| 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 | 90.7 | Very high | 97 | Very high | 145 Ų | 145 | 74 Ų | 74 | 71% | 0.714 | 37% | 0.372 | S | S | * | . | 0 | 138.4 | 0 | 178.9 | -175.1 | 84.6 | 0 | 0 | 107.7 | L296 R297 I298 | M1-L296 HydrophobicContact CG-CD1 3.65Å; M1-L296 HydrophobicContact SD-CD1 3.91Å; M1-R297 CarbonylContact C-O 3.59Å; M1-R297 VanDerWaalsContact CA-O 3.24Å; M1-R297 WeakPolarHBondContact CA-O 3.48Å; M1-I298 HydrophobicContact CG-CG1 4.08Å | |||
| 2 | S | 95.4 | Very high | 97.1 | Very high | 50 Ų | 50 | 77.5 Ų | 77.5 | 35% | 0.35 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 138.1 | 178.4 | -58.1 | 0 | 0 | 0 | 0 | 109.6 | Y4 R297 | S2-Y4 WeakPolarHBondContact CB-OH 3.35Å; S2-R297 PolarHBondContact N-O 3.49Å; S2-R297 PolarHBondContact O-N 3.18Å |
| 3 | L | 96.5 | Very high | 97.2 | Very high | 106 Ų | 106 | 77 Ų | 77 | 56% | 0.555 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129.1 | 175.6 | -172 | 71.4 | 0 | 0 | 0 | 108.7 | H294 L295 L296 | L3-H294 HydrophobicContact CD1-CB 3.92Å; L3-H294 HydrophobicContact CG-CB 4.49Å; L3-L295 WeakPolarHBondContact CA-O 3.15Å; L3-L296 HydrophobicContact CD1-CB 4.09Å; L3-L296 HydrophobicContact CD1-CD1 4.17Å |
| 4 | Y | 97.3 | Very high | 97.3 | Very high | 52 Ų | 52 | 71.5 Ų | 71.5 | 20% | 0.204 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 143 | -178.7 | -59.6 | -87.2 | 0 | 0 | 0 | 109.9 | S2 H252 L254 H294 L295 R297 | S2-Y4 WeakPolarHBondContact CB-OH 3.35Å; Y4-H252 AromaticContact CD1-CD2 3.47Å; Y4-H252 VanDerWaalsContact CD1-CD2 3.47Å; Y4-H252 WeakPolarHBondContact CD1-CD2 3.44Å; Y4-H252 AromaticContact CD1-NE2 3.83Å; Y4-H252 AromaticContact CE1-CD2 3.93Å; Y4-L254 HydrophobicContact CD2-CD1 3.74Å; Y4-L254 HydrophobicContact CD2-CD2 4.48Å; Y4-L254 HydrophobicContact CE1-CD2 4.27Å; Y4-L254 HydrophobicContact CE2-CD1 3.71Å; Y4-L254 HydrophobicContact CE2-CD2 3.62Å; Y4-L254 HydrophobicContact CE2-CG 4.33Å; Y4-L254 HydrophobicContact CG-CD1 4.23Å; Y4-L254 WeakPolarHBondContact OH-CD2 3.31Å; Y4-H294 CarbonylContact O-C 3.52Å; Y4-H294 VanDerWaalsContact O-CA 3.28Å; Y4-H294 WeakPolarHBondContact O-CA 3.37Å; Y4-L295 HydrophobicContact CD2-CD2 3.95Å; Y4-L295 PolarHBondContact N-O 2.87Å; Y4-L295 PolarHBondContact O-N 2.92Å; Y4-R297 HydrophobicContact CE2-CB 4.01Å |
| 5 | K | 97.8 | Very high | 97.4 | Very high | 151 Ų | 151 | 67.1 Ų | 67.1 | 66% | 0.657 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 127 | 174.3 | -175.5 | 172.4 | -177.5 | 174.8 | 0 | 109.8 | N193 | K5-N193 PolarHBondContact O-ND2 3.49Å |
| 6 | L | 98.4 | Very high | 97.5 | Very high | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -89.5 | 159.8 | 170.6 | -63.8 | -179.3 | 0 | 0 | 0 | 110.6 | I57 A194 A292 E293 H294 L295 | L6-I57 HydrophobicContact CD1-CD1 4.31Å; L6-A194 WeakPolarHBondContact CB-O 3.44Å; L6-A194 HydrophobicContact CD2-CB 4.15Å; L6-A292 HydrophobicContact CD1-CB 3.82Å; L6-E293 PolarHBondContact N-O 3.1Å; L6-H294 WeakPolarHBondContact CD1-O 3.45Å; L6-L295 HydrophobicContact CD1-CB 4.17Å; L6-L295 HydrophobicContact CD2-CB 3.97Å; L6-L295 HydrophobicContact CG-CB 4.07Å |
| 7 | H | 98.3 | Very high | 97.5 | Very high | 72 Ų | 72 | 64.4 Ų | 64.4 | 33% | 0.333 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 127.3 | 167.2 | -176.4 | 55.7 | 0 | 0 | 0 | 108.4 | P9 N193 A194 V195 | H7-P9 VanDerWaalsContact O-CD 3.26Å; H7-P9 WeakPolarHBondContact O-CD 3.36Å; H7-N193 HydrophobicContact CB-CB 4.05Å; H7-A194 PolarHBondContact N-O 2.94Å; H7-V195 HydrophobicContact CB-CG2 4.06Å |
| 8 | K | 97.8 | Very high | 97.6 | Very high | 113 Ų | 113 | 60.8 Ų | 60.8 | 49% | 0.491 | 32% | 0.317 | S | S | . | . | trans | -112.1 | 88.2 | 176.9 | -166 | -161.6 | -164.6 | 172.9 | 0 | 110 | I291 E293 | K8-I291 HydrophobicContact CB-CG2 4.48Å; K8-I291 HydrophobicContact CG-CB 4.34Å; K8-I291 HydrophobicContact CG-CG2 3.84Å; K8-E293 HydrophobicContact CB-CG 4.47Å; K8-E293 HydrophobicContact CD-CG 3.6Å; K8-E293 WeakPolarHBondContact CE-OE1 3.19Å; K8-E293 HydrophobicContact CG-CG 4.24Å; K8-E293 IonicContact NZ-OE1 2.58Å; K8-E293 PolarHBondContact NZ-OE1 3.04Å | ||
| 9 | P | 98.2 | Very high | 97.7 | Very high | 10 Ų | 10 | 59.6 Ų | 59.6 | 7% | 0.065 | 31% | 0.31 | C | S | . | . | trans | -66 | 171.3 | 169.2 | -8.3 | 20.4 | 0 | 0 | 0 | 111.3 | H7 E13 V14 Y188 V195 I291 | H7-P9 VanDerWaalsContact O-CD 3.26Å; H7-P9 WeakPolarHBondContact O-CD 3.36Å; P9-E13 HydrophobicContact CB-CB 4.37Å; P9-V14 HydrophobicContact CB-CG2 3.89Å; P9-V14 HydrophobicContact CG-CG2 3.86Å; P9-Y188 HydrophobicContact CB-CE1 4.34Å; P9-Y188 HydrophobicContact CG-CD1 4.44Å; P9-Y188 HydrophobicContact CG-CE1 3.67Å; P9-Y188 HydrophobicContact CG-CE2 4.38Å; P9-V195 HydrophobicContact CG-CG1 4.24Å; P9-V195 HydrophobicContact CG-CG2 3.68Å; P9-I291 WeakPolarHBondContact O-CD1 3.45Å | ||
| 10 | S | 98.2 | Very high | 97.7 | Very high | 67 Ų | 67 | 58.7 Ų | 58.7 | 47% | 0.469 | 32% | 0.316 | S | S | . | . | trans | -66.8 | 150.3 | 170.2 | 73.2 | 0 | 0 | 0 | 0 | 111.1 | L12 E13 V14 | S10-L12 PolarHBondContact O-N 3.21Å; S10-E13 PolarHBondContact O-N 2.76Å; S10-E13 VanDerWaalsContact O-N 3.12Å; S10-E13 WeakPolarHBondContact OG-CB 3.32Å; S10-E13 PolarHBondContact OG-N 3.26Å; S10-E13 VanDerWaalsContact OG-N 3.16Å; S10-V14 PolarHBondContact O-N 3.28Å | ||
| 11 | L | 98.3 | Very high | 97.7 | Very high | 44 Ų | 44 | 57.6 Ų | 57.6 | 23% | 0.23 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -54.9 | -41.3 | 175 | -64.7 | 172.9 | 0 | 0 | 0 | 111.3 | E13 V14 S15 I33 P161 I163 I291 | L11-E13 VanDerWaalsContact C-N 3.33Å; L11-E13 PolarHBondContact O-N 3.39Å; L11-V14 PolarHBondContact O-N 2.98Å; L11-S15 WeakPolarHBondContact O-CB 3.47Å; L11-S15 PolarHBondContact O-N 3.42Å; L11-I33 HydrophobicContact CB-CD1 3.54Å; L11-I33 HydrophobicContact CB-CG1 4.09Å; L11-I33 HydrophobicContact CD1-CG2 4.09Å; L11-P161 HydrophobicContact CD1-CB 3.93Å; L11-P161 HydrophobicContact CD1-CG 4.2Å; L11-I163 HydrophobicContact CB-CG1 4.32Å; L11-I163 HydrophobicContact CD2-CD1 4.27Å; L11-I163 HydrophobicContact CD2-CG1 3.97Å; L11-I291 HydrophobicContact CD2-CD1 3.76Å; L11-I291 HydrophobicContact CD2-CG1 3.99Å; L11-I291 HydrophobicContact CG-CD1 4.49Å |
| 12 | L | 98.4 | Very high | 98.1 | Very high | 116 Ų | 116 | 50.7 Ų | 50.7 | 61% | 0.607 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61 | -40.7 | 179.4 | -179.6 | 62.5 | 0 | 0 | 0 | 112.3 | S10 S16 | S10-L12 PolarHBondContact O-N 3.21Å; L12-S16 WeakPolarHBondContact O-CB 3.42Å; L12-S16 PolarHBondContact O-N 3.05Å; L12-S16 PolarHBondContact O-OG 2.76Å |
| 13 | E | 98.6 | Very high | 98.2 | Very high | 71 Ų | 71 | 53.5 Ų | 53.5 | 33% | 0.332 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.4 | -48.2 | 179.2 | -169.8 | -167.1 | 134.2 | 0 | 0 | 111.5 | P9 S10 L11 S16 A17 K187 Y188 | P9-E13 HydrophobicContact CB-CB 4.37Å; S10-E13 PolarHBondContact O-N 2.76Å; S10-E13 VanDerWaalsContact O-N 3.12Å; S10-E13 WeakPolarHBondContact OG-CB 3.32Å; S10-E13 PolarHBondContact OG-N 3.26Å; S10-E13 VanDerWaalsContact OG-N 3.16Å; L11-E13 VanDerWaalsContact C-N 3.33Å; L11-E13 PolarHBondContact O-N 3.39Å; E13-S16 PolarHBondContact O-N 3.29Å; E13-A17 PolarHBondContact O-N 2.84Å; E13-K187 WeakPolarHBondContact OE1-CE 3.36Å; E13-Y188 WeakPolarHBondContact OE1-CE1 3.3Å; E13-Y188 PolarHBondContact OE1-OH 2.8Å |
| 14 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 178.2 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | P9 S10 L11 S16 A17 I18 I163 L184 Y188 V195 L197 I291 | P9-V14 HydrophobicContact CB-CG2 3.89Å; P9-V14 HydrophobicContact CG-CG2 3.86Å; S10-V14 PolarHBondContact O-N 3.28Å; L11-V14 PolarHBondContact O-N 2.98Å; V14-S16 VanDerWaalsContact C-N 3.31Å; V14-S16 PolarHBondContact O-N 2.96Å; V14-A17 PolarHBondContact O-N 3.47Å; V14-I18 HydrophobicContact CG1-CD1 3.76Å; V14-I18 HydrophobicContact CG1-CG1 4.33Å; V14-I18 WeakPolarHBondContact O-CG1 3.37Å; V14-I18 PolarHBondContact O-N 3.36Å; V14-I163 HydrophobicContact CB-CD1 3.77Å; V14-I163 HydrophobicContact CG1-CD1 3.59Å; V14-L184 HydrophobicContact CG1-CD2 4.02Å; V14-Y188 HydrophobicContact CG2-CE2 4.3Å; V14-V195 HydrophobicContact CG2-CG1 4.47Å; V14-L197 HydrophobicContact CG1-CD1 4.26Å; V14-L197 HydrophobicContact CG1-CD2 4.15Å; V14-I291 HydrophobicContact CB-CD1 4.23Å; V14-I291 HydrophobicContact CG2-CD1 3.58Å; V14-I291 HydrophobicContact CG2-CG1 4.33Å |
| 15 | S | 98.5 | Very high | 98.2 | Very high | 5 Ų | 5 | 51.7 Ų | 51.7 | 4% | 0.035 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57 | -44.2 | 176.1 | 177.6 | 0 | 0 | 0 | 0 | 111.7 | L11 I18 E19 C31 S32 | L11-S15 WeakPolarHBondContact O-CB 3.47Å; L11-S15 PolarHBondContact O-N 3.42Å; S15-I18 PolarHBondContact O-N 3.12Å; S15-E19 WeakPolarHBondContact O-CB 3.38Å; S15-E19 PolarHBondContact O-N 2.8Å; S15-C31 WeakPolarHBondContact O-CB 3.21Å; S15-C31 VanDerWaalsContact OG-C 3.31Å; S15-C31 WeakPolarHBondContact OG-CB 3.5Å; S15-C31 PolarHBondContact OG-O 3.17Å; S15-C31 PolarHBondContact OG-SG 3.16Å; S15-S32 PolarHBondContact OG-N 3.07Å |
| 16 | S | 98.6 | Very high | 98.2 | Very high | 68 Ų | 68 | 44.6 Ų | 44.6 | 48% | 0.476 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.1 | -39.9 | 177.3 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | L12 E13 V14 G20 | L12-S16 WeakPolarHBondContact O-CB 3.42Å; L12-S16 PolarHBondContact O-N 3.05Å; L12-S16 PolarHBondContact O-OG 2.76Å; E13-S16 PolarHBondContact O-N 3.29Å; V14-S16 VanDerWaalsContact C-N 3.31Å; V14-S16 PolarHBondContact O-N 2.96Å; S16-G20 PolarHBondContact O-N 2.84Å |
| 17 | A | 98.5 | Very high | 98.1 | Very high | 21 Ų | 21 | 51.6 Ų | 51.6 | 17% | 0.174 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.3 | -45 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E13 V14 H21 K187 | E13-A17 PolarHBondContact O-N 2.84Å; V14-A17 PolarHBondContact O-N 3.47Å; A17-H21 WeakPolarHBondContact O-CB 3.26Å; A17-H21 PolarHBondContact O-N 2.83Å; A17-H21 VanDerWaalsContact O-N 3.11Å; A17-K187 HydrophobicContact CB-CB 3.98Å; A17-K187 HydrophobicContact CB-CD 4.35Å; A17-K187 HydrophobicContact CB-CG 3.84Å |
| 18 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62 | -50.6 | 176.4 | -70.9 | 173.7 | 0 | 0 | 0 | 110.7 | V14 S15 G20 H21 L22 L165 A183 L197 | V14-I18 HydrophobicContact CG1-CD1 3.76Å; V14-I18 HydrophobicContact CG1-CG1 4.33Å; V14-I18 WeakPolarHBondContact O-CG1 3.37Å; V14-I18 PolarHBondContact O-N 3.36Å; S15-I18 PolarHBondContact O-N 3.12Å; I18-G20 VanDerWaalsContact C-N 3.35Å; I18-G20 PolarHBondContact O-N 3.39Å; I18-H21 PolarHBondContact O-N 2.81Å; I18-L22 HydrophobicContact CG2-CD1 3.49Å; I18-L22 VanDerWaalsContact CG2-CD1 3.49Å; I18-L22 HydrophobicContact CG2-CG 4.41Å; I18-L22 WeakPolarHBondContact O-CB 3.34Å; I18-L22 WeakPolarHBondContact O-CG 3.36Å; I18-L22 PolarHBondContact O-N 3.08Å; I18-L165 HydrophobicContact CG2-CD1 3.94Å; I18-L165 HydrophobicContact CG2-CD2 3.87Å; I18-L165 HydrophobicContact CG2-CG 4.46Å; I18-A183 HydrophobicContact CG1-CB 4.27Å; I18-L197 HydrophobicContact CD1-CD1 3.83Å |
| 19 | E | 98.7 | Very high | 98.2 | Very high | 38 Ų | 38 | 47.6 Ų | 47.6 | 18% | 0.178 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.4 | -45.6 | -179.8 | -162.3 | -174.2 | -117.4 | 0 | 0 | 111.6 | S15 H21 L22 K23 V29 K30 C31 | S15-E19 WeakPolarHBondContact O-CB 3.38Å; S15-E19 PolarHBondContact O-N 2.8Å; E19-H21 VanDerWaalsContact C-N 3.33Å; E19-H21 PolarHBondContact O-N 3.49Å; E19-L22 PolarHBondContact O-N 2.78Å; E19-K23 WeakPolarHBondContact O-CG 3.5Å; E19-K23 PolarHBondContact O-N 3.33Å; E19-K23 IonicContact OE2-NZ 2.81Å; E19-K23 PolarHBondContact OE2-NZ 3.43Å; E19-V29 HydrophobicContact CB-CG1 4.5Å; E19-V29 HydrophobicContact CG-CG1 3.82Å; E19-K30 WeakPolarHBondContact OE1-CA 3.42Å; E19-C31 HydrophobicContact CB-CB 3.68Å; E19-C31 HydrophobicContact CG-CB 4.14Å; E19-C31 PolarHBondContact OE1-N 3.45Å |
| 20 | G | 98.4 | Very high | 98.2 | Very high | 41 Ų | 41 | 52.7 Ų | 52.7 | 42% | 0.423 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S16 I18 | S16-G20 PolarHBondContact O-N 2.84Å; I18-G20 VanDerWaalsContact C-N 3.35Å; I18-G20 PolarHBondContact O-N 3.39Å |
| 21 | H | 98.2 | Very high | 98.2 | Very high | 36 Ų | 36 | 50 Ų | 50 | 17% | 0.167 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.4 | -48.4 | 178.9 | -172.7 | 84.3 | 0 | 0 | 0 | 112.2 | A17 I18 E19 K23 N24 E182 A183 | A17-H21 WeakPolarHBondContact O-CB 3.26Å; A17-H21 PolarHBondContact O-N 2.83Å; A17-H21 VanDerWaalsContact O-N 3.11Å; I18-H21 PolarHBondContact O-N 2.81Å; E19-H21 VanDerWaalsContact C-N 3.33Å; E19-H21 PolarHBondContact O-N 3.49Å; H21-K23 PolarHBondContact O-N 3.11Å; H21-N24 PolarHBondContact O-N 2.97Å; H21-E182 IonicContact NE2-OE2 3.49Å; H21-E182 PolarHBondContact NE2-OE2 3.42Å; H21-A183 HydrophobicContact CB-CB 3.5Å; H21-A183 VanDerWaalsContact CB-CB 3.5Å |
| 22 | L | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.7 | -17.7 | -173.3 | -74 | 170.7 | 0 | 0 | 0 | 113.8 | I18 E19 N24 C25 F26 V29 L165 V167 M179 | I18-L22 HydrophobicContact CG2-CD1 3.49Å; I18-L22 VanDerWaalsContact CG2-CD1 3.49Å; I18-L22 HydrophobicContact CG2-CG 4.41Å; I18-L22 WeakPolarHBondContact O-CB 3.34Å; I18-L22 WeakPolarHBondContact O-CG 3.36Å; I18-L22 PolarHBondContact O-N 3.08Å; E19-L22 PolarHBondContact O-N 2.78Å; L22-N24 PolarHBondContact O-N 3.49Å; L22-N24 VanDerWaalsContact O-N 3.12Å; L22-C25 HydrophobicContact CD2-CB 4.17Å; L22-C25 WeakPolarHBondContact O-CA 3.4Å; L22-C25 WeakPolarHBondContact O-CB 3.47Å; L22-C25 PolarHBondContact O-N 2.91Å; L22-F26 HydrophobicContact CD2-CD2 4.18Å; L22-F26 HydrophobicContact CD2-CE2 3.98Å; L22-F26 PolarHBondContact O-N 2.97Å; L22-V29 HydrophobicContact CB-CG1 3.79Å; L22-V29 HydrophobicContact CB-CG2 4.07Å; L22-V29 WeakPolarHBondContact O-CG2 3.34Å; L22-L165 HydrophobicContact CD1-CD1 3.76Å; L22-L165 HydrophobicContact CD1-CD2 3.55Å; L22-L165 HydrophobicContact CD1-CG 4.25Å; L22-V167 HydrophobicContact CD1-CG1 4.27Å; L22-M179 HydrophobicContact CD2-CB 3.6Å; L22-M179 HydrophobicContact CD2-CG 4.47Å; L22-M179 HydrophobicContact CD2-SD 4.44Å |
| 23 | K | 98.1 | Very high | 98.2 | Very high | 109 Ų | 109 | 47.2 Ų | 47.2 | 47% | 0.474 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -20.9 | 172.3 | -83.3 | 168.5 | 179.2 | 155.3 | 0 | 113.5 | E19 H21 V29 | E19-K23 WeakPolarHBondContact O-CG 3.5Å; E19-K23 PolarHBondContact O-N 3.33Å; E19-K23 IonicContact OE2-NZ 2.81Å; E19-K23 PolarHBondContact OE2-NZ 3.43Å; H21-K23 PolarHBondContact O-N 3.11Å; K23-V29 HydrophobicContact CG-CB 4.15Å; K23-V29 HydrophobicContact CG-CG2 4.44Å |
| 24 | N | 97.2 | Very high | 98.2 | Very high | 119 Ų | 119 | 46.1 Ų | 46.1 | 64% | 0.636 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -2.9 | 172.7 | -61.6 | -43.6 | 0 | 0 | 0 | 113.3 | H21 L22 | H21-N24 PolarHBondContact O-N 2.97Å; L22-N24 PolarHBondContact O-N 3.49Å; L22-N24 VanDerWaalsContact O-N 3.12Å |
| 25 | C | 96.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -27.2 | -174.7 | -54.5 | 0 | 0 | 0 | 0 | 112.9 | L22 I171 R172 M179 | L22-C25 HydrophobicContact CD2-CB 4.17Å; L22-C25 WeakPolarHBondContact O-CA 3.4Å; L22-C25 WeakPolarHBondContact O-CB 3.47Å; L22-C25 PolarHBondContact O-N 2.91Å; C25-I171 WeakPolarHBondContact O-CG1 3.3Å; C25-I171 PolarHBondContact O-N 2.88Å; C25-R172 HydrophobicContact CB-CB 4.37Å; C25-R172 PolarHBondContact O-N 3.24Å; C25-R172 PolarHBondContact SG-NH1 3.09Å; C25-R172 VanDerWaalsContact SG-NH1 3.37Å; C25-M179 HydrophobicContact CB-CE 4.18Å; C25-M179 HydrophobicContact CB-CG 4.49Å; C25-M179 HydrophobicContact CB-SD 3.72Å |
| 26 | F | 97.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.009 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 150.5 | -177.4 | -64.7 | -92.6 | 0 | 0 | 0 | 111.7 | L22 V29 V167 G169 R170 F176 M179 V283 Y285 | L22-F26 HydrophobicContact CD2-CD2 4.18Å; L22-F26 HydrophobicContact CD2-CE2 3.98Å; L22-F26 PolarHBondContact O-N 2.97Å; F26-V29 HydrophobicContact CB-CG2 3.73Å; F26-V167 HydrophobicContact CB-CB 4.14Å; F26-V167 HydrophobicContact CD1-CB 3.96Å; F26-V167 HydrophobicContact CD1-CG2 3.86Å; F26-V167 HydrophobicContact CD2-CB 3.95Å; F26-V167 HydrophobicContact CD2-CG1 4.23Å; F26-V167 HydrophobicContact CD2-CG2 4.02Å; F26-V167 HydrophobicContact CE1-CB 4.38Å; F26-V167 HydrophobicContact CE1-CG2 3.77Å; F26-V167 HydrophobicContact CE2-CB 4.38Å; F26-V167 HydrophobicContact CE2-CG2 3.94Å; F26-V167 HydrophobicContact CG-CB 3.75Å; F26-V167 HydrophobicContact CG-CG1 4.44Å; F26-V167 HydrophobicContact CG-CG2 4.01Å; F26-V167 HydrophobicContact CZ-CG2 3.82Å; F26-G169 WeakPolarHBondContact CA-O 3.25Å; F26-R170 HydrophobicContact CD1-CB 3.92Å; F26-R170 HydrophobicContact CD1-CG 4.47Å; F26-R170 HydrophobicContact CE1-CB 3.71Å; F26-R170 HydrophobicContact CE1-CG 4.1Å; F26-R170 HydrophobicContact CZ-CB 4.47Å; F26-R170 HydrophobicContact CZ-CG 4.38Å; F26-F176 AromaticContact CE2-CD2 3.83Å; F26-F176 HydrophobicContact CE2-CD2 3.83Å; F26-F176 HydrophobicContact CE2-CE2 4.19Å; F26-F176 AromaticContact CZ-CD2 3.66Å; F26-F176 HydrophobicContact CZ-CD2 3.66Å; F26-F176 HydrophobicContact CZ-CE2 4.27Å; F26-M179 HydrophobicContact CE2-SD 3.55Å; F26-M179 VanDerWaalsContact CE2-SD 3.55Å; F26-M179 HydrophobicContact CZ-SD 3.98Å; F26-V283 HydrophobicContact CE1-CG1 4.05Å; F26-Y285 HydrophobicContact CE1-CD2 4.18Å; F26-Y285 HydrophobicContact CE1-CE2 4.37Å; F26-Y285 HydrophobicContact CZ-CD2 4.32Å; F26-Y285 HydrophobicContact CZ-CE2 4.44Å |
| 27 | K | 97.3 | Very high | 98.1 | Very high | 152 Ų | 152 | 51 Ų | 51 | 66% | 0.661 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.1 | -42.6 | 175.2 | -70.3 | 176.4 | -173.9 | 173.8 | 0 | 111.9 | S168 G169 I171 | K27-S168 PolarHBondContact N-O 3.44Å; K27-G169 WeakPolarHBondContact CG-O 3.33Å; K27-G169 PolarHBondContact N-O 3.07Å; K27-I171 HydrophobicContact CD-CG2 4.4Å; K27-I171 HydrophobicContact CG-CG2 3.57Å |
| 28 | T | 98.1 | Very high | 98.1 | Very high | 82 Ų | 82 | 52 Ų | 52 | 50% | 0.503 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 128 | 178.9 | -49.5 | 0 | 0 | 0 | 0 | 108.6 | V167 S168 | T28-V167 CarbonylContact O-C 3.55Å; T28-V167 VanDerWaalsContact O-CA 3.24Å; T28-V167 WeakPolarHBondContact O-CA 3.09Å; T28-S168 WeakPolarHBondContact CB-OG 3.44Å; T28-S168 PolarHBondContact N-O 3.38Å; T28-S168 VanDerWaalsContact N-O 3.11Å; T28-S168 PolarHBondContact O-N 2.81Å |
| 29 | V | 98.6 | Very high | 98.1 | Very high | 18 Ų | 18 | 52 Ų | 52 | 11% | 0.109 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 126.8 | 175.4 | -177 | 0 | 0 | 0 | 0 | 108 | E19 L22 K23 F26 L165 V167 | E19-V29 HydrophobicContact CB-CG1 4.5Å; E19-V29 HydrophobicContact CG-CG1 3.82Å; L22-V29 HydrophobicContact CB-CG1 3.79Å; L22-V29 HydrophobicContact CB-CG2 4.07Å; L22-V29 WeakPolarHBondContact O-CG2 3.34Å; K23-V29 HydrophobicContact CG-CB 4.15Å; K23-V29 HydrophobicContact CG-CG2 4.44Å; F26-V29 HydrophobicContact CB-CG2 3.73Å; V29-L165 HydrophobicContact CG1-CD1 4.29Å; V29-V167 HydrophobicContact CB-CG1 4.25Å; V29-V167 HydrophobicContact CG1-CG1 3.9Å; V29-V167 HydrophobicContact CG2-CG1 3.98Å |
| 30 | K | 98.6 | Very high | 98 | Very high | 118 Ų | 118 | 52.7 Ų | 52.7 | 51% | 0.513 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 121.7 | 170.7 | -176.6 | 65.7 | 179.8 | 172.4 | 0 | 108.5 | E19 N166 | E19-K30 WeakPolarHBondContact OE1-CA 3.42Å; K30-N166 HydrophobicContact CB-CB 4.47Å; K30-N166 PolarHBondContact N-O 3.12Å; K30-N166 PolarHBondContact O-N 3.27Å |
| 31 | C | 98.6 | Very high | 98 | Very high | 10 Ų | 10 | 53.5 Ų | 53.5 | 7% | 0.068 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 130.2 | 169.1 | -154.7 | 0 | 0 | 0 | 0 | 109.2 | S15 E19 I163 E164 L165 | S15-C31 WeakPolarHBondContact O-CB 3.21Å; S15-C31 VanDerWaalsContact OG-C 3.31Å; S15-C31 WeakPolarHBondContact OG-CB 3.5Å; S15-C31 PolarHBondContact OG-O 3.17Å; S15-C31 PolarHBondContact OG-SG 3.16Å; E19-C31 HydrophobicContact CB-CB 3.68Å; E19-C31 HydrophobicContact CG-CB 4.14Å; E19-C31 PolarHBondContact OE1-N 3.45Å; C31-I163 WeakPolarHBondContact SG-CG2 3.47Å; C31-E164 CarbonylContact C-O 3.54Å; C31-E164 VanDerWaalsContact CA-O 3.3Å; C31-E164 WeakPolarHBondContact CA-O 3.33Å; C31-E164 PolarHBondContact SG-O 3.29Å; C31-L165 HydrophobicContact CB-CD1 4.11Å |
| 32 | S | 98.2 | Very high | 97.9 | Very high | 35 Ų | 35 | 55.9 Ų | 55.9 | 25% | 0.245 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 163.7 | -176.1 | 39.9 | 0 | 0 | 0 | 0 | 111.1 | S15 E164 | S15-S32 PolarHBondContact OG-N 3.07Å; S32-E164 PolarHBondContact N-O 2.8Å; S32-E164 PolarHBondContact O-N 3.3Å |
| 33 | I | 98.5 | Very high | 97.8 | Very high | 66 Ų | 66 | 57.6 Ų | 57.6 | 34% | 0.338 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 126.7 | 168.7 | -51.1 | -45.2 | 0 | 0 | 0 | 107.5 | L11 P161 V162 I163 | L11-I33 HydrophobicContact CB-CD1 3.54Å; L11-I33 HydrophobicContact CB-CG1 4.09Å; L11-I33 HydrophobicContact CD1-CG2 4.09Å; I33-P161 HydrophobicContact CG2-CB 3.89Å; I33-V162 WeakPolarHBondContact CA-O 3.36Å; I33-I163 HydrophobicContact CD1-CG1 3.86Å |
| 34 | T | 98.3 | Very high | 97.7 | Very high | 48 Ų | 48 | 53.6 Ų | 53.6 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 161 | 178.7 | -173.8 | 0 | 0 | 0 | 0 | 109.5 | P161 V162 E164 Y288 | T34-P161 CarbonylContact O-C 3.56Å; T34-P161 VanDerWaalsContact O-CA 3.32Å; T34-P161 WeakPolarHBondContact O-CA 3.39Å; T34-V162 HydrophobicContact CG2-CG2 4.18Å; T34-V162 PolarHBondContact N-O 2.94Å; T34-V162 VanDerWaalsContact N-O 3.09Å; T34-V162 PolarHBondContact O-N 3.5Å; T34-E164 HydrophobicContact CG2-CB 3.5Å; T34-E164 HydrophobicContact CG2-CG 4.35Å; T34-Y288 HydrophobicContact CG2-CD1 4.42Å; T34-Y288 HydrophobicContact CG2-CE1 4.06Å |
| 35 | D | 98.1 | Very high | 97.7 | Very high | 123 Ų | 123 | 49.4 Ų | 49.4 | 66% | 0.658 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64 | 134.7 | 163.1 | -66.9 | -39.2 | 0 | 0 | 0 | 109.5 | ||
| 36 | C | 98 | Very high | 97.7 | Very high | 17 Ų | 17 | 49.8 Ų | 49.8 | 12% | 0.115 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 125.7 | 179.4 | -168.8 | 0 | 0 | 0 | 0 | 109.6 | G160 V162 | C36-G160 WeakPolarHBondContact CB-O 3.34Å; C36-G160 PolarHBondContact N-O 2.82Å; C36-V162 HydrophobicContact CB-CB 4.5Å; C36-V162 HydrophobicContact CB-CG1 3.77Å; C36-V162 HydrophobicContact CB-CG2 3.89Å |
| 37 | P | 97.9 | Very high | 97.7 | Very high | 35 Ų | 35 | 50 Ų | 50 | 23% | 0.227 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 164.1 | 171.8 | 30.9 | -36.1 | 0 | 0 | 0 | 109.6 | L39 Y44 Y288 | P37-L39 HydrophobicContact CG-CD2 3.89Å; P37-L39 PolarHBondContact O-N 3.39Å; P37-Y44 HydrophobicContact CB-CE2 4.32Å; P37-Y44 HydrophobicContact CG-CE2 4.28Å; P37-Y288 HydrophobicContact CG-CD1 4.2Å; P37-Y288 HydrophobicContact CG-CD2 4.03Å; P37-Y288 HydrophobicContact CG-CE1 3.84Å; P37-Y288 HydrophobicContact CG-CE2 3.65Å; P37-Y288 HydrophobicContact CG-CG 4.29Å |
| 38 | D | 98.2 | Very high | 97.6 | Very high | 43 Ų | 43 | 45.1 Ų | 45.1 | 23% | 0.23 | 27% | 0.267 | C | S | . | . | trans | -69.7 | 98.7 | 175.2 | -167.5 | -28.5 | 0 | 0 | 0 | 110.8 | T40 S41 R49 | D38-T40 PolarHBondContact O-N 3.4Å; D38-T40 WeakPolarHBondContact OD1-CB 3.36Å; D38-T40 PolarHBondContact OD1-N 3.18Å; D38-T40 PolarHBondContact OD1-OG1 3.13Å; D38-S41 VanDerWaalsContact O-CB 3.28Å; D38-S41 WeakPolarHBondContact O-CB 3.46Å; D38-S41 PolarHBondContact O-N 3.26Å; D38-R49 WeakPolarHBondContact OD1-CG 3.19Å; D38-R49 IonicContact OD1-NE 3.96Å; D38-R49 IonicContact OD2-CZ 3.95Å; D38-R49 IonicContact OD2-NE 2.62Å; D38-R49 PolarHBondContact OD2-NE 2.93Å; D38-R49 IonicContact OD2-NH2 3.23Å; D38-R49 PolarHBondContact OD2-NH2 3.19Å | ||
| 39 | L | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -3.4 | -177.5 | -59.2 | -176.8 | 0 | 0 | 0 | 113.9 | P37 S41 Y44 L46 R49 L51 V200 Y288 | P37-L39 HydrophobicContact CG-CD2 3.89Å; P37-L39 PolarHBondContact O-N 3.39Å; L39-S41 VanDerWaalsContact C-N 3.3Å; L39-Y44 HydrophobicContact CD2-CD1 3.83Å; L39-Y44 HydrophobicContact CD2-CD2 3.84Å; L39-Y44 HydrophobicContact CD2-CE1 4.06Å; L39-Y44 HydrophobicContact CD2-CE2 4.07Å; L39-Y44 HydrophobicContact CD2-CG 3.71Å; L39-Y44 VanDerWaalsContact O-CB 3.23Å; L39-Y44 WeakPolarHBondContact O-CB 3.47Å; L39-L46 HydrophobicContact CB-CB 4.16Å; L39-L46 HydrophobicContact CB-CD1 4.03Å; L39-L46 HydrophobicContact CB-CG 4.29Å; L39-L46 HydrophobicContact CD1-CD1 4Å; L39-L46 WeakPolarHBondContact O-CA 3.4Å; L39-L46 VanDerWaalsContact O-CB 3.32Å; L39-L46 WeakPolarHBondContact O-CB 3.44Å; L39-L46 PolarHBondContact O-N 2.87Å; L39-R49 PolarHBondContact N-O 3.15Å; L39-L51 HydrophobicContact CD1-CD1 3.73Å; L39-L51 HydrophobicContact CD1-CD2 3.91Å; L39-L51 HydrophobicContact CD1-CG 3.47Å; L39-L51 VanDerWaalsContact CD1-CG 3.47Å; L39-V200 HydrophobicContact CD1-CG1 4.06Å; L39-V200 HydrophobicContact CD2-CG1 3.97Å; L39-Y288 HydrophobicContact CD2-CD2 4.45Å |
| 40 | T | 97.5 | Very high | 97.5 | Very high | 53 Ų | 53 | 47.4 Ų | 47.4 | 33% | 0.325 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -17.4 | 167.8 | 69.4 | 0 | 0 | 0 | 0 | 112.4 | D38 L46 L48 R49 | D38-T40 PolarHBondContact O-N 3.4Å; D38-T40 WeakPolarHBondContact OD1-CB 3.36Å; D38-T40 PolarHBondContact OD1-N 3.18Å; D38-T40 PolarHBondContact OD1-OG1 3.13Å; T40-L46 WeakPolarHBondContact CA-O 3.11Å; T40-L48 VanDerWaalsContact CG2-C 3.4Å; T40-R49 HydrophobicContact CG2-CB 4.4Å; T40-R49 HydrophobicContact CG2-CG 3.74Å |
| 41 | S | 97.3 | Very high | 97.5 | Very high | 57 Ų | 57 | 42 Ų | 42 | 40% | 0.399 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -78.7 | 162.3 | 179.5 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | D38 L39 Y44 G45 | D38-S41 VanDerWaalsContact O-CB 3.28Å; D38-S41 WeakPolarHBondContact O-CB 3.46Å; D38-S41 PolarHBondContact O-N 3.26Å; L39-S41 VanDerWaalsContact C-N 3.3Å; S41-Y44 WeakPolarHBondContact O-CD2 3.29Å; S41-Y44 PolarHBondContact O-N 2.9Å; S41-G45 PolarHBondContact O-N 3.28Å |
| 42 | S | 96.1 | Very high | 97.3 | Very high | 87 Ų | 87 | 42.2 Ų | 42.2 | 61% | 0.608 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 142.5 | 169.5 | -174.6 | 0 | 0 | 0 | 0 | 110.5 | Q266 | S42-Q266 PolarHBondContact OG-NE2 3.26Š|
| 43 | P | 96.3 | Very high | 97.1 | Very high | 35 Ų | 35 | 42.2 Ų | 42.2 | 23% | 0.227 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -87.6 | -3.4 | 1.6 | 35.8 | -35.4 | 0 | 0 | 0 | 114.3 | V202 P239 I241 Q266 | P43-V202 HydrophobicContact CG-CG1 4.05Å; P43-V202 HydrophobicContact CG-CG2 4.33Å; P43-P239 HydrophobicContact CB-CB 4.31Å; P43-I241 HydrophobicContact CB-CD1 4.46Å; P43-I241 WeakPolarHBondContact O-CD1 3.46Å; P43-I241 VanDerWaalsContact O-CG1 3.29Å; P43-I241 WeakPolarHBondContact O-CG1 3.28Å; P43-Q266 HydrophobicContact CB-CG 4.36Å |
| 44 | Y | 97.2 | Very high | 96.9 | Very high | 26 Ų | 26 | 45.2 Ų | 45.2 | 10% | 0.102 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -47.5 | -166.8 | -44.3 | -69.6 | 0 | 0 | 0 | 114 | P37 L39 S41 L46 V202 F264 Y288 | P37-Y44 HydrophobicContact CB-CE2 4.32Å; P37-Y44 HydrophobicContact CG-CE2 4.28Å; L39-Y44 HydrophobicContact CD2-CD1 3.83Å; L39-Y44 HydrophobicContact CD2-CD2 3.84Å; L39-Y44 HydrophobicContact CD2-CE1 4.06Å; L39-Y44 HydrophobicContact CD2-CE2 4.07Å; L39-Y44 HydrophobicContact CD2-CG 3.71Å; L39-Y44 VanDerWaalsContact O-CB 3.23Å; L39-Y44 WeakPolarHBondContact O-CB 3.47Å; S41-Y44 WeakPolarHBondContact O-CD2 3.29Å; S41-Y44 PolarHBondContact O-N 2.9Å; Y44-L46 VanDerWaalsContact C-N 3.28Å; Y44-L46 PolarHBondContact O-N 2.84Å; Y44-V202 HydrophobicContact CD1-CG2 3.73Å; Y44-V202 HydrophobicContact CE1-CG2 3.75Å; Y44-F264 WeakPolarHBondContact O-CZ 3.2Å; Y44-Y288 HydrophobicContact CE1-CD2 4.18Å; Y44-Y288 AromaticContact CE1-CE2 3.88Å; Y44-Y288 HydrophobicContact CE1-CE2 3.88Å; Y44-Y288 AromaticContact CZ-CE2 3.98Å; Y44-Y288 WeakPolarHBondContact OH-CE2 3.38Å |
| 45 | G | 96 | Very high | 96.9 | Very high | 31 Ų | 31 | 43 Ų | 43 | 32% | 0.32 | 25% | 0.248 | S | C | . | . | trans | 62.9 | 26.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S41 N112 | S41-G45 PolarHBondContact O-N 3.28Å; G45-N112 PolarHBondContact O-ND2 2.67Å; G45-N112 VanDerWaalsContact O-ND2 3.08Å | ||
| 46 | L | 97.9 | Very high | 96.9 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | trans | -78.5 | 162.1 | 177.9 | -57.3 | -169.9 | 0 | 0 | 0 | 112.3 | L39 T40 Y44 I93 N112 V200 V243 | L39-L46 HydrophobicContact CB-CB 4.16Å; L39-L46 HydrophobicContact CB-CD1 4.03Å; L39-L46 HydrophobicContact CB-CG 4.29Å; L39-L46 HydrophobicContact CD1-CD1 4Å; L39-L46 WeakPolarHBondContact O-CA 3.4Å; L39-L46 VanDerWaalsContact O-CB 3.32Å; L39-L46 WeakPolarHBondContact O-CB 3.44Å; L39-L46 PolarHBondContact O-N 2.87Å; T40-L46 WeakPolarHBondContact CA-O 3.11Å; Y44-L46 VanDerWaalsContact C-N 3.28Å; Y44-L46 PolarHBondContact O-N 2.84Å; L46-I93 HydrophobicContact CD1-CD1 4.33Å; L46-I93 HydrophobicContact CD1-CG2 4.3Å; L46-I93 HydrophobicContact CD2-CG2 4.43Å; L46-N112 WeakPolarHBondContact CA-OD1 3.45Å; L46-V200 HydrophobicContact CD1-CB 4.27Å; L46-V200 HydrophobicContact CD1-CG2 4.47Å; L46-V243 HydrophobicContact CD1-CG1 4.44Å; L46-V243 HydrophobicContact CD2-CG1 3.85Å | ||
| 47 | T | 97.4 | Very high | 96.9 | Very high | 6 Ų | 6 | 36.8 Ų | 36.8 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -76.3 | -30.7 | -176.9 | 51.6 | 0 | 0 | 0 | 0 | 113.4 | N112 I113 S114 K121 | T47-N112 WeakPolarHBondContact CG2-O 3.15Å; T47-N112 PolarHBondContact N-OD1 2.88Å; T47-N112 PolarHBondContact OG1-OD1 2.74Å; T47-I113 PolarHBondContact OG1-O 2.9Å; T47-S114 WeakPolarHBondContact OG1-CB 3.5Å; T47-S114 PolarHBondContact OG1-N 2.93Å; T47-K121 HydrophobicContact CG2-CD 4.44Å; T47-K121 HydrophobicContact CG2-CG 4.16Å; T47-K121 WeakPolarHBondContact CG2-O 3.49Å; T47-K121 PolarHBondContact O-NZ 2.95Å |
| 48 | L | 95.5 | Very high | 96.9 | Very high | 49 Ų | 49 | 35.1 Ų | 35.1 | 26% | 0.257 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -115.5 | 160.8 | 172.9 | -72 | -171.2 | 0 | 0 | 0 | 112.8 | T40 G90 A91 | T40-L48 VanDerWaalsContact CG2-C 3.4Å; L48-G90 VanDerWaalsContact CD1-C 3.48Å; L48-A91 HydrophobicContact CB-CB 4.03Å; L48-A91 HydrophobicContact CD1-CB 3.63Å; L48-A91 HydrophobicContact CG-CB 3.88Å |
| 49 | R | 96.5 | Very high | 96.9 | Very high | 146 Ų | 146 | 33.7 Ų | 33.7 | 55% | 0.551 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -80 | -27.5 | -170.8 | -55.8 | 179.3 | 70.7 | -164.3 | -0.6 | 113.7 | D38 L39 T40 | D38-R49 WeakPolarHBondContact OD1-CG 3.19Å; D38-R49 IonicContact OD1-NE 3.96Å; D38-R49 IonicContact OD2-CZ 3.95Å; D38-R49 IonicContact OD2-NE 2.62Å; D38-R49 PolarHBondContact OD2-NE 2.93Å; D38-R49 IonicContact OD2-NH2 3.23Å; D38-R49 PolarHBondContact OD2-NH2 3.19Å; L39-R49 PolarHBondContact N-O 3.15Å; T40-R49 HydrophobicContact CG2-CB 4.4Å; T40-R49 HydrophobicContact CG2-CG 3.74Å |
| 50 | G | 97.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | trans | -134.9 | 179 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G157 K158 | G50-G157 PolarHBondContact N-O 3.2Å; G50-G157 VanDerWaalsContact O-CA 3.22Å; G50-G157 WeakPolarHBondContact O-CA 3.48Å; G50-K158 WeakPolarHBondContact CA-O 3.49Å | ||
| 51 | L | 97.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | trans | -121.8 | 2.5 | 175.9 | -61.1 | 170.3 | 0 | 0 | 0 | 112.5 | L39 I93 V162 V200 Y288 S290 | L39-L51 HydrophobicContact CD1-CD1 3.73Å; L39-L51 HydrophobicContact CD1-CD2 3.91Å; L39-L51 HydrophobicContact CD1-CG 3.47Å; L39-L51 VanDerWaalsContact CD1-CG 3.47Å; L51-I93 HydrophobicContact CD2-CD1 3.76Å; L51-V162 HydrophobicContact CB-CG1 4.15Å; L51-V200 HydrophobicContact CD1-CG1 4.49Å; L51-Y288 WeakPolarHBondContact CD1-O 3.28Å; L51-S290 WeakPolarHBondContact CB-OG 3.39Å; L51-S290 WeakPolarHBondContact O-CB 3.39Å; L51-S290 PolarHBondContact O-OG 2.89Å | ||
| 52 | S | 95.7 | Very high | 96.8 | Very high | 15 Ų | 15 | 29.2 Ų | 29.2 | 11% | 0.105 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -83.3 | 167.2 | -177.8 | -59.9 | 0 | 0 | 0 | 0 | 112 | G157 K158 G160 P161 | S52-G157 PolarHBondContact O-N 3.15Å; S52-K158 VanDerWaalsContact CB-O 3.25Å; S52-K158 WeakPolarHBondContact CB-O 3.44Å; S52-K158 PolarHBondContact N-O 2.58Å; S52-K158 PolarHBondContact O-N 3.11Å; S52-G160 WeakPolarHBondContact OG-CA 3.38Å; S52-G160 PolarHBondContact OG-N 2.78Å; S52-G160 PolarHBondContact OG-O 2.96Å; S52-P161 PolarHBondContact OG-O 2.97Å |
| 53 | G | 94 | Very high | 96.6 | Very high | 35 Ų | 35 | 27.1 Ų | 27.1 | 36% | 0.361 | 15% | 0.147 | S | C | . | . | S | Bend | trans | 109.4 | -168.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | E156 | G53-E156 WeakPolarHBondContact CA-OE2 3.5Š|
| 54 | E | 94.7 | Very high | 96.4 | Very high | 129 Ų | 129 | 28 Ų | 28 | 60% | 0.603 | 15% | 0.15 | S | C | * | . | S | Bend | trans | -67.4 | 135.4 | 171 | -65 | -168 | 162.7 | 0 | 0 | 110.3 | C155 E156 E293 | E54-C155 VanDerWaalsContact O-CA 3.25Å; E54-C155 WeakPolarHBondContact O-CA 3.22Å; E54-E156 PolarHBondContact N-OE2 3.06Å; E54-E293 VanDerWaalsContact CA-OE2 3.29Å; E54-E293 WeakPolarHBondContact CA-OE2 3.49Å |
| 55 | G | 96.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 131 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | M154 A292 E293 H294 | G55-M154 CarbonylContact C-O 3.5Å; G55-M154 WeakPolarHBondContact CA-O 3.2Å; G55-A292 CarbonylContact O-C 3.56Å; G55-A292 WeakPolarHBondContact O-CA 3.45Å; G55-E293 PolarHBondContact N-OE2 2.99Å; G55-E293 PolarHBondContact O-N 2.86Å; G55-H294 PolarHBondContact O-N 3.16Å |
| 56 | V | 98.3 | Very high | 96.3 | Very high | 11 Ų | 11 | 26.3 Ų | 26.3 | 7% | 0.067 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 128.1 | 179.3 | -172.2 | 0 | 0 | 0 | 0 | 109.5 | M154 H294 L296 | V56-M154 HydrophobicContact CB-CB 4.34Å; V56-M154 PolarHBondContact N-O 3.43Å; V56-M154 PolarHBondContact O-N 2.9Å; V56-H294 WeakPolarHBondContact CA-O 3.23Å; V56-H294 HydrophobicContact CG1-CB 4.21Å; V56-H294 HydrophobicContact CG2-CB 4.31Å; V56-L296 HydrophobicContact CG1-CB 3.89Å |
| 57 | I | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 121.2 | 165.5 | -68.4 | 177.6 | 0 | 0 | 0 | 107.8 | L6 M152 F153 I245 V247 A292 H294 L295 L296 | L6-I57 HydrophobicContact CD1-CD1 4.31Å; I57-M152 WeakPolarHBondContact CA-O 3.4Å; I57-F153 HydrophobicContact CG1-CD2 4.44Å; I57-I245 HydrophobicContact CD1-CB 4.3Å; I57-I245 HydrophobicContact CD1-CG2 4.38Å; I57-I245 HydrophobicContact CG1-CG2 4.08Å; I57-I245 HydrophobicContact CG2-CG2 4.44Å; I57-V247 HydrophobicContact CD1-CG2 3.74Å; I57-A292 HydrophobicContact CD1-CB 4.1Å; I57-A292 HydrophobicContact CG1-CB 3.72Å; I57-H294 PolarHBondContact N-O 3.13Å; I57-L295 HydrophobicContact CG2-CD1 4.35Å; I57-L295 HydrophobicContact CG2-CG 4.44Å; I57-L295 CarbonylContact O-C 3.55Å; I57-L295 VanDerWaalsContact O-CA 3.27Å; I57-L295 WeakPolarHBondContact O-CA 3.35Å; I57-L296 PolarHBondContact O-N 3.17Å |
| 58 | C | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 123 | 177 | -59.5 | 0 | 0 | 0 | 0 | 109.4 | V81 Q151 M152 L296 | C58-V81 HydrophobicContact CB-CG1 3.7Å; C58-Q151 WeakPolarHBondContact O-CA 3.47Å; C58-M152 HydrophobicContact CB-CG 3.65Å; C58-M152 HydrophobicContact CB-SD 4.29Å; C58-M152 PolarHBondContact N-O 3.15Å; C58-M152 PolarHBondContact O-N 3.49Å; C58-L296 WeakPolarHBondContact CA-O 3.42Å |
| 59 | D | 98.1 | Very high | 95.8 | Very high | 13 Ų | 13 | 30.5 Ų | 30.5 | 7% | 0.07 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 104 | 177.5 | -174 | 79.1 | 0 | 0 | 0 | 109.5 | Q151 L256 L296 R297 I298 | D59-Q151 HydrophobicContact CB-CG 4.43Å; D59-Q151 WeakPolarHBondContact OD1-CG 3.46Å; D59-L256 HydrophobicContact CB-CD2 3.83Å; D59-L296 PolarHBondContact N-O 3.14Å; D59-R297 WeakPolarHBondContact O-CA 3.42Å; D59-R297 PolarHBondContact O-NH1 2.65Å; D59-R297 WeakPolarHBondContact OD2-CD 3.38Å; D59-R297 IonicContact OD2-CZ 2.93Å; D59-R297 IonicContact OD2-NE 3Å; D59-R297 PolarHBondContact OD2-NE 3.35Å; D59-R297 IonicContact OD2-NH1 3.58Å; D59-R297 PolarHBondContact OD2-NH1 3.48Å; D59-R297 VanDerWaalsContact OD2-NH1 3.1Å; D59-R297 IonicContact OD2-NH2 3.49Å; D59-R297 PolarHBondContact OD2-NH2 3.37Å; D59-I298 PolarHBondContact O-N 3.42Å |
| 60 | V | 98.5 | Very high | 95.7 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.012 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 133.5 | -173.1 | -170.6 | 0 | 0 | 0 | 0 | 109.6 | Y76 V81 F146 L149 G150 M152 I298 | V60-Y76 HydrophobicContact CG1-CD1 3.62Å; V60-Y76 HydrophobicContact CG1-CD2 4.05Å; V60-Y76 HydrophobicContact CG1-CE1 3.92Å; V60-Y76 HydrophobicContact CG1-CE2 4.31Å; V60-Y76 HydrophobicContact CG1-CG 3.7Å; V60-V81 HydrophobicContact CG2-CG2 3.91Å; V60-F146 HydrophobicContact CB-CE2 4Å; V60-F146 HydrophobicContact CB-CZ 3.77Å; V60-F146 HydrophobicContact CG1-CE2 4.04Å; V60-F146 HydrophobicContact CG1-CZ 3.68Å; V60-F146 HydrophobicContact CG2-CZ 4.07Å; V60-L149 CarbonylContact O-C 3.58Å; V60-L149 VanDerWaalsContact O-CA 3.24Å; V60-L149 WeakPolarHBondContact O-CA 3.29Å; V60-G150 PolarHBondContact N-O 3.01Å; V60-G150 PolarHBondContact O-N 2.84Å; V60-M152 HydrophobicContact CG2-CE 4.23Å; V60-I298 WeakPolarHBondContact CA-O 3.5Å; V60-I298 HydrophobicContact CB-CB 4.38Å; V60-I298 HydrophobicContact CG1-CB 4.07Å; V60-I298 HydrophobicContact CG1-CG2 3.96Å; V60-I298 HydrophobicContact CG2-CB 4.16Å; V60-I298 HydrophobicContact CG2-CD1 4.03Å |
| 61 | G | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 70.4 | -147.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y76 L148 R297 I298 | G61-Y76 WeakPolarHBondContact CA-OH 3.36Å; G61-L148 WeakPolarHBondContact CA-O 3.38Å; G61-R297 PolarHBondContact O-NH1 2.91Å; G61-R297 PolarHBondContact O-NH2 2.99Å; G61-I298 PolarHBondContact N-O 3.41Å |
| 62 | S | 95.1 | Very high | 95.6 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | trans | -168.8 | 156.1 | 176.6 | -178.1 | 0 | 0 | 0 | 0 | 112 | D64 Y65 L148 P301 | S62-D64 PolarHBondContact O-N 2.78Å; S62-D64 PolarHBondContact OG-N 2.8Å; S62-D64 PolarHBondContact OG-OD2 2.91Å; S62-Y65 WeakPolarHBondContact O-CB 3.46Å; S62-Y65 PolarHBondContact O-N 3.19Å; S62-L148 PolarHBondContact N-O 2.84Å; S62-P301 WeakPolarHBondContact OG-CG 3.38Å | ||
| 63 | F | 91.9 | Very high | 95.7 | Very high | 43 Ų | 43 | 38.2 Ų | 38.2 | 19% | 0.189 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -56.3 | -25.2 | 163.3 | -81 | -85.9 | 0 | 0 | 0 | 112.7 | Y65 L66 L67 L149 R257 H260 L322 | F63-Y65 PolarHBondContact O-N 2.69Å; F63-Y65 VanDerWaalsContact O-N 3.15Å; F63-L66 PolarHBondContact O-N 2.82Å; F63-L67 PolarHBondContact O-N 2.86Å; F63-L149 HydrophobicContact CB-CD2 4.43Å; F63-L149 HydrophobicContact CD1-CD2 3.75Å; F63-L149 HydrophobicContact CD2-CD2 4.05Å; F63-L149 HydrophobicContact CE1-CD2 3.86Å; F63-L149 HydrophobicContact CE2-CD1 3.99Å; F63-L149 HydrophobicContact CE2-CD2 4.13Å; F63-L149 HydrophobicContact CG-CD2 3.84Å; F63-L149 HydrophobicContact CZ-CD1 3.95Å; F63-L149 HydrophobicContact CZ-CD2 4.03Å; F63-R257 HydrophobicContact CE2-CB 4.19Å; F63-R257 HydrophobicContact CE2-CG 4.48Å; F63-H260 AromaticContact CZ-CE1 3.86Å; F63-L322 HydrophobicContact CD1-CD1 3.81Å; F63-L322 HydrophobicContact CE1-CD1 4.27Å; F63-L322 HydrophobicContact CG-CD1 4.21Å |
| 64 | D | 92.4 | Very high | 95.9 | Very high | 54 Ų | 54 | 38.4 Ų | 38.4 | 29% | 0.289 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -66.7 | -10.3 | 172.7 | -60.2 | -23.6 | 0 | 0 | 0 | 113.7 | S62 P301 H306 | S62-D64 PolarHBondContact O-N 2.78Å; S62-D64 PolarHBondContact OG-N 2.8Å; S62-D64 PolarHBondContact OG-OD2 2.91Å; D64-P301 HydrophobicContact CB-CB 4.32Å; D64-P301 HydrophobicContact CB-CG 3.88Å; D64-P301 WeakPolarHBondContact OD2-CG 3.5Å; D64-H306 IonicContact OD2-NE2 3.79Å |
| 65 | Y | 95.5 | Very high | 96.1 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -95.4 | -13.3 | 172.5 | -58.7 | -18.6 | 0 | 0 | 0 | 111.9 | S62 F63 P70 K71 K74 Y76 L148 D299 P301 | S62-Y65 WeakPolarHBondContact O-CB 3.46Å; S62-Y65 PolarHBondContact O-N 3.19Å; F63-Y65 PolarHBondContact O-N 2.69Å; F63-Y65 VanDerWaalsContact O-N 3.15Å; Y65-P70 CarbonylContact O-C 3.54Å; Y65-P70 WeakPolarHBondContact O-CA 3.27Å; Y65-K71 HydrophobicContact CD1-CD 3.75Å; Y65-K71 HydrophobicContact CE1-CD 4.33Å; Y65-K71 HydrophobicContact CG-CD 4.47Å; Y65-K71 PolarHBondContact O-N 3.19Å; Y65-K74 HydrophobicContact CD2-CB 4.23Å; Y65-K74 HydrophobicContact CD2-CD 4.03Å; Y65-K74 HydrophobicContact CD2-CG 3.72Å; Y65-K74 HydrophobicContact CE2-CD 4Å; Y65-K74 HydrophobicContact CE2-CG 4.22Å; Y65-K74 HydrophobicContact CG-CG 3.92Å; Y65-Y76 WeakPolarHBondContact CD2-OH 3.28Å; Y65-Y76 WeakPolarHBondContact CE2-OH 3.37Å; Y65-L148 WeakPolarHBondContact CD2-O 3.33Å; Y65-D299 WeakPolarHBondContact CE2-O 3.34Å; Y65-D299 VanDerWaalsContact CE2-OD2 3.31Å; Y65-D299 WeakPolarHBondContact CE2-OD2 3.4Å; Y65-D299 PolarHBondContact OH-O 3.23Å; Y65-D299 VanDerWaalsContact OH-O 3.09Å; Y65-D299 PolarHBondContact OH-OD1 3.35Å; Y65-P301 HydrophobicContact CD1-CG 4.39Å; Y65-P301 HydrophobicContact CE1-CB 4.03Å; Y65-P301 HydrophobicContact CE1-CG 3.73Å |
| 66 | L | 94 | Very high | 96.2 | Very high | 13 Ų | 13 | 37.5 Ų | 37.5 | 7% | 0.068 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -41.2 | 170.8 | 176.3 | 62.2 | 0 | 0 | 0 | 111.5 | F63 V69 P70 L148 L149 F216 W230 | F63-L66 PolarHBondContact O-N 2.82Å; L66-V69 CarbonylContact O-C 3.55Å; L66-P70 HydrophobicContact CD1-CG 4.36Å; L66-P70 WeakPolarHBondContact O-CA 3.39Å; L66-P70 WeakPolarHBondContact O-CD 3.37Å; L66-L148 HydrophobicContact CB-CD1 4.23Å; L66-L148 HydrophobicContact CD1-CD1 3.67Å; L66-L149 HydrophobicContact CB-CD2 4.3Å; L66-L149 HydrophobicContact CD2-CD2 4.47Å; L66-F216 HydrophobicContact CD1-CD1 4.44Å; L66-F216 HydrophobicContact CD1-CE1 4.02Å; L66-W230 HydrophobicContact CD1-CH2 4.14Å |
| 67 | L | 92.7 | Very high | 96.2 | Very high | 20 Ų | 20 | 37.6 Ų | 37.6 | 11% | 0.105 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -117.5 | 148.5 | -169.6 | -58.5 | 176.3 | 0 | 0 | 0 | 112.3 | F63 V69 L221 L227 L322 | F63-L67 PolarHBondContact O-N 2.86Å; L67-V69 VanDerWaalsContact C-N 3.33Å; L67-L221 HydrophobicContact CD2-CB 3.64Å; L67-L221 HydrophobicContact CD2-CD1 3.74Å; L67-L221 HydrophobicContact CD2-CG 4.34Å; L67-L227 HydrophobicContact CD1-CD2 4.46Å; L67-L227 HydrophobicContact CD2-CD1 4.14Å; L67-L322 HydrophobicContact CD1-CD1 4.12Å |
| 68 | P | 93.6 | Very high | 96.2 | Very high | 47 Ų | 47 | 37.6 Ų | 37.6 | 31% | 0.305 | 19% | 0.191 | S | C | . | . | S | Bend | cis | -78.1 | -16.1 | -8.6 | 33.3 | -36.2 | 0 | 0 | 0 | 112.8 | P220 L221 D222 | P68-P220 HydrophobicContact CB-CB 4.17Å; P68-P220 WeakPolarHBondContact O-CA 3.46Å; P68-L221 PolarHBondContact O-N 2.7Å; P68-D222 HydrophobicContact CB-CB 4.18Å |
| 69 | V | 95.1 | Very high | 96.1 | Very high | 85 Ų | 85 | 39.1 Ų | 39.1 | 52% | 0.515 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -125.3 | 125.5 | 177.3 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | L66 L67 K71 P220 | L66-V69 CarbonylContact O-C 3.55Å; L67-V69 VanDerWaalsContact C-N 3.33Å; V69-K71 PolarHBondContact O-N 3.08Å; V69-P220 HydrophobicContact CG2-CB 3.94Å; V69-P220 HydrophobicContact CG2-CG 3.91Å |
| 70 | P | 94.9 | Very high | 96 | Very high | 23 Ų | 23 | 42 Ų | 42 | 15% | 0.149 | 21% | 0.214 | C | C | . | . | trans | -62.5 | 131 | -177.4 | -22.6 | 30.7 | 0 | 0 | 0 | 113.4 | Y65 L66 K72 F216 | Y65-P70 CarbonylContact O-C 3.54Å; Y65-P70 WeakPolarHBondContact O-CA 3.27Å; L66-P70 HydrophobicContact CD1-CG 4.36Å; L66-P70 WeakPolarHBondContact O-CA 3.39Å; L66-P70 WeakPolarHBondContact O-CD 3.37Å; P70-K72 HydrophobicContact CB-CG 4.11Å; P70-K72 PolarHBondContact O-N 3.11Å; P70-F216 HydrophobicContact CB-CD1 3.84Å; P70-F216 HydrophobicContact CB-CE1 3.9Å; P70-F216 HydrophobicContact CB-CG 4.5Å; P70-F216 HydrophobicContact CG-CB 4.33Å; P70-F216 HydrophobicContact CG-CD1 3.36Å; P70-F216 HydrophobicContact CG-CE1 3.87Å; P70-F216 HydrophobicContact CG-CG 4.05Å | ||
| 71 | K | 96.5 | Very high | 95.9 | Very high | 77 Ų | 77 | 42.1 Ų | 42.1 | 34% | 0.335 | 22% | 0.215 | S | C | . | . | trans | -87.1 | 81.3 | 169.6 | -63 | -173.1 | -172.2 | 170.7 | 0 | 109.3 | Y65 V69 D73 K74 L148 | Y65-K71 HydrophobicContact CD1-CD 3.75Å; Y65-K71 HydrophobicContact CE1-CD 4.33Å; Y65-K71 HydrophobicContact CG-CD 4.47Å; Y65-K71 PolarHBondContact O-N 3.19Å; V69-K71 PolarHBondContact O-N 3.08Å; K71-D73 PolarHBondContact O-N 2.8Å; K71-K74 HydrophobicContact CB-CG 3.91Å; K71-K74 WeakPolarHBondContact O-CB 3.46Å; K71-K74 WeakPolarHBondContact O-CG 3.25Å; K71-K74 PolarHBondContact O-N 3.06Å; K71-K74 VanDerWaalsContact O-N 3.09Å; K71-L148 VanDerWaalsContact O-CD2 3.24Å; K71-L148 WeakPolarHBondContact O-CD2 3.35Å | ||
| 72 | K | 96.3 | Very high | 95.8 | Very high | 109 Ų | 109 | 42.4 Ų | 42.4 | 47% | 0.474 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 0 | -170.7 | -62.8 | -173.1 | -177.3 | -176.6 | 0 | 115 | P70 H75 F100 F216 | P70-K72 HydrophobicContact CB-CG 4.11Å; P70-K72 PolarHBondContact O-N 3.11Å; K72-H75 PolarHBondContact O-NE2 3.23Å; K72-F100 HydrophobicContact CB-CE2 3.91Å; K72-F100 HydrophobicContact CB-CZ 3.86Å; K72-F100 HydrophobicContact CD-CE2 4.46Å; K72-F100 HydrophobicContact CG-CE2 4.2Å; K72-F100 HydrophobicContact CG-CZ 4.16Å; K72-F216 HydrophobicContact CD-CD2 4.3Å; K72-F216 HydrophobicContact CD-CE2 4.39Å |
| 73 | D | 97.5 | Very high | 95.8 | Very high | 120 Ų | 120 | 49 Ų | 49 | 64% | 0.642 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -6.9 | 172.4 | 61.9 | -44.7 | 0 | 0 | 0 | 113 | K71 H75 | K71-D73 PolarHBondContact O-N 2.8Å; D73-H75 PolarHBondContact O-N 3.06Å |
| 74 | K | 98.1 | Very high | 96 | Very high | 39 Ų | 39 | 49 Ų | 49 | 17% | 0.17 | 25% | 0.245 | C | C | . | . | trans | -83.9 | 91.4 | -178.5 | -64.7 | -59.6 | -161.9 | 163.3 | 0 | 112 | Y65 K71 Y76 A147 L148 D299 | Y65-K74 HydrophobicContact CD2-CB 4.23Å; Y65-K74 HydrophobicContact CD2-CD 4.03Å; Y65-K74 HydrophobicContact CD2-CG 3.72Å; Y65-K74 HydrophobicContact CE2-CD 4Å; Y65-K74 HydrophobicContact CE2-CG 4.22Å; Y65-K74 HydrophobicContact CG-CG 3.92Å; K71-K74 HydrophobicContact CB-CG 3.91Å; K71-K74 WeakPolarHBondContact O-CB 3.46Å; K71-K74 WeakPolarHBondContact O-CG 3.25Å; K71-K74 PolarHBondContact O-N 3.06Å; K71-K74 VanDerWaalsContact O-N 3.09Å; K74-Y76 HydrophobicContact CB-CE2 4.25Å; K74-A147 CarbonylContact O-C 3.6Å; K74-A147 VanDerWaalsContact O-CA 3.29Å; K74-A147 WeakPolarHBondContact O-CA 3.45Å; K74-A147 WeakPolarHBondContact O-CB 3.34Å; K74-L148 HydrophobicContact CB-CD2 4.3Å; K74-L148 PolarHBondContact O-N 3.18Å; K74-D299 VanDerWaalsContact NZ-CG 3.29Å; K74-D299 IonicContact NZ-OD1 3.1Å; K74-D299 PolarHBondContact NZ-OD1 3.22Å; K74-D299 IonicContact NZ-OD2 2.77Å; K74-D299 PolarHBondContact NZ-OD2 2.93Å | ||
| 75 | H | 98.4 | Very high | 96.1 | Very high | 80 Ų | 80 | 47.7 Ų | 47.7 | 37% | 0.37 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 144.2 | 179 | -54.3 | 154.4 | 0 | 0 | 0 | 111.8 | K72 D73 F100 F101 | K72-H75 PolarHBondContact O-NE2 3.23Å; D73-H75 PolarHBondContact O-N 3.06Å; H75-F100 AromaticContact NE2-CE2 3.96Å; H75-F100 AromaticContact NE2-CZ 3.8Å; H75-F101 HydrophobicContact CB-CD1 4.4Å; H75-F101 HydrophobicContact CB-CE1 3.81Å; H75-F101 HydrophobicContact CB-CZ 3.86Å; H75-F101 AromaticContact CD2-CD1 3.18Å; H75-F101 WeakPolarHBondContact CD2-CD1 3.3Å; H75-F101 AromaticContact CD2-CE1 3.44Å; H75-F101 VanDerWaalsContact CD2-CE1 3.44Å; H75-F101 WeakPolarHBondContact CD2-CE1 3.38Å; H75-F101 AromaticContact CD2-CG 3.81Å; H75-F101 AromaticContact CE1-CD1 3.79Å; H75-F101 AromaticContact CE1-CG 3.56Å; H75-F101 AromaticContact CG-CD1 3.64Å; H75-F101 AromaticContact CG-CE1 3.55Å; H75-F101 AromaticContact CG-CZ 3.87Å; H75-F101 AromaticContact ND1-CD1 3.98Å; H75-F101 AromaticContact ND1-CG 3.9Å; H75-F101 AromaticContact NE2-CD1 3.29Å; H75-F101 VanDerWaalsContact NE2-CD1 3.29Å; H75-F101 WeakPolarHBondContact NE2-CD1 3.25Å; H75-F101 AromaticContact NE2-CG 3.49Å; H75-F101 WeakPolarHBondContact NE2-CG 3.35Å |
| 76 | Y | 98.6 | Very high | 95.9 | Very high | 30 Ų | 30 | 50.6 Ų | 50.6 | 12% | 0.118 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 165.9 | -175.3 | -50.4 | -70.6 | 0 | 0 | 0 | 111.5 | V60 G61 Y65 K74 K145 F146 D299 | V60-Y76 HydrophobicContact CG1-CD1 3.62Å; V60-Y76 HydrophobicContact CG1-CD2 4.05Å; V60-Y76 HydrophobicContact CG1-CE1 3.92Å; V60-Y76 HydrophobicContact CG1-CE2 4.31Å; V60-Y76 HydrophobicContact CG1-CG 3.7Å; G61-Y76 WeakPolarHBondContact CA-OH 3.36Å; Y65-Y76 WeakPolarHBondContact CD2-OH 3.28Å; Y65-Y76 WeakPolarHBondContact CE2-OH 3.37Å; K74-Y76 HydrophobicContact CB-CE2 4.25Å; Y76-K145 VanDerWaalsContact O-CA 3.32Å; Y76-K145 WeakPolarHBondContact O-CA 3.3Å; Y76-F146 HydrophobicContact CD2-CD2 4Å; Y76-F146 AromaticContact CD2-CE2 3.63Å; Y76-F146 HydrophobicContact CD2-CE2 3.63Å; Y76-F146 HydrophobicContact CD2-CZ 4.05Å; Y76-F146 HydrophobicContact CG-CE1 4.37Å; Y76-F146 AromaticContact CG-CE2 4Å; Y76-F146 HydrophobicContact CG-CE2 4Å; Y76-F146 AromaticContact CG-CZ 3.92Å; Y76-F146 HydrophobicContact CG-CZ 3.92Å; Y76-F146 PolarHBondContact N-O 3.18Å; Y76-F146 PolarHBondContact O-N 2.68Å; Y76-F146 VanDerWaalsContact O-N 3.07Å; Y76-D299 HydrophobicContact CE1-CB 4.07Å; Y76-D299 PolarHBondContact OH-OD2 2.85Å |
| 77 | D | 98.2 | Very high | 95.7 | Very high | 13 Ų | 13 | 51.4 Ų | 51.4 | 7% | 0.07 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 129.8 | 175.8 | -173.3 | -14.5 | 0 | 0 | 0 | 109.8 | L79 D80 V81 T144 K145 | D77-L79 PolarHBondContact O-N 2.8Å; D77-L79 WeakPolarHBondContact OD1-CB 3.49Å; D77-L79 PolarHBondContact OD1-N 3.12Å; D77-D80 HydrophobicContact CB-CB 4.37Å; D77-D80 WeakPolarHBondContact O-CB 3.48Å; D77-D80 PolarHBondContact O-N 3.23Å; D77-V81 PolarHBondContact O-N 3.1Å; D77-T144 VanDerWaalsContact OD1-CB 3.27Å; D77-T144 WeakPolarHBondContact OD1-CB 2.98Å; D77-T144 PolarHBondContact OD1-OG1 2.85Å; D77-K145 HydrophobicContact CB-CD 3.78Å; D77-K145 VanDerWaalsContact CG-NZ 3.32Å; D77-K145 IonicContact OD2-NZ 2.62Å; D77-K145 PolarHBondContact OD2-NZ 2.91Å |
| 78 | L | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.5 | -30.8 | 175.3 | -66.6 | 166.2 | 0 | 0 | 0 | 112.1 | D80 V81 F82 V92 M109 I111 I113 T144 F146 M152 | L78-D80 VanDerWaalsContact C-N 3.32Å; L78-D80 PolarHBondContact O-N 3.24Å; L78-V81 WeakPolarHBondContact O-CA 3.32Å; L78-V81 VanDerWaalsContact O-CB 3.31Å; L78-V81 WeakPolarHBondContact O-CB 3.41Å; L78-V81 PolarHBondContact O-N 3.37Å; L78-V81 VanDerWaalsContact O-N 3.09Å; L78-F82 VanDerWaalsContact O-CD2 3.3Å; L78-F82 WeakPolarHBondContact O-CD2 3.32Å; L78-F82 PolarHBondContact O-N 3.42Å; L78-V92 HydrophobicContact CD2-CG1 4.37Å; L78-M109 HydrophobicContact CD1-CE 3.79Å; L78-I111 HydrophobicContact CD1-CG2 3.93Å; L78-I111 HydrophobicContact CD2-CD1 4.18Å; L78-I111 HydrophobicContact CD2-CG2 3.92Å; L78-I113 HydrophobicContact CB-CD1 4.45Å; L78-I113 HydrophobicContact CD1-CD1 4.31Å; L78-I113 HydrophobicContact CD1-CG2 3.99Å; L78-T144 WeakPolarHBondContact CG-O 3.41Å; L78-T144 PolarHBondContact N-O 3.36Å; L78-F146 HydrophobicContact CD2-CD1 4.09Å; L78-F146 HydrophobicContact CD2-CE1 3.93Å; L78-F146 HydrophobicContact CG-CD1 4.01Å; L78-F146 HydrophobicContact CG-CE1 4.17Å; L78-M152 HydrophobicContact CD2-CE 4.07Å; L78-M152 HydrophobicContact CD2-SD 3.68Å |
| 79 | L | 96.4 | Very high | 95.7 | Very high | 32 Ų | 32 | 53.3 Ų | 53.3 | 17% | 0.168 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67 | -31.6 | 174.4 | -69.3 | 179 | 0 | 0 | 0 | 113 | D77 V81 F82 R83 V120 T144 | D77-L79 PolarHBondContact O-N 2.8Å; D77-L79 WeakPolarHBondContact OD1-CB 3.49Å; D77-L79 PolarHBondContact OD1-N 3.12Å; L79-V81 VanDerWaalsContact C-N 3.27Å; L79-F82 PolarHBondContact O-N 2.9Å; L79-R83 WeakPolarHBondContact O-CG 3.49Å; L79-R83 PolarHBondContact O-N 3.49Å; L79-R83 VanDerWaalsContact O-N 3.13Å; L79-V120 HydrophobicContact CD1-CG2 4.38Å; L79-V120 HydrophobicContact CD2-CG2 3.62Å; L79-V120 HydrophobicContact CG-CG2 4.31Å; L79-T144 HydrophobicContact CD1-CG2 4.47Å; L79-T144 HydrophobicContact CG-CG2 4.29Å |
| 80 | D | 96.5 | Very high | 95.7 | Very high | 75 Ų | 75 | 49.4 Ų | 49.4 | 40% | 0.401 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.3 | -31.3 | 170.9 | -77 | -46.1 | 0 | 0 | 0 | 111.3 | D77 L78 R83 S84 | D77-D80 HydrophobicContact CB-CB 4.37Å; D77-D80 WeakPolarHBondContact O-CB 3.48Å; D77-D80 PolarHBondContact O-N 3.23Å; L78-D80 VanDerWaalsContact C-N 3.32Å; L78-D80 PolarHBondContact O-N 3.24Å; D80-R83 VanDerWaalsContact CG-NH2 3.27Å; D80-R83 IonicContact OD1-CZ 3.61Å; D80-R83 VanDerWaalsContact OD1-CZ 3.27Å; D80-R83 IonicContact OD1-NE 2.92Å; D80-R83 PolarHBondContact OD1-NE 3Å; D80-R83 IonicContact OD1-NH2 3.4Å; D80-R83 PolarHBondContact OD1-NH2 2.67Å; D80-R83 IonicContact OD2-NH2 3.21Å; D80-S84 WeakPolarHBondContact O-CB 3.22Å; D80-S84 PolarHBondContact O-N 3.22Å; D80-S84 PolarHBondContact O-OG 2.84Å |
| 81 | V | 97 | Very high | 95.8 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.8 | -45.9 | 174.7 | -171.3 | 0 | 0 | 0 | 0 | 110.6 | C58 V60 D77 L78 L79 R83 S84 A85 F146 M152 M154 | C58-V81 HydrophobicContact CB-CG1 3.7Å; V60-V81 HydrophobicContact CG2-CG2 3.91Å; D77-V81 PolarHBondContact O-N 3.1Å; L78-V81 WeakPolarHBondContact O-CA 3.32Å; L78-V81 VanDerWaalsContact O-CB 3.31Å; L78-V81 WeakPolarHBondContact O-CB 3.41Å; L78-V81 PolarHBondContact O-N 3.37Å; L78-V81 VanDerWaalsContact O-N 3.09Å; L79-V81 VanDerWaalsContact C-N 3.27Å; V81-R83 PolarHBondContact O-N 3.42Å; V81-S84 PolarHBondContact O-N 2.84Å; V81-A85 WeakPolarHBondContact O-CB 3Å; V81-A85 PolarHBondContact O-N 3.47Å; V81-F146 HydrophobicContact CG2-CE1 4.33Å; V81-F146 HydrophobicContact CG2-CZ 4.43Å; V81-M152 HydrophobicContact CG1-SD 4.2Å; V81-M154 HydrophobicContact CB-CE 4.38Å; V81-M154 HydrophobicContact CG1-CE 3.85Å |
| 82 | F | 95.4 | Very high | 95.9 | Very high | 7 Ų | 7 | 45 Ų | 45 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.2 | -49.4 | 173.4 | -83.6 | -81.7 | 0 | 0 | 0 | 111.9 | L78 L79 S84 A85 G86 V87 V92 I113 M154 | L78-F82 VanDerWaalsContact O-CD2 3.3Å; L78-F82 WeakPolarHBondContact O-CD2 3.32Å; L78-F82 PolarHBondContact O-N 3.42Å; L79-F82 PolarHBondContact O-N 2.9Å; F82-S84 PolarHBondContact O-N 3.4Å; F82-A85 PolarHBondContact O-N 3.01Å; F82-G86 PolarHBondContact O-N 3.32Å; F82-G86 VanDerWaalsContact O-N 3.15Å; F82-V87 HydrophobicContact CD1-CB 4.24Å; F82-V87 HydrophobicContact CD1-CG1 4.07Å; F82-V87 HydrophobicContact CE1-CG1 4.35Å; F82-V87 PolarHBondContact O-N 2.83Å; F82-V87 VanDerWaalsContact O-N 3.07Å; F82-V92 HydrophobicContact CD2-CG2 4.28Å; F82-V92 HydrophobicContact CE1-CG2 4.07Å; F82-V92 HydrophobicContact CE2-CB 4.33Å; F82-V92 HydrophobicContact CE2-CG2 3.61Å; F82-V92 HydrophobicContact CZ-CB 4.28Å; F82-V92 HydrophobicContact CZ-CG2 3.5Å; F82-V92 VanDerWaalsContact CZ-CG2 3.5Å; F82-I113 HydrophobicContact CE2-CG2 4.17Å; F82-M154 HydrophobicContact CB-CE 4.33Å; F82-M154 HydrophobicContact CD1-CE 3.84Å; F82-M154 HydrophobicContact CD1-SD 4.24Å; F82-M154 HydrophobicContact CD2-CE 4.27Å; F82-M154 HydrophobicContact CE1-CE 4.21Å; F82-M154 HydrophobicContact CG-CE 3.88Å |
| 83 | R | 95.2 | Very high | 96 | Very high | 150 Ų | 150 | 40 Ų | 40 | 57% | 0.566 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -59.6 | -45.6 | 176.7 | -74.2 | -173 | -75 | -88.8 | 9.4 | 112.2 | L79 D80 V81 A85 G86 | L79-R83 WeakPolarHBondContact O-CG 3.49Å; L79-R83 PolarHBondContact O-N 3.49Å; L79-R83 VanDerWaalsContact O-N 3.13Å; D80-R83 VanDerWaalsContact CG-NH2 3.27Å; D80-R83 IonicContact OD1-CZ 3.61Å; D80-R83 VanDerWaalsContact OD1-CZ 3.27Å; D80-R83 IonicContact OD1-NE 2.92Å; D80-R83 PolarHBondContact OD1-NE 3Å; D80-R83 IonicContact OD1-NH2 3.4Å; D80-R83 PolarHBondContact OD1-NH2 2.67Å; D80-R83 IonicContact OD2-NH2 3.21Å; V81-R83 PolarHBondContact O-N 3.42Å; R83-A85 VanDerWaalsContact C-N 3.3Å; R83-A85 PolarHBondContact O-N 3.26Å; R83-G86 PolarHBondContact O-N 3.5Å; R83-G86 VanDerWaalsContact O-N 3.09Å |
| 84 | S | 95.5 | Very high | 96.1 | Very high | 45 Ų | 45 | 34.3 Ų | 34.3 | 32% | 0.315 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.7 | -32.6 | -178.6 | -63.8 | 0 | 0 | 0 | 0 | 112.8 | D80 V81 F82 G86 | D80-S84 WeakPolarHBondContact O-CB 3.22Å; D80-S84 PolarHBondContact O-N 3.22Å; D80-S84 PolarHBondContact O-OG 2.84Å; V81-S84 PolarHBondContact O-N 2.84Å; F82-S84 PolarHBondContact O-N 3.4Å; S84-G86 VanDerWaalsContact C-N 3.31Å |
| 85 | A | 93.8 | Very high | 96.1 | Very high | 26 Ų | 26 | 32.4 Ų | 32.4 | 22% | 0.215 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -80.5 | -10.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V81 F82 R83 V87 M154 L296 | V81-A85 WeakPolarHBondContact O-CB 3Å; V81-A85 PolarHBondContact O-N 3.47Å; F82-A85 PolarHBondContact O-N 3.01Å; R83-A85 VanDerWaalsContact C-N 3.3Å; R83-A85 PolarHBondContact O-N 3.26Å; A85-V87 VanDerWaalsContact C-N 3.28Å; A85-V87 HydrophobicContact CB-CG2 3.99Å; A85-V87 PolarHBondContact O-N 3.42Å; A85-M154 HydrophobicContact CB-CE 4.14Å; A85-M154 HydrophobicContact CB-SD 3.38Å; A85-M154 WeakPolarHBondContact CB-SD 3.1Å; A85-L296 HydrophobicContact CB-CD2 3.89Å |
| 86 | G | 91.7 | Very high | 96.1 | Very high | 68 Ų | 68 | 28.6 Ų | 28.6 | 70% | 0.701 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71 | 21.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F82 R83 S84 | F82-G86 PolarHBondContact O-N 3.32Å; F82-G86 VanDerWaalsContact O-N 3.15Å; R83-G86 PolarHBondContact O-N 3.5Å; R83-G86 VanDerWaalsContact O-N 3.09Å; S84-G86 VanDerWaalsContact C-N 3.31Å |
| 87 | V | 90.9 | Very high | 96.1 | Very high | 31 Ų | 31 | 27.3 Ų | 27.3 | 19% | 0.188 | 18% | 0.176 | C | C | . | . | trans | -97.9 | 110.3 | -177.1 | 177.5 | 0 | 0 | 0 | 0 | 109.6 | F82 A85 A89 M154 | F82-V87 HydrophobicContact CD1-CB 4.24Å; F82-V87 HydrophobicContact CD1-CG1 4.07Å; F82-V87 HydrophobicContact CE1-CG1 4.35Å; F82-V87 PolarHBondContact O-N 2.83Å; F82-V87 VanDerWaalsContact O-N 3.07Å; A85-V87 VanDerWaalsContact C-N 3.28Å; A85-V87 HydrophobicContact CB-CG2 3.99Å; A85-V87 PolarHBondContact O-N 3.42Å; V87-A89 WeakPolarHBondContact CG1-O 3.21Å; V87-M154 HydrophobicContact CB-SD 3.74Å; V87-M154 HydrophobicContact CG1-SD 4.25Å; V87-M154 HydrophobicContact CG2-CG 4.31Å; V87-M154 HydrophobicContact CG2-SD 3.55Å; V87-M154 VanDerWaalsContact CG2-SD 3.55Å | ||
| 88 | A | 90.1 | Very high | 96.1 | Very high | 62 Ų | 62 | 26.7 Ų | 26.7 | 51% | 0.512 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -79.5 | -30.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N117 | A88-N117 PolarHBondContact O-N 2.67Š|
| 89 | A | 95 | Very high | 96.1 | Very high | 44 Ų | 44 | 26.7 Ų | 26.7 | 36% | 0.364 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 128 | 179 | 0 | 0 | 0 | 0 | 0 | 110.7 | V87 S115 E116 | V87-A89 WeakPolarHBondContact CG1-O 3.21Å; A89-S115 CarbonylContact C-O 3.52Å; A89-S115 VanDerWaalsContact CA-O 3.24Å; A89-S115 WeakPolarHBondContact CA-O 3.22Å; A89-E116 HydrophobicContact CB-CB 4.39Å; A89-E116 HydrophobicContact CB-CG 4.13Å |
| 90 | G | 96.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170 | -170.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L48 S114 S115 C155 | L48-G90 VanDerWaalsContact CD1-C 3.48Å; G90-S114 CarbonylContact O-C 3.48Å; G90-S114 WeakPolarHBondContact O-CA 3.34Å; G90-S114 WeakPolarHBondContact O-CB 3.43Å; G90-S115 PolarHBondContact N-O 2.83Å; G90-S115 PolarHBondContact O-N 3.13Å; G90-C155 CarbonylContact C-O 3.55Å; G90-C155 WeakPolarHBondContact CA-O 3.43Å |
| 91 | A | 96.9 | Very high | 96.2 | Very high | 7 Ų | 7 | 26.3 Ų | 26.3 | 6% | 0.058 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 152.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L48 I113 M154 C155 | L48-A91 HydrophobicContact CB-CB 4.03Å; L48-A91 HydrophobicContact CD1-CB 3.63Å; L48-A91 HydrophobicContact CG-CB 3.88Å; A91-I113 CarbonylContact C-O 3.5Å; A91-I113 VanDerWaalsContact CA-O 3.28Å; A91-I113 WeakPolarHBondContact CA-O 3.38Å; A91-M154 CarbonylContact O-C 3.54Å; A91-M154 VanDerWaalsContact O-CA 3.27Å; A91-M154 WeakPolarHBondContact O-CA 3.35Å; A91-C155 PolarHBondContact N-O 3.21Å; A91-C155 PolarHBondContact O-N 2.74Å |
| 92 | V | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 124.2 | 170.2 | 176 | 0 | 0 | 0 | 0 | 107.7 | L78 F82 I111 I113 M152 F153 M154 | L78-V92 HydrophobicContact CD2-CG1 4.37Å; F82-V92 HydrophobicContact CD2-CG2 4.28Å; F82-V92 HydrophobicContact CE1-CG2 4.07Å; F82-V92 HydrophobicContact CE2-CB 4.33Å; F82-V92 HydrophobicContact CE2-CG2 3.61Å; F82-V92 HydrophobicContact CZ-CB 4.28Å; F82-V92 HydrophobicContact CZ-CG2 3.5Å; F82-V92 VanDerWaalsContact CZ-CG2 3.5Å; V92-I111 HydrophobicContact CB-CG2 4.43Å; V92-I111 HydrophobicContact CG1-CG2 3.74Å; V92-I113 HydrophobicContact CB-CG2 3.76Å; V92-I113 PolarHBondContact N-O 3.19Å; V92-I113 PolarHBondContact O-N 2.81Å; V92-M152 HydrophobicContact CG1-CB 3.63Å; V92-M152 HydrophobicContact CG1-CG 3.51Å; V92-M152 HydrophobicContact CG1-SD 3.3Å; V92-M152 WeakPolarHBondContact CG1-SD 3.34Å; V92-F153 WeakPolarHBondContact CA-O 3.27Å; V92-M154 HydrophobicContact CG2-CB 3.99Å; V92-M154 HydrophobicContact CG2-CE 3.27Å; V92-M154 HydrophobicContact CG2-CG 3.86Å; V92-M154 HydrophobicContact CG2-SD 4.4Å |
| 93 | I | 98.7 | Very high | 96.2 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 144.2 | 176.1 | 63.1 | 174.6 | 0 | 0 | 0 | 110.4 | L46 L51 I111 M152 F153 V243 | L46-I93 HydrophobicContact CD1-CD1 4.33Å; L46-I93 HydrophobicContact CD1-CG2 4.3Å; L46-I93 HydrophobicContact CD2-CG2 4.43Å; L51-I93 HydrophobicContact CD2-CD1 3.76Å; I93-I111 CarbonylContact C-O 3.57Å; I93-I111 VanDerWaalsContact CA-O 3.23Å; I93-I111 WeakPolarHBondContact CA-O 3.46Å; I93-M152 CarbonylContact O-C 3.57Å; I93-M152 WeakPolarHBondContact O-CA 3.42Å; I93-M152 WeakPolarHBondContact O-CB 3.42Å; I93-F153 HydrophobicContact CG1-CB 4.2Å; I93-F153 HydrophobicContact CG1-CD1 4.44Å; I93-F153 PolarHBondContact N-O 3.33Å; I93-F153 PolarHBondContact O-N 3.13Å; I93-V243 HydrophobicContact CB-CB 3.99Å; I93-V243 HydrophobicContact CB-CG1 4.21Å; I93-V243 HydrophobicContact CB-CG2 4.38Å; I93-V243 HydrophobicContact CD1-CB 4.36Å; I93-V243 HydrophobicContact CD1-CG1 4.21Å; I93-V243 HydrophobicContact CG1-CB 4.42Å |
| 94 | G | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.3 | -143.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | I111 | G94-I111 PolarHBondContact N-O 3.09Å; G94-I111 PolarHBondContact O-N 2.84Å |
| 95 | A | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 145.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I111 G150 Q151 H260 H262 | A95-I111 WeakPolarHBondContact O-CD1 3.35Å; A95-G150 CarbonylContact O-C 3.54Å; A95-G150 WeakPolarHBondContact O-CA 3.16Å; A95-Q151 PolarHBondContact N-O 3.36Å; A95-Q151 PolarHBondContact O-N 2.82Å; A95-Q151 VanDerWaalsContact O-O 3.11Å; A95-H260 WeakPolarHBondContact CB-CD2 3.38Å; A95-H260 VanDerWaalsContact CB-NE2 3.29Å; A95-H260 WeakPolarHBondContact CB-NE2 3.44Å; A95-H262 HydrophobicContact CB-CB 3.99Å; A95-H262 WeakPolarHBondContact CB-CD2 3.28Å |
| 96 | G | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | -178.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M109 L149 H262 | G96-M109 PolarHBondContact N-O 2.95Å; G96-M109 WeakPolarHBondContact O-CA 3.11Å; G96-M109 WeakPolarHBondContact O-CB 3.49Å; G96-M109 PolarHBondContact O-N 2.73Å; G96-L149 VanDerWaalsContact CA-O 3.29Å; G96-L149 WeakPolarHBondContact CA-O 3.35Å; G96-H262 PolarHBondContact O-CE1 3.38Å; G96-H262 VanDerWaalsContact O-CE1 3.26Å |
| 97 | A | 98.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 134.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | S107 F146 A147 L149 | A97-S107 WeakPolarHBondContact CA-O 3.48Å; A97-F146 WeakPolarHBondContact O-CB 3.26Å; A97-A147 WeakPolarHBondContact CB-O 3.38Å; A97-A147 PolarHBondContact O-N 2.88Å; A97-L149 PolarHBondContact N-O 3.48Å |
| 98 | G | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -65.5 | 161.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F100 S107 | G98-F100 VanDerWaalsContact C-N 3.3Å; G98-F100 PolarHBondContact O-N 3.01Å; G98-S107 WeakPolarHBondContact CA-OG 3.37Å; G98-S107 PolarHBondContact N-O 2.77Å | ||
| 99 | P | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -78.6 | 74.5 | -173.6 | 33 | -34.9 | 0 | 0 | 0 | 111.5 | F101 L102 T103 F126 K145 | P99-F101 HydrophobicContact CB-CD1 4.19Å; P99-F101 HydrophobicContact CB-CE1 3.67Å; P99-F101 HydrophobicContact CB-CZ 4Å; P99-F101 PolarHBondContact O-N 3.5Å; P99-L102 HydrophobicContact CB-CB 4.4Å; P99-L102 HydrophobicContact CB-CD1 4.22Å; P99-L102 HydrophobicContact CB-CG 4.37Å; P99-L102 PolarHBondContact O-N 2.95Å; P99-T103 HydrophobicContact CG-CG2 4.28Å; P99-T103 PolarHBondContact O-N 2.96Å; P99-T103 PolarHBondContact O-OG1 2.67Å; P99-F126 VanDerWaalsContact CD-CE1 3.45Å; P99-F126 HydrophobicContact CG-CE1 4.31Å; P99-F126 HydrophobicContact CG-CE2 4.23Å; P99-F126 HydrophobicContact CG-CZ 3.75Å; P99-K145 HydrophobicContact CB-CB 3.96Å; P99-K145 WeakPolarHBondContact CD-O 3.47Å; P99-K145 WeakPolarHBondContact CG-O 3.06Å | ||
| 100 | F | 97.6 | Very high | 97.4 | Very high | 24 Ų | 24 | 18.7 Ų | 18.7 | 11% | 0.105 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -54 | -26.8 | -179.6 | 62.6 | -99.1 | 0 | 0 | 0 | 113.8 | K72 H75 G98 L102 T103 G104 S105 A147 L148 F216 | K72-F100 HydrophobicContact CB-CE2 3.91Å; K72-F100 HydrophobicContact CB-CZ 3.86Å; K72-F100 HydrophobicContact CD-CE2 4.46Å; K72-F100 HydrophobicContact CG-CE2 4.2Å; K72-F100 HydrophobicContact CG-CZ 4.16Å; H75-F100 AromaticContact NE2-CE2 3.96Å; H75-F100 AromaticContact NE2-CZ 3.8Å; G98-F100 VanDerWaalsContact C-N 3.3Å; G98-F100 PolarHBondContact O-N 3.01Å; F100-L102 PolarHBondContact O-N 2.86Å; F100-T103 WeakPolarHBondContact CA-OG1 3.15Å; F100-G104 VanDerWaalsContact O-CA 3.27Å; F100-G104 WeakPolarHBondContact O-CA 3.26Å; F100-G104 PolarHBondContact O-N 3.3Å; F100-S105 WeakPolarHBondContact CA-O 3.39Å; F100-S105 WeakPolarHBondContact CB-O 3.32Å; F100-A147 HydrophobicContact CD1-CB 3.8Å; F100-A147 HydrophobicContact CE1-CB 3.35Å; F100-A147 HydrophobicContact CZ-CB 4.13Å; F100-L148 HydrophobicContact CE1-CD1 4.24Å; F100-L148 HydrophobicContact CE1-CD2 4.02Å; F100-L148 HydrophobicContact CE1-CG 3.96Å; F100-L148 HydrophobicContact CZ-CD2 4.41Å; F100-F216 HydrophobicContact CB-CE2 4.08Å; F100-F216 HydrophobicContact CB-CZ 4.47Å; F100-F216 AromaticContact CD1-CE2 3.73Å; F100-F216 HydrophobicContact CD1-CE2 3.73Å; F100-F216 AromaticContact CD1-CZ 3.47Å; F100-F216 HydrophobicContact CD1-CZ 3.47Å; F100-F216 VanDerWaalsContact CD1-CZ 3.47Å; F100-F216 AromaticContact CD2-CE2 3.9Å; F100-F216 HydrophobicContact CD2-CE2 3.9Å; F100-F216 HydrophobicContact CD2-CZ 4.44Å; F100-F216 HydrophobicContact CE1-CE2 4.14Å; F100-F216 AromaticContact CE1-CZ 3.73Å; F100-F216 HydrophobicContact CE1-CZ 3.73Å; F100-F216 HydrophobicContact CE2-CE2 4.35Å; F100-F216 AromaticContact CG-CE2 3.61Å; F100-F216 HydrophobicContact CG-CE2 3.61Å; F100-F216 AromaticContact CG-CZ 3.87Å; F100-F216 HydrophobicContact CG-CZ 3.87Å; F100-F216 HydrophobicContact CZ-CE2 4.47Å; F100-F216 HydrophobicContact CZ-CZ 4.38Å |
| 101 | F | 97.5 | Very high | 97.5 | Very high | 75 Ų | 75 | 18.6 Ų | 18.6 | 33% | 0.329 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -72.4 | -12.7 | 177.3 | 64 | -86.9 | 0 | 0 | 0 | 113.5 | H75 P99 K145 A147 | H75-F101 HydrophobicContact CB-CD1 4.4Å; H75-F101 HydrophobicContact CB-CE1 3.81Å; H75-F101 HydrophobicContact CB-CZ 3.86Å; H75-F101 AromaticContact CD2-CD1 3.18Å; H75-F101 WeakPolarHBondContact CD2-CD1 3.3Å; H75-F101 AromaticContact CD2-CE1 3.44Å; H75-F101 VanDerWaalsContact CD2-CE1 3.44Å; H75-F101 WeakPolarHBondContact CD2-CE1 3.38Å; H75-F101 AromaticContact CD2-CG 3.81Å; H75-F101 AromaticContact CE1-CD1 3.79Å; H75-F101 AromaticContact CE1-CG 3.56Å; H75-F101 AromaticContact CG-CD1 3.64Å; H75-F101 AromaticContact CG-CE1 3.55Å; H75-F101 AromaticContact CG-CZ 3.87Å; H75-F101 AromaticContact ND1-CD1 3.98Å; H75-F101 AromaticContact ND1-CG 3.9Å; H75-F101 AromaticContact NE2-CD1 3.29Å; H75-F101 VanDerWaalsContact NE2-CD1 3.29Å; H75-F101 WeakPolarHBondContact NE2-CD1 3.25Å; H75-F101 AromaticContact NE2-CG 3.49Å; H75-F101 WeakPolarHBondContact NE2-CG 3.35Å; P99-F101 HydrophobicContact CB-CD1 4.19Å; P99-F101 HydrophobicContact CB-CE1 3.67Å; P99-F101 HydrophobicContact CB-CZ 4Å; P99-F101 PolarHBondContact O-N 3.5Å; F101-K145 HydrophobicContact CZ-CB 3.8Å; F101-K145 HydrophobicContact CZ-CG 4.32Å; F101-A147 HydrophobicContact CD1-CB 4.3Å; F101-A147 HydrophobicContact CE1-CB 4.16Å |
| 102 | L | 97.5 | Very high | 97.6 | Very high | 97 Ų | 97 | 18.3 Ų | 18.3 | 51% | 0.508 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -107.9 | -41.9 | 172.6 | -60.8 | -179.7 | 0 | 0 | 0 | 111.7 | P99 F100 K145 | P99-L102 HydrophobicContact CB-CB 4.4Å; P99-L102 HydrophobicContact CB-CD1 4.22Å; P99-L102 HydrophobicContact CB-CG 4.37Å; P99-L102 PolarHBondContact O-N 2.95Å; F100-L102 PolarHBondContact O-N 2.86Å; L102-K145 HydrophobicContact CD1-CB 4.05Å; L102-K145 HydrophobicContact CD1-CG 3.87Å |
| 103 | T | 95.3 | Very high | 97.6 | Very high | 58 Ų | 58 | 18.3 Ų | 18.3 | 36% | 0.356 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -81 | -19.3 | -176.8 | 60.3 | 0 | 0 | 0 | 0 | 113.1 | P99 F100 S105 F126 | P99-T103 HydrophobicContact CG-CG2 4.28Å; P99-T103 PolarHBondContact O-N 2.96Å; P99-T103 PolarHBondContact O-OG1 2.67Å; F100-T103 WeakPolarHBondContact CA-OG1 3.15Å; T103-S105 PolarHBondContact O-N 3.43Å; T103-S105 PolarHBondContact OG1-N 3.11Å; T103-S105 PolarHBondContact OG1-O 3.24Å; T103-F126 HydrophobicContact CG2-CD2 4.2Å; T103-F126 HydrophobicContact CG2-CE2 4.15Å |
| 104 | G | 94.3 | Very high | 97.6 | Very high | 57 Ų | 57 | 18.7 Ų | 18.7 | 59% | 0.588 | 12% | 0.115 | S | C | * | . | S | Bend | trans | 77.6 | -3.2 | -172 | 0 | 0 | 0 | 0 | 0 | 114.3 | F100 | F100-G104 VanDerWaalsContact O-CA 3.27Å; F100-G104 WeakPolarHBondContact O-CA 3.26Å; F100-G104 PolarHBondContact O-N 3.3Å |
| 105 | S | 93.9 | Very high | 97.5 | Very high | 45 Ų | 45 | 19 Ų | 19 | 32% | 0.315 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -137 | 142 | -176.6 | -69.8 | 0 | 0 | 0 | 0 | 113.3 | F100 T103 E215 | F100-S105 WeakPolarHBondContact CA-O 3.39Å; F100-S105 WeakPolarHBondContact CB-O 3.32Å; T103-S105 PolarHBondContact O-N 3.43Å; T103-S105 PolarHBondContact OG1-N 3.11Å; T103-S105 PolarHBondContact OG1-O 3.24Å; S105-E215 WeakPolarHBondContact CA-OE1 3.48Å; S105-E215 WeakPolarHBondContact CB-OE1 3.41Å; S105-E215 PolarHBondContact OG-OE1 2.97Å |
| 106 | N | 96.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | trans | -67.1 | 142.2 | 171.6 | -171.9 | 31.7 | 0 | 0 | 0 | 111.1 | L213 P214 F216 W230 | N106-L213 WeakPolarHBondContact ND2-CB 3.28Å; N106-P214 WeakPolarHBondContact CB-O 3.43Å; N106-P214 PolarHBondContact ND2-O 2.83Å; N106-F216 HydrophobicContact CB-CD1 4.44Å; N106-F216 HydrophobicContact CB-CD2 4.13Å; N106-F216 HydrophobicContact CB-CE1 4.23Å; N106-F216 HydrophobicContact CB-CE2 3.92Å; N106-F216 HydrophobicContact CB-CG 4.41Å; N106-F216 HydrophobicContact CB-CZ 3.98Å; N106-F216 WeakPolarHBondContact OD1-CE1 3.3Å; N106-F216 WeakPolarHBondContact OD1-CZ 3.39Å; N106-W230 WeakPolarHBondContact ND2-CZ2 3.09Å | ||
| 107 | S | 98 | Very high | 97 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | trans | -159.5 | 151.5 | -175 | 48.4 | 0 | 0 | 0 | 0 | 112 | A97 G98 G127 | A97-S107 WeakPolarHBondContact CA-O 3.48Å; G98-S107 WeakPolarHBondContact CA-OG 3.37Å; G98-S107 PolarHBondContact N-O 2.77Å; S107-G127 WeakPolarHBondContact CA-O 3.46Å | ||
| 108 | E | 98.2 | Very high | 96.6 | Very high | 15 Ų | 15 | 33.2 Ų | 33.2 | 7% | 0.07 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 148.2 | 159.6 | -62.7 | -59.1 | 171.8 | 0 | 0 | 109.4 | F126 G127 H211 L213 H262 H273 | E108-F126 CarbonylContact O-C 3.49Å; E108-F126 VanDerWaalsContact O-CA 3.23Å; E108-F126 WeakPolarHBondContact O-CA 3.46Å; E108-G127 PolarHBondContact N-O 2.94Å; E108-G127 PolarHBondContact O-N 3.47Å; E108-H211 IonicContact OE1-CD2 3.83Å; E108-H211 IonicContact OE1-NE2 3.03Å; E108-H211 PolarHBondContact OE1-NE2 3Å; E108-L213 HydrophobicContact CG-CD1 4.42Å; E108-L213 HydrophobicContact CG-CG 3.94Å; E108-L213 VanDerWaalsContact OE1-CD2 3.24Å; E108-L213 WeakPolarHBondContact OE1-CD2 3.25Å; E108-L213 WeakPolarHBondContact OE1-CG 3.38Å; E108-H262 IonicContact OE2-CE1 3.02Å; E108-H262 PolarHBondContact OE2-CE1 2.98Å; E108-H262 IonicContact OE2-ND1 3.26Å; E108-H262 IonicContact OE2-NE2 3.91Å; E108-H262 PolarHBondContact OE2-NE2 3.25Å; E108-H273 HydrophobicContact CG-CB 4.24Å |
| 109 | M | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 120.1 | 174.5 | -178.9 | 179 | -172.9 | 0 | 0 | 110.2 | L78 G96 I111 L125 F126 F146 H262 | L78-M109 HydrophobicContact CD1-CE 3.79Å; G96-M109 PolarHBondContact N-O 2.95Å; G96-M109 WeakPolarHBondContact O-CA 3.11Å; G96-M109 WeakPolarHBondContact O-CB 3.49Å; G96-M109 PolarHBondContact O-N 2.73Å; M109-I111 HydrophobicContact CE-CG1 4.18Å; M109-I111 HydrophobicContact CG-CG1 3.97Å; M109-I111 HydrophobicContact SD-CG1 3.98Å; M109-L125 CarbonylContact C-O 3.58Å; M109-L125 VanDerWaalsContact CA-O 3.31Å; M109-L125 WeakPolarHBondContact CA-O 3.22Å; M109-F126 HydrophobicContact CB-CD1 4.01Å; M109-F126 HydrophobicContact CB-CE1 4.25Å; M109-F126 HydrophobicContact CE-CE1 3.92Å; M109-F126 HydrophobicContact CG-CD1 3.84Å; M109-F126 HydrophobicContact CG-CE1 3.71Å; M109-F126 HydrophobicContact SD-CD1 4.47Å; M109-F126 HydrophobicContact SD-CE1 3.79Å; M109-F146 HydrophobicContact SD-CB 3.73Å; M109-H262 PolarHBondContact O-ND1 3.44Å |
| 110 | V | 98.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 113.5 | 159.9 | -179.5 | 0 | 0 | 0 | 0 | 106.6 | S124 L125 V243 H262 C263 F264 C271 | V110-S124 CarbonylContact O-C 3.54Å; V110-S124 WeakPolarHBondContact O-CA 3.3Å; V110-S124 WeakPolarHBondContact O-CB 3.24Å; V110-L125 HydrophobicContact CB-CB 4.23Å; V110-L125 PolarHBondContact N-O 2.78Å; V110-L125 PolarHBondContact O-N 3.08Å; V110-V243 HydrophobicContact CG1-CG2 3.74Å; V110-H262 HydrophobicContact CG2-CB 3.89Å; V110-C263 WeakPolarHBondContact CG2-O 3.38Å; V110-F264 HydrophobicContact CG1-CD1 3.75Å; V110-F264 HydrophobicContact CG1-CE1 4Å; V110-F264 HydrophobicContact CG2-CD1 4.33Å; V110-C271 HydrophobicContact CG2-CB 3.89Å |
| 111 | I | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 122.9 | 176.7 | -58.2 | 168.8 | 0 | 0 | 0 | 107.7 | L78 V92 I93 G94 A95 M109 I113 M152 | L78-I111 HydrophobicContact CD1-CG2 3.93Å; L78-I111 HydrophobicContact CD2-CD1 4.18Å; L78-I111 HydrophobicContact CD2-CG2 3.92Å; V92-I111 HydrophobicContact CB-CG2 4.43Å; V92-I111 HydrophobicContact CG1-CG2 3.74Å; I93-I111 CarbonylContact C-O 3.57Å; I93-I111 VanDerWaalsContact CA-O 3.23Å; I93-I111 WeakPolarHBondContact CA-O 3.46Å; G94-I111 PolarHBondContact N-O 3.09Å; G94-I111 PolarHBondContact O-N 2.84Å; A95-I111 WeakPolarHBondContact O-CD1 3.35Å; M109-I111 HydrophobicContact CE-CG1 4.18Å; M109-I111 HydrophobicContact CG-CG1 3.97Å; M109-I111 HydrophobicContact SD-CG1 3.98Å; I111-I113 HydrophobicContact CG2-CG2 4.22Å; I111-M152 HydrophobicContact CD1-CB 4.34Å; I111-M152 HydrophobicContact CD1-CE 3.61Å; I111-M152 HydrophobicContact CD1-SD 4.22Å |
| 112 | N | 98.5 | Very high | 96.4 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.011 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 87.3 | 175.1 | 175.3 | 25.3 | 0 | 0 | 0 | 108 | G45 L46 T47 G123 S124 | G45-N112 PolarHBondContact O-ND2 2.67Å; G45-N112 VanDerWaalsContact O-ND2 3.08Å; L46-N112 WeakPolarHBondContact CA-OD1 3.45Å; T47-N112 WeakPolarHBondContact CG2-O 3.15Å; T47-N112 PolarHBondContact N-OD1 2.88Å; T47-N112 PolarHBondContact OG1-OD1 2.74Å; N112-G123 PolarHBondContact ND2-O 3.33Å; N112-G123 CarbonylContact O-C 3.59Å; N112-G123 VanDerWaalsContact O-C 3.3Å; N112-G123 VanDerWaalsContact O-CA 3.31Å; N112-G123 WeakPolarHBondContact O-CA 3.46Å; N112-G123 PolarHBondContact O-N 2.89Å; N112-S124 PolarHBondContact N-OG 2.86Å; N112-S124 PolarHBondContact O-N 2.66Å; N112-S124 PolarHBondContact O-OG 2.85Å |
| 113 | I | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 145.5 | -175 | -172 | 169.7 | 0 | 0 | 0 | 109.7 | T47 L78 F82 A91 V92 I111 V120 K121 T144 | T47-I113 PolarHBondContact OG1-O 2.9Å; L78-I113 HydrophobicContact CB-CD1 4.45Å; L78-I113 HydrophobicContact CD1-CD1 4.31Å; L78-I113 HydrophobicContact CD1-CG2 3.99Å; F82-I113 HydrophobicContact CE2-CG2 4.17Å; A91-I113 CarbonylContact C-O 3.5Å; A91-I113 VanDerWaalsContact CA-O 3.28Å; A91-I113 WeakPolarHBondContact CA-O 3.38Å; V92-I113 HydrophobicContact CB-CG2 3.76Å; V92-I113 PolarHBondContact N-O 3.19Å; V92-I113 PolarHBondContact O-N 2.81Å; I111-I113 HydrophobicContact CG2-CG2 4.22Å; I113-V120 HydrophobicContact CD1-CB 4.48Å; I113-V120 HydrophobicContact CD1-CG1 3.46Å; I113-V120 VanDerWaalsContact CD1-CG1 3.46Å; I113-V120 HydrophobicContact CD1-CG2 4.18Å; I113-V120 HydrophobicContact CG1-CG1 3.66Å; I113-K121 WeakPolarHBondContact CA-O 3.24Å; I113-K121 WeakPolarHBondContact CG1-O 3.4Å; I113-T144 HydrophobicContact CD1-CG2 3.53Å |
| 114 | S | 97.7 | Very high | 96.6 | Very high | 12 Ų | 12 | 38 Ų | 38 | 8% | 0.084 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 148.3 | 164.2 | 67.3 | 0 | 0 | 0 | 0 | 110.5 | T47 G90 V120 K121 | T47-S114 WeakPolarHBondContact OG1-CB 3.5Å; T47-S114 PolarHBondContact OG1-N 2.93Å; G90-S114 CarbonylContact O-C 3.48Å; G90-S114 WeakPolarHBondContact O-CA 3.34Å; G90-S114 WeakPolarHBondContact O-CB 3.43Å; S114-V120 WeakPolarHBondContact O-CA 3.46Å; S114-K121 PolarHBondContact N-O 3.37Å; S114-K121 PolarHBondContact O-N 2.78Å |
| 115 | S | 96.7 | Very high | 96.8 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 5% | 0.049 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 141.1 | 173.6 | -168.5 | 0 | 0 | 0 | 0 | 110.6 | A89 G90 G118 V119 | A89-S115 CarbonylContact C-O 3.52Å; A89-S115 VanDerWaalsContact CA-O 3.24Å; A89-S115 WeakPolarHBondContact CA-O 3.22Å; G90-S115 PolarHBondContact N-O 2.83Å; G90-S115 PolarHBondContact O-N 3.13Å; S115-G118 WeakPolarHBondContact OG-CA 3.22Å; S115-G118 PolarHBondContact OG-N 2.78Å; S115-V119 CarbonylContact C-O 3.54Å; S115-V119 WeakPolarHBondContact CA-O 3.09Å; S115-V119 PolarHBondContact OG-O 2.73Å |
| 116 | E | 95.8 | Very high | 97 | Very high | 128 Ų | 128 | 33.4 Ų | 33.4 | 60% | 0.598 | 19% | 0.192 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 113.2 | 166.6 | -178.4 | 174.8 | -169.1 | 0 | 0 | 107.8 | A89 G118 V119 | A89-E116 HydrophobicContact CB-CB 4.39Å; A89-E116 HydrophobicContact CB-CG 4.13Å; E116-G118 PolarHBondContact O-N 3.19Å; E116-G118 VanDerWaalsContact O-N 3.13Å; E116-V119 PolarHBondContact N-O 3.33Å; E116-V119 WeakPolarHBondContact O-CB 3.24Å; E116-V119 PolarHBondContact O-N 3.39Å |
| 117 | N | 91.1 | Very high | 97 | Very high | 126 Ų | 126 | 33.3 Ų | 33.3 | 67% | 0.674 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 37.6 | -178.2 | -58.7 | -54.9 | 0 | 0 | 0 | 113.4 | A88 V119 | A88-N117 PolarHBondContact O-N 2.67Å; N117-V119 VanDerWaalsContact C-N 3.31Å; N117-V119 PolarHBondContact O-N 3.49Å |
| 118 | G | 89.5 | Confident | 97 | Very high | 48 Ų | 48 | 33.8 Ų | 33.8 | 50% | 0.495 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | -9.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S115 E116 | S115-G118 WeakPolarHBondContact OG-CA 3.22Å; S115-G118 PolarHBondContact OG-N 2.78Å; E116-G118 PolarHBondContact O-N 3.19Å; E116-G118 VanDerWaalsContact O-N 3.13Å |
| 119 | V | 94.6 | Very high | 97 | Very high | 113 Ų | 113 | 35.2 Ų | 35.2 | 69% | 0.685 | 20% | 0.2 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 126.8 | 169.9 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | S115 E116 N117 | S115-V119 CarbonylContact C-O 3.54Å; S115-V119 WeakPolarHBondContact CA-O 3.09Å; S115-V119 PolarHBondContact OG-O 2.73Å; E116-V119 PolarHBondContact N-O 3.33Å; E116-V119 WeakPolarHBondContact O-CB 3.24Å; E116-V119 PolarHBondContact O-N 3.39Å; N117-V119 VanDerWaalsContact C-N 3.31Å; N117-V119 PolarHBondContact O-N 3.49Å |
| 120 | V | 96.8 | Very high | 96.9 | Very high | 53 Ų | 53 | 36.7 Ų | 36.7 | 32% | 0.321 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 136.6 | -170.2 | 165.9 | 0 | 0 | 0 | 0 | 111.7 | L79 I113 S114 N122 T144 | L79-V120 HydrophobicContact CD1-CG2 4.38Å; L79-V120 HydrophobicContact CD2-CG2 3.62Å; L79-V120 HydrophobicContact CG-CG2 4.31Å; I113-V120 HydrophobicContact CD1-CB 4.48Å; I113-V120 HydrophobicContact CD1-CG1 3.46Å; I113-V120 VanDerWaalsContact CD1-CG1 3.46Å; I113-V120 HydrophobicContact CD1-CG2 4.18Å; I113-V120 HydrophobicContact CG1-CG1 3.66Å; S114-V120 WeakPolarHBondContact O-CA 3.46Å; V120-N122 HydrophobicContact CG1-CB 3.95Å; V120-T144 HydrophobicContact CG1-CG2 4.15Å; V120-T144 HydrophobicContact CG2-CG2 4.2Å |
| 121 | K | 97.8 | Very high | 96.6 | Very high | 115 Ų | 115 | 45 Ų | 45 | 50% | 0.5 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 119.5 | 156.5 | -177.1 | -176.9 | 175.1 | -169.7 | 0 | 107.8 | T47 I113 S114 | T47-K121 HydrophobicContact CG2-CD 4.44Å; T47-K121 HydrophobicContact CG2-CG 4.16Å; T47-K121 WeakPolarHBondContact CG2-O 3.49Å; T47-K121 PolarHBondContact O-NZ 2.95Å; I113-K121 WeakPolarHBondContact CA-O 3.24Å; I113-K121 WeakPolarHBondContact CG1-O 3.4Å; S114-K121 PolarHBondContact N-O 3.37Å; S114-K121 PolarHBondContact O-N 2.78Å |
| 122 | N | 97.8 | Very high | 96.4 | Very high | 47 Ų | 47 | 53.8 Ų | 53.8 | 25% | 0.251 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 117.5 | -174.7 | -163.6 | -4.2 | 0 | 0 | 0 | 110.8 | V120 S124 N143 | V120-N122 HydrophobicContact CG1-CB 3.95Å; N122-S124 WeakPolarHBondContact OD1-CB 3.25Å; N122-S124 PolarHBondContact OD1-N 3Å; N122-S124 PolarHBondContact OD1-OG 2.77Å; N122-N143 PolarHBondContact ND2-O 3.01Å |
| 123 | G | 97.7 | Very high | 96.3 | Very high | 23 Ų | 23 | 58.3 Ų | 58.3 | 24% | 0.237 | 31% | 0.31 | C | S | . | . | trans | -115 | 17.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N112 | N112-G123 PolarHBondContact ND2-O 3.33Å; N112-G123 CarbonylContact O-C 3.59Å; N112-G123 VanDerWaalsContact O-C 3.3Å; N112-G123 VanDerWaalsContact O-CA 3.31Å; N112-G123 WeakPolarHBondContact O-CA 3.46Å; N112-G123 PolarHBondContact O-N 2.89Å | ||
| 124 | S | 98.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.014 | 34% | 0.337 | C | S | . | . | trans | -71.4 | 151.3 | -178.7 | -52 | 0 | 0 | 0 | 0 | 111.4 | V110 N112 N122 A141 | V110-S124 CarbonylContact O-C 3.54Å; V110-S124 WeakPolarHBondContact O-CA 3.3Å; V110-S124 WeakPolarHBondContact O-CB 3.24Å; N112-S124 PolarHBondContact N-OG 2.86Å; N112-S124 PolarHBondContact O-N 2.66Å; N112-S124 PolarHBondContact O-OG 2.85Å; N122-S124 WeakPolarHBondContact OD1-CB 3.25Å; N122-S124 PolarHBondContact OD1-N 3Å; N122-S124 PolarHBondContact OD1-OG 2.77Å; S124-A141 WeakPolarHBondContact O-CB 3.36Å; S124-A141 PolarHBondContact O-N 3.1Å | ||
| 125 | L | 98.5 | Very high | 96.1 | Very high | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 145.4 | -174.4 | -54 | 168.1 | 0 | 0 | 0 | 109.9 | M109 V110 L138 K140 F264 Q268 C271 | M109-L125 CarbonylContact C-O 3.58Å; M109-L125 VanDerWaalsContact CA-O 3.31Å; M109-L125 WeakPolarHBondContact CA-O 3.22Å; V110-L125 HydrophobicContact CB-CB 4.23Å; V110-L125 PolarHBondContact N-O 2.78Å; V110-L125 PolarHBondContact O-N 3.08Å; L125-L138 HydrophobicContact CB-CD1 4.43Å; L125-L138 HydrophobicContact CD1-CD1 4.15Å; L125-L138 HydrophobicContact CD2-CD1 4.37Å; L125-L138 HydrophobicContact CD2-CD2 4.03Å; L125-K140 HydrophobicContact CD2-CG 4.02Å; L125-F264 HydrophobicContact CD1-CB 3.62Å; L125-F264 HydrophobicContact CD1-CD1 4.26Å; L125-F264 HydrophobicContact CD1-CD2 4.1Å; L125-F264 HydrophobicContact CD1-CG 3.74Å; L125-Q268 HydrophobicContact CD1-CG 4.36Å; L125-C271 HydrophobicContact CB-CB 4.27Å; L125-C271 HydrophobicContact CD1-CB 4.35Å |
| 126 | F | 98.4 | Very high | 96.1 | Very high | 4 Ų | 4 | 68.2 Ų | 68.2 | 2% | 0.018 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 128.7 | 173.1 | -51.1 | -43 | 0 | 0 | 0 | 110.4 | P99 T103 E108 M109 L138 T139 A141 C271 | P99-F126 VanDerWaalsContact CD-CE1 3.45Å; P99-F126 HydrophobicContact CG-CE1 4.31Å; P99-F126 HydrophobicContact CG-CE2 4.23Å; P99-F126 HydrophobicContact CG-CZ 3.75Å; T103-F126 HydrophobicContact CG2-CD2 4.2Å; T103-F126 HydrophobicContact CG2-CE2 4.15Å; E108-F126 CarbonylContact O-C 3.49Å; E108-F126 VanDerWaalsContact O-CA 3.23Å; E108-F126 WeakPolarHBondContact O-CA 3.46Å; M109-F126 HydrophobicContact CB-CD1 4.01Å; M109-F126 HydrophobicContact CB-CE1 4.25Å; M109-F126 HydrophobicContact CE-CE1 3.92Å; M109-F126 HydrophobicContact CG-CD1 3.84Å; M109-F126 HydrophobicContact CG-CE1 3.71Å; M109-F126 HydrophobicContact SD-CD1 4.47Å; M109-F126 HydrophobicContact SD-CE1 3.79Å; F126-L138 CarbonylContact O-C 3.6Å; F126-L138 WeakPolarHBondContact O-CA 2.86Å; F126-T139 HydrophobicContact CD2-CG2 4.26Å; F126-T139 PolarHBondContact N-O 3.45Å; F126-T139 PolarHBondContact O-N 2.79Å; F126-A141 HydrophobicContact CE1-CB 3.95Å; F126-A141 HydrophobicContact CE2-CB 3.85Å; F126-A141 HydrophobicContact CZ-CB 3.44Å; F126-A141 VanDerWaalsContact CZ-CB 3.44Å; F126-C271 PolarHBondContact O-SG 2.84Å |
| 127 | G | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 104.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | S107 E108 C271 | S107-G127 WeakPolarHBondContact CA-O 3.46Å; E108-G127 PolarHBondContact N-O 2.94Å; E108-G127 PolarHBondContact O-N 3.47Å; G127-C271 VanDerWaalsContact CA-SG 3.54Å; G127-C271 PolarHBondContact N-SG 3.02Å |
| 128 | S | 97.4 | Very high | 96.5 | Very high | 12 Ų | 12 | 61.4 Ų | 61.4 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 172.9 | 175.7 | 62.1 | 0 | 0 | 0 | 0 | 111.2 | L137 | S128-L137 PolarHBondContact N-O 2.94Å; S128-L137 PolarHBondContact O-N 3.06Å |
| 129 | Y | 97.6 | Very high | 96.8 | Very high | 44 Ų | 44 | 62 Ų | 62 | 17% | 0.173 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 121 | 177.4 | 174.2 | -115.7 | 0 | 0 | 0 | 111.5 | K131 N134 L213 P214 K232 F234 | Y129-K131 HydrophobicContact CD1-CB 4.2Å; Y129-K131 VanDerWaalsContact CE1-CA 3.49Å; Y129-K131 HydrophobicContact CE1-CB 3.78Å; Y129-K131 HydrophobicContact CE1-CG 4.11Å; Y129-K131 PolarHBondContact O-N 2.86Å; Y129-N134 WeakPolarHBondContact CE2-OD1 3.34Å; Y129-N134 PolarHBondContact OH-OD1 3.11Å; Y129-L213 PolarHBondContact N-O 3.15Å; Y129-P214 HydrophobicContact CD1-CB 3.78Å; Y129-P214 HydrophobicContact CG-CB 4.35Å; Y129-K232 HydrophobicContact CD1-CG 4.03Å; Y129-K232 HydrophobicContact CD2-CB 4Å; Y129-K232 HydrophobicContact CD2-CG 3.81Å; Y129-K232 HydrophobicContact CE1-CG 4.23Å; Y129-K232 HydrophobicContact CE2-CB 4.38Å; Y129-K232 HydrophobicContact CE2-CD 4.44Å; Y129-K232 HydrophobicContact CE2-CG 4.03Å; Y129-K232 HydrophobicContact CG-CB 4.32Å; Y129-K232 HydrophobicContact CG-CG 3.8Å; Y129-F234 HydrophobicContact CD2-CE2 4.09Å; Y129-F234 AromaticContact CD2-CZ 3.88Å; Y129-F234 HydrophobicContact CD2-CZ 3.88Å; Y129-F234 AromaticContact CE2-CZ 3.93Å; Y129-F234 HydrophobicContact CE2-CZ 3.93Å |
| 130 | D | 96 | Very high | 97 | Very high | 31 Ų | 31 | 63.4 Ų | 63.4 | 17% | 0.166 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 104.5 | 167.7 | 175.4 | -6.7 | 0 | 0 | 0 | 109 | E132 N133 N134 K135 L137 | D130-E132 PolarHBondContact OD1-N 3.09Å; D130-N133 PolarHBondContact OD1-N 3.49Å; D130-N133 VanDerWaalsContact OD1-N 3.12Å; D130-N133 WeakPolarHBondContact OD2-CB 3.45Å; D130-N133 PolarHBondContact OD2-ND2 3.49Å; D130-N134 VanDerWaalsContact O-CA 3.32Å; D130-N134 WeakPolarHBondContact O-CA 3.08Å; D130-N134 PolarHBondContact O-N 3.28Å; D130-K135 HydrophobicContact CB-CG 3.93Å; D130-K135 WeakPolarHBondContact CB-O 3.29Å; D130-K135 PolarHBondContact N-O 2.97Å; D130-K135 PolarHBondContact O-N 3.28Å; D130-K135 WeakPolarHBondContact OD2-CE 3.26Å; D130-K135 IonicContact OD2-NZ 2.64Å; D130-L137 HydrophobicContact CB-CB 4.43Å |
| 131 | K | 94 | Very high | 97 | Very high | 177 Ų | 177 | 61.5 Ų | 61.5 | 77% | 0.77 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -31 | -178.9 | -176.5 | 178.3 | 177.1 | -175.2 | 0 | 113.2 | Y129 | Y129-K131 HydrophobicContact CD1-CB 4.2Å; Y129-K131 VanDerWaalsContact CE1-CA 3.49Å; Y129-K131 HydrophobicContact CE1-CB 3.78Å; Y129-K131 HydrophobicContact CE1-CG 4.11Å; Y129-K131 PolarHBondContact O-N 2.86Å |
| 132 | E | 94.6 | Very high | 97 | Very high | 183 Ų | 183 | 62.9 Ų | 62.9 | 86% | 0.855 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -40.2 | -176.6 | -62.9 | -174.3 | 166.1 | 0 | 0 | 110.7 | D130 | D130-E132 PolarHBondContact OD1-N 3.09Š|
| 133 | N | 95.8 | Very high | 96.9 | Very high | 97 Ų | 97 | 62.1 Ų | 62.1 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 0.3 | -178.4 | -61.9 | -72.1 | 0 | 0 | 0 | 113.9 | D130 K135 | D130-N133 PolarHBondContact OD1-N 3.49Å; D130-N133 VanDerWaalsContact OD1-N 3.12Å; D130-N133 WeakPolarHBondContact OD2-CB 3.45Å; D130-N133 PolarHBondContact OD2-ND2 3.49Å; N133-K135 VanDerWaalsContact C-N 3.32Å; N133-K135 HydrophobicContact CB-CD 3.71Å; N133-K135 HydrophobicContact CB-CG 3.83Å; N133-K135 PolarHBondContact O-N 2.83Å |
| 134 | N | 95.3 | Very high | 96.9 | Very high | 107 Ų | 107 | 61.9 Ų | 61.9 | 57% | 0.572 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 50.3 | -176.1 | -175.6 | 41.6 | 0 | 0 | 0 | 112.6 | Y129 D130 | Y129-N134 WeakPolarHBondContact CE2-OD1 3.34Å; Y129-N134 PolarHBondContact OH-OD1 3.11Å; D130-N134 VanDerWaalsContact O-CA 3.32Å; D130-N134 WeakPolarHBondContact O-CA 3.08Å; D130-N134 PolarHBondContact O-N 3.28Å |
| 135 | K | 96.7 | Very high | 96.9 | Very high | 98 Ų | 98 | 65.3 Ų | 65.3 | 43% | 0.426 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 157.1 | -175 | 71.1 | -177.8 | 179.1 | -172.8 | 0 | 111.7 | D130 N133 | D130-K135 HydrophobicContact CB-CG 3.93Å; D130-K135 WeakPolarHBondContact CB-O 3.29Å; D130-K135 PolarHBondContact N-O 2.97Å; D130-K135 PolarHBondContact O-N 3.28Å; D130-K135 WeakPolarHBondContact OD2-CE 3.26Å; D130-K135 IonicContact OD2-NZ 2.64Å; N133-K135 VanDerWaalsContact C-N 3.32Å; N133-K135 HydrophobicContact CB-CD 3.71Å; N133-K135 HydrophobicContact CB-CG 3.83Å; N133-K135 PolarHBondContact O-N 2.83Å |
| 136 | P | 97 | Very high | 96.9 | Very high | 23 Ų | 23 | 65.2 Ų | 65.2 | 15% | 0.149 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 146.4 | 168.3 | 31.9 | -36.7 | 0 | 0 | 0 | 109.7 | Y210 V212 F234 N270 | P136-Y210 HydrophobicContact CB-CE2 4.49Å; P136-Y210 WeakPolarHBondContact CG-OH 3.39Å; P136-V212 HydrophobicContact CB-CG1 4.23Å; P136-F234 HydrophobicContact CB-CD2 4.09Å; P136-F234 HydrophobicContact CB-CE2 4.26Å; P136-F234 HydrophobicContact CB-CG 4.43Å; P136-F234 HydrophobicContact CG-CD1 4.35Å; P136-F234 HydrophobicContact CG-CD2 4.32Å; P136-F234 HydrophobicContact CG-CG 4.18Å; P136-N270 WeakPolarHBondContact CG-OD1 3.16Å |
| 137 | L | 96.6 | Very high | 96.9 | Very high | 79 Ų | 79 | 65 Ų | 65 | 41% | 0.414 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 127.5 | 171.7 | 177.5 | 65.7 | 0 | 0 | 0 | 108.8 | S128 D130 | S128-L137 PolarHBondContact N-O 2.94Å; S128-L137 PolarHBondContact O-N 3.06Å; D130-L137 HydrophobicContact CB-CB 4.43Å |
| 138 | L | 97.3 | Very high | 96.9 | Very high | 31 Ų | 31 | 65 Ų | 65 | 16% | 0.162 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 132.6 | 173.3 | -176.8 | 149.5 | 0 | 0 | 0 | 110.2 | L125 F126 K140 Q268 C271 | L125-L138 HydrophobicContact CB-CD1 4.43Å; L125-L138 HydrophobicContact CD1-CD1 4.15Å; L125-L138 HydrophobicContact CD2-CD1 4.37Å; L125-L138 HydrophobicContact CD2-CD2 4.03Å; F126-L138 CarbonylContact O-C 3.6Å; F126-L138 WeakPolarHBondContact O-CA 2.86Å; L138-K140 HydrophobicContact CD2-CG 4.42Å; L138-Q268 HydrophobicContact CD1-CB 4.42Å; L138-Q268 WeakPolarHBondContact CD1-O 3.43Å; L138-C271 HydrophobicContact CD1-CB 3.92Å |
| 139 | T | 97.3 | Very high | 97 | Very high | 61 Ų | 61 | 65 Ų | 65 | 37% | 0.374 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 133.7 | 171.2 | -58 | 0 | 0 | 0 | 0 | 109.6 | F126 | F126-T139 HydrophobicContact CD2-CG2 4.26Å; F126-T139 PolarHBondContact N-O 3.45Å; F126-T139 PolarHBondContact O-N 2.79Å |
| 140 | K | 97.5 | Very high | 97 | Very high | 142 Ų | 142 | 62.9 Ų | 62.9 | 62% | 0.617 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 136 | 172.2 | -69.2 | -174.1 | 175.8 | -177.2 | 0 | 109.7 | L125 L138 D142 | L125-K140 HydrophobicContact CD2-CG 4.02Å; L138-K140 HydrophobicContact CD2-CG 4.42Å; K140-D142 PolarHBondContact O-N 2.73Å |
| 141 | A | 97.8 | Very high | 97.1 | Very high | 13 Ų | 13 | 61.5 Ų | 61.5 | 11% | 0.107 | 31% | 0.305 | C | S | . | . | trans | -69.2 | 128.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S124 F126 | S124-A141 WeakPolarHBondContact O-CB 3.36Å; S124-A141 PolarHBondContact O-N 3.1Å; F126-A141 HydrophobicContact CE1-CB 3.95Å; F126-A141 HydrophobicContact CE2-CB 3.85Å; F126-A141 HydrophobicContact CZ-CB 3.44Å; F126-A141 VanDerWaalsContact CZ-CB 3.44Å | ||
| 142 | D | 96.4 | Very high | 97.3 | Very high | 144 Ų | 144 | 53.1 Ų | 53.1 | 77% | 0.77 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -103 | 0.2 | 174.1 | 64.2 | -4.4 | 0 | 0 | 0 | 112.7 | K140 | K140-D142 PolarHBondContact O-N 2.73Š|
| 143 | N | 97.1 | Very high | 97.5 | Very high | 31 Ų | 31 | 44.4 Ų | 44.4 | 17% | 0.166 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -145 | 170.5 | -178 | 70.1 | 82.1 | 0 | 0 | 0 | 111.2 | N122 K145 | N122-N143 PolarHBondContact ND2-O 3.01Å; N143-K145 WeakPolarHBondContact OD1-CA 3.36Å; N143-K145 WeakPolarHBondContact OD1-CB 3.25Å; N143-K145 PolarHBondContact OD1-N 2.84Å |
| 144 | T | 98 | Very high | 97.6 | Very high | 19 Ų | 19 | 39.9 Ų | 39.9 | 12% | 0.117 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -99.4 | 8.6 | -177.7 | 58.4 | 0 | 0 | 0 | 0 | 113.4 | D77 L78 L79 I113 V120 | D77-T144 VanDerWaalsContact OD1-CB 3.27Å; D77-T144 WeakPolarHBondContact OD1-CB 2.98Å; D77-T144 PolarHBondContact OD1-OG1 2.85Å; L78-T144 WeakPolarHBondContact CG-O 3.41Å; L78-T144 PolarHBondContact N-O 3.36Å; L79-T144 HydrophobicContact CD1-CG2 4.47Å; L79-T144 HydrophobicContact CG-CG2 4.29Å; I113-T144 HydrophobicContact CD1-CG2 3.53Å; V120-T144 HydrophobicContact CG1-CG2 4.15Å; V120-T144 HydrophobicContact CG2-CG2 4.2Å |
| 145 | K | 98.5 | Very high | 97.7 | Very high | 73 Ų | 73 | 34.9 Ų | 34.9 | 32% | 0.317 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 151.7 | -173.9 | -50.3 | -56.6 | -172.2 | -178.7 | 0 | 111.3 | Y76 D77 P99 F101 L102 N143 | Y76-K145 VanDerWaalsContact O-CA 3.32Å; Y76-K145 WeakPolarHBondContact O-CA 3.3Å; D77-K145 HydrophobicContact CB-CD 3.78Å; D77-K145 VanDerWaalsContact CG-NZ 3.32Å; D77-K145 IonicContact OD2-NZ 2.62Å; D77-K145 PolarHBondContact OD2-NZ 2.91Å; P99-K145 HydrophobicContact CB-CB 3.96Å; P99-K145 WeakPolarHBondContact CD-O 3.47Å; P99-K145 WeakPolarHBondContact CG-O 3.06Å; F101-K145 HydrophobicContact CZ-CB 3.8Å; F101-K145 HydrophobicContact CZ-CG 4.32Å; L102-K145 HydrophobicContact CD1-CB 4.05Å; L102-K145 HydrophobicContact CD1-CG 3.87Å; N143-K145 WeakPolarHBondContact OD1-CA 3.36Å; N143-K145 WeakPolarHBondContact OD1-CB 3.25Å; N143-K145 PolarHBondContact OD1-N 2.84Å |
| 146 | F | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 173.9 | 172.8 | 71.4 | -78.4 | 0 | 0 | 0 | 108.9 | V60 Y76 L78 V81 A97 M109 M152 | V60-F146 HydrophobicContact CB-CE2 4Å; V60-F146 HydrophobicContact CB-CZ 3.77Å; V60-F146 HydrophobicContact CG1-CE2 4.04Å; V60-F146 HydrophobicContact CG1-CZ 3.68Å; V60-F146 HydrophobicContact CG2-CZ 4.07Å; Y76-F146 HydrophobicContact CD2-CD2 4Å; Y76-F146 AromaticContact CD2-CE2 3.63Å; Y76-F146 HydrophobicContact CD2-CE2 3.63Å; Y76-F146 HydrophobicContact CD2-CZ 4.05Å; Y76-F146 HydrophobicContact CG-CE1 4.37Å; Y76-F146 AromaticContact CG-CE2 4Å; Y76-F146 HydrophobicContact CG-CE2 4Å; Y76-F146 AromaticContact CG-CZ 3.92Å; Y76-F146 HydrophobicContact CG-CZ 3.92Å; Y76-F146 PolarHBondContact N-O 3.18Å; Y76-F146 PolarHBondContact O-N 2.68Å; Y76-F146 VanDerWaalsContact O-N 3.07Å; L78-F146 HydrophobicContact CD2-CD1 4.09Å; L78-F146 HydrophobicContact CD2-CE1 3.93Å; L78-F146 HydrophobicContact CG-CD1 4.01Å; L78-F146 HydrophobicContact CG-CE1 4.17Å; V81-F146 HydrophobicContact CG2-CE1 4.33Å; V81-F146 HydrophobicContact CG2-CZ 4.43Å; A97-F146 WeakPolarHBondContact O-CB 3.26Å; M109-F146 HydrophobicContact SD-CB 3.73Å; F146-M152 HydrophobicContact CE2-CE 4.4Å; F146-M152 HydrophobicContact CZ-CE 4.11Å |
| 147 | A | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 164.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K74 A97 F100 F101 L149 | K74-A147 CarbonylContact O-C 3.6Å; K74-A147 VanDerWaalsContact O-CA 3.29Å; K74-A147 WeakPolarHBondContact O-CA 3.45Å; K74-A147 WeakPolarHBondContact O-CB 3.34Å; A97-A147 WeakPolarHBondContact CB-O 3.38Å; A97-A147 PolarHBondContact O-N 2.88Å; F100-A147 HydrophobicContact CD1-CB 3.8Å; F100-A147 HydrophobicContact CE1-CB 3.35Å; F100-A147 HydrophobicContact CZ-CB 4.13Å; F101-A147 HydrophobicContact CD1-CB 4.3Å; F101-A147 HydrophobicContact CE1-CB 4.16Å; A147-L149 PolarHBondContact O-N 3.37Å |
| 148 | L | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 61.5 | -56.5 | 173.6 | -47.1 | 179.6 | 0 | 0 | 0 | 116 | G61 S62 Y65 L66 K71 K74 F100 F216 | G61-L148 WeakPolarHBondContact CA-O 3.38Å; S62-L148 PolarHBondContact N-O 2.84Å; Y65-L148 WeakPolarHBondContact CD2-O 3.33Å; L66-L148 HydrophobicContact CB-CD1 4.23Å; L66-L148 HydrophobicContact CD1-CD1 3.67Å; K71-L148 VanDerWaalsContact O-CD2 3.24Å; K71-L148 WeakPolarHBondContact O-CD2 3.35Å; K74-L148 HydrophobicContact CB-CD2 4.3Å; K74-L148 PolarHBondContact O-N 3.18Å; F100-L148 HydrophobicContact CE1-CD1 4.24Å; F100-L148 HydrophobicContact CE1-CD2 4.02Å; F100-L148 HydrophobicContact CE1-CG 3.96Å; F100-L148 HydrophobicContact CZ-CD2 4.41Å; L148-F216 HydrophobicContact CD1-CE1 3.8Å; L148-F216 HydrophobicContact CD1-CZ 3.99Å |
| 149 | L | 97.8 | Very high | 97.4 | Very high | 11 Ų | 11 | 36.9 Ų | 36.9 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 151.8 | -178.9 | 65.3 | 98.5 | 0 | 0 | 0 | 111.8 | V60 F63 L66 G96 A97 A147 | V60-L149 CarbonylContact O-C 3.58Å; V60-L149 VanDerWaalsContact O-CA 3.24Å; V60-L149 WeakPolarHBondContact O-CA 3.29Å; F63-L149 HydrophobicContact CB-CD2 4.43Å; F63-L149 HydrophobicContact CD1-CD2 3.75Å; F63-L149 HydrophobicContact CD2-CD2 4.05Å; F63-L149 HydrophobicContact CE1-CD2 3.86Å; F63-L149 HydrophobicContact CE2-CD1 3.99Å; F63-L149 HydrophobicContact CE2-CD2 4.13Å; F63-L149 HydrophobicContact CG-CD2 3.84Å; F63-L149 HydrophobicContact CZ-CD1 3.95Å; F63-L149 HydrophobicContact CZ-CD2 4.03Å; L66-L149 HydrophobicContact CB-CD2 4.3Å; L66-L149 HydrophobicContact CD2-CD2 4.47Å; G96-L149 VanDerWaalsContact CA-O 3.29Å; G96-L149 WeakPolarHBondContact CA-O 3.35Å; A97-L149 PolarHBondContact N-O 3.48Å; A147-L149 PolarHBondContact O-N 3.37Å |
| 150 | G | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 130 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | V60 A95 | V60-G150 PolarHBondContact N-O 3.01Å; V60-G150 PolarHBondContact O-N 2.84Å; A95-G150 CarbonylContact O-C 3.54Å; A95-G150 WeakPolarHBondContact O-CA 3.16Å |
| 151 | Q | 98.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.009 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 118.5 | 177.6 | -154.6 | -178 | 16.9 | 0 | 0 | 109.4 | C58 D59 A95 I245 R257 H260 | C58-Q151 WeakPolarHBondContact O-CA 3.47Å; D59-Q151 HydrophobicContact CB-CG 4.43Å; D59-Q151 WeakPolarHBondContact OD1-CG 3.46Å; A95-Q151 PolarHBondContact N-O 3.36Å; A95-Q151 PolarHBondContact O-N 2.82Å; A95-Q151 VanDerWaalsContact O-O 3.11Å; Q151-I245 VanDerWaalsContact CD-CD1 3.42Å; Q151-I245 HydrophobicContact CG-CD1 4Å; Q151-I245 HydrophobicContact CG-CG1 3.88Å; Q151-R257 PolarHBondContact NE2-O 2.84Å; Q151-R257 PolarHBondContact OE1-O 3.01Å; Q151-H260 HydrophobicContact CB-CB 4.36Å |
| 152 | M | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 154.3 | -163.1 | 62.4 | -158.4 | 77.6 | 0 | 0 | 112.1 | I57 C58 V60 L78 V81 V92 I93 I111 F146 | I57-M152 WeakPolarHBondContact CA-O 3.4Å; C58-M152 HydrophobicContact CB-CG 3.65Å; C58-M152 HydrophobicContact CB-SD 4.29Å; C58-M152 PolarHBondContact N-O 3.15Å; C58-M152 PolarHBondContact O-N 3.49Å; V60-M152 HydrophobicContact CG2-CE 4.23Å; L78-M152 HydrophobicContact CD2-CE 4.07Å; L78-M152 HydrophobicContact CD2-SD 3.68Å; V81-M152 HydrophobicContact CG1-SD 4.2Å; V92-M152 HydrophobicContact CG1-CB 3.63Å; V92-M152 HydrophobicContact CG1-CG 3.51Å; V92-M152 HydrophobicContact CG1-SD 3.3Å; V92-M152 WeakPolarHBondContact CG1-SD 3.34Å; I93-M152 CarbonylContact O-C 3.57Å; I93-M152 WeakPolarHBondContact O-CA 3.42Å; I93-M152 WeakPolarHBondContact O-CB 3.42Å; I111-M152 HydrophobicContact CD1-CB 4.34Å; I111-M152 HydrophobicContact CD1-CE 3.61Å; I111-M152 HydrophobicContact CD1-SD 4.22Å; F146-M152 HydrophobicContact CE2-CE 4.4Å; F146-M152 HydrophobicContact CZ-CE 4.11Å |
| 153 | F | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 124.7 | 169.5 | -177 | -116.3 | 0 | 0 | 0 | 109.4 | I57 V92 I93 C155 I245 A292 | I57-F153 HydrophobicContact CG1-CD2 4.44Å; V92-F153 WeakPolarHBondContact CA-O 3.27Å; I93-F153 HydrophobicContact CG1-CB 4.2Å; I93-F153 HydrophobicContact CG1-CD1 4.44Å; I93-F153 PolarHBondContact N-O 3.33Å; I93-F153 PolarHBondContact O-N 3.13Å; F153-C155 HydrophobicContact CD1-CB 4.38Å; F153-C155 HydrophobicContact CE1-CB 3.62Å; F153-C155 HydrophobicContact CZ-CB 3.92Å; F153-I245 HydrophobicContact CB-CG2 3.76Å; F153-A292 HydrophobicContact CD2-CB 4.49Å; F153-A292 HydrophobicContact CE2-CB 4.04Å |
| 154 | M | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 136.6 | 171.7 | -176.6 | 177.2 | -74.6 | 0 | 0 | 109.6 | G55 V56 V81 F82 A85 V87 A91 V92 | G55-M154 CarbonylContact C-O 3.5Å; G55-M154 WeakPolarHBondContact CA-O 3.2Å; V56-M154 HydrophobicContact CB-CB 4.34Å; V56-M154 PolarHBondContact N-O 3.43Å; V56-M154 PolarHBondContact O-N 2.9Å; V81-M154 HydrophobicContact CB-CE 4.38Å; V81-M154 HydrophobicContact CG1-CE 3.85Å; F82-M154 HydrophobicContact CB-CE 4.33Å; F82-M154 HydrophobicContact CD1-CE 3.84Å; F82-M154 HydrophobicContact CD1-SD 4.24Å; F82-M154 HydrophobicContact CD2-CE 4.27Å; F82-M154 HydrophobicContact CE1-CE 4.21Å; F82-M154 HydrophobicContact CG-CE 3.88Å; A85-M154 HydrophobicContact CB-CE 4.14Å; A85-M154 HydrophobicContact CB-SD 3.38Å; A85-M154 WeakPolarHBondContact CB-SD 3.1Å; V87-M154 HydrophobicContact CB-SD 3.74Å; V87-M154 HydrophobicContact CG1-SD 4.25Å; V87-M154 HydrophobicContact CG2-CG 4.31Å; V87-M154 HydrophobicContact CG2-SD 3.55Å; V87-M154 VanDerWaalsContact CG2-SD 3.55Å; A91-M154 CarbonylContact O-C 3.54Å; A91-M154 VanDerWaalsContact O-CA 3.27Å; A91-M154 WeakPolarHBondContact O-CA 3.35Å; V92-M154 HydrophobicContact CG2-CB 3.99Å; V92-M154 HydrophobicContact CG2-CE 3.27Å; V92-M154 HydrophobicContact CG2-CG 3.86Å; V92-M154 HydrophobicContact CG2-SD 4.4Å |
| 155 | C | 97.1 | Very high | 97.7 | Very high | 3 Ų | 3 | 22.7 Ų | 22.7 | 2% | 0.02 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 168.5 | 171.7 | 65.4 | 0 | 0 | 0 | 0 | 111.8 | E54 G90 A91 F153 G157 | E54-C155 VanDerWaalsContact O-CA 3.25Å; E54-C155 WeakPolarHBondContact O-CA 3.22Å; G90-C155 CarbonylContact C-O 3.55Å; G90-C155 WeakPolarHBondContact CA-O 3.43Å; A91-C155 PolarHBondContact N-O 3.21Å; A91-C155 PolarHBondContact O-N 2.74Å; F153-C155 HydrophobicContact CD1-CB 4.38Å; F153-C155 HydrophobicContact CE1-CB 3.62Å; F153-C155 HydrophobicContact CZ-CB 3.92Å; C155-G157 PolarHBondContact O-N 3.37Å; C155-G157 PolarHBondContact SG-N 3.22Å |
| 156 | E | 95.9 | Very high | 97.7 | Very high | 65 Ų | 65 | 21.2 Ų | 21.2 | 30% | 0.304 | 12% | 0.12 | S | C | . | . | trans | -69.6 | -14.3 | 173.5 | -57.8 | 178.8 | 112.7 | 0 | 0 | 113.1 | G53 E54 K158 | G53-E156 WeakPolarHBondContact CA-OE2 3.5Å; E54-E156 PolarHBondContact N-OE2 3.06Å; E156-K158 VanDerWaalsContact C-N 3.29Å; E156-K158 HydrophobicContact CB-CD 4.2Å; E156-K158 HydrophobicContact CB-CG 4.08Å; E156-K158 PolarHBondContact O-N 3.34Å; E156-K158 IonicContact OE1-NZ 2.78Å; E156-K158 PolarHBondContact OE1-NZ 3.14Å; E156-K158 WeakPolarHBondContact OE2-CD 3.24Å; E156-K158 VanDerWaalsContact OE2-CE 3.22Å; E156-K158 WeakPolarHBondContact OE2-CE 3.43Å; E156-K158 IonicContact OE2-NZ 2.67Å; E156-K158 PolarHBondContact OE2-NZ 3.06Å | ||
| 157 | G | 95 | Very high | 97.7 | Very high | 8 Ų | 8 | 21.4 Ų | 21.4 | 8% | 0.082 | 12% | 0.122 | C | C | . | . | trans | 67.5 | 24.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | G50 S52 C155 | G50-G157 PolarHBondContact N-O 3.2Å; G50-G157 VanDerWaalsContact O-CA 3.22Å; G50-G157 WeakPolarHBondContact O-CA 3.48Å; S52-G157 PolarHBondContact O-N 3.15Å; C155-G157 PolarHBondContact O-N 3.37Å; C155-G157 PolarHBondContact SG-N 3.22Å | ||
| 158 | K | 95.3 | Very high | 97.6 | Very high | 103 Ų | 103 | 23.4 Ų | 23.4 | 45% | 0.448 | 14% | 0.136 | S | C | . | . | B | Isolated β-bridge | trans | -71.2 | 151.5 | 179.5 | -66.3 | 172.8 | -177.9 | 161.3 | 0 | 110.5 | G50 S52 E156 | G50-K158 WeakPolarHBondContact CA-O 3.49Å; S52-K158 VanDerWaalsContact CB-O 3.25Å; S52-K158 WeakPolarHBondContact CB-O 3.44Å; S52-K158 PolarHBondContact N-O 2.58Å; S52-K158 PolarHBondContact O-N 3.11Å; E156-K158 VanDerWaalsContact C-N 3.29Å; E156-K158 HydrophobicContact CB-CD 4.2Å; E156-K158 HydrophobicContact CB-CG 4.08Å; E156-K158 PolarHBondContact O-N 3.34Å; E156-K158 IonicContact OE1-NZ 2.78Å; E156-K158 PolarHBondContact OE1-NZ 3.14Å; E156-K158 WeakPolarHBondContact OE2-CD 3.24Å; E156-K158 VanDerWaalsContact OE2-CE 3.22Å; E156-K158 WeakPolarHBondContact OE2-CE 3.43Å; E156-K158 IonicContact OE2-NZ 2.67Å; E156-K158 PolarHBondContact OE2-NZ 3.06Å |
| 159 | P | 95.6 | Very high | 97.4 | Very high | 97 Ų | 97 | 23.9 Ų | 23.9 | 63% | 0.63 | 14% | 0.14 | S | C | * | . | S | Bend | trans | -59.6 | 150 | 161.3 | -18.2 | 31.3 | 0 | 0 | 0 | 110.4 | ||
| 160 | G | 97.2 | Very high | 97.3 | Very high | 15 Ų | 15 | 24.8 Ų | 24.8 | 16% | 0.155 | 14% | 0.143 | C | C | . | . | trans | 155.9 | -177.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C36 S52 | C36-G160 WeakPolarHBondContact CB-O 3.34Å; C36-G160 PolarHBondContact N-O 2.82Å; S52-G160 WeakPolarHBondContact OG-CA 3.38Å; S52-G160 PolarHBondContact OG-N 2.78Å; S52-G160 PolarHBondContact OG-O 2.96Å | ||
| 161 | P | 98 | Very high | 97.1 | Very high | 70 Ų | 70 | 29.4 Ų | 29.4 | 46% | 0.455 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 133.3 | -174.9 | 28.6 | -34.7 | 0 | 0 | 0 | 111.8 | L11 I33 T34 S52 | L11-P161 HydrophobicContact CD1-CB 3.93Å; L11-P161 HydrophobicContact CD1-CG 4.2Å; I33-P161 HydrophobicContact CG2-CB 3.89Å; T34-P161 CarbonylContact O-C 3.56Å; T34-P161 VanDerWaalsContact O-CA 3.32Å; T34-P161 WeakPolarHBondContact O-CA 3.39Å; S52-P161 PolarHBondContact OG-O 2.97Å |
| 162 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 163.4 | 175.4 | -64.6 | 0 | 0 | 0 | 0 | 110.1 | I33 T34 C36 L51 Y288 | I33-V162 WeakPolarHBondContact CA-O 3.36Å; T34-V162 HydrophobicContact CG2-CG2 4.18Å; T34-V162 PolarHBondContact N-O 2.94Å; T34-V162 VanDerWaalsContact N-O 3.09Å; T34-V162 PolarHBondContact O-N 3.5Å; C36-V162 HydrophobicContact CB-CB 4.5Å; C36-V162 HydrophobicContact CB-CG1 3.77Å; C36-V162 HydrophobicContact CB-CG2 3.89Å; L51-V162 HydrophobicContact CB-CG1 4.15Å; V162-Y288 HydrophobicContact CG2-CD1 3.9Å |
| 163 | I | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 122.6 | 167.5 | -62.9 | 168.6 | 0 | 0 | 0 | 107.6 | L11 V14 C31 I33 Y288 F289 I291 | L11-I163 HydrophobicContact CB-CG1 4.32Å; L11-I163 HydrophobicContact CD2-CD1 4.27Å; L11-I163 HydrophobicContact CD2-CG1 3.97Å; V14-I163 HydrophobicContact CB-CD1 3.77Å; V14-I163 HydrophobicContact CG1-CD1 3.59Å; C31-I163 WeakPolarHBondContact SG-CG2 3.47Å; I33-I163 HydrophobicContact CD1-CG1 3.86Å; I163-Y288 CarbonylContact O-C 3.57Å; I163-Y288 VanDerWaalsContact O-CA 3.26Å; I163-Y288 WeakPolarHBondContact O-CA 3.31Å; I163-F289 HydrophobicContact CB-CB 4.38Å; I163-F289 PolarHBondContact N-O 2.96Å; I163-F289 PolarHBondContact O-N 3.49Å; I163-I291 HydrophobicContact CD1-CG1 4.49Å |
| 164 | E | 98.8 | Very high | 96 | Very high | 27 Ų | 27 | 41 Ų | 41 | 13% | 0.126 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 129.2 | 166.2 | 177.3 | 177.8 | -139.9 | 0 | 0 | 109.5 | C31 S32 T34 N166 R286 G287 Y288 | C31-E164 CarbonylContact C-O 3.54Å; C31-E164 VanDerWaalsContact CA-O 3.3Å; C31-E164 WeakPolarHBondContact CA-O 3.33Å; C31-E164 PolarHBondContact SG-O 3.29Å; S32-E164 PolarHBondContact N-O 2.8Å; S32-E164 PolarHBondContact O-N 3.3Å; T34-E164 HydrophobicContact CG2-CB 3.5Å; T34-E164 HydrophobicContact CG2-CG 4.35Å; E164-N166 WeakPolarHBondContact CG-ND2 3.44Å; E164-R286 IonicContact OE1-NH1 3.18Å; E164-G287 CarbonylContact C-O 3.13Å; E164-G287 WeakPolarHBondContact CA-O 3.33Å; E164-Y288 HydrophobicContact CB-CD1 3.93Å; E164-Y288 HydrophobicContact CB-CE1 3.7Å; E164-Y288 HydrophobicContact CG-CD1 4.13Å; E164-Y288 HydrophobicContact CG-CE1 3.52Å; E164-Y288 WeakPolarHBondContact OE1-CE1 3.2Å; E164-Y288 PolarHBondContact OE1-OH 3.36Å |
| 165 | L | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 117.6 | 178 | 174.3 | 62 | 0 | 0 | 0 | 108.9 | I18 L22 V29 C31 V167 F176 I180 R286 G287 F289 | I18-L165 HydrophobicContact CG2-CD1 3.94Å; I18-L165 HydrophobicContact CG2-CD2 3.87Å; I18-L165 HydrophobicContact CG2-CG 4.46Å; L22-L165 HydrophobicContact CD1-CD1 3.76Å; L22-L165 HydrophobicContact CD1-CD2 3.55Å; L22-L165 HydrophobicContact CD1-CG 4.25Å; V29-L165 HydrophobicContact CG1-CD1 4.29Å; C31-L165 HydrophobicContact CB-CD1 4.11Å; L165-V167 HydrophobicContact CD1-CG1 3.69Å; L165-V167 HydrophobicContact CG-CG1 4.07Å; L165-F176 HydrophobicContact CD2-CE2 4Å; L165-F176 HydrophobicContact CD2-CZ 3.59Å; L165-F176 HydrophobicContact CG-CZ 4.28Å; L165-I180 HydrophobicContact CD2-CD1 4.13Å; L165-I180 HydrophobicContact CD2-CG1 4.15Å; L165-R286 CarbonylContact O-C 3.55Å; L165-R286 VanDerWaalsContact O-CA 3.25Å; L165-R286 WeakPolarHBondContact O-CA 3.49Å; L165-G287 PolarHBondContact N-O 2.88Å; L165-G287 PolarHBondContact O-N 2.98Å; L165-F289 HydrophobicContact CB-CE2 4.34Å; L165-F289 HydrophobicContact CD2-CE2 4.34Å |
| 166 | N | 98.6 | Very high | 95.5 | Very high | 41 Ų | 41 | 41.7 Ų | 41.7 | 22% | 0.219 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 122.6 | 172.3 | -70 | -82 | 0 | 0 | 0 | 108.8 | K30 E164 Y285 R286 | K30-N166 HydrophobicContact CB-CB 4.47Å; K30-N166 PolarHBondContact N-O 3.12Å; K30-N166 PolarHBondContact O-N 3.27Å; E164-N166 WeakPolarHBondContact CG-ND2 3.44Å; N166-Y285 WeakPolarHBondContact CA-O 3.41Å; N166-R286 WeakPolarHBondContact OD1-CG 3.34Å; N166-R286 PolarHBondContact OD1-NE 3.46Å |
| 167 | V | 98.2 | Very high | 95.4 | Very high | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.03 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 148.2 | 175 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | L22 F26 T28 V29 L165 F176 S284 Y285 | L22-V167 HydrophobicContact CD1-CG1 4.27Å; F26-V167 HydrophobicContact CB-CB 4.14Å; F26-V167 HydrophobicContact CD1-CB 3.96Å; F26-V167 HydrophobicContact CD1-CG2 3.86Å; F26-V167 HydrophobicContact CD2-CB 3.95Å; F26-V167 HydrophobicContact CD2-CG1 4.23Å; F26-V167 HydrophobicContact CD2-CG2 4.02Å; F26-V167 HydrophobicContact CE1-CB 4.38Å; F26-V167 HydrophobicContact CE1-CG2 3.77Å; F26-V167 HydrophobicContact CE2-CB 4.38Å; F26-V167 HydrophobicContact CE2-CG2 3.94Å; F26-V167 HydrophobicContact CG-CB 3.75Å; F26-V167 HydrophobicContact CG-CG1 4.44Å; F26-V167 HydrophobicContact CG-CG2 4.01Å; F26-V167 HydrophobicContact CZ-CG2 3.82Å; T28-V167 CarbonylContact O-C 3.55Å; T28-V167 VanDerWaalsContact O-CA 3.24Å; T28-V167 WeakPolarHBondContact O-CA 3.09Å; V29-V167 HydrophobicContact CB-CG1 4.25Å; V29-V167 HydrophobicContact CG1-CG1 3.9Å; V29-V167 HydrophobicContact CG2-CG1 3.98Å; L165-V167 HydrophobicContact CD1-CG1 3.69Å; L165-V167 HydrophobicContact CG-CG1 4.07Å; V167-F176 HydrophobicContact CG1-CE2 4.37Å; V167-F176 HydrophobicContact CG2-CD2 4.08Å; V167-F176 HydrophobicContact CG2-CE2 3.42Å; V167-F176 VanDerWaalsContact CG2-CE2 3.42Å; V167-F176 HydrophobicContact CG2-CZ 3.93Å; V167-S284 VanDerWaalsContact O-CA 3.3Å; V167-S284 WeakPolarHBondContact O-CA 3.23Å; V167-Y285 HydrophobicContact CG2-CD2 4.06Å; V167-Y285 HydrophobicContact CG2-CG 4.42Å; V167-Y285 PolarHBondContact N-O 3.04Å; V167-Y285 PolarHBondContact O-N 3.18Å |
| 168 | S | 97 | Very high | 95.3 | Very high | 42 Ų | 42 | 39.1 Ų | 39.1 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 153.5 | 174.4 | 67.6 | 0 | 0 | 0 | 0 | 113.5 | K27 T28 V283 | K27-S168 PolarHBondContact N-O 3.44Å; T28-S168 WeakPolarHBondContact CB-OG 3.44Å; T28-S168 PolarHBondContact N-O 3.38Å; T28-S168 VanDerWaalsContact N-O 3.11Å; T28-S168 PolarHBondContact O-N 2.81Å; S168-V283 WeakPolarHBondContact CA-O 3.49Å |
| 169 | G | 94.3 | Very high | 95.4 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 9% | 0.093 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 66.8 | 75 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F26 K27 I171 P281 V283 | F26-G169 WeakPolarHBondContact CA-O 3.25Å; K27-G169 WeakPolarHBondContact CG-O 3.33Å; K27-G169 PolarHBondContact N-O 3.07Å; G169-I171 PolarHBondContact O-N 2.87Å; G169-P281 WeakPolarHBondContact CA-O 3.19Å; G169-V283 PolarHBondContact N-O 3.03Å |
| 170 | R | 94.5 | Very high | 95.5 | Very high | 31 Ų | 31 | 29.7 Ų | 29.7 | 12% | 0.117 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 137 | 179.4 | -173.1 | 173.7 | 61 | -166.4 | -11.7 | 110.8 | F26 R172 G174 D277 G280 V283 | F26-R170 HydrophobicContact CD1-CB 3.92Å; F26-R170 HydrophobicContact CD1-CG 4.47Å; F26-R170 HydrophobicContact CE1-CB 3.71Å; F26-R170 HydrophobicContact CE1-CG 4.1Å; F26-R170 HydrophobicContact CZ-CB 4.47Å; F26-R170 HydrophobicContact CZ-CG 4.38Å; R170-R172 WeakPolarHBondContact CD-O 3.29Å; R170-R172 WeakPolarHBondContact CG-O 3.38Å; R170-G174 PolarHBondContact NH1-O 2.93Å; R170-D277 VanDerWaalsContact CZ-CG 3.44Å; R170-D277 IonicContact CZ-OD1 3.76Å; R170-D277 IonicContact CZ-OD2 2.81Å; R170-D277 IonicContact NE-OD1 2.76Å; R170-D277 IonicContact NE-OD2 3.96Å; R170-D277 IonicContact NH1-OD1 2.62Å; R170-D277 IonicContact NH1-OD2 2.75Å; R170-D277 PolarHBondContact NH1-OD2 3.25Å; R170-D277 PolarHBondContact NH2-O 2.83Å; R170-D277 IonicContact NH2-OD1 3.27Å; R170-D277 PolarHBondContact NH2-OD1 2.92Å; R170-D277 IonicContact NH2-OD2 3.16Å; R170-D277 PolarHBondContact NH2-OD2 3.09Å; R170-G280 WeakPolarHBondContact CB-O 3.38Å; R170-G280 PolarHBondContact N-O 2.88Å; R170-G280 VanDerWaalsContact N-O 3.15Å; R170-V283 HydrophobicContact CB-CG1 3.99Å |
| 171 | I | 95.3 | Very high | 95.5 | Very high | 97 Ų | 97 | 31.5 Ų | 31.5 | 50% | 0.497 | 17% | 0.17 | S | C | . | . | trans | -122.8 | -12.7 | 178.1 | 57.4 | 170.5 | 0 | 0 | 0 | 113.3 | C25 K27 G169 | C25-I171 WeakPolarHBondContact O-CG1 3.3Å; C25-I171 PolarHBondContact O-N 2.88Å; K27-I171 HydrophobicContact CD-CG2 4.4Å; K27-I171 HydrophobicContact CG-CG2 3.57Å; G169-I171 PolarHBondContact O-N 2.87Å | ||
| 172 | R | 93.7 | Very high | 95.5 | Very high | 76 Ų | 76 | 30.6 Ų | 30.6 | 29% | 0.287 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -120 | 134.1 | 175.6 | -165.4 | -169.9 | 82.7 | 174 | 12.3 | 109.2 | C25 R170 M179 E182 | C25-R172 HydrophobicContact CB-CB 4.37Å; C25-R172 PolarHBondContact O-N 3.24Å; C25-R172 PolarHBondContact SG-NH1 3.09Å; C25-R172 VanDerWaalsContact SG-NH1 3.37Å; R170-R172 WeakPolarHBondContact CD-O 3.29Å; R170-R172 WeakPolarHBondContact CG-O 3.38Å; R172-M179 HydrophobicContact CB-CE 4.5Å; R172-M179 VanDerWaalsContact NH2-CG 3.34Å; R172-M179 WeakPolarHBondContact O-CE 3.37Å; R172-E182 IonicContact CZ-OE2 3.33Å; R172-E182 IonicContact NH1-OE2 3.1Å; R172-E182 PolarHBondContact NH1-OE2 2.62Å; R172-E182 VanDerWaalsContact NH1-OE2 3.1Å; R172-E182 IonicContact NH2-OE1 3.53Å; R172-E182 IonicContact NH2-OE2 2.67Å; R172-E182 PolarHBondContact NH2-OE2 2.76Å |
| 173 | D | 90.2 | Very high | 95.5 | Very high | 148 Ų | 148 | 30.7 Ų | 30.7 | 79% | 0.791 | 16% | 0.16 | S | C | * | . | trans | -63 | 152.4 | 174.1 | -62.4 | -30.3 | 0 | 0 | 0 | 111.3 | ||||
| 174 | G | 87.9 | Confident | 95.5 | Very high | 23 Ų | 23 | 30.7 Ų | 30.7 | 24% | 0.237 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 130.6 | 170.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | R170 F276 | R170-G174 PolarHBondContact NH1-O 2.93Å; G174-F276 VanDerWaalsContact C-CD1 3.48Å |
| 175 | K | 90.3 | Very high | 95.5 | Very high | 10 Ų | 10 | 33.6 Ų | 33.6 | 4% | 0.043 | 17% | 0.174 | C | C | . | . | trans | -80.7 | 142.6 | 177.1 | -52 | 175.9 | -102.1 | -178.9 | 0 | 110.5 | D177 A178 M179 F276 F326 | K175-D177 WeakPolarHBondContact CB-OD1 3.34Å; K175-A178 HydrophobicContact CB-CB 3.9Å; K175-A178 PolarHBondContact O-N 2.7Å; K175-M179 VanDerWaalsContact O-CG 3.25Å; K175-M179 WeakPolarHBondContact O-CG 3.11Å; K175-M179 PolarHBondContact O-N 2.92Å; K175-F276 HydrophobicContact CB-CD1 4.13Å; K175-F276 HydrophobicContact CB-CE1 3.99Å; K175-F276 HydrophobicContact CB-CZ 4.47Å; K175-F276 HydrophobicContact CD-CE1 3.94Å; K175-F276 HydrophobicContact CD-CE2 4.08Å; K175-F276 HydrophobicContact CD-CZ 3.53Å; K175-F276 HydrophobicContact CG-CD1 3.37Å; K175-F276 HydrophobicContact CG-CD2 4.25Å; K175-F276 HydrophobicContact CG-CE1 2.95Å; K175-F276 HydrophobicContact CG-CE2 3.85Å; K175-F276 HydrophobicContact CG-CG 3.96Å; K175-F276 HydrophobicContact CG-CZ 3.09Å; K175-F326 WeakPolarHBondContact CE-OXT 3.44Å | ||
| 176 | F | 94.1 | Very high | 95.5 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 4% | 0.035 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.8 | -42.9 | -179.2 | 176.5 | -120.7 | 0 | 0 | 0 | 112.7 | F26 L165 V167 M179 I180 I201 Y285 | F26-F176 AromaticContact CE2-CD2 3.83Å; F26-F176 HydrophobicContact CE2-CD2 3.83Å; F26-F176 HydrophobicContact CE2-CE2 4.19Å; F26-F176 AromaticContact CZ-CD2 3.66Å; F26-F176 HydrophobicContact CZ-CD2 3.66Å; F26-F176 HydrophobicContact CZ-CE2 4.27Å; L165-F176 HydrophobicContact CD2-CE2 4Å; L165-F176 HydrophobicContact CD2-CZ 3.59Å; L165-F176 HydrophobicContact CG-CZ 4.28Å; V167-F176 HydrophobicContact CG1-CE2 4.37Å; V167-F176 HydrophobicContact CG2-CD2 4.08Å; V167-F176 HydrophobicContact CG2-CE2 3.42Å; V167-F176 VanDerWaalsContact CG2-CE2 3.42Å; V167-F176 HydrophobicContact CG2-CZ 3.93Å; F176-M179 WeakPolarHBondContact O-CB 3.37Å; F176-M179 PolarHBondContact O-N 3.42Å; F176-I180 HydrophobicContact CD1-CD1 4.26Å; F176-I180 HydrophobicContact CE1-CD1 3.81Å; F176-I180 HydrophobicContact CE2-CD1 4.3Å; F176-I180 HydrophobicContact CE2-CG1 4.44Å; F176-I180 HydrophobicContact CZ-CD1 3.85Å; F176-I180 HydrophobicContact CZ-CG1 4.43Å; F176-I180 WeakPolarHBondContact O-CG1 3.49Å; F176-I180 PolarHBondContact O-N 3.23Å; F176-I180 VanDerWaalsContact O-N 3.13Å; F176-I201 HydrophobicContact CD1-CD1 4.01Å; F176-I201 HydrophobicContact CD1-CG2 3.83Å; F176-I201 HydrophobicContact CE1-CD1 3.97Å; F176-I201 HydrophobicContact CE1-CG1 4.11Å; F176-I201 HydrophobicContact CE1-CG2 3.65Å; F176-Y285 HydrophobicContact CB-CD2 4.27Å; F176-Y285 HydrophobicContact CB-CE1 4.32Å; F176-Y285 HydrophobicContact CB-CE2 3.92Å; F176-Y285 AromaticContact CD1-CD1 3.76Å; F176-Y285 HydrophobicContact CD1-CD1 3.76Å; F176-Y285 HydrophobicContact CD1-CD2 4.15Å; F176-Y285 HydrophobicContact CD1-CE1 4.17Å; F176-Y285 AromaticContact CD1-CG 3.74Å; F176-Y285 HydrophobicContact CD1-CG 3.74Å; F176-Y285 HydrophobicContact CD2-CD2 4.09Å; F176-Y285 HydrophobicContact CD2-CG 4.39Å; F176-Y285 HydrophobicContact CE1-CD1 4.14Å; F176-Y285 AromaticContact CE1-CG 3.9Å; F176-Y285 HydrophobicContact CE1-CG 3.9Å; F176-Y285 HydrophobicContact CE2-CD2 4.49Å; F176-Y285 HydrophobicContact CG-CD1 4.26Å; F176-Y285 AromaticContact CG-CD2 3.9Å; F176-Y285 HydrophobicContact CG-CD2 3.9Å; F176-Y285 HydrophobicContact CG-CE1 4.42Å; F176-Y285 HydrophobicContact CG-CE2 4.07Å; F176-Y285 AromaticContact CG-CG 3.98Å; F176-Y285 HydrophobicContact CG-CG 3.98Å; F176-Y285 HydrophobicContact CZ-CG 4.28Å |
| 177 | D | 93.5 | Very high | 95.4 | Very high | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.053 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.1 | -39.5 | 175.3 | 61 | -29.9 | 0 | 0 | 0 | 112.4 | K175 M179 I180 R181 F261 | K175-D177 WeakPolarHBondContact CB-OD1 3.34Å; D177-M179 VanDerWaalsContact C-N 3.31Å; D177-M179 PolarHBondContact O-N 3.46Å; D177-I180 WeakPolarHBondContact O-CB 2.94Å; D177-I180 PolarHBondContact O-N 3.44Å; D177-R181 PolarHBondContact O-N 3.13Å; D177-F261 HydrophobicContact CB-CD2 3.59Å; D177-F261 HydrophobicContact CB-CE2 3.85Å; D177-F261 HydrophobicContact CB-CG 4.35Å |
| 178 | A | 93.8 | Very high | 95.5 | Very high | 10 Ų | 10 | 41 Ų | 41 | 8% | 0.083 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.4 | -38.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K175 I180 R181 E182 | K175-A178 HydrophobicContact CB-CB 3.9Å; K175-A178 PolarHBondContact O-N 2.7Å; A178-I180 VanDerWaalsContact C-N 3.35Å; A178-I180 PolarHBondContact O-N 2.86Å; A178-R181 PolarHBondContact O-N 3.33Å; A178-E182 VanDerWaalsContact O-CG 3.3Å; A178-E182 WeakPolarHBondContact O-CG 3.45Å; A178-E182 PolarHBondContact O-N 3.07Å |
| 179 | M | 96 | Very high | 95.5 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.5 | -36.4 | 174.9 | -68.4 | 167.1 | 179.8 | 0 | 0 | 112.6 | L22 C25 F26 R172 K175 F176 D177 E182 A183 | L22-M179 HydrophobicContact CD2-CB 3.6Å; L22-M179 HydrophobicContact CD2-CG 4.47Å; L22-M179 HydrophobicContact CD2-SD 4.44Å; C25-M179 HydrophobicContact CB-CE 4.18Å; C25-M179 HydrophobicContact CB-CG 4.49Å; C25-M179 HydrophobicContact CB-SD 3.72Å; F26-M179 HydrophobicContact CE2-SD 3.55Å; F26-M179 VanDerWaalsContact CE2-SD 3.55Å; F26-M179 HydrophobicContact CZ-SD 3.98Å; R172-M179 HydrophobicContact CB-CE 4.5Å; R172-M179 VanDerWaalsContact NH2-CG 3.34Å; R172-M179 WeakPolarHBondContact O-CE 3.37Å; K175-M179 VanDerWaalsContact O-CG 3.25Å; K175-M179 WeakPolarHBondContact O-CG 3.11Å; K175-M179 PolarHBondContact O-N 2.92Å; F176-M179 WeakPolarHBondContact O-CB 3.37Å; F176-M179 PolarHBondContact O-N 3.42Å; D177-M179 VanDerWaalsContact C-N 3.31Å; D177-M179 PolarHBondContact O-N 3.46Å; M179-E182 PolarHBondContact O-N 3.03Å; M179-A183 PolarHBondContact O-N 2.97Å |
| 180 | I | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.8 | -48.1 | 173.9 | -65.8 | 167.3 | 0 | 0 | 0 | 109.8 | L165 F176 D177 A178 E182 A183 L184 L197 I201 A246 F289 | L165-I180 HydrophobicContact CD2-CD1 4.13Å; L165-I180 HydrophobicContact CD2-CG1 4.15Å; F176-I180 HydrophobicContact CD1-CD1 4.26Å; F176-I180 HydrophobicContact CE1-CD1 3.81Å; F176-I180 HydrophobicContact CE2-CD1 4.3Å; F176-I180 HydrophobicContact CE2-CG1 4.44Å; F176-I180 HydrophobicContact CZ-CD1 3.85Å; F176-I180 HydrophobicContact CZ-CG1 4.43Å; F176-I180 WeakPolarHBondContact O-CG1 3.49Å; F176-I180 PolarHBondContact O-N 3.23Å; F176-I180 VanDerWaalsContact O-N 3.13Å; D177-I180 WeakPolarHBondContact O-CB 2.94Å; D177-I180 PolarHBondContact O-N 3.44Å; A178-I180 VanDerWaalsContact C-N 3.35Å; A178-I180 PolarHBondContact O-N 2.86Å; I180-E182 VanDerWaalsContact C-N 3.31Å; I180-E182 PolarHBondContact O-N 3.15Å; I180-A183 WeakPolarHBondContact O-CB 3.32Å; I180-A183 PolarHBondContact O-N 2.91Å; I180-A183 VanDerWaalsContact O-N 3.17Å; I180-L184 WeakPolarHBondContact O-CG 3.34Å; I180-L184 PolarHBondContact O-N 2.62Å; I180-L184 VanDerWaalsContact O-N 3.12Å; I180-L197 HydrophobicContact CG2-CD1 4.27Å; I180-I201 HydrophobicContact CD1-CD1 4.16Å; I180-A246 HydrophobicContact CG2-CB 4.29Å; I180-F289 HydrophobicContact CD1-CE1 4.39Å; I180-F289 HydrophobicContact CD1-CE2 4.07Å; I180-F289 HydrophobicContact CD1-CZ 3.57Å |
| 181 | R | 97.3 | Very high | 95.7 | Very high | 54 Ų | 54 | 47.8 Ų | 47.8 | 20% | 0.204 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59 | -41 | 176 | 176.7 | -135 | 71.6 | 129.1 | -12.3 | 112.1 | D177 A178 A183 L184 H185 A246 L258 E259 | D177-R181 PolarHBondContact O-N 3.13Å; A178-R181 PolarHBondContact O-N 3.33Å; R181-A183 PolarHBondContact O-N 3.26Å; R181-L184 WeakPolarHBondContact O-CB 3.38Å; R181-L184 PolarHBondContact O-N 2.96Å; R181-H185 WeakPolarHBondContact O-CB 3.29Å; R181-H185 PolarHBondContact O-N 2.97Å; R181-A246 HydrophobicContact CB-CB 4.34Å; R181-L258 HydrophobicContact CG-CB 4.03Å; R181-E259 HydrophobicContact CB-CB 4.17Å; R181-E259 WeakPolarHBondContact CD-OE2 3.47Å; R181-E259 HydrophobicContact CG-CB 4.45Å |
| 182 | E | 97.9 | Very high | 95.8 | Very high | 51 Ų | 51 | 50.1 Ų | 50.1 | 24% | 0.238 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 174.3 | -76.8 | 171.3 | -158.6 | 0 | 0 | 112.4 | H21 R172 A178 M179 I180 L184 H185 V186 | H21-E182 IonicContact NE2-OE2 3.49Å; H21-E182 PolarHBondContact NE2-OE2 3.42Å; R172-E182 IonicContact CZ-OE2 3.33Å; R172-E182 IonicContact NH1-OE2 3.1Å; R172-E182 PolarHBondContact NH1-OE2 2.62Å; R172-E182 VanDerWaalsContact NH1-OE2 3.1Å; R172-E182 IonicContact NH2-OE1 3.53Å; R172-E182 IonicContact NH2-OE2 2.67Å; R172-E182 PolarHBondContact NH2-OE2 2.76Å; A178-E182 VanDerWaalsContact O-CG 3.3Å; A178-E182 WeakPolarHBondContact O-CG 3.45Å; A178-E182 PolarHBondContact O-N 3.07Å; M179-E182 PolarHBondContact O-N 3.03Å; I180-E182 VanDerWaalsContact C-N 3.31Å; I180-E182 PolarHBondContact O-N 3.15Å; E182-L184 VanDerWaalsContact C-N 3.29Å; E182-L184 PolarHBondContact O-N 2.64Å; E182-H185 PolarHBondContact O-N 3.19Å; E182-H185 VanDerWaalsContact O-N 3.13Å; E182-V186 WeakPolarHBondContact O-CG2 3.38Å; E182-V186 PolarHBondContact O-N 2.85Å |
| 183 | A | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.3 | -43.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I18 H21 M179 I180 R181 K187 | I18-A183 HydrophobicContact CG1-CB 4.27Å; H21-A183 HydrophobicContact CB-CB 3.5Å; H21-A183 VanDerWaalsContact CB-CB 3.5Å; M179-A183 PolarHBondContact O-N 2.97Å; I180-A183 WeakPolarHBondContact O-CB 3.32Å; I180-A183 PolarHBondContact O-N 2.91Å; I180-A183 VanDerWaalsContact O-N 3.17Å; R181-A183 PolarHBondContact O-N 3.26Å; A183-K187 PolarHBondContact O-N 2.77Å |
| 184 | L | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 174.5 | -62.4 | 177.8 | 0 | 0 | 0 | 111.8 | V14 I180 R181 E182 K187 Y188 V195 L197 A246 | V14-L184 HydrophobicContact CG1-CD2 4.02Å; I180-L184 WeakPolarHBondContact O-CG 3.34Å; I180-L184 PolarHBondContact O-N 2.62Å; I180-L184 VanDerWaalsContact O-N 3.12Å; R181-L184 WeakPolarHBondContact O-CB 3.38Å; R181-L184 PolarHBondContact O-N 2.96Å; E182-L184 VanDerWaalsContact C-N 3.29Å; E182-L184 PolarHBondContact O-N 2.64Å; L184-K187 PolarHBondContact O-N 2.81Å; L184-Y188 HydrophobicContact CD2-CD2 4.23Å; L184-Y188 HydrophobicContact CD2-CE2 4.25Å; L184-Y188 WeakPolarHBondContact O-CA 3.18Å; L184-Y188 WeakPolarHBondContact O-CB 3.37Å; L184-Y188 WeakPolarHBondContact O-CD2 3.22Å; L184-Y188 PolarHBondContact O-N 2.73Å; L184-V195 HydrophobicContact CD2-CG1 4.3Å; L184-L197 HydrophobicContact CD1-CD1 3.89Å; L184-L197 HydrophobicContact CD1-CG 3.85Å; L184-L197 HydrophobicContact CD2-CD1 3.98Å; L184-L197 HydrophobicContact CD2-CG 4.26Å; L184-L197 HydrophobicContact CG-CD1 4.34Å; L184-A246 HydrophobicContact CD1-CB 4.1Å |
| 185 | H | 98.5 | Very high | 96.9 | Very high | 89 Ų | 89 | 41 Ų | 41 | 41% | 0.412 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.9 | -46.2 | 179.5 | -176.7 | 70.1 | 0 | 0 | 0 | 112.2 | R181 E182 K187 Y188 G189 S248 | R181-H185 WeakPolarHBondContact O-CB 3.29Å; R181-H185 PolarHBondContact O-N 2.97Å; E182-H185 PolarHBondContact O-N 3.19Å; E182-H185 VanDerWaalsContact O-N 3.13Å; H185-K187 PolarHBondContact O-N 3.38Å; H185-Y188 PolarHBondContact O-N 3.4Å; H185-G189 WeakPolarHBondContact O-CA 3.28Å; H185-G189 PolarHBondContact O-N 2.9Å; H185-S248 WeakPolarHBondContact CA-O 3.41Å; H185-S248 WeakPolarHBondContact CB-O 3.2Å; H185-S248 PolarHBondContact ND1-O 3.46Å |
| 186 | V | 98.3 | Very high | 97.3 | Very high | 102 Ų | 102 | 40.5 Ų | 40.5 | 62% | 0.618 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -57.7 | -40.8 | 178.3 | 168 | 0 | 0 | 0 | 0 | 110.9 | E182 | E182-V186 WeakPolarHBondContact O-CG2 3.38Å; E182-V186 PolarHBondContact O-N 2.85Å |
| 187 | K | 98.4 | Very high | 97.5 | Very high | 94 Ų | 94 | 40.2 Ų | 40.2 | 41% | 0.409 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -83.1 | -38 | -177.5 | -178.1 | 64.2 | 178.2 | -179.9 | 0 | 113.7 | E13 A17 A183 L184 H185 H190 | E13-K187 WeakPolarHBondContact OE1-CE 3.36Å; A17-K187 HydrophobicContact CB-CB 3.98Å; A17-K187 HydrophobicContact CB-CD 4.35Å; A17-K187 HydrophobicContact CB-CG 3.84Å; A183-K187 PolarHBondContact O-N 2.77Å; L184-K187 PolarHBondContact O-N 2.81Å; H185-K187 PolarHBondContact O-N 3.38Å; K187-H190 PolarHBondContact O-CE1 2.86Å |
| 188 | Y | 98.5 | Very high | 97.7 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -125.6 | -3.3 | -165.6 | -54.8 | -65.9 | 0 | 0 | 0 | 114.3 | P9 E13 V14 L184 H185 H190 L191 V195 H249 | P9-Y188 HydrophobicContact CB-CE1 4.34Å; P9-Y188 HydrophobicContact CG-CD1 4.44Å; P9-Y188 HydrophobicContact CG-CE1 3.67Å; P9-Y188 HydrophobicContact CG-CE2 4.38Å; E13-Y188 WeakPolarHBondContact OE1-CE1 3.3Å; E13-Y188 PolarHBondContact OE1-OH 2.8Å; V14-Y188 HydrophobicContact CG2-CE2 4.3Å; L184-Y188 HydrophobicContact CD2-CD2 4.23Å; L184-Y188 HydrophobicContact CD2-CE2 4.25Å; L184-Y188 WeakPolarHBondContact O-CA 3.18Å; L184-Y188 WeakPolarHBondContact O-CB 3.37Å; L184-Y188 WeakPolarHBondContact O-CD2 3.22Å; L184-Y188 PolarHBondContact O-N 2.73Å; H185-Y188 PolarHBondContact O-N 3.4Å; Y188-H190 PolarHBondContact O-N 2.96Å; Y188-H190 VanDerWaalsContact O-N 3.1Å; Y188-L191 HydrophobicContact CD1-CD1 3.8Å; Y188-L191 WeakPolarHBondContact O-CB 3.46Å; Y188-L191 PolarHBondContact O-N 2.75Å; Y188-L191 VanDerWaalsContact O-N 3.08Å; Y188-V195 HydrophobicContact CD1-CG2 3.69Å; Y188-V195 HydrophobicContact CD2-CB 3.85Å; Y188-V195 HydrophobicContact CD2-CG1 4.22Å; Y188-V195 HydrophobicContact CD2-CG2 3.64Å; Y188-V195 HydrophobicContact CE1-CG2 4.14Å; Y188-V195 HydrophobicContact CE2-CB 4.39Å; Y188-V195 HydrophobicContact CE2-CG1 4.31Å; Y188-V195 HydrophobicContact CE2-CG2 4.1Å; Y188-V195 HydrophobicContact CG-CB 4.05Å; Y188-V195 HydrophobicContact CG-CG2 3.42Å; Y188-V195 VanDerWaalsContact CG-CG2 3.42Å; Y188-H249 PolarHBondContact O-ND1 2.91Å |
| 189 | G | 97.5 | Very high | 98 | Very high | 23 Ų | 23 | 39.2 Ų | 39.2 | 24% | 0.237 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -16.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | H185 | H185-G189 WeakPolarHBondContact O-CA 3.28Å; H185-G189 PolarHBondContact O-N 2.9Å |
| 190 | H | 96.5 | Very high | 98.1 | Very high | 145 Ų | 145 | 39.2 Ų | 39.2 | 67% | 0.671 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -4.9 | 178.5 | 63.9 | -88.9 | 0 | 0 | 0 | 113.7 | K187 Y188 | K187-H190 PolarHBondContact O-CE1 2.86Å; Y188-H190 PolarHBondContact O-N 2.96Å; Y188-H190 VanDerWaalsContact O-N 3.1Å |
| 191 | L | 97.6 | Very high | 98.1 | Very high | 57 Ų | 57 | 39.4 Ų | 39.4 | 30% | 0.298 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -82.2 | 156.5 | 179.5 | -59.3 | -176.9 | 0 | 0 | 0 | 111.2 | Y188 H249 | Y188-L191 HydrophobicContact CD1-CD1 3.8Å; Y188-L191 WeakPolarHBondContact O-CB 3.46Å; Y188-L191 PolarHBondContact O-N 2.75Å; Y188-L191 VanDerWaalsContact O-N 3.08Å; L191-H249 PolarHBondContact O-CE1 3.28Å; L191-H249 PolarHBondContact O-NE2 3.34Å |
| 192 | N | 96.2 | Very high | 98.1 | Very high | 147 Ų | 147 | 37.1 Ų | 37.1 | 79% | 0.786 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -70.3 | -37 | 175 | -70.6 | -21.5 | 0 | 0 | 0 | 112.8 | ||
| 193 | N | 97.9 | Very high | 98.1 | Very high | 55 Ų | 55 | 34.8 Ų | 34.8 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -104.2 | 131.8 | 177.8 | -66.4 | 2.5 | 0 | 0 | 0 | 108.6 | K5 H7 | K5-N193 PolarHBondContact O-ND2 3.49Å; H7-N193 HydrophobicContact CB-CB 4.05Å |
| 194 | A | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -72 | 154.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L6 H7 V247 S248 H249 P251 | L6-A194 WeakPolarHBondContact CB-O 3.44Å; L6-A194 HydrophobicContact CD2-CB 4.15Å; H7-A194 PolarHBondContact N-O 2.94Å; A194-V247 HydrophobicContact CB-CG1 3.64Å; A194-S248 WeakPolarHBondContact CA-OG 3.33Å; A194-S248 WeakPolarHBondContact CB-OG 3.24Å; A194-H249 WeakPolarHBondContact CA-CE1 3.45Å; A194-H249 PolarHBondContact N-NE2 3.01Å; A194-P251 HydrophobicContact CB-CB 4.15Å; A194-P251 HydrophobicContact CB-CG 3.95Å | ||
| 195 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -96.2 | 126.1 | 163.8 | 178.2 | 0 | 0 | 0 | 0 | 107.5 | H7 P9 V14 L184 Y188 V247 S248 I291 | H7-V195 HydrophobicContact CB-CG2 4.06Å; P9-V195 HydrophobicContact CG-CG1 4.24Å; P9-V195 HydrophobicContact CG-CG2 3.68Å; V14-V195 HydrophobicContact CG2-CG1 4.47Å; L184-V195 HydrophobicContact CD2-CG1 4.3Å; Y188-V195 HydrophobicContact CD1-CG2 3.69Å; Y188-V195 HydrophobicContact CD2-CB 3.85Å; Y188-V195 HydrophobicContact CD2-CG1 4.22Å; Y188-V195 HydrophobicContact CD2-CG2 3.64Å; Y188-V195 HydrophobicContact CE1-CG2 4.14Å; Y188-V195 HydrophobicContact CE2-CB 4.39Å; Y188-V195 HydrophobicContact CE2-CG1 4.31Å; Y188-V195 HydrophobicContact CE2-CG2 4.1Å; Y188-V195 HydrophobicContact CG-CB 4.05Å; Y188-V195 HydrophobicContact CG-CG2 3.42Å; Y188-V195 VanDerWaalsContact CG-CG2 3.42Å; V195-V247 WeakPolarHBondContact O-CA 3.41Å; V195-S248 PolarHBondContact N-OG 2.85Å; V195-S248 PolarHBondContact O-N 2.82Å; V195-I291 HydrophobicContact CG1-CG2 4.42Å | ||
| 196 | G | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 134.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A246 A292 | G196-A246 CarbonylContact C-O 3.56Å; G196-A246 WeakPolarHBondContact CA-O 3.23Å; G196-A292 PolarHBondContact O-N 3.06Å |
| 197 | L | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 148.5 | 171.6 | -59.4 | -174.2 | 0 | 0 | 0 | 110.2 | V14 I18 I180 L184 I245 A246 F289 S290 I291 | V14-L197 HydrophobicContact CG1-CD1 4.26Å; V14-L197 HydrophobicContact CG1-CD2 4.15Å; I18-L197 HydrophobicContact CD1-CD1 3.83Å; I180-L197 HydrophobicContact CG2-CD1 4.27Å; L184-L197 HydrophobicContact CD1-CD1 3.89Å; L184-L197 HydrophobicContact CD1-CG 3.85Å; L184-L197 HydrophobicContact CD2-CD1 3.98Å; L184-L197 HydrophobicContact CD2-CG 4.26Å; L184-L197 HydrophobicContact CG-CD1 4.34Å; L197-I245 CarbonylContact O-C 3.42Å; L197-I245 WeakPolarHBondContact O-CA 3.48Å; L197-I245 WeakPolarHBondContact O-CB 3.49Å; L197-A246 PolarHBondContact N-O 2.82Å; L197-A246 PolarHBondContact O-N 2.97Å; L197-F289 HydrophobicContact CD1-CB 4.41Å; L197-S290 WeakPolarHBondContact CA-O 3.28Å; L197-I291 HydrophobicContact CD2-CB 4.3Å; L197-I291 HydrophobicContact CD2-CG1 3.72Å |
| 198 | G | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 152.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | G244 F289 S290 | G198-G244 WeakPolarHBondContact CA-O 3.25Å; G198-F289 WeakPolarHBondContact O-CA 3.39Å; G198-S290 PolarHBondContact N-O 3.34Å; G198-S290 VanDerWaalsContact N-O 3.08Å; G198-S290 PolarHBondContact O-N 3.15Å |
| 199 | G | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.7 | -158.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | V243 G244 Y288 | G199-V243 WeakPolarHBondContact O-CA 3.49Å; G199-G244 PolarHBondContact N-O 2.79Å; G199-G244 VanDerWaalsContact N-O 3.14Å; G199-G244 PolarHBondContact O-N 3.08Å; G199-Y288 VanDerWaalsContact CA-O 3.26Å; G199-Y288 WeakPolarHBondContact CA-O 3.27Å |
| 200 | V | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 139.8 | -175 | 62.9 | 0 | 0 | 0 | 0 | 110.3 | L39 L46 L51 I241 S242 V243 G287 Y288 | L39-V200 HydrophobicContact CD1-CG1 4.06Å; L39-V200 HydrophobicContact CD2-CG1 3.97Å; L46-V200 HydrophobicContact CD1-CB 4.27Å; L46-V200 HydrophobicContact CD1-CG2 4.47Å; L51-V200 HydrophobicContact CD1-CG1 4.49Å; V200-I241 HydrophobicContact CG2-CG2 3.57Å; V200-S242 CarbonylContact C-O 3.56Å; V200-S242 VanDerWaalsContact CA-O 3.32Å; V200-S242 WeakPolarHBondContact CA-O 3.35Å; V200-V243 HydrophobicContact CB-CG1 4.21Å; V200-V243 HydrophobicContact CG2-CG1 4.05Å; V200-G287 CarbonylContact O-C 3.48Å; V200-G287 VanDerWaalsContact O-CA 3.29Å; V200-G287 WeakPolarHBondContact O-CA 3.19Å; V200-Y288 HydrophobicContact CG1-CD2 4.26Å; V200-Y288 PolarHBondContact N-O 3.05Å; V200-Y288 PolarHBondContact O-N 2.71Å |
| 201 | I | 98.3 | Very high | 96.7 | Very high | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 132.9 | 174 | -63.2 | 165.4 | 0 | 0 | 0 | 107.6 | F176 I180 I241 S242 F261 Y285 R286 F289 | F176-I201 HydrophobicContact CD1-CD1 4.01Å; F176-I201 HydrophobicContact CD1-CG2 3.83Å; F176-I201 HydrophobicContact CE1-CD1 3.97Å; F176-I201 HydrophobicContact CE1-CG1 4.11Å; F176-I201 HydrophobicContact CE1-CG2 3.65Å; I180-I201 HydrophobicContact CD1-CD1 4.16Å; I201-I241 CarbonylContact O-C 3.46Å; I201-I241 WeakPolarHBondContact O-CA 3.42Å; I201-S242 PolarHBondContact N-O 3.39Å; I201-S242 PolarHBondContact O-N 2.92Å; I201-F261 HydrophobicContact CD1-CD1 4.05Å; I201-F261 HydrophobicContact CD1-CE1 3.8Å; I201-F261 HydrophobicContact CD1-CZ 4.15Å; I201-F261 HydrophobicContact CG1-CE1 4.38Å; I201-Y285 HydrophobicContact CG2-CD1 3.84Å; I201-R286 CarbonylContact C-O 3.55Å; I201-R286 WeakPolarHBondContact CA-O 3.35Å; I201-F289 HydrophobicContact CD1-CE1 4.26Å; I201-F289 HydrophobicContact CD1-CZ 3.92Å; I201-F289 HydrophobicContact CG1-CE1 4.03Å; I201-F289 HydrophobicContact CG1-CZ 3.57Å |
| 202 | V | 98 | Very high | 96.6 | Very high | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.03 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 114.6 | 169.4 | -174.6 | 0 | 0 | 0 | 0 | 107.3 | P43 Y44 E204 P239 V240 Y285 R286 | P43-V202 HydrophobicContact CG-CG1 4.05Å; P43-V202 HydrophobicContact CG-CG2 4.33Å; Y44-V202 HydrophobicContact CD1-CG2 3.73Å; Y44-V202 HydrophobicContact CE1-CG2 3.75Å; V202-E204 HydrophobicContact CG1-CG 4.11Å; V202-E204 PolarHBondContact O-N 3.03Å; V202-P239 HydrophobicContact CG1-CB 4.27Å; V202-V240 CarbonylContact C-O 3.6Å; V202-V240 WeakPolarHBondContact CA-O 3.32Å; V202-Y285 CarbonylContact O-C 3.57Å; V202-Y285 WeakPolarHBondContact O-CA 3.48Å; V202-R286 PolarHBondContact N-O 3.47Å; V202-R286 PolarHBondContact O-N 2.78Å |
| 203 | Q | 97.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 19.2 Ų | 19.2 | 1% | 0.014 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 110.8 | 160.2 | -169.9 | 176.8 | -30.4 | 0 | 0 | 107.1 | Q205 K207 S238 P239 V240 V283 Y285 | Q203-Q205 WeakPolarHBondContact CG-O 3.24Å; Q203-Q205 PolarHBondContact NE2-O 2.99Å; Q203-K207 PolarHBondContact NE2-O 2.75Å; Q203-K207 VanDerWaalsContact NE2-O 3.13Å; Q203-S238 WeakPolarHBondContact O-CB 3.39Å; Q203-S238 PolarHBondContact O-OG 3.14Å; Q203-P239 VanDerWaalsContact O-CA 3.3Å; Q203-P239 WeakPolarHBondContact O-CA 3.3Å; Q203-V240 HydrophobicContact CB-CB 4.09Å; Q203-V240 PolarHBondContact N-O 3.13Å; Q203-V240 PolarHBondContact O-N 3.18Å; Q203-V240 VanDerWaalsContact O-N 3.08Å; Q203-V283 HydrophobicContact CG-CG2 3.88Å; Q203-Y285 HydrophobicContact CB-CD1 3.73Å; Q203-Y285 HydrophobicContact CB-CE1 3.52Å; Q203-Y285 HydrophobicContact CG-CD1 3.92Å; Q203-Y285 HydrophobicContact CG-CE1 3.48Å; Q203-Y285 VanDerWaalsContact CG-CE1 3.48Å; Q203-Y285 PolarHBondContact OE1-OH 2.62Å |
| 204 | E | 96.3 | Very high | 96.4 | Very high | 66 Ų | 66 | 17.4 Ų | 17.4 | 31% | 0.308 | 9% | 0.09 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -28.8 | -174.5 | -60.1 | 173.9 | 142 | 0 | 0 | 111.6 | V202 S238 S284 R286 | V202-E204 HydrophobicContact CG1-CG 4.11Å; V202-E204 PolarHBondContact O-N 3.03Å; E204-S238 WeakPolarHBondContact O-CB 3.3Å; E204-S284 WeakPolarHBondContact CB-OG 3.09Å; E204-S284 PolarHBondContact N-O 2.91Å; E204-S284 PolarHBondContact OE2-OG 3.21Å; E204-R286 HydrophobicContact CG-CB 4.41Å; E204-R286 IonicContact OE1-CZ 3.17Å; E204-R286 IonicContact OE1-NE 2.74Å; E204-R286 PolarHBondContact OE1-NE 3.3Å; E204-R286 IonicContact OE1-NH2 3.21Å; E204-R286 PolarHBondContact OE1-NH2 3.33Å |
| 205 | Q | 94.8 | Very high | 96.2 | Very high | 117 Ų | 117 | 22.2 Ų | 22.2 | 55% | 0.547 | 11% | 0.113 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 147.5 | -179.1 | -63.8 | -173.6 | 35.4 | 0 | 0 | 112.2 | Q203 S238 V283 | Q203-Q205 WeakPolarHBondContact CG-O 3.24Å; Q203-Q205 PolarHBondContact NE2-O 2.99Å; Q205-S238 VanDerWaalsContact C-OG 3.22Å; Q205-S238 PolarHBondContact O-OG 3.11Å; Q205-V283 WeakPolarHBondContact O-CG2 3.23Å |
| 206 | G | 91.7 | Very high | 96.1 | Very high | 25 Ų | 25 | 22.9 Ų | 22.9 | 26% | 0.258 | 12% | 0.116 | S | C | . | . | S | Bend | trans | 97 | -165.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S238 | G206-S238 PolarHBondContact N-OG 3.3Å; G206-S238 WeakPolarHBondContact O-CB 3.21Å; G206-S238 PolarHBondContact O-N 3.24Å; G206-S238 PolarHBondContact O-OG 3.16Å |
| 207 | K | 93.1 | Very high | 95.9 | Very high | 65 Ų | 65 | 24.8 Ų | 24.8 | 28% | 0.283 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 149 | 177.1 | -59.9 | -170.4 | 177.5 | -165.3 | 0 | 109.7 | Q203 M236 E237 D277 T278 | Q203-K207 PolarHBondContact NE2-O 2.75Å; Q203-K207 VanDerWaalsContact NE2-O 3.13Å; K207-M236 CarbonylContact C-O 3.6Å; K207-M236 WeakPolarHBondContact CA-O 3.42Å; K207-E237 HydrophobicContact CD-CG 4.49Å; K207-E237 WeakPolarHBondContact CE-OE1 3.42Å; K207-E237 HydrophobicContact CG-CG 4.32Å; K207-E237 IonicContact NZ-OE1 3.18Å; K207-E237 PolarHBondContact NZ-OE1 3.11Å; K207-D277 WeakPolarHBondContact O-CA 3.38Å; K207-D277 VanDerWaalsContact O-CB 3.28Å; K207-D277 WeakPolarHBondContact O-CB 3.35Å; K207-T278 WeakPolarHBondContact CB-OG1 3.21Å; K207-T278 PolarHBondContact O-N 2.9Å; K207-T278 VanDerWaalsContact O-N 3.1Å |
| 208 | S | 92.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.8 | 177 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | E235 M236 | S208-E235 CarbonylContact O-C 3.59Å; S208-E235 VanDerWaalsContact O-CA 3.3Å; S208-E235 WeakPolarHBondContact O-CA 3.23Å; S208-M236 PolarHBondContact N-O 2.93Å; S208-M236 PolarHBondContact O-N 3.1Å |
| 209 | L | 94.7 | Very high | 95.4 | Very high | 40 Ų | 40 | 40 Ų | 40 | 21% | 0.209 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 132.4 | 167.4 | -166.5 | 75.6 | 0 | 0 | 0 | 108.7 | M233 F234 E235 H275 F276 T278 | L209-M233 HydrophobicContact CD1-CB 4.32Å; L209-M233 HydrophobicContact CD2-SD 4.2Å; L209-M233 HydrophobicContact CG-SD 4.27Å; L209-F234 WeakPolarHBondContact CA-O 3.34Å; L209-F234 WeakPolarHBondContact CD1-O 3.38Å; L209-E235 HydrophobicContact CD1-CG 4.09Å; L209-H275 HydrophobicContact CB-CB 4.44Å; L209-H275 WeakPolarHBondContact O-CB 3.39Å; L209-H275 PolarHBondContact O-N 2.78Å; L209-F276 WeakPolarHBondContact CB-O 3.49Å; L209-F276 PolarHBondContact N-O 2.92Å; L209-T278 HydrophobicContact CB-CG2 4.02Å |
| 210 | Y | 95.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 163.9 | 175.7 | 71 | -75.1 | 0 | 0 | 0 | 109.5 | P136 V212 M233 F234 M236 N270 C271 H273 | P136-Y210 HydrophobicContact CB-CE2 4.49Å; P136-Y210 WeakPolarHBondContact CG-OH 3.39Å; Y210-V212 HydrophobicContact CD2-CG1 4.38Å; Y210-V212 HydrophobicContact CE2-CG1 4Å; Y210-M233 CarbonylContact O-C 3.47Å; Y210-M233 WeakPolarHBondContact O-CA 3.29Å; Y210-F234 HydrophobicContact CD1-CB 4.27Å; Y210-F234 WeakPolarHBondContact CD1-O 3.33Å; Y210-F234 HydrophobicContact CE1-CB 3.57Å; Y210-F234 HydrophobicContact CE2-CB 4.24Å; Y210-F234 PolarHBondContact N-O 2.86Å; Y210-F234 PolarHBondContact O-N 3.4Å; Y210-F234 VanDerWaalsContact O-O 3.14Å; Y210-M236 HydrophobicContact CD1-CB 4.31Å; Y210-M236 HydrophobicContact CD1-CE 3.3Å; Y210-M236 HydrophobicContact CD1-CG 3.91Å; Y210-M236 HydrophobicContact CD1-SD 4.44Å; Y210-M236 HydrophobicContact CD2-CE 3.61Å; Y210-M236 HydrophobicContact CE1-CB 3.83Å; Y210-M236 HydrophobicContact CE1-CE 3.38Å; Y210-M236 HydrophobicContact CE1-CG 3.94Å; Y210-M236 HydrophobicContact CE2-CE 3.68Å; Y210-M236 HydrophobicContact CG-CE 3.41Å; Y210-M236 VanDerWaalsContact CG-CE 3.41Å; Y210-N270 WeakPolarHBondContact OH-CB 3.45Å; Y210-N270 VanDerWaalsContact OH-CG 3.31Å; Y210-N270 PolarHBondContact OH-OD1 2.98Å; Y210-N270 VanDerWaalsContact OH-OD1 3.07Å; Y210-C271 WeakPolarHBondContact CE2-O 3.31Å; Y210-H273 CarbonylContact C-O 3.43Å; Y210-H273 WeakPolarHBondContact CA-O 3.44Å; Y210-H273 VanDerWaalsContact CB-O 3.25Å; Y210-H273 WeakPolarHBondContact CB-O 3.27Å |
| 211 | H | 96.5 | Very high | 94.9 | Very high | 16 Ų | 16 | 42.9 Ų | 42.9 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 156.3 | 169.4 | 73.8 | -87.8 | 0 | 0 | 0 | 113.1 | E108 I231 K232 M233 G272 H273 H275 | E108-H211 IonicContact OE1-CD2 3.83Å; E108-H211 IonicContact OE1-NE2 3.03Å; E108-H211 PolarHBondContact OE1-NE2 3Å; H211-I231 HydrophobicContact CB-CB 4.33Å; H211-K232 WeakPolarHBondContact CA-O 3.26Å; H211-K232 WeakPolarHBondContact CB-O 3.5Å; H211-M233 HydrophobicContact CB-CE 4.43Å; H211-M233 HydrophobicContact CB-SD 3.68Å; H211-G272 CarbonylContact O-C 3.3Å; H211-G272 WeakPolarHBondContact O-CA 3.18Å; H211-H273 WeakPolarHBondContact CE1-CB 3.27Å; H211-H273 AromaticContact CE1-CD2 3.33Å; H211-H273 PolarHBondContact CE1-CD2 2.82Å; H211-H273 AromaticContact CE1-CG 3.26Å; H211-H273 PolarHBondContact N-O 3.02Å; H211-H273 WeakPolarHBondContact ND1-CB 3.12Å; H211-H273 AromaticContact ND1-CD2 3.64Å; H211-H273 AromaticContact ND1-CG 3.71Å; H211-H273 PolarHBondContact O-N 2.73Å; H211-H275 AromaticContact CE1-NE2 3.55Å; H211-H275 AromaticContact CG-NE2 3.91Å; H211-H275 AromaticContact ND1-CD2 3.55Å; H211-H275 AromaticContact ND1-CE1 3.88Å; H211-H275 AromaticContact ND1-NE2 2.85Å; H211-H275 PolarHBondContact ND1-NE2 2.97Å |
| 212 | V | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 162.9 | 165.2 | -63.7 | 0 | 0 | 0 | 0 | 109.3 | P136 Y210 K232 F234 C271 | P136-V212 HydrophobicContact CB-CG1 4.23Å; Y210-V212 HydrophobicContact CD2-CG1 4.38Å; Y210-V212 HydrophobicContact CE2-CG1 4Å; V212-K232 HydrophobicContact CG2-CB 4.14Å; V212-K232 PolarHBondContact N-O 3.44Å; V212-K232 PolarHBondContact O-N 3.04Å; V212-F234 HydrophobicContact CG2-CD2 3.92Å; V212-F234 HydrophobicContact CG2-CE2 3.58Å; V212-C271 VanDerWaalsContact CG1-O 3.28Å; V212-C271 WeakPolarHBondContact CG1-O 3.09Å |
| 213 | L | 94 | Very high | 94.1 | Very high | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -94.4 | 130.6 | 177.1 | -59.2 | -179.6 | 0 | 0 | 0 | 110.7 | N106 E108 Y129 W230 I231 | N106-L213 WeakPolarHBondContact ND2-CB 3.28Å; E108-L213 HydrophobicContact CG-CD1 4.42Å; E108-L213 HydrophobicContact CG-CG 3.94Å; E108-L213 VanDerWaalsContact OE1-CD2 3.24Å; E108-L213 WeakPolarHBondContact OE1-CD2 3.25Å; E108-L213 WeakPolarHBondContact OE1-CG 3.38Å; Y129-L213 PolarHBondContact N-O 3.15Å; L213-W230 HydrophobicContact CD1-CH2 4.35Å; L213-W230 HydrophobicContact CD2-CE3 4.47Å; L213-W230 HydrophobicContact CD2-CH2 3.69Å; L213-W230 HydrophobicContact CD2-CZ3 3.67Å; L213-W230 HydrophobicContact CG-CH2 4.41Å; L213-I231 HydrophobicContact CD2-CG2 4.13Å |
| 214 | P | 94.5 | Very high | 93.5 | Very high | 16 Ų | 16 | 47 Ų | 47 | 10% | 0.104 | 24% | 0.244 | C | C | . | . | trans | -77.8 | -179 | 160.3 | 36.8 | -35.5 | 0 | 0 | 0 | 110.5 | N106 Y129 W230 K232 | N106-P214 WeakPolarHBondContact CB-O 3.43Å; N106-P214 PolarHBondContact ND2-O 2.83Å; Y129-P214 HydrophobicContact CD1-CB 3.78Å; Y129-P214 HydrophobicContact CG-CB 4.35Å; P214-W230 HydrophobicContact CG-CD2 4.48Å; P214-W230 HydrophobicContact CG-CG 4.34Å; P214-W230 WeakPolarHBondContact CG-O 3.29Å; P214-K232 HydrophobicContact CB-CG 4.47Å; P214-K232 HydrophobicContact CG-CG 4.36Å | ||
| 215 | E | 95.2 | Very high | 93.2 | Very high | 102 Ų | 102 | 49.6 Ų | 49.6 | 48% | 0.477 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -47.8 | 149.1 | 168.7 | -72.1 | -55.6 | 145.9 | 0 | 0 | 112.3 | S105 S217 W230 | S105-E215 WeakPolarHBondContact CA-OE1 3.48Å; S105-E215 WeakPolarHBondContact CB-OE1 3.41Å; S105-E215 PolarHBondContact OG-OE1 2.97Å; E215-S217 PolarHBondContact O-N 2.88Å; E215-W230 PolarHBondContact O-NE1 3.25Å |
| 216 | F | 95.8 | Very high | 93.1 | Very high | 14 Ų | 14 | 47.3 Ų | 47.3 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -53.6 | 135.9 | -179.5 | -69.1 | -67.5 | 0 | 0 | 0 | 111.4 | L66 P70 K72 F100 N106 L148 Q218 | L66-F216 HydrophobicContact CD1-CD1 4.44Å; L66-F216 HydrophobicContact CD1-CE1 4.02Å; P70-F216 HydrophobicContact CB-CD1 3.84Å; P70-F216 HydrophobicContact CB-CE1 3.9Å; P70-F216 HydrophobicContact CB-CG 4.5Å; P70-F216 HydrophobicContact CG-CB 4.33Å; P70-F216 HydrophobicContact CG-CD1 3.36Å; P70-F216 HydrophobicContact CG-CE1 3.87Å; P70-F216 HydrophobicContact CG-CG 4.05Å; K72-F216 HydrophobicContact CD-CD2 4.3Å; K72-F216 HydrophobicContact CD-CE2 4.39Å; F100-F216 HydrophobicContact CB-CE2 4.08Å; F100-F216 HydrophobicContact CB-CZ 4.47Å; F100-F216 AromaticContact CD1-CE2 3.73Å; F100-F216 HydrophobicContact CD1-CE2 3.73Å; F100-F216 AromaticContact CD1-CZ 3.47Å; F100-F216 HydrophobicContact CD1-CZ 3.47Å; F100-F216 VanDerWaalsContact CD1-CZ 3.47Å; F100-F216 AromaticContact CD2-CE2 3.9Å; F100-F216 HydrophobicContact CD2-CE2 3.9Å; F100-F216 HydrophobicContact CD2-CZ 4.44Å; F100-F216 HydrophobicContact CE1-CE2 4.14Å; F100-F216 AromaticContact CE1-CZ 3.73Å; F100-F216 HydrophobicContact CE1-CZ 3.73Å; F100-F216 HydrophobicContact CE2-CE2 4.35Å; F100-F216 AromaticContact CG-CE2 3.61Å; F100-F216 HydrophobicContact CG-CE2 3.61Å; F100-F216 AromaticContact CG-CZ 3.87Å; F100-F216 HydrophobicContact CG-CZ 3.87Å; F100-F216 HydrophobicContact CZ-CE2 4.47Å; F100-F216 HydrophobicContact CZ-CZ 4.38Å; N106-F216 HydrophobicContact CB-CD1 4.44Å; N106-F216 HydrophobicContact CB-CD2 4.13Å; N106-F216 HydrophobicContact CB-CE1 4.23Å; N106-F216 HydrophobicContact CB-CE2 3.92Å; N106-F216 HydrophobicContact CB-CG 4.41Å; N106-F216 HydrophobicContact CB-CZ 3.98Å; N106-F216 WeakPolarHBondContact OD1-CE1 3.3Å; N106-F216 WeakPolarHBondContact OD1-CZ 3.39Å; L148-F216 HydrophobicContact CD1-CE1 3.8Å; L148-F216 HydrophobicContact CD1-CZ 3.99Å; F216-Q218 PolarHBondContact O-N 3.06Å |
| 217 | S | 93.9 | Very high | 93.1 | Very high | 40 Ų | 40 | 46.7 Ų | 46.7 | 28% | 0.28 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -58 | 138.2 | 177.5 | -176 | 0 | 0 | 0 | 0 | 111 | E215 E219 | E215-S217 PolarHBondContact O-N 2.88Å; S217-E219 VanDerWaalsContact C-N 3.26Å; S217-E219 VanDerWaalsContact CB-O 3.27Å; S217-E219 WeakPolarHBondContact CB-O 3.41Å; S217-E219 PolarHBondContact OG-N 3.15Å; S217-E219 PolarHBondContact OG-O 2.91Å |
| 218 | Q | 93 | Very high | 93 | Very high | 189 Ų | 189 | 48.2 Ų | 48.2 | 88% | 0.883 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -77.3 | -17.5 | 171.9 | -61.5 | -61 | -30.5 | 0 | 0 | 112 | F216 | F216-Q218 PolarHBondContact O-N 3.06Š|
| 219 | E | 93.8 | Very high | 93 | Very high | 130 Ų | 130 | 53.1 Ų | 53.1 | 61% | 0.607 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -113.5 | 149.1 | 176.9 | -63.4 | -175.6 | -178.1 | 0 | 0 | 111 | S217 L221 | S217-E219 VanDerWaalsContact C-N 3.26Å; S217-E219 VanDerWaalsContact CB-O 3.27Å; S217-E219 WeakPolarHBondContact CB-O 3.41Å; S217-E219 PolarHBondContact OG-N 3.15Å; S217-E219 PolarHBondContact OG-O 2.91Å; E219-L221 PolarHBondContact O-N 2.9Å |
| 220 | P | 95 | Very high | 93 | Very high | 56 Ų | 56 | 52.4 Ų | 52.4 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | trans | -57.7 | 129.4 | 175.2 | -24.3 | 33.9 | 0 | 0 | 0 | 112.9 | P68 V69 D222 K226 | P68-P220 HydrophobicContact CB-CB 4.17Å; P68-P220 WeakPolarHBondContact O-CA 3.46Å; V69-P220 HydrophobicContact CG2-CB 3.94Å; V69-P220 HydrophobicContact CG2-CG 3.91Å; P220-D222 VanDerWaalsContact C-N 3.3Å; P220-D222 PolarHBondContact O-N 2.9Å; P220-D222 VanDerWaalsContact O-N 3.11Å; P220-K226 VanDerWaalsContact O-CD 3.27Å; P220-K226 WeakPolarHBondContact O-CD 3.35Å; P220-K226 PolarHBondContact O-NZ 2.86Å | ||
| 221 | L | 91.8 | Very high | 93 | Very high | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | trans | -84.8 | 70.4 | 174.4 | -61.7 | 177.1 | 0 | 0 | 0 | 110.2 | L67 P68 E219 K226 L227 W230 | L67-L221 HydrophobicContact CD2-CB 3.64Å; L67-L221 HydrophobicContact CD2-CD1 3.74Å; L67-L221 HydrophobicContact CD2-CG 4.34Å; P68-L221 PolarHBondContact O-N 2.7Å; E219-L221 PolarHBondContact O-N 2.9Å; L221-K226 HydrophobicContact CD2-CB 4.12Å; L221-L227 HydrophobicContact CD1-CD1 4.27Å; L221-W230 HydrophobicContact CD1-CB 4.42Å; L221-W230 HydrophobicContact CD1-CD2 3.54Å; L221-W230 HydrophobicContact CD1-CE3 3.4Å; L221-W230 HydrophobicContact CD1-CG 4.02Å; L221-W230 HydrophobicContact CD1-CH2 4.3Å; L221-W230 HydrophobicContact CD1-CZ2 4.45Å; L221-W230 HydrophobicContact CD1-CZ3 3.79Å; L221-W230 HydrophobicContact CD2-CB 3.8Å; L221-W230 HydrophobicContact CD2-CD2 4.47Å; L221-W230 HydrophobicContact CD2-CG 4.07Å | ||
| 222 | D | 90.3 | Very high | 93 | Very high | 58 Ų | 58 | 55.2 Ų | 55.2 | 31% | 0.31 | 27% | 0.272 | S | S | . | . | trans | -99.2 | 9.3 | -171.9 | 60.2 | 10.6 | 0 | 0 | 0 | 114.4 | P68 P220 K226 L318 | P68-D222 HydrophobicContact CB-CB 4.18Å; P220-D222 VanDerWaalsContact C-N 3.3Å; P220-D222 PolarHBondContact O-N 2.9Å; P220-D222 VanDerWaalsContact O-N 3.11Å; D222-K226 VanDerWaalsContact CG-NZ 3.31Å; D222-K226 VanDerWaalsContact OD1-CD 3.28Å; D222-K226 WeakPolarHBondContact OD1-CD 3.38Å; D222-K226 VanDerWaalsContact OD1-CE 3.3Å; D222-K226 WeakPolarHBondContact OD1-CE 3.44Å; D222-K226 IonicContact OD1-NZ 3.73Å; D222-K226 PolarHBondContact OD1-NZ 2.97Å; D222-K226 IonicContact OD2-NZ 2.84Å; D222-K226 PolarHBondContact OD2-NZ 3.43Å; D222-K226 VanDerWaalsContact OD2-NZ 3.16Å; D222-L318 WeakPolarHBondContact O-CD1 3.36Å | ||
| 223 | S | 88.8 | Confident | 92.9 | Very high | 37 Ų | 37 | 58 Ų | 58 | 26% | 0.259 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -147.6 | 156.2 | 176.1 | 65 | 0 | 0 | 0 | 0 | 110.9 | E225 K226 L227 | S223-E225 PolarHBondContact O-N 3.24Å; S223-K226 PolarHBondContact O-N 2.77Å; S223-K226 WeakPolarHBondContact OG-CG 3.25Å; S223-K226 PolarHBondContact OG-N 3.09Å; S223-L227 PolarHBondContact O-N 3.3Å |
| 224 | G | 85.7 | Confident | 93 | Very high | 3 Ų | 3 | 59.6 Ų | 59.6 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.9 | -31.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L227 R228 | G224-L227 PolarHBondContact O-N 3.01Å; G224-R228 WeakPolarHBondContact O-CB 3.14Å; G224-R228 VanDerWaalsContact O-CG 3.25Å; G224-R228 WeakPolarHBondContact O-CG 3.42Å; G224-R228 PolarHBondContact O-N 3.47Å |
| 225 | E | 90.4 | Very high | 93 | Very high | 121 Ų | 121 | 63.1 Ų | 63.1 | 57% | 0.565 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.3 | -49.5 | 174.8 | -172.4 | -175.2 | 163.9 | 0 | 0 | 112.3 | S223 L227 R228 N229 | S223-E225 PolarHBondContact O-N 3.24Å; E225-L227 VanDerWaalsContact C-N 3.29Å; E225-L227 PolarHBondContact O-N 3.37Å; E225-R228 PolarHBondContact O-N 3.49Å; E225-N229 WeakPolarHBondContact O-CB 3.47Å; E225-N229 VanDerWaalsContact O-CG 3.26Å; E225-N229 PolarHBondContact O-N 2.62Å; E225-N229 PolarHBondContact O-ND2 3.04Å |
| 226 | K | 92.9 | Very high | 93 | Very high | 69 Ų | 69 | 58.5 Ų | 58.5 | 30% | 0.3 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59 | -42.8 | 176.1 | -73.2 | -176.2 | -174.6 | 170.8 | 0 | 111.6 | P220 L221 D222 S223 N229 W230 | P220-K226 VanDerWaalsContact O-CD 3.27Å; P220-K226 WeakPolarHBondContact O-CD 3.35Å; P220-K226 PolarHBondContact O-NZ 2.86Å; L221-K226 HydrophobicContact CD2-CB 4.12Å; D222-K226 VanDerWaalsContact CG-NZ 3.31Å; D222-K226 VanDerWaalsContact OD1-CD 3.28Å; D222-K226 WeakPolarHBondContact OD1-CD 3.38Å; D222-K226 VanDerWaalsContact OD1-CE 3.3Å; D222-K226 WeakPolarHBondContact OD1-CE 3.44Å; D222-K226 IonicContact OD1-NZ 3.73Å; D222-K226 PolarHBondContact OD1-NZ 2.97Å; D222-K226 IonicContact OD2-NZ 2.84Å; D222-K226 PolarHBondContact OD2-NZ 3.43Å; D222-K226 VanDerWaalsContact OD2-NZ 3.16Å; S223-K226 PolarHBondContact O-N 2.77Å; S223-K226 WeakPolarHBondContact OG-CG 3.25Å; S223-K226 PolarHBondContact OG-N 3.09Å; K226-N229 PolarHBondContact O-N 3.17Å; K226-W230 WeakPolarHBondContact O-CB 3.49Å; K226-W230 PolarHBondContact O-N 3.06Å |
| 227 | L | 91.1 | Very high | 92.9 | Very high | 13 Ų | 13 | 63.9 Ų | 63.9 | 7% | 0.068 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61 | -47.7 | 177.2 | -179.6 | 64.5 | 0 | 0 | 0 | 111.9 | L67 L221 S223 G224 E225 N229 W230 I231 L322 L325 | L67-L227 HydrophobicContact CD1-CD2 4.46Å; L67-L227 HydrophobicContact CD2-CD1 4.14Å; L221-L227 HydrophobicContact CD1-CD1 4.27Å; S223-L227 PolarHBondContact O-N 3.3Å; G224-L227 PolarHBondContact O-N 3.01Å; E225-L227 VanDerWaalsContact C-N 3.29Å; E225-L227 PolarHBondContact O-N 3.37Å; L227-N229 VanDerWaalsContact C-N 3.33Å; L227-N229 PolarHBondContact O-N 3.18Å; L227-W230 HydrophobicContact CD1-CE3 3.88Å; L227-W230 HydrophobicContact CD1-CZ3 4.17Å; L227-W230 PolarHBondContact O-N 3.13Å; L227-I231 HydrophobicContact CD1-CG2 4.36Å; L227-I231 PolarHBondContact O-N 2.81Å; L227-I231 VanDerWaalsContact O-N 3.08Å; L227-L322 HydrophobicContact CD2-CD2 3.53Å; L227-L322 HydrophobicContact CD2-CG 4.07Å; L227-L325 HydrophobicContact CD2-CD1 4.09Å |
| 228 | R | 90 | Very high | 92.9 | Very high | 96 Ų | 96 | 63.4 Ų | 63.4 | 36% | 0.362 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.5 | -39.1 | 177.3 | -74.4 | -172.5 | -53.5 | -118.3 | -6.6 | 112.8 | G224 E225 W230 I231 L325 F326 | G224-R228 WeakPolarHBondContact O-CB 3.14Å; G224-R228 VanDerWaalsContact O-CG 3.25Å; G224-R228 WeakPolarHBondContact O-CG 3.42Å; G224-R228 PolarHBondContact O-N 3.47Å; E225-R228 PolarHBondContact O-N 3.49Å; R228-W230 VanDerWaalsContact C-N 3.31Å; R228-I231 WeakPolarHBondContact O-CG1 3.25Å; R228-L325 HydrophobicContact CG-CD1 4.47Å; R228-L325 HydrophobicContact CG-CD2 4.2Å; R228-F326 HydrophobicContact CG-CE2 4.04Å; R228-F326 HydrophobicContact CG-CZ 3.66Å |
| 229 | N | 93.1 | Very high | 93.1 | Very high | 105 Ų | 105 | 56.2 Ų | 56.2 | 56% | 0.561 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -71.8 | -29.6 | 179.1 | -68.6 | -14.7 | 0 | 0 | 0 | 112.1 | E225 K226 L227 K232 | E225-N229 WeakPolarHBondContact O-CB 3.47Å; E225-N229 VanDerWaalsContact O-CG 3.26Å; E225-N229 PolarHBondContact O-N 2.62Å; E225-N229 PolarHBondContact O-ND2 3.04Å; K226-N229 PolarHBondContact O-N 3.17Å; L227-N229 VanDerWaalsContact C-N 3.33Å; L227-N229 PolarHBondContact O-N 3.18Å; N229-K232 PolarHBondContact O-NZ 3.08Å; N229-K232 VanDerWaalsContact O-NZ 3.14Å |
| 230 | W | 94.2 | Very high | 93.3 | Very high | 25 Ų | 25 | 50 Ų | 50 | 10% | 0.095 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.4 | -54.1 | 177.6 | 176.4 | 64.6 | 0 | 0 | 0 | 111.7 | L66 N106 L213 P214 E215 L221 K226 L227 R228 K232 | L66-W230 HydrophobicContact CD1-CH2 4.14Å; N106-W230 WeakPolarHBondContact ND2-CZ2 3.09Å; L213-W230 HydrophobicContact CD1-CH2 4.35Å; L213-W230 HydrophobicContact CD2-CE3 4.47Å; L213-W230 HydrophobicContact CD2-CH2 3.69Å; L213-W230 HydrophobicContact CD2-CZ3 3.67Å; L213-W230 HydrophobicContact CG-CH2 4.41Å; P214-W230 HydrophobicContact CG-CD2 4.48Å; P214-W230 HydrophobicContact CG-CG 4.34Å; P214-W230 WeakPolarHBondContact CG-O 3.29Å; E215-W230 PolarHBondContact O-NE1 3.25Å; L221-W230 HydrophobicContact CD1-CB 4.42Å; L221-W230 HydrophobicContact CD1-CD2 3.54Å; L221-W230 HydrophobicContact CD1-CE3 3.4Å; L221-W230 HydrophobicContact CD1-CG 4.02Å; L221-W230 HydrophobicContact CD1-CH2 4.3Å; L221-W230 HydrophobicContact CD1-CZ2 4.45Å; L221-W230 HydrophobicContact CD1-CZ3 3.79Å; L221-W230 HydrophobicContact CD2-CB 3.8Å; L221-W230 HydrophobicContact CD2-CD2 4.47Å; L221-W230 HydrophobicContact CD2-CG 4.07Å; K226-W230 WeakPolarHBondContact O-CB 3.49Å; K226-W230 PolarHBondContact O-N 3.06Å; L227-W230 HydrophobicContact CD1-CE3 3.88Å; L227-W230 HydrophobicContact CD1-CZ3 4.17Å; L227-W230 PolarHBondContact O-N 3.13Å; R228-W230 VanDerWaalsContact C-N 3.31Å; W230-K232 WeakPolarHBondContact O-CE 3.42Å |
| 231 | I | 95.2 | Very high | 93.4 | Very high | 12 Ų | 12 | 47.4 Ų | 47.4 | 6% | 0.062 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -61.9 | 153.9 | -179 | 64.3 | -178.6 | 0 | 0 | 0 | 112.6 | H211 L213 L227 R228 M233 F326 | H211-I231 HydrophobicContact CB-CB 4.33Å; L213-I231 HydrophobicContact CD2-CG2 4.13Å; L227-I231 HydrophobicContact CD1-CG2 4.36Å; L227-I231 PolarHBondContact O-N 2.81Å; L227-I231 VanDerWaalsContact O-N 3.08Å; R228-I231 WeakPolarHBondContact O-CG1 3.25Å; I231-M233 HydrophobicContact CD1-CE 3.5Å; I231-M233 HydrophobicContact CG1-CE 4.28Å; I231-F326 HydrophobicContact CD1-CE2 3.96Å; I231-F326 HydrophobicContact CD1-CZ 4.21Å |
| 232 | K | 96.6 | Very high | 93.8 | Very high | 63 Ų | 63 | 47.4 Ų | 47.4 | 27% | 0.274 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 112.6 | -179.9 | -58.2 | -60.3 | 169.5 | -149.5 | 0 | 110.9 | Y129 H211 V212 P214 N229 W230 F234 | Y129-K232 HydrophobicContact CD1-CG 4.03Å; Y129-K232 HydrophobicContact CD2-CB 4Å; Y129-K232 HydrophobicContact CD2-CG 3.81Å; Y129-K232 HydrophobicContact CE1-CG 4.23Å; Y129-K232 HydrophobicContact CE2-CB 4.38Å; Y129-K232 HydrophobicContact CE2-CD 4.44Å; Y129-K232 HydrophobicContact CE2-CG 4.03Å; Y129-K232 HydrophobicContact CG-CB 4.32Å; Y129-K232 HydrophobicContact CG-CG 3.8Å; H211-K232 WeakPolarHBondContact CA-O 3.26Å; H211-K232 WeakPolarHBondContact CB-O 3.5Å; V212-K232 HydrophobicContact CG2-CB 4.14Å; V212-K232 PolarHBondContact N-O 3.44Å; V212-K232 PolarHBondContact O-N 3.04Å; P214-K232 HydrophobicContact CB-CG 4.47Å; P214-K232 HydrophobicContact CG-CG 4.36Å; N229-K232 PolarHBondContact O-NZ 3.08Å; N229-K232 VanDerWaalsContact O-NZ 3.14Å; W230-K232 WeakPolarHBondContact O-CE 3.42Å; K232-F234 HydrophobicContact CB-CE2 3.71Å; K232-F234 HydrophobicContact CB-CZ 4.28Å; K232-F234 WeakPolarHBondContact O-CD2 3.42Å |
| 233 | M | 95.3 | Very high | 94.2 | Very high | 59 Ų | 59 | 44.6 Ų | 44.6 | 29% | 0.291 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 138.4 | -178.5 | -66.2 | -67.1 | -173.6 | 0 | 0 | 111.4 | L209 Y210 H211 I231 H275 F326 | L209-M233 HydrophobicContact CD1-CB 4.32Å; L209-M233 HydrophobicContact CD2-SD 4.2Å; L209-M233 HydrophobicContact CG-SD 4.27Å; Y210-M233 CarbonylContact O-C 3.47Å; Y210-M233 WeakPolarHBondContact O-CA 3.29Å; H211-M233 HydrophobicContact CB-CE 4.43Å; H211-M233 HydrophobicContact CB-SD 3.68Å; I231-M233 HydrophobicContact CD1-CE 3.5Å; I231-M233 HydrophobicContact CG1-CE 4.28Å; M233-H275 WeakPolarHBondContact CE-NE2 3.41Å; M233-F326 HydrophobicContact CE-CD1 4.37Å; M233-F326 HydrophobicContact CE-CD2 4.33Å; M233-F326 HydrophobicContact CE-CE1 3.65Å; M233-F326 HydrophobicContact CE-CE2 3.59Å; M233-F326 HydrophobicContact CE-CZ 3.19Å |
| 234 | F | 96.1 | Very high | 94.6 | Very high | 38 Ų | 38 | 42.9 Ų | 42.9 | 17% | 0.167 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 166.8 | 175.7 | -64.4 | -78 | 0 | 0 | 0 | 110.1 | Y129 P136 L209 Y210 V212 K232 | Y129-F234 HydrophobicContact CD2-CE2 4.09Å; Y129-F234 AromaticContact CD2-CZ 3.88Å; Y129-F234 HydrophobicContact CD2-CZ 3.88Å; Y129-F234 AromaticContact CE2-CZ 3.93Å; Y129-F234 HydrophobicContact CE2-CZ 3.93Å; P136-F234 HydrophobicContact CB-CD2 4.09Å; P136-F234 HydrophobicContact CB-CE2 4.26Å; P136-F234 HydrophobicContact CB-CG 4.43Å; P136-F234 HydrophobicContact CG-CD1 4.35Å; P136-F234 HydrophobicContact CG-CD2 4.32Å; P136-F234 HydrophobicContact CG-CG 4.18Å; L209-F234 WeakPolarHBondContact CA-O 3.34Å; L209-F234 WeakPolarHBondContact CD1-O 3.38Å; Y210-F234 HydrophobicContact CD1-CB 4.27Å; Y210-F234 WeakPolarHBondContact CD1-O 3.33Å; Y210-F234 HydrophobicContact CE1-CB 3.57Å; Y210-F234 HydrophobicContact CE2-CB 4.24Å; Y210-F234 PolarHBondContact N-O 2.86Å; Y210-F234 PolarHBondContact O-N 3.4Å; Y210-F234 VanDerWaalsContact O-O 3.14Å; V212-F234 HydrophobicContact CG2-CD2 3.92Å; V212-F234 HydrophobicContact CG2-CE2 3.58Å; K232-F234 HydrophobicContact CB-CE2 3.71Å; K232-F234 HydrophobicContact CB-CZ 4.28Å; K232-F234 WeakPolarHBondContact O-CD2 3.42Å |
| 235 | E | 95.3 | Very high | 95.2 | Very high | 90 Ų | 90 | 42.7 Ų | 42.7 | 42% | 0.421 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 143.4 | 172.4 | -67.2 | -168 | 144.1 | 0 | 0 | 110.7 | S208 L209 T278 | S208-E235 CarbonylContact O-C 3.59Å; S208-E235 VanDerWaalsContact O-CA 3.3Å; S208-E235 WeakPolarHBondContact O-CA 3.23Å; L209-E235 HydrophobicContact CD1-CG 4.09Å; E235-T278 VanDerWaalsContact OE1-CB 3.27Å; E235-T278 WeakPolarHBondContact OE1-CB 3.49Å; E235-T278 WeakPolarHBondContact OE1-CG2 3.3Å; E235-T278 PolarHBondContact OE1-OG1 2.89Å |
| 236 | M | 94.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.025 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 147.3 | 168 | 61.7 | 174.4 | 84.5 | 0 | 0 | 110.5 | K207 S208 Y210 V240 N265 N270 | K207-M236 CarbonylContact C-O 3.6Å; K207-M236 WeakPolarHBondContact CA-O 3.42Å; S208-M236 PolarHBondContact N-O 2.93Å; S208-M236 PolarHBondContact O-N 3.1Å; Y210-M236 HydrophobicContact CD1-CB 4.31Å; Y210-M236 HydrophobicContact CD1-CE 3.3Å; Y210-M236 HydrophobicContact CD1-CG 3.91Å; Y210-M236 HydrophobicContact CD1-SD 4.44Å; Y210-M236 HydrophobicContact CD2-CE 3.61Å; Y210-M236 HydrophobicContact CE1-CB 3.83Å; Y210-M236 HydrophobicContact CE1-CE 3.38Å; Y210-M236 HydrophobicContact CE1-CG 3.94Å; Y210-M236 HydrophobicContact CE2-CE 3.68Å; Y210-M236 HydrophobicContact CG-CE 3.41Å; Y210-M236 VanDerWaalsContact CG-CE 3.41Å; M236-V240 HydrophobicContact CG-CG1 4.26Å; M236-V240 HydrophobicContact CG-CG2 3.6Å; M236-V240 HydrophobicContact SD-CB 4.28Å; M236-V240 HydrophobicContact SD-CG1 3.58Å; M236-V240 VanDerWaalsContact SD-CG1 3.58Å; M236-V240 HydrophobicContact SD-CG2 3.81Å; M236-N265 HydrophobicContact SD-CB 4.01Å; M236-N270 HydrophobicContact CB-CB 4.37Å; M236-N270 HydrophobicContact CE-CB 3.96Å |
| 237 | E | 94.1 | Very high | 95.8 | Very high | 127 Ų | 127 | 33.7 Ų | 33.7 | 59% | 0.593 | 16% | 0.163 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 150.5 | 178.4 | -57 | -162.3 | 153.8 | 0 | 0 | 111.2 | K207 V240 | K207-E237 HydrophobicContact CD-CG 4.49Å; K207-E237 WeakPolarHBondContact CE-OE1 3.42Å; K207-E237 HydrophobicContact CG-CG 4.32Å; K207-E237 IonicContact NZ-OE1 3.18Å; K207-E237 PolarHBondContact NZ-OE1 3.11Å; E237-V240 WeakPolarHBondContact O-CG2 3.47Å |
| 238 | S | 95 | Very high | 96.2 | Very high | 29 Ų | 29 | 33.1 Ų | 33.1 | 20% | 0.203 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -65.5 | 149 | 174.6 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | Q203 E204 Q205 G206 | Q203-S238 WeakPolarHBondContact O-CB 3.39Å; Q203-S238 PolarHBondContact O-OG 3.14Å; E204-S238 WeakPolarHBondContact O-CB 3.3Å; Q205-S238 VanDerWaalsContact C-OG 3.22Å; Q205-S238 PolarHBondContact O-OG 3.11Å; G206-S238 PolarHBondContact N-OG 3.3Å; G206-S238 WeakPolarHBondContact O-CB 3.21Å; G206-S238 PolarHBondContact O-N 3.24Å; G206-S238 PolarHBondContact O-OG 3.16Å |
| 239 | P | 96.7 | Very high | 96.5 | Very high | 39 Ų | 39 | 29.7 Ų | 29.7 | 25% | 0.253 | 15% | 0.148 | S | C | . | . | P | Polyproline II helix | cis | -75.3 | 130.2 | 4.5 | -21 | 36.4 | 0 | 0 | 0 | 114.4 | P43 V202 Q203 Q266 | P43-P239 HydrophobicContact CB-CB 4.31Å; V202-P239 HydrophobicContact CG1-CB 4.27Å; Q203-P239 VanDerWaalsContact O-CA 3.3Å; Q203-P239 WeakPolarHBondContact O-CA 3.3Å; P239-Q266 HydrophobicContact CB-CB 4.43Å; P239-Q266 VanDerWaalsContact CG-OE1 3.31Å; P239-Q266 PolarHBondContact O-N 2.92Å; P239-Q266 VanDerWaalsContact O-N 3.15Å |
| 240 | V | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 121.9 | 174 | -178.2 | 0 | 0 | 0 | 0 | 109 | V202 Q203 M236 E237 C263 | V202-V240 CarbonylContact C-O 3.6Å; V202-V240 WeakPolarHBondContact CA-O 3.32Å; Q203-V240 HydrophobicContact CB-CB 4.09Å; Q203-V240 PolarHBondContact N-O 3.13Å; Q203-V240 PolarHBondContact O-N 3.18Å; Q203-V240 VanDerWaalsContact O-N 3.08Å; M236-V240 HydrophobicContact CG-CG1 4.26Å; M236-V240 HydrophobicContact CG-CG2 3.6Å; M236-V240 HydrophobicContact SD-CB 4.28Å; M236-V240 HydrophobicContact SD-CG1 3.58Å; M236-V240 VanDerWaalsContact SD-CG1 3.58Å; M236-V240 HydrophobicContact SD-CG2 3.81Å; E237-V240 WeakPolarHBondContact O-CG2 3.47Å; V240-C263 HydrophobicContact CG1-CB 3.76Å |
| 241 | I | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 126.5 | -178.8 | -56.6 | 80.5 | 0 | 0 | 0 | 107.5 | P43 V200 I201 C263 F264 Q266 | P43-I241 HydrophobicContact CB-CD1 4.46Å; P43-I241 WeakPolarHBondContact O-CD1 3.46Å; P43-I241 VanDerWaalsContact O-CG1 3.29Å; P43-I241 WeakPolarHBondContact O-CG1 3.28Å; V200-I241 HydrophobicContact CG2-CG2 3.57Å; I201-I241 CarbonylContact O-C 3.46Å; I201-I241 WeakPolarHBondContact O-CA 3.42Å; I241-C263 CarbonylContact O-C 3.6Å; I241-C263 WeakPolarHBondContact O-CA 3.4Å; I241-C263 WeakPolarHBondContact O-CB 3.41Å; I241-F264 HydrophobicContact CB-CD1 4.34Å; I241-F264 HydrophobicContact CB-CD2 4.31Å; I241-F264 HydrophobicContact CB-CE1 3.89Å; I241-F264 HydrophobicContact CB-CE2 3.83Å; I241-F264 HydrophobicContact CB-CZ 3.62Å; I241-F264 HydrophobicContact CD1-CD2 4.43Å; I241-F264 HydrophobicContact CD1-CE2 4.17Å; I241-F264 HydrophobicContact CG1-CE2 4.18Å; I241-F264 HydrophobicContact CG1-CZ 4.32Å; I241-F264 HydrophobicContact CG2-CE1 3.76Å; I241-F264 HydrophobicContact CG2-CE2 4.22Å; I241-F264 HydrophobicContact CG2-CZ 3.53Å; I241-F264 PolarHBondContact N-O 3.18Å; I241-F264 PolarHBondContact O-N 3.46Å; I241-Q266 HydrophobicContact CD1-CB 4.22Å |
| 242 | S | 98.4 | Very high | 96.2 | Very high | 6 Ų | 6 | 30.1 Ų | 30.1 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 137.3 | 176.4 | -48.8 | 0 | 0 | 0 | 0 | 110.1 | V200 I201 H262 C263 | V200-S242 CarbonylContact C-O 3.56Å; V200-S242 VanDerWaalsContact CA-O 3.32Å; V200-S242 WeakPolarHBondContact CA-O 3.35Å; I201-S242 PolarHBondContact N-O 3.39Å; I201-S242 PolarHBondContact O-N 2.92Å; S242-H262 CarbonylContact C-O 3.44Å; S242-H262 VanDerWaalsContact CA-O 3.26Å; S242-H262 WeakPolarHBondContact CA-O 3.42Å; S242-C263 VanDerWaalsContact OG-CB 3.29Å; S242-C263 WeakPolarHBondContact OG-CB 3.36Å |
| 243 | V | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 143.4 | 175.4 | -69 | 0 | 0 | 0 | 0 | 110.1 | L46 I93 V110 G199 V200 F261 H262 | L46-V243 HydrophobicContact CD1-CG1 4.44Å; L46-V243 HydrophobicContact CD2-CG1 3.85Å; I93-V243 HydrophobicContact CB-CB 3.99Å; I93-V243 HydrophobicContact CB-CG1 4.21Å; I93-V243 HydrophobicContact CB-CG2 4.38Å; I93-V243 HydrophobicContact CD1-CB 4.36Å; I93-V243 HydrophobicContact CD1-CG1 4.21Å; I93-V243 HydrophobicContact CG1-CB 4.42Å; V110-V243 HydrophobicContact CG1-CG2 3.74Å; G199-V243 WeakPolarHBondContact O-CA 3.49Å; V200-V243 HydrophobicContact CB-CG1 4.21Å; V200-V243 HydrophobicContact CG2-CG1 4.05Å; V243-F261 VanDerWaalsContact C-CD1 3.41Å; V243-F261 WeakPolarHBondContact O-CA 3.36Å; V243-H262 PolarHBondContact N-O 3.42Å; V243-H262 PolarHBondContact O-N 2.95Å; V243-H262 VanDerWaalsContact O-N 3.11Å |
| 244 | G | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.5 | -162.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G198 G199 H260 F261 | G198-G244 WeakPolarHBondContact CA-O 3.25Å; G199-G244 PolarHBondContact N-O 2.79Å; G199-G244 VanDerWaalsContact N-O 3.14Å; G199-G244 PolarHBondContact O-N 3.08Å; G244-H260 WeakPolarHBondContact CA-O 3.31Å; G244-F261 VanDerWaalsContact C-CE1 3.45Å; G244-F261 VanDerWaalsContact CA-CD1 3.42Å; G244-F261 VanDerWaalsContact N-CD1 3.31Å |
| 245 | I | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 155.3 | -176.4 | 61.5 | 95.4 | 0 | 0 | 0 | 111.4 | I57 Q151 F153 L197 V247 E259 H260 F261 | I57-I245 HydrophobicContact CD1-CB 4.3Å; I57-I245 HydrophobicContact CD1-CG2 4.38Å; I57-I245 HydrophobicContact CG1-CG2 4.08Å; I57-I245 HydrophobicContact CG2-CG2 4.44Å; Q151-I245 VanDerWaalsContact CD-CD1 3.42Å; Q151-I245 HydrophobicContact CG-CD1 4Å; Q151-I245 HydrophobicContact CG-CG1 3.88Å; F153-I245 HydrophobicContact CB-CG2 3.76Å; L197-I245 CarbonylContact O-C 3.42Å; L197-I245 WeakPolarHBondContact O-CA 3.48Å; L197-I245 WeakPolarHBondContact O-CB 3.49Å; I245-V247 HydrophobicContact CD1-CG2 3.72Å; I245-E259 WeakPolarHBondContact O-CA 3.16Å; I245-H260 PolarHBondContact N-O 2.95Å; I245-H260 PolarHBondContact O-N 2.61Å; I245-H260 VanDerWaalsContact O-N 3.11Å; I245-F261 WeakPolarHBondContact O-CE2 3.45Å |
| 246 | A | 98.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 137.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | I180 R181 L184 G196 L197 L258 F261 | I180-A246 HydrophobicContact CG2-CB 4.29Å; R181-A246 HydrophobicContact CB-CB 4.34Å; L184-A246 HydrophobicContact CD1-CB 4.1Å; G196-A246 CarbonylContact C-O 3.56Å; G196-A246 WeakPolarHBondContact CA-O 3.23Å; L197-A246 PolarHBondContact N-O 2.82Å; L197-A246 PolarHBondContact O-N 2.97Å; A246-L258 CarbonylContact C-O 3.58Å; A246-L258 VanDerWaalsContact CA-O 3.28Å; A246-L258 WeakPolarHBondContact CA-O 3.29Å; A246-F261 HydrophobicContact CB-CE2 4.44Å |
| 247 | V | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 136.8 | -175.7 | -167.8 | 0 | 0 | 0 | 0 | 109.9 | I57 A194 V195 I245 H249 L258 | I57-V247 HydrophobicContact CD1-CG2 3.74Å; A194-V247 HydrophobicContact CB-CG1 3.64Å; V195-V247 WeakPolarHBondContact O-CA 3.41Å; I245-V247 HydrophobicContact CD1-CG2 3.72Å; V247-H249 VanDerWaalsContact C-N 3.3Å; V247-H249 VanDerWaalsContact CG1-O 3.29Å; V247-H249 WeakPolarHBondContact CG1-O 3.34Å; V247-H249 PolarHBondContact O-N 3.17Å; V247-L258 HydrophobicContact CB-CD2 4.5Å; V247-L258 PolarHBondContact N-O 2.74Å |
| 248 | S | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -62 | -31.8 | -174.7 | 58.8 | 0 | 0 | 0 | 0 | 115 | H185 A194 V195 | H185-S248 WeakPolarHBondContact CA-O 3.41Å; H185-S248 WeakPolarHBondContact CB-O 3.2Å; H185-S248 PolarHBondContact ND1-O 3.46Å; A194-S248 WeakPolarHBondContact CA-OG 3.33Å; A194-S248 WeakPolarHBondContact CB-OG 3.24Å; V195-S248 PolarHBondContact N-OG 2.85Å; V195-S248 PolarHBondContact O-N 2.82Å |
| 249 | H | 96.4 | Very high | 95.3 | Very high | 24 Ų | 24 | 22.1 Ų | 22.1 | 11% | 0.111 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -167.4 | 171 | 179.3 | 60.1 | -96.5 | 0 | 0 | 0 | 109 | Y188 L191 A194 V247 P251 L258 | Y188-H249 PolarHBondContact O-ND1 2.91Å; L191-H249 PolarHBondContact O-CE1 3.28Å; L191-H249 PolarHBondContact O-NE2 3.34Å; A194-H249 WeakPolarHBondContact CA-CE1 3.45Å; A194-H249 PolarHBondContact N-NE2 3.01Å; V247-H249 VanDerWaalsContact C-N 3.3Å; V247-H249 VanDerWaalsContact CG1-O 3.29Å; V247-H249 WeakPolarHBondContact CG1-O 3.34Å; V247-H249 PolarHBondContact O-N 3.17Å; H249-P251 WeakPolarHBondContact O-CD 3.27Å; H249-L258 VanDerWaalsContact C-CD2 3.44Å |
| 250 | D | 95.7 | Very high | 95.3 | Very high | 40 Ų | 40 | 20.3 Ų | 20.3 | 21% | 0.214 | 11% | 0.105 | C | C | . | . | trans | -87.1 | 95.9 | 175.8 | -176.5 | 4.4 | 0 | 0 | 0 | 109.3 | L254 G255 L256 L258 | D250-L254 PolarHBondContact OD1-N 2.8Å; D250-L254 PolarHBondContact OD2-N 3.29Å; D250-G255 PolarHBondContact OD1-N 2.84Å; D250-G255 WeakPolarHBondContact OD2-CA 3.44Å; D250-G255 PolarHBondContact OD2-N 3.23Å; D250-L256 PolarHBondContact OD2-N 2.98Å; D250-L258 HydrophobicContact CB-CD2 4.13Å | ||
| 251 | P | 91.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.019 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -68.1 | 139.6 | -178.9 | 33.4 | -34.7 | 0 | 0 | 0 | 108.3 | A194 H249 H253 L254 L256 | A194-P251 HydrophobicContact CB-CB 4.15Å; A194-P251 HydrophobicContact CB-CG 3.95Å; H249-P251 WeakPolarHBondContact O-CD 3.27Å; P251-H253 PolarHBondContact O-N 2.99Å; P251-L254 HydrophobicContact CG-CD1 4.36Å; P251-L254 WeakPolarHBondContact O-CD1 3.4Å; P251-L254 WeakPolarHBondContact O-CG 3.27Å; P251-L256 HydrophobicContact CG-CD1 4.46Å |
| 252 | H | 89.1 | Confident | 95.3 | Very high | 109 Ų | 109 | 20.5 Ų | 20.5 | 51% | 0.505 | 11% | 0.106 | S | C | . | . | G | 310 helix | trans | 60.6 | 14.1 | 176.8 | -45 | -72.7 | 0 | 0 | 0 | 116.5 | Y4 L254 | Y4-H252 AromaticContact CD1-CD2 3.47Å; Y4-H252 VanDerWaalsContact CD1-CD2 3.47Å; Y4-H252 WeakPolarHBondContact CD1-CD2 3.44Å; Y4-H252 AromaticContact CD1-NE2 3.83Å; Y4-H252 AromaticContact CE1-CD2 3.93Å; H252-L254 HydrophobicContact CB-CD2 4.28Å; H252-L254 HydrophobicContact CB-CG 4.19Å |
| 253 | H | 89.7 | Confident | 95.3 | Very high | 159 Ų | 159 | 20.2 Ų | 20.2 | 74% | 0.736 | 10% | 0.104 | S | C | * | . | G | 310 helix | trans | 56.9 | 48.1 | -179.6 | -48.9 | -65.4 | 0 | 0 | 0 | 113 | P251 G255 | P251-H253 PolarHBondContact O-N 2.99Å; H253-G255 PolarHBondContact O-N 3.17Å |
| 254 | L | 91.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 2% | 0.016 | 10% | 0.104 | C | C | . | . | trans | -77.2 | -7.9 | -176.8 | -63 | 171.7 | 0 | 0 | 0 | 113.2 | Y4 D250 P251 H252 L256 L295 R297 | Y4-L254 HydrophobicContact CD2-CD1 3.74Å; Y4-L254 HydrophobicContact CD2-CD2 4.48Å; Y4-L254 HydrophobicContact CE1-CD2 4.27Å; Y4-L254 HydrophobicContact CE2-CD1 3.71Å; Y4-L254 HydrophobicContact CE2-CD2 3.62Å; Y4-L254 HydrophobicContact CE2-CG 4.33Å; Y4-L254 HydrophobicContact CG-CD1 4.23Å; Y4-L254 WeakPolarHBondContact OH-CD2 3.31Å; D250-L254 PolarHBondContact OD1-N 2.8Å; D250-L254 PolarHBondContact OD2-N 3.29Å; P251-L254 HydrophobicContact CG-CD1 4.36Å; P251-L254 WeakPolarHBondContact O-CD1 3.4Å; P251-L254 WeakPolarHBondContact O-CG 3.27Å; H252-L254 HydrophobicContact CB-CD2 4.28Å; H252-L254 HydrophobicContact CB-CG 4.19Å; L254-L256 HydrophobicContact CB-CD2 4.1Å; L254-L256 HydrophobicContact CB-CG 4.04Å; L254-L295 HydrophobicContact CD1-CD2 3.75Å; L254-R297 PolarHBondContact O-NE 3.2Å | ||
| 255 | G | 91 | Very high | 95.2 | Very high | 30 Ų | 30 | 21 Ų | 21 | 31% | 0.309 | 11% | 0.108 | S | C | . | . | trans | 82.5 | 21.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D250 H253 K319 | D250-G255 PolarHBondContact OD1-N 2.84Å; D250-G255 WeakPolarHBondContact OD2-CA 3.44Å; D250-G255 PolarHBondContact OD2-N 3.23Å; H253-G255 PolarHBondContact O-N 3.17Å; G255-K319 PolarHBondContact O-NZ 3.29Å | ||
| 256 | L | 92 | Very high | 95.1 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | trans | -62.2 | 145 | -177.4 | -54.8 | 178.2 | 0 | 0 | 0 | 112.6 | D59 D250 P251 L254 L258 L295 K319 | D59-L256 HydrophobicContact CB-CD2 3.83Å; D250-L256 PolarHBondContact OD2-N 2.98Å; P251-L256 HydrophobicContact CG-CD1 4.46Å; L254-L256 HydrophobicContact CB-CD2 4.1Å; L254-L256 HydrophobicContact CB-CG 4.04Å; L256-L258 HydrophobicContact CB-CD2 4.48Å; L256-L295 HydrophobicContact CD1-CD1 3.4Å; L256-L295 HydrophobicContact CD2-CD1 4.12Å; L256-L295 HydrophobicContact CG-CD1 4.4Å; L256-K319 VanDerWaalsContact O-CE 3.26Å; L256-K319 WeakPolarHBondContact O-CE 3.18Å; L256-K319 PolarHBondContact O-NZ 3.37Å | ||
| 257 | R | 92.8 | Very high | 94.9 | Very high | 17 Ų | 17 | 30.8 Ų | 30.8 | 6% | 0.064 | 16% | 0.158 | C | C | . | . | trans | -78.6 | 130.8 | 154.7 | -172.1 | 173.1 | 179.2 | 166.1 | -2.7 | 107.4 | F63 Q151 E259 H260 H273 | F63-R257 HydrophobicContact CE2-CB 4.19Å; F63-R257 HydrophobicContact CE2-CG 4.48Å; Q151-R257 PolarHBondContact NE2-O 2.84Å; Q151-R257 PolarHBondContact OE1-O 3.01Å; R257-E259 WeakPolarHBondContact CG-O 3.18Å; R257-E259 PolarHBondContact NE-O 2.84Å; R257-H260 HydrophobicContact CG-CB 4.44Å; R257-H273 PolarHBondContact NH1-CE1 3.44Å; R257-H273 PolarHBondContact NH2-CE1 3.18Å; R257-H273 PolarHBondContact NH2-NE2 3.23Å | ||
| 258 | L | 95.8 | Very high | 94.7 | Very high | 26 Ų | 26 | 33.5 Ų | 33.5 | 14% | 0.136 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -81.6 | -22.1 | -167.9 | -63.1 | -177.7 | 0 | 0 | 0 | 112.6 | R181 A246 V247 H249 D250 L256 | R181-L258 HydrophobicContact CG-CB 4.03Å; A246-L258 CarbonylContact C-O 3.58Å; A246-L258 VanDerWaalsContact CA-O 3.28Å; A246-L258 WeakPolarHBondContact CA-O 3.29Å; V247-L258 HydrophobicContact CB-CD2 4.5Å; V247-L258 PolarHBondContact N-O 2.74Å; H249-L258 VanDerWaalsContact C-CD2 3.44Å; D250-L258 HydrophobicContact CB-CD2 4.13Å; L256-L258 HydrophobicContact CB-CD2 4.48Å |
| 259 | E | 95.2 | Very high | 94.6 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 3% | 0.028 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 129.2 | 173.4 | 73.4 | -70.5 | -174.4 | 0 | 0 | 109.2 | R181 I245 R257 | R181-E259 HydrophobicContact CB-CB 4.17Å; R181-E259 WeakPolarHBondContact CD-OE2 3.47Å; R181-E259 HydrophobicContact CG-CB 4.45Å; I245-E259 WeakPolarHBondContact O-CA 3.16Å; R257-E259 WeakPolarHBondContact CG-O 3.18Å; R257-E259 PolarHBondContact NE-O 2.84Å |
| 260 | H | 96.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 102.8 | -178.7 | -164 | -179.9 | 0 | 0 | 0 | 110 | F63 A95 Q151 G244 I245 R257 H262 H273 | F63-H260 AromaticContact CZ-CE1 3.86Å; A95-H260 WeakPolarHBondContact CB-CD2 3.38Å; A95-H260 VanDerWaalsContact CB-NE2 3.29Å; A95-H260 WeakPolarHBondContact CB-NE2 3.44Å; Q151-H260 HydrophobicContact CB-CB 4.36Å; G244-H260 WeakPolarHBondContact CA-O 3.31Å; I245-H260 PolarHBondContact N-O 2.95Å; I245-H260 PolarHBondContact O-N 2.61Å; I245-H260 VanDerWaalsContact O-N 3.11Å; R257-H260 HydrophobicContact CG-CB 4.44Å; H260-H262 AromaticContact CD2-CD2 3.85Å; H260-H262 AromaticContact CD2-NE2 3.74Å; H260-H262 AromaticContact NE2-CD2 3.58Å; H260-H262 AromaticContact NE2-CE1 3.86Å; H260-H262 AromaticContact NE2-NE2 2.99Å; H260-H262 PolarHBondContact NE2-NE2 3.37Å; H260-H273 AromaticContact CD2-CE1 3.47Å; H260-H273 PolarHBondContact CD2-CE1 2.78Å; H260-H273 VanDerWaalsContact CD2-CE1 3.47Å; H260-H273 AromaticContact CD2-ND1 3.75Å; H260-H273 AromaticContact NE2-CE1 3.64Å; H260-H273 AromaticContact NE2-ND1 3.56Å |
| 261 | F | 97.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 36 Ų | 36 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 130 | 178.9 | -72.4 | -97.8 | 0 | 0 | 0 | 110.6 | D177 I201 V243 G244 I245 A246 C274 F289 | D177-F261 HydrophobicContact CB-CD2 3.59Å; D177-F261 HydrophobicContact CB-CE2 3.85Å; D177-F261 HydrophobicContact CB-CG 4.35Å; I201-F261 HydrophobicContact CD1-CD1 4.05Å; I201-F261 HydrophobicContact CD1-CE1 3.8Å; I201-F261 HydrophobicContact CD1-CZ 4.15Å; I201-F261 HydrophobicContact CG1-CE1 4.38Å; V243-F261 VanDerWaalsContact C-CD1 3.41Å; V243-F261 WeakPolarHBondContact O-CA 3.36Å; G244-F261 VanDerWaalsContact C-CE1 3.45Å; G244-F261 VanDerWaalsContact CA-CD1 3.42Å; G244-F261 VanDerWaalsContact N-CD1 3.31Å; I245-F261 WeakPolarHBondContact O-CE2 3.45Å; A246-F261 HydrophobicContact CB-CE2 4.44Å; F261-C274 HydrophobicContact CB-CB 4.44Å; F261-C274 WeakPolarHBondContact O-CB 3.45Å; F261-C274 PolarHBondContact O-N 3.24Å; F261-F289 HydrophobicContact CE1-CE1 4.41Å; F261-F289 HydrophobicContact CZ-CE1 4.24Å |
| 262 | H | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 149.8 | 165.9 | -74.9 | -172.3 | 0 | 0 | 0 | 109.2 | A95 G96 E108 M109 V110 S242 V243 H260 G272 H273 | A95-H262 HydrophobicContact CB-CB 3.99Å; A95-H262 WeakPolarHBondContact CB-CD2 3.28Å; G96-H262 PolarHBondContact O-CE1 3.38Å; G96-H262 VanDerWaalsContact O-CE1 3.26Å; E108-H262 IonicContact OE2-CE1 3.02Å; E108-H262 PolarHBondContact OE2-CE1 2.98Å; E108-H262 IonicContact OE2-ND1 3.26Å; E108-H262 IonicContact OE2-NE2 3.91Å; E108-H262 PolarHBondContact OE2-NE2 3.25Å; M109-H262 PolarHBondContact O-ND1 3.44Å; V110-H262 HydrophobicContact CG2-CB 3.89Å; S242-H262 CarbonylContact C-O 3.44Å; S242-H262 VanDerWaalsContact CA-O 3.26Å; S242-H262 WeakPolarHBondContact CA-O 3.42Å; V243-H262 PolarHBondContact N-O 3.42Å; V243-H262 PolarHBondContact O-N 2.95Å; V243-H262 VanDerWaalsContact O-N 3.11Å; H260-H262 AromaticContact CD2-CD2 3.85Å; H260-H262 AromaticContact CD2-NE2 3.74Å; H260-H262 AromaticContact NE2-CD2 3.58Å; H260-H262 AromaticContact NE2-CE1 3.86Å; H260-H262 AromaticContact NE2-NE2 2.99Å; H260-H262 PolarHBondContact NE2-NE2 3.37Å; H262-G272 CarbonylContact C-O 3.5Å; H262-G272 VanDerWaalsContact CA-O 3.27Å; H262-G272 WeakPolarHBondContact CA-O 3.44Å; H262-G272 WeakPolarHBondContact CB-O 3.32Å; H262-H273 AromaticContact CD2-CG 3.85Å; H262-H273 AromaticContact CD2-ND1 3.3Å; H262-H273 PolarHBondContact CD2-ND1 3.37Å; H262-H273 VanDerWaalsContact CD2-ND1 3.3Å; H262-H273 AromaticContact NE2-CG 3.79Å; H262-H273 AromaticContact NE2-ND1 3.03Å; H262-H273 PolarHBondContact NE2-ND1 3.03Å |
| 263 | C | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 159.1 | -171.3 | 65 | 0 | 0 | 0 | 0 | 113.2 | V110 V240 I241 S242 C271 G272 C274 | V110-C263 WeakPolarHBondContact CG2-O 3.38Å; V240-C263 HydrophobicContact CG1-CB 3.76Å; I241-C263 CarbonylContact O-C 3.6Å; I241-C263 WeakPolarHBondContact O-CA 3.4Å; I241-C263 WeakPolarHBondContact O-CB 3.41Å; S242-C263 VanDerWaalsContact OG-CB 3.29Å; S242-C263 WeakPolarHBondContact OG-CB 3.36Å; C263-C271 CarbonylContact O-C 3.5Å; C263-C271 WeakPolarHBondContact O-CA 3.48Å; C263-C271 VanDerWaalsContact O-CB 3.23Å; C263-C271 WeakPolarHBondContact O-CB 3.39Å; C263-G272 PolarHBondContact N-O 3.08Å; C263-G272 PolarHBondContact O-N 3.24Å; C263-C274 HydrophobicContact CB-CB 3.98Å |
| 264 | F | 98.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.018 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 154.6 | 171.4 | 58.9 | -80.8 | 0 | 0 | 0 | 109.9 | Y44 V110 L125 I241 Q268 N270 C271 | Y44-F264 WeakPolarHBondContact O-CZ 3.2Å; V110-F264 HydrophobicContact CG1-CD1 3.75Å; V110-F264 HydrophobicContact CG1-CE1 4Å; V110-F264 HydrophobicContact CG2-CD1 4.33Å; L125-F264 HydrophobicContact CD1-CB 3.62Å; L125-F264 HydrophobicContact CD1-CD1 4.26Å; L125-F264 HydrophobicContact CD1-CD2 4.1Å; L125-F264 HydrophobicContact CD1-CG 3.74Å; I241-F264 HydrophobicContact CB-CD1 4.34Å; I241-F264 HydrophobicContact CB-CD2 4.31Å; I241-F264 HydrophobicContact CB-CE1 3.89Å; I241-F264 HydrophobicContact CB-CE2 3.83Å; I241-F264 HydrophobicContact CB-CZ 3.62Å; I241-F264 HydrophobicContact CD1-CD2 4.43Å; I241-F264 HydrophobicContact CD1-CE2 4.17Å; I241-F264 HydrophobicContact CG1-CE2 4.18Å; I241-F264 HydrophobicContact CG1-CZ 4.32Å; I241-F264 HydrophobicContact CG2-CE1 3.76Å; I241-F264 HydrophobicContact CG2-CE2 4.22Å; I241-F264 HydrophobicContact CG2-CZ 3.53Å; I241-F264 PolarHBondContact N-O 3.18Å; I241-F264 PolarHBondContact O-N 3.46Å; F264-Q268 HydrophobicContact CD2-CG 4.32Å; F264-N270 VanDerWaalsContact CA-O 3.23Å; F264-N270 WeakPolarHBondContact CA-O 3.29Å; F264-C271 HydrophobicContact CB-CB 3.74Å |
| 265 | N | 96.7 | Very high | 95.3 | Very high | 14 Ų | 14 | 24.3 Ų | 24.3 | 8% | 0.075 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 157.2 | 172.1 | 71.4 | -39.9 | 0 | 0 | 0 | 111.1 | M236 D267 Q268 T269 N270 | M236-N265 HydrophobicContact SD-CB 4.01Å; N265-D267 PolarHBondContact O-N 3.21Å; N265-Q268 WeakPolarHBondContact O-CA 3.24Å; N265-Q268 PolarHBondContact O-N 2.88Å; N265-Q268 PolarHBondContact OD1-N 2.8Å; N265-T269 PolarHBondContact ND2-OG1 3.4Å; N265-T269 PolarHBondContact OD1-N 3.06Å; N265-T269 PolarHBondContact OD1-OG1 3.46Å; N265-N270 PolarHBondContact N-O 3.34Å; N265-N270 VanDerWaalsContact N-O 3.13Å; N265-N270 PolarHBondContact OD1-N 3.32Å; N265-N270 PolarHBondContact OD1-O 2.88Å |
| 266 | Q | 95.1 | Very high | 95.1 | Very high | 75 Ų | 75 | 24.5 Ų | 24.5 | 35% | 0.35 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -41.3 | -177.7 | -174.9 | -179.8 | -2.9 | 0 | 0 | 113.6 | S42 P43 P239 I241 Q268 | S42-Q266 PolarHBondContact OG-NE2 3.26Å; P43-Q266 HydrophobicContact CB-CG 4.36Å; P239-Q266 HydrophobicContact CB-CB 4.43Å; P239-Q266 VanDerWaalsContact CG-OE1 3.31Å; P239-Q266 PolarHBondContact O-N 2.92Å; P239-Q266 VanDerWaalsContact O-N 3.15Å; I241-Q266 HydrophobicContact CD1-CB 4.22Å; Q266-Q268 PolarHBondContact O-N 3.42Å |
| 267 | D | 94.2 | Very high | 94.9 | Very high | 131 Ų | 131 | 24.7 Ų | 24.7 | 70% | 0.701 | 13% | 0.128 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -3.1 | -179.8 | -62 | -33 | 0 | 0 | 0 | 113.8 | N265 T269 | N265-D267 PolarHBondContact O-N 3.21Å; D267-T269 VanDerWaalsContact C-N 3.29Å; D267-T269 HydrophobicContact CB-CG2 4.12Å; D267-T269 PolarHBondContact O-N 3.08Å |
| 268 | Q | 95.1 | Very high | 94.4 | Very high | 57 Ų | 57 | 26.4 Ų | 26.4 | 27% | 0.266 | 14% | 0.141 | S | C | . | . | S | Bend | trans | 51.8 | 45.1 | -177.7 | -58 | -176.5 | -1.8 | 0 | 0 | 112.9 | L125 L138 F264 N265 Q266 | L125-Q268 HydrophobicContact CD1-CG 4.36Å; L138-Q268 HydrophobicContact CD1-CB 4.42Å; L138-Q268 WeakPolarHBondContact CD1-O 3.43Å; F264-Q268 HydrophobicContact CD2-CG 4.32Å; N265-Q268 WeakPolarHBondContact O-CA 3.24Å; N265-Q268 PolarHBondContact O-N 2.88Å; N265-Q268 PolarHBondContact OD1-N 2.8Å; Q266-Q268 PolarHBondContact O-N 3.42Å |
| 269 | T | 95.5 | Very high | 93.7 | Very high | 79 Ų | 79 | 29.3 Ų | 29.3 | 49% | 0.485 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -97.6 | -21.2 | 171.9 | 62.3 | 0 | 0 | 0 | 0 | 111.9 | N265 D267 | N265-T269 PolarHBondContact ND2-OG1 3.4Å; N265-T269 PolarHBondContact OD1-N 3.06Å; N265-T269 PolarHBondContact OD1-OG1 3.46Å; D267-T269 VanDerWaalsContact C-N 3.29Å; D267-T269 HydrophobicContact CB-CG2 4.12Å; D267-T269 PolarHBondContact O-N 3.08Å |
| 270 | N | 97.1 | Very high | 92.9 | Very high | 34 Ų | 34 | 29.4 Ų | 29.4 | 18% | 0.182 | 16% | 0.156 | C | C | . | . | trans | -137.9 | 138.9 | -176.1 | -67 | -60.6 | 0 | 0 | 0 | 110.5 | P136 Y210 M236 F264 N265 | P136-N270 WeakPolarHBondContact CG-OD1 3.16Å; Y210-N270 WeakPolarHBondContact OH-CB 3.45Å; Y210-N270 VanDerWaalsContact OH-CG 3.31Å; Y210-N270 PolarHBondContact OH-OD1 2.98Å; Y210-N270 VanDerWaalsContact OH-OD1 3.07Å; M236-N270 HydrophobicContact CB-CB 4.37Å; M236-N270 HydrophobicContact CE-CB 3.96Å; F264-N270 VanDerWaalsContact CA-O 3.23Å; F264-N270 WeakPolarHBondContact CA-O 3.29Å; N265-N270 PolarHBondContact N-O 3.34Å; N265-N270 VanDerWaalsContact N-O 3.13Å; N265-N270 PolarHBondContact OD1-N 3.32Å; N265-N270 PolarHBondContact OD1-O 2.88Å | ||
| 271 | C | 98.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 162.6 | 168.9 | 71.5 | 0 | 0 | 0 | 0 | 111.3 | V110 L125 F126 G127 L138 Y210 V212 C263 F264 | V110-C271 HydrophobicContact CG2-CB 3.89Å; L125-C271 HydrophobicContact CB-CB 4.27Å; L125-C271 HydrophobicContact CD1-CB 4.35Å; F126-C271 PolarHBondContact O-SG 2.84Å; G127-C271 VanDerWaalsContact CA-SG 3.54Å; G127-C271 PolarHBondContact N-SG 3.02Å; L138-C271 HydrophobicContact CD1-CB 3.92Å; Y210-C271 WeakPolarHBondContact CE2-O 3.31Å; V212-C271 VanDerWaalsContact CG1-O 3.28Å; V212-C271 WeakPolarHBondContact CG1-O 3.09Å; C263-C271 CarbonylContact O-C 3.5Å; C263-C271 WeakPolarHBondContact O-CA 3.48Å; C263-C271 VanDerWaalsContact O-CB 3.23Å; C263-C271 WeakPolarHBondContact O-CB 3.39Å; F264-C271 HydrophobicContact CB-CB 3.74Å |
| 272 | G | 97.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.6 | -157.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | H211 H262 C263 | H211-G272 CarbonylContact O-C 3.3Å; H211-G272 WeakPolarHBondContact O-CA 3.18Å; H262-G272 CarbonylContact C-O 3.5Å; H262-G272 VanDerWaalsContact CA-O 3.27Å; H262-G272 WeakPolarHBondContact CA-O 3.44Å; H262-G272 WeakPolarHBondContact CB-O 3.32Å; C263-G272 PolarHBondContact N-O 3.08Å; C263-G272 PolarHBondContact O-N 3.24Å |
| 273 | H | 96 | Very high | 91.7 | Very high | 5 Ų | 5 | 37.9 Ų | 37.9 | 2% | 0.023 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 125.7 | 179.8 | -175.7 | 96.8 | 0 | 0 | 0 | 111.6 | E108 Y210 H211 R257 H260 H262 H275 | E108-H273 HydrophobicContact CG-CB 4.24Å; Y210-H273 CarbonylContact C-O 3.43Å; Y210-H273 WeakPolarHBondContact CA-O 3.44Å; Y210-H273 VanDerWaalsContact CB-O 3.25Å; Y210-H273 WeakPolarHBondContact CB-O 3.27Å; H211-H273 WeakPolarHBondContact CE1-CB 3.27Å; H211-H273 AromaticContact CE1-CD2 3.33Å; H211-H273 PolarHBondContact CE1-CD2 2.82Å; H211-H273 AromaticContact CE1-CG 3.26Å; H211-H273 PolarHBondContact N-O 3.02Å; H211-H273 WeakPolarHBondContact ND1-CB 3.12Å; H211-H273 AromaticContact ND1-CD2 3.64Å; H211-H273 AromaticContact ND1-CG 3.71Å; H211-H273 PolarHBondContact O-N 2.73Å; R257-H273 PolarHBondContact NH1-CE1 3.44Å; R257-H273 PolarHBondContact NH2-CE1 3.18Å; R257-H273 PolarHBondContact NH2-NE2 3.23Å; H260-H273 AromaticContact CD2-CE1 3.47Å; H260-H273 PolarHBondContact CD2-CE1 2.78Å; H260-H273 VanDerWaalsContact CD2-CE1 3.47Å; H260-H273 AromaticContact CD2-ND1 3.75Å; H260-H273 AromaticContact NE2-CE1 3.64Å; H260-H273 AromaticContact NE2-ND1 3.56Å; H262-H273 AromaticContact CD2-CG 3.85Å; H262-H273 AromaticContact CD2-ND1 3.3Å; H262-H273 PolarHBondContact CD2-ND1 3.37Å; H262-H273 VanDerWaalsContact CD2-ND1 3.3Å; H262-H273 AromaticContact NE2-CG 3.79Å; H262-H273 AromaticContact NE2-ND1 3.03Å; H262-H273 PolarHBondContact NE2-ND1 3.03Å; H273-H275 AromaticContact CD2-CE1 3.99Å; H273-H275 AromaticContact CD2-NE2 3.9Å |
| 274 | C | 91.4 | Very high | 91.7 | Very high | 14 Ų | 14 | 38.3 Ų | 38.3 | 10% | 0.095 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 141 | -174.4 | -164.3 | 0 | 0 | 0 | 0 | 111.9 | F261 C263 | F261-C274 HydrophobicContact CB-CB 4.44Å; F261-C274 WeakPolarHBondContact O-CB 3.45Å; F261-C274 PolarHBondContact O-N 3.24Å; C263-C274 HydrophobicContact CB-CB 3.98Å |
| 275 | H | 89.1 | Confident | 91.6 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 5% | 0.046 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | -105.9 | 172.7 | -72.9 | -77.4 | 0 | 0 | 0 | 111.6 | L209 H211 M233 H273 F326 | L209-H275 HydrophobicContact CB-CB 4.44Å; L209-H275 WeakPolarHBondContact O-CB 3.39Å; L209-H275 PolarHBondContact O-N 2.78Å; H211-H275 AromaticContact CE1-NE2 3.55Å; H211-H275 AromaticContact CG-NE2 3.91Å; H211-H275 AromaticContact ND1-CD2 3.55Å; H211-H275 AromaticContact ND1-CE1 3.88Å; H211-H275 AromaticContact ND1-NE2 2.85Å; H211-H275 PolarHBondContact ND1-NE2 2.97Å; M233-H275 WeakPolarHBondContact CE-NE2 3.41Å; H273-H275 AromaticContact CD2-CE1 3.99Å; H273-H275 AromaticContact CD2-NE2 3.9Å; H275-F326 AromaticContact CE1-CD2 3.54Å; H275-F326 AromaticContact ND1-CD2 3.99Å |
| 276 | F | 85.9 | Confident | 91.7 | Very high | 34 Ų | 34 | 41.8 Ų | 41.8 | 15% | 0.149 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 154.4 | -174.9 | -48.9 | -98.7 | 0 | 0 | 0 | 110.7 | G174 K175 L209 F326 | G174-F276 VanDerWaalsContact C-CD1 3.48Å; K175-F276 HydrophobicContact CB-CD1 4.13Å; K175-F276 HydrophobicContact CB-CE1 3.99Å; K175-F276 HydrophobicContact CB-CZ 4.47Å; K175-F276 HydrophobicContact CD-CE1 3.94Å; K175-F276 HydrophobicContact CD-CE2 4.08Å; K175-F276 HydrophobicContact CD-CZ 3.53Å; K175-F276 HydrophobicContact CG-CD1 3.37Å; K175-F276 HydrophobicContact CG-CD2 4.25Å; K175-F276 HydrophobicContact CG-CE1 2.95Å; K175-F276 HydrophobicContact CG-CE2 3.85Å; K175-F276 HydrophobicContact CG-CG 3.96Å; K175-F276 HydrophobicContact CG-CZ 3.09Å; L209-F276 WeakPolarHBondContact CB-O 3.49Å; L209-F276 PolarHBondContact N-O 2.92Å; F276-F326 HydrophobicContact CE2-CB 3.64Å; F276-F326 HydrophobicContact CE2-CG 4.44Å; F276-F326 HydrophobicContact CZ-CB 3.84Å; F276-F326 WeakPolarHBondContact CZ-O 3.5Å; F276-F326 WeakPolarHBondContact CZ-OXT 3.1Å |
| 277 | D | 87.7 | Confident | 91.9 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 143.9 | 154.7 | 67.2 | 96.5 | 0 | 0 | 0 | 111.8 | R170 K207 H279 G280 V283 Y285 | R170-D277 VanDerWaalsContact CZ-CG 3.44Å; R170-D277 IonicContact CZ-OD1 3.76Å; R170-D277 IonicContact CZ-OD2 2.81Å; R170-D277 IonicContact NE-OD1 2.76Å; R170-D277 IonicContact NE-OD2 3.96Å; R170-D277 IonicContact NH1-OD1 2.62Å; R170-D277 IonicContact NH1-OD2 2.75Å; R170-D277 PolarHBondContact NH1-OD2 3.25Å; R170-D277 PolarHBondContact NH2-O 2.83Å; R170-D277 IonicContact NH2-OD1 3.27Å; R170-D277 PolarHBondContact NH2-OD1 2.92Å; R170-D277 IonicContact NH2-OD2 3.16Å; R170-D277 PolarHBondContact NH2-OD2 3.09Å; K207-D277 WeakPolarHBondContact O-CA 3.38Å; K207-D277 VanDerWaalsContact O-CB 3.28Å; K207-D277 WeakPolarHBondContact O-CB 3.35Å; D277-H279 VanDerWaalsContact OD1-C 3.3Å; D277-G280 WeakPolarHBondContact OD1-CA 3.49Å; D277-G280 PolarHBondContact OD1-N 3.07Å; D277-V283 HydrophobicContact CB-CB 4.26Å; D277-V283 HydrophobicContact CB-CG2 3.65Å; D277-Y285 VanDerWaalsContact CB-OH 3.29Å; D277-Y285 WeakPolarHBondContact CB-OH 3.46Å; D277-Y285 PolarHBondContact OD2-OH 3.02Å |
| 278 | T | 83.3 | Confident | 92.1 | Very high | 54 Ų | 54 | 32.4 Ų | 32.4 | 33% | 0.331 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -93.6 | 2.4 | -179.4 | 59.5 | 0 | 0 | 0 | 0 | 113.1 | K207 L209 E235 | K207-T278 WeakPolarHBondContact CB-OG1 3.21Å; K207-T278 PolarHBondContact O-N 2.9Å; K207-T278 VanDerWaalsContact O-N 3.1Å; L209-T278 HydrophobicContact CB-CG2 4.02Å; E235-T278 VanDerWaalsContact OE1-CB 3.27Å; E235-T278 WeakPolarHBondContact OE1-CB 3.49Å; E235-T278 WeakPolarHBondContact OE1-CG2 3.3Å; E235-T278 PolarHBondContact OE1-OG1 2.89Å |
| 279 | H | 80.8 | Confident | 92.3 | Very high | 86 Ų | 86 | 29.7 Ų | 29.7 | 40% | 0.398 | 16% | 0.164 | S | C | . | . | trans | -136.4 | 61.3 | -175.7 | -65.2 | 78.4 | 0 | 0 | 0 | 111.4 | D277 T282 V283 | D277-H279 VanDerWaalsContact OD1-C 3.3Å; H279-T282 PolarHBondContact O-N 2.91Å; H279-T282 PolarHBondContact O-OG1 3.45Å; H279-V283 PolarHBondContact O-N 2.94Å | ||
| 280 | G | 78 | Confident | 92.4 | Very high | 8 Ų | 8 | 26.4 Ų | 26.4 | 8% | 0.082 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -45.3 | -55.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | R170 D277 T282 V283 | R170-G280 WeakPolarHBondContact CB-O 3.38Å; R170-G280 PolarHBondContact N-O 2.88Å; R170-G280 VanDerWaalsContact N-O 3.15Å; D277-G280 WeakPolarHBondContact OD1-CA 3.49Å; D277-G280 PolarHBondContact OD1-N 3.07Å; G280-T282 PolarHBondContact O-N 3.25Å; G280-T282 VanDerWaalsContact O-N 3.08Å; G280-V283 VanDerWaalsContact O-CG1 3.25Å; G280-V283 WeakPolarHBondContact O-CG1 3.44Å; G280-V283 PolarHBondContact O-N 2.61Å |
| 281 | P | 85.6 | Confident | 92.5 | Very high | 98 Ų | 98 | 25.2 Ų | 25.2 | 64% | 0.636 | 14% | 0.138 | S | C | * | . | G | 310 helix | trans | -63.9 | -19.4 | -173.4 | -26.4 | 36.2 | 0 | 0 | 0 | 115.1 | G169 | G169-P281 WeakPolarHBondContact CA-O 3.19Š|
| 282 | T | 88.9 | Confident | 92.5 | Very high | 86 Ų | 86 | 25.1 Ų | 25.1 | 53% | 0.528 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -107 | -4.8 | -178.9 | 54 | 0 | 0 | 0 | 0 | 113.3 | H279 G280 | H279-T282 PolarHBondContact O-N 2.91Å; H279-T282 PolarHBondContact O-OG1 3.45Å; G280-T282 PolarHBondContact O-N 3.25Å; G280-T282 VanDerWaalsContact O-N 3.08Å |
| 283 | V | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -68.2 | 142.2 | -177.6 | 81.3 | 0 | 0 | 0 | 0 | 111.2 | F26 S168 G169 R170 Q203 Q205 D277 H279 G280 Y285 | F26-V283 HydrophobicContact CE1-CG1 4.05Å; S168-V283 WeakPolarHBondContact CA-O 3.49Å; G169-V283 PolarHBondContact N-O 3.03Å; R170-V283 HydrophobicContact CB-CG1 3.99Å; Q203-V283 HydrophobicContact CG-CG2 3.88Å; Q205-V283 WeakPolarHBondContact O-CG2 3.23Å; D277-V283 HydrophobicContact CB-CB 4.26Å; D277-V283 HydrophobicContact CB-CG2 3.65Å; H279-V283 PolarHBondContact O-N 2.94Å; G280-V283 VanDerWaalsContact O-CG1 3.25Å; G280-V283 WeakPolarHBondContact O-CG1 3.44Å; G280-V283 PolarHBondContact O-N 2.61Å; V283-Y285 HydrophobicContact CB-CE2 4.16Å; V283-Y285 HydrophobicContact CG1-CD2 4.18Å; V283-Y285 HydrophobicContact CG1-CE2 3.68Å; V283-Y285 HydrophobicContact CG2-CD2 3.97Å; V283-Y285 HydrophobicContact CG2-CE1 4.34Å; V283-Y285 HydrophobicContact CG2-CE2 3.31Å | ||
| 284 | S | 96.5 | Very high | 92.6 | Very high | 9 Ų | 9 | 29 Ų | 29 | 6% | 0.063 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 142.1 | 163.9 | 66.4 | 0 | 0 | 0 | 0 | 110.5 | V167 E204 | V167-S284 VanDerWaalsContact O-CA 3.3Å; V167-S284 WeakPolarHBondContact O-CA 3.23Å; E204-S284 WeakPolarHBondContact CB-OG 3.09Å; E204-S284 PolarHBondContact N-O 2.91Å; E204-S284 PolarHBondContact OE2-OG 3.21Å |
| 285 | Y | 97.8 | Very high | 92.9 | Very high | 12 Ų | 12 | 28.4 Ų | 28.4 | 5% | 0.047 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 142.7 | 178.6 | -64.6 | -84.3 | 0 | 0 | 0 | 110.3 | F26 N166 V167 F176 I201 V202 Q203 D277 V283 | F26-Y285 HydrophobicContact CE1-CD2 4.18Å; F26-Y285 HydrophobicContact CE1-CE2 4.37Å; F26-Y285 HydrophobicContact CZ-CD2 4.32Å; F26-Y285 HydrophobicContact CZ-CE2 4.44Å; N166-Y285 WeakPolarHBondContact CA-O 3.41Å; V167-Y285 HydrophobicContact CG2-CD2 4.06Å; V167-Y285 HydrophobicContact CG2-CG 4.42Å; V167-Y285 PolarHBondContact N-O 3.04Å; V167-Y285 PolarHBondContact O-N 3.18Å; F176-Y285 HydrophobicContact CB-CD2 4.27Å; F176-Y285 HydrophobicContact CB-CE1 4.32Å; F176-Y285 HydrophobicContact CB-CE2 3.92Å; F176-Y285 AromaticContact CD1-CD1 3.76Å; F176-Y285 HydrophobicContact CD1-CD1 3.76Å; F176-Y285 HydrophobicContact CD1-CD2 4.15Å; F176-Y285 HydrophobicContact CD1-CE1 4.17Å; F176-Y285 AromaticContact CD1-CG 3.74Å; F176-Y285 HydrophobicContact CD1-CG 3.74Å; F176-Y285 HydrophobicContact CD2-CD2 4.09Å; F176-Y285 HydrophobicContact CD2-CG 4.39Å; F176-Y285 HydrophobicContact CE1-CD1 4.14Å; F176-Y285 AromaticContact CE1-CG 3.9Å; F176-Y285 HydrophobicContact CE1-CG 3.9Å; F176-Y285 HydrophobicContact CE2-CD2 4.49Å; F176-Y285 HydrophobicContact CG-CD1 4.26Å; F176-Y285 AromaticContact CG-CD2 3.9Å; F176-Y285 HydrophobicContact CG-CD2 3.9Å; F176-Y285 HydrophobicContact CG-CE1 4.42Å; F176-Y285 HydrophobicContact CG-CE2 4.07Å; F176-Y285 AromaticContact CG-CG 3.98Å; F176-Y285 HydrophobicContact CG-CG 3.98Å; F176-Y285 HydrophobicContact CZ-CG 4.28Å; I201-Y285 HydrophobicContact CG2-CD1 3.84Å; V202-Y285 CarbonylContact O-C 3.57Å; V202-Y285 WeakPolarHBondContact O-CA 3.48Å; Q203-Y285 HydrophobicContact CB-CD1 3.73Å; Q203-Y285 HydrophobicContact CB-CE1 3.52Å; Q203-Y285 HydrophobicContact CG-CD1 3.92Å; Q203-Y285 HydrophobicContact CG-CE1 3.48Å; Q203-Y285 VanDerWaalsContact CG-CE1 3.48Å; Q203-Y285 PolarHBondContact OE1-OH 2.62Å; D277-Y285 VanDerWaalsContact CB-OH 3.29Å; D277-Y285 WeakPolarHBondContact CB-OH 3.46Å; D277-Y285 PolarHBondContact OD2-OH 3.02Å; V283-Y285 HydrophobicContact CB-CE2 4.16Å; V283-Y285 HydrophobicContact CG1-CD2 4.18Å; V283-Y285 HydrophobicContact CG1-CE2 3.68Å; V283-Y285 HydrophobicContact CG2-CD2 3.97Å; V283-Y285 HydrophobicContact CG2-CE1 4.34Å; V283-Y285 HydrophobicContact CG2-CE2 3.31Å |
| 286 | R | 98.3 | Very high | 93.3 | Very high | 79 Ų | 79 | 28 Ų | 28 | 30% | 0.298 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.1 | 165.8 | -170.7 | 179 | -44.6 | -152.6 | -0.9 | 109.8 | E164 L165 N166 I201 V202 E204 Y288 | E164-R286 IonicContact OE1-NH1 3.18Å; L165-R286 CarbonylContact O-C 3.55Å; L165-R286 VanDerWaalsContact O-CA 3.25Å; L165-R286 WeakPolarHBondContact O-CA 3.49Å; N166-R286 WeakPolarHBondContact OD1-CG 3.34Å; N166-R286 PolarHBondContact OD1-NE 3.46Å; I201-R286 CarbonylContact C-O 3.55Å; I201-R286 WeakPolarHBondContact CA-O 3.35Å; V202-R286 PolarHBondContact N-O 3.47Å; V202-R286 PolarHBondContact O-N 2.78Å; E204-R286 HydrophobicContact CG-CB 4.41Å; E204-R286 IonicContact OE1-CZ 3.17Å; E204-R286 IonicContact OE1-NE 2.74Å; E204-R286 PolarHBondContact OE1-NE 3.3Å; E204-R286 IonicContact OE1-NH2 3.21Å; E204-R286 PolarHBondContact OE1-NH2 3.33Å; R286-Y288 WeakPolarHBondContact CD-OH 3.47Å; R286-Y288 HydrophobicContact CG-CE2 3.96Å |
| 287 | G | 98.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 144.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E164 L165 V200 | E164-G287 CarbonylContact C-O 3.13Å; E164-G287 WeakPolarHBondContact CA-O 3.33Å; L165-G287 PolarHBondContact N-O 2.88Å; L165-G287 PolarHBondContact O-N 2.98Å; V200-G287 CarbonylContact O-C 3.48Å; V200-G287 VanDerWaalsContact O-CA 3.29Å; V200-G287 WeakPolarHBondContact O-CA 3.19Å |
| 288 | Y | 98.7 | Very high | 94.4 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 124.7 | 170.7 | -62.8 | -77.9 | 0 | 0 | 0 | 109.5 | T34 P37 L39 Y44 L51 V162 I163 E164 G199 V200 R286 | T34-Y288 HydrophobicContact CG2-CD1 4.42Å; T34-Y288 HydrophobicContact CG2-CE1 4.06Å; P37-Y288 HydrophobicContact CG-CD1 4.2Å; P37-Y288 HydrophobicContact CG-CD2 4.03Å; P37-Y288 HydrophobicContact CG-CE1 3.84Å; P37-Y288 HydrophobicContact CG-CE2 3.65Å; P37-Y288 HydrophobicContact CG-CG 4.29Å; L39-Y288 HydrophobicContact CD2-CD2 4.45Å; Y44-Y288 HydrophobicContact CE1-CD2 4.18Å; Y44-Y288 AromaticContact CE1-CE2 3.88Å; Y44-Y288 HydrophobicContact CE1-CE2 3.88Å; Y44-Y288 AromaticContact CZ-CE2 3.98Å; Y44-Y288 WeakPolarHBondContact OH-CE2 3.38Å; L51-Y288 WeakPolarHBondContact CD1-O 3.28Å; V162-Y288 HydrophobicContact CG2-CD1 3.9Å; I163-Y288 CarbonylContact O-C 3.57Å; I163-Y288 VanDerWaalsContact O-CA 3.26Å; I163-Y288 WeakPolarHBondContact O-CA 3.31Å; E164-Y288 HydrophobicContact CB-CD1 3.93Å; E164-Y288 HydrophobicContact CB-CE1 3.7Å; E164-Y288 HydrophobicContact CG-CD1 4.13Å; E164-Y288 HydrophobicContact CG-CE1 3.52Å; E164-Y288 WeakPolarHBondContact OE1-CE1 3.2Å; E164-Y288 PolarHBondContact OE1-OH 3.36Å; G199-Y288 VanDerWaalsContact CA-O 3.26Å; G199-Y288 WeakPolarHBondContact CA-O 3.27Å; V200-Y288 HydrophobicContact CG1-CD2 4.26Å; V200-Y288 PolarHBondContact N-O 3.05Å; V200-Y288 PolarHBondContact O-N 2.71Å; R286-Y288 WeakPolarHBondContact CD-OH 3.47Å; R286-Y288 HydrophobicContact CG-CE2 3.96Å |
| 289 | F | 98.7 | Very high | 95 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 142.7 | -173.6 | -55.2 | -81.9 | 0 | 0 | 0 | 113.1 | I163 L165 I180 L197 G198 I201 F261 | I163-F289 HydrophobicContact CB-CB 4.38Å; I163-F289 PolarHBondContact N-O 2.96Å; I163-F289 PolarHBondContact O-N 3.49Å; L165-F289 HydrophobicContact CB-CE2 4.34Å; L165-F289 HydrophobicContact CD2-CE2 4.34Å; I180-F289 HydrophobicContact CD1-CE1 4.39Å; I180-F289 HydrophobicContact CD1-CE2 4.07Å; I180-F289 HydrophobicContact CD1-CZ 3.57Å; L197-F289 HydrophobicContact CD1-CB 4.41Å; G198-F289 WeakPolarHBondContact O-CA 3.39Å; I201-F289 HydrophobicContact CD1-CE1 4.26Å; I201-F289 HydrophobicContact CD1-CZ 3.92Å; I201-F289 HydrophobicContact CG1-CE1 4.03Å; I201-F289 HydrophobicContact CG1-CZ 3.57Å; F261-F289 HydrophobicContact CE1-CE1 4.41Å; F261-F289 HydrophobicContact CZ-CE1 4.24Å |
| 290 | S | 98.5 | Very high | 95.6 | Very high | 11 Ų | 11 | 26 Ų | 26 | 8% | 0.077 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 155.3 | 166.9 | -74.8 | 0 | 0 | 0 | 0 | 110.5 | L51 L197 G198 | L51-S290 WeakPolarHBondContact CB-OG 3.39Å; L51-S290 WeakPolarHBondContact O-CB 3.39Å; L51-S290 PolarHBondContact O-OG 2.89Å; L197-S290 WeakPolarHBondContact CA-O 3.28Å; G198-S290 PolarHBondContact N-O 3.34Å; G198-S290 VanDerWaalsContact N-O 3.08Å; G198-S290 PolarHBondContact O-N 3.15Å |
| 291 | I | 98.5 | Very high | 96.2 | Very high | 9 Ų | 9 | 26.5 Ų | 26.5 | 5% | 0.046 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 125.7 | 178 | -53.6 | 170 | 0 | 0 | 0 | 108.7 | K8 P9 L11 V14 I163 V195 L197 | K8-I291 HydrophobicContact CB-CG2 4.48Å; K8-I291 HydrophobicContact CG-CB 4.34Å; K8-I291 HydrophobicContact CG-CG2 3.84Å; P9-I291 WeakPolarHBondContact O-CD1 3.45Å; L11-I291 HydrophobicContact CD2-CD1 3.76Å; L11-I291 HydrophobicContact CD2-CG1 3.99Å; L11-I291 HydrophobicContact CG-CD1 4.49Å; V14-I291 HydrophobicContact CB-CD1 4.23Å; V14-I291 HydrophobicContact CG2-CD1 3.58Å; V14-I291 HydrophobicContact CG2-CG1 4.33Å; I163-I291 HydrophobicContact CD1-CG1 4.49Å; V195-I291 HydrophobicContact CG1-CG2 4.42Å; L197-I291 HydrophobicContact CD2-CB 4.3Å; L197-I291 HydrophobicContact CD2-CG1 3.72Å |
| 292 | A | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 140.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L6 G55 I57 F153 G196 | L6-A292 HydrophobicContact CD1-CB 3.82Å; G55-A292 CarbonylContact O-C 3.56Å; G55-A292 WeakPolarHBondContact O-CA 3.45Å; I57-A292 HydrophobicContact CD1-CB 4.1Å; I57-A292 HydrophobicContact CG1-CB 3.72Å; F153-A292 HydrophobicContact CD2-CB 4.49Å; F153-A292 HydrophobicContact CE2-CB 4.04Å; G196-A292 PolarHBondContact O-N 3.06Å |
| 293 | E | 97.6 | Very high | 94.7 | Very high | 28 Ų | 28 | 28.2 Ų | 28.2 | 13% | 0.131 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -91.7 | -23.3 | 172.7 | -57.2 | 105.8 | -175.9 | 0 | 0 | 112.9 | L6 K8 E54 G55 | L6-E293 PolarHBondContact N-O 3.1Å; K8-E293 HydrophobicContact CB-CG 4.47Å; K8-E293 HydrophobicContact CD-CG 3.6Å; K8-E293 WeakPolarHBondContact CE-OE1 3.19Å; K8-E293 HydrophobicContact CG-CG 4.24Å; K8-E293 IonicContact NZ-OE1 2.58Å; K8-E293 PolarHBondContact NZ-OE1 3.04Å; E54-E293 VanDerWaalsContact CA-OE2 3.29Å; E54-E293 WeakPolarHBondContact CA-OE2 3.49Å; G55-E293 PolarHBondContact N-OE2 2.99Å; G55-E293 PolarHBondContact O-N 2.86Å |
| 294 | H | 98 | Very high | 92.4 | Very high | 60 Ų | 60 | 35.6 Ų | 35.6 | 28% | 0.278 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 155.7 | -175.1 | -59.1 | 96.3 | 0 | 0 | 0 | 112 | L3 Y4 L6 G55 V56 I57 | L3-H294 HydrophobicContact CD1-CB 3.92Å; L3-H294 HydrophobicContact CG-CB 4.49Å; Y4-H294 CarbonylContact O-C 3.52Å; Y4-H294 VanDerWaalsContact O-CA 3.28Å; Y4-H294 WeakPolarHBondContact O-CA 3.37Å; L6-H294 WeakPolarHBondContact CD1-O 3.45Å; G55-H294 PolarHBondContact O-N 3.16Å; V56-H294 WeakPolarHBondContact CA-O 3.23Å; V56-H294 HydrophobicContact CG1-CB 4.21Å; V56-H294 HydrophobicContact CG2-CB 4.31Å; I57-H294 PolarHBondContact N-O 3.13Å |
| 295 | L | 98.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 122.3 | 168.5 | -176.4 | 152.3 | 0 | 0 | 0 | 109.2 | L3 Y4 L6 I57 L254 L256 R297 | L3-L295 WeakPolarHBondContact CA-O 3.15Å; Y4-L295 HydrophobicContact CD2-CD2 3.95Å; Y4-L295 PolarHBondContact N-O 2.87Å; Y4-L295 PolarHBondContact O-N 2.92Å; L6-L295 HydrophobicContact CD1-CB 4.17Å; L6-L295 HydrophobicContact CD2-CB 3.97Å; L6-L295 HydrophobicContact CG-CB 4.07Å; I57-L295 HydrophobicContact CG2-CD1 4.35Å; I57-L295 HydrophobicContact CG2-CG 4.44Å; I57-L295 CarbonylContact O-C 3.55Å; I57-L295 VanDerWaalsContact O-CA 3.27Å; I57-L295 WeakPolarHBondContact O-CA 3.35Å; L254-L295 HydrophobicContact CD1-CD2 3.75Å; L256-L295 HydrophobicContact CD1-CD1 3.4Å; L256-L295 HydrophobicContact CD2-CD1 4.12Å; L256-L295 HydrophobicContact CG-CD1 4.4Å; L295-R297 HydrophobicContact CD2-CB 4.12Å |
| 296 | L | 98.1 | Very high | 86.9 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 113 | 176.1 | 178.9 | 62.7 | 0 | 0 | 0 | 109.7 | M1 L3 V56 I57 C58 D59 A85 I298 | M1-L296 HydrophobicContact CG-CD1 3.65Å; M1-L296 HydrophobicContact SD-CD1 3.91Å; L3-L296 HydrophobicContact CD1-CB 4.09Å; L3-L296 HydrophobicContact CD1-CD1 4.17Å; V56-L296 HydrophobicContact CG1-CB 3.89Å; I57-L296 PolarHBondContact O-N 3.17Å; C58-L296 WeakPolarHBondContact CA-O 3.42Å; D59-L296 PolarHBondContact N-O 3.14Å; A85-L296 HydrophobicContact CB-CD2 3.89Å; L296-I298 HydrophobicContact CD1-CG1 4.41Å; L296-I298 HydrophobicContact CD2-CD1 3.88Å; L296-I298 HydrophobicContact CD2-CG1 4.41Å; L296-I298 HydrophobicContact CG-CD1 4.05Å; L296-I298 HydrophobicContact CG-CG1 4.05Å |
| 297 | R | 97.5 | Very high | 83.5 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 119.5 | 176.7 | -172.5 | 71.4 | -177.4 | 97.7 | -9.9 | 110.6 | M1 S2 Y4 D59 G61 L254 L295 Q300 P301 | M1-R297 CarbonylContact C-O 3.59Å; M1-R297 VanDerWaalsContact CA-O 3.24Å; M1-R297 WeakPolarHBondContact CA-O 3.48Å; S2-R297 PolarHBondContact N-O 3.49Å; S2-R297 PolarHBondContact O-N 3.18Å; Y4-R297 HydrophobicContact CE2-CB 4.01Å; D59-R297 WeakPolarHBondContact O-CA 3.42Å; D59-R297 PolarHBondContact O-NH1 2.65Å; D59-R297 WeakPolarHBondContact OD2-CD 3.38Å; D59-R297 IonicContact OD2-CZ 2.93Å; D59-R297 IonicContact OD2-NE 3Å; D59-R297 PolarHBondContact OD2-NE 3.35Å; D59-R297 IonicContact OD2-NH1 3.58Å; D59-R297 PolarHBondContact OD2-NH1 3.48Å; D59-R297 VanDerWaalsContact OD2-NH1 3.1Å; D59-R297 IonicContact OD2-NH2 3.49Å; D59-R297 PolarHBondContact OD2-NH2 3.37Å; G61-R297 PolarHBondContact O-NH1 2.91Å; G61-R297 PolarHBondContact O-NH2 2.99Å; L254-R297 PolarHBondContact O-NE 3.2Å; L295-R297 HydrophobicContact CD2-CB 4.12Å; R297-Q300 HydrophobicContact CG-CB 4Å; R297-P301 VanDerWaalsContact NH2-CD 3.33Å |
| 298 | I | 97.8 | Very high | 80.2 | Confident | 27 Ų | 27 | 54 Ų | 54 | 14% | 0.138 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 130.7 | -179.9 | -62.1 | 168.6 | 0 | 0 | 0 | 109.9 | M1 D59 V60 G61 L296 | M1-I298 HydrophobicContact CG-CG1 4.08Å; D59-I298 PolarHBondContact O-N 3.42Å; V60-I298 WeakPolarHBondContact CA-O 3.5Å; V60-I298 HydrophobicContact CB-CB 4.38Å; V60-I298 HydrophobicContact CG1-CB 4.07Å; V60-I298 HydrophobicContact CG1-CG2 3.96Å; V60-I298 HydrophobicContact CG2-CB 4.16Å; V60-I298 HydrophobicContact CG2-CD1 4.03Å; G61-I298 PolarHBondContact N-O 3.41Å; L296-I298 HydrophobicContact CD1-CG1 4.41Å; L296-I298 HydrophobicContact CD2-CD1 3.88Å; L296-I298 HydrophobicContact CD2-CG1 4.41Å; L296-I298 HydrophobicContact CG-CD1 4.05Å; L296-I298 HydrophobicContact CG-CG1 4.05Å |
| 299 | D | 96.4 | Very high | 77 | Confident | 52 Ų | 52 | 56.4 Ų | 56.4 | 28% | 0.278 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 55.1 | 54.9 | 177.7 | -164.5 | 28.7 | 0 | 0 | 0 | 113.1 | Y65 K74 Y76 | Y65-D299 WeakPolarHBondContact CE2-O 3.34Å; Y65-D299 VanDerWaalsContact CE2-OD2 3.31Å; Y65-D299 WeakPolarHBondContact CE2-OD2 3.4Å; Y65-D299 PolarHBondContact OH-O 3.23Å; Y65-D299 VanDerWaalsContact OH-O 3.09Å; Y65-D299 PolarHBondContact OH-OD1 3.35Å; K74-D299 VanDerWaalsContact NZ-CG 3.29Å; K74-D299 IonicContact NZ-OD1 3.1Å; K74-D299 PolarHBondContact NZ-OD1 3.22Å; K74-D299 IonicContact NZ-OD2 2.77Å; K74-D299 PolarHBondContact NZ-OD2 2.93Å; Y76-D299 HydrophobicContact CE1-CB 4.07Å; Y76-D299 PolarHBondContact OH-OD2 2.85Å |
| 300 | Q | 94.3 | Very high | 73.7 | Confident | 54 Ų | 54 | 60.9 Ų | 60.9 | 25% | 0.252 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 132.3 | 172.9 | -174.6 | -179.8 | -5.4 | 0 | 0 | 110.4 | R297 N302 | R297-Q300 HydrophobicContact CG-CB 4Å; Q300-N302 PolarHBondContact O-N 2.82Å |
| 301 | P | 90.4 | Very high | 70.8 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 12% | 0.117 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 138.5 | 173.7 | -24.5 | 32.1 | 0 | 0 | 0 | 112.4 | S62 D64 Y65 R297 N303 | S62-P301 WeakPolarHBondContact OG-CG 3.38Å; D64-P301 HydrophobicContact CB-CB 4.32Å; D64-P301 HydrophobicContact CB-CG 3.88Å; D64-P301 WeakPolarHBondContact OD2-CG 3.5Å; Y65-P301 HydrophobicContact CD1-CG 4.39Å; Y65-P301 HydrophobicContact CE1-CB 4.03Å; Y65-P301 HydrophobicContact CE1-CG 3.73Å; R297-P301 VanDerWaalsContact NH2-CD 3.33Å; P301-N303 PolarHBondContact O-N 2.79Å |
| 302 | N | 81.9 | Confident | 67.7 | Low | 130 Ų | 130 | 67.7 Ų | 67.7 | 70% | 0.695 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 122.2 | 174 | -71.8 | -23.5 | 0 | 0 | 0 | 110.1 | Q300 F304 H305 | Q300-N302 PolarHBondContact O-N 2.82Å; N302-F304 HydrophobicContact CB-CD2 4.4Å; N302-F304 PolarHBondContact O-N 3.49Å; N302-H305 PolarHBondContact O-N 2.87Å |
| 303 | N | 60.8 | Low | 64.7 | Low | 90 Ų | 90 | 77 Ų | 77 | 48% | 0.481 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -6.2 | -178.4 | -81.1 | -23.6 | 0 | 0 | 0 | 116 | P301 H305 H306 K307 | P301-N303 PolarHBondContact O-N 2.79Å; N303-H305 PolarHBondContact O-N 2.96Å; N303-H306 PolarHBondContact O-N 2.97Å; N303-K307 PolarHBondContact O-N 2.86Å; N303-K307 VanDerWaalsContact O-N 3.11Å |
| 304 | F | 46.3 | Very low | 61.8 | Low | 155 Ų | 155 | 81.1 Ų | 81.1 | 68% | 0.68 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -56.7 | -32.5 | 176 | -77.9 | -79.6 | 0 | 0 | 0 | 112.6 | N302 L308 | N302-F304 HydrophobicContact CB-CD2 4.4Å; N302-F304 PolarHBondContact O-N 3.49Å; F304-L308 WeakPolarHBondContact O-CB 3.49Å; F304-L308 PolarHBondContact O-N 3.01Å; F304-L308 VanDerWaalsContact O-N 3.08Å |
| 305 | H | 41.4 | Very low | 58.8 | Low | 115 Ų | 115 | 80.3 Ų | 80.3 | 53% | 0.532 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69.5 | -36.1 | 175.5 | -78.1 | 67.8 | 0 | 0 | 0 | 112.4 | N302 N303 I309 | N302-H305 PolarHBondContact O-N 2.87Å; N303-H305 PolarHBondContact O-N 2.96Å; H305-I309 VanDerWaalsContact O-CB 3.24Å; H305-I309 WeakPolarHBondContact O-CB 3.38Å; H305-I309 VanDerWaalsContact O-CG1 3.3Å; H305-I309 WeakPolarHBondContact O-CG1 3.49Å; H305-I309 PolarHBondContact O-N 3.02Å |
| 306 | H | 36.5 | Very low | 55.8 | Low | 77 Ų | 77 | 88.4 Ų | 88.4 | 36% | 0.356 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -73.9 | -32 | 177 | -71.8 | -58.4 | 0 | 0 | 0 | 113.6 | D64 N303 S310 | D64-H306 IonicContact OD2-NE2 3.79Å; N303-H306 PolarHBondContact O-N 2.97Å; H306-S310 PolarHBondContact O-N 3.23Å |
| 307 | K | 27.6 | Very low | 52.9 | Low | 166 Ų | 166 | 91.3 Ų | 91.3 | 72% | 0.722 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -75.8 | -45.1 | 176.5 | -84.9 | -173.9 | 176.8 | -179.6 | 0 | 112.6 | N303 I309 S310 | N303-K307 PolarHBondContact O-N 2.86Å; N303-K307 VanDerWaalsContact O-N 3.11Å; K307-I309 VanDerWaalsContact C-N 3.26Å; K307-I309 PolarHBondContact O-N 2.85Å; K307-S310 WeakPolarHBondContact O-CB 3.21Å; K307-S310 PolarHBondContact O-N 2.89Å; K307-S310 PolarHBondContact O-OG 3.07Å |
| 308 | L | 27.9 | Very low | 49.9 | Very low | 129 Ų | 129 | 91.8 Ų | 91.8 | 68% | 0.675 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -69.8 | -25.1 | 179.2 | -82.4 | 157.7 | 0 | 0 | 0 | 112.8 | F304 T311 | F304-L308 WeakPolarHBondContact O-CB 3.49Å; F304-L308 PolarHBondContact O-N 3.01Å; F304-L308 VanDerWaalsContact O-N 3.08Å; L308-T311 PolarHBondContact O-OG1 3.41Å |
| 309 | I | 31.9 | Very low | 47.1 | Very low | 58 Ų | 58 | 94.2 Ų | 94.2 | 30% | 0.297 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -97.7 | 3.4 | 178.1 | -57.3 | 169.1 | 0 | 0 | 0 | 110.8 | H305 K307 T311 G312 L315 | H305-I309 VanDerWaalsContact O-CB 3.24Å; H305-I309 WeakPolarHBondContact O-CB 3.38Å; H305-I309 VanDerWaalsContact O-CG1 3.3Å; H305-I309 WeakPolarHBondContact O-CG1 3.49Å; H305-I309 PolarHBondContact O-N 3.02Å; K307-I309 VanDerWaalsContact C-N 3.26Å; K307-I309 PolarHBondContact O-N 2.85Å; I309-T311 PolarHBondContact O-N 2.87Å; I309-G312 WeakPolarHBondContact CG2-O 3.17Å; I309-G312 CarbonylContact O-C 3.56Å; I309-G312 WeakPolarHBondContact O-CA 3.29Å; I309-G312 PolarHBondContact O-N 3.33Å; I309-L315 HydrophobicContact CB-CD1 4.08Å; I309-L315 HydrophobicContact CD1-CD1 3.19Å; I309-L315 HydrophobicContact CD1-CG 4.2Å; I309-L315 HydrophobicContact CG1-CD1 4.17Å; I309-L315 HydrophobicContact CG2-CB 3.94Å; I309-L315 HydrophobicContact CG2-CD1 3.85Å; I309-L315 HydrophobicContact CG2-CG 3.95Å |
| 310 | S | 30 | Very low | 44.3 | Very low | 94 Ų | 94 | 100.1 Ų | 100.1 | 66% | 0.657 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -64.8 | -16.1 | 165 | 70.8 | 0 | 0 | 0 | 0 | 112.8 | H306 K307 G312 | H306-S310 PolarHBondContact O-N 3.23Å; K307-S310 WeakPolarHBondContact O-CB 3.21Å; K307-S310 PolarHBondContact O-N 2.89Å; K307-S310 PolarHBondContact O-OG 3.07Å; S310-G312 VanDerWaalsContact C-N 3.34Å |
| 311 | T | 38.3 | Very low | 41.6 | Very low | 133 Ų | 133 | 103 Ų | 103 | 82% | 0.816 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -83 | -8.5 | 165.7 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | L308 I309 | L308-T311 PolarHBondContact O-OG1 3.41Å; I309-T311 PolarHBondContact O-N 2.87Å |
| 312 | G | 32 | Very low | 39.3 | Very low | 30 Ų | 30 | 103.8 Ų | 103.8 | 31% | 0.309 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -126.2 | 99.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | I309 S310 L314 | I309-G312 WeakPolarHBondContact CG2-O 3.17Å; I309-G312 CarbonylContact O-C 3.56Å; I309-G312 WeakPolarHBondContact O-CA 3.29Å; I309-G312 PolarHBondContact O-N 3.33Å; S310-G312 VanDerWaalsContact C-N 3.34Å; G312-L314 PolarHBondContact O-N 2.91Å |
| 313 | K | 36.8 | Very low | 37.4 | Very low | 197 Ų | 197 | 99.6 Ų | 99.6 | 86% | 0.857 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.6 | -8.1 | 177.2 | -88.7 | 174.7 | 171 | 176.3 | 0 | 117.4 | T317 | K313-T317 PolarHBondContact O-OG1 2.85Š|
| 314 | L | 36.8 | Very low | 36.2 | Very low | 113 Ų | 113 | 99.7 Ų | 99.7 | 59% | 0.592 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -71.6 | -38.6 | -167.9 | -135.2 | 79.5 | 0 | 0 | 0 | 115.8 | G312 T317 L318 | G312-L314 PolarHBondContact O-N 2.91Å; L314-T317 VanDerWaalsContact C-OG1 3.23Å; L314-T317 WeakPolarHBondContact CA-OG1 3.34Å; L314-T317 PolarHBondContact O-OG1 2.92Å; L314-L318 PolarHBondContact O-N 2.96Å; L314-L318 VanDerWaalsContact O-N 3.15Å |
| 315 | L | 33.6 | Very low | 35.9 | Very low | 43 Ų | 43 | 93.1 Ų | 93.1 | 23% | 0.225 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -83.5 | -37.5 | -174.2 | -83.9 | -179.5 | 0 | 0 | 0 | 114.3 | I309 T317 L318 K319 | I309-L315 HydrophobicContact CB-CD1 4.08Å; I309-L315 HydrophobicContact CD1-CD1 3.19Å; I309-L315 HydrophobicContact CD1-CG 4.2Å; I309-L315 HydrophobicContact CG1-CD1 4.17Å; I309-L315 HydrophobicContact CG2-CB 3.94Å; I309-L315 HydrophobicContact CG2-CD1 3.85Å; I309-L315 HydrophobicContact CG2-CG 3.95Å; L315-T317 PolarHBondContact O-N 3.28Å; L315-L318 HydrophobicContact CD2-CD1 3.96Å; L315-L318 PolarHBondContact O-N 2.94Å; L315-L318 VanDerWaalsContact O-N 3.13Å; L315-K319 PolarHBondContact O-N 3.45Å |
| 316 | K | 35.7 | Very low | 35.7 | Very low | 171 Ų | 171 | 91.8 Ų | 91.8 | 74% | 0.743 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.2 | -32.5 | 172.1 | -82 | -171.3 | 177.3 | -176.8 | 0 | 110.9 | Y320 | K316-Y320 PolarHBondContact O-N 3.3Å |
| 317 | T | 36.8 | Very low | 35.6 | Very low | 61 Ų | 61 | 92.6 Ų | 92.6 | 37% | 0.374 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -70 | -41.4 | 173.5 | 29.7 | 0 | 0 | 0 | 0 | 111.5 | K313 L314 L315 K319 Y320 W321 | K313-T317 PolarHBondContact O-OG1 2.85Å; L314-T317 VanDerWaalsContact C-OG1 3.23Å; L314-T317 WeakPolarHBondContact CA-OG1 3.34Å; L314-T317 PolarHBondContact O-OG1 2.92Å; L315-T317 PolarHBondContact O-N 3.28Å; T317-K319 PolarHBondContact O-N 3.27Å; T317-Y320 CarbonylContact O-C 3.49Å; T317-Y320 WeakPolarHBondContact O-CA 3.34Å; T317-Y320 WeakPolarHBondContact O-CB 3.33Å; T317-Y320 PolarHBondContact O-N 3.44Å; T317-Y320 VanDerWaalsContact O-N 3.11Å; T317-W321 VanDerWaalsContact O-CG 3.23Å; T317-W321 PolarHBondContact O-N 2.95Å |
| 318 | L | 34.8 | Very low | 36.1 | Very low | 14 Ų | 14 | 88.7 Ų | 88.7 | 7% | 0.073 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -54.1 | -42 | 175.7 | -97.7 | 143.5 | 0 | 0 | 0 | 115.1 | D222 L314 L315 W321 L322 | D222-L318 WeakPolarHBondContact O-CD1 3.36Å; L314-L318 PolarHBondContact O-N 2.96Å; L314-L318 VanDerWaalsContact O-N 3.15Å; L315-L318 HydrophobicContact CD2-CD1 3.96Å; L315-L318 PolarHBondContact O-N 2.94Å; L315-L318 VanDerWaalsContact O-N 3.13Å; L318-W321 WeakPolarHBondContact O-CB 3.34Å; L318-W321 PolarHBondContact O-N 3.36Å; L318-L322 PolarHBondContact O-N 3.19Å; L318-L322 VanDerWaalsContact O-N 3.15Å |
| 319 | K | 39.3 | Very low | 36.5 | Very low | 79 Ų | 79 | 86.4 Ų | 86.4 | 34% | 0.343 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.9 | -42.3 | 175.6 | -170.4 | 171.5 | 176.1 | 177.1 | 0 | 111.9 | G255 L256 L315 T317 W321 L322 D323 | G255-K319 PolarHBondContact O-NZ 3.29Å; L256-K319 VanDerWaalsContact O-CE 3.26Å; L256-K319 WeakPolarHBondContact O-CE 3.18Å; L256-K319 PolarHBondContact O-NZ 3.37Å; L315-K319 PolarHBondContact O-N 3.45Å; T317-K319 PolarHBondContact O-N 3.27Å; K319-W321 PolarHBondContact O-N 2.83Å; K319-L322 PolarHBondContact O-N 2.95Å; K319-D323 PolarHBondContact O-N 2.9Å |
| 320 | Y | 37.7 | Very low | 36.8 | Very low | 175 Ų | 175 | 88.1 Ų | 88.1 | 69% | 0.686 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.3 | -33.7 | 171.7 | -119.5 | -92.8 | 0 | 0 | 0 | 111.8 | K316 T317 D323 V324 | K316-Y320 PolarHBondContact O-N 3.3Å; T317-Y320 CarbonylContact O-C 3.49Å; T317-Y320 WeakPolarHBondContact O-CA 3.34Å; T317-Y320 WeakPolarHBondContact O-CB 3.33Å; T317-Y320 PolarHBondContact O-N 3.44Å; T317-Y320 VanDerWaalsContact O-N 3.11Å; Y320-D323 PolarHBondContact O-N 2.89Å; Y320-V324 HydrophobicContact CD1-CG2 3.68Å; Y320-V324 HydrophobicContact CE1-CG2 4.11Å; Y320-V324 WeakPolarHBondContact O-CB 3.48Å; Y320-V324 VanDerWaalsContact O-CG2 3.22Å; Y320-V324 WeakPolarHBondContact O-CG2 3.32Å; Y320-V324 PolarHBondContact O-N 3.36Å |
| 321 | W | 36.3 | Very low | 37.2 | Very low | 116 Ų | 116 | 87.8 Ų | 87.8 | 44% | 0.439 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 175.6 | -69.3 | 120 | 0 | 0 | 0 | 109.7 | T317 L318 K319 D323 V324 L325 | T317-W321 VanDerWaalsContact O-CG 3.23Å; T317-W321 PolarHBondContact O-N 2.95Å; L318-W321 WeakPolarHBondContact O-CB 3.34Å; L318-W321 PolarHBondContact O-N 3.36Å; K319-W321 PolarHBondContact O-N 2.83Å; W321-D323 VanDerWaalsContact C-N 3.25Å; W321-D323 PolarHBondContact O-N 3.36Å; W321-V324 PolarHBondContact O-N 3.12Å; W321-L325 VanDerWaalsContact C-CG 3.46Å; W321-L325 HydrophobicContact CB-CD1 3.68Å; W321-L325 HydrophobicContact CB-CD2 4.36Å; W321-L325 HydrophobicContact CB-CG 3.74Å; W321-L325 HydrophobicContact CD2-CD2 4.4Å; W321-L325 HydrophobicContact CE3-CD2 3.58Å; W321-L325 HydrophobicContact CE3-CG 4.04Å; W321-L325 HydrophobicContact CZ3-CD2 4.27Å; W321-L325 WeakPolarHBondContact O-CA 3.33Å; W321-L325 WeakPolarHBondContact O-CB 3.38Å; W321-L325 VanDerWaalsContact O-CD1 3.25Å; W321-L325 WeakPolarHBondContact O-CD1 3.27Å; W321-L325 WeakPolarHBondContact O-CG 3.39Å; W321-L325 PolarHBondContact O-N 2.75Å |
| 322 | L | 43.5 | Very low | 37.1 | Very low | 33 Ų | 33 | 84.7 Ų | 84.7 | 17% | 0.173 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -57.7 | -35.9 | 177.6 | -80.7 | 163.5 | 0 | 0 | 0 | 114.1 | F63 L67 L227 L318 K319 | F63-L322 HydrophobicContact CD1-CD1 3.81Å; F63-L322 HydrophobicContact CE1-CD1 4.27Å; F63-L322 HydrophobicContact CG-CD1 4.21Å; L67-L322 HydrophobicContact CD1-CD1 4.12Å; L227-L322 HydrophobicContact CD2-CD2 3.53Å; L227-L322 HydrophobicContact CD2-CG 4.07Å; L318-L322 PolarHBondContact O-N 3.19Å; L318-L322 VanDerWaalsContact O-N 3.15Å; K319-L322 PolarHBondContact O-N 2.95Å |
| 323 | D | 42.4 | Very low | 37.5 | Very low | 42 Ų | 42 | 88.6 Ų | 88.6 | 23% | 0.225 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -83.9 | -25.5 | 179.7 | -61.8 | -18.5 | 0 | 0 | 0 | 113 | K319 Y320 W321 | K319-D323 PolarHBondContact O-N 2.9Å; Y320-D323 PolarHBondContact O-N 2.89Å; W321-D323 VanDerWaalsContact C-N 3.25Å; W321-D323 PolarHBondContact O-N 3.36Å |
| 324 | V | 35.4 | Very low | 37.6 | Very low | 92 Ų | 92 | 80.3 Ų | 80.3 | 56% | 0.558 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -111.3 | -10.2 | -173.8 | -178.8 | 0 | 0 | 0 | 0 | 113.8 | Y320 W321 F326 | Y320-V324 HydrophobicContact CD1-CG2 3.68Å; Y320-V324 HydrophobicContact CE1-CG2 4.11Å; Y320-V324 WeakPolarHBondContact O-CB 3.48Å; Y320-V324 VanDerWaalsContact O-CG2 3.22Å; Y320-V324 WeakPolarHBondContact O-CG2 3.32Å; Y320-V324 PolarHBondContact O-N 3.36Å; W321-V324 PolarHBondContact O-N 3.12Å; V324-F326 PolarHBondContact O-N 2.96Å |
| 325 | L | 38.6 | Very low | 37.6 | Very low | 17 Ų | 17 | 77.6 Ų | 77.6 | 9% | 0.089 | 36% | 0.36 | C | S | . | . | trans | -67.5 | -7.4 | -177.4 | -84 | 168 | 0 | 0 | 0 | 113.6 | L227 R228 W321 | L227-L325 HydrophobicContact CD2-CD1 4.09Å; R228-L325 HydrophobicContact CG-CD1 4.47Å; R228-L325 HydrophobicContact CG-CD2 4.2Å; W321-L325 VanDerWaalsContact C-CG 3.46Å; W321-L325 HydrophobicContact CB-CD1 3.68Å; W321-L325 HydrophobicContact CB-CD2 4.36Å; W321-L325 HydrophobicContact CB-CG 3.74Å; W321-L325 HydrophobicContact CD2-CD2 4.4Å; W321-L325 HydrophobicContact CE3-CD2 3.58Å; W321-L325 HydrophobicContact CE3-CG 4.04Å; W321-L325 HydrophobicContact CZ3-CD2 4.27Å; W321-L325 WeakPolarHBondContact O-CA 3.33Å; W321-L325 WeakPolarHBondContact O-CB 3.38Å; W321-L325 VanDerWaalsContact O-CD1 3.25Å; W321-L325 WeakPolarHBondContact O-CD1 3.27Å; W321-L325 WeakPolarHBondContact O-CG 3.39Å; W321-L325 PolarHBondContact O-N 2.75Å | ||
| 326 | F | 37.7 | Very low | 38 | Very low | 88 Ų | 88 | 80.7 Ų | 80.7 | 39% | 0.386 | 37% | 0.372 | S | S | . | . | trans | -156.9 | 0 | -166.3 | -76.6 | -49.6 | 0 | 0 | 0 | 105.9 | K175 R228 I231 M233 H275 F276 V324 | K175-F326 WeakPolarHBondContact CE-OXT 3.44Å; R228-F326 HydrophobicContact CG-CE2 4.04Å; R228-F326 HydrophobicContact CG-CZ 3.66Å; I231-F326 HydrophobicContact CD1-CE2 3.96Å; I231-F326 HydrophobicContact CD1-CZ 4.21Å; M233-F326 HydrophobicContact CE-CD1 4.37Å; M233-F326 HydrophobicContact CE-CD2 4.33Å; M233-F326 HydrophobicContact CE-CE1 3.65Å; M233-F326 HydrophobicContact CE-CE2 3.59Å; M233-F326 HydrophobicContact CE-CZ 3.19Å; H275-F326 AromaticContact CE1-CD2 3.54Å; H275-F326 AromaticContact ND1-CD2 3.99Å; F276-F326 HydrophobicContact CE2-CB 3.64Å; F276-F326 HydrophobicContact CE2-CG 4.44Å; F276-F326 HydrophobicContact CZ-CB 3.84Å; F276-F326 WeakPolarHBondContact CZ-O 3.5Å; F276-F326 WeakPolarHBondContact CZ-OXT 3.1Å; V324-F326 PolarHBondContact O-N 2.96Å |
Retrieved 326 of 326 residues in 253.8 ms
(Link to these results)