrophobicContact CB-CD1 4.13Å; C8-F19 HydrophobicContact CB-CE1 3.83Å; L9-F19 VanDerWaalsContact C-CE1 3.46Å; L9-F19 VanDerWaalsContact O-CE1 3.29Å; L9-F19 WeakPolarHBondContact O-CE1 3.48Å; H10-F19 VanDerWaalsContact CA-CD1 3.48Å; H10-F19 HydrophobicContact CB-CB 3.54Å; H10-F19 HydrophobicContact CB-CD1 3.65Å; H10-F19 HydrophobicContact CB-CD2 4.3Å; H10-F19 HydrophobicContact CB-CE1 4.42Å; H10-F19 HydrophobicContact CB-CG 3.6Å; N15-F19 VanDerWaalsContact O-CB 3.31Å; N15-F19 WeakPolarHBondContact O-CB 3.38Å; N15-F19 PolarHBondContact O-N 2.94Å; D17-F19 PolarHBondContact O-N 3.35Å; F19-E21 VanDerWaalsContact C-N 3.29Å; F19-E21 PolarHBondContact O-N 3.29Å; F19-K22 PolarHBondContact O-N 3.25Å; F19-T23 HydrophobicContact CD2-CG2 3.61Å; F19-T23 HydrophobicContact CE1-CG2 4.49Å; F19-T23 HydrophobicContact CE2-CG2 3.38Å; F19-T23 HydrophobicContact CG-CG2 4.25Å; F19-T23 HydrophobicContact CZ-CG2 3.87Å; F19-T23 WeakPolarHBondContact O-CB 3.25Å; F19-T23 WeakPolarHBondContact O-CG2 3.4Å; F19-T23 PolarHBondContact O-N 3.3Å; F19-T23 PolarHBondContact O-OG1 3.3Å; F19-F38 HydrophobicContact CB-CD1 4.12Å; F19-F38 HydrophobicContact CB-CE1 4.37Å; F19-F38 AromaticContact CD1-CD1 3.59Å; F19-F38 HydrophobicContact CD1-CD1 3.59Å; F19-F38 AromaticContact CD1-CE1 3.64Å; F19-F38 HydrophobicContact CD1-CE1 3.64Å; F19-F38 HydrophobicContact CE1-CD1 4.36Å; F19-F38 HydrophobicContact CE1-CE1 4.12Å; F19-F38 HydrophobicContact CG-CD1 4.1Å; F19-F38 HydrophobicContact CG-CE1 4.03Å; F19-F95 HydrophobicContact CE1-CD1 4.24Å; F19-F95 HydrophobicContact CE1-CE1 4.01Å; F19-F95 HydrophobicContact CE2-CE1 4.15Å; F19-F95 HydrophobicContact CE2-CZ 4.33Å; F19-F95 HydrophobicContact CZ-CD1 4.02Å; F19-F95 AromaticContact CZ-CE1 3.4Å; F19-F95 HydrophobicContact CZ-CE1 3.4Å; F19-F95 AromaticContact CZ-CZ 3.75Å; F19-F95 HydrophobicContact CZ-CZ 3.75Å; F19-F97 HydrophobicContact CE2-CB 3.55Å; F19-F97 HydrophobicContact CE2-CG 4.2Å; F19-F97 HydrophobicContact CZ-CB 3.61Å; F19-I192 HydrophobicContact CE2-CD1 4.16Å |
| 20 | R | 98.1 | Very high | 96.4 | Very high | 99 Ų | 99 | 50.2 Ų | 50.2 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.6 | -40.5 | 173.6 | -177 | 179.6 | 66.8 | -120.6 | -4.8 | 111.9 | S16 D17 T23 R27 F38 | S16-R20 VanDerWaalsContact O-CB 3.23Å; S16-R20 WeakPolarHBondContact O-CB 3.47Å; S16-R20 PolarHBondContact O-N 3.48Å; D17-R20 WeakPolarHBondContact O-CB 3.45Å; D17-R20 PolarHBondContact O-N 3.43Å; D17-R20 IonicContact OD1-CZ 2.63Å; D17-R20 IonicContact OD1-NH1 2.71Å; D17-R20 PolarHBondContact OD1-NH1 2.85Å; D17-R20 IonicContact OD1-NH2 3.13Å; D17-R20 PolarHBondContact OD1-NH2 3.12Å; R20-T23 PolarHBondContact O-OG1 3.33Å; R20-R27 PolarHBondContact O-NE 2.86Å; R20-R27 PolarHBondContact O-NH2 2.83Å; R20-F38 HydrophobicContact CB-CD1 4.04Å; R20-F38 HydrophobicContact CB-CD2 3.87Å; R20-F38 HydrophobicContact CB-CE1 4.19Å; R20-F38 HydrophobicContact CB-CE2 4.03Å; R20-F38 HydrophobicContact CB-CG 3.9Å; R20-F38 HydrophobicContact CB-CZ 4.2Å; R20-F38 HydrophobicContact CG-CD2 3.93Å; R20-F38 HydrophobicContact CG-CE2 3.89Å; R20-F38 HydrophobicContact CG-CG 4.47Å; R20-F38 HydrophobicContact CG-CZ 4.39Å |
| 21 | E | 97 | Very high | 96.2 | Very high | 139 Ų | 139 | 57.3 Ų | 57.3 | 65% | 0.65 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -67.1 | -52.7 | 177.2 | -72.8 | 173.1 | -175.2 | 0 | 0 | 111.6 | D17 V18 F19 T23 G24 | D17-E21 WeakPolarHBondContact O-CG 3.35Å; D17-E21 PolarHBondContact O-N 2.92Å; V18-E21 PolarHBondContact O-N 3.23Å; F19-E21 VanDerWaalsContact C-N 3.29Å; F19-E21 PolarHBondContact O-N 3.29Å; E21-T23 PolarHBondContact O-N 3.34Å; E21-G24 PolarHBondContact O-N 2.77Å; E21-G24 VanDerWaalsContact O-N 3.15Å |
| 22 | K | 95.7 | Very high | 95.8 | Very high | 136 Ų | 136 | 65.6 Ų | 65.6 | 59% | 0.591 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -60 | -30.1 | -179.8 | -74.6 | -176.5 | 178.2 | -174.3 | 0 | 113.7 | Q14 V18 F19 G24 | Q14-K22 VanDerWaalsContact NE2-NZ 3.13Å; V18-K22 HydrophobicContact CG1-CD 4.16Å; V18-K22 WeakPolarHBondContact O-CB 3.16Å; V18-K22 WeakPolarHBondContact O-CG 3.26Å; V18-K22 PolarHBondContact O-N 3.01Å; F19-K22 PolarHBondContact O-N 3.25Å; K22-G24 VanDerWaalsContact C-N 3.34Å |
| 23 | T | 97.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 5.3 | -177.3 | 57.4 | 0 | 0 | 0 | 0 | 113.7 | F19 R20 E21 G25 F26 R27 F38 F95 I192 | F19-T23 HydrophobicContact CD2-CG2 3.61Å; F19-T23 HydrophobicContact CE1-CG2 4.49Å; F19-T23 HydrophobicContact CE2-CG2 3.38Å; F19-T23 HydrophobicContact CG-CG2 4.25Å; F19-T23 HydrophobicContact CZ-CG2 3.87Å; F19-T23 WeakPolarHBondContact O-CB 3.25Å; F19-T23 WeakPolarHBondContact O-CG2 3.4Å; F19-T23 PolarHBondContact O-N 3.3Å; F19-T23 PolarHBondContact O-OG1 3.3Å; R20-T23 PolarHBondContact O-OG1 3.33Å; E21-T23 PolarHBondContact O-N 3.34Å; T23-G25 VanDerWaalsContact C-N 3.32Å; T23-G25 PolarHBondContact O-N 3.01Å; T23-F26 WeakPolarHBondContact O-CB 3.31Å; T23-F26 PolarHBondContact O-N 3.44Å; T23-R27 WeakPolarHBondContact O-CG 3.42Å; T23-R27 PolarHBondContact O-N 2.93Å; T23-R27 PolarHBondContact OG1-NE 3.12Å; T23-F38 HydrophobicContact CG2-CE1 4.31Å; T23-F38 WeakPolarHBondContact OG1-CE1 3.33Å; T23-F38 VanDerWaalsContact OG1-CZ 3.24Å; T23-F38 WeakPolarHBondContact OG1-CZ 3.3Å; T23-F95 HydrophobicContact CG2-CE1 3.76Å; T23-F95 HydrophobicContact CG2-CZ 4.32Å; T23-I192 HydrophobicContact CG2-CD1 3.61Å |
| 24 | G | 96.8 | Very high | 95.7 | Very high | 27 Ų | 27 | 60.4 Ų | 60.4 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -52.9 | -43.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E21 K22 K28 | E21-G24 PolarHBondContact O-N 2.77Å; E21-G24 VanDerWaalsContact O-N 3.15Å; K22-G24 VanDerWaalsContact C-N 3.34Å; G24-K28 WeakPolarHBondContact O-CB 3.34Å; G24-K28 PolarHBondContact O-N 2.95Å |
| 25 | G | 94.8 | Very high | 95.7 | Very high | 35 Ų | 35 | 63.7 Ų | 63.7 | 36% | 0.361 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | T23 S29 | T23-G25 VanDerWaalsContact C-N 3.32Å; T23-G25 PolarHBondContact O-N 3.01Å; G25-S29 PolarHBondContact O-N 3.07Å |
| 26 | F | 96.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64 | -52.1 | 175.1 | 172.4 | -100.6 | 0 | 0 | 0 | 110.9 | T23 K28 S29 L30 F36 F95 I130 I192 T194 Y202 | T23-F26 WeakPolarHBondContact O-CB 3.31Å; T23-F26 PolarHBondContact O-N 3.44Å; F26-K28 VanDerWaalsContact C-N 3.3Å; F26-K28 PolarHBondContact O-N 3.21Å; F26-S29 WeakPolarHBondContact O-CB 3.36Å; F26-S29 PolarHBondContact O-N 3.49Å; F26-S29 PolarHBondContact O-OG 2.68Å; F26-L30 HydrophobicContact CE1-CD1 4.11Å; F26-L30 HydrophobicContact CE2-CD1 4.05Å; F26-L30 HydrophobicContact CZ-CD1 3.64Å; F26-L30 PolarHBondContact O-N 3.3Å; F26-F36 HydrophobicContact CD1-CE1 4.42Å; F26-F36 HydrophobicContact CD1-CZ 4.4Å; F26-F36 HydrophobicContact CE1-CD1 4.49Å; F26-F36 AromaticContact CE1-CE1 3.62Å; F26-F36 HydrophobicContact CE1-CE1 3.62Å; F26-F36 AromaticContact CE1-CZ 3.81Å; F26-F36 HydrophobicContact CE1-CZ 3.81Å; F26-F36 HydrophobicContact CZ-CE1 4.43Å; F26-F95 HydrophobicContact CD1-CD1 4.45Å; F26-F95 HydrophobicContact CD1-CE1 4Å; F26-F95 HydrophobicContact CD1-CZ 4.3Å; F26-F95 AromaticContact CE1-CD1 3.91Å; F26-F95 HydrophobicContact CE1-CD1 3.91Å; F26-F95 HydrophobicContact CE1-CD2 4.47Å; F26-F95 AromaticContact CE1-CE1 3.85Å; F26-F95 HydrophobicContact CE1-CE1 3.85Å; F26-F95 HydrophobicContact CE1-CE2 4.45Å; F26-F95 HydrophobicContact CE1-CG 4.23Å; F26-F95 HydrophobicContact CE1-CZ 4.15Å; F26-F95 HydrophobicContact CZ-CD2 4.44Å; F26-F95 HydrophobicContact CZ-CE2 4.44Å; F26-I130 HydrophobicContact CZ-CD1 3.93Å; F26-I130 HydrophobicContact CZ-CG2 4.36Å; F26-I192 HydrophobicContact CB-CG2 3.91Å; F26-I192 HydrophobicContact CD2-CG2 3.82Å; F26-I192 HydrophobicContact CG-CG2 4.03Å; F26-T194 HydrophobicContact CB-CG2 4.49Å; F26-Y202 AromaticContact CD2-CD2 3.73Å; F26-Y202 HydrophobicContact CD2-CD2 3.73Å; F26-Y202 AromaticContact CD2-CE2 3.45Å; F26-Y202 HydrophobicContact CD2-CE2 3.45Å; F26-Y202 VanDerWaalsContact CD2-CE2 3.45Å; F26-Y202 HydrophobicContact CD2-CG 4.42Å; F26-Y202 AromaticContact CD2-CZ 3.91Å; F26-Y202 HydrophobicContact CE2-CD1 4.15Å; F26-Y202 AromaticContact CE2-CD2 3.69Å; F26-Y202 HydrophobicContact CE2-CD2 3.69Å; F26-Y202 HydrophobicContact CE2-CE1 4.16Å; F26-Y202 AromaticContact CE2-CE2 3.71Å; F26-Y202 HydrophobicContact CE2-CE2 3.71Å; F26-Y202 AromaticContact CE2-CG 3.92Å; F26-Y202 HydrophobicContact CE2-CG 3.92Å; F26-Y202 AromaticContact CE2-CZ 3.92Å |
| 27 | R | 96.5 | Very high | 95.9 | Very high | 77 Ų | 77 | 66 Ų | 66 | 29% | 0.291 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.7 | -40.4 | 178.2 | -67.9 | -169.2 | -73.3 | 110 | 0 | 112.7 | R20 T23 S29 L30 K31 F36 F38 | R20-R27 PolarHBondContact O-NE 2.86Å; R20-R27 PolarHBondContact O-NH2 2.83Å; T23-R27 WeakPolarHBondContact O-CG 3.42Å; T23-R27 PolarHBondContact O-N 2.93Å; T23-R27 PolarHBondContact OG1-NE 3.12Å; R27-S29 PolarHBondContact O-N 2.77Å; R27-L30 CarbonylContact O-C 3.55Å; R27-L30 PolarHBondContact O-N 3.13Å; R27-K31 PolarHBondContact O-N 3.38Å; R27-F36 HydrophobicContact CB-CD2 4.02Å; R27-F36 HydrophobicContact CB-CE2 4.15Å; R27-F36 HydrophobicContact CG-CB 4.33Å; R27-F36 HydrophobicContact CG-CD2 3.57Å; R27-F36 HydrophobicContact CG-CE2 3.97Å; R27-F36 HydrophobicContact CG-CG 3.91Å; R27-F38 HydrophobicContact CG-CZ 4.4Å |
| 28 | K | 95.1 | Very high | 95.9 | Very high | 157 Ų | 157 | 64 Ų | 64 | 68% | 0.683 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -58.3 | -32.1 | 177.2 | -175.5 | 176.5 | 179.3 | 178.7 | 0 | 112.2 | G24 F26 K31 | G24-K28 WeakPolarHBondContact O-CB 3.34Å; G24-K28 PolarHBondContact O-N 2.95Å; F26-K28 VanDerWaalsContact C-N 3.3Å; F26-K28 PolarHBondContact O-N 3.21Å; K28-K31 WeakPolarHBondContact O-CG 3.39Å |
| 29 | S | 93.3 | Very high | 96 | Very high | 26 Ų | 26 | 62.4 Ų | 62.4 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.6 | -28.9 | 178 | 76.7 | 0 | 0 | 0 | 0 | 113.6 | G25 F26 R27 | G25-S29 PolarHBondContact O-N 3.07Å; F26-S29 WeakPolarHBondContact O-CB 3.36Å; F26-S29 PolarHBondContact O-N 3.49Å; F26-S29 PolarHBondContact O-OG 2.68Å; R27-S29 PolarHBondContact O-N 2.77Å |
| 30 | L | 94.4 | Very high | 96 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -106.7 | 3.5 | -177.2 | -71.7 | 175.8 | 0 | 0 | 0 | 113.8 | F26 R27 K32 F33 C34 F36 I130 V206 | F26-L30 HydrophobicContact CE1-CD1 4.11Å; F26-L30 HydrophobicContact CE2-CD1 4.05Å; F26-L30 HydrophobicContact CZ-CD1 3.64Å; F26-L30 PolarHBondContact O-N 3.3Å; R27-L30 CarbonylContact O-C 3.55Å; R27-L30 PolarHBondContact O-N 3.13Å; L30-K32 PolarHBondContact O-N 3.25Å; L30-F33 HydrophobicContact CD2-CD2 4.09Å; L30-F33 PolarHBondContact O-N 3.19Å; L30-C34 HydrophobicContact CB-CB 4.31Å; L30-C34 PolarHBondContact O-N 3.09Å; L30-F36 HydrophobicContact CB-CE2 3.89Å; L30-F36 HydrophobicContact CB-CZ 3.77Å; L30-F36 HydrophobicContact CD1-CE1 4.48Å; L30-F36 HydrophobicContact CD1-CZ 3.68Å; L30-F36 HydrophobicContact CG-CZ 4.39Å; L30-I130 HydrophobicContact CD1-CD1 4.46Å; L30-V206 HydrophobicContact CD1-CG2 4.23Å; L30-V206 HydrophobicContact CD2-CB 4.28Å; L30-V206 HydrophobicContact CD2-CG2 3.93Å |
| 31 | K | 92.8 | Very high | 96 | Very high | 148 Ų | 148 | 59.9 Ų | 59.9 | 64% | 0.643 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -22.5 | -173.9 | 72.5 | 176.5 | -176.1 | 166 | 0 | 115.8 | R27 K28 F33 | R27-K31 PolarHBondContact O-N 3.38Å; K28-K31 WeakPolarHBondContact O-CG 3.39Å; K31-F33 VanDerWaalsContact C-N 3.34Å |
| 32 | K | 91.2 | Very high | 96 | Very high | 176 Ų | 176 | 56 Ų | 56 | 77% | 0.765 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -19.1 | 177.4 | -68.9 | -172.9 | 176.9 | -175.8 | 0 | 112.5 | L30 | L30-K32 PolarHBondContact O-N 3.25Š|
| 33 | F | 92.9 | Very high | 96.1 | Very high | 61 Ų | 61 | 50.6 Ų | 50.6 | 27% | 0.268 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | -31.3 | -168.6 | -53 | -59.2 | 0 | 0 | 0 | 112.4 | P3 L4 L30 K31 A203 V206 I210 | P3-F33 CarbonylContact C-O 3.52Å; P3-F33 WeakPolarHBondContact CA-O 3.43Å; L4-F33 WeakPolarHBondContact CB-O 3.2Å; L4-F33 PolarHBondContact N-O 3.37Å; L30-F33 HydrophobicContact CD2-CD2 4.09Å; L30-F33 PolarHBondContact O-N 3.19Å; K31-F33 VanDerWaalsContact C-N 3.34Å; F33-A203 HydrophobicContact CE2-CB 3.86Å; F33-V206 HydrophobicContact CB-CG1 3.62Å; F33-V206 HydrophobicContact CG-CG1 4.44Å; F33-I210 HydrophobicContact CB-CD1 4.04Å; F33-I210 HydrophobicContact CD1-CD1 3.29Å; F33-I210 HydrophobicContact CE1-CD1 4.02Å; F33-I210 HydrophobicContact CG-CD1 4.01Å |
| 34 | C | 96.2 | Very high | 95.9 | Very high | 7 Ų | 7 | 56.3 Ų | 56.3 | 5% | 0.047 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 143.5 | -172 | -60.8 | 0 | 0 | 0 | 0 | 113.2 | L4 V6 L30 F36 V206 | L4-C34 CarbonylContact O-C 3.56Å; L4-C34 WeakPolarHBondContact O-CA 3.3Å; V6-C34 HydrophobicContact CG2-CB 4.04Å; L30-C34 HydrophobicContact CB-CB 4.31Å; L30-C34 PolarHBondContact O-N 3.09Å; C34-F36 HydrophobicContact CB-CD2 4.21Å; C34-F36 HydrophobicContact CB-CE1 4.23Å; C34-F36 HydrophobicContact CB-CE2 3.55Å; C34-F36 HydrophobicContact CB-CZ 3.56Å; C34-V206 WeakPolarHBondContact SG-CG1 3.42Å |
| 35 | E | 96.8 | Very high | 95.6 | Very high | 83 Ų | 83 | 55.2 Ų | 55.2 | 39% | 0.388 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 127.6 | 158.6 | -175.2 | -175.3 | 176.9 | 0 | 0 | 108.7 | P3 L4 V6 K37 | P3-E35 HydrophobicContact CB-CB 4.37Å; P3-E35 HydrophobicContact CG-CB 3.98Å; L4-E35 PolarHBondContact O-N 3.32Å; V6-E35 PolarHBondContact N-O 3.16Å; E35-K37 WeakPolarHBondContact OE1-CE 3.46Å; E35-K37 IonicContact OE1-NZ 2.75Å; E35-K37 PolarHBondContact OE1-NZ 3.27Å |
| 36 | F | 98.2 | Very high | 94.8 | Very high | 25 Ų | 25 | 60.4 Ų | 60.4 | 11% | 0.11 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 123.6 | -177 | -64.6 | -85.7 | 0 | 0 | 0 | 110.8 | V6 F26 R27 L30 C34 F38 | V6-F36 HydrophobicContact CB-CD1 3.77Å; V6-F36 HydrophobicContact CB-CE1 3.96Å; V6-F36 HydrophobicContact CG1-CD1 3.87Å; V6-F36 HydrophobicContact CG1-CE1 3.91Å; V6-F36 HydrophobicContact CG2-CE1 4.29Å; V6-F36 CarbonylContact O-C 3.53Å; V6-F36 WeakPolarHBondContact O-CA 3.17Å; F26-F36 HydrophobicContact CD1-CE1 4.42Å; F26-F36 HydrophobicContact CD1-CZ 4.4Å; F26-F36 HydrophobicContact CE1-CD1 4.49Å; F26-F36 AromaticContact CE1-CE1 3.62Å; F26-F36 HydrophobicContact CE1-CE1 3.62Å; F26-F36 AromaticContact CE1-CZ 3.81Å; F26-F36 HydrophobicContact CE1-CZ 3.81Å; F26-F36 HydrophobicContact CZ-CE1 4.43Å; R27-F36 HydrophobicContact CB-CD2 4.02Å; R27-F36 HydrophobicContact CB-CE2 4.15Å; R27-F36 HydrophobicContact CG-CB 4.33Å; R27-F36 HydrophobicContact CG-CD2 3.57Å; R27-F36 HydrophobicContact CG-CE2 3.97Å; R27-F36 HydrophobicContact CG-CG 3.91Å; L30-F36 HydrophobicContact CB-CE2 3.89Å; L30-F36 HydrophobicContact CB-CZ 3.77Å; L30-F36 HydrophobicContact CD1-CE1 4.48Å; L30-F36 HydrophobicContact CD1-CZ 3.68Å; L30-F36 HydrophobicContact CG-CZ 4.39Å; C34-F36 HydrophobicContact CB-CD2 4.21Å; C34-F36 HydrophobicContact CB-CE1 4.23Å; C34-F36 HydrophobicContact CB-CE2 3.55Å; C34-F36 HydrophobicContact CB-CZ 3.56Å; F36-F38 HydrophobicContact CB-CD2 4.47Å; F36-F38 HydrophobicContact CB-CE2 3.63Å; F36-F38 HydrophobicContact CB-CZ 4.1Å |
| 37 | K | 98.4 | Very high | 93.1 | Very high | 64 Ų | 64 | 63.9 Ų | 63.9 | 28% | 0.278 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 129.8 | 172.2 | -60.7 | -55.5 | -163.6 | -177 | 0 | 109.5 | K5 V6 L7 C8 E35 F91 | K5-K37 HydrophobicContact CG-CG 4.17Å; V6-K37 PolarHBondContact O-N 3.22Å; L7-K37 CarbonylContact C-O 3.5Å; L7-K37 WeakPolarHBondContact CA-O 3.36Å; C8-K37 WeakPolarHBondContact CB-O 3.11Å; C8-K37 PolarHBondContact N-O 3.08Å; C8-K37 PolarHBondContact SG-O 3.33Å; E35-K37 WeakPolarHBondContact OE1-CE 3.46Å; E35-K37 IonicContact OE1-NZ 2.75Å; E35-K37 PolarHBondContact OE1-NZ 3.27Å; K37-F91 HydrophobicContact CB-CE1 3.86Å; K37-F91 HydrophobicContact CB-CZ 4.37Å; K37-F91 HydrophobicContact CG-CE1 3.87Å; K37-F91 HydrophobicContact CG-CZ 4.48Å |
| 38 | F | 98.5 | Very high | 91.3 | Very high | 31 Ų | 31 | 66.8 Ų | 66.8 | 14% | 0.136 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 133.1 | -176.4 | -67.9 | -96.9 | 0 | 0 | 0 | 109.6 | C8 F19 R20 T23 R27 F36 | C8-F38 HydrophobicContact CB-CD1 3.49Å; C8-F38 VanDerWaalsContact CB-CD1 3.49Å; C8-F38 HydrophobicContact CB-CE1 3.56Å; C8-F38 HydrophobicContact CB-CG 3.98Å; C8-F38 HydrophobicContact CB-CZ 4.12Å; F19-F38 HydrophobicContact CB-CD1 4.12Å; F19-F38 HydrophobicContact CB-CE1 4.37Å; F19-F38 AromaticContact CD1-CD1 3.59Å; F19-F38 HydrophobicContact CD1-CD1 3.59Å; F19-F38 AromaticContact CD1-CE1 3.64Å; F19-F38 HydrophobicContact CD1-CE1 3.64Å; F19-F38 HydrophobicContact CE1-CD1 4.36Å; F19-F38 HydrophobicContact CE1-CE1 4.12Å; F19-F38 HydrophobicContact CG-CD1 4.1Å; F19-F38 HydrophobicContact CG-CE1 4.03Å; R20-F38 HydrophobicContact CB-CD1 4.04Å; R20-F38 HydrophobicContact CB-CD2 3.87Å; R20-F38 HydrophobicContact CB-CE1 4.19Å; R20-F38 HydrophobicContact CB-CE2 4.03Å; R20-F38 HydrophobicContact CB-CG 3.9Å; R20-F38 HydrophobicContact CB-CZ 4.2Å; R20-F38 HydrophobicContact CG-CD2 3.93Å; R20-F38 HydrophobicContact CG-CE2 3.89Å; R20-F38 HydrophobicContact CG-CG 4.47Å; R20-F38 HydrophobicContact CG-CZ 4.39Å; T23-F38 HydrophobicContact CG2-CE1 4.31Å; T23-F38 WeakPolarHBondContact OG1-CE1 3.33Å; T23-F38 VanDerWaalsContact OG1-CZ 3.24Å; T23-F38 WeakPolarHBondContact OG1-CZ 3.3Å; R27-F38 HydrophobicContact CG-CZ 4.4Å; F36-F38 HydrophobicContact CB-CD2 4.47Å; F36-F38 HydrophobicContact CB-CE2 3.63Å; F36-F38 HydrophobicContact CB-CZ 4.1Å |
| 39 | M | 97.9 | Very high | 89.9 | Confident | 15 Ų | 15 | 61.6 Ų | 61.6 | 7% | 0.074 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 151.6 | 171.8 | 68.9 | 174.3 | -67.4 | 0 | 0 | 110.9 | L7 C8 L9 H10 W54 A80 V81 H84 | L7-M39 HydrophobicContact CD1-CB 4.33Å; L7-M39 HydrophobicContact CD1-CG 3.93Å; L7-M39 HydrophobicContact CD1-SD 4Å; L7-M39 HydrophobicContact CD2-SD 4.11Å; L7-M39 HydrophobicContact CG-SD 4.39Å; C8-M39 PolarHBondContact O-N 3.4Å; L9-M39 HydrophobicContact CD2-CG 3.8Å; L9-M39 HydrophobicContact CD2-SD 3.81Å; H10-M39 PolarHBondContact CD2-O 2.96Å; M39-W54 HydrophobicContact CE-CH2 4.14Å; M39-W54 HydrophobicContact CE-CZ3 4.27Å; M39-W54 HydrophobicContact CG-CH2 4.01Å; M39-W54 HydrophobicContact SD-CH2 4.2Å; M39-A80 HydrophobicContact CE-CB 4.39Å; M39-V81 HydrophobicContact CE-CG2 3.75Å; M39-V81 HydrophobicContact SD-CB 4.43Å; M39-V81 HydrophobicContact SD-CG2 3.72Å; M39-H84 HydrophobicContact CE-CB 4.32Å; M39-H84 HydrophobicContact SD-CB 4.24Å |
| 40 | S | 98.1 | Very high | 89.2 | Confident | 47 Ų | 47 | 67.1 Ų | 67.1 | 33% | 0.329 | 36% | 0.358 | S | S | . | . | trans | -92.4 | 139.9 | 172.3 | -62.4 | 0 | 0 | 0 | 0 | 109.3 | S16 | S16-S40 WeakPolarHBondContact CB-OG 3.46Å; S16-S40 PolarHBondContact N-OG 3.22Å; S16-S40 PolarHBondContact OG-OG 2.84Å; S16-S40 VanDerWaalsContact OG-OG 3.12Å | ||
| 41 | A | 98.2 | Very high | 89.1 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 2% | 0.017 | 36% | 0.359 | C | S | . | . | trans | -62 | 147.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | H10 N43 C52 A53 W54 | H10-A41 PolarHBondContact NE2-N 3.06Å; A41-N43 VanDerWaalsContact C-N 3.3Å; A41-N43 PolarHBondContact O-N 3.2Å; A41-C52 HydrophobicContact CB-CB 3.94Å; A41-C52 VanDerWaalsContact O-CB 3.28Å; A41-C52 WeakPolarHBondContact O-CB 3.22Å; A41-C52 PolarHBondContact O-SG 3.42Å; A41-A53 WeakPolarHBondContact CB-O 3.24Å; A41-W54 HydrophobicContact CB-CD2 3.62Å; A41-W54 HydrophobicContact CB-CE3 3.61Å; A41-W54 HydrophobicContact CB-CG 4.17Å; A41-W54 HydrophobicContact CB-CH2 4.02Å; A41-W54 HydrophobicContact CB-CZ2 4.03Å; A41-W54 HydrophobicContact CB-CZ3 3.84Å | ||
| 42 | P | 97.3 | Very high | 89.3 | Confident | 57 Ų | 57 | 60.8 Ų | 60.8 | 37% | 0.37 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -75.6 | -16.6 | -174.2 | 30 | -35.2 | 0 | 0 | 0 | 113.8 | I44 E76 S77 A80 | P42-I44 PolarHBondContact O-N 3.03Å; P42-E76 HydrophobicContact CG-CB 4.07Å; P42-S77 WeakPolarHBondContact CD-OG 3.42Å; P42-A80 HydrophobicContact CB-CB 4.47Å; P42-A80 HydrophobicContact CG-CB 4.06Å |
| 43 | N | 96.8 | Very high | 89.6 | Confident | 22 Ų | 22 | 52.4 Ų | 52.4 | 12% | 0.118 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 103 | -171.8 | -45.8 | -69.4 | 0 | 0 | 0 | 111.3 | A41 C52 A53 W54 F56 G73 S77 | A41-N43 VanDerWaalsContact C-N 3.3Å; A41-N43 PolarHBondContact O-N 3.2Å; N43-C52 CarbonylContact O-C 3.43Å; N43-C52 WeakPolarHBondContact O-CA 3.21Å; N43-C52 WeakPolarHBondContact O-CB 3.28Å; N43-A53 VanDerWaalsContact CB-O 3.31Å; N43-A53 WeakPolarHBondContact CB-O 3.47Å; N43-A53 PolarHBondContact ND2-O 3.05Å; N43-A53 PolarHBondContact O-N 2.86Å; N43-W54 PolarHBondContact ND2-O 3.22Å; N43-F56 HydrophobicContact CB-CE2 3.74Å; N43-F56 HydrophobicContact CB-CZ 4.14Å; N43-G73 VanDerWaalsContact CG-CA 3.49Å; N43-G73 WeakPolarHBondContact ND2-CA 3.46Å; N43-G73 PolarHBondContact ND2-O 2.82Å; N43-G73 WeakPolarHBondContact OD1-CA 3.3Å; N43-S77 PolarHBondContact ND2-OG 3.19Å |
| 44 | I | 93.9 | Very high | 89.8 | Confident | 121 Ų | 121 | 49.5 Ų | 49.5 | 62% | 0.621 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 137.1 | -179.1 | -55 | 175.8 | 0 | 0 | 0 | 110.4 | P42 M60 | P42-I44 PolarHBondContact O-N 3.03Å; I44-M60 WeakPolarHBondContact O-CE 3.3Å |
| 45 | I | 90.3 | Very high | 90 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | trans | -90.5 | 128.1 | 176.1 | -55.5 | 171.7 | 0 | 0 | 0 | 108.8 | Y12 R13 C47 G51 A53 F56 | Y12-I45 HydrophobicContact CD2-CD1 3.84Å; Y12-I45 HydrophobicContact CE2-CD1 3.3Å; Y12-I45 HydrophobicContact CE2-CG1 4.16Å; R13-I45 HydrophobicContact CB-CD1 4.12Å; R13-I45 HydrophobicContact CG-CD1 3.41Å; R13-I45 VanDerWaalsContact CG-CD1 3.41Å; I45-C47 HydrophobicContact CG2-CB 4.39Å; I45-C47 PolarHBondContact O-N 2.75Å; I45-C47 VanDerWaalsContact O-N 3.16Å; I45-G51 WeakPolarHBondContact CB-O 3.45Å; I45-G51 WeakPolarHBondContact CG1-O 3.31Å; I45-G51 PolarHBondContact N-O 2.85Å; I45-A53 HydrophobicContact CD1-CB 4.34Å; I45-A53 HydrophobicContact CG1-CB 4.37Å; I45-F56 HydrophobicContact CG1-CE1 4.09Å; I45-F56 HydrophobicContact CG1-CZ 4.29Å | ||
| 46 | N | 76.9 | Confident | 90 | Very high | 144 Ų | 144 | 45.8 Ų | 45.8 | 77% | 0.77 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -69.5 | -13.5 | -172 | -148 | 2.9 | 0 | 0 | 0 | 114.1 | S48 M60 | N46-S48 PolarHBondContact O-N 3.44Å; N46-M60 HydrophobicContact CB-CE 3.99Å |
| 47 | C | 62.5 | Low | 89.9 | Confident | 73 Ų | 73 | 44.9 Ų | 44.9 | 49% | 0.493 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -86.6 | 98.5 | -176.7 | -59.1 | 0 | 0 | 0 | 0 | 111 | I45 S49 | I45-C47 HydrophobicContact CG2-CB 4.39Å; I45-C47 PolarHBondContact O-N 2.75Å; I45-C47 VanDerWaalsContact O-N 3.16Å; C47-S49 WeakPolarHBondContact O-CA 3.26Å; C47-S49 WeakPolarHBondContact O-CB 3.46Å; C47-S49 PolarHBondContact O-N 2.62Å; C47-S49 PolarHBondContact O-OG 3.3Å |
| 48 | S | 58 | Low | 89.8 | Confident | 139 Ų | 139 | 46.2 Ų | 46.2 | 97% | 0.972 | 27% | 0.267 | S | S | * | . | S | Bend | trans | 35.3 | 8 | 158.4 | 63.4 | 0 | 0 | 0 | 0 | 120.7 | N46 | N46-S48 PolarHBondContact O-N 3.44Š|
| 49 | S | 64.4 | Low | 89.5 | Confident | 47 Ų | 47 | 49.3 Ų | 49.3 | 33% | 0.329 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -124 | 137.2 | -175.7 | 58.9 | 0 | 0 | 0 | 0 | 106.1 | C47 G51 | C47-S49 WeakPolarHBondContact O-CA 3.26Å; C47-S49 WeakPolarHBondContact O-CB 3.46Å; C47-S49 PolarHBondContact O-N 2.62Å; C47-S49 PolarHBondContact O-OG 3.3Å; S49-G51 PolarHBondContact O-N 3.46Å |
| 50 | N | 79.8 | Confident | 89.1 | Confident | 143 Ų | 143 | 52.7 Ų | 52.7 | 77% | 0.765 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -71.4 | 33 | 173.5 | -66.2 | -21.4 | 0 | 0 | 0 | 111.5 | N15 | N15-N50 PolarHBondContact ND2-O 2.84Š|
| 51 | G | 92 | Very high | 88.9 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | trans | -93.5 | 147.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I45 S49 | I45-G51 WeakPolarHBondContact CB-O 3.45Å; I45-G51 WeakPolarHBondContact CG1-O 3.31Å; I45-G51 PolarHBondContact N-O 2.85Å; S49-G51 PolarHBondContact O-N 3.46Å | ||
| 52 | C | 96.4 | Very high | 88.8 | Confident | 12 Ų | 12 | 57.1 Ų | 57.1 | 8% | 0.081 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 168.6 | 178.2 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | R13 Q14 A41 N43 | R13-C52 PolarHBondContact N-O 2.98Å; Q14-C52 PolarHBondContact O-N 3.02Å; A41-C52 HydrophobicContact CB-CB 3.94Å; A41-C52 VanDerWaalsContact O-CB 3.28Å; A41-C52 WeakPolarHBondContact O-CB 3.22Å; A41-C52 PolarHBondContact O-SG 3.42Å; N43-C52 CarbonylContact O-C 3.43Å; N43-C52 WeakPolarHBondContact O-CA 3.21Å; N43-C52 WeakPolarHBondContact O-CB 3.28Å |
| 53 | A | 97.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 148 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y12 A41 N43 I45 F56 | Y12-A53 HydrophobicContact CD2-CB 3.6Å; Y12-A53 HydrophobicContact CE2-CB 3.68Å; A41-A53 WeakPolarHBondContact CB-O 3.24Å; N43-A53 VanDerWaalsContact CB-O 3.31Å; N43-A53 WeakPolarHBondContact CB-O 3.47Å; N43-A53 PolarHBondContact ND2-O 3.05Å; N43-A53 PolarHBondContact O-N 2.86Å; I45-A53 HydrophobicContact CD1-CB 4.34Å; I45-A53 HydrophobicContact CG1-CB 4.37Å; A53-F56 HydrophobicContact CB-CD1 4.14Å; A53-F56 HydrophobicContact CB-CE1 3.72Å; A53-F56 HydrophobicContact CB-CZ 4.01Å |
| 54 | W | 98.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -76.6 | -33.8 | 172.6 | -65.4 | 103.4 | 0 | 0 | 0 | 112 | L9 H10 M39 A41 N43 G73 S77 V81 Q99 F103 | L9-W54 HydrophobicContact CB-CH2 4.24Å; L9-W54 HydrophobicContact CB-CZ2 3.58Å; L9-W54 HydrophobicContact CD2-CH2 3.65Å; L9-W54 HydrophobicContact CD2-CZ2 3.89Å; L9-W54 HydrophobicContact CD2-CZ3 4.47Å; L9-W54 HydrophobicContact CG-CH2 4.36Å; L9-W54 HydrophobicContact CG-CZ2 4.19Å; H10-W54 PolarHBondContact O-NE1 3.15Å; M39-W54 HydrophobicContact CE-CH2 4.14Å; M39-W54 HydrophobicContact CE-CZ3 4.27Å; M39-W54 HydrophobicContact CG-CH2 4.01Å; M39-W54 HydrophobicContact SD-CH2 4.2Å; A41-W54 HydrophobicContact CB-CD2 3.62Å; A41-W54 HydrophobicContact CB-CE3 3.61Å; A41-W54 HydrophobicContact CB-CG 4.17Å; A41-W54 HydrophobicContact CB-CH2 4.02Å; A41-W54 HydrophobicContact CB-CZ2 4.03Å; A41-W54 HydrophobicContact CB-CZ3 3.84Å; N43-W54 PolarHBondContact ND2-O 3.22Å; W54-G73 CarbonylContact O-C 3.51Å; W54-S77 WeakPolarHBondContact CA-OG 3.1Å; W54-S77 VanDerWaalsContact O-CB 3.3Å; W54-S77 WeakPolarHBondContact O-CB 3.32Å; W54-S77 PolarHBondContact O-OG 3.04Å; W54-V81 HydrophobicContact CH2-CG2 4.38Å; W54-V81 HydrophobicContact CZ3-CG2 3.82Å; W54-Q99 HydrophobicContact CB-CG 4.35Å; W54-F103 HydrophobicContact CB-CB 4.04Å; W54-F103 HydrophobicContact CB-CD2 4.02Å; W54-F103 HydrophobicContact CB-CG 3.97Å; W54-F103 HydrophobicContact CD2-CB 4.46Å; W54-F103 AromaticContact CD2-CD1 3.97Å; W54-F103 HydrophobicContact CD2-CD1 3.97Å; W54-F103 HydrophobicContact CD2-CE1 4.42Å; W54-F103 HydrophobicContact CD2-CG 4.16Å; W54-F103 AromaticContact CE3-CD1 3.77Å; W54-F103 HydrophobicContact CE3-CD1 3.77Å; W54-F103 AromaticContact CE3-CE1 3.76Å; W54-F103 HydrophobicContact CE3-CE1 3.76Å; W54-F103 HydrophobicContact CE3-CG 4.23Å; W54-F103 HydrophobicContact CE3-CZ 4.21Å; W54-F103 HydrophobicContact CG-CB 4.02Å; W54-F103 HydrophobicContact CG-CD1 4.34Å; W54-F103 HydrophobicContact CG-CG 4.05Å; W54-F103 HydrophobicContact CZ3-CD1 4.33Å; W54-F103 HydrophobicContact CZ3-CE1 4.09Å |
| 55 | W | 98.4 | Very high | 89 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.008 | 31% | 0.308 | C | S | . | . | trans | -158.6 | 168.7 | 167.1 | 73.1 | 101.5 | 0 | 0 | 0 | 108.7 | F62 A72 F74 Q99 A102 F103 F135 H142 | W55-F62 HydrophobicContact CD2-CE2 4.4Å; W55-F62 AromaticContact CE2-CE2 3.51Å; W55-F62 HydrophobicContact CH2-CE2 4.17Å; W55-F62 HydrophobicContact CH2-CZ 4.26Å; W55-F62 HydrophobicContact CZ2-CD2 4.38Å; W55-F62 AromaticContact CZ2-CE2 3.4Å; W55-F62 HydrophobicContact CZ2-CE2 3.4Å; W55-F62 AromaticContact CZ2-CZ 3.85Å; W55-F62 HydrophobicContact CZ2-CZ 3.85Å; W55-F62 AromaticContact NE1-CD2 3.96Å; W55-F62 AromaticContact NE1-CE2 3.63Å; W55-A72 WeakPolarHBondContact CA-O 3.33Å; W55-F74 HydrophobicContact CB-CB 3.77Å; W55-F74 HydrophobicContact CB-CD2 4.41Å; W55-Q99 HydrophobicContact CE3-CG 3.98Å; W55-Q99 HydrophobicContact CH2-CG 3.72Å; W55-Q99 HydrophobicContact CZ2-CG 4.46Å; W55-Q99 HydrophobicContact CZ3-CG 3.43Å; W55-Q99 VanDerWaalsContact CZ3-CG 3.43Å; W55-Q99 PolarHBondContact O-NE2 2.76Å; W55-A102 HydrophobicContact CH2-CB 3.9Å; W55-F103 HydrophobicContact CE3-CB 4.47Å; W55-F103 HydrophobicContact CE3-CD2 4.32Å; W55-F103 HydrophobicContact CZ3-CB 3.87Å; W55-F103 HydrophobicContact CZ3-CD2 4.48Å; W55-F135 HydrophobicContact CH2-CE2 4.28Å; W55-F135 HydrophobicContact CH2-CZ 4.32Å; W55-F135 HydrophobicContact CZ2-CE2 4.36Å; W55-H142 AromaticContact CD1-CE1 3.91Å; W55-H142 AromaticContact NE1-CE1 3.82Å | ||
| 56 | F | 97.8 | Very high | 89.3 | Confident | 10 Ų | 10 | 58.4 Ų | 58.4 | 4% | 0.044 | 33% | 0.325 | C | S | . | . | trans | -110.2 | 144 | 173.6 | -63.4 | -69.1 | 0 | 0 | 0 | 110.4 | Y12 N43 I45 A53 K58 M60 E61 Y70 D71 A72 | Y12-F56 HydrophobicContact CE2-CE1 4.35Å; N43-F56 HydrophobicContact CB-CE2 3.74Å; N43-F56 HydrophobicContact CB-CZ 4.14Å; I45-F56 HydrophobicContact CG1-CE1 4.09Å; I45-F56 HydrophobicContact CG1-CZ 4.29Å; A53-F56 HydrophobicContact CB-CD1 4.14Å; A53-F56 HydrophobicContact CB-CE1 3.72Å; A53-F56 HydrophobicContact CB-CZ 4.01Å; F56-K58 WeakPolarHBondContact CB-O 3.49Å; F56-M60 WeakPolarHBondContact CE1-O 3.48Å; F56-M60 HydrophobicContact CE2-SD 4.27Å; F56-M60 HydrophobicContact CZ-CE 4.31Å; F56-M60 HydrophobicContact CZ-SD 4.36Å; F56-E61 CarbonylContact C-O 3.5Å; F56-E61 WeakPolarHBondContact CA-O 3.41Å; F56-E61 WeakPolarHBondContact CB-O 3.42Å; F56-Y70 HydrophobicContact CB-CD1 4.41Å; F56-Y70 HydrophobicContact CB-CE1 3.9Å; F56-Y70 CarbonylContact O-C 3.49Å; F56-Y70 WeakPolarHBondContact O-CD1 3.46Å; F56-Y70 VanDerWaalsContact O-O 3.07Å; F56-D71 CarbonylContact O-C 3.59Å; F56-D71 VanDerWaalsContact O-CA 3.24Å; F56-D71 WeakPolarHBondContact O-CA 3.18Å; F56-A72 WeakPolarHBondContact CD2-O 3.26Å; F56-A72 PolarHBondContact N-O 2.81Å | ||
| 57 | S | 97 | Very high | 90.3 | Very high | 7 Ų | 7 | 56.4 Ų | 56.4 | 5% | 0.049 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -99.3 | -8.8 | 174.2 | 66.7 | 0 | 0 | 0 | 0 | 113.2 | E61 S63 S68 Y70 | S57-E61 PolarHBondContact N-O 3.37Å; S57-S63 PolarHBondContact OG-N 3.49Å; S57-S68 WeakPolarHBondContact O-CB 3.33Å; S57-Y70 WeakPolarHBondContact CA-O 3.21Å |
| 58 | K | 94.9 | Very high | 91.9 | Very high | 91 Ų | 91 | 53.6 Ų | 53.6 | 40% | 0.396 | 30% | 0.304 | S | S | . | . | B | Isolated β-bridge | trans | -146.4 | 164.2 | 173.2 | -69.5 | 172 | 174.8 | 169.4 | 0 | 108 | F56 M60 E61 E66 Y70 | F56-K58 WeakPolarHBondContact CB-O 3.49Å; K58-M60 PolarHBondContact O-N 2.89Å; K58-E61 HydrophobicContact CB-CB 4.15Å; K58-E61 PolarHBondContact N-O 2.63Å; K58-E61 VanDerWaalsContact N-O 3.12Å; K58-E61 PolarHBondContact O-N 3.31Å; K58-E61 VanDerWaalsContact O-O 3.05Å; K58-E66 WeakPolarHBondContact CE-OE2 3.41Å; K58-E66 IonicContact NZ-OE1 3.44Å; K58-E66 PolarHBondContact NZ-OE1 2.71Å; K58-E66 IonicContact NZ-OE2 2.61Å; K58-E66 PolarHBondContact NZ-OE2 2.84Å; K58-Y70 VanDerWaalsContact C-CE1 3.41Å; K58-Y70 WeakPolarHBondContact O-CE1 3.23Å |
| 59 | P | 93 | Very high | 93.8 | Very high | 96 Ų | 96 | 50.5 Ų | 50.5 | 62% | 0.623 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 114 | 176.3 | -27.9 | 35.9 | 0 | 0 | 0 | 112.3 | E61 | P59-E61 PolarHBondContact O-N 3.09Å; P59-E61 VanDerWaalsContact O-N 3.16Å |
| 60 | M | 89.6 | Confident | 95.4 | Very high | 86 Ų | 86 | 52.4 Ų | 52.4 | 42% | 0.424 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 11.9 | -179.4 | -56 | -58.2 | -69.2 | 0 | 0 | 116.8 | I44 N46 F56 K58 | I44-M60 WeakPolarHBondContact O-CE 3.3Å; N46-M60 HydrophobicContact CB-CE 3.99Å; F56-M60 WeakPolarHBondContact CE1-O 3.48Å; F56-M60 HydrophobicContact CE2-SD 4.27Å; F56-M60 HydrophobicContact CZ-CE 4.31Å; F56-M60 HydrophobicContact CZ-SD 4.36Å; K58-M60 PolarHBondContact O-N 2.89Å |
| 61 | E | 94.1 | Very high | 96.2 | Very high | 113 Ų | 113 | 47.7 Ų | 47.7 | 53% | 0.528 | 26% | 0.262 | S | S | . | . | B | Isolated β-bridge | trans | -133.1 | 154.1 | -176.7 | -72.6 | -176.7 | -136.8 | 0 | 0 | 112.2 | F56 S57 K58 P59 | F56-E61 CarbonylContact C-O 3.5Å; F56-E61 WeakPolarHBondContact CA-O 3.41Å; F56-E61 WeakPolarHBondContact CB-O 3.42Å; S57-E61 PolarHBondContact N-O 3.37Å; K58-E61 HydrophobicContact CB-CB 4.15Å; K58-E61 PolarHBondContact N-O 2.63Å; K58-E61 VanDerWaalsContact N-O 3.12Å; K58-E61 PolarHBondContact O-N 3.31Å; K58-E61 VanDerWaalsContact O-O 3.05Å; P59-E61 PolarHBondContact O-N 3.09Å; P59-E61 VanDerWaalsContact O-N 3.16Å |
| 62 | F | 95.9 | Very high | 96.5 | Very high | 29 Ų | 29 | 49.3 Ų | 49.3 | 13% | 0.127 | 28% | 0.275 | C | S | . | . | trans | -133.5 | 134.5 | 177 | 174.5 | -104.4 | 0 | 0 | 0 | 110.8 | Y12 W55 A64 Q99 F135 | Y12-F62 HydrophobicContact CD1-CB 4.21Å; Y12-F62 HydrophobicContact CD1-CD1 4.05Å; Y12-F62 HydrophobicContact CD2-CB 3.78Å; Y12-F62 HydrophobicContact CD2-CD1 4.24Å; Y12-F62 HydrophobicContact CD2-CG 4.33Å; Y12-F62 HydrophobicContact CE1-CB 4.03Å; Y12-F62 HydrophobicContact CE2-CB 3.58Å; Y12-F62 HydrophobicContact CG-CB 4.11Å; Y12-F62 AromaticContact CG-CD1 3.85Å; Y12-F62 HydrophobicContact CG-CD1 3.85Å; Y12-F62 HydrophobicContact CG-CG 4.38Å; W55-F62 HydrophobicContact CD2-CE2 4.4Å; W55-F62 AromaticContact CE2-CE2 3.51Å; W55-F62 HydrophobicContact CH2-CE2 4.17Å; W55-F62 HydrophobicContact CH2-CZ 4.26Å; W55-F62 HydrophobicContact CZ2-CD2 4.38Å; W55-F62 AromaticContact CZ2-CE2 3.4Å; W55-F62 HydrophobicContact CZ2-CE2 3.4Å; W55-F62 AromaticContact CZ2-CZ 3.85Å; W55-F62 HydrophobicContact CZ2-CZ 3.85Å; W55-F62 AromaticContact NE1-CD2 3.96Å; W55-F62 AromaticContact NE1-CE2 3.63Å; F62-A64 HydrophobicContact CE1-CB 3.9Å; F62-A64 HydrophobicContact CZ-CB 3.88Å; F62-Q99 HydrophobicContact CD1-CG 4.34Å; F62-Q99 VanDerWaalsContact CD1-NE2 3.32Å; F62-Q99 HydrophobicContact CE1-CB 4.12Å; F62-Q99 HydrophobicContact CE1-CG 3.93Å; F62-Q99 HydrophobicContact CE2-CG 4.43Å; F62-Q99 HydrophobicContact CZ-CG 4Å; F62-F135 HydrophobicContact CE1-CZ 4.1Å; F62-F135 AromaticContact CZ-CE2 3.87Å; F62-F135 HydrophobicContact CZ-CE2 3.87Å; F62-F135 AromaticContact CZ-CZ 3.61Å; F62-F135 HydrophobicContact CZ-CZ 3.61Å | ||
| 63 | S | 97 | Very high | 96.6 | Very high | 32 Ų | 32 | 49 Ų | 49 | 22% | 0.224 | 27% | 0.274 | C | S | . | . | trans | -128.3 | 128.4 | 166.6 | 176.9 | 0 | 0 | 0 | 0 | 108.8 | S57 Q65 E66 | S57-S63 PolarHBondContact OG-N 3.49Å; S63-Q65 VanDerWaalsContact C-N 3.33Å; S63-Q65 PolarHBondContact OG-N 3.14Å; S63-E66 WeakPolarHBondContact OG-CG 3.35Å; S63-E66 PolarHBondContact OG-N 3.06Å | ||
| 64 | A | 97.7 | Very high | 96.6 | Very high | 12 Ų | 12 | 49.6 Ų | 49.6 | 10% | 0.099 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -74.5 | -25.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F62 F135 R138 I165 M169 | F62-A64 HydrophobicContact CE1-CB 3.9Å; F62-A64 HydrophobicContact CZ-CB 3.88Å; A64-F135 HydrophobicContact CB-CD1 4.38Å; A64-F135 HydrophobicContact CB-CD2 4.13Å; A64-F135 HydrophobicContact CB-CE1 4Å; A64-F135 HydrophobicContact CB-CE2 3.76Å; A64-F135 HydrophobicContact CB-CG 4.43Å; A64-F135 HydrophobicContact CB-CZ 3.7Å; A64-R138 VanDerWaalsContact O-CG 3.25Å; A64-R138 WeakPolarHBondContact O-CG 3.24Å; A64-I165 HydrophobicContact CB-CD1 3.46Å; A64-I165 VanDerWaalsContact CB-CD1 3.46Å; A64-M169 HydrophobicContact CB-CE 4.43Å; A64-M169 WeakPolarHBondContact O-CE 3.32Å |
| 65 | Q | 97.3 | Very high | 96.6 | Very high | 103 Ų | 103 | 56.5 Ų | 56.5 | 48% | 0.481 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -97.8 | -22.5 | -169 | -53.2 | -170.7 | 17.8 | 0 | 0 | 112.8 | S63 V164 M169 | S63-Q65 VanDerWaalsContact C-N 3.33Å; S63-Q65 PolarHBondContact OG-N 3.14Å; Q65-V164 PolarHBondContact NE2-O 3.22Å; Q65-M169 HydrophobicContact CB-SD 4.45Å; Q65-M169 HydrophobicContact CG-CE 4.16Å; Q65-M169 HydrophobicContact CG-SD 3.78Å |
| 66 | E | 96.5 | Very high | 96.6 | Very high | 85 Ų | 85 | 61.3 Ų | 61.3 | 40% | 0.397 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -89.8 | 136.3 | -177.8 | -66.2 | 176.4 | 169.7 | 0 | 0 | 111.9 | K58 S63 R138 | K58-E66 WeakPolarHBondContact CE-OE2 3.41Å; K58-E66 IonicContact NZ-OE1 3.44Å; K58-E66 PolarHBondContact NZ-OE1 2.71Å; K58-E66 IonicContact NZ-OE2 2.61Å; K58-E66 PolarHBondContact NZ-OE2 2.84Å; S63-E66 WeakPolarHBondContact OG-CG 3.35Å; S63-E66 PolarHBondContact OG-N 3.06Å; E66-R138 VanDerWaalsContact O-CB 3.27Å; E66-R138 WeakPolarHBondContact O-CB 3.31Å |
| 67 | S | 96.7 | Very high | 96.7 | Very high | 102 Ų | 102 | 60.8 Ų | 60.8 | 71% | 0.713 | 32% | 0.323 | S | S | * | . | trans | -63.7 | 141.4 | 169.1 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | R138 | S67-R138 WeakPolarHBondContact CA-O 3.49Š| ||
| 68 | S | 96.9 | Very high | 96.7 | Very high | 15 Ų | 15 | 60.6 Ų | 60.6 | 11% | 0.105 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -139.6 | 160.3 | 174.2 | 79 | 0 | 0 | 0 | 0 | 111.9 | S57 Y70 R138 C139 L140 | S57-S68 WeakPolarHBondContact O-CB 3.33Å; S68-Y70 PolarHBondContact OG-N 3.01Å; S68-Y70 PolarHBondContact OG-O 3.24Å; S68-R138 PolarHBondContact N-O 2.75Å; S68-C139 CarbonylContact O-C 3.54Å; S68-C139 VanDerWaalsContact O-CA 3.32Å; S68-C139 WeakPolarHBondContact O-CA 3.42Å; S68-L140 WeakPolarHBondContact O-CG 3.44Å; S68-L140 PolarHBondContact O-N 3.1Å |
| 69 | A | 97.3 | Very high | 96.9 | Very high | 74 Ų | 74 | 59.7 Ų | 59.7 | 61% | 0.612 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -112.9 | 30.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | L140 | A69-L140 HydrophobicContact CB-CD1 4.27Š|
| 70 | Y | 97.7 | Very high | 97.1 | Very high | 87 Ų | 87 | 56.5 Ų | 56.5 | 34% | 0.341 | 30% | 0.302 | S | S | . | . | trans | -138.2 | 129.9 | -171.5 | -174 | -91.2 | 0 | 0 | 0 | 109.1 | F56 S57 K58 S68 A72 | F56-Y70 HydrophobicContact CB-CD1 4.41Å; F56-Y70 HydrophobicContact CB-CE1 3.9Å; F56-Y70 CarbonylContact O-C 3.49Å; F56-Y70 WeakPolarHBondContact O-CD1 3.46Å; F56-Y70 VanDerWaalsContact O-O 3.07Å; S57-Y70 WeakPolarHBondContact CA-O 3.21Å; K58-Y70 VanDerWaalsContact C-CE1 3.41Å; K58-Y70 WeakPolarHBondContact O-CE1 3.23Å; S68-Y70 PolarHBondContact OG-N 3.01Å; S68-Y70 PolarHBondContact OG-O 3.24Å; Y70-A72 HydrophobicContact CD1-CB 4.35Å; Y70-A72 HydrophobicContact CE1-CB 3.5Å; Y70-A72 HydrophobicContact CE2-CB 4.08Å; Y70-A72 WeakPolarHBondContact OH-CB 3.48Å | ||
| 71 | D | 97.8 | Very high | 97.5 | Very high | 44 Ų | 44 | 52.4 Ų | 52.4 | 24% | 0.235 | 28% | 0.282 | C | S | . | . | trans | -142.2 | 25.8 | -175.4 | 67.7 | -19.5 | 0 | 0 | 0 | 113.1 | F56 G73 F74 L141 H142 | F56-D71 CarbonylContact O-C 3.59Å; F56-D71 VanDerWaalsContact O-CA 3.24Å; F56-D71 WeakPolarHBondContact O-CA 3.18Å; D71-G73 PolarHBondContact O-N 2.87Å; D71-F74 HydrophobicContact CB-CB 4.03Å; D71-F74 WeakPolarHBondContact O-CB 3.4Å; D71-F74 PolarHBondContact O-N 3.16Å; D71-L141 HydrophobicContact CB-CD1 4.44Å; D71-L141 WeakPolarHBondContact OD1-CD1 3.46Å; D71-H142 VanDerWaalsContact CB-NE2 3.27Å; D71-H142 WeakPolarHBondContact CB-NE2 3.35Å; D71-H142 IonicContact OD2-CD2 3.93Å; D71-H142 IonicContact OD2-NE2 2.67Å; D71-H142 PolarHBondContact OD2-NE2 2.93Å | ||
| 72 | A | 98 | Very high | 97.7 | Very high | 35 Ų | 35 | 49.1 Ų | 49.1 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 134.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | W55 F56 Y70 | W55-A72 WeakPolarHBondContact CA-O 3.33Å; F56-A72 WeakPolarHBondContact CD2-O 3.26Å; F56-A72 PolarHBondContact N-O 2.81Å; Y70-A72 HydrophobicContact CD1-CB 4.35Å; Y70-A72 HydrophobicContact CE1-CB 3.5Å; Y70-A72 HydrophobicContact CE2-CB 4.08Å; Y70-A72 WeakPolarHBondContact OH-CB 3.48Å |
| 73 | G | 98.1 | Very high | 97.7 | Very high | 6 Ų | 6 | 53.7 Ų | 53.7 | 6% | 0.062 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | -12.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | N43 W54 D71 E76 S77 | N43-G73 VanDerWaalsContact CG-CA 3.49Å; N43-G73 WeakPolarHBondContact ND2-CA 3.46Å; N43-G73 PolarHBondContact ND2-O 2.82Å; N43-G73 WeakPolarHBondContact OD1-CA 3.3Å; W54-G73 CarbonylContact O-C 3.51Å; D71-G73 PolarHBondContact O-N 2.87Å; G73-E76 VanDerWaalsContact C-OE2 3.23Å; G73-E76 WeakPolarHBondContact CA-OE2 3.41Å; G73-E76 PolarHBondContact N-OE2 3.47Å; G73-S77 WeakPolarHBondContact O-CB 3.47Å; G73-S77 PolarHBondContact O-N 3.5Å; G73-S77 PolarHBondContact O-OG 3.44Å; G73-S77 VanDerWaalsContact O-OG 3.12Å |
| 74 | F | 98.6 | Very high | 97.7 | Very high | 13 Ų | 13 | 54.1 Ų | 54.1 | 6% | 0.057 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.9 | -50.7 | -179.3 | -179.8 | -114.5 | 0 | 0 | 0 | 111.7 | W55 D71 E76 S77 L78 F103 L106 M110 H142 I145 | W55-F74 HydrophobicContact CB-CB 3.77Å; W55-F74 HydrophobicContact CB-CD2 4.41Å; D71-F74 HydrophobicContact CB-CB 4.03Å; D71-F74 WeakPolarHBondContact O-CB 3.4Å; D71-F74 PolarHBondContact O-N 3.16Å; F74-E76 PolarHBondContact O-N 2.74Å; F74-S77 VanDerWaalsContact O-CB 3.32Å; F74-S77 WeakPolarHBondContact O-CB 3.16Å; F74-S77 PolarHBondContact O-N 2.84Å; F74-L78 HydrophobicContact CD1-CD1 4.1Å; F74-L78 HydrophobicContact CE1-CD1 3.64Å; F74-L78 HydrophobicContact CE1-CD2 4.46Å; F74-L78 HydrophobicContact CE1-CG 4.2Å; F74-L78 HydrophobicContact CE2-CD2 4.23Å; F74-L78 HydrophobicContact CE2-CG 4.48Å; F74-L78 HydrophobicContact CZ-CD1 3.99Å; F74-L78 HydrophobicContact CZ-CD2 3.97Å; F74-L78 HydrophobicContact CZ-CG 4.17Å; F74-L78 WeakPolarHBondContact O-CG 3.32Å; F74-L78 PolarHBondContact O-N 3.02Å; F74-F103 AromaticContact CD2-CD2 3.95Å; F74-F103 HydrophobicContact CD2-CD2 3.95Å; F74-F103 AromaticContact CD2-CE2 3.81Å; F74-F103 HydrophobicContact CD2-CE2 3.81Å; F74-F103 AromaticContact CE2-CD2 3.72Å; F74-F103 HydrophobicContact CE2-CD2 3.72Å; F74-F103 AromaticContact CE2-CE2 3.64Å; F74-F103 HydrophobicContact CE2-CE2 3.64Å; F74-L106 HydrophobicContact CE2-CD1 3.83Å; F74-L106 HydrophobicContact CZ-CB 4.41Å; F74-L106 HydrophobicContact CZ-CD1 4.1Å; F74-M110 HydrophobicContact CE1-SD 4.46Å; F74-M110 HydrophobicContact CZ-SD 4.13Å; F74-H142 AromaticContact CD1-NE2 3.66Å; F74-H142 AromaticContact CD2-CE1 3.82Å; F74-H142 AromaticContact CD2-NE2 3.84Å; F74-H142 AromaticContact CE1-NE2 3.99Å; F74-H142 AromaticContact CG-NE2 3.59Å; F74-I145 HydrophobicContact CZ-CD1 4.49Å |
| 75 | R | 98.2 | Very high | 97.7 | Very high | 144 Ų | 144 | 53.7 Ų | 53.7 | 54% | 0.543 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 179.4 | -174.2 | 169.2 | -176.5 | -109.6 | -4.9 | 112.1 | S77 L78 L79 D117 | R75-S77 VanDerWaalsContact C-N 3.26Å; R75-S77 PolarHBondContact O-N 2.59Å; R75-L78 PolarHBondContact O-N 3.4Å; R75-L79 HydrophobicContact CG-CD1 4.34Å; R75-L79 HydrophobicContact CG-CG 4.49Å; R75-L79 WeakPolarHBondContact O-CG 3.32Å; R75-L79 PolarHBondContact O-N 3.47Å; R75-D117 IonicContact CZ-OD1 3.13Å; R75-D117 IonicContact NE-OD1 3.96Å; R75-D117 PolarHBondContact NE-OD1 3.35Å; R75-D117 VanDerWaalsContact NE-OD1 3.13Å; R75-D117 IonicContact NE-OD2 2.9Å; R75-D117 PolarHBondContact NE-OD2 3.22Å; R75-D117 IonicContact NH2-OD1 3.45Å; R75-D117 PolarHBondContact NH2-OD1 3.38Å |
| 76 | E | 98.5 | Very high | 97.6 | Very high | 103 Ų | 103 | 56.2 Ų | 56.2 | 48% | 0.481 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.4 | -42.3 | 174.5 | -67.8 | 78.2 | -178.3 | 0 | 0 | 111 | P42 G73 F74 A80 | P42-E76 HydrophobicContact CG-CB 4.07Å; G73-E76 VanDerWaalsContact C-OE2 3.23Å; G73-E76 WeakPolarHBondContact CA-OE2 3.41Å; G73-E76 PolarHBondContact N-OE2 3.47Å; F74-E76 PolarHBondContact O-N 2.74Å; E76-A80 VanDerWaalsContact O-CB 3.29Å; E76-A80 WeakPolarHBondContact O-CB 3.43Å; E76-A80 PolarHBondContact O-N 2.89Å |
| 77 | S | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 174.3 | -72.7 | 0 | 0 | 0 | 0 | 113.1 | P42 N43 W54 G73 F74 R75 L79 A80 V81 | P42-S77 WeakPolarHBondContact CD-OG 3.42Å; N43-S77 PolarHBondContact ND2-OG 3.19Å; W54-S77 WeakPolarHBondContact CA-OG 3.1Å; W54-S77 VanDerWaalsContact O-CB 3.3Å; W54-S77 WeakPolarHBondContact O-CB 3.32Å; W54-S77 PolarHBondContact O-OG 3.04Å; G73-S77 WeakPolarHBondContact O-CB 3.47Å; G73-S77 PolarHBondContact O-N 3.5Å; G73-S77 PolarHBondContact O-OG 3.44Å; G73-S77 VanDerWaalsContact O-OG 3.12Å; F74-S77 VanDerWaalsContact O-CB 3.32Å; F74-S77 WeakPolarHBondContact O-CB 3.16Å; F74-S77 PolarHBondContact O-N 2.84Å; R75-S77 VanDerWaalsContact C-N 3.26Å; R75-S77 PolarHBondContact O-N 2.59Å; S77-L79 VanDerWaalsContact C-N 3.34Å; S77-L79 PolarHBondContact O-N 2.96Å; S77-A80 PolarHBondContact O-N 3.17Å; S77-V81 WeakPolarHBondContact O-CG2 3.42Å; S77-V81 PolarHBondContact O-N 2.72Å |
| 78 | L | 98.5 | Very high | 97.5 | Very high | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57 | -49 | 176.2 | -66.8 | 178.2 | 0 | 0 | 0 | 110.9 | F74 R75 A80 V81 K82 F103 L107 M110 F118 | F74-L78 HydrophobicContact CD1-CD1 4.1Å; F74-L78 HydrophobicContact CE1-CD1 3.64Å; F74-L78 HydrophobicContact CE1-CD2 4.46Å; F74-L78 HydrophobicContact CE1-CG 4.2Å; F74-L78 HydrophobicContact CE2-CD2 4.23Å; F74-L78 HydrophobicContact CE2-CG 4.48Å; F74-L78 HydrophobicContact CZ-CD1 3.99Å; F74-L78 HydrophobicContact CZ-CD2 3.97Å; F74-L78 HydrophobicContact CZ-CG 4.17Å; F74-L78 WeakPolarHBondContact O-CG 3.32Å; F74-L78 PolarHBondContact O-N 3.02Å; R75-L78 PolarHBondContact O-N 3.4Å; L78-A80 PolarHBondContact O-N 2.71Å; L78-V81 PolarHBondContact O-N 2.81Å; L78-K82 WeakPolarHBondContact O-CB 3.11Å; L78-K82 PolarHBondContact O-N 3.19Å; L78-F103 HydrophobicContact CD2-CE2 3.76Å; L78-F103 HydrophobicContact CD2-CZ 3.72Å; L78-F103 HydrophobicContact CG-CE2 4.28Å; L78-F103 HydrophobicContact CG-CZ 4.34Å; L78-L107 HydrophobicContact CD2-CD1 3.91Å; L78-M110 HydrophobicContact CD1-CE 3.72Å; L78-M110 HydrophobicContact CD1-SD 3.98Å; L78-M110 HydrophobicContact CD2-SD 3.94Å; L78-F118 HydrophobicContact CB-CE2 4.12Å; L78-F118 HydrophobicContact CD2-CE2 4.03Å; L78-F118 HydrophobicContact CG-CE2 4.47Å |
| 79 | L | 98 | Very high | 97.4 | Very high | 72 Ų | 72 | 57.8 Ų | 57.8 | 38% | 0.377 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 179.7 | -64.5 | 178.3 | 0 | 0 | 0 | 112.1 | R75 S77 K82 K83 D117 | R75-L79 HydrophobicContact CG-CD1 4.34Å; R75-L79 HydrophobicContact CG-CG 4.49Å; R75-L79 WeakPolarHBondContact O-CG 3.32Å; R75-L79 PolarHBondContact O-N 3.47Å; S77-L79 VanDerWaalsContact C-N 3.34Å; S77-L79 PolarHBondContact O-N 2.96Å; L79-K82 PolarHBondContact O-N 2.86Å; L79-K83 VanDerWaalsContact O-CB 3.28Å; L79-K83 WeakPolarHBondContact O-CB 3.48Å; L79-K83 PolarHBondContact O-N 2.81Å; L79-D117 HydrophobicContact CD2-CB 4.31Å |
| 80 | A | 98.4 | Very high | 97.2 | Very high | 28 Ų | 28 | 58.6 Ų | 58.6 | 23% | 0.231 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M39 P42 E76 S77 L78 H84 | M39-A80 HydrophobicContact CE-CB 4.39Å; P42-A80 HydrophobicContact CB-CB 4.47Å; P42-A80 HydrophobicContact CG-CB 4.06Å; E76-A80 VanDerWaalsContact O-CB 3.29Å; E76-A80 WeakPolarHBondContact O-CB 3.43Å; E76-A80 PolarHBondContact O-N 2.89Å; S77-A80 PolarHBondContact O-N 3.17Å; L78-A80 PolarHBondContact O-N 2.71Å; A80-H84 WeakPolarHBondContact O-CB 3.24Å; A80-H84 PolarHBondContact O-N 2.97Å |
| 81 | V | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.5 | -45.1 | 176.8 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | L7 L9 M39 W54 S77 L78 K83 H84 I85 M94 F103 L107 | L7-V81 HydrophobicContact CD2-CG1 4.15Å; L9-V81 HydrophobicContact CD2-CG2 4.48Å; M39-V81 HydrophobicContact CE-CG2 3.75Å; M39-V81 HydrophobicContact SD-CB 4.43Å; M39-V81 HydrophobicContact SD-CG2 3.72Å; W54-V81 HydrophobicContact CH2-CG2 4.38Å; W54-V81 HydrophobicContact CZ3-CG2 3.82Å; S77-V81 WeakPolarHBondContact O-CG2 3.42Å; S77-V81 PolarHBondContact O-N 2.72Å; L78-V81 PolarHBondContact O-N 2.81Å; V81-K83 VanDerWaalsContact C-N 3.3Å; V81-K83 PolarHBondContact O-N 3.03Å; V81-H84 PolarHBondContact O-N 2.66Å; V81-H84 VanDerWaalsContact O-N 3.1Å; V81-I85 HydrophobicContact CG1-CD1 3.71Å; V81-I85 HydrophobicContact CG1-CG1 4.13Å; V81-I85 WeakPolarHBondContact O-CG1 3.33Å; V81-I85 PolarHBondContact O-N 2.67Å; V81-M94 HydrophobicContact CG1-CE 4.1Å; V81-F103 HydrophobicContact CG2-CE1 3.74Å; V81-F103 HydrophobicContact CG2-CZ 4.33Å; V81-L107 HydrophobicContact CB-CD2 4.31Å; V81-L107 HydrophobicContact CG1-CD2 3.61Å |
| 82 | K | 96.8 | Very high | 97 | Very high | 44 Ų | 44 | 54.2 Ų | 54.2 | 19% | 0.191 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.1 | -45.7 | 177 | -173.8 | 179.6 | 179.5 | -173.8 | 0 | 111.3 | L78 L79 K86 D117 F118 D120 Y121 | L78-K82 WeakPolarHBondContact O-CB 3.11Å; L78-K82 PolarHBondContact O-N 3.19Å; L79-K82 PolarHBondContact O-N 2.86Å; K82-K86 PolarHBondContact O-N 3.15Å; K82-K86 VanDerWaalsContact O-N 3.13Å; K82-D117 PolarHBondContact NZ-O 2.91Å; K82-F118 HydrophobicContact CB-CE1 4Å; K82-F118 HydrophobicContact CB-CZ 4.05Å; K82-F118 HydrophobicContact CD-CD1 4.47Å; K82-F118 HydrophobicContact CD-CE1 4.26Å; K82-F118 HydrophobicContact CG-CE1 4.07Å; K82-D120 VanDerWaalsContact NZ-CG 3.3Å; K82-D120 IonicContact NZ-OD1 3.82Å; K82-D120 PolarHBondContact NZ-OD1 3.21Å; K82-D120 IonicContact NZ-OD2 2.66Å; K82-D120 PolarHBondContact NZ-OD2 2.82Å; K82-Y121 HydrophobicContact CG-CD2 4.4Å |
| 83 | K | 96.6 | Very high | 97 | Very high | 125 Ų | 125 | 52.6 Ų | 52.6 | 54% | 0.543 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 174.4 | -179 | -178.8 | 174 | -176 | 0 | 111.7 | L79 V81 I85 K86 E87 | L79-K83 VanDerWaalsContact O-CB 3.28Å; L79-K83 WeakPolarHBondContact O-CB 3.48Å; L79-K83 PolarHBondContact O-N 2.81Å; V81-K83 VanDerWaalsContact C-N 3.3Å; V81-K83 PolarHBondContact O-N 3.03Å; K83-I85 PolarHBondContact O-N 3.33Å; K83-K86 WeakPolarHBondContact O-CB 3.33Å; K83-K86 PolarHBondContact O-N 3.11Å; K83-K86 VanDerWaalsContact O-N 3.15Å; K83-E87 WeakPolarHBondContact CE-OE1 3.49Å; K83-E87 WeakPolarHBondContact CE-OE2 3.47Å; K83-E87 HydrophobicContact CG-CG 4.4Å; K83-E87 IonicContact NZ-OE1 3.15Å; K83-E87 WeakPolarHBondContact O-CG 3.24Å; K83-E87 PolarHBondContact O-N 3.38Å |
| 84 | H | 97.2 | Very high | 97 | Very high | 41 Ų | 41 | 52.3 Ų | 52.3 | 19% | 0.19 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.2 | -39.8 | -179.1 | -167.6 | 73.7 | 0 | 0 | 0 | 112.6 | L7 M39 A80 V81 K86 E87 E88 F91 | L7-H84 VanDerWaalsContact CD1-CD2 3.47Å; L7-H84 WeakPolarHBondContact CD1-CD2 3.46Å; M39-H84 HydrophobicContact CE-CB 4.32Å; M39-H84 HydrophobicContact SD-CB 4.24Å; A80-H84 WeakPolarHBondContact O-CB 3.24Å; A80-H84 PolarHBondContact O-N 2.97Å; V81-H84 PolarHBondContact O-N 2.66Å; V81-H84 VanDerWaalsContact O-N 3.1Å; H84-K86 VanDerWaalsContact C-N 3.31Å; H84-K86 PolarHBondContact O-N 3.03Å; H84-E87 PolarHBondContact O-N 3.39Å; H84-E88 WeakPolarHBondContact O-CB 3.38Å; H84-E88 PolarHBondContact O-N 3.25Å; H84-F91 AromaticContact CD2-CZ 4Å; H84-F91 AromaticContact NE2-CZ 3.98Å |
| 85 | I | 96.7 | Very high | 97 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 174.3 | -68.1 | 170.9 | 0 | 0 | 0 | 110.9 | L7 V81 K83 G89 F91 M111 M123 | L7-I85 HydrophobicContact CD2-CG1 3.99Å; V81-I85 HydrophobicContact CG1-CD1 3.71Å; V81-I85 HydrophobicContact CG1-CG1 4.13Å; V81-I85 WeakPolarHBondContact O-CG1 3.33Å; V81-I85 PolarHBondContact O-N 2.67Å; K83-I85 PolarHBondContact O-N 3.33Å; I85-G89 WeakPolarHBondContact O-CA 3.28Å; I85-G89 PolarHBondContact O-N 3.47Å; I85-F91 HydrophobicContact CB-CD2 4.4Å; I85-F91 HydrophobicContact CG1-CD2 4.07Å; I85-F91 HydrophobicContact CG1-CE2 4.4Å; I85-F91 HydrophobicContact CG2-CD2 4.4Å; I85-M111 HydrophobicContact CD1-SD 4.02Å; I85-M123 HydrophobicContact CG2-CB 4.34Å; I85-M123 HydrophobicContact CG2-CE 4.18Å; I85-M123 HydrophobicContact CG2-CG 4.13Å |
| 86 | K | 95.5 | Very high | 97 | Very high | 157 Ų | 157 | 44.9 Ų | 44.9 | 68% | 0.683 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -66 | -40.6 | 177.8 | -173.1 | 174.8 | -177.2 | 168.8 | 0 | 113 | K82 K83 H84 M123 | K82-K86 PolarHBondContact O-N 3.15Å; K82-K86 VanDerWaalsContact O-N 3.13Å; K83-K86 WeakPolarHBondContact O-CB 3.33Å; K83-K86 PolarHBondContact O-N 3.11Å; K83-K86 VanDerWaalsContact O-N 3.15Å; H84-K86 VanDerWaalsContact C-N 3.31Å; H84-K86 PolarHBondContact O-N 3.03Å; K86-M123 HydrophobicContact CB-SD 4.4Å; K86-M123 HydrophobicContact CG-SD 4.4Å |
| 87 | E | 96 | Very high | 97.1 | Very high | 119 Ų | 119 | 40.6 Ų | 40.6 | 56% | 0.556 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -81.2 | -37.8 | -175.5 | -70 | 175.4 | 161.5 | 0 | 0 | 112.8 | K83 H84 | K83-E87 WeakPolarHBondContact CE-OE1 3.49Å; K83-E87 WeakPolarHBondContact CE-OE2 3.47Å; K83-E87 HydrophobicContact CG-CG 4.4Å; K83-E87 IonicContact NZ-OE1 3.15Å; K83-E87 WeakPolarHBondContact O-CG 3.24Å; K83-E87 PolarHBondContact O-N 3.38Å; H84-E87 PolarHBondContact O-N 3.39Å |
| 88 | E | 95.4 | Very high | 97 | Very high | 89 Ų | 89 | 41.1 Ų | 41.1 | 42% | 0.416 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -114.7 | 1.9 | -171.6 | -65 | -69 | 148.5 | 0 | 0 | 112.9 | K5 H84 F91 | K5-E88 WeakPolarHBondContact CE-O 3.36Å; K5-E88 PolarHBondContact NZ-O 2.79Å; H84-E88 WeakPolarHBondContact O-CB 3.38Å; H84-E88 PolarHBondContact O-N 3.25Å; E88-F91 HydrophobicContact CB-CE2 4.04Å; E88-F91 HydrophobicContact CB-CZ 3.82Å |
| 89 | G | 94.1 | Very high | 97.1 | Very high | 26 Ų | 26 | 41 Ų | 41 | 27% | 0.268 | 21% | 0.21 | S | C | . | . | trans | -73.8 | -175 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | I85 | I85-G89 WeakPolarHBondContact O-CA 3.28Å; I85-G89 PolarHBondContact O-N 3.47Å | ||
| 90 | P | 94.2 | Very high | 97.1 | Very high | 92 Ų | 92 | 37.5 Ų | 37.5 | 60% | 0.597 | 19% | 0.192 | S | C | * | . | cis | -69.1 | 147.5 | -7 | 29.8 | -34.6 | 0 | 0 | 0 | 111.7 | ||||
| 91 | F | 96.3 | Very high | 97.1 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | trans | -104.6 | 129.1 | 171.8 | -72 | -79.3 | 0 | 0 | 0 | 109.1 | K5 L7 K37 H84 I85 E88 I126 | K5-F91 HydrophobicContact CB-CD1 4.28Å; K5-F91 HydrophobicContact CD-CD1 4.02Å; K5-F91 HydrophobicContact CD-CE1 3.92Å; K5-F91 HydrophobicContact CG-CD1 3.7Å; K5-F91 HydrophobicContact CG-CE1 3.81Å; L7-F91 HydrophobicContact CB-CD1 3.7Å; L7-F91 HydrophobicContact CB-CD2 4.42Å; L7-F91 HydrophobicContact CB-CE1 3.82Å; L7-F91 HydrophobicContact CB-CG 4.02Å; L7-F91 HydrophobicContact CB-CZ 4.24Å; L7-F91 HydrophobicContact CD1-CE1 4.33Å; L7-F91 HydrophobicContact CD1-CZ 4.18Å; L7-F91 HydrophobicContact CD2-CD2 4.44Å; L7-F91 HydrophobicContact CD2-CE2 4.29Å; K37-F91 HydrophobicContact CB-CE1 3.86Å; K37-F91 HydrophobicContact CB-CZ 4.37Å; K37-F91 HydrophobicContact CG-CE1 3.87Å; K37-F91 HydrophobicContact CG-CZ 4.48Å; H84-F91 AromaticContact CD2-CZ 4Å; H84-F91 AromaticContact NE2-CZ 3.98Å; I85-F91 HydrophobicContact CB-CD2 4.4Å; I85-F91 HydrophobicContact CG1-CD2 4.07Å; I85-F91 HydrophobicContact CG1-CE2 4.4Å; I85-F91 HydrophobicContact CG2-CD2 4.4Å; E88-F91 HydrophobicContact CB-CE2 4.04Å; E88-F91 HydrophobicContact CB-CZ 3.82Å; F91-I126 HydrophobicContact CB-CD1 4Å | ||
| 92 | D | 96.1 | Very high | 97.2 | Very high | 32 Ų | 32 | 36.2 Ų | 36.2 | 17% | 0.171 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -76.3 | -33.1 | 176.7 | -63.2 | -76.4 | 0 | 0 | 0 | 111.9 | L4 K5 K127 F128 | L4-D92 VanDerWaalsContact CA-OD2 3.3Å; L4-D92 WeakPolarHBondContact CA-OD2 3.3Å; L4-D92 HydrophobicContact CB-CB 4.01Å; L4-D92 HydrophobicContact CD2-CB 3.7Å; L4-D92 VanDerWaalsContact CD2-CG 3.44Å; L4-D92 HydrophobicContact CG-CB 4.42Å; K5-D92 PolarHBondContact N-OD2 2.93Å; K5-D92 PolarHBondContact O-N 2.77Å; D92-K127 HydrophobicContact CB-CD 4.31Å; D92-K127 WeakPolarHBondContact O-CA 3.45Å; D92-K127 VanDerWaalsContact O-CB 3.22Å; D92-K127 WeakPolarHBondContact O-CB 3.49Å; D92-K127 PolarHBondContact O-N 2.79Å; D92-K127 IonicContact OD1-NZ 2.68Å; D92-K127 PolarHBondContact OD1-NZ 2.81Å; D92-F128 HydrophobicContact CB-CE1 4.34Å |
| 93 | G | 97 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 167.1 | -175 | 0 | 0 | 0 | 0 | 0 | 113.1 | K5 V6 L7 F128 | K5-G93 PolarHBondContact O-N 2.81Å; V6-G93 VanDerWaalsContact CA-O 3.28Å; V6-G93 WeakPolarHBondContact CA-O 3.34Å; L7-G93 PolarHBondContact N-O 3.22Å; G93-F128 WeakPolarHBondContact CA-O 3.36Å |
| 94 | M | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 148.6 | 172.7 | -60.3 | -175.5 | 76.6 | 0 | 0 | 111.4 | L7 L9 V81 L104 L107 M111 I126 F128 T129 I130 | L7-M94 HydrophobicContact CB-CE 4.36Å; L7-M94 HydrophobicContact CB-CG 4.27Å; L7-M94 HydrophobicContact CD2-CE 3.7Å; L7-M94 HydrophobicContact CG-CE 4.15Å; L7-M94 CarbonylContact O-C 3.47Å; L7-M94 VanDerWaalsContact O-CA 3.3Å; L7-M94 WeakPolarHBondContact O-CA 3.5Å; L9-M94 HydrophobicContact CD1-CE 4.05Å; L9-M94 HydrophobicContact CD2-CE 4.44Å; L9-M94 HydrophobicContact CG-CE 4.42Å; V81-M94 HydrophobicContact CG1-CE 4.1Å; M94-L104 HydrophobicContact CB-CD1 3.6Å; M94-L104 HydrophobicContact CB-CD2 3.58Å; M94-L104 HydrophobicContact CB-CG 4.26Å; M94-L104 HydrophobicContact CE-CD1 3.67Å; M94-L104 HydrophobicContact CG-CD1 4.16Å; M94-L104 HydrophobicContact SD-CD1 3.5Å; M94-L104 VanDerWaalsContact SD-CD1 3.5Å; M94-L107 HydrophobicContact CE-CD2 3.61Å; M94-L107 HydrophobicContact SD-CD2 4.25Å; M94-M111 HydrophobicContact SD-CE 3.98Å; M94-I126 HydrophobicContact CB-CG2 4.46Å; M94-I126 HydrophobicContact CG-CD1 3.83Å; M94-I126 HydrophobicContact CG-CG1 4.07Å; M94-I126 HydrophobicContact CG-CG2 3.96Å; M94-I126 HydrophobicContact SD-CD1 3.94Å; M94-I126 HydrophobicContact SD-CG1 3.83Å; M94-F128 PolarHBondContact N-O 3.02Å; M94-T129 HydrophobicContact CB-CG2 4.37Å; M94-T129 CarbonylContact O-C 3.58Å; M94-T129 VanDerWaalsContact O-CA 3.24Å; M94-T129 WeakPolarHBondContact O-CA 3.47Å; M94-I130 PolarHBondContact O-N 2.91Å |
| 95 | F | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 121.6 | -178.4 | 167.6 | -130.8 | 0 | 0 | 0 | 110 | V6 L7 C8 L9 F19 T23 F26 I130 V132 I192 | V6-F95 HydrophobicContact CG1-CB 3.82Å; L7-F95 PolarHBondContact O-N 2.89Å; C8-F95 CarbonylContact C-O 3.34Å; C8-F95 VanDerWaalsContact CA-O 3.28Å; C8-F95 WeakPolarHBondContact CA-O 3.29Å; C8-F95 HydrophobicContact CB-CD1 4.29Å; L9-F95 PolarHBondContact N-O 2.88Å; F19-F95 HydrophobicContact CE1-CD1 4.24Å; F19-F95 HydrophobicContact CE1-CE1 4.01Å; F19-F95 HydrophobicContact CE2-CE1 4.15Å; F19-F95 HydrophobicContact CE2-CZ 4.33Å; F19-F95 HydrophobicContact CZ-CD1 4.02Å; F19-F95 AromaticContact CZ-CE1 3.4Å; F19-F95 HydrophobicContact CZ-CE1 3.4Å; F19-F95 AromaticContact CZ-CZ 3.75Å; F19-F95 HydrophobicContact CZ-CZ 3.75Å; T23-F95 HydrophobicContact CG2-CE1 3.76Å; T23-F95 HydrophobicContact CG2-CZ 4.32Å; F26-F95 HydrophobicContact CD1-CD1 4.45Å; F26-F95 HydrophobicContact CD1-CE1 4Å; F26-F95 HydrophobicContact CD1-CZ 4.3Å; F26-F95 AromaticContact CE1-CD1 3.91Å; F26-F95 HydrophobicContact CE1-CD1 3.91Å; F26-F95 HydrophobicContact CE1-CD2 4.47Å; F26-F95 AromaticContact CE1-CE1 3.85Å; F26-F95 HydrophobicContact CE1-CE1 3.85Å; F26-F95 HydrophobicContact CE1-CE2 4.45Å; F26-F95 HydrophobicContact CE1-CG 4.23Å; F26-F95 HydrophobicContact CE1-CZ 4.15Å; F26-F95 HydrophobicContact CZ-CD2 4.44Å; F26-F95 HydrophobicContact CZ-CE2 4.44Å; F95-I130 CarbonylContact C-O 3.55Å; F95-I130 WeakPolarHBondContact CA-O 3.38Å; F95-I130 HydrophobicContact CB-CB 4.49Å; F95-I130 HydrophobicContact CD2-CB 3.87Å; F95-I130 HydrophobicContact CD2-CG2 3.77Å; F95-I130 WeakPolarHBondContact CD2-O 3.35Å; F95-I130 HydrophobicContact CE2-CG2 4.15Å; F95-V132 HydrophobicContact CE2-CB 4.39Å; F95-V132 HydrophobicContact CE2-CG2 3.68Å; F95-V132 HydrophobicContact CZ-CG2 4.39Å; F95-I192 HydrophobicContact CE1-CD1 4.47Å; F95-I192 HydrophobicContact CZ-CD1 3.79Å; F95-I192 HydrophobicContact CZ-CG1 4.34Å |
| 96 | G | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 147 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L9 I130 V132 | L9-G96 WeakPolarHBondContact O-CA 3.35Å; G96-I130 PolarHBondContact N-O 2.93Å; G96-V132 PolarHBondContact O-N 3.45Å |
| 97 | F | 98.8 | Very high | 97.7 | Very high | 14 Ų | 14 | 18.6 Ų | 18.6 | 6% | 0.061 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 132.6 | 170.5 | 176.4 | -100.6 | 0 | 0 | 0 | 111.3 | L9 G11 F19 Q99 G100 A101 V132 H190 I192 | L9-F97 PolarHBondContact O-N 3.39Å; L9-F97 VanDerWaalsContact O-N 3.12Å; G11-F97 VanDerWaalsContact CA-O 3.31Å; G11-F97 WeakPolarHBondContact CA-O 3.5Å; G11-F97 PolarHBondContact N-O 3.03Å; F19-F97 HydrophobicContact CE2-CB 3.55Å; F19-F97 HydrophobicContact CE2-CG 4.2Å; F19-F97 HydrophobicContact CZ-CB 3.61Å; F97-Q99 PolarHBondContact O-N 2.79Å; F97-G100 WeakPolarHBondContact O-CA 3.47Å; F97-G100 PolarHBondContact O-N 3.35Å; F97-A101 PolarHBondContact O-N 2.86Å; F97-V132 CarbonylContact C-O 3.58Å; F97-V132 WeakPolarHBondContact CA-O 3.45Å; F97-V132 HydrophobicContact CD2-CB 3.85Å; F97-V132 HydrophobicContact CD2-CG1 3.59Å; F97-V132 HydrophobicContact CE2-CG1 3.86Å; F97-H190 AromaticContact CE1-CD2 3.94Å; F97-H190 AromaticContact CE1-NE2 3.54Å; F97-H190 AromaticContact CZ-CD2 3.5Å; F97-H190 VanDerWaalsContact CZ-CD2 3.5Å; F97-H190 WeakPolarHBondContact CZ-CD2 3.15Å; F97-H190 AromaticContact CZ-CE1 3.84Å; F97-H190 AromaticContact CZ-NE2 3.36Å; F97-H190 WeakPolarHBondContact CZ-NE2 3.38Å; F97-I192 HydrophobicContact CD2-CD1 4.29Å; F97-I192 HydrophobicContact CD2-CG1 3.8Å; F97-I192 HydrophobicContact CE2-CG1 4.15Å |
| 98 | S | 98.6 | Very high | 97.7 | Very high | 10 Ų | 10 | 13 Ų | 13 | 7% | 0.07 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | -121.1 | 173.8 | -172.2 | 0 | 0 | 0 | 0 | 111 | G100 A101 A102 V132 A133 H190 | S98-G100 PolarHBondContact O-N 2.88Å; S98-A101 WeakPolarHBondContact O-CA 3.31Å; S98-A101 WeakPolarHBondContact O-CB 3.41Å; S98-A101 PolarHBondContact O-N 3.12Å; S98-A102 PolarHBondContact O-N 2.79Å; S98-V132 PolarHBondContact N-O 3.47Å; S98-A133 WeakPolarHBondContact CA-O 3.21Å; S98-H190 VanDerWaalsContact CB-CE1 3.49Å; S98-H190 WeakPolarHBondContact CB-CE1 3.1Å; S98-H190 VanDerWaalsContact CB-NE2 3.29Å; S98-H190 WeakPolarHBondContact CB-NE2 3.37Å; S98-H190 PolarHBondContact OG-CE1 3.1Å; S98-H190 VanDerWaalsContact OG-CE1 3.28Å; S98-H190 PolarHBondContact OG-NE2 3.38Å |
| 99 | Q | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -53.3 | -38.3 | 174.7 | -167.3 | -173.9 | 52.8 | 0 | 0 | 113.1 | W54 W55 F62 F97 A101 A102 F103 | W54-Q99 HydrophobicContact CB-CG 4.35Å; W55-Q99 HydrophobicContact CE3-CG 3.98Å; W55-Q99 HydrophobicContact CH2-CG 3.72Å; W55-Q99 HydrophobicContact CZ2-CG 4.46Å; W55-Q99 HydrophobicContact CZ3-CG 3.43Å; W55-Q99 VanDerWaalsContact CZ3-CG 3.43Å; W55-Q99 PolarHBondContact O-NE2 2.76Å; F62-Q99 HydrophobicContact CD1-CG 4.34Å; F62-Q99 VanDerWaalsContact CD1-NE2 3.32Å; F62-Q99 HydrophobicContact CE1-CB 4.12Å; F62-Q99 HydrophobicContact CE1-CG 3.93Å; F62-Q99 HydrophobicContact CE2-CG 4.43Å; F62-Q99 HydrophobicContact CZ-CG 4Å; F97-Q99 PolarHBondContact O-N 2.79Å; Q99-A101 VanDerWaalsContact C-N 3.3Å; Q99-A101 PolarHBondContact O-N 2.89Å; Q99-A102 PolarHBondContact O-N 2.98Å; Q99-F103 WeakPolarHBondContact O-CB 3.22Å; Q99-F103 PolarHBondContact O-N 3.3Å |
| 100 | G | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -67.7 | -28.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | H10 F97 S98 L104 | H10-G100 VanDerWaalsContact O-CA 3.24Å; H10-G100 WeakPolarHBondContact O-CA 3.42Å; H10-G100 PolarHBondContact O-N 3.43Å; H10-G100 VanDerWaalsContact O-N 3.16Å; F97-G100 WeakPolarHBondContact O-CA 3.47Å; F97-G100 PolarHBondContact O-N 3.35Å; S98-G100 PolarHBondContact O-N 2.88Å; G100-L104 WeakPolarHBondContact O-CB 3.22Å; G100-L104 PolarHBondContact O-N 3.01Å |
| 101 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 3.8 Ų | 3.8 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -73.7 | -42 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F97 S98 Q99 L104 L105 L131 V132 P134 | F97-A101 PolarHBondContact O-N 2.86Å; S98-A101 WeakPolarHBondContact O-CA 3.31Å; S98-A101 WeakPolarHBondContact O-CB 3.41Å; S98-A101 PolarHBondContact O-N 3.12Å; Q99-A101 VanDerWaalsContact C-N 3.3Å; Q99-A101 PolarHBondContact O-N 2.89Å; A101-L104 PolarHBondContact O-N 3.39Å; A101-L105 PolarHBondContact O-N 3.38Å; A101-L131 HydrophobicContact CB-CB 4.37Å; A101-L131 HydrophobicContact CB-CD2 4.28Å; A101-V132 WeakPolarHBondContact CB-O 3.29Å; A101-P134 HydrophobicContact CB-CB 3.94Å |
| 102 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -64.1 | -41.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | W55 S98 Q99 L105 L106 F135 | W55-A102 HydrophobicContact CH2-CB 3.9Å; S98-A102 PolarHBondContact O-N 2.79Å; Q99-A102 PolarHBondContact O-N 2.98Å; A102-L105 PolarHBondContact O-N 2.9Å; A102-L106 PolarHBondContact O-N 3.47Å; A102-F135 HydrophobicContact CB-CD1 3.95Å; A102-F135 HydrophobicContact CB-CD2 3.78Å; A102-F135 HydrophobicContact CB-CE1 3.67Å; A102-F135 HydrophobicContact CB-CE2 3.46Å; A102-F135 VanDerWaalsContact CB-CE2 3.46Å; A102-F135 HydrophobicContact CB-CG 4.01Å; A102-F135 HydrophobicContact CB-CZ 3.39Å; A102-F135 WeakPolarHBondContact CB-O 3.39Å |
| 103 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -61.1 | -46.1 | 172.3 | -176.1 | -106.2 | 0 | 0 | 0 | 111.6 | L9 W54 W55 F74 L78 V81 Q99 L105 L106 L107 | L9-F103 HydrophobicContact CD1-CD1 3.73Å; L9-F103 HydrophobicContact CD1-CE1 4.23Å; W54-F103 HydrophobicContact CB-CB 4.04Å; W54-F103 HydrophobicContact CB-CD2 4.02Å; W54-F103 HydrophobicContact CB-CG 3.97Å; W54-F103 HydrophobicContact CD2-CB 4.46Å; W54-F103 AromaticContact CD2-CD1 3.97Å; W54-F103 HydrophobicContact CD2-CD1 3.97Å; W54-F103 HydrophobicContact CD2-CE1 4.42Å; W54-F103 HydrophobicContact CD2-CG 4.16Å; W54-F103 AromaticContact CE3-CD1 3.77Å; W54-F103 HydrophobicContact CE3-CD1 3.77Å; W54-F103 AromaticContact CE3-CE1 3.76Å; W54-F103 HydrophobicContact CE3-CE1 3.76Å; W54-F103 HydrophobicContact CE3-CG 4.23Å; W54-F103 HydrophobicContact CE3-CZ 4.21Å; W54-F103 HydrophobicContact CG-CB 4.02Å; W54-F103 HydrophobicContact CG-CD1 4.34Å; W54-F103 HydrophobicContact CG-CG 4.05Å; W54-F103 HydrophobicContact CZ3-CD1 4.33Å; W54-F103 HydrophobicContact CZ3-CE1 4.09Å; W55-F103 HydrophobicContact CE3-CB 4.47Å; W55-F103 HydrophobicContact CE3-CD2 4.32Å; W55-F103 HydrophobicContact CZ3-CB 3.87Å; W55-F103 HydrophobicContact CZ3-CD2 4.48Å; F74-F103 AromaticContact CD2-CD2 3.95Å; F74-F103 HydrophobicContact CD2-CD2 3.95Å; F74-F103 AromaticContact CD2-CE2 3.81Å; F74-F103 HydrophobicContact CD2-CE2 3.81Å; F74-F103 AromaticContact CE2-CD2 3.72Å; F74-F103 HydrophobicContact CE2-CD2 3.72Å; F74-F103 AromaticContact CE2-CE2 3.64Å; F74-F103 HydrophobicContact CE2-CE2 3.64Å; L78-F103 HydrophobicContact CD2-CE2 3.76Å; L78-F103 HydrophobicContact CD2-CZ 3.72Å; L78-F103 HydrophobicContact CG-CE2 4.28Å; L78-F103 HydrophobicContact CG-CZ 4.34Å; V81-F103 HydrophobicContact CG2-CE1 3.74Å; V81-F103 HydrophobicContact CG2-CZ 4.33Å; Q99-F103 WeakPolarHBondContact O-CB 3.22Å; Q99-F103 PolarHBondContact O-N 3.3Å; F103-L105 VanDerWaalsContact C-N 3.29Å; F103-L105 PolarHBondContact O-N 3.08Å; F103-L106 PolarHBondContact O-N 3.12Å; F103-L107 HydrophobicContact CE1-CB 4.43Å; F103-L107 HydrophobicContact CE1-CD2 4.12Å; F103-L107 VanDerWaalsContact O-CB 3.28Å; F103-L107 WeakPolarHBondContact O-CB 3.44Å; F103-L107 PolarHBondContact O-N 3.47Å |
| 104 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.9 | -36.6 | 178.5 | -179.7 | 52.7 | 0 | 0 | 0 | 112.3 | L9 M94 G100 A101 L107 Q108 T129 L131 | L9-L104 HydrophobicContact CD1-CB 4.07Å; L9-L104 HydrophobicContact CD1-CD1 4.38Å; M94-L104 HydrophobicContact CB-CD1 3.6Å; M94-L104 HydrophobicContact CB-CD2 3.58Å; M94-L104 HydrophobicContact CB-CG 4.26Å; M94-L104 HydrophobicContact CE-CD1 3.67Å; M94-L104 HydrophobicContact CG-CD1 4.16Å; M94-L104 HydrophobicContact SD-CD1 3.5Å; M94-L104 VanDerWaalsContact SD-CD1 3.5Å; G100-L104 WeakPolarHBondContact O-CB 3.22Å; G100-L104 PolarHBondContact O-N 3.01Å; A101-L104 PolarHBondContact O-N 3.39Å; L104-L107 HydrophobicContact CD1-CD2 4.24Å; L104-L107 PolarHBondContact O-N 2.94Å; L104-Q108 WeakPolarHBondContact O-CB 3.21Å; L104-Q108 WeakPolarHBondContact O-CG 3.2Å; L104-Q108 PolarHBondContact O-N 3.42Å; L104-T129 HydrophobicContact CD1-CG2 4.33Å; L104-T129 HydrophobicContact CD2-CG2 4.22Å; L104-T129 HydrophobicContact CG-CG2 4.27Å; L104-L131 HydrophobicContact CB-CD2 4Å; L104-L131 HydrophobicContact CD2-CD2 3.72Å; L104-L131 HydrophobicContact CG-CD2 3.84Å |
| 105 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.9 | -40.9 | 176.2 | -176 | 59.7 | 0 | 0 | 0 | 112 | A101 A102 F103 Q108 I109 L131 I136 Y146 T150 T173 V176 F177 | A101-L105 PolarHBondContact O-N 3.38Å; A102-L105 PolarHBondContact O-N 2.9Å; F103-L105 VanDerWaalsContact C-N 3.29Å; F103-L105 PolarHBondContact O-N 3.08Å; L105-Q108 WeakPolarHBondContact O-CG 3.39Å; L105-I109 VanDerWaalsContact O-CD1 3.24Å; L105-I109 WeakPolarHBondContact O-CD1 3.22Å; L105-I109 VanDerWaalsContact O-CG1 3.29Å; L105-I109 WeakPolarHBondContact O-CG1 3.23Å; L105-L131 HydrophobicContact CD1-CD1 4.34Å; L105-I136 HydrophobicContact CD2-CD1 4.26Å; L105-Y146 HydrophobicContact CD2-CE1 4Å; L105-Y146 HydrophobicContact CG-CE1 4.03Å; L105-T150 HydrophobicContact CD1-CG2 4.49Å; L105-T173 HydrophobicContact CD2-CG2 3.96Å; L105-V176 HydrophobicContact CD1-CG1 4.01Å; L105-V176 HydrophobicContact CD2-CG1 4.5Å; L105-V176 HydrophobicContact CG-CG1 4.33Å; L105-F177 HydrophobicContact CD1-CE1 4.33Å; L105-F177 HydrophobicContact CD1-CE2 4.48Å; L105-F177 HydrophobicContact CD1-CZ 3.9Å |
| 106 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.1 | -51.4 | 172 | -71.3 | 165.4 | 0 | 0 | 0 | 110.9 | F74 A102 F103 Q108 I109 M110 H142 I145 Y146 | F74-L106 HydrophobicContact CE2-CD1 3.83Å; F74-L106 HydrophobicContact CZ-CB 4.41Å; F74-L106 HydrophobicContact CZ-CD1 4.1Å; A102-L106 PolarHBondContact O-N 3.47Å; F103-L106 PolarHBondContact O-N 3.12Å; L106-Q108 VanDerWaalsContact C-N 3.34Å; L106-Q108 PolarHBondContact O-N 2.86Å; L106-I109 PolarHBondContact O-N 3.04Å; L106-M110 WeakPolarHBondContact O-CG 3.11Å; L106-M110 PolarHBondContact O-N 2.77Å; L106-H142 HydrophobicContact CD1-CB 4.14Å; L106-H142 HydrophobicContact CD2-CB 4.01Å; L106-I145 HydrophobicContact CD2-CB 3.97Å; L106-I145 HydrophobicContact CD2-CD1 3.93Å; L106-I145 HydrophobicContact CD2-CG2 3.9Å; L106-Y146 HydrophobicContact CD2-CD1 4.4Å; L106-Y146 HydrophobicContact CD2-CD2 4.4Å; L106-Y146 HydrophobicContact CD2-CE1 3.76Å; L106-Y146 HydrophobicContact CD2-CE2 3.73Å; L106-Y146 WeakPolarHBondContact CD2-OH 2.8Å; L106-Y146 HydrophobicContact CG-CE1 4.22Å; L106-Y146 WeakPolarHBondContact CG-OH 3.35Å |
| 107 | L | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -56.8 | -45.3 | -176.7 | 179.7 | 70.6 | 0 | 0 | 0 | 111.9 | L9 L78 V81 M94 F103 L104 I109 M110 M111 F118 | L9-L107 HydrophobicContact CD1-CD2 4.47Å; L78-L107 HydrophobicContact CD2-CD1 3.91Å; V81-L107 HydrophobicContact CB-CD2 4.31Å; V81-L107 HydrophobicContact CG1-CD2 3.61Å; M94-L107 HydrophobicContact CE-CD2 3.61Å; M94-L107 HydrophobicContact SD-CD2 4.25Å; F103-L107 HydrophobicContact CE1-CB 4.43Å; F103-L107 HydrophobicContact CE1-CD2 4.12Å; F103-L107 VanDerWaalsContact O-CB 3.28Å; F103-L107 WeakPolarHBondContact O-CB 3.44Å; F103-L107 PolarHBondContact O-N 3.47Å; L104-L107 HydrophobicContact CD1-CD2 4.24Å; L104-L107 PolarHBondContact O-N 2.94Å; L107-I109 VanDerWaalsContact C-N 3.31Å; L107-I109 PolarHBondContact O-N 3Å; L107-M110 PolarHBondContact O-N 2.89Å; L107-M111 HydrophobicContact CD1-CG 4.29Å; L107-M111 HydrophobicContact CD1-SD 4.28Å; L107-M111 HydrophobicContact CD2-CE 4.24Å; L107-M111 HydrophobicContact CD2-SD 4.48Å; L107-M111 HydrophobicContact CG-CE 3.86Å; L107-M111 HydrophobicContact CG-CG 4.39Å; L107-M111 HydrophobicContact CG-SD 4.06Å; L107-M111 WeakPolarHBondContact O-CB 3.23Å; L107-M111 VanDerWaalsContact O-CG 3.29Å; L107-M111 WeakPolarHBondContact O-CG 3.29Å; L107-M111 PolarHBondContact O-N 3.02Å; L107-F118 HydrophobicContact CD1-CE1 4.09Å; L107-F118 HydrophobicContact CD1-CE2 3.78Å; L107-F118 HydrophobicContact CD1-CZ 3.31Å |
| 108 | Q | 97.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.8 | -36 | -178.1 | 79.3 | 177.6 | -36.7 | 0 | 0 | 112.4 | L104 L105 L106 M111 E112 T129 T150 I152 | L104-Q108 WeakPolarHBondContact O-CB 3.21Å; L104-Q108 WeakPolarHBondContact O-CG 3.2Å; L104-Q108 PolarHBondContact O-N 3.42Å; L105-Q108 WeakPolarHBondContact O-CG 3.39Å; L106-Q108 VanDerWaalsContact C-N 3.34Å; L106-Q108 PolarHBondContact O-N 2.86Å; Q108-M111 HydrophobicContact CB-CE 4.34Å; Q108-E112 VanDerWaalsContact O-CB 3.23Å; Q108-E112 WeakPolarHBondContact O-CB 3.24Å; Q108-E112 PolarHBondContact O-N 3.27Å; Q108-T129 PolarHBondContact OE1-OG1 3.2Å; Q108-T150 HydrophobicContact CG-CG2 4.2Å; Q108-I152 HydrophobicContact CB-CD1 3.84Å; Q108-I152 HydrophobicContact CG-CD1 4.42Å |
| 109 | I | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68 | -46.8 | 174.1 | -62.7 | 163.9 | 0 | 0 | 0 | 110 | L105 L106 L107 M111 E112 H113 L115 I145 Y146 H148 T150 V176 | L105-I109 VanDerWaalsContact O-CD1 3.24Å; L105-I109 WeakPolarHBondContact O-CD1 3.22Å; L105-I109 VanDerWaalsContact O-CG1 3.29Å; L105-I109 WeakPolarHBondContact O-CG1 3.23Å; L106-I109 PolarHBondContact O-N 3.04Å; L107-I109 VanDerWaalsContact C-N 3.31Å; L107-I109 PolarHBondContact O-N 3Å; I109-M111 VanDerWaalsContact C-N 3.31Å; I109-M111 PolarHBondContact O-N 2.51Å; I109-E112 PolarHBondContact O-N 3.2Å; I109-H113 WeakPolarHBondContact O-CB 3.41Å; I109-H113 PolarHBondContact O-CD2 3.17Å; I109-H113 VanDerWaalsContact O-CD2 3.28Å; I109-H113 PolarHBondContact O-N 2.62Å; I109-L115 HydrophobicContact CG2-CD1 4.38Å; I109-I145 HydrophobicContact CB-CG2 3.98Å; I109-I145 HydrophobicContact CD1-CG2 4.42Å; I109-I145 HydrophobicContact CG2-CG2 3.75Å; I109-I145 WeakPolarHBondContact CG2-O 3.31Å; I109-Y146 HydrophobicContact CD1-CD1 3.87Å; I109-Y146 HydrophobicContact CD1-CE1 4.39Å; I109-H148 HydrophobicContact CG2-CB 3.7Å; I109-T150 HydrophobicContact CG1-CG2 4.34Å; I109-V176 HydrophobicContact CD1-CG1 3.36Å; I109-V176 HydrophobicContact CG1-CG1 4.39Å |
| 110 | M | 97.9 | Very high | 97.2 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.5 | -39.7 | 179.4 | -65.6 | 179.6 | 81.1 | 0 | 0 | 112.2 | F74 L78 L106 L107 K114 L115 D116 F118 I145 | F74-M110 HydrophobicContact CE1-SD 4.46Å; F74-M110 HydrophobicContact CZ-SD 4.13Å; L78-M110 HydrophobicContact CD1-CE 3.72Å; L78-M110 HydrophobicContact CD1-SD 3.98Å; L78-M110 HydrophobicContact CD2-SD 3.94Å; L106-M110 WeakPolarHBondContact O-CG 3.11Å; L106-M110 PolarHBondContact O-N 2.77Å; L107-M110 PolarHBondContact O-N 2.89Å; M110-K114 CarbonylContact O-C 3.51Å; M110-K114 VanDerWaalsContact O-CA 3.28Å; M110-K114 WeakPolarHBondContact O-CA 3.1Å; M110-K114 PolarHBondContact O-N 2.71Å; M110-L115 HydrophobicContact CB-CB 4.3Å; M110-L115 HydrophobicContact CG-CB 4.3Å; M110-L115 HydrophobicContact CG-CD1 4.32Å; M110-L115 PolarHBondContact O-N 3.25Å; M110-D116 HydrophobicContact CE-CB 4.15Å; M110-F118 HydrophobicContact CB-CD2 4.03Å; M110-I145 HydrophobicContact CE-CD1 4.34Å; M110-I145 HydrophobicContact CG-CD1 4.14Å; M110-I145 HydrophobicContact CG-CG1 4.38Å; M110-I145 HydrophobicContact CG-CG2 3.87Å; M110-I145 HydrophobicContact SD-CD1 3.77Å |
| 111 | M | 96.7 | Very high | 96.8 | Very high | 12 Ų | 12 | 30.5 Ų | 30.5 | 6% | 0.059 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.1 | -47.7 | 175.5 | -71.8 | -176.1 | -53.5 | 0 | 0 | 112.1 | I85 M94 L107 Q108 I109 H113 K114 F118 Y121 I126 | I85-M111 HydrophobicContact CD1-SD 4.02Å; M94-M111 HydrophobicContact SD-CE 3.98Å; L107-M111 HydrophobicContact CD1-CG 4.29Å; L107-M111 HydrophobicContact CD1-SD 4.28Å; L107-M111 HydrophobicContact CD2-CE 4.24Å; L107-M111 HydrophobicContact CD2-SD 4.48Å; L107-M111 HydrophobicContact CG-CE 3.86Å; L107-M111 HydrophobicContact CG-CG 4.39Å; L107-M111 HydrophobicContact CG-SD 4.06Å; L107-M111 WeakPolarHBondContact O-CB 3.23Å; L107-M111 VanDerWaalsContact O-CG 3.29Å; L107-M111 WeakPolarHBondContact O-CG 3.29Å; L107-M111 PolarHBondContact O-N 3.02Å; Q108-M111 HydrophobicContact CB-CE 4.34Å; I109-M111 VanDerWaalsContact C-N 3.31Å; I109-M111 PolarHBondContact O-N 2.51Å; M111-H113 PolarHBondContact O-N 3.18Å; M111-K114 PolarHBondContact O-N 2.93Å; M111-F118 HydrophobicContact CB-CD1 4.42Å; M111-F118 HydrophobicContact CG-CD1 3.52Å; M111-F118 HydrophobicContact CG-CE1 3.5Å; M111-F118 VanDerWaalsContact CG-CE1 3.5Å; M111-F118 HydrophobicContact CG-CG 4.25Å; M111-F118 HydrophobicContact CG-CZ 4.21Å; M111-F118 HydrophobicContact SD-CE1 4.17Å; M111-Y121 HydrophobicContact CB-CD1 4.32Å; M111-Y121 HydrophobicContact CB-CE1 4.09Å; M111-Y121 HydrophobicContact CG-CD1 4.46Å; M111-Y121 HydrophobicContact CG-CE1 4.1Å; M111-Y121 HydrophobicContact SD-CE1 4.23Å; M111-Y121 HydrophobicContact SD-CE2 4.46Å; M111-I126 HydrophobicContact CE-CG1 3.95Å |
| 112 | E | 96 | Very high | 96.4 | Very high | 63 Ų | 63 | 36.9 Ų | 36.9 | 29% | 0.294 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.2 | -40.8 | -178 | -177.6 | 176.9 | -171.9 | 0 | 0 | 112.2 | Q108 I109 T150 S151 I152 | Q108-E112 VanDerWaalsContact O-CB 3.23Å; Q108-E112 WeakPolarHBondContact O-CB 3.24Å; Q108-E112 PolarHBondContact O-N 3.27Å; I109-E112 PolarHBondContact O-N 3.2Å; E112-T150 WeakPolarHBondContact OE2-CA 3.09Å; E112-T150 VanDerWaalsContact OE2-CB 3.22Å; E112-T150 WeakPolarHBondContact OE2-CB 3.43Å; E112-T150 PolarHBondContact OE2-OG1 3.32Å; E112-S151 WeakPolarHBondContact OE1-CB 3.43Å; E112-S151 PolarHBondContact OE1-N 3.21Å; E112-S151 PolarHBondContact OE1-OG 2.8Å; E112-S151 PolarHBondContact OE2-N 3.38Å; E112-I152 HydrophobicContact CB-CD1 4.39Å |
| 113 | H | 96.5 | Very high | 95.9 | Very high | 71 Ų | 71 | 39.4 Ų | 39.4 | 33% | 0.329 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 4 | -177.3 | -64.3 | -86.7 | 0 | 0 | 0 | 114 | I109 M111 L115 H148 K149 | I109-H113 WeakPolarHBondContact O-CB 3.41Å; I109-H113 PolarHBondContact O-CD2 3.17Å; I109-H113 VanDerWaalsContact O-CD2 3.28Å; I109-H113 PolarHBondContact O-N 2.62Å; M111-H113 PolarHBondContact O-N 3.18Å; H113-L115 VanDerWaalsContact C-N 3.35Å; H113-L115 HydrophobicContact CB-CD1 4.4Å; H113-L115 HydrophobicContact CB-CD2 3.91Å; H113-L115 HydrophobicContact CB-CG 3.91Å; H113-L115 PolarHBondContact O-N 3.44Å; H113-H148 PolarHBondContact CE1-O 3.14Å; H113-H148 PolarHBondContact NE2-O 3.25Å; H113-K149 PolarHBondContact CD2-O 3.43Å; H113-K149 PolarHBondContact NE2-O 2.61Å |
| 114 | K | 96.3 | Very high | 95.4 | Very high | 114 Ų | 114 | 46.2 Ų | 46.2 | 50% | 0.496 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 48.2 | -179.9 | -57.6 | -168.3 | 178 | -153.9 | 0 | 113.4 | M110 M111 F118 S119 Y121 | M110-K114 CarbonylContact O-C 3.51Å; M110-K114 VanDerWaalsContact O-CA 3.28Å; M110-K114 WeakPolarHBondContact O-CA 3.1Å; M110-K114 PolarHBondContact O-N 2.71Å; M111-K114 PolarHBondContact O-N 2.93Å; K114-F118 WeakPolarHBondContact CA-O 3.35Å; K114-F118 WeakPolarHBondContact CB-O 3.47Å; K114-S119 WeakPolarHBondContact O-CA 3.46Å; K114-Y121 WeakPolarHBondContact CE-O 3.38Å; K114-Y121 PolarHBondContact NZ-O 2.84Å |
| 115 | L | 97 | Very high | 94.9 | Very high | 27 Ų | 27 | 50.7 Ų | 50.7 | 14% | 0.141 | 27% | 0.266 | C | S | . | . | trans | -81 | 141.5 | -178.8 | -52.9 | 179.8 | 0 | 0 | 0 | 111.2 | I109 M110 H113 D117 F118 I145 | I109-L115 HydrophobicContact CG2-CD1 4.38Å; M110-L115 HydrophobicContact CB-CB 4.3Å; M110-L115 HydrophobicContact CG-CB 4.3Å; M110-L115 HydrophobicContact CG-CD1 4.32Å; M110-L115 PolarHBondContact O-N 3.25Å; H113-L115 VanDerWaalsContact C-N 3.35Å; H113-L115 HydrophobicContact CB-CD1 4.4Å; H113-L115 HydrophobicContact CB-CD2 3.91Å; H113-L115 HydrophobicContact CB-CG 3.91Å; H113-L115 PolarHBondContact O-N 3.44Å; L115-D117 PolarHBondContact O-N 3.37Å; L115-F118 WeakPolarHBondContact O-CA 3.29Å; L115-F118 WeakPolarHBondContact O-CB 3.31Å; L115-F118 PolarHBondContact O-N 3.38Å; L115-I145 HydrophobicContact CD1-CG2 4.26Å | ||
| 116 | D | 94.4 | Very high | 94.6 | Very high | 117 Ų | 117 | 51.1 Ų | 51.1 | 63% | 0.626 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | 48.3 | -116.4 | 170.4 | -54.1 | -48 | 0 | 0 | 0 | 114.4 | M110 F118 S119 | M110-D116 HydrophobicContact CE-CB 4.15Å; D116-F118 PolarHBondContact O-N 3.33Å; D116-S119 WeakPolarHBondContact O-CB 3.45Å; D116-S119 PolarHBondContact O-N 2.91Å; D116-S119 PolarHBondContact O-OG 2.86Å |
| 117 | D | 95 | Very high | 94.4 | Very high | 36 Ų | 36 | 55.1 Ų | 55.1 | 19% | 0.193 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -63.5 | -5.1 | 179.1 | -68.2 | -69 | 0 | 0 | 0 | 113.2 | R75 L79 K82 L115 | R75-D117 IonicContact CZ-OD1 3.13Å; R75-D117 IonicContact NE-OD1 3.96Å; R75-D117 PolarHBondContact NE-OD1 3.35Å; R75-D117 VanDerWaalsContact NE-OD1 3.13Å; R75-D117 IonicContact NE-OD2 2.9Å; R75-D117 PolarHBondContact NE-OD2 3.22Å; R75-D117 IonicContact NH2-OD1 3.45Å; R75-D117 PolarHBondContact NH2-OD1 3.38Å; L79-D117 HydrophobicContact CD2-CB 4.31Å; K82-D117 PolarHBondContact NZ-O 2.91Å; L115-D117 PolarHBondContact O-N 3.37Å |
| 118 | F | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -107.9 | 9.4 | 174.2 | -68.4 | -92.5 | 0 | 0 | 0 | 113.8 | L78 K82 L107 M110 M111 K114 L115 D116 D120 Y121 | L78-F118 HydrophobicContact CB-CE2 4.12Å; L78-F118 HydrophobicContact CD2-CE2 4.03Å; L78-F118 HydrophobicContact CG-CE2 4.47Å; K82-F118 HydrophobicContact CB-CE1 4Å; K82-F118 HydrophobicContact CB-CZ 4.05Å; K82-F118 HydrophobicContact CD-CD1 4.47Å; K82-F118 HydrophobicContact CD-CE1 4.26Å; K82-F118 HydrophobicContact CG-CE1 4.07Å; L107-F118 HydrophobicContact CD1-CE1 4.09Å; L107-F118 HydrophobicContact CD1-CE2 3.78Å; L107-F118 HydrophobicContact CD1-CZ 3.31Å; M110-F118 HydrophobicContact CB-CD2 4.03Å; M111-F118 HydrophobicContact CB-CD1 4.42Å; M111-F118 HydrophobicContact CG-CD1 3.52Å; M111-F118 HydrophobicContact CG-CE1 3.5Å; M111-F118 VanDerWaalsContact CG-CE1 3.5Å; M111-F118 HydrophobicContact CG-CG 4.25Å; M111-F118 HydrophobicContact CG-CZ 4.21Å; M111-F118 HydrophobicContact SD-CE1 4.17Å; K114-F118 WeakPolarHBondContact CA-O 3.35Å; K114-F118 WeakPolarHBondContact CB-O 3.47Å; L115-F118 WeakPolarHBondContact O-CA 3.29Å; L115-F118 WeakPolarHBondContact O-CB 3.31Å; L115-F118 PolarHBondContact O-N 3.38Å; D116-F118 PolarHBondContact O-N 3.33Å; F118-D120 PolarHBondContact O-N 3.29Å; F118-Y121 HydrophobicContact CD1-CD1 4.44Å; F118-Y121 AromaticContact CD1-CD2 3.52Å; F118-Y121 HydrophobicContact CD1-CD2 3.52Å; F118-Y121 HydrophobicContact CD1-CE2 4.04Å; F118-Y121 AromaticContact CD1-CG 3.74Å; F118-Y121 HydrophobicContact CD1-CG 3.74Å; F118-Y121 AromaticContact CE1-CD2 3.93Å; F118-Y121 HydrophobicContact CE1-CD2 3.93Å; F118-Y121 HydrophobicContact CE1-CE2 4.02Å; F118-Y121 WeakPolarHBondContact O-CB 3.43Å; F118-Y121 PolarHBondContact O-N 2.73Å |
| 119 | S | 95.6 | Very high | 94.3 | Very high | 83 Ų | 83 | 55 Ų | 55 | 58% | 0.58 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -33.7 | 176.9 | 49.6 | 0 | 0 | 0 | 0 | 114.2 | K114 D116 | K114-S119 WeakPolarHBondContact O-CA 3.46Å; D116-S119 WeakPolarHBondContact O-CB 3.45Å; D116-S119 PolarHBondContact O-N 2.91Å; D116-S119 PolarHBondContact O-OG 2.86Å |
| 120 | D | 93.8 | Very high | 94.3 | Very high | 103 Ų | 103 | 55.1 Ų | 55.1 | 55% | 0.551 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 10.7 | 175.5 | 66.2 | -30.6 | 0 | 0 | 0 | 113.1 | K82 F118 D122 | K82-D120 VanDerWaalsContact NZ-CG 3.3Å; K82-D120 IonicContact NZ-OD1 3.82Å; K82-D120 PolarHBondContact NZ-OD1 3.21Å; K82-D120 IonicContact NZ-OD2 2.66Å; K82-D120 PolarHBondContact NZ-OD2 2.82Å; F118-D120 PolarHBondContact O-N 3.29Å; D120-D122 PolarHBondContact O-N 3.39Å |
| 121 | Y | 91.1 | Very high | 94.3 | Very high | 12 Ų | 12 | 55 Ų | 55 | 5% | 0.047 | 29% | 0.285 | C | S | . | . | trans | -67.2 | 119.1 | -177.7 | -168.5 | -108.6 | 0 | 0 | 0 | 111 | K82 M111 K114 F118 M123 | K82-Y121 HydrophobicContact CG-CD2 4.4Å; M111-Y121 HydrophobicContact CB-CD1 4.32Å; M111-Y121 HydrophobicContact CB-CE1 4.09Å; M111-Y121 HydrophobicContact CG-CD1 4.46Å; M111-Y121 HydrophobicContact CG-CE1 4.1Å; M111-Y121 HydrophobicContact SD-CE1 4.23Å; M111-Y121 HydrophobicContact SD-CE2 4.46Å; K114-Y121 WeakPolarHBondContact CE-O 3.38Å; K114-Y121 PolarHBondContact NZ-O 2.84Å; F118-Y121 HydrophobicContact CD1-CD1 4.44Å; F118-Y121 AromaticContact CD1-CD2 3.52Å; F118-Y121 HydrophobicContact CD1-CD2 3.52Å; F118-Y121 HydrophobicContact CD1-CE2 4.04Å; F118-Y121 AromaticContact CD1-CG 3.74Å; F118-Y121 HydrophobicContact CD1-CG 3.74Å; F118-Y121 AromaticContact CE1-CD2 3.93Å; F118-Y121 HydrophobicContact CE1-CD2 3.93Å; F118-Y121 HydrophobicContact CE1-CE2 4.02Å; F118-Y121 WeakPolarHBondContact O-CB 3.43Å; F118-Y121 PolarHBondContact O-N 2.73Å; Y121-M123 HydrophobicContact CD2-CG 4.19Å; Y121-M123 HydrophobicContact CE1-CB 3.97Å; Y121-M123 HydrophobicContact CE2-CB 3.85Å; Y121-M123 HydrophobicContact CE2-CG 3.63Å | ||
| 122 | D | 89.8 | Confident | 94.4 | Very high | 134 Ų | 134 | 54.5 Ų | 54.5 | 72% | 0.717 | 28% | 0.283 | S | S | * | . | trans | -124.2 | 6.7 | -172.7 | 64.7 | -17.6 | 0 | 0 | 0 | 113.2 | D120 | D120-D122 PolarHBondContact O-N 3.39Š| ||
| 123 | M | 88.9 | Confident | 94.6 | Very high | 53 Ų | 53 | 51.6 Ų | 51.6 | 26% | 0.261 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -76 | 155.5 | 177.5 | -54.4 | -63.9 | -59.9 | 0 | 0 | 111.5 | I85 K86 Y121 | I85-M123 HydrophobicContact CG2-CB 4.34Å; I85-M123 HydrophobicContact CG2-CE 4.18Å; I85-M123 HydrophobicContact CG2-CG 4.13Å; K86-M123 HydrophobicContact CB-SD 4.4Å; K86-M123 HydrophobicContact CG-SD 4.4Å; Y121-M123 HydrophobicContact CD2-CG 4.19Å; Y121-M123 HydrophobicContact CE1-CB 3.97Å; Y121-M123 HydrophobicContact CE2-CB 3.85Å; Y121-M123 HydrophobicContact CE2-CG 3.63Å |
| 124 | E | 88.1 | Confident | 94.7 | Very high | 142 Ų | 142 | 48.2 Ų | 48.2 | 66% | 0.664 | 25% | 0.254 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 139.7 | 172.4 | -68.9 | -61.3 | 138.8 | 0 | 0 | 111.8 | ||
| 125 | P | 87.8 | Confident | 94.8 | Very high | 95 Ų | 95 | 42.8 Ų | 42.8 | 62% | 0.617 | 23% | 0.23 | S | C | * | . | P | Polyproline II helix | trans | -67 | 140.6 | -178.1 | 27.3 | -33.6 | 0 | 0 | 0 | 111.3 | K127 | P125-K127 PolarHBondContact O-N 3.28Š|
| 126 | I | 93.5 | Very high | 94.9 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 5% | 0.046 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 127.5 | 169 | -58.8 | -60.6 | 0 | 0 | 0 | 108.5 | F91 M94 M111 F128 T129 | F91-I126 HydrophobicContact CB-CD1 4Å; M94-I126 HydrophobicContact CB-CG2 4.46Å; M94-I126 HydrophobicContact CG-CD1 3.83Å; M94-I126 HydrophobicContact CG-CG1 4.07Å; M94-I126 HydrophobicContact CG-CG2 3.96Å; M94-I126 HydrophobicContact SD-CD1 3.94Å; M94-I126 HydrophobicContact SD-CG1 3.83Å; M111-I126 HydrophobicContact CE-CG1 3.95Å; I126-F128 VanDerWaalsContact CG2-O 3.24Å; I126-F128 WeakPolarHBondContact CG2-O 3.44Å; I126-T129 HydrophobicContact CG2-CG2 4.34Å |
| 127 | K | 94.4 | Very high | 95.1 | Very high | 83 Ų | 83 | 36.7 Ų | 36.7 | 36% | 0.361 | 20% | 0.197 | S | C | . | . | trans | -81.1 | -29.4 | -174.5 | -55.3 | 171.5 | -179.8 | 167.2 | 0 | 112.3 | D92 P125 P153 F209 | D92-K127 HydrophobicContact CB-CD 4.31Å; D92-K127 WeakPolarHBondContact O-CA 3.45Å; D92-K127 VanDerWaalsContact O-CB 3.22Å; D92-K127 WeakPolarHBondContact O-CB 3.49Å; D92-K127 PolarHBondContact O-N 2.79Å; D92-K127 IonicContact OD1-NZ 2.68Å; D92-K127 PolarHBondContact OD1-NZ 2.81Å; P125-K127 PolarHBondContact O-N 3.28Å; K127-P153 WeakPolarHBondContact O-CD 3.49Å; K127-F209 HydrophobicContact CB-CD1 3.78Å; K127-F209 HydrophobicContact CB-CE1 4.05Å; K127-F209 HydrophobicContact CB-CG 4.35Å; K127-F209 VanDerWaalsContact O-CE1 3.26Å; K127-F209 WeakPolarHBondContact O-CE1 3.34Å; K127-F209 VanDerWaalsContact O-CZ 3.3Å; K127-F209 WeakPolarHBondContact O-CZ 3.33Å | ||
| 128 | F | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 158.1 | 178.6 | 66.8 | -85.7 | 0 | 0 | 0 | 114.1 | L4 V6 D92 G93 M94 I126 I130 P153 V206 F209 | L4-F128 HydrophobicContact CD1-CE1 4.18Å; V6-F128 HydrophobicContact CG2-CE2 4.3Å; V6-F128 HydrophobicContact CG2-CZ 3.8Å; D92-F128 HydrophobicContact CB-CE1 4.34Å; G93-F128 WeakPolarHBondContact CA-O 3.36Å; M94-F128 PolarHBondContact N-O 3.02Å; I126-F128 VanDerWaalsContact CG2-O 3.24Å; I126-F128 WeakPolarHBondContact CG2-O 3.44Å; F128-I130 HydrophobicContact CD2-CG1 4.31Å; F128-I130 HydrophobicContact CE2-CD1 4.29Å; F128-I130 HydrophobicContact CE2-CG1 4.39Å; F128-P153 CarbonylContact C-O 3.52Å; F128-P153 WeakPolarHBondContact CA-O 3.38Å; F128-P153 WeakPolarHBondContact CB-O 3.24Å; F128-V206 HydrophobicContact CE2-CG2 4.17Å; F128-V206 HydrophobicContact CZ-CG2 4.28Å; F128-F209 HydrophobicContact CB-CD2 3.99Å; F128-F209 HydrophobicContact CB-CE2 3.42Å; F128-F209 VanDerWaalsContact CB-CE2 3.42Å; F128-F209 HydrophobicContact CB-CZ 3.75Å; F128-F209 HydrophobicContact CD1-CB 4.36Å; F128-F209 AromaticContact CD1-CD2 3.49Å; F128-F209 HydrophobicContact CD1-CD2 3.49Å; F128-F209 VanDerWaalsContact CD1-CD2 3.49Å; F128-F209 AromaticContact CD1-CE2 3.87Å; F128-F209 HydrophobicContact CD1-CE2 3.87Å; F128-F209 AromaticContact CD1-CG 3.89Å; F128-F209 HydrophobicContact CD1-CG 3.89Å; F128-F209 HydrophobicContact CE1-CD2 4.21Å; F128-F209 AromaticContact CG-CD2 3.91Å; F128-F209 HydrophobicContact CG-CD2 3.91Å; F128-F209 AromaticContact CG-CE2 3.84Å; F128-F209 HydrophobicContact CG-CE2 3.84Å |
| 129 | T | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 150.5 | 167.2 | 73.1 | 0 | 0 | 0 | 0 | 113.4 | M94 L104 Q108 I126 I152 P153 S154 L155 | M94-T129 HydrophobicContact CB-CG2 4.37Å; M94-T129 CarbonylContact O-C 3.58Å; M94-T129 VanDerWaalsContact O-CA 3.24Å; M94-T129 WeakPolarHBondContact O-CA 3.47Å; L104-T129 HydrophobicContact CD1-CG2 4.33Å; L104-T129 HydrophobicContact CD2-CG2 4.22Å; L104-T129 HydrophobicContact CG-CG2 4.27Å; Q108-T129 PolarHBondContact OE1-OG1 3.2Å; I126-T129 HydrophobicContact CG2-CG2 4.34Å; T129-I152 HydrophobicContact CG2-CG2 4.16Å; T129-P153 PolarHBondContact N-O 2.95Å; T129-S154 CarbonylContact O-C 3.41Å; T129-S154 VanDerWaalsContact O-CA 3.32Å; T129-S154 WeakPolarHBondContact O-CA 3.41Å; T129-S154 WeakPolarHBondContact OG1-CB 3.29Å; T129-S154 PolarHBondContact OG1-OG 3.44Å; T129-L155 PolarHBondContact O-N 3.41Å |
| 130 | I | 98.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 122.1 | 168.1 | -59.1 | 174.9 | 0 | 0 | 0 | 106.9 | F26 L30 M94 F95 G96 F128 V132 L155 I157 V206 | F26-I130 HydrophobicContact CZ-CD1 3.93Å; F26-I130 HydrophobicContact CZ-CG2 4.36Å; L30-I130 HydrophobicContact CD1-CD1 4.46Å; M94-I130 PolarHBondContact O-N 2.91Å; F95-I130 CarbonylContact C-O 3.55Å; F95-I130 WeakPolarHBondContact CA-O 3.38Å; F95-I130 HydrophobicContact CB-CB 4.49Å; F95-I130 HydrophobicContact CD2-CB 3.87Å; F95-I130 HydrophobicContact CD2-CG2 3.77Å; F95-I130 WeakPolarHBondContact CD2-O 3.35Å; F95-I130 HydrophobicContact CE2-CG2 4.15Å; G96-I130 PolarHBondContact N-O 2.93Å; F128-I130 HydrophobicContact CD2-CG1 4.31Å; F128-I130 HydrophobicContact CE2-CD1 4.29Å; F128-I130 HydrophobicContact CE2-CG1 4.39Å; I130-V132 HydrophobicContact CG2-CG2 4.49Å; I130-L155 HydrophobicContact CG1-CB 4.45Å; I130-L155 HydrophobicContact CG2-CD2 4.41Å; I130-I157 HydrophobicContact CG2-CD1 3.72Å; I130-V206 HydrophobicContact CD1-CG2 4.48Å |
| 131 | L | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 109.5 | -172.8 | -58.9 | 174.6 | 0 | 0 | 0 | 108.6 | A101 L104 L105 P134 L155 V156 I157 F177 | A101-L131 HydrophobicContact CB-CB 4.37Å; A101-L131 HydrophobicContact CB-CD2 4.28Å; L104-L131 HydrophobicContact CB-CD2 4Å; L104-L131 HydrophobicContact CD2-CD2 3.72Å; L104-L131 HydrophobicContact CG-CD2 3.84Å; L105-L131 HydrophobicContact CD1-CD1 4.34Å; L131-P134 HydrophobicContact CB-CB 4.05Å; L131-P134 HydrophobicContact CB-CG 4.01Å; L131-L155 PolarHBondContact N-O 3.28Å; L131-V156 HydrophobicContact CD1-CG2 4.29Å; L131-I157 PolarHBondContact O-N 2.97Å; L131-F177 HydrophobicContact CD1-CZ 3.9Å |
| 132 | V | 98.7 | Very high | 96 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128 | 177.6 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | F95 G96 F97 S98 A101 I130 P134 I157 I192 | F95-V132 HydrophobicContact CE2-CB 4.39Å; F95-V132 HydrophobicContact CE2-CG2 3.68Å; F95-V132 HydrophobicContact CZ-CG2 4.39Å; G96-V132 PolarHBondContact O-N 3.45Å; F97-V132 CarbonylContact C-O 3.58Å; F97-V132 WeakPolarHBondContact CA-O 3.45Å; F97-V132 HydrophobicContact CD2-CB 3.85Å; F97-V132 HydrophobicContact CD2-CG1 3.59Å; F97-V132 HydrophobicContact CE2-CG1 3.86Å; S98-V132 PolarHBondContact N-O 3.47Å; A101-V132 WeakPolarHBondContact CB-O 3.29Å; I130-V132 HydrophobicContact CG2-CG2 4.49Å; V132-P134 VanDerWaalsContact C-CD 3.47Å; V132-I157 CarbonylContact C-O 3.59Å; V132-I157 WeakPolarHBondContact CA-O 3.41Å; V132-I157 HydrophobicContact CB-CB 4.4Å; V132-I157 HydrophobicContact CG1-CB 4.46Å; V132-I157 HydrophobicContact CG1-CG2 4.46Å; V132-I157 HydrophobicContact CG2-CB 3.95Å; V132-I157 HydrophobicContact CG2-CD1 3.53Å; V132-I157 HydrophobicContact CG2-CG1 4.23Å; V132-I157 HydrophobicContact CG2-CG2 4.41Å; V132-I192 HydrophobicContact CB-CG1 4.42Å; V132-I192 HydrophobicContact CG1-CG1 3.97Å; V132-I192 HydrophobicContact CG2-CG1 4.31Å; V132-I192 HydrophobicContact CG2-CG2 4.41Å |
| 133 | A | 98.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 2% | 0.017 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 47.8 | 49.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S98 I157 I165 H190 | S98-A133 WeakPolarHBondContact CA-O 3.21Å; A133-I157 PolarHBondContact N-O 3.47Å; A133-I165 HydrophobicContact CB-CB 4.28Å; A133-I165 HydrophobicContact CB-CG1 4.32Å; A133-H190 VanDerWaalsContact CB-CE1 3.49Å; A133-H190 WeakPolarHBondContact CB-CE1 3.37Å |
| 134 | P | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -70.6 | 162.2 | 176.2 | 34.1 | -35.1 | 0 | 0 | 0 | 110.8 | A101 L131 V132 V156 S170 T173 | A101-P134 HydrophobicContact CB-CB 3.94Å; L131-P134 HydrophobicContact CB-CB 4.05Å; L131-P134 HydrophobicContact CB-CG 4.01Å; V132-P134 VanDerWaalsContact C-CD 3.47Å; P134-V156 HydrophobicContact CG-CG1 3.84Å; P134-S170 WeakPolarHBondContact O-CA 3.44Å; P134-S170 WeakPolarHBondContact O-CB 3.3Å; P134-S170 PolarHBondContact O-OG 2.74Å; P134-T173 HydrophobicContact CB-CG2 4.1Å; P134-T173 HydrophobicContact CG-CG2 4.3Å | ||
| 135 | F | 98.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | trans | -154.1 | 156.7 | 173.5 | 53.6 | -87.8 | 0 | 0 | 0 | 109.7 | W55 F62 A64 A102 S137 I165 M169 | W55-F135 HydrophobicContact CH2-CE2 4.28Å; W55-F135 HydrophobicContact CH2-CZ 4.32Å; W55-F135 HydrophobicContact CZ2-CE2 4.36Å; F62-F135 HydrophobicContact CE1-CZ 4.1Å; F62-F135 AromaticContact CZ-CE2 3.87Å; F62-F135 HydrophobicContact CZ-CE2 3.87Å; F62-F135 AromaticContact CZ-CZ 3.61Å; F62-F135 HydrophobicContact CZ-CZ 3.61Å; A64-F135 HydrophobicContact CB-CD1 4.38Å; A64-F135 HydrophobicContact CB-CD2 4.13Å; A64-F135 HydrophobicContact CB-CE1 4Å; A64-F135 HydrophobicContact CB-CE2 3.76Å; A64-F135 HydrophobicContact CB-CG 4.43Å; A64-F135 HydrophobicContact CB-CZ 3.7Å; A102-F135 HydrophobicContact CB-CD1 3.95Å; A102-F135 HydrophobicContact CB-CD2 3.78Å; A102-F135 HydrophobicContact CB-CE1 3.67Å; A102-F135 HydrophobicContact CB-CE2 3.46Å; A102-F135 VanDerWaalsContact CB-CE2 3.46Å; A102-F135 HydrophobicContact CB-CG 4.01Å; A102-F135 HydrophobicContact CB-CZ 3.39Å; A102-F135 WeakPolarHBondContact CB-O 3.39Å; F135-S137 PolarHBondContact O-N 3.03Å; F135-I165 HydrophobicContact CB-CG2 4.07Å; F135-I165 HydrophobicContact CD1-CD1 3.4Å; F135-I165 VanDerWaalsContact CD1-CD1 3.4Å; F135-I165 HydrophobicContact CD1-CG1 3.96Å; F135-I165 HydrophobicContact CD1-CG2 4.11Å; F135-I165 HydrophobicContact CE1-CD1 3.62Å; F135-I165 HydrophobicContact CE1-CG1 4.31Å; F135-I165 HydrophobicContact CG-CD1 4.13Å; F135-I165 HydrophobicContact CZ-CD1 4.5Å; F135-M169 HydrophobicContact CB-CB 4.18Å; F135-M169 HydrophobicContact CB-CE 3.87Å; F135-M169 HydrophobicContact CD2-CE 4.43Å; F135-M169 HydrophobicContact CG-CE 4.26Å | ||
| 136 | I | 98.7 | Very high | 97.8 | Very high | 14 Ų | 14 | 27 Ų | 27 | 7% | 0.072 | 14% | 0.141 | C | C | . | . | trans | -70.5 | 120.6 | 168 | -59.7 | -59.1 | 0 | 0 | 0 | 108.1 | L105 R138 Y146 E172 T173 V176 | L105-I136 HydrophobicContact CD2-CD1 4.26Å; I136-R138 PolarHBondContact O-N 3.16Å; I136-Y146 HydrophobicContact CD1-CD1 4.14Å; I136-Y146 HydrophobicContact CD1-CE1 3.95Å; I136-Y146 HydrophobicContact CD1-CG 4.48Å; I136-Y146 HydrophobicContact CG2-CD2 4.01Å; I136-Y146 HydrophobicContact CG2-CE2 3.67Å; I136-E172 HydrophobicContact CG1-CB 3.95Å; I136-T173 HydrophobicContact CD1-CG2 4.14Å; I136-T173 HydrophobicContact CG1-CG2 4.28Å; I136-V176 HydrophobicContact CD1-CG2 3.47Å; I136-V176 VanDerWaalsContact CD1-CG2 3.47Å | ||
| 137 | S | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | trans | -50.9 | 134.1 | 171.6 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | F135 C139 H142 Q143 Y146 | F135-S137 PolarHBondContact O-N 3.03Å; S137-C139 VanDerWaalsContact C-N 3.34Å; S137-C139 PolarHBondContact OG-N 2.84Å; S137-H142 PolarHBondContact OG-ND1 2.95Å; S137-Q143 PolarHBondContact O-NE2 2.9Å; S137-Y146 PolarHBondContact N-OH 3.43Å | ||
| 138 | R | 98.1 | Very high | 98.2 | Very high | 56 Ų | 56 | 32.4 Ų | 32.4 | 21% | 0.211 | 18% | 0.175 | C | C | . | . | trans | -90.8 | 3.7 | 177.4 | -55.7 | -56.4 | -171.6 | -157.8 | 1.9 | 113.8 | A64 E66 S67 S68 I136 E172 | A64-R138 VanDerWaalsContact O-CG 3.25Å; A64-R138 WeakPolarHBondContact O-CG 3.24Å; E66-R138 VanDerWaalsContact O-CB 3.27Å; E66-R138 WeakPolarHBondContact O-CB 3.31Å; S67-R138 WeakPolarHBondContact CA-O 3.49Å; S68-R138 PolarHBondContact N-O 2.75Å; I136-R138 PolarHBondContact O-N 3.16Å; R138-E172 IonicContact CZ-OE1 3.23Å; R138-E172 IonicContact CZ-OE2 3.96Å; R138-E172 IonicContact NH1-OE1 2.86Å; R138-E172 IonicContact NH1-OE2 2.78Å; R138-E172 PolarHBondContact NH1-OE2 2.95Å; R138-E172 IonicContact NH2-OE1 3.47Å; R138-E172 PolarHBondContact NH2-OE1 3.35Å; R138-E172 IonicContact NH2-OE2 3.86Å; R138-E172 PolarHBondContact NH2-OE2 3.49Å | ||
| 139 | C | 98.3 | Very high | 98.3 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -70.9 | 128 | 171.1 | -177.6 | 0 | 0 | 0 | 0 | 110.5 | S68 S137 L141 H142 Q143 | S68-C139 CarbonylContact O-C 3.54Å; S68-C139 VanDerWaalsContact O-CA 3.32Å; S68-C139 WeakPolarHBondContact O-CA 3.42Å; S137-C139 VanDerWaalsContact C-N 3.34Å; S137-C139 PolarHBondContact OG-N 2.84Å; C139-L141 PolarHBondContact O-N 3.35Å; C139-L141 PolarHBondContact SG-N 3.15Å; C139-H142 HydrophobicContact CB-CB 4.44Å; C139-H142 PolarHBondContact O-N 3.13Å; C139-H142 VanDerWaalsContact O-N 3.13Å; C139-Q143 PolarHBondContact O-NE2 3.42Å |
| 140 | L | 98 | Very high | 98.3 | Very high | 115 Ų | 115 | 36.8 Ų | 36.8 | 60% | 0.602 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -58.9 | -35.1 | 178.2 | -68.1 | 176.4 | 0 | 0 | 0 | 112.4 | S68 A69 H142 Q143 | S68-L140 WeakPolarHBondContact O-CG 3.44Å; S68-L140 PolarHBondContact O-N 3.1Å; A69-L140 HydrophobicContact CB-CD1 4.27Å; L140-H142 PolarHBondContact O-N 3.44Å; L140-Q143 PolarHBondContact O-N 2.78Å |
| 141 | L | 97.9 | Very high | 98.2 | Very high | 103 Ų | 103 | 39.9 Ų | 39.9 | 54% | 0.539 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -66.2 | -25.1 | -179.8 | -55.7 | 175.6 | 0 | 0 | 0 | 112.4 | D71 C139 | D71-L141 HydrophobicContact CB-CD1 4.44Å; D71-L141 WeakPolarHBondContact OD1-CD1 3.46Å; C139-L141 PolarHBondContact O-N 3.35Å; C139-L141 PolarHBondContact SG-N 3.15Å |
| 142 | H | 98.3 | Very high | 98.1 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -88.6 | -13.9 | -178.4 | -57.5 | 174.5 | 0 | 0 | 0 | 113 | W55 D71 F74 L106 S137 C139 L140 A144 I145 | W55-H142 AromaticContact CD1-CE1 3.91Å; W55-H142 AromaticContact NE1-CE1 3.82Å; D71-H142 VanDerWaalsContact CB-NE2 3.27Å; D71-H142 WeakPolarHBondContact CB-NE2 3.35Å; D71-H142 IonicContact OD2-CD2 3.93Å; D71-H142 IonicContact OD2-NE2 2.67Å; D71-H142 PolarHBondContact OD2-NE2 2.93Å; F74-H142 AromaticContact CD1-NE2 3.66Å; F74-H142 AromaticContact CD2-CE1 3.82Å; F74-H142 AromaticContact CD2-NE2 3.84Å; F74-H142 AromaticContact CE1-NE2 3.99Å; F74-H142 AromaticContact CG-NE2 3.59Å; L106-H142 HydrophobicContact CD1-CB 4.14Å; L106-H142 HydrophobicContact CD2-CB 4.01Å; S137-H142 PolarHBondContact OG-ND1 2.95Å; C139-H142 HydrophobicContact CB-CB 4.44Å; C139-H142 PolarHBondContact O-N 3.13Å; C139-H142 VanDerWaalsContact O-N 3.13Å; L140-H142 PolarHBondContact O-N 3.44Å; H142-A144 VanDerWaalsContact C-N 3.35Å; H142-A144 PolarHBondContact O-N 2.96Å; H142-I145 WeakPolarHBondContact O-CB 3.31Å; H142-I145 PolarHBondContact O-N 3.27Å |
| 143 | Q | 97.9 | Very high | 98 | Very high | 74 Ų | 74 | 43.5 Ų | 43.5 | 35% | 0.346 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -64 | -38.1 | -169.1 | -62.3 | -52.2 | -60.4 | 0 | 0 | 113.1 | S137 C139 L140 I145 Y146 | S137-Q143 PolarHBondContact O-NE2 2.9Å; C139-Q143 PolarHBondContact O-NE2 3.42Å; L140-Q143 PolarHBondContact O-N 2.78Å; Q143-I145 PolarHBondContact O-N 3.39Å; Q143-Y146 PolarHBondContact O-N 2.95Å |
| 144 | A | 97.5 | Very high | 97.9 | Very high | 71 Ų | 71 | 43.6 Ų | 43.6 | 59% | 0.587 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -61.6 | -29.2 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | H142 Y146 V147 | H142-A144 VanDerWaalsContact C-N 3.35Å; H142-A144 PolarHBondContact O-N 2.96Å; A144-Y146 PolarHBondContact O-N 3.4Å; A144-V147 WeakPolarHBondContact O-CB 3.16Å; A144-V147 PolarHBondContact O-N 2.78Å |
| 145 | I | 98.4 | Very high | 97.8 | Very high | 12 Ų | 12 | 43.6 Ų | 43.6 | 6% | 0.062 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -63 | -42.3 | 179.6 | -63.3 | 164.2 | 0 | 0 | 0 | 110.6 | F74 L106 I109 M110 L115 H142 Q143 V147 H148 | F74-I145 HydrophobicContact CZ-CD1 4.49Å; L106-I145 HydrophobicContact CD2-CB 3.97Å; L106-I145 HydrophobicContact CD2-CD1 3.93Å; L106-I145 HydrophobicContact CD2-CG2 3.9Å; I109-I145 HydrophobicContact CB-CG2 3.98Å; I109-I145 HydrophobicContact CD1-CG2 4.42Å; I109-I145 HydrophobicContact CG2-CG2 3.75Å; I109-I145 WeakPolarHBondContact CG2-O 3.31Å; M110-I145 HydrophobicContact CE-CD1 4.34Å; M110-I145 HydrophobicContact CG-CD1 4.14Å; M110-I145 HydrophobicContact CG-CG1 4.38Å; M110-I145 HydrophobicContact CG-CG2 3.87Å; M110-I145 HydrophobicContact SD-CD1 3.77Å; L115-I145 HydrophobicContact CD1-CG2 4.26Å; H142-I145 WeakPolarHBondContact O-CB 3.31Å; H142-I145 PolarHBondContact O-N 3.27Å; Q143-I145 PolarHBondContact O-N 3.39Å; I145-V147 PolarHBondContact O-N 3.16Å; I145-V147 VanDerWaalsContact O-N 3.1Å; I145-H148 PolarHBondContact O-CD2 3.29Å; I145-H148 PolarHBondContact O-N 3.01Å |
| 146 | Y | 98.4 | Very high | 97.8 | Very high | 20 Ų | 20 | 43.6 Ų | 43.6 | 8% | 0.078 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -65.7 | -16.7 | -175.4 | -64.7 | -62.6 | 0 | 0 | 0 | 114.4 | L105 L106 I109 I136 S137 Q143 A144 H148 K149 V176 | L105-Y146 HydrophobicContact CD2-CE1 4Å; L105-Y146 HydrophobicContact CG-CE1 4.03Å; L106-Y146 HydrophobicContact CD2-CD1 4.4Å; L106-Y146 HydrophobicContact CD2-CD2 4.4Å; L106-Y146 HydrophobicContact CD2-CE1 3.76Å; L106-Y146 HydrophobicContact CD2-CE2 3.73Å; L106-Y146 WeakPolarHBondContact CD2-OH 2.8Å; L106-Y146 HydrophobicContact CG-CE1 4.22Å; L106-Y146 WeakPolarHBondContact CG-OH 3.35Å; I109-Y146 HydrophobicContact CD1-CD1 3.87Å; I109-Y146 HydrophobicContact CD1-CE1 4.39Å; I136-Y146 HydrophobicContact CD1-CD1 4.14Å; I136-Y146 HydrophobicContact CD1-CE1 3.95Å; I136-Y146 HydrophobicContact CD1-CG 4.48Å; I136-Y146 HydrophobicContact CG2-CD2 4.01Å; I136-Y146 HydrophobicContact CG2-CE2 3.67Å; S137-Y146 PolarHBondContact N-OH 3.43Å; Q143-Y146 PolarHBondContact O-N 2.95Å; A144-Y146 PolarHBondContact O-N 3.4Å; Y146-H148 PolarHBondContact O-N 3.31Å; Y146-K149 PolarHBondContact O-N 2.87Å; Y146-V176 HydrophobicContact CD1-CB 4.48Å; Y146-V176 HydrophobicContact CD1-CG1 3.75Å; Y146-V176 HydrophobicContact CD1-CG2 3.82Å; Y146-V176 HydrophobicContact CE1-CG1 4.47Å; Y146-V176 HydrophobicContact CG-CG2 4.34Å |
| 147 | V | 97.5 | Very high | 97.8 | Very high | 118 Ų | 118 | 42.9 Ų | 42.9 | 72% | 0.715 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -61.5 | -32.7 | 175.9 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | A144 I145 K149 | A144-V147 WeakPolarHBondContact O-CB 3.16Å; A144-V147 PolarHBondContact O-N 2.78Å; I145-V147 PolarHBondContact O-N 3.16Å; I145-V147 VanDerWaalsContact O-N 3.1Å; V147-K149 VanDerWaalsContact C-N 3.31Å; V147-K149 PolarHBondContact O-N 3.06Å |
| 148 | H | 98.1 | Very high | 97.8 | Very high | 87 Ų | 87 | 43.3 Ų | 43.3 | 40% | 0.403 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -72 | -24.1 | -177 | -68 | -88.3 | 0 | 0 | 0 | 113.6 | I109 H113 I145 Y146 | I109-H148 HydrophobicContact CG2-CB 3.7Å; H113-H148 PolarHBondContact CE1-O 3.14Å; H113-H148 PolarHBondContact NE2-O 3.25Å; I145-H148 PolarHBondContact O-CD2 3.29Å; I145-H148 PolarHBondContact O-N 3.01Å; Y146-H148 PolarHBondContact O-N 3.31Å |
| 149 | K | 98.3 | Very high | 97.8 | Very high | 91 Ų | 91 | 40.6 Ų | 40.6 | 40% | 0.396 | 23% | 0.227 | S | C | . | . | trans | 56.5 | 175.6 | -172.7 | -59.7 | -171.9 | 177 | -169.1 | 0 | 113.1 | H113 Y146 V147 N175 V176 V178 | H113-K149 PolarHBondContact CD2-O 3.43Å; H113-K149 PolarHBondContact NE2-O 2.61Å; Y146-K149 PolarHBondContact O-N 2.87Å; V147-K149 VanDerWaalsContact C-N 3.31Å; V147-K149 PolarHBondContact O-N 3.06Å; K149-N175 WeakPolarHBondContact CE-O 3.28Å; K149-V176 CarbonylContact C-O 3.52Å; K149-V176 WeakPolarHBondContact CA-O 3.15Å; K149-V176 WeakPolarHBondContact CB-O 3.29Å; K149-V178 HydrophobicContact CB-CG2 3.9Å | ||
| 150 | T | 98 | Very high | 97.8 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -129.5 | 141.9 | 173.7 | -177.7 | 0 | 0 | 0 | 0 | 112.5 | L105 Q108 I109 E112 I152 V176 F177 V178 | L105-T150 HydrophobicContact CD1-CG2 4.49Å; Q108-T150 HydrophobicContact CG-CG2 4.2Å; I109-T150 HydrophobicContact CG1-CG2 4.34Å; E112-T150 WeakPolarHBondContact OE2-CA 3.09Å; E112-T150 VanDerWaalsContact OE2-CB 3.22Å; E112-T150 WeakPolarHBondContact OE2-CB 3.43Å; E112-T150 PolarHBondContact OE2-OG1 3.32Å; T150-I152 PolarHBondContact OG1-N 3.1Å; T150-V176 PolarHBondContact N-O 2.93Å; T150-F177 HydrophobicContact CG2-CD1 3.53Å; T150-F177 HydrophobicContact CG2-CE1 3.68Å; T150-F177 HydrophobicContact CG2-CG 4.38Å; T150-F177 WeakPolarHBondContact O-CA 3.4Å; T150-V178 PolarHBondContact O-N 2.88Å |
| 151 | S | 97.3 | Very high | 97.8 | Very high | 67 Ų | 67 | 42.6 Ų | 42.6 | 47% | 0.469 | 24% | 0.238 | S | C | . | . | trans | -95.7 | -4.3 | 171.7 | 77.6 | 0 | 0 | 0 | 0 | 113.2 | E112 P153 | E112-S151 WeakPolarHBondContact OE1-CB 3.43Å; E112-S151 PolarHBondContact OE1-N 3.21Å; E112-S151 PolarHBondContact OE1-OG 2.8Å; E112-S151 PolarHBondContact OE2-N 3.38Å; S151-P153 WeakPolarHBondContact O-CD 3.37Å | ||
| 152 | I | 96.1 | Very high | 97.8 | Very high | 19 Ų | 19 | 38 Ų | 38 | 10% | 0.097 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -63.8 | 123.7 | -176.9 | -64.3 | 167.8 | 0 | 0 | 0 | 110.1 | Q108 E112 T129 T150 S154 | Q108-I152 HydrophobicContact CB-CD1 3.84Å; Q108-I152 HydrophobicContact CG-CD1 4.42Å; E112-I152 HydrophobicContact CB-CD1 4.39Å; T129-I152 HydrophobicContact CG2-CG2 4.16Å; T150-I152 PolarHBondContact OG1-N 3.1Å; I152-S154 PolarHBondContact O-N 3.46Å; I152-S154 PolarHBondContact O-OG 2.9Å |
| 153 | P | 95.6 | Very high | 97.8 | Very high | 58 Ų | 58 | 46.9 Ų | 46.9 | 38% | 0.377 | 25% | 0.253 | S | S | . | . | trans | -54.1 | 124.9 | 175.6 | -28.4 | 35.6 | 0 | 0 | 0 | 111.9 | K127 F128 T129 S151 F209 | K127-P153 WeakPolarHBondContact O-CD 3.49Å; F128-P153 CarbonylContact C-O 3.52Å; F128-P153 WeakPolarHBondContact CA-O 3.38Å; F128-P153 WeakPolarHBondContact CB-O 3.24Å; T129-P153 PolarHBondContact N-O 2.95Å; S151-P153 WeakPolarHBondContact O-CD 3.37Å; P153-F209 HydrophobicContact CB-CZ 3.69Å; P153-F209 HydrophobicContact CG-CE1 4.34Å; P153-F209 HydrophobicContact CG-CZ 3.91Å | ||
| 154 | S | 97 | Very high | 97.8 | Very high | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.028 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 144.1 | -171.1 | -60.9 | 0 | 0 | 0 | 0 | 112 | T129 I152 F177 P181 K182 | T129-S154 CarbonylContact O-C 3.41Å; T129-S154 VanDerWaalsContact O-CA 3.32Å; T129-S154 WeakPolarHBondContact O-CA 3.41Å; T129-S154 WeakPolarHBondContact OG1-CB 3.29Å; T129-S154 PolarHBondContact OG1-OG 3.44Å; I152-S154 PolarHBondContact O-N 3.46Å; I152-S154 PolarHBondContact O-OG 2.9Å; S154-F177 VanDerWaalsContact CB-CE1 3.41Å; S154-F177 VanDerWaalsContact OG-CE1 3.32Å; S154-F177 WeakPolarHBondContact OG-CE1 3.48Å; S154-P181 WeakPolarHBondContact O-CB 3.45Å; S154-K182 PolarHBondContact O-N 3.4Å |
| 155 | L | 97.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 116.1 | 165.2 | 173.4 | 60.9 | 0 | 0 | 0 | 108.9 | T129 I130 L131 I157 K182 L184 I201 Y202 I205 | T129-L155 PolarHBondContact O-N 3.41Å; I130-L155 HydrophobicContact CG1-CB 4.45Å; I130-L155 HydrophobicContact CG2-CD2 4.41Å; L131-L155 PolarHBondContact N-O 3.28Å; L155-I157 HydrophobicContact CD1-CG1 4.22Å; L155-I157 HydrophobicContact CD2-CD1 3.8Å; L155-I157 HydrophobicContact CD2-CG1 4.07Å; L155-I157 HydrophobicContact CG-CD1 3.95Å; L155-I157 HydrophobicContact CG-CG1 3.72Å; L155-K182 WeakPolarHBondContact CA-O 3.34Å; L155-K182 HydrophobicContact CD1-CB 3.96Å; L155-L184 HydrophobicContact CD1-CB 4.17Å; L155-I201 HydrophobicContact CD1-CG2 3.9Å; L155-I201 HydrophobicContact CD2-CG2 4.04Å; L155-Y202 HydrophobicContact CD2-CD1 3.65Å; L155-Y202 HydrophobicContact CD2-CE1 3.99Å; L155-I205 HydrophobicContact CB-CD1 3.48Å; L155-I205 VanDerWaalsContact CB-CD1 3.48Å; L155-I205 HydrophobicContact CB-CG2 4.46Å; L155-I205 HydrophobicContact CD2-CG2 4.14Å |
| 156 | V | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 126.2 | 174.9 | 173.3 | 0 | 0 | 0 | 0 | 109.1 | L131 P134 Y158 L174 F177 P181 K182 V183 L184 | L131-V156 HydrophobicContact CD1-CG2 4.29Å; P134-V156 HydrophobicContact CG-CG1 3.84Å; V156-Y158 HydrophobicContact CG1-CD1 3.83Å; V156-Y158 HydrophobicContact CG1-CE1 4.02Å; V156-L174 HydrophobicContact CB-CD2 4.19Å; V156-L174 HydrophobicContact CG1-CD2 4.04Å; V156-L174 HydrophobicContact CG2-CD2 4.22Å; V156-F177 HydrophobicContact CG2-CE2 3.9Å; V156-F177 HydrophobicContact CG2-CZ 3.92Å; V156-P181 HydrophobicContact CG2-CB 4.2Å; V156-P181 HydrophobicContact CG2-CG 4.01Å; V156-K182 PolarHBondContact N-O 3.3Å; V156-V183 HydrophobicContact CB-CG2 4.49Å; V156-V183 CarbonylContact O-C 3.51Å; V156-V183 VanDerWaalsContact O-CA 3.3Å; V156-V183 WeakPolarHBondContact O-CA 3.25Å; V156-L184 PolarHBondContact O-N 2.77Å |
| 157 | I | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129 | -175.1 | -50.5 | 165.7 | 0 | 0 | 0 | 108.7 | I130 L131 V132 A133 L155 L184 P193 Y202 | I130-I157 HydrophobicContact CG2-CD1 3.72Å; L131-I157 PolarHBondContact O-N 2.97Å; V132-I157 CarbonylContact C-O 3.59Å; V132-I157 WeakPolarHBondContact CA-O 3.41Å; V132-I157 HydrophobicContact CB-CB 4.4Å; V132-I157 HydrophobicContact CG1-CB 4.46Å; V132-I157 HydrophobicContact CG1-CG2 4.46Å; V132-I157 HydrophobicContact CG2-CB 3.95Å; V132-I157 HydrophobicContact CG2-CD1 3.53Å; V132-I157 HydrophobicContact CG2-CG1 4.23Å; V132-I157 HydrophobicContact CG2-CG2 4.41Å; A133-I157 PolarHBondContact N-O 3.47Å; L155-I157 HydrophobicContact CD1-CG1 4.22Å; L155-I157 HydrophobicContact CD2-CD1 3.8Å; L155-I157 HydrophobicContact CD2-CG1 4.07Å; L155-I157 HydrophobicContact CG-CD1 3.95Å; L155-I157 HydrophobicContact CG-CG1 3.72Å; I157-L184 VanDerWaalsContact CA-O 3.26Å; I157-L184 WeakPolarHBondContact CA-O 3.41Å; I157-L184 HydrophobicContact CG1-CB 4.23Å; I157-L184 HydrophobicContact CG1-CD2 4.38Å; I157-L184 HydrophobicContact CG2-CB 4.43Å; I157-L184 HydrophobicContact CG2-CD2 4.07Å; I157-L184 HydrophobicContact CG2-CG 4.25Å; I157-P193 HydrophobicContact CG2-CG 3.75Å; I157-Y202 HydrophobicContact CD1-CD1 4.39Å; I157-Y202 HydrophobicContact CD1-CE1 3.5Å |
| 158 | Y | 98.6 | Very high | 97.9 | Very high | 9 Ų | 9 | 47.1 Ų | 47.1 | 4% | 0.035 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 160.4 | 175.1 | 53.9 | -95.5 | 0 | 0 | 0 | 112 | V156 R167 S170 E171 V183 L184 V185 H186 | V156-Y158 HydrophobicContact CG1-CD1 3.83Å; V156-Y158 HydrophobicContact CG1-CE1 4.02Å; Y158-R167 HydrophobicContact CD2-CB 4.48Å; Y158-R167 HydrophobicContact CD2-CG 3.95Å; Y158-R167 HydrophobicContact CE2-CG 3.75Å; Y158-S170 WeakPolarHBondContact CB-OG 3.34Å; Y158-E171 HydrophobicContact CE1-CG 4.36Å; Y158-E171 HydrophobicContact CE2-CG 4.15Å; Y158-E171 WeakPolarHBondContact OH-CG 3.33Å; Y158-E171 PolarHBondContact OH-OE1 2.62Å; Y158-V183 HydrophobicContact CE1-CG1 3.61Å; Y158-L184 PolarHBondContact N-O 3.01Å; Y158-V185 HydrophobicContact CD2-CG1 3.84Å; Y158-V185 HydrophobicContact CD2-CG2 4.22Å; Y158-V185 HydrophobicContact CE1-CG2 4.29Å; Y158-V185 HydrophobicContact CE2-CB 4.13Å; Y158-V185 HydrophobicContact CE2-CG1 3.6Å; Y158-V185 HydrophobicContact CE2-CG2 3.45Å; Y158-V185 VanDerWaalsContact CE2-CG2 3.45Å; Y158-V185 VanDerWaalsContact CZ-CG2 3.5Å; Y158-V185 WeakPolarHBondContact O-CA 3.37Å; Y158-V185 WeakPolarHBondContact OH-CG2 3.33Å; Y158-H186 PolarHBondContact O-CD2 2.57Å; Y158-H186 PolarHBondContact O-N 2.79Å |
| 159 | G | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 140.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T161 H186 G188 | G159-T161 PolarHBondContact O-N 3.4Å; G159-H186 CarbonylContact C-O 3.59Å; G159-H186 VanDerWaalsContact CA-O 3.32Å; G159-H186 WeakPolarHBondContact CA-O 3.47Å; G159-H186 PolarHBondContact N-NE2 3.34Å; G159-G188 CarbonylContact C-O 3.57Å; G159-G188 WeakPolarHBondContact CA-O 3.34Å |
| 160 | E | 98.1 | Very high | 97.9 | Very high | 87 Ų | 87 | 39.3 Ų | 39.3 | 41% | 0.407 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -28.6 | 174.7 | -68.9 | -67.3 | 175.4 | 0 | 0 | 112.8 | R167 V185 H186 G188 | E160-R167 IonicContact OE1-CZ 3.23Å; E160-R167 IonicContact OE1-NH1 2.81Å; E160-R167 PolarHBondContact OE1-NH1 3.24Å; E160-R167 WeakPolarHBondContact OE2-CD 3.34Å; E160-R167 IonicContact OE2-CZ 3.52Å; E160-R167 IonicContact OE2-NE 3.84Å; E160-R167 IonicContact OE2-NH1 2.73Å; E160-R167 PolarHBondContact OE2-NH1 2.99Å; E160-V185 HydrophobicContact CG-CG1 3.84Å; E160-V185 WeakPolarHBondContact OE1-CG1 3.47Å; E160-H186 WeakPolarHBondContact CG-O 3.34Å; E160-H186 PolarHBondContact N-O 3.42Å; E160-G188 PolarHBondContact N-O 2.86Å |
| 161 | T | 98 | Very high | 97.9 | Very high | 72 Ų | 72 | 42.2 Ų | 42.2 | 44% | 0.442 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | 26 | -175 | 56.7 | 0 | 0 | 0 | 0 | 112.2 | G159 F163 D187 G188 G189 | G159-T161 PolarHBondContact O-N 3.4Å; T161-F163 VanDerWaalsContact O-CD2 3.31Å; T161-F163 WeakPolarHBondContact O-CD2 3.4Å; T161-F163 PolarHBondContact O-N 2.95Å; T161-D187 PolarHBondContact OG1-O 3.18Å; T161-G188 PolarHBondContact N-O 3.46Å; T161-G188 VanDerWaalsContact N-O 3.11Å; T161-G188 WeakPolarHBondContact OG1-CA 3.28Å; T161-G188 PolarHBondContact OG1-O 3.38Å; T161-G189 WeakPolarHBondContact O-CA 3.45Å; T161-G189 PolarHBondContact OG1-N 3.24Å |
| 162 | D | 98.5 | Very high | 98 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | trans | -77 | 107.4 | 177.8 | -169.2 | -18.3 | 0 | 0 | 0 | 110.9 | V164 I165 P166 H190 | D162-V164 WeakPolarHBondContact OD1-CA 3.38Å; D162-V164 WeakPolarHBondContact OD1-CB 3.4Å; D162-V164 PolarHBondContact OD1-N 3.19Å; D162-I165 VanDerWaalsContact CB-O 3.29Å; D162-I165 WeakPolarHBondContact CB-O 3.28Å; D162-I165 CarbonylContact O-C 3.55Å; D162-I165 PolarHBondContact OD1-N 3.4Å; D162-P166 VanDerWaalsContact O-CA 3.24Å; D162-P166 WeakPolarHBondContact O-CA 3.11Å; D162-H190 WeakPolarHBondContact OD1-CB 3.48Å; D162-H190 IonicContact OD1-CG 2.67Å; D162-H190 IonicContact OD1-ND1 3.25Å; D162-H190 PolarHBondContact OD1-ND1 2.85Å; D162-H190 WeakPolarHBondContact OD2-CA 3.46Å; D162-H190 IonicContact OD2-CE1 3.67Å; D162-H190 IonicContact OD2-CG 2.59Å; D162-H190 IonicContact OD2-ND1 3.76Å; D162-H190 PolarHBondContact OD2-ND1 2.97Å | ||
| 163 | F | 97.4 | Very high | 98.1 | Very high | 187 Ų | 187 | 41.3 Ų | 41.3 | 82% | 0.82 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -87 | -10.5 | 176.1 | -65.8 | -76.2 | 0 | 0 | 0 | 113.7 | T161 | T161-F163 VanDerWaalsContact O-CD2 3.31Å; T161-F163 WeakPolarHBondContact O-CD2 3.4Å; T161-F163 PolarHBondContact O-N 2.95Å |
| 164 | V | 98 | Very high | 98.3 | Very high | 78 Ų | 78 | 40.5 Ų | 40.5 | 47% | 0.473 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -83.4 | -51.7 | 177.6 | -178.7 | 0 | 0 | 0 | 0 | 109 | Q65 D162 H190 | Q65-V164 PolarHBondContact NE2-O 3.22Å; D162-V164 WeakPolarHBondContact OD1-CA 3.38Å; D162-V164 WeakPolarHBondContact OD1-CB 3.4Å; D162-V164 PolarHBondContact OD1-N 3.19Å; V164-H190 HydrophobicContact CB-CB 4Å; V164-H190 HydrophobicContact CG2-CB 3.81Å |
| 165 | I | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -120.8 | 91.6 | 172 | -54.9 | -58.8 | 0 | 0 | 0 | 107.1 | A64 A133 F135 D162 M169 | A64-I165 HydrophobicContact CB-CD1 3.46Å; A64-I165 VanDerWaalsContact CB-CD1 3.46Å; A133-I165 HydrophobicContact CB-CB 4.28Å; A133-I165 HydrophobicContact CB-CG1 4.32Å; F135-I165 HydrophobicContact CB-CG2 4.07Å; F135-I165 HydrophobicContact CD1-CD1 3.4Å; F135-I165 VanDerWaalsContact CD1-CD1 3.4Å; F135-I165 HydrophobicContact CD1-CG1 3.96Å; F135-I165 HydrophobicContact CD1-CG2 4.11Å; F135-I165 HydrophobicContact CE1-CD1 3.62Å; F135-I165 HydrophobicContact CE1-CG1 4.31Å; F135-I165 HydrophobicContact CG-CD1 4.13Å; F135-I165 HydrophobicContact CZ-CD1 4.5Å; D162-I165 VanDerWaalsContact CB-O 3.29Å; D162-I165 WeakPolarHBondContact CB-O 3.28Å; D162-I165 CarbonylContact O-C 3.55Å; D162-I165 PolarHBondContact OD1-N 3.4Å; I165-M169 HydrophobicContact CG2-CB 4.13Å |
| 166 | P | 98.4 | Very high | 98.3 | Very high | 33 Ų | 33 | 46.4 Ų | 46.4 | 21% | 0.214 | 23% | 0.23 | C | C | . | . | trans | -48 | 143.2 | 174.5 | -30 | 35.4 | 0 | 0 | 0 | 112.4 | D162 E168 M169 S170 | D162-P166 VanDerWaalsContact O-CA 3.24Å; D162-P166 WeakPolarHBondContact O-CA 3.11Å; P166-E168 WeakPolarHBondContact CB-OE2 3.45Å; P166-E168 PolarHBondContact O-N 2.96Å; P166-E168 VanDerWaalsContact O-N 3.1Å; P166-M169 HydrophobicContact CB-CG 4.47Å; P166-M169 HydrophobicContact CG-SD 4.34Å; P166-M169 WeakPolarHBondContact O-CB 3.42Å; P166-M169 PolarHBondContact O-N 2.92Å; P166-S170 PolarHBondContact O-N 2.94Å | ||
| 167 | R | 98.4 | Very high | 98.3 | Very high | 72 Ų | 72 | 47 Ų | 47 | 27% | 0.272 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -46 | -45.2 | -179.2 | 167.9 | 177.3 | 176.8 | 159.9 | 9.7 | 112.2 | Y158 E160 M169 S170 E171 | Y158-R167 HydrophobicContact CD2-CB 4.48Å; Y158-R167 HydrophobicContact CD2-CG 3.95Å; Y158-R167 HydrophobicContact CE2-CG 3.75Å; E160-R167 IonicContact OE1-CZ 3.23Å; E160-R167 IonicContact OE1-NH1 2.81Å; E160-R167 PolarHBondContact OE1-NH1 3.24Å; E160-R167 WeakPolarHBondContact OE2-CD 3.34Å; E160-R167 IonicContact OE2-CZ 3.52Å; E160-R167 IonicContact OE2-NE 3.84Å; E160-R167 IonicContact OE2-NH1 2.73Å; E160-R167 PolarHBondContact OE2-NH1 2.99Å; R167-M169 PolarHBondContact O-N 2.87Å; R167-S170 PolarHBondContact O-N 2.95Å; R167-E171 HydrophobicContact CG-CG 4.2Å; R167-E171 IonicContact CZ-OE1 2.72Å; R167-E171 VanDerWaalsContact CZ-OE1 3.23Å; R167-E171 IonicContact NE-OE1 3.39Å; R167-E171 PolarHBondContact NE-OE1 2.89Å; R167-E171 IonicContact NE-OE2 3.5Å; R167-E171 IonicContact NH2-OE1 3.57Å; R167-E171 PolarHBondContact NH2-OE1 3.25Å; R167-E171 PolarHBondContact O-N 2.59Å |
| 168 | E | 98.4 | Very high | 98.3 | Very high | 117 Ų | 117 | 51.7 Ų | 51.7 | 55% | 0.547 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.5 | -38.2 | -177.3 | -60.3 | 75.9 | -166.8 | 0 | 0 | 111 | P166 S170 E171 E172 | P166-E168 WeakPolarHBondContact CB-OE2 3.45Å; P166-E168 PolarHBondContact O-N 2.96Å; P166-E168 VanDerWaalsContact O-N 3.1Å; E168-S170 VanDerWaalsContact C-N 3.34Å; E168-S170 PolarHBondContact O-N 3.22Å; E168-E171 PolarHBondContact O-N 3.25Å; E168-E172 WeakPolarHBondContact O-CG 3.28Å; E168-E172 PolarHBondContact O-N 3.5Å |
| 169 | M | 98.7 | Very high | 98.1 | Very high | 14 Ų | 14 | 55.1 Ų | 55.1 | 7% | 0.069 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67 | -34.9 | 177.4 | -64.7 | -175.9 | 54.9 | 0 | 0 | 112.6 | A64 Q65 F135 I165 P166 R167 | A64-M169 HydrophobicContact CB-CE 4.43Å; A64-M169 WeakPolarHBondContact O-CE 3.32Å; Q65-M169 HydrophobicContact CB-SD 4.45Å; Q65-M169 HydrophobicContact CG-CE 4.16Å; Q65-M169 HydrophobicContact CG-SD 3.78Å; F135-M169 HydrophobicContact CB-CB 4.18Å; F135-M169 HydrophobicContact CB-CE 3.87Å; F135-M169 HydrophobicContact CD2-CE 4.43Å; F135-M169 HydrophobicContact CG-CE 4.26Å; I165-M169 HydrophobicContact CG2-CB 4.13Å; P166-M169 HydrophobicContact CB-CG 4.47Å; P166-M169 HydrophobicContact CG-SD 4.34Å; P166-M169 WeakPolarHBondContact O-CB 3.42Å; P166-M169 PolarHBondContact O-N 2.92Å; R167-M169 PolarHBondContact O-N 2.87Å |
| 170 | S | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -72.8 | -37.8 | 172.5 | -69.3 | 0 | 0 | 0 | 0 | 112 | P134 Y158 P166 R167 E168 E172 T173 | P134-S170 WeakPolarHBondContact O-CA 3.44Å; P134-S170 WeakPolarHBondContact O-CB 3.3Å; P134-S170 PolarHBondContact O-OG 2.74Å; Y158-S170 WeakPolarHBondContact CB-OG 3.34Å; P166-S170 PolarHBondContact O-N 2.94Å; R167-S170 PolarHBondContact O-N 2.95Å; E168-S170 VanDerWaalsContact C-N 3.34Å; E168-S170 PolarHBondContact O-N 3.22Å; S170-E172 VanDerWaalsContact C-N 3.32Å; S170-E172 PolarHBondContact O-N 2.87Å; S170-T173 WeakPolarHBondContact O-CB 3.37Å; S170-T173 PolarHBondContact O-N 3.38Å; S170-T173 PolarHBondContact O-OG1 3.3Å |
| 171 | E | 98.5 | Very high | 97.9 | Very high | 61 Ų | 61 | 60.5 Ų | 60.5 | 29% | 0.285 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64 | -34.6 | 175.8 | -73.8 | -177 | 157.5 | 0 | 0 | 112.8 | Y158 R167 E168 T173 L174 | Y158-E171 HydrophobicContact CE1-CG 4.36Å; Y158-E171 HydrophobicContact CE2-CG 4.15Å; Y158-E171 WeakPolarHBondContact OH-CG 3.33Å; Y158-E171 PolarHBondContact OH-OE1 2.62Å; R167-E171 HydrophobicContact CG-CG 4.2Å; R167-E171 IonicContact CZ-OE1 2.72Å; R167-E171 VanDerWaalsContact CZ-OE1 3.23Å; R167-E171 IonicContact NE-OE1 3.39Å; R167-E171 PolarHBondContact NE-OE1 2.89Å; R167-E171 IonicContact NE-OE2 3.5Å; R167-E171 IonicContact NH2-OE1 3.57Å; R167-E171 PolarHBondContact NH2-OE1 3.25Å; R167-E171 PolarHBondContact O-N 2.59Å; E168-E171 PolarHBondContact O-N 3.25Å; E171-T173 PolarHBondContact O-N 3.12Å; E171-T173 VanDerWaalsContact O-N 3.16Å; E171-L174 HydrophobicContact CB-CD1 4.47Å; E171-L174 HydrophobicContact CG-CD1 4.5Å; E171-L174 WeakPolarHBondContact O-CB 3.31Å; E171-L174 WeakPolarHBondContact O-CG 3.43Å; E171-L174 PolarHBondContact O-N 3.19Å |
| 172 | E | 98.4 | Very high | 97.8 | Very high | 67 Ų | 67 | 60.6 Ų | 60.6 | 31% | 0.313 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -55 | -34.1 | 173.8 | -75.5 | 172.2 | -149.1 | 0 | 0 | 112.7 | I136 R138 E168 S170 L174 N175 | I136-E172 HydrophobicContact CG1-CB 3.95Å; R138-E172 IonicContact CZ-OE1 3.23Å; R138-E172 IonicContact CZ-OE2 3.96Å; R138-E172 IonicContact NH1-OE1 2.86Å; R138-E172 IonicContact NH1-OE2 2.78Å; R138-E172 PolarHBondContact NH1-OE2 2.95Å; R138-E172 IonicContact NH2-OE1 3.47Å; R138-E172 PolarHBondContact NH2-OE1 3.35Å; R138-E172 IonicContact NH2-OE2 3.86Å; R138-E172 PolarHBondContact NH2-OE2 3.49Å; E168-E172 WeakPolarHBondContact O-CG 3.28Å; E168-E172 PolarHBondContact O-N 3.5Å; S170-E172 VanDerWaalsContact C-N 3.32Å; S170-E172 PolarHBondContact O-N 2.87Å; E172-L174 PolarHBondContact O-N 2.92Å; E172-N175 PolarHBondContact O-N 2.99Å; E172-N175 PolarHBondContact O-ND2 2.96Å |
| 173 | T | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -63.7 | -23.3 | 179.5 | 73.6 | 0 | 0 | 0 | 0 | 113 | L105 P134 I136 S170 E171 N175 V176 F177 | L105-T173 HydrophobicContact CD2-CG2 3.96Å; P134-T173 HydrophobicContact CB-CG2 4.1Å; P134-T173 HydrophobicContact CG-CG2 4.3Å; I136-T173 HydrophobicContact CD1-CG2 4.14Å; I136-T173 HydrophobicContact CG1-CG2 4.28Å; S170-T173 WeakPolarHBondContact O-CB 3.37Å; S170-T173 PolarHBondContact O-N 3.38Å; S170-T173 PolarHBondContact O-OG1 3.3Å; E171-T173 PolarHBondContact O-N 3.12Å; E171-T173 VanDerWaalsContact O-N 3.16Å; T173-N175 PolarHBondContact O-N 3.18Å; T173-N175 VanDerWaalsContact O-N 3.14Å; T173-V176 WeakPolarHBondContact O-CB 3.18Å; T173-V176 PolarHBondContact O-N 3.04Å; T173-F177 VanDerWaalsContact O-CD2 3.31Å; T173-F177 WeakPolarHBondContact O-CD2 3.49Å; T173-F177 VanDerWaalsContact O-CE2 3.23Å; T173-F177 WeakPolarHBondContact O-CE2 3.49Å |
| 174 | L | 98.6 | Very high | 97.7 | Very high | 42 Ų | 42 | 54.4 Ų | 54.4 | 22% | 0.22 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -62.6 | -23.5 | -179.8 | -56.5 | 178.5 | 0 | 0 | 0 | 112.4 | V156 E171 E172 V176 P181 V183 | V156-L174 HydrophobicContact CB-CD2 4.19Å; V156-L174 HydrophobicContact CG1-CD2 4.04Å; V156-L174 HydrophobicContact CG2-CD2 4.22Å; E171-L174 HydrophobicContact CB-CD1 4.47Å; E171-L174 HydrophobicContact CG-CD1 4.5Å; E171-L174 WeakPolarHBondContact O-CB 3.31Å; E171-L174 WeakPolarHBondContact O-CG 3.43Å; E171-L174 PolarHBondContact O-N 3.19Å; E172-L174 PolarHBondContact O-N 2.92Å; L174-V176 VanDerWaalsContact C-N 3.26Å; L174-V176 PolarHBondContact O-N 3.45Å; L174-P181 HydrophobicContact CD2-CG 3.65Å; L174-V183 HydrophobicContact CD1-CG2 4.46Å; L174-V183 HydrophobicContact CD2-CG2 3.7Å |
| 175 | N | 97.7 | Very high | 97.6 | Very high | 120 Ų | 120 | 53 Ų | 53 | 64% | 0.642 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -77.1 | -10.4 | 178.8 | -62.1 | -53.1 | 0 | 0 | 0 | 113.9 | K149 E172 T173 | K149-N175 WeakPolarHBondContact CE-O 3.28Å; E172-N175 PolarHBondContact O-N 2.99Å; E172-N175 PolarHBondContact O-ND2 2.96Å; T173-N175 PolarHBondContact O-N 3.18Å; T173-N175 VanDerWaalsContact O-N 3.14Å |
| 176 | V | 97.9 | Very high | 97.6 | Very high | 8 Ų | 8 | 53.3 Ų | 53.3 | 5% | 0.048 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -90.3 | -5.9 | -177.9 | 179.8 | 0 | 0 | 0 | 0 | 112.1 | L105 I109 I136 Y146 K149 T150 T173 L174 | L105-V176 HydrophobicContact CD1-CG1 4.01Å; L105-V176 HydrophobicContact CD2-CG1 4.5Å; L105-V176 HydrophobicContact CG-CG1 4.33Å; I109-V176 HydrophobicContact CD1-CG1 3.36Å; I109-V176 HydrophobicContact CG1-CG1 4.39Å; I136-V176 HydrophobicContact CD1-CG2 3.47Å; I136-V176 VanDerWaalsContact CD1-CG2 3.47Å; Y146-V176 HydrophobicContact CD1-CB 4.48Å; Y146-V176 HydrophobicContact CD1-CG1 3.75Å; Y146-V176 HydrophobicContact CD1-CG2 3.82Å; Y146-V176 HydrophobicContact CE1-CG1 4.47Å; Y146-V176 HydrophobicContact CG-CG2 4.34Å; K149-V176 CarbonylContact C-O 3.52Å; K149-V176 WeakPolarHBondContact CA-O 3.15Å; K149-V176 WeakPolarHBondContact CB-O 3.29Å; T150-V176 PolarHBondContact N-O 2.93Å; T173-V176 WeakPolarHBondContact O-CB 3.18Å; T173-V176 PolarHBondContact O-N 3.04Å; L174-V176 VanDerWaalsContact C-N 3.26Å; L174-V176 PolarHBondContact O-N 3.45Å |
| 177 | F | 98.4 | Very high | 97.5 | Very high | 12 Ų | 12 | 57.8 Ų | 57.8 | 5% | 0.053 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -94.4 | 140.9 | 176.5 | -58.6 | -87.1 | 0 | 0 | 0 | 111 | L105 L131 T150 S154 V156 T173 S179 P181 | L105-F177 HydrophobicContact CD1-CE1 4.33Å; L105-F177 HydrophobicContact CD1-CE2 4.48Å; L105-F177 HydrophobicContact CD1-CZ 3.9Å; L131-F177 HydrophobicContact CD1-CZ 3.9Å; T150-F177 HydrophobicContact CG2-CD1 3.53Å; T150-F177 HydrophobicContact CG2-CE1 3.68Å; T150-F177 HydrophobicContact CG2-CG 4.38Å; T150-F177 WeakPolarHBondContact O-CA 3.4Å; S154-F177 VanDerWaalsContact CB-CE1 3.41Å; S154-F177 VanDerWaalsContact OG-CE1 3.32Å; S154-F177 WeakPolarHBondContact OG-CE1 3.48Å; V156-F177 HydrophobicContact CG2-CE2 3.9Å; V156-F177 HydrophobicContact CG2-CZ 3.92Å; T173-F177 VanDerWaalsContact O-CD2 3.31Å; T173-F177 WeakPolarHBondContact O-CD2 3.49Å; T173-F177 VanDerWaalsContact O-CE2 3.23Å; T173-F177 WeakPolarHBondContact O-CE2 3.49Å; F177-S179 VanDerWaalsContact C-N 3.32Å; F177-S179 WeakPolarHBondContact CB-O 3.48Å; F177-P181 HydrophobicContact CD1-CB 4.3Å; F177-P181 HydrophobicContact CD2-CB 4.23Å; F177-P181 HydrophobicContact CD2-CG 3.61Å; F177-P181 HydrophobicContact CE1-CB 4.47Å; F177-P181 HydrophobicContact CE2-CB 4.37Å; F177-P181 HydrophobicContact CE2-CG 3.88Å; F177-P181 HydrophobicContact CG-CB 4.2Å; F177-P181 HydrophobicContact CG-CG 3.97Å; F177-P181 HydrophobicContact CZ-CB 4.49Å; F177-P181 HydrophobicContact CZ-CG 4.47Å |
| 178 | V | 97.9 | Very high | 97.4 | Very high | 98 Ų | 98 | 54.7 Ų | 54.7 | 59% | 0.594 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -65.8 | -39.4 | 174.1 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | K149 T150 | K149-V178 HydrophobicContact CB-CG2 3.9Å; T150-V178 PolarHBondContact O-N 2.88Å |
| 179 | S | 95.3 | Very high | 97.3 | Very high | 81 Ų | 81 | 50 Ų | 50 | 57% | 0.566 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -122.1 | 150.6 | 172.6 | 66.8 | 0 | 0 | 0 | 0 | 110 | F177 | F177-S179 VanDerWaalsContact C-N 3.32Å; F177-S179 WeakPolarHBondContact CB-O 3.48Å |
| 180 | K | 94.5 | Very high | 97.3 | Very high | 187 Ų | 187 | 51.9 Ų | 51.9 | 81% | 0.813 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 123.4 | -175.5 | -173.6 | 176.9 | -179.3 | 176.3 | 0 | 110.4 | ||
| 181 | P | 96.4 | Very high | 97.2 | Very high | 14 Ų | 14 | 56.6 Ų | 56.6 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 165.7 | 178.4 | 32.7 | -37.7 | 0 | 0 | 0 | 110.9 | S154 V156 L174 F177 V183 | S154-P181 WeakPolarHBondContact O-CB 3.45Å; V156-P181 HydrophobicContact CG2-CB 4.2Å; V156-P181 HydrophobicContact CG2-CG 4.01Å; L174-P181 HydrophobicContact CD2-CG 3.65Å; F177-P181 HydrophobicContact CD1-CB 4.3Å; F177-P181 HydrophobicContact CD2-CB 4.23Å; F177-P181 HydrophobicContact CD2-CG 3.61Å; F177-P181 HydrophobicContact CE1-CB 4.47Å; F177-P181 HydrophobicContact CE2-CB 4.37Å; F177-P181 HydrophobicContact CE2-CG 3.88Å; F177-P181 HydrophobicContact CG-CB 4.2Å; F177-P181 HydrophobicContact CG-CG 3.97Å; F177-P181 HydrophobicContact CZ-CB 4.49Å; F177-P181 HydrophobicContact CZ-CG 4.47Å; P181-V183 HydrophobicContact CG-CG2 4.44Å |
| 182 | K | 95.7 | Very high | 97.1 | Very high | 74 Ų | 74 | 54.7 Ų | 54.7 | 32% | 0.322 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 138.5 | 165.1 | -70.7 | -175.9 | -179.9 | 177.8 | 0 | 108.1 | S154 L155 V156 D204 I205 | S154-K182 PolarHBondContact O-N 3.4Å; L155-K182 WeakPolarHBondContact CA-O 3.34Å; L155-K182 HydrophobicContact CD1-CB 3.96Å; V156-K182 PolarHBondContact N-O 3.3Å; K182-D204 IonicContact NZ-OD2 2.77Å; K182-D204 PolarHBondContact NZ-OD2 3.47Å; K182-I205 HydrophobicContact CD-CB 4.42Å |
| 183 | V | 97 | Very high | 97.1 | Very high | 50 Ų | 50 | 51.5 Ų | 51.5 | 30% | 0.303 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 132.7 | -178.9 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | V156 Y158 L174 P181 V185 | V156-V183 HydrophobicContact CB-CG2 4.49Å; V156-V183 CarbonylContact O-C 3.51Å; V156-V183 VanDerWaalsContact O-CA 3.3Å; V156-V183 WeakPolarHBondContact O-CA 3.25Å; Y158-V183 HydrophobicContact CE1-CG1 3.61Å; L174-V183 HydrophobicContact CD1-CG2 4.46Å; L174-V183 HydrophobicContact CD2-CG2 3.7Å; P181-V183 HydrophobicContact CG-CG2 4.44Å; V183-V185 HydrophobicContact CG1-CG2 3.83Å |
| 184 | L | 97 | Very high | 96.9 | Very high | 13 Ų | 13 | 54.3 Ų | 54.3 | 7% | 0.068 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 116 | 169.7 | 168.3 | 65.8 | 0 | 0 | 0 | 108.7 | L155 V156 I157 Y158 P193 A198 I201 Y202 | L155-L184 HydrophobicContact CD1-CB 4.17Å; V156-L184 PolarHBondContact O-N 2.77Å; I157-L184 VanDerWaalsContact CA-O 3.26Å; I157-L184 WeakPolarHBondContact CA-O 3.41Å; I157-L184 HydrophobicContact CG1-CB 4.23Å; I157-L184 HydrophobicContact CG1-CD2 4.38Å; I157-L184 HydrophobicContact CG2-CB 4.43Å; I157-L184 HydrophobicContact CG2-CD2 4.07Å; I157-L184 HydrophobicContact CG2-CG 4.25Å; Y158-L184 PolarHBondContact N-O 3.01Å; L184-P193 HydrophobicContact CD2-CG 4.08Å; L184-A198 HydrophobicContact CD2-CB 3.73Å; L184-I201 HydrophobicContact CB-CD1 4.23Å; L184-I201 HydrophobicContact CD1-CD1 3.42Å; L184-I201 VanDerWaalsContact CD1-CD1 3.42Å; L184-I201 HydrophobicContact CD2-CD1 4.4Å; L184-I201 HydrophobicContact CG-CD1 4.2Å; L184-Y202 HydrophobicContact CD2-CE1 3.83Å |
| 185 | V | 97.5 | Very high | 96.6 | Very high | 49 Ų | 49 | 56 Ų | 56 | 30% | 0.297 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 133.9 | 173.8 | -164.3 | 0 | 0 | 0 | 0 | 108.5 | Y158 E160 V183 | Y158-V185 HydrophobicContact CD2-CG1 3.84Å; Y158-V185 HydrophobicContact CD2-CG2 4.22Å; Y158-V185 HydrophobicContact CE1-CG2 4.29Å; Y158-V185 HydrophobicContact CE2-CB 4.13Å; Y158-V185 HydrophobicContact CE2-CG1 3.6Å; Y158-V185 HydrophobicContact CE2-CG2 3.45Å; Y158-V185 VanDerWaalsContact CE2-CG2 3.45Å; Y158-V185 VanDerWaalsContact CZ-CG2 3.5Å; Y158-V185 WeakPolarHBondContact O-CA 3.37Å; Y158-V185 WeakPolarHBondContact OH-CG2 3.33Å; E160-V185 HydrophobicContact CG-CG1 3.84Å; E160-V185 WeakPolarHBondContact OE1-CG1 3.47Å; V183-V185 HydrophobicContact CG1-CG2 3.83Å |
| 186 | H | 97.4 | Very high | 96.3 | Very high | 7 Ų | 7 | 53.1 Ų | 53.1 | 3% | 0.032 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 155.8 | 175.6 | 65.4 | 95.1 | 0 | 0 | 0 | 110.8 | Y158 G159 E160 G188 G189 Y191 P193 | Y158-H186 PolarHBondContact O-CD2 2.57Å; Y158-H186 PolarHBondContact O-N 2.79Å; G159-H186 CarbonylContact C-O 3.59Å; G159-H186 VanDerWaalsContact CA-O 3.32Å; G159-H186 WeakPolarHBondContact CA-O 3.47Å; G159-H186 PolarHBondContact N-NE2 3.34Å; E160-H186 WeakPolarHBondContact CG-O 3.34Å; E160-H186 PolarHBondContact N-O 3.42Å; H186-G188 PolarHBondContact ND1-N 2.78Å; H186-G188 PolarHBondContact O-N 2.67Å; H186-G188 VanDerWaalsContact O-N 3.09Å; H186-G189 PolarHBondContact CE1-O 3.33Å; H186-G189 VanDerWaalsContact CE1-O 3.25Å; H186-Y191 AromaticContact CE1-CE1 3.91Å; H186-Y191 AromaticContact CE1-CZ 3.78Å; H186-Y191 AromaticContact ND1-CZ 3.58Å; H186-Y191 PolarHBondContact ND1-OH 3.31Å; H186-P193 HydrophobicContact CB-CB 4.2Å; H186-P193 HydrophobicContact CB-CG 4.3Å |
| 187 | D | 96 | Very high | 95.9 | Very high | 127 Ų | 127 | 57.1 Ų | 57.1 | 68% | 0.679 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -70.9 | -2.4 | -175.5 | 59.5 | -3.3 | 0 | 0 | 0 | 115.2 | T161 | T161-D187 PolarHBondContact OG1-O 3.18Š|
| 188 | G | 95.8 | Very high | 95.7 | Very high | 8 Ų | 8 | 56.6 Ų | 56.6 | 8% | 0.082 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -100.9 | -177.8 | -169 | 0 | 0 | 0 | 0 | 0 | 115.2 | G159 E160 T161 H186 | G159-G188 CarbonylContact C-O 3.57Å; G159-G188 WeakPolarHBondContact CA-O 3.34Å; E160-G188 PolarHBondContact N-O 2.86Å; T161-G188 PolarHBondContact N-O 3.46Å; T161-G188 VanDerWaalsContact N-O 3.11Å; T161-G188 WeakPolarHBondContact OG1-CA 3.28Å; T161-G188 PolarHBondContact OG1-O 3.38Å; H186-G188 PolarHBondContact ND1-N 2.78Å; H186-G188 PolarHBondContact O-N 2.67Å; H186-G188 VanDerWaalsContact O-N 3.09Å |
| 189 | G | 97.1 | Very high | 95.4 | Very high | 19 Ų | 19 | 56 Ų | 56 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -88 | -147 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | T161 H186 Y191 | T161-G189 WeakPolarHBondContact O-CA 3.45Å; T161-G189 PolarHBondContact OG1-N 3.24Å; H186-G189 PolarHBondContact CE1-O 3.33Å; H186-G189 VanDerWaalsContact CE1-O 3.25Å; G189-Y191 WeakPolarHBondContact O-CD1 3.48Å; G189-Y191 PolarHBondContact O-N 3.45Å |
| 190 | H | 98 | Very high | 95.1 | Very high | 53 Ų | 53 | 58.5 Ų | 58.5 | 25% | 0.245 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -75.3 | 73.3 | -171.7 | -159.7 | 61.5 | 0 | 0 | 0 | 114.9 | F97 S98 A133 D162 V164 | F97-H190 AromaticContact CE1-CD2 3.94Å; F97-H190 AromaticContact CE1-NE2 3.54Å; F97-H190 AromaticContact CZ-CD2 3.5Å; F97-H190 VanDerWaalsContact CZ-CD2 3.5Å; F97-H190 WeakPolarHBondContact CZ-CD2 3.15Å; F97-H190 AromaticContact CZ-CE1 3.84Å; F97-H190 AromaticContact CZ-NE2 3.36Å; F97-H190 WeakPolarHBondContact CZ-NE2 3.38Å; S98-H190 VanDerWaalsContact CB-CE1 3.49Å; S98-H190 WeakPolarHBondContact CB-CE1 3.1Å; S98-H190 VanDerWaalsContact CB-NE2 3.29Å; S98-H190 WeakPolarHBondContact CB-NE2 3.37Å; S98-H190 PolarHBondContact OG-CE1 3.1Å; S98-H190 VanDerWaalsContact OG-CE1 3.28Å; S98-H190 PolarHBondContact OG-NE2 3.38Å; A133-H190 VanDerWaalsContact CB-CE1 3.49Å; A133-H190 WeakPolarHBondContact CB-CE1 3.37Å; D162-H190 WeakPolarHBondContact OD1-CB 3.48Å; D162-H190 IonicContact OD1-CG 2.67Å; D162-H190 IonicContact OD1-ND1 3.25Å; D162-H190 PolarHBondContact OD1-ND1 2.85Å; D162-H190 WeakPolarHBondContact OD2-CA 3.46Å; D162-H190 IonicContact OD2-CE1 3.67Å; D162-H190 IonicContact OD2-CG 2.59Å; D162-H190 IonicContact OD2-ND1 3.76Å; D162-H190 PolarHBondContact OD2-ND1 2.97Å; V164-H190 HydrophobicContact CB-CB 4Å; V164-H190 HydrophobicContact CG2-CB 3.81Å |
| 191 | Y | 97.3 | Very high | 95 | Very high | 99 Ų | 99 | 52.1 Ų | 52.1 | 39% | 0.388 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -149.9 | 171.9 | 179.2 | 69.7 | -94.6 | 0 | 0 | 0 | 113 | H186 G189 P193 | H186-Y191 AromaticContact CE1-CE1 3.91Å; H186-Y191 AromaticContact CE1-CZ 3.78Å; H186-Y191 AromaticContact ND1-CZ 3.58Å; H186-Y191 PolarHBondContact ND1-OH 3.31Å; G189-Y191 WeakPolarHBondContact O-CD1 3.48Å; G189-Y191 PolarHBondContact O-N 3.45Å; Y191-P193 HydrophobicContact CE2-CB 4.25Å |
| 192 | I | 97.4 | Very high | 94.8 | Very high | 20 Ų | 20 | 51.5 Ų | 51.5 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | trans | -92.8 | 116.5 | 176.3 | -57.3 | 157 | 0 | 0 | 0 | 109.1 | F19 T23 F26 F95 F97 V132 T194 | F19-I192 HydrophobicContact CE2-CD1 4.16Å; T23-I192 HydrophobicContact CG2-CD1 3.61Å; F26-I192 HydrophobicContact CB-CG2 3.91Å; F26-I192 HydrophobicContact CD2-CG2 3.82Å; F26-I192 HydrophobicContact CG-CG2 4.03Å; F95-I192 HydrophobicContact CE1-CD1 4.47Å; F95-I192 HydrophobicContact CZ-CD1 3.79Å; F95-I192 HydrophobicContact CZ-CG1 4.34Å; F97-I192 HydrophobicContact CD2-CD1 4.29Å; F97-I192 HydrophobicContact CD2-CG1 3.8Å; F97-I192 HydrophobicContact CE2-CG1 4.15Å; V132-I192 HydrophobicContact CB-CG1 4.42Å; V132-I192 HydrophobicContact CG1-CG1 3.97Å; V132-I192 HydrophobicContact CG2-CG1 4.31Å; V132-I192 HydrophobicContact CG2-CG2 4.41Å; I192-T194 PolarHBondContact O-N 3.23Å | ||
| 193 | P | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -67.7 | 134.3 | -176.9 | 21.7 | -26.6 | 0 | 0 | 0 | 112 | I157 L184 H186 Y191 H195 A198 Y202 | I157-P193 HydrophobicContact CG2-CG 3.75Å; L184-P193 HydrophobicContact CD2-CG 4.08Å; H186-P193 HydrophobicContact CB-CB 4.2Å; H186-P193 HydrophobicContact CB-CG 4.3Å; Y191-P193 HydrophobicContact CE2-CB 4.25Å; P193-H195 VanDerWaalsContact CB-CE1 3.42Å; P193-H195 WeakPolarHBondContact CB-CE1 3.41Å; P193-A198 HydrophobicContact CB-CB 3.96Å; P193-A198 HydrophobicContact CG-CB 4.25Å; P193-Y202 VanDerWaalsContact CG-OH 3.31Å; P193-Y202 WeakPolarHBondContact CG-OH 3.46Å; P193-Y202 WeakPolarHBondContact O-CE2 3.14Å; P193-Y202 PolarHBondContact O-OH 3.13Å | ||
| 194 | T | 95.4 | Very high | 94 | Very high | 60 Ų | 60 | 50.7 Ų | 50.7 | 37% | 0.368 | 27% | 0.271 | S | S | . | . | trans | -126.5 | 12.6 | -179.2 | 60.4 | 0 | 0 | 0 | 0 | 113.1 | F26 I192 K199 | F26-T194 HydrophobicContact CB-CG2 4.49Å; I192-T194 PolarHBondContact O-N 3.23Å; T194-K199 WeakPolarHBondContact O-CE 3.27Å; T194-K199 PolarHBondContact O-NZ 2.86Å | ||
| 195 | H | 92.9 | Very high | 93.5 | Very high | 76 Ų | 76 | 50.1 Ų | 50.1 | 35% | 0.352 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -69.7 | 166.6 | 171.5 | 57.7 | -99.1 | 0 | 0 | 0 | 111.3 | P193 D197 A198 K199 | P193-H195 VanDerWaalsContact CB-CE1 3.42Å; P193-H195 WeakPolarHBondContact CB-CE1 3.41Å; H195-D197 VanDerWaalsContact C-N 3.35Å; H195-D197 PolarHBondContact O-N 3.27Å; H195-A198 PolarHBondContact O-N 3.06Å; H195-K199 WeakPolarHBondContact O-CG 3.07Å; H195-K199 PolarHBondContact O-N 3.02Å |
| 196 | A | 90.1 | Very high | 93.1 | Very high | 61 Ų | 61 | 47.8 Ų | 47.8 | 50% | 0.504 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.7 | -39.4 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114 | K199 K200 | A196-K199 WeakPolarHBondContact O-CB 3.4Å; A196-K199 PolarHBondContact O-N 3.48Å; A196-K200 PolarHBondContact O-N 3.23Å |
| 197 | D | 90.5 | Very high | 92.6 | Very high | 92 Ų | 92 | 50 Ų | 50 | 49% | 0.492 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -73.4 | -39.8 | -176.7 | -61.6 | -39.8 | 0 | 0 | 0 | 112.8 | H195 K199 K200 I201 | H195-D197 VanDerWaalsContact C-N 3.35Å; H195-D197 PolarHBondContact O-N 3.27Å; D197-K199 VanDerWaalsContact C-N 3.26Å; D197-K199 PolarHBondContact O-N 3.39Å; D197-K200 PolarHBondContact O-N 3.34Å; D197-K200 VanDerWaalsContact O-N 3.13Å; D197-K200 IonicContact OD1-NZ 2.84Å; D197-K200 PolarHBondContact OD1-NZ 2.81Å; D197-I201 PolarHBondContact O-N 2.7Å |
| 198 | A | 92.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -53.8 | -44.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L184 P193 H195 K200 I201 Y202 | L184-A198 HydrophobicContact CD2-CB 3.73Å; P193-A198 HydrophobicContact CB-CB 3.96Å; P193-A198 HydrophobicContact CG-CB 4.25Å; H195-A198 PolarHBondContact O-N 3.06Å; A198-K200 VanDerWaalsContact C-N 3.31Å; A198-K200 PolarHBondContact O-N 2.88Å; A198-I201 PolarHBondContact O-N 3.23Å; A198-Y202 HydrophobicContact CB-CE1 4.45Å; A198-Y202 HydrophobicContact CB-CE2 4.03Å; A198-Y202 VanDerWaalsContact O-CD1 3.3Å; A198-Y202 WeakPolarHBondContact O-CD1 3.22Å; A198-Y202 WeakPolarHBondContact O-CD2 3.27Å; A198-Y202 PolarHBondContact O-N 2.9Å |
| 199 | K | 91.7 | Very high | 91.6 | Very high | 86 Ų | 86 | 50 Ų | 50 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.9 | -36.9 | 179.3 | -65.3 | 174.9 | 171 | 138.2 | 0 | 113.1 | T194 H195 A196 D197 A203 | T194-K199 WeakPolarHBondContact O-CE 3.27Å; T194-K199 PolarHBondContact O-NZ 2.86Å; H195-K199 WeakPolarHBondContact O-CG 3.07Å; H195-K199 PolarHBondContact O-N 3.02Å; A196-K199 WeakPolarHBondContact O-CB 3.4Å; A196-K199 PolarHBondContact O-N 3.48Å; D197-K199 VanDerWaalsContact C-N 3.26Å; D197-K199 PolarHBondContact O-N 3.39Å; K199-A203 PolarHBondContact O-N 3.02Å; K199-A203 VanDerWaalsContact O-N 3.12Å |
| 200 | K | 90.6 | Very high | 90.9 | Very high | 134 Ų | 134 | 51.6 Ų | 51.6 | 58% | 0.583 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -65.4 | -43.7 | 177.2 | -66.4 | 171 | -170 | 155.6 | 0 | 110.8 | A196 D197 A198 Y202 A203 D204 | A196-K200 PolarHBondContact O-N 3.23Å; D197-K200 PolarHBondContact O-N 3.34Å; D197-K200 VanDerWaalsContact O-N 3.13Å; D197-K200 IonicContact OD1-NZ 2.84Å; D197-K200 PolarHBondContact OD1-NZ 2.81Å; A198-K200 VanDerWaalsContact C-N 3.31Å; A198-K200 PolarHBondContact O-N 2.88Å; K200-Y202 VanDerWaalsContact C-N 3.33Å; K200-Y202 PolarHBondContact O-N 3.23Å; K200-A203 PolarHBondContact O-N 3.44Å; K200-D204 WeakPolarHBondContact O-CB 3.32Å; K200-D204 PolarHBondContact O-N 3.41Å |
| 201 | I | 91 | Very high | 89.4 | Confident | 53 Ų | 53 | 55.7 Ų | 55.7 | 27% | 0.272 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 179.2 | -63.5 | 170 | 0 | 0 | 0 | 111.1 | L155 L184 D197 A198 D204 I205 | L155-I201 HydrophobicContact CD1-CG2 3.9Å; L155-I201 HydrophobicContact CD2-CG2 4.04Å; L184-I201 HydrophobicContact CB-CD1 4.23Å; L184-I201 HydrophobicContact CD1-CD1 3.42Å; L184-I201 VanDerWaalsContact CD1-CD1 3.42Å; L184-I201 HydrophobicContact CD2-CD1 4.4Å; L184-I201 HydrophobicContact CG-CD1 4.2Å; D197-I201 PolarHBondContact O-N 2.7Å; A198-I201 PolarHBondContact O-N 3.23Å; I201-D204 PolarHBondContact O-N 3.31Å; I201-I205 PolarHBondContact O-N 2.91Å; I201-I205 VanDerWaalsContact O-N 3.09Å |
| 202 | Y | 92.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 175.1 | -56 | -23.5 | 0 | 0 | 0 | 112 | F26 L155 I157 L184 P193 A198 K200 D204 I205 V206 | F26-Y202 AromaticContact CD2-CD2 3.73Å; F26-Y202 HydrophobicContact CD2-CD2 3.73Å; F26-Y202 AromaticContact CD2-CE2 3.45Å; F26-Y202 HydrophobicContact CD2-CE2 3.45Å; F26-Y202 VanDerWaalsContact CD2-CE2 3.45Å; F26-Y202 HydrophobicContact CD2-CG 4.42Å; F26-Y202 AromaticContact CD2-CZ 3.91Å; F26-Y202 HydrophobicContact CE2-CD1 4.15Å; F26-Y202 AromaticContact CE2-CD2 3.69Å; F26-Y202 HydrophobicContact CE2-CD2 3.69Å; F26-Y202 HydrophobicContact CE2-CE1 4.16Å; F26-Y202 AromaticContact CE2-CE2 3.71Å; F26-Y202 HydrophobicContact CE2-CE2 3.71Å; F26-Y202 AromaticContact CE2-CG 3.92Å; F26-Y202 HydrophobicContact CE2-CG 3.92Å; F26-Y202 AromaticContact CE2-CZ 3.92Å; L155-Y202 HydrophobicContact CD2-CD1 3.65Å; L155-Y202 HydrophobicContact CD2-CE1 3.99Å; I157-Y202 HydrophobicContact CD1-CD1 4.39Å; I157-Y202 HydrophobicContact CD1-CE1 3.5Å; L184-Y202 HydrophobicContact CD2-CE1 3.83Å; P193-Y202 VanDerWaalsContact CG-OH 3.31Å; P193-Y202 WeakPolarHBondContact CG-OH 3.46Å; P193-Y202 WeakPolarHBondContact O-CE2 3.14Å; P193-Y202 PolarHBondContact O-OH 3.13Å; A198-Y202 HydrophobicContact CB-CE1 4.45Å; A198-Y202 HydrophobicContact CB-CE2 4.03Å; A198-Y202 VanDerWaalsContact O-CD1 3.3Å; A198-Y202 WeakPolarHBondContact O-CD1 3.22Å; A198-Y202 WeakPolarHBondContact O-CD2 3.27Å; A198-Y202 PolarHBondContact O-N 2.9Å; K200-Y202 VanDerWaalsContact C-N 3.33Å; K200-Y202 PolarHBondContact O-N 3.23Å; Y202-D204 VanDerWaalsContact C-N 3.32Å; Y202-D204 PolarHBondContact O-N 3.17Å; Y202-I205 WeakPolarHBondContact O-CG2 3.35Å; Y202-V206 VanDerWaalsContact O-CG2 3.31Å; Y202-V206 WeakPolarHBondContact O-CG2 3.24Å; Y202-V206 PolarHBondContact O-N 2.97Å |
| 203 | A | 88.8 | Confident | 84.6 | Confident | 25 Ų | 25 | 67.2 Ų | 67.2 | 21% | 0.207 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.1 | -41 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F33 K199 K200 V206 S207 | F33-A203 HydrophobicContact CE2-CB 3.86Å; K199-A203 PolarHBondContact O-N 3.02Å; K199-A203 VanDerWaalsContact O-N 3.12Å; K200-A203 PolarHBondContact O-N 3.44Å; A203-V206 PolarHBondContact O-N 2.92Å; A203-S207 WeakPolarHBondContact O-CB 3.08Å; A203-S207 PolarHBondContact O-N 2.89Å; A203-S207 PolarHBondContact O-OG 2.9Å; A203-S207 VanDerWaalsContact O-OG 3.12Å |
| 204 | D | 88 | Confident | 81.9 | Confident | 83 Ų | 83 | 74.6 Ų | 74.6 | 44% | 0.444 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59 | -53 | 178.7 | 179.3 | 59.6 | 0 | 0 | 0 | 112 | K182 K200 I201 Y202 V206 S207 | K182-D204 IonicContact NZ-OD2 2.77Å; K182-D204 PolarHBondContact NZ-OD2 3.47Å; K200-D204 WeakPolarHBondContact O-CB 3.32Å; K200-D204 PolarHBondContact O-N 3.41Å; I201-D204 PolarHBondContact O-N 3.31Å; Y202-D204 VanDerWaalsContact C-N 3.32Å; Y202-D204 PolarHBondContact O-N 3.17Å; D204-V206 VanDerWaalsContact C-N 3.34Å; D204-V206 PolarHBondContact O-N 3.01Å; D204-S207 PolarHBondContact O-N 3.37Å; D204-S207 PolarHBondContact O-OG 3.26Å |
| 205 | I | 86.6 | Confident | 78.9 | Confident | 1 Ų | 1 | 80.1 Ų | 80.1 | 1% | 0.005 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 180 | -168.7 | 167.7 | 0 | 0 | 0 | 112.8 | L155 K182 I201 Y202 Q208 F209 | L155-I205 HydrophobicContact CB-CD1 3.48Å; L155-I205 VanDerWaalsContact CB-CD1 3.48Å; L155-I205 HydrophobicContact CB-CG2 4.46Å; L155-I205 HydrophobicContact CD2-CG2 4.14Å; K182-I205 HydrophobicContact CD-CB 4.42Å; I201-I205 PolarHBondContact O-N 2.91Å; I201-I205 VanDerWaalsContact O-N 3.09Å; Y202-I205 WeakPolarHBondContact O-CG2 3.35Å; I205-Q208 VanDerWaalsContact O-CG 3.26Å; I205-Q208 WeakPolarHBondContact O-CG 3.34Å; I205-F209 HydrophobicContact CG1-CE2 4.36Å; I205-F209 WeakPolarHBondContact O-CD2 3.38Å; I205-F209 VanDerWaalsContact O-CE2 3.25Å; I205-F209 WeakPolarHBondContact O-CE2 3.48Å |
| 206 | V | 88.2 | Confident | 76.2 | Confident | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -74.6 | -38.4 | -178.7 | 174 | 0 | 0 | 0 | 0 | 110.8 | L4 L30 F33 C34 F128 I130 Y202 A203 D204 Q208 F209 | L4-V206 HydrophobicContact CD1-CG1 3.49Å; L4-V206 VanDerWaalsContact CD1-CG1 3.49Å; L30-V206 HydrophobicContact CD1-CG2 4.23Å; L30-V206 HydrophobicContact CD2-CB 4.28Å; L30-V206 HydrophobicContact CD2-CG2 3.93Å; F33-V206 HydrophobicContact CB-CG1 3.62Å; F33-V206 HydrophobicContact CG-CG1 4.44Å; C34-V206 WeakPolarHBondContact SG-CG1 3.42Å; F128-V206 HydrophobicContact CE2-CG2 4.17Å; F128-V206 HydrophobicContact CZ-CG2 4.28Å; I130-V206 HydrophobicContact CD1-CG2 4.48Å; Y202-V206 VanDerWaalsContact O-CG2 3.31Å; Y202-V206 WeakPolarHBondContact O-CG2 3.24Å; Y202-V206 PolarHBondContact O-N 2.97Å; A203-V206 PolarHBondContact O-N 2.92Å; D204-V206 VanDerWaalsContact C-N 3.34Å; D204-V206 PolarHBondContact O-N 3.01Å; V206-Q208 PolarHBondContact O-N 3.19Å; V206-F209 PolarHBondContact O-N 2.91Å; V206-F209 VanDerWaalsContact O-N 3.08Å |
| 207 | S | 87.2 | Confident | 73.9 | Confident | 52 Ų | 52 | 85.8 Ų | 85.8 | 36% | 0.364 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.6 | -26.8 | -174.7 | 69.5 | 0 | 0 | 0 | 0 | 113.9 | A203 D204 F209 I210 | A203-S207 WeakPolarHBondContact O-CB 3.08Å; A203-S207 PolarHBondContact O-N 2.89Å; A203-S207 PolarHBondContact O-OG 2.9Å; A203-S207 VanDerWaalsContact O-OG 3.12Å; D204-S207 PolarHBondContact O-N 3.37Å; D204-S207 PolarHBondContact O-OG 3.26Å; S207-F209 PolarHBondContact O-N 3.16Å; S207-I210 PolarHBondContact O-N 3.35Å |
| 208 | Q | 85.1 | Confident | 71.7 | Confident | 98 Ų | 98 | 90.3 Ų | 90.3 | 46% | 0.458 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -18.3 | 177.7 | 82.7 | -164.4 | 19 | 0 | 0 | 113 | I205 V206 | I205-Q208 VanDerWaalsContact O-CG 3.26Å; I205-Q208 WeakPolarHBondContact O-CG 3.34Å; V206-Q208 PolarHBondContact O-N 3.19Å |
| 209 | F | 85.3 | Confident | 69.5 | Low | 39 Ų | 39 | 99.6 Ų | 99.6 | 17% | 0.171 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -1.5 | 177.3 | -58.9 | -73.3 | 0 | 0 | 0 | 113.5 | L4 K127 F128 P153 I205 V206 S207 E211 | L4-F209 HydrophobicContact CD1-CB 4.16Å; K127-F209 HydrophobicContact CB-CD1 3.78Å; K127-F209 HydrophobicContact CB-CE1 4.05Å; K127-F209 HydrophobicContact CB-CG 4.35Å; K127-F209 VanDerWaalsContact O-CE1 3.26Å; K127-F209 WeakPolarHBondContact O-CE1 3.34Å; K127-F209 VanDerWaalsContact O-CZ 3.3Å; K127-F209 WeakPolarHBondContact O-CZ 3.33Å; F128-F209 HydrophobicContact CB-CD2 3.99Å; F128-F209 HydrophobicContact CB-CE2 3.42Å; F128-F209 VanDerWaalsContact CB-CE2 3.42Å; F128-F209 HydrophobicContact CB-CZ 3.75Å; F128-F209 HydrophobicContact CD1-CB 4.36Å; F128-F209 AromaticContact CD1-CD2 3.49Å; F128-F209 HydrophobicContact CD1-CD2 3.49Å; F128-F209 VanDerWaalsContact CD1-CD2 3.49Å; F128-F209 AromaticContact CD1-CE2 3.87Å; F128-F209 HydrophobicContact CD1-CE2 3.87Å; F128-F209 AromaticContact CD1-CG 3.89Å; F128-F209 HydrophobicContact CD1-CG 3.89Å; F128-F209 HydrophobicContact CE1-CD2 4.21Å; F128-F209 AromaticContact CG-CD2 3.91Å; F128-F209 HydrophobicContact CG-CD2 3.91Å; F128-F209 AromaticContact CG-CE2 3.84Å; F128-F209 HydrophobicContact CG-CE2 3.84Å; P153-F209 HydrophobicContact CB-CZ 3.69Å; P153-F209 HydrophobicContact CG-CE1 4.34Å; P153-F209 HydrophobicContact CG-CZ 3.91Å; I205-F209 HydrophobicContact CG1-CE2 4.36Å; I205-F209 WeakPolarHBondContact O-CD2 3.38Å; I205-F209 VanDerWaalsContact O-CE2 3.25Å; I205-F209 WeakPolarHBondContact O-CE2 3.48Å; V206-F209 PolarHBondContact O-N 2.91Å; V206-F209 VanDerWaalsContact O-N 3.08Å; S207-F209 PolarHBondContact O-N 3.16Å; F209-E211 PolarHBondContact O-N 3.29Å |
| 210 | I | 82.2 | Confident | 67.2 | Low | 52 Ų | 52 | 99.3 Ų | 99.3 | 27% | 0.267 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -81.7 | 101.5 | 168.8 | -56 | 176.1 | 0 | 0 | 0 | 105 | M1 L4 F33 S207 K212 | M1-I210 HydrophobicContact SD-CG2 4.36Å; L4-I210 HydrophobicContact CD1-CG1 3.82Å; L4-I210 HydrophobicContact CG-CG1 4.41Å; F33-I210 HydrophobicContact CB-CD1 4.04Å; F33-I210 HydrophobicContact CD1-CD1 3.29Å; F33-I210 HydrophobicContact CE1-CD1 4.02Å; F33-I210 HydrophobicContact CG-CD1 4.01Å; S207-I210 PolarHBondContact O-N 3.35Å; I210-K212 PolarHBondContact O-N 3.29Å |
| 211 | E | 67.4 | Low | 65.1 | Low | 139 Ų | 139 | 97 Ų | 97 | 65% | 0.65 | 50% | 0.497 | S | S | * | . | trans | -49.9 | 117.2 | 174.5 | -77.2 | 177.1 | -169.4 | 0 | 0 | 109.1 | M1 F209 Q213 | M1-E211 HydrophobicContact CE-CB 3.9Å; M1-E211 VanDerWaalsContact CE-O 3.24Å; M1-E211 WeakPolarHBondContact CE-O 3.21Å; M1-E211 HydrophobicContact SD-CB 4.38Å; F209-E211 PolarHBondContact O-N 3.29Å; E211-Q213 PolarHBondContact O-N 3.13Å | ||
| 212 | K | 51.3 | Low | 62.8 | Low | 192 Ų | 192 | 102.5 Ų | 102.5 | 84% | 0.835 | 52% | 0.521 | S | S | * | . | trans | -69.5 | 113.2 | 158.7 | -70.6 | -178.7 | -178.9 | 176.6 | 0 | 104.4 | I210 I214 | I210-K212 PolarHBondContact O-N 3.29Å; K212-I214 PolarHBondContact O-N 3.31Å | ||
| 213 | Q | 41.4 | Very low | 60.6 | Low | 169 Ų | 169 | 110 Ų | 110 | 79% | 0.79 | 56% | 0.556 | S | S | * | * | trans | -54.6 | 102.7 | 158.5 | -86.3 | -170.7 | -17 | 0 | 0 | 106.4 | E211 Q215 | E211-Q213 PolarHBondContact O-N 3.13Å; Q213-Q215 PolarHBondContact O-N 3.5Å; Q213-Q215 VanDerWaalsContact O-N 3.08Å | ||
| 214 | I | 41.6 | Very low | 58.6 | Low | 154 Ų | 154 | 114.5 Ų | 114.5 | 79% | 0.79 | 58% | 0.583 | S | S | * | * | trans | -63.8 | 108.8 | 161 | -65.9 | 175 | 0 | 0 | 0 | 103.4 | K212 L216 | K212-I214 PolarHBondContact O-N 3.31Å; I214-L216 PolarHBondContact O-N 2.83Å | ||
| 215 | Q | 32.4 | Very low | 56.9 | Low | 176 Ų | 176 | 116.7 Ų | 116.7 | 82% | 0.822 | 60% | 0.599 | S | S | * | * | trans | -55.3 | 111.2 | 168.7 | -67.2 | -168.7 | -12 | 0 | 0 | 107.1 | Q213 P217 | Q213-Q215 PolarHBondContact O-N 3.5Å; Q213-Q215 VanDerWaalsContact O-N 3.08Å; Q215-P217 WeakPolarHBondContact O-CD 3.5Å | ||
| 216 | L | 36.5 | Very low | 55.3 | Low | 156 Ų | 156 | 122 Ų | 122 | 82% | 0.817 | 63% | 0.633 | S | S | * | * | trans | -71.4 | 117.9 | 155.7 | -77.1 | 163.1 | 0 | 0 | 0 | 105.2 | I214 E218 | I214-L216 PolarHBondContact O-N 2.83Å; L216-E218 PolarHBondContact O-N 3.44Å | ||
| 217 | P | 42 | Very low | 53.6 | Low | 100 Ų | 100 | 130.9 Ų | 130.9 | 65% | 0.649 | 68% | 0.675 | S | S | * | * | trans | -61.1 | 125.2 | 166.8 | 2.1 | 7.9 | 0 | 0 | 0 | 107.2 | Q215 F219 | Q215-P217 WeakPolarHBondContact O-CD 3.5Å; P217-F219 PolarHBondContact O-N 3.45Å | ||
| 218 | E | 42.8 | Very low | 51.7 | Low | 187 Ų | 187 | 134.2 Ų | 134.2 | 87% | 0.874 | 69% | 0.693 | S | S | * | * | trans | -55.1 | 101.5 | 166.7 | -72.2 | -179.7 | 170.5 | 0 | 0 | 108.1 | L216 S220 | L216-E218 PolarHBondContact O-N 3.44Å; E218-S220 PolarHBondContact O-N 2.86Å | ||
| 219 | F | 47.6 | Very low | 50.3 | Low | 195 Ų | 195 | 134.6 Ų | 134.6 | 86% | 0.855 | 71% | 0.706 | S | S | * | * | trans | -73.3 | 88.2 | 159.6 | -102.4 | -86.5 | 0 | 0 | 0 | 106.7 | P217 S221 | P217-F219 PolarHBondContact O-N 3.45Å; F219-S221 VanDerWaalsContact C-N 3.26Å; F219-S221 PolarHBondContact O-N 2.61Å | ||
| 220 | S | 42.6 | Very low | 48.3 | Very low | 80 Ų | 80 | 141.5 Ų | 141.5 | 56% | 0.559 | 74% | 0.737 | S | S | * | * | trans | -64.1 | 92.4 | 159.6 | 177.5 | 0 | 0 | 0 | 0 | 107.6 | E218 H222 | E218-S220 PolarHBondContact O-N 2.86Å; S220-H222 PolarHBondContact O-N 3.44Å; S220-H222 PolarHBondContact OG-CD2 3.12Å | ||
| 221 | S | 46.2 | Very low | 46.9 | Very low | 86 Ų | 86 | 144.4 Ų | 144.4 | 60% | 0.601 | 76% | 0.762 | S | S | * | * | trans | -76.8 | 83 | 162 | 59.7 | 0 | 0 | 0 | 0 | 107.7 | F219 H223 | F219-S221 VanDerWaalsContact C-N 3.26Å; F219-S221 PolarHBondContact O-N 2.61Å; S221-H223 VanDerWaalsContact C-N 3.3Å; S221-H223 PolarHBondContact O-N 2.85Å | ||
| 222 | H | 44.1 | Very low | 45.6 | Very low | 169 Ų | 169 | 144.8 Ų | 144.8 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | trans | -59.8 | 99.9 | 155.5 | -84.2 | -65.1 | 0 | 0 | 0 | 107.7 | S220 P224 | S220-H222 PolarHBondContact O-N 3.44Å; S220-H222 PolarHBondContact OG-CD2 3.12Å; H222-P224 WeakPolarHBondContact O-CD 3.42Å | ||
| 223 | H | 45.7 | Very low | 45.7 | Very low | 157 Ų | 157 | 146.6 Ų | 146.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 118.8 | 160.9 | -75.4 | -69.7 | 0 | 0 | 0 | 108 | S221 V225 | S221-H223 VanDerWaalsContact C-N 3.3Å; S221-H223 PolarHBondContact O-N 2.85Å; H223-V225 PolarHBondContact O-N 3.28Å |
| 224 | P | 47.3 | Very low | 45.9 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 122.4 | 166.3 | 12.1 | -0.6 | 0 | 0 | 0 | 108.5 | H222 | H222-P224 WeakPolarHBondContact O-CD 3.42Š|
| 225 | V | 52.2 | Low | 46.1 | Very low | 129 Ų | 129 | 145 Ų | 145 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 130.9 | 168.4 | -175.4 | 0 | 0 | 0 | 0 | 107.6 | H223 E227 | H223-V225 PolarHBondContact O-N 3.28Å; V225-E227 PolarHBondContact O-N 3.16Å |
| 226 | P | 51.8 | Low | 46.9 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 122.1 | 173.9 | -6.6 | 20.6 | 0 | 0 | 0 | 109.6 | T228 | P226-T228 PolarHBondContact O-N 3.04Š|
| 227 | E | 52.8 | Low | 47.5 | Very low | 188 Ų | 188 | 142.5 Ų | 142.5 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | -64.7 | 114.3 | 169.9 | -73.5 | -179.9 | 163.9 | 0 | 0 | 109.5 | V225 S229 | V225-E227 PolarHBondContact O-N 3.16Å; E227-S229 PolarHBondContact O-N 2.96Å; E227-S229 VanDerWaalsContact O-N 3.16Å | ||
| 228 | T | 48.1 | Very low | 47.8 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | trans | -73.5 | 96.6 | 165.5 | 48.7 | 0 | 0 | 0 | 0 | 108.6 | P226 F230 | P226-T228 PolarHBondContact O-N 3.04Å; T228-F230 PolarHBondContact O-N 3.33Å | ||
| 229 | S | 54.7 | Low | 48.2 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | -81.5 | 100.4 | 164.9 | 60.7 | 0 | 0 | 0 | 0 | 109.1 | E227 | E227-S229 PolarHBondContact O-N 2.96Å; E227-S229 VanDerWaalsContact O-N 3.16Å | ||
| 230 | F | 43.9 | Very low | 48.2 | Very low | 184 Ų | 184 | 138.6 Ų | 138.6 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | trans | -64.3 | 128.8 | 155.5 | -83 | -98 | 0 | 0 | 0 | 108.2 | T228 | T228-F230 PolarHBondContact O-N 3.33Š| ||
| 231 | S | 52.1 | Low | 48.6 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -127.6 | 113.9 | 160.8 | -60.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 232 | I | 40.1 | Very low | 48.8 | Very low | 147 Ų | 147 | 147.9 Ų | 147.9 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | trans | -82.4 | 116 | 172.7 | -63.6 | 168.4 | 0 | 0 | 0 | 105.3 | ||||
| 233 | D | 53.3 | Low | 49.3 | Very low | 229 Ų | 229 | 146 Ų | 146 | 100% | 1.225 | 81% | 0.814 | S | S | * | * | trans | 178.8 | 0 | 134.4 | -84.7 | -19.7 | 0 | 0 | 0 | 109.6 |
Retrieved 233 of 233 residues in 243.4 ms
(Link to these results)