| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.3 | Very low | 61.5 | Low | 177 Ų | 177 | 72.1 Ų | 72.1 | 87% | 0.872 | 32% | 0.32 | S | S | * | . | 0 | 108.2 | 0 | -89 | -173.2 | 176.1 | 0 | 0 | 110.5 | T180 | M1-T180 CarbonylContact O-C 3.33Å; M1-T180 WeakPolarHBondContact O-CA 3.17Å; M1-T180 WeakPolarHBondContact O-CB 3.44Å; M1-T180 WeakPolarHBondContact O-CG2 3.38Å | |||
| 2 | V | 41.1 | Very low | 62.5 | Low | 45 Ų | 45 | 70.8 Ų | 70.8 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | trans | -55.4 | 135.6 | -178.5 | -176.7 | 0 | 0 | 0 | 0 | 112.3 | K7 | V2-K7 HydrophobicContact CB-CG 4.14Å; V2-K7 HydrophobicContact CG1-CG 3.88Å; V2-K7 WeakPolarHBondContact O-CE 3.07Å | ||
| 3 | T | 57.7 | Low | 63.5 | Low | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | trans | -61.2 | 158.2 | 177.8 | 66.1 | 0 | 0 | 0 | 0 | 112.6 | L5 S6 K7 A179 A181 L572 | T3-L5 VanDerWaalsContact C-N 3.27Å; T3-L5 PolarHBondContact O-N 3.5Å; T3-S6 PolarHBondContact O-N 3.31Å; T3-S6 VanDerWaalsContact OG1-CB 3.24Å; T3-S6 WeakPolarHBondContact OG1-CB 3.29Å; T3-S6 PolarHBondContact OG1-N 2.69Å; T3-S6 PolarHBondContact OG1-OG 3.28Å; T3-K7 WeakPolarHBondContact O-CB 3.22Å; T3-K7 WeakPolarHBondContact O-CG 3.26Å; T3-K7 PolarHBondContact O-N 2.85Å; T3-A179 HydrophobicContact CG2-CB 3.95Å; T3-A179 PolarHBondContact N-O 2.67Å; T3-A181 WeakPolarHBondContact CA-O 3.38Å; T3-A181 WeakPolarHBondContact CB-O 3.3Å; T3-A181 HydrophobicContact CG2-CB 3.85Å; T3-L572 HydrophobicContact CG2-CD2 3.69Å | ||
| 4 | T | 63.9 | Low | 64.4 | Low | 33 Ų | 33 | 65.6 Ų | 65.6 | 20% | 0.202 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.5 | -36.1 | 174.5 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | K7 R8 A181 L183 F185 | T4-K7 PolarHBondContact O-N 2.98Å; T4-R8 WeakPolarHBondContact O-CB 3.25Å; T4-R8 PolarHBondContact O-N 3.46Å; T4-A181 PolarHBondContact N-O 3.08Å; T4-L183 WeakPolarHBondContact CB-O 3.4Å; T4-L183 PolarHBondContact OG1-O 2.88Å; T4-F185 HydrophobicContact CG2-CB 3.94Å |
| 5 | L | 64.9 | Low | 65.4 | Low | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.8 | -49.4 | 170.3 | -167.5 | 59.8 | 0 | 0 | 0 | 112.1 | T3 K7 R8 R9 F185 E187 L190 W191 L194 L572 | T3-L5 VanDerWaalsContact C-N 3.27Å; T3-L5 PolarHBondContact O-N 3.5Å; L5-K7 VanDerWaalsContact C-N 3.34Å; L5-K7 PolarHBondContact O-N 3.49Å; L5-R8 PolarHBondContact O-N 3.19Å; L5-R9 WeakPolarHBondContact O-CB 3.38Å; L5-R9 PolarHBondContact O-N 3.34Å; L5-F185 HydrophobicContact CD1-CE2 4.16Å; L5-E187 WeakPolarHBondContact CB-OE2 3.39Å; L5-E187 HydrophobicContact CD1-CB 4.47Å; L5-E187 HydrophobicContact CD2-CB 4.44Å; L5-L190 HydrophobicContact CD2-CB 4.01Å; L5-L190 HydrophobicContact CD2-CD1 4.48Å; L5-W191 HydrophobicContact CD1-CB 3.86Å; L5-W191 HydrophobicContact CD1-CE3 3.88Å; L5-L194 HydrophobicContact CD1-CD1 3.87Å; L5-L194 HydrophobicContact CD2-CD1 3.58Å; L5-L194 HydrophobicContact CG-CD1 3.58Å; L5-L572 HydrophobicContact CD2-CD1 4.11Å |
| 6 | S | 65.6 | Low | 66.3 | Low | 15 Ų | 15 | 63.4 Ų | 63.4 | 11% | 0.105 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.1 | -34.2 | 177.8 | -64.4 | 0 | 0 | 0 | 0 | 112.4 | T3 R10 | T3-S6 PolarHBondContact O-N 3.31Å; T3-S6 VanDerWaalsContact OG1-CB 3.24Å; T3-S6 WeakPolarHBondContact OG1-CB 3.29Å; T3-S6 PolarHBondContact OG1-N 2.69Å; T3-S6 PolarHBondContact OG1-OG 3.28Å; S6-R10 VanDerWaalsContact O-CB 3.31Å; S6-R10 WeakPolarHBondContact O-CB 3.22Å; S6-R10 PolarHBondContact O-N 2.83Å |
| 7 | K | 65.7 | Low | 67.4 | Low | 115 Ų | 115 | 59.8 Ų | 59.8 | 50% | 0.5 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 172 | -73.7 | 176.8 | -175.3 | 176.4 | 0 | 111.3 | V2 T3 T4 L5 R10 Y11 | V2-K7 HydrophobicContact CB-CG 4.14Å; V2-K7 HydrophobicContact CG1-CG 3.88Å; V2-K7 WeakPolarHBondContact O-CE 3.07Å; T3-K7 WeakPolarHBondContact O-CB 3.22Å; T3-K7 WeakPolarHBondContact O-CG 3.26Å; T3-K7 PolarHBondContact O-N 2.85Å; T4-K7 PolarHBondContact O-N 2.98Å; L5-K7 VanDerWaalsContact C-N 3.34Å; L5-K7 PolarHBondContact O-N 3.49Å; K7-R10 PolarHBondContact O-N 3.43Å; K7-Y11 VanDerWaalsContact O-CB 3.31Å; K7-Y11 WeakPolarHBondContact O-CB 3.45Å; K7-Y11 PolarHBondContact O-N 2.86Å |
| 8 | R | 67.7 | Low | 68.5 | Low | 67 Ų | 67 | 59.4 Ų | 59.4 | 25% | 0.253 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 178.2 | -166.2 | 178.2 | 175.3 | 147.6 | 3.7 | 110.8 | T4 L5 Y11 L12 F185 W191 E455 | T4-R8 WeakPolarHBondContact O-CB 3.25Å; T4-R8 PolarHBondContact O-N 3.46Å; L5-R8 PolarHBondContact O-N 3.19Å; R8-Y11 PolarHBondContact O-N 2.92Å; R8-L12 WeakPolarHBondContact O-CB 3.3Å; R8-L12 PolarHBondContact O-N 2.71Å; R8-F185 VanDerWaalsContact NH1-CZ 3.29Å; R8-W191 HydrophobicContact CB-CE3 4.4Å; R8-W191 HydrophobicContact CB-CH2 4.38Å; R8-W191 HydrophobicContact CB-CZ3 3.98Å; R8-W191 HydrophobicContact CG-CD2 4.49Å; R8-W191 HydrophobicContact CG-CE3 4.12Å; R8-W191 HydrophobicContact CG-CH2 3.65Å; R8-W191 HydrophobicContact CG-CZ2 4.06Å; R8-W191 HydrophobicContact CG-CZ3 3.68Å; R8-E455 IonicContact CZ-OE2 2.92Å; R8-E455 VanDerWaalsContact CZ-OE2 3.23Å; R8-E455 IonicContact NH1-OE2 2.8Å; R8-E455 PolarHBondContact NH1-OE2 3.37Å; R8-E455 IonicContact NH2-OE2 3.24Å; R8-E455 PolarHBondContact NH2-OE2 2.76Å |
| 9 | R | 71.5 | Confident | 69.4 | Low | 29 Ų | 29 | 57.9 Ų | 57.9 | 11% | 0.109 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.8 | -52.5 | 172.4 | 177.4 | 174.2 | 158.4 | -149 | -14.5 | 111.6 | L5 Y11 L12 H13 Q172 W191 | L5-R9 WeakPolarHBondContact O-CB 3.38Å; L5-R9 PolarHBondContact O-N 3.34Å; R9-Y11 VanDerWaalsContact C-N 3.3Å; R9-Y11 PolarHBondContact O-N 2.93Å; R9-L12 PolarHBondContact O-N 2.64Å; R9-H13 PolarHBondContact O-CD2 3.15Å; R9-H13 PolarHBondContact O-N 3.26Å; R9-Q172 VanDerWaalsContact NH2-NE2 3.12Å; R9-W191 HydrophobicContact CB-CZ3 4.37Å |
| 10 | R | 72.1 | Confident | 70.4 | Confident | 160 Ų | 160 | 55.2 Ų | 55.2 | 60% | 0.604 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -60.3 | -41 | 178.3 | -174.4 | 179.2 | -68.4 | 168.9 | -2.2 | 112 | S6 K7 T14 | S6-R10 VanDerWaalsContact O-CB 3.31Å; S6-R10 WeakPolarHBondContact O-CB 3.22Å; S6-R10 PolarHBondContact O-N 2.83Å; K7-R10 PolarHBondContact O-N 3.43Å; R10-T14 WeakPolarHBondContact O-CB 2.89Å; R10-T14 PolarHBondContact O-N 2.96Å; R10-T14 PolarHBondContact O-OG1 3.02Å |
| 11 | Y | 72.1 | Confident | 71.4 | Confident | 148 Ų | 148 | 52.5 Ų | 52.5 | 58% | 0.58 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -60.2 | -49.8 | 175 | 174.6 | -95.5 | 0 | 0 | 0 | 111.1 | K7 R8 R9 H13 T14 K15 | K7-Y11 VanDerWaalsContact O-CB 3.31Å; K7-Y11 WeakPolarHBondContact O-CB 3.45Å; K7-Y11 PolarHBondContact O-N 2.86Å; R8-Y11 PolarHBondContact O-N 2.92Å; R9-Y11 VanDerWaalsContact C-N 3.3Å; R9-Y11 PolarHBondContact O-N 2.93Å; Y11-H13 PolarHBondContact O-N 2.86Å; Y11-T14 PolarHBondContact O-N 2.85Å; Y11-K15 HydrophobicContact CE1-CB 4.31Å; Y11-K15 HydrophobicContact CE1-CG 4.41Å; Y11-K15 WeakPolarHBondContact O-CB 3.21Å; Y11-K15 PolarHBondContact O-N 2.83Å |
| 12 | L | 73.3 | Confident | 74.2 | Confident | 57 Ų | 57 | 46.8 Ų | 46.8 | 30% | 0.298 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.5 | -49 | 178.7 | -177.5 | 67.9 | 0 | 0 | 0 | 111.3 | R8 R9 T14 K15 V16 W191 | R8-L12 WeakPolarHBondContact O-CB 3.3Å; R8-L12 PolarHBondContact O-N 2.71Å; R9-L12 PolarHBondContact O-N 2.64Å; L12-T14 VanDerWaalsContact C-N 3.35Å; L12-T14 PolarHBondContact O-N 3.44Å; L12-K15 PolarHBondContact O-N 2.81Å; L12-V16 HydrophobicContact CD1-CG2 4.1Å; L12-V16 HydrophobicContact CG-CG2 4.4Å; L12-V16 WeakPolarHBondContact O-CG2 3.2Å; L12-V16 PolarHBondContact O-N 2.74Å; L12-W191 HydrophobicContact CB-CH2 4.08Å; L12-W191 HydrophobicContact CD2-CH2 3.7Å; L12-W191 HydrophobicContact CD2-CZ2 4.1Å; L12-W191 HydrophobicContact CG-CH2 4.46Å |
| 13 | H | 75.6 | Confident | 76.6 | Confident | 21 Ų | 21 | 45.8 Ų | 45.8 | 10% | 0.097 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.5 | -49.7 | 178.3 | -73 | -146 | 0 | 0 | 0 | 111 | R9 Y11 K15 I17 Q170 | R9-H13 PolarHBondContact O-CD2 3.15Å; R9-H13 PolarHBondContact O-N 3.26Å; Y11-H13 PolarHBondContact O-N 2.86Å; H13-K15 VanDerWaalsContact C-N 3.35Å; H13-K15 PolarHBondContact O-N 3.02Å; H13-I17 WeakPolarHBondContact O-CG1 3.43Å; H13-I17 PolarHBondContact O-N 3.21Å; H13-Q170 PolarHBondContact ND1-NE2 3.33Å |
| 14 | T | 76.9 | Confident | 78.3 | Confident | 48 Ų | 48 | 45.7 Ų | 45.7 | 29% | 0.294 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64 | -41.5 | 179.6 | -50.4 | 0 | 0 | 0 | 0 | 111.4 | R10 Y11 L12 Y18 | R10-T14 WeakPolarHBondContact O-CB 2.89Å; R10-T14 PolarHBondContact O-N 2.96Å; R10-T14 PolarHBondContact O-OG1 3.02Å; Y11-T14 PolarHBondContact O-N 2.85Å; L12-T14 VanDerWaalsContact C-N 3.35Å; L12-T14 PolarHBondContact O-N 3.44Å; T14-Y18 VanDerWaalsContact O-CB 3.23Å; T14-Y18 WeakPolarHBondContact O-CB 3.44Å; T14-Y18 PolarHBondContact O-N 3.03Å |
| 15 | K | 78.3 | Confident | 79.7 | Confident | 73 Ų | 73 | 44.5 Ų | 44.5 | 32% | 0.317 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67.3 | -45.3 | -176.3 | -174.5 | 63.4 | 166.8 | 77.3 | 0 | 112.1 | Y11 L12 H13 Y18 D19 | Y11-K15 HydrophobicContact CE1-CB 4.31Å; Y11-K15 HydrophobicContact CE1-CG 4.41Å; Y11-K15 WeakPolarHBondContact O-CB 3.21Å; Y11-K15 PolarHBondContact O-N 2.83Å; L12-K15 PolarHBondContact O-N 2.81Å; H13-K15 VanDerWaalsContact C-N 3.35Å; H13-K15 PolarHBondContact O-N 3.02Å; K15-Y18 PolarHBondContact O-N 2.83Å; K15-D19 IonicContact NZ-OD1 3.73Å; K15-D19 PolarHBondContact NZ-OD1 3.31Å; K15-D19 IonicContact NZ-OD2 2.73Å; K15-D19 PolarHBondContact NZ-OD2 3.02Å; K15-D19 WeakPolarHBondContact O-CB 3.34Å; K15-D19 VanDerWaalsContact O-CG 3.32Å; K15-D19 PolarHBondContact O-N 2.72Å |
| 16 | V | 80.3 | Confident | 81 | Confident | 23 Ų | 23 | 50 Ų | 50 | 14% | 0.139 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.5 | -47.7 | 179.4 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | L12 Y18 D19 A20 F200 | L12-V16 HydrophobicContact CD1-CG2 4.1Å; L12-V16 HydrophobicContact CG-CG2 4.4Å; L12-V16 WeakPolarHBondContact O-CG2 3.2Å; L12-V16 PolarHBondContact O-N 2.74Å; V16-Y18 PolarHBondContact O-N 3.18Å; V16-D19 PolarHBondContact O-N 3.12Å; V16-A20 WeakPolarHBondContact O-CB 3.29Å; V16-A20 PolarHBondContact O-N 3.18Å; V16-F200 HydrophobicContact CB-CD1 4.45Å; V16-F200 HydrophobicContact CB-CE1 3.9Å; V16-F200 HydrophobicContact CB-CE2 4.49Å; V16-F200 HydrophobicContact CB-CZ 3.92Å; V16-F200 HydrophobicContact CG1-CD1 3.63Å; V16-F200 HydrophobicContact CG1-CD2 4.33Å; V16-F200 HydrophobicContact CG1-CE1 3.58Å; V16-F200 HydrophobicContact CG1-CE2 4.3Å; V16-F200 HydrophobicContact CG1-CG 4.01Å; V16-F200 HydrophobicContact CG1-CZ 3.93Å; V16-F200 HydrophobicContact CG2-CE2 4.27Å; V16-F200 HydrophobicContact CG2-CZ 4.09Å |
| 17 | I | 85.1 | Confident | 82.3 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.5 | -46 | 177.5 | -66.4 | -64.2 | 0 | 0 | 0 | 111.4 | H13 D19 A20 A21 I41 L44 L138 V168 | H13-I17 WeakPolarHBondContact O-CG1 3.43Å; H13-I17 PolarHBondContact O-N 3.21Å; I17-D19 PolarHBondContact O-N 3.32Å; I17-A20 PolarHBondContact O-N 2.96Å; I17-A21 WeakPolarHBondContact O-CB 3.47Å; I17-A21 PolarHBondContact O-N 2.99Å; I17-I41 HydrophobicContact CD1-CD1 4.37Å; I17-I41 HydrophobicContact CG1-CD1 4.25Å; I17-I41 HydrophobicContact CG2-CD1 3.91Å; I17-I41 HydrophobicContact CG2-CG1 4.46Å; I17-I41 HydrophobicContact CG2-CG2 3.81Å; I17-L44 HydrophobicContact CG2-CD2 4Å; I17-L138 HydrophobicContact CG2-CD1 3.82Å; I17-V168 HydrophobicContact CD1-CG1 3.96Å |
| 18 | Y | 87 | Confident | 83.5 | Confident | 53 Ų | 53 | 44.9 Ų | 44.9 | 21% | 0.208 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61 | -44.8 | 177.5 | 176.6 | -90.3 | 0 | 0 | 0 | 112 | T14 K15 V16 A21 K22 L44 Q47 L48 W52 | T14-Y18 VanDerWaalsContact O-CB 3.23Å; T14-Y18 WeakPolarHBondContact O-CB 3.44Å; T14-Y18 PolarHBondContact O-N 3.03Å; K15-Y18 PolarHBondContact O-N 2.83Å; V16-Y18 PolarHBondContact O-N 3.18Å; Y18-A21 PolarHBondContact O-N 3.01Å; Y18-K22 HydrophobicContact CE1-CD 4.07Å; Y18-K22 WeakPolarHBondContact O-CB 3.4Å; Y18-K22 PolarHBondContact O-N 3.1Å; Y18-L44 HydrophobicContact CD2-CD1 4.05Å; Y18-Q47 HydrophobicContact CD2-CB 4.18Å; Y18-Q47 HydrophobicContact CE2-CB 3.94Å; Y18-L48 HydrophobicContact CD2-CD2 4.02Å; Y18-L48 HydrophobicContact CE2-CD2 3.85Å; Y18-W52 HydrophobicContact CE2-CZ3 4.15Å; Y18-W52 AromaticContact CZ-CH2 3.99Å; Y18-W52 AromaticContact CZ-CZ3 3.75Å; Y18-W52 VanDerWaalsContact OH-CH2 3.29Å; Y18-W52 WeakPolarHBondContact OH-CH2 3.2Å; Y18-W52 WeakPolarHBondContact OH-CZ3 3.41Å |
| 19 | D | 86.5 | Confident | 84.5 | Confident | 31 Ų | 31 | 49.7 Ų | 49.7 | 17% | 0.166 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.8 | -41.2 | 179 | -76 | -19.1 | 0 | 0 | 0 | 111.9 | K15 V16 I17 K22 L23 F217 | K15-D19 IonicContact NZ-OD1 3.73Å; K15-D19 PolarHBondContact NZ-OD1 3.31Å; K15-D19 IonicContact NZ-OD2 2.73Å; K15-D19 PolarHBondContact NZ-OD2 3.02Å; K15-D19 WeakPolarHBondContact O-CB 3.34Å; K15-D19 VanDerWaalsContact O-CG 3.32Å; K15-D19 PolarHBondContact O-N 2.72Å; V16-D19 PolarHBondContact O-N 3.12Å; I17-D19 PolarHBondContact O-N 3.32Å; D19-K22 PolarHBondContact O-N 2.96Å; D19-L23 WeakPolarHBondContact O-CB 3.47Å; D19-L23 WeakPolarHBondContact O-CD1 3.12Å; D19-L23 PolarHBondContact O-N 3.35Å; D19-F217 HydrophobicContact CB-CZ 4.04Å |
| 20 | A | 88.4 | Confident | 85.5 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 3% | 0.025 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60 | -48.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V16 I17 K22 L23 F24 V168 Y209 | V16-A20 WeakPolarHBondContact O-CB 3.29Å; V16-A20 PolarHBondContact O-N 3.18Å; I17-A20 PolarHBondContact O-N 2.96Å; A20-K22 PolarHBondContact O-N 2.78Å; A20-L23 WeakPolarHBondContact O-CB 3.44Å; A20-L23 PolarHBondContact O-N 2.89Å; A20-F24 PolarHBondContact O-N 3.09Å; A20-V168 HydrophobicContact CB-CG2 4.2Å; A20-Y209 WeakPolarHBondContact O-CE2 3.43Å; A20-Y209 PolarHBondContact O-OH 3.46Å |
| 21 | A | 91.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.7 | -43.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | I17 Y18 L23 F24 L25 L48 L136 | I17-A21 WeakPolarHBondContact O-CB 3.47Å; I17-A21 PolarHBondContact O-N 2.99Å; Y18-A21 PolarHBondContact O-N 3.01Å; A21-L23 VanDerWaalsContact C-N 3.35Å; A21-L23 PolarHBondContact O-N 3.34Å; A21-F24 WeakPolarHBondContact O-CB 3.43Å; A21-F24 PolarHBondContact O-N 2.67Å; A21-L25 WeakPolarHBondContact O-CG 3.47Å; A21-L25 PolarHBondContact O-N 3.14Å; A21-L48 HydrophobicContact CB-CD1 4Å; A21-L48 HydrophobicContact CB-CD2 4.33Å; A21-L136 HydrophobicContact CB-CD2 3.98Å |
| 22 | K | 92.1 | Very high | 87.8 | Confident | 57 Ų | 57 | 40.5 Ų | 40.5 | 25% | 0.248 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61 | -41.6 | 175.2 | 173 | -178.2 | 175.2 | -170.3 | 0 | 112.1 | Y18 D19 A20 K26 W52 | Y18-K22 HydrophobicContact CE1-CD 4.07Å; Y18-K22 WeakPolarHBondContact O-CB 3.4Å; Y18-K22 PolarHBondContact O-N 3.1Å; D19-K22 PolarHBondContact O-N 2.96Å; A20-K22 PolarHBondContact O-N 2.78Å; K22-K26 WeakPolarHBondContact O-CG 3.23Å; K22-K26 PolarHBondContact O-N 2.92Å; K22-K26 VanDerWaalsContact O-N 3.15Å; K22-W52 HydrophobicContact CB-CH2 4.36Å; K22-W52 HydrophobicContact CD-CH2 3.78Å; K22-W52 HydrophobicContact CD-CZ2 3.97Å; K22-W52 HydrophobicContact CG-CH2 3.8Å; K22-W52 HydrophobicContact CG-CZ2 3.69Å |
| 23 | L | 91.8 | Very high | 88.9 | Confident | 24 Ų | 24 | 37.8 Ų | 37.8 | 13% | 0.126 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.5 | -47.1 | 174.4 | -90.3 | 149.2 | 0 | 0 | 0 | 110.3 | D19 A20 A21 L25 K26 C27 Y209 K212 L213 T216 F217 | D19-L23 WeakPolarHBondContact O-CB 3.47Å; D19-L23 WeakPolarHBondContact O-CD1 3.12Å; D19-L23 PolarHBondContact O-N 3.35Å; A20-L23 WeakPolarHBondContact O-CB 3.44Å; A20-L23 PolarHBondContact O-N 2.89Å; A21-L23 VanDerWaalsContact C-N 3.35Å; A21-L23 PolarHBondContact O-N 3.34Å; L23-L25 PolarHBondContact O-N 2.72Å; L23-K26 CarbonylContact O-C 3.57Å; L23-K26 PolarHBondContact O-N 3.27Å; L23-K26 VanDerWaalsContact O-N 3.08Å; L23-C27 PolarHBondContact O-N 2.85Å; L23-C27 PolarHBondContact O-SG 2.91Å; L23-Y209 HydrophobicContact CB-CD2 4.37Å; L23-Y209 HydrophobicContact CB-CE2 3.85Å; L23-K212 HydrophobicContact CD2-CB 3.83Å; L23-L213 HydrophobicContact CD1-CD2 4.25Å; L23-T216 HydrophobicContact CD1-CG2 3.99Å; L23-F217 HydrophobicContact CD1-CE2 3.82Å; L23-F217 HydrophobicContact CD1-CZ 4.38Å |
| 24 | F | 94 | Very high | 89.8 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.1 | -47.6 | 179.3 | -169.3 | -104.2 | 0 | 0 | 0 | 111.9 | A20 A21 K26 C27 S28 V32 P134 L136 A166 F206 Y209 | A20-F24 PolarHBondContact O-N 3.09Å; A21-F24 WeakPolarHBondContact O-CB 3.43Å; A21-F24 PolarHBondContact O-N 2.67Å; F24-K26 VanDerWaalsContact C-N 3.26Å; F24-K26 PolarHBondContact O-N 2.81Å; F24-C27 WeakPolarHBondContact O-CB 3Å; F24-C27 PolarHBondContact O-N 2.86Å; F24-S28 PolarHBondContact O-N 2.81Å; F24-V32 HydrophobicContact CD1-CB 4.21Å; F24-V32 HydrophobicContact CD1-CG1 4.3Å; F24-V32 HydrophobicContact CD1-CG2 4.08Å; F24-V32 HydrophobicContact CE1-CB 3.8Å; F24-V32 HydrophobicContact CE1-CG1 4.01Å; F24-V32 HydrophobicContact CE1-CG2 4.14Å; F24-P134 HydrophobicContact CE1-CB 4.35Å; F24-P134 HydrophobicContact CZ-CB 3.95Å; F24-L136 HydrophobicContact CB-CD2 3.94Å; F24-L136 HydrophobicContact CD1-CB 3.6Å; F24-L136 HydrophobicContact CD1-CD2 4.25Å; F24-L136 HydrophobicContact CD1-CG 4.48Å; F24-L136 HydrophobicContact CD2-CB 4.28Å; F24-L136 HydrophobicContact CD2-CD1 4.47Å; F24-L136 HydrophobicContact CE1-CB 3.62Å; F24-L136 HydrophobicContact CE2-CB 4.33Å; F24-L136 HydrophobicContact CG-CB 3.93Å; F24-L136 HydrophobicContact CG-CD2 4.13Å; F24-L136 HydrophobicContact CG-CG 4.44Å; F24-L136 HydrophobicContact CZ-CB 4.02Å; F24-A166 HydrophobicContact CD2-CB 3.93Å; F24-A166 HydrophobicContact CE2-CB 3.64Å; F24-F206 HydrophobicContact CD2-CD1 4.42Å; F24-F206 AromaticContact CE2-CD1 3.9Å; F24-F206 HydrophobicContact CE2-CD1 3.9Å; F24-Y209 HydrophobicContact CB-CD2 3.92Å; F24-Y209 HydrophobicContact CB-CE2 3.57Å; F24-Y209 AromaticContact CD2-CD1 3.82Å; F24-Y209 HydrophobicContact CD2-CD1 3.82Å; F24-Y209 AromaticContact CD2-CD2 3.8Å; F24-Y209 HydrophobicContact CD2-CD2 3.8Å; F24-Y209 HydrophobicContact CD2-CE1 4.01Å; F24-Y209 HydrophobicContact CD2-CE2 4Å; F24-Y209 AromaticContact CD2-CG 3.69Å; F24-Y209 HydrophobicContact CD2-CG 3.69Å; F24-Y209 HydrophobicContact CE2-CD1 4.39Å; F24-Y209 HydrophobicContact CE2-CG 4.43Å; F24-Y209 HydrophobicContact CG-CD2 4.36Å; F24-Y209 HydrophobicContact CG-CE2 4.31Å; F24-Y209 VanDerWaalsContact N-CE2 3.3Å |
| 25 | L | 94.1 | Very high | 90.6 | Very high | 9 Ų | 9 | 34.5 Ų | 34.5 | 5% | 0.047 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.6 | -39 | 175.1 | -74.2 | 161.7 | 0 | 0 | 0 | 112.5 | A21 L23 C27 V32 I34 L48 W52 A55 I56 | A21-L25 WeakPolarHBondContact O-CG 3.47Å; A21-L25 PolarHBondContact O-N 3.14Å; L23-L25 PolarHBondContact O-N 2.72Å; L25-C27 VanDerWaalsContact C-N 3.29Å; L25-C27 PolarHBondContact O-N 2.85Å; L25-V32 HydrophobicContact CD2-CG2 3.42Å; L25-V32 VanDerWaalsContact CD2-CG2 3.42Å; L25-V32 HydrophobicContact CG-CG2 4.28Å; L25-I34 HydrophobicContact CD1-CD1 4.47Å; L25-L48 HydrophobicContact CD1-CD1 4.39Å; L25-L48 HydrophobicContact CD1-CD2 3.95Å; L25-W52 HydrophobicContact CD1-CB 3.83Å; L25-W52 HydrophobicContact CD1-CD2 4.17Å; L25-W52 HydrophobicContact CD1-CE3 4.36Å; L25-W52 HydrophobicContact CD1-CG 3.93Å; L25-W52 HydrophobicContact CD2-CB 4.37Å; L25-A55 HydrophobicContact CD2-CB 3.87Å; L25-I56 HydrophobicContact CD2-CG1 3.74Å |
| 26 | K | 92.5 | Very high | 91.2 | Very high | 117 Ų | 117 | 31.1 Ų | 31.1 | 51% | 0.509 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -8.7 | 176.7 | -71.7 | 179.7 | 173.5 | -164.8 | 0 | 114.3 | K22 L23 F24 K212 | K22-K26 WeakPolarHBondContact O-CG 3.23Å; K22-K26 PolarHBondContact O-N 2.92Å; K22-K26 VanDerWaalsContact O-N 3.15Å; L23-K26 CarbonylContact O-C 3.57Å; L23-K26 PolarHBondContact O-N 3.27Å; L23-K26 VanDerWaalsContact O-N 3.08Å; F24-K26 VanDerWaalsContact C-N 3.26Å; F24-K26 PolarHBondContact O-N 2.81Å; K26-K212 PolarHBondContact O-NZ 2.84Å |
| 27 | C | 91.4 | Very high | 91.4 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.02 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -23.6 | 178.4 | -67.2 | 0 | 0 | 0 | 0 | 112.4 | L23 F24 L25 F206 L208 K212 | L23-C27 PolarHBondContact O-N 2.85Å; L23-C27 PolarHBondContact O-SG 2.91Å; F24-C27 WeakPolarHBondContact O-CB 3Å; F24-C27 PolarHBondContact O-N 2.86Å; L25-C27 VanDerWaalsContact C-N 3.29Å; L25-C27 PolarHBondContact O-N 2.85Å; C27-F206 HydrophobicContact CB-CD1 4.41Å; C27-F206 HydrophobicContact CB-CE1 3.55Å; C27-F206 HydrophobicContact CB-CZ 4.05Å; C27-F206 WeakPolarHBondContact O-CZ 3.42Å; C27-L208 HydrophobicContact CB-CD2 3.98Å; C27-L208 WeakPolarHBondContact O-CD2 3.5Å; C27-K212 WeakPolarHBondContact SG-CD 3.37Å |
| 28 | S | 90.6 | Very high | 90.6 | Very high | 18 Ų | 18 | 30.9 Ų | 30.9 | 13% | 0.126 | 16% | 0.162 | C | C | . | . | trans | -97 | 135.4 | -177.4 | -171.5 | 0 | 0 | 0 | 0 | 111.4 | F24 V30 | F24-S28 PolarHBondContact O-N 2.81Å; S28-V30 VanDerWaalsContact C-N 3.28Å; S28-V30 WeakPolarHBondContact CB-O 3.05Å; S28-V30 VanDerWaalsContact OG-CG2 3.28Å; S28-V30 WeakPolarHBondContact OG-CG2 3.31Å; S28-V30 PolarHBondContact OG-N 3.19Å; S28-V30 VanDerWaalsContact OG-N 3.15Å; S28-V30 PolarHBondContact OG-O 2.69Å | ||
| 29 | N | 89.7 | Confident | 89.1 | Confident | 169 Ų | 169 | 29.5 Ų | 29.5 | 90% | 0.904 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -86.8 | -3.1 | 168.8 | -64.9 | -15.2 | 0 | 0 | 0 | 112.1 | ||
| 30 | V | 93.2 | Very high | 87.7 | Confident | 82 Ų | 82 | 30.1 Ų | 30.1 | 50% | 0.497 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -120.6 | 155.2 | 176.8 | -62.7 | 0 | 0 | 0 | 0 | 110.2 | S28 V32 P134 | S28-V30 VanDerWaalsContact C-N 3.28Å; S28-V30 WeakPolarHBondContact CB-O 3.05Å; S28-V30 VanDerWaalsContact OG-CG2 3.28Å; S28-V30 WeakPolarHBondContact OG-CG2 3.31Å; S28-V30 PolarHBondContact OG-N 3.19Å; S28-V30 VanDerWaalsContact OG-N 3.15Å; S28-V30 PolarHBondContact OG-O 2.69Å; V30-V32 WeakPolarHBondContact O-CG1 3.45Å; V30-P134 HydrophobicContact CG2-CG 3.95Å |
| 31 | P | 95 | Very high | 86.6 | Confident | 61 Ų | 61 | 30.7 Ų | 30.7 | 40% | 0.396 | 17% | 0.171 | S | C | . | . | trans | -52.8 | 141.3 | 171.8 | -28.6 | 38 | 0 | 0 | 0 | 112.3 | A55 F57 V133 | P31-A55 CarbonylContact C-O 3.59Å; P31-A55 VanDerWaalsContact CA-O 3.24Å; P31-A55 WeakPolarHBondContact CA-O 3.26Å; P31-F57 HydrophobicContact CB-CB 3.77Å; P31-V133 VanDerWaalsContact O-CG1 3.3Å; P31-V133 WeakPolarHBondContact O-CG1 3.35Å | ||
| 32 | V | 96.5 | Very high | 85.3 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 162.8 | -173 | -53.9 | 0 | 0 | 0 | 0 | 112.8 | F24 L25 V30 I34 A55 I56 F57 R58 P134 | F24-V32 HydrophobicContact CD1-CB 4.21Å; F24-V32 HydrophobicContact CD1-CG1 4.3Å; F24-V32 HydrophobicContact CD1-CG2 4.08Å; F24-V32 HydrophobicContact CE1-CB 3.8Å; F24-V32 HydrophobicContact CE1-CG1 4.01Å; F24-V32 HydrophobicContact CE1-CG2 4.14Å; L25-V32 HydrophobicContact CD2-CG2 3.42Å; L25-V32 VanDerWaalsContact CD2-CG2 3.42Å; L25-V32 HydrophobicContact CG-CG2 4.28Å; V30-V32 WeakPolarHBondContact O-CG1 3.45Å; V32-I34 HydrophobicContact CG2-CG1 4.29Å; V32-A55 PolarHBondContact N-O 3.09Å; V32-I56 CarbonylContact O-C 3.51Å; V32-F57 WeakPolarHBondContact O-CB 3.21Å; V32-F57 PolarHBondContact O-N 3.16Å; V32-R58 PolarHBondContact O-N 3.09Å; V32-P134 WeakPolarHBondContact CA-O 3.31Å; V32-P134 WeakPolarHBondContact CB-O 3.44Å; V32-P134 HydrophobicContact CG1-CB 4.19Å |
| 33 | Q | 96.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 140 | 171 | -67.7 | 173.3 | -9.3 | 0 | 0 | 110.1 | F57 R58 L129 S130 V133 P134 T135 L136 | Q33-F57 HydrophobicContact CG-CD1 3.85Å; Q33-R58 CarbonylContact C-O 3.49Å; Q33-R58 VanDerWaalsContact CA-O 3.28Å; Q33-R58 WeakPolarHBondContact CA-O 3.37Å; Q33-R58 HydrophobicContact CG-CB 3.98Å; Q33-L129 HydrophobicContact CB-CD2 4.14Å; Q33-L129 HydrophobicContact CG-CD2 3.97Å; Q33-S130 PolarHBondContact OE1-O 2.84Å; Q33-V133 HydrophobicContact CG-CB 4.15Å; Q33-V133 HydrophobicContact CG-CG1 3.7Å; Q33-P134 PolarHBondContact N-O 2.88Å; Q33-T135 HydrophobicContact CB-CG2 3.85Å; Q33-T135 CarbonylContact O-C 3.5Å; Q33-T135 WeakPolarHBondContact O-CA 3.4Å; Q33-T135 PolarHBondContact OE1-OG1 3.16Å; Q33-T135 VanDerWaalsContact OE1-OG1 3.05Å; Q33-L136 PolarHBondContact O-N 2.96Å |
| 34 | I | 95.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 126.1 | 173.7 | -56.7 | 178.2 | 0 | 0 | 0 | 108.1 | L25 V32 V36 L48 I56 R58 F59 V60 L136 L138 | L25-I34 HydrophobicContact CD1-CD1 4.47Å; V32-I34 HydrophobicContact CG2-CG1 4.29Å; I34-V36 HydrophobicContact CG2-CG2 4.25Å; I34-L48 HydrophobicContact CD1-CD1 3.81Å; I34-I56 HydrophobicContact CD1-CG1 4.43Å; I34-R58 PolarHBondContact N-O 2.86Å; I34-F59 HydrophobicContact CB-CD2 3.78Å; I34-F59 HydrophobicContact CB-CE2 4.09Å; I34-F59 HydrophobicContact CD1-CD2 4.34Å; I34-F59 HydrophobicContact CG2-CD2 3.95Å; I34-F59 HydrophobicContact CG2-CE2 3.71Å; I34-F59 HydrophobicContact CG2-CZ 4.46Å; I34-F59 CarbonylContact O-C 3.52Å; I34-F59 VanDerWaalsContact O-CA 3.29Å; I34-F59 WeakPolarHBondContact O-CA 3.09Å; I34-V60 PolarHBondContact O-N 3.11Å; I34-L136 CarbonylContact C-O 3.56Å; I34-L136 WeakPolarHBondContact CA-O 3.26Å; I34-L136 HydrophobicContact CG1-CB 4.48Å; I34-L138 HydrophobicContact CG2-CD1 4.08Å |
| 35 | V | 93.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 118.6 | 179.2 | -172.5 | 0 | 0 | 0 | 0 | 107.9 | I37 V60 V62 L123 L129 T135 L136 F137 L138 | V35-I37 HydrophobicContact CG1-CD1 4.05Å; V35-I37 HydrophobicContact CG1-CG1 3.96Å; V35-V60 CarbonylContact C-O 3.6Å; V35-V60 WeakPolarHBondContact CA-O 3.49Å; V35-V60 HydrophobicContact CG1-CB 4.33Å; V35-V60 HydrophobicContact CG2-CB 4.41Å; V35-V62 HydrophobicContact CG1-CG2 4.35Å; V35-L123 HydrophobicContact CG1-CD2 3.98Å; V35-L129 HydrophobicContact CG2-CD1 3.5Å; V35-T135 HydrophobicContact CG2-CG2 3.89Å; V35-L136 PolarHBondContact N-O 3.03Å; V35-F137 HydrophobicContact CB-CD1 3.69Å; V35-F137 HydrophobicContact CB-CE1 3.85Å; V35-F137 HydrophobicContact CB-CG 4.42Å; V35-F137 HydrophobicContact CG1-CD1 3.96Å; V35-F137 HydrophobicContact CG1-CE1 4.01Å; V35-F137 HydrophobicContact CG2-CD1 4.14Å; V35-F137 HydrophobicContact CG2-CE1 3.81Å; V35-F137 HydrophobicContact CG2-CZ 4.26Å; V35-F137 CarbonylContact O-C 3.52Å; V35-F137 WeakPolarHBondContact O-CA 3.3Å; V35-L138 PolarHBondContact O-N 3.05Å |
| 36 | V | 90.6 | Very high | 83.8 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 121.4 | 178.4 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | I34 I41 L44 F59 V60 V62 L138 | I34-V36 HydrophobicContact CG2-CG2 4.25Å; V36-I41 HydrophobicContact CG1-CB 4.22Å; V36-I41 HydrophobicContact CG1-CD1 3.88Å; V36-L44 HydrophobicContact CG2-CD2 4.25Å; V36-F59 HydrophobicContact CG2-CE1 3.9Å; V36-F59 HydrophobicContact CG2-CE2 4.19Å; V36-F59 HydrophobicContact CG2-CZ 3.45Å; V36-F59 VanDerWaalsContact CG2-CZ 3.45Å; V36-V60 PolarHBondContact N-O 2.85Å; V36-V62 PolarHBondContact O-N 2.96Å; V36-L138 HydrophobicContact CG2-CB 4.3Å; V36-L138 HydrophobicContact CG2-CD1 4Å |
| 37 | I | 84.1 | Confident | 83.6 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.015 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 82.1 | -177.4 | -57.5 | 172.2 | 0 | 0 | 0 | 107.6 | V35 V62 V113 F137 L138 F139 G140 L142 | V35-I37 HydrophobicContact CG1-CD1 4.05Å; V35-I37 HydrophobicContact CG1-CG1 3.96Å; I37-V62 HydrophobicContact CB-CB 4.48Å; I37-V62 HydrophobicContact CG1-CB 4.02Å; I37-V62 HydrophobicContact CG1-CG2 4.05Å; I37-V62 HydrophobicContact CG2-CG1 4.5Å; I37-V113 HydrophobicContact CG2-CB 4.19Å; I37-V113 HydrophobicContact CG2-CG1 3.5Å; I37-V113 VanDerWaalsContact CG2-CG1 3.5Å; I37-V113 HydrophobicContact CG2-CG2 4.37Å; I37-F137 HydrophobicContact CD1-CD1 4.3Å; I37-L138 PolarHBondContact N-O 3.06Å; I37-F139 HydrophobicContact CB-CD1 3.69Å; I37-F139 HydrophobicContact CB-CE1 3.87Å; I37-F139 HydrophobicContact CD1-CD1 4.06Å; I37-F139 HydrophobicContact CD1-CE1 3.33Å; I37-F139 HydrophobicContact CD1-CZ 3.74Å; I37-F139 HydrophobicContact CG1-CD1 4.39Å; I37-F139 HydrophobicContact CG1-CE1 4.12Å; I37-F139 HydrophobicContact CG2-CD1 3.96Å; I37-F139 HydrophobicContact CG2-CE1 4.03Å; I37-G140 PolarHBondContact O-N 3.08Å; I37-L142 HydrophobicContact CG2-CD1 4.25Å |
| 38 | S | 69.2 | Low | 83.6 | Confident | 16 Ų | 16 | 34.9 Ų | 34.9 | 11% | 0.112 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 152.4 | 154 | 167.7 | 177.1 | 0 | 0 | 0 | 0 | 112.7 | S40 G140 | S38-S40 VanDerWaalsContact C-N 3.33Å; S38-S40 PolarHBondContact O-N 2.83Å; S38-G140 WeakPolarHBondContact CB-O 3.24Å; S38-G140 PolarHBondContact OG-O 3.05Å |
| 39 | A | 54.6 | Low | 83.5 | Confident | 25 Ų | 25 | 35 Ų | 35 | 21% | 0.207 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -1.7 | -173 | 0 | 0 | 0 | 0 | 0 | 116.2 | A67 | A39-A67 HydrophobicContact CB-CB 4.32Š|
| 40 | S | 58.2 | Low | 83.5 | Confident | 44 Ų | 44 | 35.3 Ų | 35.3 | 31% | 0.308 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -1.7 | -173.5 | 53.3 | 0 | 0 | 0 | 0 | 114.6 | S38 | S38-S40 VanDerWaalsContact C-N 3.33Å; S38-S40 PolarHBondContact O-N 2.83Å |
| 41 | I | 63.8 | Low | 83.4 | Confident | 14 Ų | 14 | 40.5 Ų | 40.5 | 7% | 0.072 | 21% | 0.21 | C | C | . | . | trans | -121.4 | 46.7 | -173.2 | -41.6 | 166.8 | 0 | 0 | 0 | 111.2 | I17 V36 G43 L44 L138 | I17-I41 HydrophobicContact CD1-CD1 4.37Å; I17-I41 HydrophobicContact CG1-CD1 4.25Å; I17-I41 HydrophobicContact CG2-CD1 3.91Å; I17-I41 HydrophobicContact CG2-CG1 4.46Å; I17-I41 HydrophobicContact CG2-CG2 3.81Å; V36-I41 HydrophobicContact CG1-CB 4.22Å; V36-I41 HydrophobicContact CG1-CD1 3.88Å; I41-G43 PolarHBondContact O-N 2.82Å; I41-L44 HydrophobicContact CG2-CB 3.72Å; I41-L44 HydrophobicContact CG2-CD2 3.91Å; I41-L44 HydrophobicContact CG2-CG 4.28Å; I41-L138 HydrophobicContact CD1-CB 4.3Å | ||
| 42 | D | 65.6 | Low | 83.3 | Confident | 86 Ų | 86 | 38.9 Ų | 38.9 | 46% | 0.46 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 134.3 | 178.5 | -67.8 | -50.2 | 0 | 0 | 0 | 111.3 | L44 R71 | D42-L44 VanDerWaalsContact C-N 3.35Å; D42-L44 PolarHBondContact O-N 3.31Å; D42-R71 IonicContact OD1-CZ 3.99Å; D42-R71 IonicContact OD1-NH1 2.81Å; D42-R71 PolarHBondContact OD1-NH1 2.82Å; D42-R71 IonicContact OD1-NH2 3.29Å; D42-R71 PolarHBondContact OD1-NH2 2.95Å; D42-R71 IonicContact OD2-CZ 2.98Å; D42-R71 IonicContact OD2-NH1 3.46Å; D42-R71 IonicContact OD2-NH2 3.93Å; D42-R71 PolarHBondContact OD2-NH2 2.92Å |
| 43 | G | 78 | Confident | 83 | Confident | 24 Ų | 24 | 44 Ų | 44 | 25% | 0.247 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 5.6 | 171 | 0 | 0 | 0 | 0 | 0 | 115.8 | I41 Y45 L46 Q47 | I41-G43 PolarHBondContact O-N 2.82Å; G43-Y45 VanDerWaalsContact C-N 3.27Å; G43-Y45 PolarHBondContact O-N 3.24Å; G43-L46 PolarHBondContact O-N 3.39Å; G43-L46 VanDerWaalsContact O-N 3.13Å; G43-Q47 WeakPolarHBondContact O-CG 3.5Å; G43-Q47 PolarHBondContact O-N 2.99Å |
| 44 | L | 85.8 | Confident | 82.8 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.7 | -41.8 | 176.2 | 178.9 | 64.2 | 0 | 0 | 0 | 112.3 | I17 Y18 V36 I41 D42 L46 Q47 L48 F59 L138 | I17-L44 HydrophobicContact CG2-CD2 4Å; Y18-L44 HydrophobicContact CD2-CD1 4.05Å; V36-L44 HydrophobicContact CG2-CD2 4.25Å; I41-L44 HydrophobicContact CG2-CB 3.72Å; I41-L44 HydrophobicContact CG2-CD2 3.91Å; I41-L44 HydrophobicContact CG2-CG 4.28Å; D42-L44 VanDerWaalsContact C-N 3.35Å; D42-L44 PolarHBondContact O-N 3.31Å; L44-L46 VanDerWaalsContact C-N 3.33Å; L44-L46 PolarHBondContact O-N 3.49Å; L44-Q47 PolarHBondContact O-N 3.36Å; L44-L48 HydrophobicContact CD1-CD1 3.93Å; L44-L48 HydrophobicContact CD1-CD2 4.46Å; L44-L48 HydrophobicContact CD1-CG 3.93Å; L44-L48 HydrophobicContact CD2-CD1 4.29Å; L44-L48 HydrophobicContact CG-CD1 3.8Å; L44-L48 HydrophobicContact CG-CG 4.21Å; L44-L48 WeakPolarHBondContact O-CG 3.43Å; L44-L48 PolarHBondContact O-N 3.18Å; L44-F59 HydrophobicContact CB-CZ 4.28Å; L44-F59 HydrophobicContact CD2-CE2 4.27Å; L44-F59 HydrophobicContact CD2-CZ 4.25Å; L44-F59 HydrophobicContact CG-CE2 4.32Å; L44-F59 HydrophobicContact CG-CZ 4.33Å; L44-L138 HydrophobicContact CD2-CD1 3.52Å |
| 45 | Y | 89 | Confident | 82.7 | Confident | 27 Ų | 27 | 54 Ų | 54 | 11% | 0.106 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.3 | -48.2 | 176.4 | 175.8 | -106.9 | 0 | 0 | 0 | 111.7 | G43 Q47 L48 C49 F59 Y106 | G43-Y45 VanDerWaalsContact C-N 3.27Å; G43-Y45 PolarHBondContact O-N 3.24Å; Y45-Q47 VanDerWaalsContact C-N 3.34Å; Y45-Q47 PolarHBondContact O-N 2.76Å; Y45-L48 PolarHBondContact O-N 3.21Å; Y45-C49 VanDerWaalsContact CD2-SG 3.59Å; Y45-C49 WeakPolarHBondContact CE2-SG 3.37Å; Y45-C49 WeakPolarHBondContact O-CB 3.47Å; Y45-C49 PolarHBondContact O-N 2.94Å; Y45-C49 PolarHBondContact O-SG 3.45Å; Y45-C49 VanDerWaalsContact O-SG 3.4Å; Y45-F59 HydrophobicContact CD2-CB 3.53Å; Y45-F59 HydrophobicContact CD2-CD1 4.04Å; Y45-F59 AromaticContact CD2-CD2 3.82Å; Y45-F59 HydrophobicContact CD2-CD2 3.82Å; Y45-F59 AromaticContact CD2-CG 3.52Å; Y45-F59 HydrophobicContact CD2-CG 3.52Å; Y45-F59 HydrophobicContact CE2-CB 3.89Å; Y45-F59 HydrophobicContact CE2-CG 4.38Å; Y45-F59 HydrophobicContact CG-CD1 4.3Å; Y45-F59 HydrophobicContact CG-CG 4.21Å; Y45-Y106 HydrophobicContact CD1-CD1 4.02Å; Y45-Y106 HydrophobicContact CD1-CD2 4.45Å; Y45-Y106 HydrophobicContact CD1-CE1 4.48Å; Y45-Y106 HydrophobicContact CD1-CG 4.02Å; Y45-Y106 HydrophobicContact CD2-CD2 4.45Å; Y45-Y106 HydrophobicContact CD2-CG 4.46Å; Y45-Y106 HydrophobicContact CE1-CD1 4.1Å; Y45-Y106 HydrophobicContact CE1-CG 4.06Å; Y45-Y106 HydrophobicContact CE2-CG 4.46Å; Y45-Y106 HydrophobicContact CG-CD2 4.26Å; Y45-Y106 HydrophobicContact CG-CG 4.24Å |
| 46 | L | 87.5 | Confident | 82.8 | Confident | 84 Ų | 84 | 54 Ų | 54 | 44% | 0.44 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | 179.6 | -64.7 | 173.8 | 0 | 0 | 0 | 111.4 | G43 L44 L48 Q50 | G43-L46 PolarHBondContact O-N 3.39Å; G43-L46 VanDerWaalsContact O-N 3.13Å; L44-L46 VanDerWaalsContact C-N 3.33Å; L44-L46 PolarHBondContact O-N 3.49Å; L46-L48 VanDerWaalsContact C-N 3.35Å; L46-L48 PolarHBondContact O-N 3.43Å; L46-Q50 WeakPolarHBondContact O-CG 3.42Å |
| 47 | Q | 87.5 | Confident | 83.1 | Confident | 75 Ų | 75 | 58.5 Ų | 58.5 | 35% | 0.35 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.3 | -36.6 | 177.2 | -67.3 | 178.7 | 6.2 | 0 | 0 | 112.7 | Y18 G43 L44 Y45 | Y18-Q47 HydrophobicContact CD2-CB 4.18Å; Y18-Q47 HydrophobicContact CE2-CB 3.94Å; G43-Q47 WeakPolarHBondContact O-CG 3.5Å; G43-Q47 PolarHBondContact O-N 2.99Å; L44-Q47 PolarHBondContact O-N 3.36Å; Y45-Q47 VanDerWaalsContact C-N 3.34Å; Y45-Q47 PolarHBondContact O-N 2.76Å |
| 48 | L | 90.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -78.2 | -42.4 | 179.4 | -67.6 | 174.8 | 0 | 0 | 0 | 112 | Y18 A21 L25 I34 L44 Y45 L46 Q50 R51 W52 I56 F59 | Y18-L48 HydrophobicContact CD2-CD2 4.02Å; Y18-L48 HydrophobicContact CE2-CD2 3.85Å; A21-L48 HydrophobicContact CB-CD1 4Å; A21-L48 HydrophobicContact CB-CD2 4.33Å; L25-L48 HydrophobicContact CD1-CD1 4.39Å; L25-L48 HydrophobicContact CD1-CD2 3.95Å; I34-L48 HydrophobicContact CD1-CD1 3.81Å; L44-L48 HydrophobicContact CD1-CD1 3.93Å; L44-L48 HydrophobicContact CD1-CD2 4.46Å; L44-L48 HydrophobicContact CD1-CG 3.93Å; L44-L48 HydrophobicContact CD2-CD1 4.29Å; L44-L48 HydrophobicContact CG-CD1 3.8Å; L44-L48 HydrophobicContact CG-CG 4.21Å; L44-L48 WeakPolarHBondContact O-CG 3.43Å; L44-L48 PolarHBondContact O-N 3.18Å; Y45-L48 PolarHBondContact O-N 3.21Å; L46-L48 VanDerWaalsContact C-N 3.35Å; L46-L48 PolarHBondContact O-N 3.43Å; L48-Q50 PolarHBondContact O-N 2.7Å; L48-R51 PolarHBondContact O-N 2.86Å; L48-R51 VanDerWaalsContact O-N 3.11Å; L48-W52 HydrophobicContact CB-CE3 4.36Å; L48-W52 HydrophobicContact CD2-CE3 3.82Å; L48-W52 HydrophobicContact CD2-CZ3 3.93Å; L48-W52 VanDerWaalsContact O-CE3 3.31Å; L48-W52 PolarHBondContact O-N 3.21Å; L48-I56 HydrophobicContact CB-CD1 3.88Å; L48-F59 HydrophobicContact CD1-CE2 4.32Å |
| 49 | C | 90.3 | Very high | 84.8 | Confident | 20 Ų | 20 | 58.7 Ų | 58.7 | 14% | 0.135 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.4 | -26.2 | -175.6 | -76.7 | 0 | 0 | 0 | 0 | 113.9 | Y45 R51 E53 | Y45-C49 VanDerWaalsContact CD2-SG 3.59Å; Y45-C49 WeakPolarHBondContact CE2-SG 3.37Å; Y45-C49 WeakPolarHBondContact O-CB 3.47Å; Y45-C49 PolarHBondContact O-N 2.94Å; Y45-C49 PolarHBondContact O-SG 3.45Å; Y45-C49 VanDerWaalsContact O-SG 3.4Å; C49-R51 PolarHBondContact O-N 3.2Å; C49-E53 HydrophobicContact CB-CB 4.26Å; C49-E53 WeakPolarHBondContact O-CB 3.11Å; C49-E53 PolarHBondContact O-N 3.22Å |
| 50 | Q | 88.7 | Confident | 86.6 | Confident | 175 Ų | 175 | 57.5 Ų | 57.5 | 82% | 0.818 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -52.9 | -27.1 | 173 | -75.3 | 177.5 | 3.4 | 0 | 0 | 113.7 | L46 L48 | L46-Q50 WeakPolarHBondContact O-CG 3.42Å; L48-Q50 PolarHBondContact O-N 2.7Å |
| 51 | R | 90.8 | Very high | 88.2 | Confident | 191 Ų | 191 | 56.2 Ų | 56.2 | 72% | 0.721 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -129 | -25.9 | -177.6 | -172.6 | 169 | 179.7 | 163.1 | 4.7 | 114.7 | L48 C49 | L48-R51 PolarHBondContact O-N 2.86Å; L48-R51 VanDerWaalsContact O-N 3.11Å; C49-R51 PolarHBondContact O-N 3.2Å |
| 52 | W | 92.9 | Very high | 89.3 | Confident | 28 Ų | 28 | 55.7 Ų | 55.7 | 11% | 0.106 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -123.8 | 18.8 | -171.2 | -59.9 | -76.6 | 0 | 0 | 0 | 114 | Y18 K22 L25 L48 K54 A55 I56 | Y18-W52 HydrophobicContact CE2-CZ3 4.15Å; Y18-W52 AromaticContact CZ-CH2 3.99Å; Y18-W52 AromaticContact CZ-CZ3 3.75Å; Y18-W52 VanDerWaalsContact OH-CH2 3.29Å; Y18-W52 WeakPolarHBondContact OH-CH2 3.2Å; Y18-W52 WeakPolarHBondContact OH-CZ3 3.41Å; K22-W52 HydrophobicContact CB-CH2 4.36Å; K22-W52 HydrophobicContact CD-CH2 3.78Å; K22-W52 HydrophobicContact CD-CZ2 3.97Å; K22-W52 HydrophobicContact CG-CH2 3.8Å; K22-W52 HydrophobicContact CG-CZ2 3.69Å; L25-W52 HydrophobicContact CD1-CB 3.83Å; L25-W52 HydrophobicContact CD1-CD2 4.17Å; L25-W52 HydrophobicContact CD1-CE3 4.36Å; L25-W52 HydrophobicContact CD1-CG 3.93Å; L25-W52 HydrophobicContact CD2-CB 4.37Å; L48-W52 HydrophobicContact CB-CE3 4.36Å; L48-W52 HydrophobicContact CD2-CE3 3.82Å; L48-W52 HydrophobicContact CD2-CZ3 3.93Å; L48-W52 VanDerWaalsContact O-CE3 3.31Å; L48-W52 PolarHBondContact O-N 3.21Å; W52-K54 VanDerWaalsContact C-N 3.25Å; W52-K54 PolarHBondContact O-N 2.98Å; W52-K54 VanDerWaalsContact O-N 3.16Å; W52-A55 HydrophobicContact CB-CB 4.33Å; W52-A55 WeakPolarHBondContact O-CA 3.19Å; W52-A55 WeakPolarHBondContact O-CB 3.3Å; W52-A55 PolarHBondContact O-N 3.13Å; W52-I56 PolarHBondContact O-N 2.86Å |
| 53 | E | 90.6 | Very high | 89.8 | Confident | 107 Ų | 107 | 51.8 Ų | 51.8 | 50% | 0.5 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -48.3 | -46.6 | 179.7 | -178.1 | 177.9 | -155.3 | 0 | 0 | 112.8 | C49 A55 I56 R105 | C49-E53 HydrophobicContact CB-CB 4.26Å; C49-E53 WeakPolarHBondContact O-CB 3.11Å; C49-E53 PolarHBondContact O-N 3.22Å; E53-A55 VanDerWaalsContact C-N 3.28Å; E53-A55 PolarHBondContact O-N 2.81Å; E53-I56 PolarHBondContact O-N 3.37Å; E53-R105 PolarHBondContact O-NH1 3.04Å |
| 54 | K | 91.9 | Very high | 89.3 | Confident | 182 Ų | 182 | 53.6 Ų | 53.6 | 79% | 0.791 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -65.9 | -27.9 | 179.6 | -65.6 | -174.4 | 179.5 | -179.2 | 0 | 113.7 | W52 I56 | W52-K54 VanDerWaalsContact C-N 3.25Å; W52-K54 PolarHBondContact O-N 2.98Å; W52-K54 VanDerWaalsContact O-N 3.16Å; K54-I56 VanDerWaalsContact C-N 3.35Å |
| 55 | A | 94.6 | Very high | 87.7 | Confident | 30 Ų | 30 | 58.7 Ų | 58.7 | 25% | 0.248 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -83.6 | -10.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | L25 P31 V32 W52 E53 | L25-A55 HydrophobicContact CD2-CB 3.87Å; P31-A55 CarbonylContact C-O 3.59Å; P31-A55 VanDerWaalsContact CA-O 3.24Å; P31-A55 WeakPolarHBondContact CA-O 3.26Å; V32-A55 PolarHBondContact N-O 3.09Å; W52-A55 HydrophobicContact CB-CB 4.33Å; W52-A55 WeakPolarHBondContact O-CA 3.19Å; W52-A55 WeakPolarHBondContact O-CB 3.3Å; W52-A55 PolarHBondContact O-N 3.13Å; E53-A55 VanDerWaalsContact C-N 3.28Å; E53-A55 PolarHBondContact O-N 2.81Å |
| 56 | I | 95 | Very high | 85.8 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 107.4 | 177.4 | -62.5 | 166.4 | 0 | 0 | 0 | 108.7 | L25 V32 I34 L48 W52 E53 K54 F59 R105 | L25-I56 HydrophobicContact CD2-CG1 3.74Å; V32-I56 CarbonylContact O-C 3.51Å; I34-I56 HydrophobicContact CD1-CG1 4.43Å; L48-I56 HydrophobicContact CB-CD1 3.88Å; W52-I56 PolarHBondContact O-N 2.86Å; E53-I56 PolarHBondContact O-N 3.37Å; K54-I56 VanDerWaalsContact C-N 3.35Å; I56-F59 HydrophobicContact CG2-CB 4.13Å; I56-R105 PolarHBondContact O-NH1 2.92Å |
| 57 | F | 95.2 | Very high | 84 | Confident | 94 Ų | 94 | 60.3 Ų | 60.3 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | -48.6 | 171.4 | 179.1 | -104.6 | 0 | 0 | 0 | 111 | P31 V32 Q33 | P31-F57 HydrophobicContact CB-CB 3.77Å; V32-F57 WeakPolarHBondContact O-CB 3.21Å; V32-F57 PolarHBondContact O-N 3.16Å; Q33-F57 HydrophobicContact CG-CD1 3.85Å |
| 58 | R | 95.4 | Very high | 81.9 | Confident | 21 Ų | 21 | 58.3 Ų | 58.3 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 139.1 | -179 | -151.1 | 72.6 | 157.4 | 169.9 | 4.6 | 110.7 | V32 Q33 I34 V60 H101 N104 R105 V107 C127 L129 | V32-R58 PolarHBondContact O-N 3.09Å; Q33-R58 CarbonylContact C-O 3.49Å; Q33-R58 VanDerWaalsContact CA-O 3.28Å; Q33-R58 WeakPolarHBondContact CA-O 3.37Å; Q33-R58 HydrophobicContact CG-CB 3.98Å; I34-R58 PolarHBondContact N-O 2.86Å; R58-V60 HydrophobicContact CG-CG2 4.22Å; R58-H101 PolarHBondContact NH2-CE1 3.05Å; R58-H101 PolarHBondContact NH2-ND1 2.87Å; R58-N104 PolarHBondContact NH1-O 2.92Å; R58-R105 CarbonylContact C-O 3.56Å; R58-R105 WeakPolarHBondContact CA-O 3.13Å; R58-V107 VanDerWaalsContact NH2-CG2 3.3Å; R58-C127 PolarHBondContact NE-O 3.33Å; R58-C127 PolarHBondContact NH2-O 2.64Å; R58-L129 HydrophobicContact CB-CD2 4Å; R58-L129 HydrophobicContact CG-CD2 3.96Å |
| 59 | F | 94.8 | Very high | 79.2 | Confident | 3 Ų | 3 | 63.7 Ų | 63.7 | 1% | 0.013 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 121.3 | 171.1 | -167.1 | -77.5 | 0 | 0 | 0 | 107.8 | I34 V36 L44 Y45 L48 I56 E61 R105 Y106 V107 | I34-F59 HydrophobicContact CB-CD2 3.78Å; I34-F59 HydrophobicContact CB-CE2 4.09Å; I34-F59 HydrophobicContact CD1-CD2 4.34Å; I34-F59 HydrophobicContact CG2-CD2 3.95Å; I34-F59 HydrophobicContact CG2-CE2 3.71Å; I34-F59 HydrophobicContact CG2-CZ 4.46Å; I34-F59 CarbonylContact O-C 3.52Å; I34-F59 VanDerWaalsContact O-CA 3.29Å; I34-F59 WeakPolarHBondContact O-CA 3.09Å; V36-F59 HydrophobicContact CG2-CE1 3.9Å; V36-F59 HydrophobicContact CG2-CE2 4.19Å; V36-F59 HydrophobicContact CG2-CZ 3.45Å; V36-F59 VanDerWaalsContact CG2-CZ 3.45Å; L44-F59 HydrophobicContact CB-CZ 4.28Å; L44-F59 HydrophobicContact CD2-CE2 4.27Å; L44-F59 HydrophobicContact CD2-CZ 4.25Å; L44-F59 HydrophobicContact CG-CE2 4.32Å; L44-F59 HydrophobicContact CG-CZ 4.33Å; Y45-F59 HydrophobicContact CD2-CB 3.53Å; Y45-F59 HydrophobicContact CD2-CD1 4.04Å; Y45-F59 AromaticContact CD2-CD2 3.82Å; Y45-F59 HydrophobicContact CD2-CD2 3.82Å; Y45-F59 AromaticContact CD2-CG 3.52Å; Y45-F59 HydrophobicContact CD2-CG 3.52Å; Y45-F59 HydrophobicContact CE2-CB 3.89Å; Y45-F59 HydrophobicContact CE2-CG 4.38Å; Y45-F59 HydrophobicContact CG-CD1 4.3Å; Y45-F59 HydrophobicContact CG-CG 4.21Å; L48-F59 HydrophobicContact CD1-CE2 4.32Å; I56-F59 HydrophobicContact CG2-CB 4.13Å; F59-E61 HydrophobicContact CE1-CB 4.31Å; F59-R105 PolarHBondContact N-O 2.85Å; F59-Y106 HydrophobicContact CB-CD2 4.38Å; F59-Y106 AromaticContact CD1-CD2 3.73Å; F59-Y106 HydrophobicContact CD1-CD2 3.73Å; F59-Y106 AromaticContact CD1-CE2 3.86Å; F59-Y106 HydrophobicContact CD1-CE2 3.86Å; F59-Y106 HydrophobicContact CE1-CE2 4.26Å; F59-Y106 HydrophobicContact CG-CD2 4.45Å; F59-Y106 WeakPolarHBondContact O-CA 3.4Å; F59-V107 PolarHBondContact O-N 3.03Å |
| 60 | V | 93.2 | Very high | 76.9 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 122.2 | 179.6 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | I34 V35 V36 R58 V62 V107 L123 C127 L129 | I34-V60 PolarHBondContact O-N 3.11Å; V35-V60 CarbonylContact C-O 3.6Å; V35-V60 WeakPolarHBondContact CA-O 3.49Å; V35-V60 HydrophobicContact CG1-CB 4.33Å; V35-V60 HydrophobicContact CG2-CB 4.41Å; V36-V60 PolarHBondContact N-O 2.85Å; R58-V60 HydrophobicContact CG-CG2 4.22Å; V60-V62 HydrophobicContact CG1-CG2 4.06Å; V60-V107 CarbonylContact C-O 3.56Å; V60-V107 WeakPolarHBondContact CA-O 3.22Å; V60-V107 HydrophobicContact CG2-CB 4.34Å; V60-L123 HydrophobicContact CG1-CD2 4.11Å; V60-C127 HydrophobicContact CG1-CB 4.2Å; V60-C127 HydrophobicContact CG2-CB 3.9Å; V60-L129 HydrophobicContact CG2-CD1 4.39Å; V60-L129 HydrophobicContact CG2-CD2 3.77Å; V60-L129 HydrophobicContact CG2-CG 4.23Å |
| 61 | E | 90.7 | Very high | 74.7 | Confident | 17 Ų | 17 | 60.5 Ų | 60.5 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 114.9 | 172.6 | -173.3 | 178.8 | -177.2 | 0 | 0 | 109.6 | F59 I63 Y106 V107 R108 A109 | F59-E61 HydrophobicContact CE1-CB 4.31Å; E61-I63 HydrophobicContact CG-CD1 4.46Å; E61-I63 HydrophobicContact CG-CG1 4.11Å; E61-Y106 HydrophobicContact CB-CE2 3.96Å; E61-Y106 PolarHBondContact OE2-OH 3.29Å; E61-V107 PolarHBondContact N-O 3.42Å; E61-R108 CarbonylContact O-C 3.53Å; E61-R108 WeakPolarHBondContact O-CA 3.29Å; E61-A109 PolarHBondContact O-N 3.01Å |
| 62 | V | 86.8 | Confident | 72.2 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 117.1 | 179.4 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | V35 V36 I37 V60 A109 L111 V113 L123 | V35-V62 HydrophobicContact CG1-CG2 4.35Å; V36-V62 PolarHBondContact O-N 2.96Å; I37-V62 HydrophobicContact CB-CB 4.48Å; I37-V62 HydrophobicContact CG1-CB 4.02Å; I37-V62 HydrophobicContact CG1-CG2 4.05Å; I37-V62 HydrophobicContact CG2-CG1 4.5Å; V60-V62 HydrophobicContact CG1-CG2 4.06Å; V62-A109 CarbonylContact C-O 3.58Å; V62-A109 VanDerWaalsContact CA-O 3.31Å; V62-A109 WeakPolarHBondContact CA-O 3.48Å; V62-L111 HydrophobicContact CB-CD2 4.35Å; V62-L111 HydrophobicContact CG1-CD1 3.81Å; V62-L111 HydrophobicContact CG1-CD2 3.55Å; V62-L111 HydrophobicContact CG1-CG 3.46Å; V62-L111 VanDerWaalsContact CG1-CG 3.46Å; V62-L111 HydrophobicContact CG2-CD2 4.02Å; V62-V113 HydrophobicContact CG1-CG1 3.57Å; V62-L123 HydrophobicContact CG2-CD2 4.4Å |
| 63 | I | 76.9 | Confident | 69.4 | Low | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.026 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 127.6 | -178.1 | -54.7 | -178 | 0 | 0 | 0 | 109.1 | E61 L68 R108 A109 | E61-I63 HydrophobicContact CG-CD1 4.46Å; E61-I63 HydrophobicContact CG-CG1 4.11Å; I63-L68 HydrophobicContact CG2-CD1 4.46Å; I63-R108 HydrophobicContact CD1-CG 4.07Å; I63-R108 VanDerWaalsContact CD1-NH2 3.26Å; I63-A109 PolarHBondContact N-O 3.29Å |
| 64 | R | 66.7 | Low | 66.7 | Low | 61 Ų | 61 | 62.7 Ų | 62.7 | 23% | 0.23 | 33% | 0.333 | C | S | . | . | trans | -75.5 | 132.2 | 177.8 | -142.3 | -179 | 178.9 | -153.4 | 8 | 109.8 | L66 A67 F114 Y145 | R64-L66 PolarHBondContact O-N 2.93Å; R64-L66 VanDerWaalsContact O-N 3.08Å; R64-A67 WeakPolarHBondContact O-CB 3.23Å; R64-A67 PolarHBondContact O-N 3.12Å; R64-F114 VanDerWaalsContact NH2-CD2 3.28Å; R64-Y145 PolarHBondContact NH2-O 2.83Å | ||
| 65 | L | 52.5 | Low | 64 | Low | 111 Ų | 111 | 61.9 Ų | 61.9 | 58% | 0.581 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -51.3 | -36.2 | -175.4 | -154.2 | 78.7 | 0 | 0 | 0 | 113.8 | A67 L68 I69 | L65-A67 VanDerWaalsContact C-N 3.3Å; L65-A67 PolarHBondContact O-N 2.94Å; L65-L68 WeakPolarHBondContact O-CB 3.42Å; L65-L68 PolarHBondContact O-N 2.81Å; L65-L68 VanDerWaalsContact O-N 3.16Å; L65-I69 PolarHBondContact O-N 2.95Å |
| 66 | L | 48.6 | Very low | 61 | Low | 119 Ų | 119 | 70.1 Ų | 70.1 | 62% | 0.623 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.2 | -28 | 178.1 | -77 | 163.7 | 0 | 0 | 0 | 114.1 | R64 L68 A70 | R64-L66 PolarHBondContact O-N 2.93Å; R64-L66 VanDerWaalsContact O-N 3.08Å; L66-L68 VanDerWaalsContact C-N 3.31Å; L66-A70 PolarHBondContact O-N 2.83Å |
| 67 | A | 50.1 | Low | 57.9 | Low | 26 Ų | 26 | 76.1 Ų | 76.1 | 22% | 0.215 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -76.2 | -20.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A39 R64 L65 R71 | A39-A67 HydrophobicContact CB-CB 4.32Å; R64-A67 WeakPolarHBondContact O-CB 3.23Å; R64-A67 PolarHBondContact O-N 3.12Å; L65-A67 VanDerWaalsContact C-N 3.3Å; L65-A67 PolarHBondContact O-N 2.94Å; A67-R71 VanDerWaalsContact O-CB 3.29Å; A67-R71 WeakPolarHBondContact O-CB 3.37Å; A67-R71 WeakPolarHBondContact O-CG 3.4Å; A67-R71 PolarHBondContact O-N 3.36Å |
| 68 | L | 42.7 | Very low | 54.6 | Low | 32 Ų | 32 | 75.7 Ų | 75.7 | 17% | 0.168 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -74.9 | -43.4 | 174.6 | -115.7 | 143.1 | 0 | 0 | 0 | 110.9 | I63 L65 L66 A70 R71 E72 E110 | I63-L68 HydrophobicContact CG2-CD1 4.46Å; L65-L68 WeakPolarHBondContact O-CB 3.42Å; L65-L68 PolarHBondContact O-N 2.81Å; L65-L68 VanDerWaalsContact O-N 3.16Å; L66-L68 VanDerWaalsContact C-N 3.31Å; L68-A70 VanDerWaalsContact C-N 3.3Å; L68-A70 PolarHBondContact O-N 2.86Å; L68-R71 PolarHBondContact O-N 2.93Å; L68-R71 VanDerWaalsContact O-N 3.12Å; L68-E72 HydrophobicContact CD2-CG 4.34Å; L68-E72 WeakPolarHBondContact O-CB 3.48Å; L68-E72 PolarHBondContact O-N 2.94Å; L68-E110 HydrophobicContact CD1-CG 4.36Å; L68-E110 VanDerWaalsContact CD1-OE1 3.29Å; L68-E110 WeakPolarHBondContact CD1-OE1 3.22Å |
| 69 | I | 35.9 | Very low | 51.5 | Low | 113 Ų | 113 | 79.7 Ų | 79.7 | 58% | 0.579 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -59.6 | -41.6 | 174.8 | -60.3 | 173.6 | 0 | 0 | 0 | 110.9 | L65 G73 | L65-I69 PolarHBondContact O-N 2.95Å; I69-G73 PolarHBondContact O-N 3.3Å |
| 70 | A | 41 | Very low | 48.7 | Very low | 63 Ų | 63 | 83 Ų | 83 | 52% | 0.521 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -72.8 | -31.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L66 L68 M74 | L66-A70 PolarHBondContact O-N 2.83Å; L68-A70 VanDerWaalsContact C-N 3.3Å; L68-A70 PolarHBondContact O-N 2.86Å; A70-M74 PolarHBondContact O-N 3.26Å |
| 71 | R | 43.1 | Very low | 46 | Very low | 65 Ų | 65 | 88.2 Ų | 88.2 | 25% | 0.245 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -77.6 | -34.4 | 177.4 | -85.6 | -179.2 | 170.9 | -175.6 | -3.9 | 112.7 | D42 A67 L68 G73 M74 R75 | D42-R71 IonicContact OD1-CZ 3.99Å; D42-R71 IonicContact OD1-NH1 2.81Å; D42-R71 PolarHBondContact OD1-NH1 2.82Å; D42-R71 IonicContact OD1-NH2 3.29Å; D42-R71 PolarHBondContact OD1-NH2 2.95Å; D42-R71 IonicContact OD2-CZ 2.98Å; D42-R71 IonicContact OD2-NH1 3.46Å; D42-R71 IonicContact OD2-NH2 3.93Å; D42-R71 PolarHBondContact OD2-NH2 2.92Å; A67-R71 VanDerWaalsContact O-CB 3.29Å; A67-R71 WeakPolarHBondContact O-CB 3.37Å; A67-R71 WeakPolarHBondContact O-CG 3.4Å; A67-R71 PolarHBondContact O-N 3.36Å; L68-R71 PolarHBondContact O-N 2.93Å; L68-R71 VanDerWaalsContact O-N 3.12Å; R71-G73 VanDerWaalsContact C-N 3.32Å; R71-M74 PolarHBondContact O-N 3.1Å; R71-R75 VanDerWaalsContact O-CB 3.29Å; R71-R75 WeakPolarHBondContact O-CB 3.27Å; R71-R75 WeakPolarHBondContact O-CG 3.39Å; R71-R75 PolarHBondContact O-N 2.99Å |
| 72 | E | 37.9 | Very low | 43.6 | Very low | 143 Ų | 143 | 92.4 Ų | 92.4 | 67% | 0.668 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69.4 | -32 | 173.9 | -76.1 | 176.7 | 156.9 | 0 | 0 | 111.4 | L68 M74 | L68-E72 HydrophobicContact CD2-CG 4.34Å; L68-E72 WeakPolarHBondContact O-CB 3.48Å; L68-E72 PolarHBondContact O-N 2.94Å; E72-M74 VanDerWaalsContact C-N 3.29Å; E72-M74 PolarHBondContact O-N 2.67Å |
| 73 | G | 33.8 | Very low | 41.2 | Very low | 69 Ų | 69 | 98.1 Ų | 98.1 | 71% | 0.711 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -19.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | I69 R71 | I69-G73 PolarHBondContact O-N 3.3Å; R71-G73 VanDerWaalsContact C-N 3.32Å |
| 74 | M | 34.5 | Very low | 39.3 | Very low | 161 Ų | 161 | 103.4 Ų | 103.4 | 79% | 0.793 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | -10.3 | -177.6 | -76.3 | -131.6 | -80.8 | 0 | 0 | 115.4 | A70 R71 E72 Q76 | A70-M74 PolarHBondContact O-N 3.26Å; R71-M74 PolarHBondContact O-N 3.1Å; E72-M74 VanDerWaalsContact C-N 3.29Å; E72-M74 PolarHBondContact O-N 2.67Å; M74-Q76 PolarHBondContact O-N 3.34Å |
| 75 | R | 34 | Very low | 37.9 | Very low | 165 Ų | 165 | 108.6 Ų | 108.6 | 62% | 0.623 | 59% | 0.587 | S | S | * | * | trans | -92.5 | 71.4 | 178.7 | -78.4 | -177.1 | 172.8 | -177.8 | -1.8 | 112.1 | R71 | R71-R75 VanDerWaalsContact O-CB 3.29Å; R71-R75 WeakPolarHBondContact O-CB 3.27Å; R71-R75 WeakPolarHBondContact O-CG 3.39Å; R71-R75 PolarHBondContact O-N 2.99Å | ||
| 76 | Q | 32.4 | Very low | 37.3 | Very low | 202 Ų | 202 | 106.1 Ų | 106.1 | 94% | 0.944 | 58% | 0.576 | S | S | * | * | trans | -97.4 | 8.7 | 145.7 | -77 | -165.2 | -0.2 | 0 | 0 | 112.4 | M74 | M74-Q76 PolarHBondContact O-N 3.34Š| ||
| 77 | V | 30.2 | Very low | 36.6 | Very low | 127 Ų | 127 | 109.7 Ų | 109.7 | 77% | 0.77 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -94.3 | 124.6 | 176.6 | -173.7 | 0 | 0 | 0 | 0 | 110.2 | ||
| 78 | A | 26.5 | Very low | 35.8 | Very low | 85 Ų | 85 | 115.3 Ų | 115.3 | 70% | 0.702 | 61% | 0.608 | S | S | * | * | trans | -34.9 | 136 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | S80 | A78-S80 PolarHBondContact O-N 2.91Š| ||
| 79 | P | 29.7 | Very low | 35.5 | Very low | 105 Ų | 105 | 117.2 Ų | 117.2 | 68% | 0.682 | 63% | 0.628 | S | S | * | * | trans | -71.6 | 125.5 | 172.8 | 26.5 | -25.1 | 0 | 0 | 0 | 109.9 | D81 | P79-D81 PolarHBondContact O-N 3.1Š| ||
| 80 | S | 36.6 | Very low | 35.4 | Very low | 72 Ų | 72 | 118 Ų | 118 | 50% | 0.503 | 63% | 0.631 | S | S | . | * | trans | -63.9 | 132.7 | 169.5 | 121.2 | 0 | 0 | 0 | 0 | 109.6 | A78 V82 Y83 | A78-S80 PolarHBondContact O-N 2.91Å; S80-V82 PolarHBondContact O-N 2.66Å; S80-Y83 PolarHBondContact O-N 2.83Å | ||
| 81 | D | 36.4 | Very low | 35.1 | Very low | 110 Ų | 110 | 121 Ų | 121 | 59% | 0.588 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -62.2 | -12.3 | -175.3 | -74.7 | -48.6 | 0 | 0 | 0 | 114.1 | P79 Y83 K84 | P79-D81 PolarHBondContact O-N 3.1Å; D81-Y83 VanDerWaalsContact C-N 3.27Å; D81-Y83 PolarHBondContact O-N 2.73Å; D81-K84 PolarHBondContact O-N 2.79Å; D81-K84 IonicContact OD1-NZ 3.96Å; D81-K84 PolarHBondContact OD1-NZ 2.86Å |
| 82 | V | 39.5 | Very low | 34.7 | Very low | 104 Ų | 104 | 124.7 Ų | 124.7 | 63% | 0.63 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -68 | -26.2 | 179.3 | -174.5 | 0 | 0 | 0 | 0 | 112.1 | S80 | S80-V82 PolarHBondContact O-N 2.66Š|
| 83 | Y | 35.6 | Very low | 34.4 | Very low | 123 Ų | 123 | 121.5 Ų | 121.5 | 48% | 0.482 | 67% | 0.671 | S | S | . | * | G | 310 helix | trans | -87.4 | -12.9 | 178 | -88.7 | -86.6 | 0 | 0 | 0 | 114.4 | S80 D81 V86 R87 | S80-Y83 PolarHBondContact O-N 2.83Å; D81-Y83 VanDerWaalsContact C-N 3.27Å; D81-Y83 PolarHBondContact O-N 2.73Å; Y83-V86 PolarHBondContact O-N 3.37Å; Y83-R87 PolarHBondContact O-N 2.92Å |
| 84 | K | 36.9 | Very low | 34.7 | Very low | 115 Ų | 115 | 122.1 Ų | 122.1 | 50% | 0.5 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -69.1 | -35.2 | 178.3 | -80.8 | 179.7 | -175.4 | 155.6 | 0 | 112.3 | D81 V86 R87 | D81-K84 PolarHBondContact O-N 2.79Å; D81-K84 IonicContact OD1-NZ 3.96Å; D81-K84 PolarHBondContact OD1-NZ 2.86Å; K84-V86 PolarHBondContact O-N 2.82Å; K84-R87 PolarHBondContact O-N 3.35Å |
| 85 | Q | 38.4 | Very low | 35.2 | Very low | 171 Ų | 171 | 121.1 Ų | 121.1 | 80% | 0.799 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -67.7 | -28 | 178.7 | -73.2 | -176.1 | -4 | 0 | 0 | 112.8 | ||
| 86 | V | 38.7 | Very low | 35.9 | Very low | 59 Ų | 59 | 120.3 Ų | 120.3 | 36% | 0.358 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -77.9 | -26.8 | 177 | 178 | 0 | 0 | 0 | 0 | 111.9 | Y83 K84 N88 I102 | Y83-V86 PolarHBondContact O-N 3.37Å; K84-V86 PolarHBondContact O-N 2.82Å; V86-N88 VanDerWaalsContact C-N 3.34Å; V86-N88 PolarHBondContact O-N 3.04Å; V86-I102 HydrophobicContact CG1-CG2 3.05Å |
| 87 | R | 34.5 | Very low | 37.3 | Very low | 193 Ų | 193 | 117.1 Ų | 117.1 | 73% | 0.728 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.1 | -22.8 | -179.7 | -123.4 | -178.2 | -163.6 | -176.6 | 3.2 | 114 | Y83 K84 A89 | Y83-R87 PolarHBondContact O-N 2.92Å; K84-R87 PolarHBondContact O-N 3.35Å; R87-A89 VanDerWaalsContact C-N 3.26Å; R87-A89 PolarHBondContact O-N 3.11Å |
| 88 | N | 33.7 | Very low | 39.5 | Very low | 145 Ų | 145 | 112.3 Ų | 112.3 | 78% | 0.775 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | 4.5 | -173.2 | -71 | -9.2 | 0 | 0 | 0 | 114.3 | V86 | V86-N88 VanDerWaalsContact C-N 3.34Å; V86-N88 PolarHBondContact O-N 3.04Å |
| 89 | A | 35.3 | Very low | 42.3 | Very low | 72 Ų | 72 | 108.4 Ų | 108.4 | 60% | 0.595 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | 14.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R87 T91 | R87-A89 VanDerWaalsContact C-N 3.26Å; R87-A89 PolarHBondContact O-N 3.11Å; A89-T91 PolarHBondContact O-N 2.94Å |
| 90 | M | 35.2 | Very low | 45 | Very low | 129 Ų | 129 | 106 Ų | 106 | 64% | 0.635 | 57% | 0.566 | S | S | * | * | trans | -77 | 95.5 | -176.5 | -74.2 | -177.7 | 136.2 | 0 | 0 | 112.1 | ||||
| 91 | T | 33.9 | Very low | 47.5 | Very low | 125 Ų | 125 | 105.2 Ų | 105.2 | 77% | 0.767 | 55% | 0.554 | S | S | * | * | trans | -77.2 | 131.6 | 158.9 | 45 | 0 | 0 | 0 | 0 | 110 | A89 A93 | A89-T91 PolarHBondContact O-N 2.94Å; T91-A93 PolarHBondContact O-N 2.83Å | ||
| 92 | T | 34.5 | Very low | 49.8 | Very low | 144 Ų | 144 | 102 Ų | 102 | 88% | 0.883 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 19.6 | -171.3 | 30.1 | 0 | 0 | 0 | 0 | 117.1 | ||
| 93 | A | 32.9 | Very low | 52.1 | Low | 75 Ų | 75 | 99.6 Ų | 99.6 | 62% | 0.62 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -14.5 | -163.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | T91 | T91-A93 PolarHBondContact O-N 2.83Š|
| 94 | D | 38.5 | Very low | 54.6 | Low | 83 Ų | 83 | 99.7 Ų | 99.7 | 44% | 0.444 | 53% | 0.531 | S | S | . | . | trans | -120.1 | 39.3 | -168.3 | -73.6 | -25.6 | 0 | 0 | 0 | 114.5 | H96 V99 H101 | D94-H96 PolarHBondContact O-N 2.8Å; D94-V99 VanDerWaalsContact O-O 3.06Å; D94-H101 IonicContact OD2-CD2 2.74Å; D94-H101 PolarHBondContact OD2-CD2 3.39Å; D94-H101 VanDerWaalsContact OD2-CD2 3.29Å; D94-H101 IonicContact OD2-CG 3.74Å; D94-H101 IonicContact OD2-NE2 3.8Å | ||
| 95 | L | 45.1 | Very low | 57.2 | Low | 140 Ų | 140 | 97.6 Ų | 97.6 | 73% | 0.733 | 52% | 0.52 | S | S | * | . | trans | -76.6 | 6.2 | 179.4 | -98.3 | 155.4 | 0 | 0 | 0 | 115.2 | H97 | L95-H97 PolarHBondContact O-N 2.86Š| ||
| 96 | H | 49.5 | Very low | 59.8 | Low | 148 Ų | 148 | 90.2 Ų | 90.2 | 69% | 0.685 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | 110.4 | 177.7 | -80.1 | -66.8 | 0 | 0 | 0 | 110.6 | D94 | D94-H96 PolarHBondContact O-N 2.8Š|
| 97 | H | 61.9 | Low | 62.3 | Low | 134 Ų | 134 | 87.4 Ų | 87.4 | 62% | 0.62 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | 30.7 | 168.2 | -54.3 | 68.8 | 0 | 0 | 0 | 117.9 | L95 V99 V122 | L95-H97 PolarHBondContact O-N 2.86Å; H97-V99 VanDerWaalsContact C-N 3.27Å; H97-V99 PolarHBondContact O-N 2.82Å; H97-V122 HydrophobicContact CB-CG2 4.47Å |
| 98 | G | 76.4 | Confident | 64.9 | Low | 26 Ų | 26 | 81.3 Ų | 81.3 | 27% | 0.268 | 45% | 0.445 | S | S | . | . | S | Bend | trans | 70 | 23.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E110 | G98-E110 WeakPolarHBondContact O-CB 3.38Å; G98-E110 PolarHBondContact O-N 3.45Å |
| 99 | V | 84.6 | Confident | 67.4 | Low | 3 Ų | 3 | 74.4 Ų | 74.4 | 2% | 0.018 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 130.9 | 178 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | D94 H97 V107 R108 A109 V122 | D94-V99 VanDerWaalsContact O-O 3.06Å; H97-V99 VanDerWaalsContact C-N 3.27Å; H97-V99 PolarHBondContact O-N 2.82Å; V99-V107 HydrophobicContact CG1-CG1 3.4Å; V99-V107 VanDerWaalsContact CG1-CG1 3.4Å; V99-R108 CarbonylContact C-O 3.58Å; V99-A109 HydrophobicContact CG1-CB 4.44Å; V99-A109 HydrophobicContact CG2-CB 3.99Å; V99-V122 HydrophobicContact CG2-CG1 3.76Å |
| 100 | H | 87 | Confident | 69.6 | Low | 56 Ų | 56 | 73.5 Ų | 73.5 | 26% | 0.259 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 109.9 | -177.2 | -57.6 | -74.9 | 0 | 0 | 0 | 109.7 | I102 V107 R108 | H100-I102 HydrophobicContact CB-CD1 4.23Å; H100-I102 PolarHBondContact O-N 3.38Å; H100-V107 WeakPolarHBondContact O-CA 3.35Å; H100-R108 HydrophobicContact CB-CB 4.47Å; H100-R108 PolarHBondContact N-O 2.92Å; H100-R108 PolarHBondContact O-N 2.95Å |
| 101 | H | 88.3 | Confident | 71.6 | Confident | 55 Ų | 55 | 68.2 Ų | 68.2 | 26% | 0.255 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 99.5 | 173.1 | -64.8 | -95.1 | 0 | 0 | 0 | 108.9 | R58 D94 V107 S126 | R58-H101 PolarHBondContact NH2-CE1 3.05Å; R58-H101 PolarHBondContact NH2-ND1 2.87Å; D94-H101 IonicContact OD2-CD2 2.74Å; D94-H101 PolarHBondContact OD2-CD2 3.39Å; D94-H101 VanDerWaalsContact OD2-CD2 3.29Å; D94-H101 IonicContact OD2-CG 3.74Å; D94-H101 IonicContact OD2-NE2 3.8Å; H101-V107 WeakPolarHBondContact ND1-CG2 3.39Å; H101-S126 PolarHBondContact CE1-O 2.86Å; H101-S126 PolarHBondContact NE2-O 2.77Å; H101-S126 VanDerWaalsContact NE2-O 3.15Å |
| 102 | I | 85.8 | Confident | 73.5 | Confident | 41 Ų | 41 | 65.5 Ų | 65.5 | 21% | 0.21 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -75.7 | -40 | -178.7 | -57.3 | -58.6 | 0 | 0 | 0 | 110.6 | V86 H100 Y106 R108 | V86-I102 HydrophobicContact CG1-CG2 3.05Å; H100-I102 HydrophobicContact CB-CD1 4.23Å; H100-I102 PolarHBondContact O-N 3.38Å; I102-Y106 HydrophobicContact CB-CD1 3.52Å; I102-Y106 HydrophobicContact CB-CE1 3.99Å; I102-Y106 HydrophobicContact CB-CG 4.15Å; I102-Y106 WeakPolarHBondContact CB-O 3.43Å; I102-Y106 HydrophobicContact CG1-CD1 3.92Å; I102-Y106 HydrophobicContact CG1-CE1 3.9Å; I102-Y106 HydrophobicContact CG2-CD1 3.53Å; I102-Y106 HydrophobicContact CG2-CE1 3.89Å; I102-Y106 PolarHBondContact N-O 3.02Å; I102-R108 HydrophobicContact CG1-CB 4.22Å |
| 103 | T | 88 | Confident | 75.4 | Confident | 55 Ų | 55 | 58.8 Ų | 58.8 | 34% | 0.337 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -141.9 | 178.2 | 168 | 69.4 | 0 | 0 | 0 | 0 | 109.2 | R105 Y106 | T103-R105 PolarHBondContact O-N 3.45Å; T103-R105 VanDerWaalsContact O-N 3.14Å; T103-R105 PolarHBondContact OG1-N 3.16Å; T103-R105 VanDerWaalsContact OG1-N 3.11Å; T103-Y106 PolarHBondContact N-O 3.4Å; T103-Y106 PolarHBondContact O-N 2.88Å; T103-Y106 WeakPolarHBondContact OG1-CB 3.41Å; T103-Y106 PolarHBondContact OG1-N 2.9Å |
| 104 | N | 87.9 | Confident | 77.2 | Confident | 125 Ų | 125 | 56.4 Ų | 56.4 | 67% | 0.668 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -64.5 | -10.8 | 170 | 68 | -23.9 | 0 | 0 | 0 | 113.8 | R58 | R58-N104 PolarHBondContact NH1-O 2.92Š|
| 105 | R | 91.6 | Very high | 79 | Confident | 70 Ų | 70 | 57.3 Ų | 57.3 | 26% | 0.264 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -114.9 | -24.8 | 176.5 | -66.1 | -179.2 | -172.1 | -110.4 | -2.2 | 112.9 | E53 I56 R58 F59 T103 | E53-R105 PolarHBondContact O-NH1 3.04Å; I56-R105 PolarHBondContact O-NH1 2.92Å; R58-R105 CarbonylContact C-O 3.56Å; R58-R105 WeakPolarHBondContact CA-O 3.13Å; F59-R105 PolarHBondContact N-O 2.85Å; T103-R105 PolarHBondContact O-N 3.45Å; T103-R105 VanDerWaalsContact O-N 3.14Å; T103-R105 PolarHBondContact OG1-N 3.16Å; T103-R105 VanDerWaalsContact OG1-N 3.11Å |
| 106 | Y | 92.4 | Very high | 80.2 | Confident | 16 Ų | 16 | 52.2 Ų | 52.2 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 121.5 | -174.6 | 178.4 | -141.6 | 0 | 0 | 0 | 111.3 | Y45 F59 E61 I102 T103 | Y45-Y106 HydrophobicContact CD1-CD1 4.02Å; Y45-Y106 HydrophobicContact CD1-CD2 4.45Å; Y45-Y106 HydrophobicContact CD1-CE1 4.48Å; Y45-Y106 HydrophobicContact CD1-CG 4.02Å; Y45-Y106 HydrophobicContact CD2-CD2 4.45Å; Y45-Y106 HydrophobicContact CD2-CG 4.46Å; Y45-Y106 HydrophobicContact CE1-CD1 4.1Å; Y45-Y106 HydrophobicContact CE1-CG 4.06Å; Y45-Y106 HydrophobicContact CE2-CG 4.46Å; Y45-Y106 HydrophobicContact CG-CD2 4.26Å; Y45-Y106 HydrophobicContact CG-CG 4.24Å; F59-Y106 HydrophobicContact CB-CD2 4.38Å; F59-Y106 AromaticContact CD1-CD2 3.73Å; F59-Y106 HydrophobicContact CD1-CD2 3.73Å; F59-Y106 AromaticContact CD1-CE2 3.86Å; F59-Y106 HydrophobicContact CD1-CE2 3.86Å; F59-Y106 HydrophobicContact CE1-CE2 4.26Å; F59-Y106 HydrophobicContact CG-CD2 4.45Å; F59-Y106 WeakPolarHBondContact O-CA 3.4Å; E61-Y106 HydrophobicContact CB-CE2 3.96Å; E61-Y106 PolarHBondContact OE2-OH 3.29Å; I102-Y106 HydrophobicContact CB-CD1 3.52Å; I102-Y106 HydrophobicContact CB-CE1 3.99Å; I102-Y106 HydrophobicContact CB-CG 4.15Å; I102-Y106 WeakPolarHBondContact CB-O 3.43Å; I102-Y106 HydrophobicContact CG1-CD1 3.92Å; I102-Y106 HydrophobicContact CG1-CE1 3.9Å; I102-Y106 HydrophobicContact CG2-CD1 3.53Å; I102-Y106 HydrophobicContact CG2-CE1 3.89Å; I102-Y106 PolarHBondContact N-O 3.02Å; T103-Y106 PolarHBondContact N-O 3.4Å; T103-Y106 PolarHBondContact O-N 2.88Å; T103-Y106 WeakPolarHBondContact OG1-CB 3.41Å; T103-Y106 PolarHBondContact OG1-N 2.9Å |
| 107 | V | 91.6 | Very high | 81.3 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 139.3 | 177.8 | -174.4 | 0 | 0 | 0 | 0 | 108.4 | R58 F59 V60 E61 V99 H100 H101 C127 | R58-V107 VanDerWaalsContact NH2-CG2 3.3Å; F59-V107 PolarHBondContact O-N 3.03Å; V60-V107 CarbonylContact C-O 3.56Å; V60-V107 WeakPolarHBondContact CA-O 3.22Å; V60-V107 HydrophobicContact CG2-CB 4.34Å; E61-V107 PolarHBondContact N-O 3.42Å; V99-V107 HydrophobicContact CG1-CG1 3.4Å; V99-V107 VanDerWaalsContact CG1-CG1 3.4Å; H100-V107 WeakPolarHBondContact O-CA 3.35Å; H101-V107 WeakPolarHBondContact ND1-CG2 3.39Å; V107-C127 HydrophobicContact CG1-CB 4.4Å |
| 108 | R | 88.4 | Confident | 82 | Confident | 65 Ų | 65 | 46.8 Ų | 46.8 | 25% | 0.245 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 129.3 | 170.5 | 178.5 | 175 | 167.8 | 149.7 | 0.7 | 108.3 | E61 I63 V99 H100 I102 | E61-R108 CarbonylContact O-C 3.53Å; E61-R108 WeakPolarHBondContact O-CA 3.29Å; I63-R108 HydrophobicContact CD1-CG 4.07Å; I63-R108 VanDerWaalsContact CD1-NH2 3.26Å; V99-R108 CarbonylContact C-O 3.58Å; H100-R108 HydrophobicContact CB-CB 4.47Å; H100-R108 PolarHBondContact N-O 2.92Å; H100-R108 PolarHBondContact O-N 2.95Å; I102-R108 HydrophobicContact CG1-CB 4.22Å |
| 109 | A | 87.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | E61 V62 I63 V99 L111 | E61-A109 PolarHBondContact O-N 3.01Å; V62-A109 CarbonylContact C-O 3.58Å; V62-A109 VanDerWaalsContact CA-O 3.31Å; V62-A109 WeakPolarHBondContact CA-O 3.48Å; I63-A109 PolarHBondContact N-O 3.29Å; V99-A109 HydrophobicContact CG1-CB 4.44Å; V99-A109 HydrophobicContact CG2-CB 3.99Å; A109-L111 HydrophobicContact CB-CD2 3.46Å; A109-L111 VanDerWaalsContact CB-CD2 3.46Å |
| 110 | E | 81.9 | Confident | 82.3 | Confident | 53 Ų | 53 | 47.2 Ų | 47.2 | 25% | 0.248 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 98.1 | -179.3 | -60.9 | -173.2 | 178.8 | 0 | 0 | 108.2 | L68 G98 | L68-E110 HydrophobicContact CD1-CG 4.36Å; L68-E110 VanDerWaalsContact CD1-OE1 3.29Å; L68-E110 WeakPolarHBondContact CD1-OE1 3.22Å; G98-E110 WeakPolarHBondContact O-CB 3.38Å; G98-E110 PolarHBondContact O-N 3.45Å |
| 111 | L | 76.6 | Confident | 82.2 | Confident | 19 Ų | 19 | 49.4 Ų | 49.4 | 10% | 0.099 | 26% | 0.255 | C | S | . | . | trans | -144.2 | 153.5 | -173.8 | 60 | 120.2 | 0 | 0 | 0 | 112.4 | V62 A109 V113 L119 V122 | V62-L111 HydrophobicContact CB-CD2 4.35Å; V62-L111 HydrophobicContact CG1-CD1 3.81Å; V62-L111 HydrophobicContact CG1-CD2 3.55Å; V62-L111 HydrophobicContact CG1-CG 3.46Å; V62-L111 VanDerWaalsContact CG1-CG 3.46Å; V62-L111 HydrophobicContact CG2-CD2 4.02Å; A109-L111 HydrophobicContact CB-CD2 3.46Å; A109-L111 VanDerWaalsContact CB-CD2 3.46Å; L111-V113 HydrophobicContact CD1-CG1 3.76Å; L111-V113 HydrophobicContact CG-CG1 4.46Å; L111-V113 PolarHBondContact O-N 2.89Å; L111-L119 HydrophobicContact CD1-CD1 3.36Å; L111-V122 HydrophobicContact CD2-CG1 3.98Å | ||
| 112 | N | 74.4 | Confident | 82.1 | Confident | 68 Ų | 68 | 47.4 Ų | 47.4 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | trans | -82.6 | 103.9 | 167.5 | -174.9 | 4.5 | 0 | 0 | 0 | 109.3 | F114 H115 | N112-F114 PolarHBondContact O-N 3.02Å; N112-F114 WeakPolarHBondContact OD1-CD2 3.43Å; N112-F114 PolarHBondContact OD1-N 2.94Å; N112-H115 PolarHBondContact ND2-CD2 3.09Å; N112-H115 VanDerWaalsContact ND2-CD2 3.33Å; N112-H115 PolarHBondContact ND2-NE2 3.35Å; N112-H115 PolarHBondContact O-N 2.77Å | ||
| 113 | V | 73.9 | Confident | 82.3 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -9.8 | -175.8 | -62.7 | 0 | 0 | 0 | 0 | 114.4 | I37 V62 L111 L119 I154 | I37-V113 HydrophobicContact CG2-CB 4.19Å; I37-V113 HydrophobicContact CG2-CG1 3.5Å; I37-V113 VanDerWaalsContact CG2-CG1 3.5Å; I37-V113 HydrophobicContact CG2-CG2 4.37Å; V62-V113 HydrophobicContact CG1-CG1 3.57Å; L111-V113 HydrophobicContact CD1-CG1 3.76Å; L111-V113 HydrophobicContact CG-CG1 4.46Å; L111-V113 PolarHBondContact O-N 2.89Å; V113-L119 HydrophobicContact CG1-CD1 4.41Å; V113-I154 VanDerWaalsContact O-CD1 3.29Å; V113-I154 WeakPolarHBondContact O-CD1 3.23Å |
| 114 | F | 70.7 | Confident | 82.4 | Confident | 25 Ų | 25 | 45.6 Ų | 45.6 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -4.4 | -178.1 | -59.3 | -66.5 | 0 | 0 | 0 | 114.1 | R64 N112 L116 L142 T146 E150 I154 | R64-F114 VanDerWaalsContact NH2-CD2 3.28Å; N112-F114 PolarHBondContact O-N 3.02Å; N112-F114 WeakPolarHBondContact OD1-CD2 3.43Å; N112-F114 PolarHBondContact OD1-N 2.94Å; F114-L116 PolarHBondContact O-N 2.87Å; F114-L142 HydrophobicContact CZ-CD2 4.41Å; F114-T146 HydrophobicContact CD1-CG2 4.39Å; F114-T146 VanDerWaalsContact CD1-OG1 3.25Å; F114-T146 WeakPolarHBondContact CD1-OG1 3.43Å; F114-T146 HydrophobicContact CE1-CG2 3.38Å; F114-T146 WeakPolarHBondContact CE1-OG1 3.47Å; F114-T146 HydrophobicContact CZ-CG2 3.52Å; F114-T146 WeakPolarHBondContact CZ-OG1 3.41Å; F114-E150 HydrophobicContact CD1-CB 3.84Å; F114-E150 HydrophobicContact CE1-CB 4.39Å; F114-I154 HydrophobicContact CD1-CD1 4.1Å; F114-I154 HydrophobicContact CE1-CD1 4.16Å |
| 115 | H | 76.4 | Confident | 82.4 | Confident | 102 Ų | 102 | 44 Ų | 44 | 47% | 0.472 | 23% | 0.232 | S | C | . | . | trans | -92.4 | 87.9 | 166.6 | -66.2 | -57.8 | 0 | 0 | 0 | 109.2 | N112 G117 E118 L119 | N112-H115 PolarHBondContact ND2-CD2 3.09Å; N112-H115 VanDerWaalsContact ND2-CD2 3.33Å; N112-H115 PolarHBondContact ND2-NE2 3.35Å; N112-H115 PolarHBondContact O-N 2.77Å; H115-G117 VanDerWaalsContact C-N 3.32Å; H115-G117 PolarHBondContact O-N 2.93Å; H115-E118 HydrophobicContact CB-CB 4.11Å; H115-E118 HydrophobicContact CB-CG 4.18Å; H115-E118 PolarHBondContact O-N 2.89Å; H115-E118 VanDerWaalsContact O-N 3.07Å; H115-L119 PolarHBondContact O-N 2.93Å | ||
| 116 | L | 70.4 | Confident | 82.3 | Confident | 33 Ų | 33 | 42.1 Ų | 42.1 | 17% | 0.173 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54.1 | -41.2 | -169.1 | -166.7 | 72.8 | 0 | 0 | 0 | 114.4 | F114 L119 V120 R153 I154 V157 | F114-L116 PolarHBondContact O-N 2.87Å; L116-L119 PolarHBondContact O-N 2.81Å; L116-V120 PolarHBondContact O-N 2.93Å; L116-R153 HydrophobicContact CD2-CB 4.4Å; L116-I154 HydrophobicContact CD1-CB 4.23Å; L116-I154 HydrophobicContact CD1-CG1 3.72Å; L116-V157 HydrophobicContact CD1-CB 4.3Å; L116-V157 HydrophobicContact CD1-CG2 4.33Å; L116-V157 HydrophobicContact CD2-CB 4.45Å; L116-V157 HydrophobicContact CD2-CG2 3.63Å; L116-V157 HydrophobicContact CG-CG2 4.25Å |
| 117 | G | 71.1 | Confident | 82.2 | Confident | 48 Ų | 48 | 41.4 Ų | 41.4 | 50% | 0.495 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.9 | -49.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | H115 L119 V120 D121 | H115-G117 VanDerWaalsContact C-N 3.32Å; H115-G117 PolarHBondContact O-N 2.93Å; G117-L119 VanDerWaalsContact C-N 3.34Å; G117-L119 PolarHBondContact O-N 3.34Å; G117-V120 PolarHBondContact O-N 3.19Å; G117-D121 WeakPolarHBondContact O-CB 3.47Å; G117-D121 VanDerWaalsContact O-CG 3.31Å; G117-D121 PolarHBondContact O-N 3.35Å; G117-D121 VanDerWaalsContact O-N 3.17Å |
| 118 | E | 77.3 | Confident | 82.3 | Confident | 119 Ų | 119 | 47 Ų | 47 | 56% | 0.556 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -64 | -37.7 | 176.8 | -63.7 | -178.6 | 176.3 | 0 | 0 | 112.3 | H115 V122 | H115-E118 HydrophobicContact CB-CB 4.11Å; H115-E118 HydrophobicContact CB-CG 4.18Å; H115-E118 PolarHBondContact O-N 2.89Å; H115-E118 VanDerWaalsContact O-N 3.07Å; E118-V122 WeakPolarHBondContact O-CB 3.08Å; E118-V122 WeakPolarHBondContact O-CG2 3.32Å; E118-V122 PolarHBondContact O-N 3.02Å |
| 119 | L | 82.7 | Confident | 82.5 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.4 | -51.6 | 179.6 | 174.3 | 65 | 0 | 0 | 0 | 111.4 | L111 V113 H115 L116 G117 L123 I154 | L111-L119 HydrophobicContact CD1-CD1 3.36Å; V113-L119 HydrophobicContact CG1-CD1 4.41Å; H115-L119 PolarHBondContact O-N 2.93Å; L116-L119 PolarHBondContact O-N 2.81Å; G117-L119 VanDerWaalsContact C-N 3.34Å; G117-L119 PolarHBondContact O-N 3.34Å; L119-L123 HydrophobicContact CD1-CD1 3.76Å; L119-L123 HydrophobicContact CD1-CG 4.09Å; L119-L123 HydrophobicContact CG-CD1 4.01Å; L119-L123 VanDerWaalsContact O-CB 3.29Å; L119-L123 WeakPolarHBondContact O-CB 3.48Å; L119-L123 WeakPolarHBondContact O-CG 3.38Å; L119-L123 PolarHBondContact O-N 3.2Å; L119-I154 HydrophobicContact CD2-CG1 4.34Å; L119-I154 HydrophobicContact CD2-CG2 4.12Å |
| 120 | V | 84.2 | Confident | 82.8 | Confident | 30 Ų | 30 | 47 Ų | 47 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67 | -43.4 | -177.5 | 175.5 | 0 | 0 | 0 | 0 | 110.6 | L116 G117 L123 M124 V157 T161 | L116-V120 PolarHBondContact O-N 2.93Å; G117-V120 PolarHBondContact O-N 3.19Å; V120-L123 PolarHBondContact O-N 2.79Å; V120-M124 HydrophobicContact CG1-CG 4.2Å; V120-M124 WeakPolarHBondContact O-CB 3.33Å; V120-M124 WeakPolarHBondContact O-CG 3.49Å; V120-M124 PolarHBondContact O-N 3.25Å; V120-V157 HydrophobicContact CG2-CG1 3.73Å; V120-T161 HydrophobicContact CG1-CG2 3.87Å |
| 121 | D | 84.6 | Confident | 83.3 | Confident | 103 Ų | 103 | 45.8 Ų | 45.8 | 55% | 0.551 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63.4 | -45.4 | 179.7 | -71.6 | -17.7 | 0 | 0 | 0 | 111.5 | G117 L123 M124 C125 | G117-D121 WeakPolarHBondContact O-CB 3.47Å; G117-D121 VanDerWaalsContact O-CG 3.31Å; G117-D121 PolarHBondContact O-N 3.35Å; G117-D121 VanDerWaalsContact O-N 3.17Å; D121-L123 VanDerWaalsContact C-N 3.35Å; D121-L123 PolarHBondContact O-N 2.78Å; D121-M124 PolarHBondContact O-N 2.91Å; D121-C125 WeakPolarHBondContact O-CA 3.42Å; D121-C125 WeakPolarHBondContact O-CB 3.49Å; D121-C125 PolarHBondContact O-N 2.99Å |
| 122 | V | 87.7 | Confident | 84 | Confident | 12 Ų | 12 | 47.4 Ų | 47.4 | 7% | 0.073 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -64.7 | -40 | 177.1 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | H97 V99 L111 E118 S126 C127 | H97-V122 HydrophobicContact CB-CG2 4.47Å; V99-V122 HydrophobicContact CG2-CG1 3.76Å; L111-V122 HydrophobicContact CD2-CG1 3.98Å; E118-V122 WeakPolarHBondContact O-CB 3.08Å; E118-V122 WeakPolarHBondContact O-CG2 3.32Å; E118-V122 PolarHBondContact O-N 3.02Å; V122-S126 CarbonylContact O-C 3.59Å; V122-S126 WeakPolarHBondContact O-CA 3.41Å; V122-S126 WeakPolarHBondContact O-CB 3.27Å; V122-S126 PolarHBondContact O-N 2.83Å; V122-S126 VanDerWaalsContact O-N 3.11Å; V122-C127 PolarHBondContact O-N 2.94Å; V122-C127 PolarHBondContact O-SG 3.18Å; V122-C127 VanDerWaalsContact O-SG 3.38Å |
| 123 | L | 89.8 | Confident | 85 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -66.7 | -44.7 | 178.3 | -75.9 | 178.7 | 0 | 0 | 0 | 112.1 | V35 V60 V62 L119 V120 D121 C127 K128 L129 F137 | V35-L123 HydrophobicContact CG1-CD2 3.98Å; V60-L123 HydrophobicContact CG1-CD2 4.11Å; V62-L123 HydrophobicContact CG2-CD2 4.4Å; L119-L123 HydrophobicContact CD1-CD1 3.76Å; L119-L123 HydrophobicContact CD1-CG 4.09Å; L119-L123 HydrophobicContact CG-CD1 4.01Å; L119-L123 VanDerWaalsContact O-CB 3.29Å; L119-L123 WeakPolarHBondContact O-CB 3.48Å; L119-L123 WeakPolarHBondContact O-CG 3.38Å; L119-L123 PolarHBondContact O-N 3.2Å; V120-L123 PolarHBondContact O-N 2.79Å; D121-L123 VanDerWaalsContact C-N 3.35Å; D121-L123 PolarHBondContact O-N 2.78Å; L123-C127 WeakPolarHBondContact O-CB 3.39Å; L123-K128 PolarHBondContact O-N 2.76Å; L123-L129 HydrophobicContact CB-CD1 4.07Å; L123-L129 HydrophobicContact CD2-CD1 4.03Å; L123-L129 HydrophobicContact CG-CD1 4.49Å; L123-L129 VanDerWaalsContact O-CB 3.3Å; L123-L129 WeakPolarHBondContact O-CB 3.26Å; L123-L129 WeakPolarHBondContact O-CG 3.22Å; L123-L129 PolarHBondContact O-N 2.87Å; L123-L129 VanDerWaalsContact O-N 3.09Å; L123-F137 HydrophobicContact CD1-CE1 4.16Å |
| 124 | M | 89.6 | Confident | 86 | Confident | 55 Ų | 55 | 45.5 Ų | 45.5 | 27% | 0.271 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -77.1 | -50.6 | -177.2 | -68.8 | -62.2 | -68.1 | 0 | 0 | 111.9 | V120 D121 K128 L129 A131 T161 F162 | V120-M124 HydrophobicContact CG1-CG 4.2Å; V120-M124 WeakPolarHBondContact O-CB 3.33Å; V120-M124 WeakPolarHBondContact O-CG 3.49Å; V120-M124 PolarHBondContact O-N 3.25Å; D121-M124 PolarHBondContact O-N 2.91Å; M124-K128 WeakPolarHBondContact O-CA 3.27Å; M124-K128 PolarHBondContact O-N 2.82Å; M124-L129 HydrophobicContact SD-CB 4.2Å; M124-A131 HydrophobicContact CE-CB 4.14Å; M124-T161 HydrophobicContact CG-CG2 4.39Å; M124-T161 HydrophobicContact SD-CG2 4.34Å; M124-F162 HydrophobicContact SD-CE1 3.74Å; M124-F162 HydrophobicContact SD-CZ 3.6Å |
| 125 | C | 88.8 | Confident | 87.2 | Confident | 92 Ų | 92 | 44.3 Ų | 44.3 | 62% | 0.622 | 27% | 0.266 | S | S | * | . | I | π-helix | trans | -83 | -56.2 | -173.1 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | D121 | D121-C125 WeakPolarHBondContact O-CA 3.42Å; D121-C125 WeakPolarHBondContact O-CB 3.49Å; D121-C125 PolarHBondContact O-N 2.99Å |
| 126 | S | 89.4 | Confident | 88.1 | Confident | 30 Ų | 30 | 39.5 Ų | 39.5 | 21% | 0.21 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -80.8 | -41.6 | -171.6 | -52.3 | 0 | 0 | 0 | 0 | 112.7 | H101 V122 K128 | H101-S126 PolarHBondContact CE1-O 2.86Å; H101-S126 PolarHBondContact NE2-O 2.77Å; H101-S126 VanDerWaalsContact NE2-O 3.15Å; V122-S126 CarbonylContact O-C 3.59Å; V122-S126 WeakPolarHBondContact O-CA 3.41Å; V122-S126 WeakPolarHBondContact O-CB 3.27Å; V122-S126 PolarHBondContact O-N 2.83Å; V122-S126 VanDerWaalsContact O-N 3.11Å; S126-K128 VanDerWaalsContact C-N 3.29Å |
| 127 | C | 90.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -81.5 | -12.3 | 177.8 | -57.1 | 0 | 0 | 0 | 0 | 112.8 | R58 V60 V107 V122 L123 L129 | R58-C127 PolarHBondContact NE-O 3.33Å; R58-C127 PolarHBondContact NH2-O 2.64Å; V60-C127 HydrophobicContact CG1-CB 4.2Å; V60-C127 HydrophobicContact CG2-CB 3.9Å; V107-C127 HydrophobicContact CG1-CB 4.4Å; V122-C127 PolarHBondContact O-N 2.94Å; V122-C127 PolarHBondContact O-SG 3.18Å; V122-C127 VanDerWaalsContact O-SG 3.38Å; L123-C127 WeakPolarHBondContact O-CB 3.39Å; C127-L129 HydrophobicContact CB-CG 4.45Å |
| 128 | K | 92.1 | Very high | 90 | Very high | 119 Ų | 119 | 35.7 Ų | 35.7 | 52% | 0.517 | 21% | 0.212 | S | C | . | . | trans | 61.8 | 41.9 | 179.9 | -54.3 | 177 | 179.5 | 170.3 | 0 | 112.4 | L123 M124 S126 | L123-K128 PolarHBondContact O-N 2.76Å; M124-K128 WeakPolarHBondContact O-CA 3.27Å; M124-K128 PolarHBondContact O-N 2.82Å; S126-K128 VanDerWaalsContact C-N 3.29Å | ||
| 129 | L | 93.6 | Very high | 90.4 | Very high | 9 Ų | 9 | 30 Ų | 30 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | trans | -75.1 | 162.5 | 168.9 | -63.1 | -173.1 | 0 | 0 | 0 | 111 | Q33 V35 R58 V60 L123 M124 C127 F162 | Q33-L129 HydrophobicContact CB-CD2 4.14Å; Q33-L129 HydrophobicContact CG-CD2 3.97Å; V35-L129 HydrophobicContact CG2-CD1 3.5Å; R58-L129 HydrophobicContact CB-CD2 4Å; R58-L129 HydrophobicContact CG-CD2 3.96Å; V60-L129 HydrophobicContact CG2-CD1 4.39Å; V60-L129 HydrophobicContact CG2-CD2 3.77Å; V60-L129 HydrophobicContact CG2-CG 4.23Å; L123-L129 HydrophobicContact CB-CD1 4.07Å; L123-L129 HydrophobicContact CD2-CD1 4.03Å; L123-L129 HydrophobicContact CG-CD1 4.49Å; L123-L129 VanDerWaalsContact O-CB 3.3Å; L123-L129 WeakPolarHBondContact O-CB 3.26Å; L123-L129 WeakPolarHBondContact O-CG 3.22Å; L123-L129 PolarHBondContact O-N 2.87Å; L123-L129 VanDerWaalsContact O-N 3.09Å; M124-L129 HydrophobicContact SD-CB 4.2Å; C127-L129 HydrophobicContact CB-CG 4.45Å; L129-F162 HydrophobicContact CB-CE1 4.09Å; L129-F162 HydrophobicContact CB-CZ 4.34Å; L129-F162 HydrophobicContact CD1-CE1 4.37Å; L129-F162 HydrophobicContact CD1-CZ 4.19Å | ||
| 130 | S | 93.6 | Very high | 90.2 | Very high | 54 Ų | 54 | 29.7 Ų | 29.7 | 38% | 0.378 | 18% | 0.183 | S | C | . | . | trans | -137.1 | 124.6 | -175.8 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | Q33 G132 V133 | Q33-S130 PolarHBondContact OE1-O 2.84Å; S130-G132 PolarHBondContact O-N 3.24Å; S130-G132 VanDerWaalsContact O-N 3.12Å; S130-V133 PolarHBondContact O-N 3.24Å; S130-V133 VanDerWaalsContact O-N 3.09Å | ||
| 131 | A | 91.3 | Very high | 89.6 | Confident | 29 Ų | 29 | 28.6 Ų | 28.6 | 24% | 0.24 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -27.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | M124 T161 L163 | M124-A131 HydrophobicContact CE-CB 4.14Å; A131-T161 WeakPolarHBondContact CB-O 3.31Å; A131-L163 PolarHBondContact O-N 2.74Å; A131-L163 VanDerWaalsContact O-N 3.15Å |
| 132 | G | 92 | Very high | 88.9 | Confident | 52 Ų | 52 | 24 Ų | 24 | 54% | 0.536 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -12 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | S130 | S130-G132 PolarHBondContact O-N 3.24Å; S130-G132 VanDerWaalsContact O-N 3.12Å |
| 133 | V | 94.3 | Very high | 87.8 | Confident | 27 Ų | 27 | 26.7 Ų | 26.7 | 16% | 0.164 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -87.5 | 138.7 | 178.4 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | P31 Q33 S130 T135 | P31-V133 VanDerWaalsContact O-CG1 3.3Å; P31-V133 WeakPolarHBondContact O-CG1 3.35Å; Q33-V133 HydrophobicContact CG-CB 4.15Å; Q33-V133 HydrophobicContact CG-CG1 3.7Å; S130-V133 PolarHBondContact O-N 3.24Å; S130-V133 VanDerWaalsContact O-N 3.09Å; V133-T135 PolarHBondContact O-N 2.67Å; V133-T135 PolarHBondContact O-OG1 3.39Å; V133-T135 VanDerWaalsContact O-OG1 3.05Å |
| 134 | P | 95.8 | Very high | 86.5 | Confident | 5 Ų | 5 | 29.9 Ų | 29.9 | 3% | 0.032 | 18% | 0.181 | C | C | . | . | trans | -60.5 | 125.9 | 176.5 | -24 | 34.3 | 0 | 0 | 0 | 111.7 | F24 V30 V32 Q33 K164 | F24-P134 HydrophobicContact CE1-CB 4.35Å; F24-P134 HydrophobicContact CZ-CB 3.95Å; V30-P134 HydrophobicContact CG2-CG 3.95Å; V32-P134 WeakPolarHBondContact CA-O 3.31Å; V32-P134 WeakPolarHBondContact CB-O 3.44Å; V32-P134 HydrophobicContact CG1-CB 4.19Å; Q33-P134 PolarHBondContact N-O 2.88Å; P134-K164 CarbonylContact C-O 3.55Å; P134-K164 WeakPolarHBondContact CA-O 3.49Å; P134-K164 HydrophobicContact CB-CB 4.3Å; P134-K164 HydrophobicContact CG-CB 4.4Å; P134-K164 HydrophobicContact CG-CD 4.37Å | ||
| 135 | T | 95.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126.5 | -172.3 | -53.9 | 0 | 0 | 0 | 0 | 112.1 | Q33 V35 V133 F137 F162 K164 C165 A166 | Q33-T135 HydrophobicContact CB-CG2 3.85Å; Q33-T135 CarbonylContact O-C 3.5Å; Q33-T135 WeakPolarHBondContact O-CA 3.4Å; Q33-T135 PolarHBondContact OE1-OG1 3.16Å; Q33-T135 VanDerWaalsContact OE1-OG1 3.05Å; V35-T135 HydrophobicContact CG2-CG2 3.89Å; V133-T135 PolarHBondContact O-N 2.67Å; V133-T135 PolarHBondContact O-OG1 3.39Å; V133-T135 VanDerWaalsContact O-OG1 3.05Å; T135-F137 HydrophobicContact CG2-CD2 4.01Å; T135-F137 HydrophobicContact CG2-CE1 4.44Å; T135-F137 HydrophobicContact CG2-CE2 3.38Å; T135-F137 HydrophobicContact CG2-CZ 3.62Å; T135-F162 HydrophobicContact CG2-CD1 4.36Å; T135-F162 HydrophobicContact CG2-CE1 4.49Å; T135-K164 PolarHBondContact N-O 3.4Å; T135-C165 CarbonylContact O-C 3.58Å; T135-C165 WeakPolarHBondContact O-CA 3.33Å; T135-A166 PolarHBondContact O-N 3.34Å |
| 136 | L | 94.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 121.7 | 172.6 | 174.8 | 65.5 | 0 | 0 | 0 | 110.2 | A21 F24 Q33 I34 V35 L138 A166 V168 Y209 | A21-L136 HydrophobicContact CB-CD2 3.98Å; F24-L136 HydrophobicContact CB-CD2 3.94Å; F24-L136 HydrophobicContact CD1-CB 3.6Å; F24-L136 HydrophobicContact CD1-CD2 4.25Å; F24-L136 HydrophobicContact CD1-CG 4.48Å; F24-L136 HydrophobicContact CD2-CB 4.28Å; F24-L136 HydrophobicContact CD2-CD1 4.47Å; F24-L136 HydrophobicContact CE1-CB 3.62Å; F24-L136 HydrophobicContact CE2-CB 4.33Å; F24-L136 HydrophobicContact CG-CB 3.93Å; F24-L136 HydrophobicContact CG-CD2 4.13Å; F24-L136 HydrophobicContact CG-CG 4.44Å; F24-L136 HydrophobicContact CZ-CB 4.02Å; Q33-L136 PolarHBondContact O-N 2.96Å; I34-L136 CarbonylContact C-O 3.56Å; I34-L136 WeakPolarHBondContact CA-O 3.26Å; I34-L136 HydrophobicContact CG1-CB 4.48Å; V35-L136 PolarHBondContact N-O 3.03Å; L136-L138 HydrophobicContact CD1-CD2 3.99Å; L136-L138 HydrophobicContact CD2-CD1 4.38Å; L136-L138 HydrophobicContact CD2-CD2 3.88Å; L136-L138 HydrophobicContact CD2-CG 4.19Å; L136-L138 HydrophobicContact CG-CD2 3.83Å; L136-L138 HydrophobicContact CG-CG 4.07Å; L136-A166 CarbonylContact C-O 3.48Å; L136-A166 WeakPolarHBondContact CA-O 3.38Å; L136-A166 HydrophobicContact CD1-CB 3.71Å; L136-V168 HydrophobicContact CD1-CG2 3.99Å; L136-Y209 HydrophobicContact CD1-CE1 4.5Å |
| 137 | F | 92.6 | Very high | 83.1 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.009 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 127.2 | 171.1 | -65.7 | -92.6 | 0 | 0 | 0 | 109.9 | V35 I37 L123 T135 F139 I158 F162 C165 A166 V167 V168 | V35-F137 HydrophobicContact CB-CD1 3.69Å; V35-F137 HydrophobicContact CB-CE1 3.85Å; V35-F137 HydrophobicContact CB-CG 4.42Å; V35-F137 HydrophobicContact CG1-CD1 3.96Å; V35-F137 HydrophobicContact CG1-CE1 4.01Å; V35-F137 HydrophobicContact CG2-CD1 4.14Å; V35-F137 HydrophobicContact CG2-CE1 3.81Å; V35-F137 HydrophobicContact CG2-CZ 4.26Å; V35-F137 CarbonylContact O-C 3.52Å; V35-F137 WeakPolarHBondContact O-CA 3.3Å; I37-F137 HydrophobicContact CD1-CD1 4.3Å; L123-F137 HydrophobicContact CD1-CE1 4.16Å; T135-F137 HydrophobicContact CG2-CD2 4.01Å; T135-F137 HydrophobicContact CG2-CE1 4.44Å; T135-F137 HydrophobicContact CG2-CE2 3.38Å; T135-F137 HydrophobicContact CG2-CZ 3.62Å; F137-F139 HydrophobicContact CB-CD2 4.31Å; F137-F139 HydrophobicContact CB-CE2 3.69Å; F137-F139 HydrophobicContact CB-CZ 4.32Å; F137-I158 HydrophobicContact CB-CD1 4.43Å; F137-I158 HydrophobicContact CD1-CD1 4.03Å; F137-I158 HydrophobicContact CD2-CD1 4.27Å; F137-I158 HydrophobicContact CD2-CG2 3.64Å; F137-I158 HydrophobicContact CE1-CD1 4.39Å; F137-I158 HydrophobicContact CE1-CG1 4.47Å; F137-I158 HydrophobicContact CE2-CG1 4.43Å; F137-I158 HydrophobicContact CE2-CG2 3.58Å; F137-I158 HydrophobicContact CG-CD1 3.98Å; F137-I158 HydrophobicContact CG-CG2 4.4Å; F137-I158 HydrophobicContact CZ-CG1 4.41Å; F137-I158 HydrophobicContact CZ-CG2 4.3Å; F137-F162 HydrophobicContact CE1-CE2 4.43Å; F137-F162 AromaticContact CE2-CD2 3.85Å; F137-F162 HydrophobicContact CE2-CD2 3.85Å; F137-F162 HydrophobicContact CE2-CE2 4.21Å; F137-F162 HydrophobicContact CE2-CG 4.14Å; F137-F162 AromaticContact CZ-CD2 3.61Å; F137-F162 HydrophobicContact CZ-CD2 3.61Å; F137-F162 HydrophobicContact CZ-CE1 4.47Å; F137-F162 AromaticContact CZ-CE2 3.49Å; F137-F162 HydrophobicContact CZ-CE2 3.49Å; F137-F162 VanDerWaalsContact CZ-CE2 3.49Å; F137-F162 HydrophobicContact CZ-CG 4.19Å; F137-F162 AromaticContact CZ-CZ 3.95Å; F137-F162 HydrophobicContact CZ-CZ 3.95Å; F137-C165 HydrophobicContact CE2-CB 4.43Å; F137-A166 PolarHBondContact N-O 3.37Å; F137-V167 HydrophobicContact CB-CG1 4.45Å; F137-V167 HydrophobicContact CB-CG2 4.22Å; F137-V167 CarbonylContact O-C 3.55Å; F137-V167 WeakPolarHBondContact O-CA 3.23Å; F137-V168 PolarHBondContact O-N 2.84Å |
| 138 | L | 90.5 | Very high | 82.2 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 113.3 | 178.2 | -60.8 | 178.6 | 0 | 0 | 0 | 108.6 | I17 I34 V35 V36 I37 I41 L44 L136 V168 | I17-L138 HydrophobicContact CG2-CD1 3.82Å; I34-L138 HydrophobicContact CG2-CD1 4.08Å; V35-L138 PolarHBondContact O-N 3.05Å; V36-L138 HydrophobicContact CG2-CB 4.3Å; V36-L138 HydrophobicContact CG2-CD1 4Å; I37-L138 PolarHBondContact N-O 3.06Å; I41-L138 HydrophobicContact CD1-CB 4.3Å; L44-L138 HydrophobicContact CD2-CD1 3.52Å; L136-L138 HydrophobicContact CD1-CD2 3.99Å; L136-L138 HydrophobicContact CD2-CD1 4.38Å; L136-L138 HydrophobicContact CD2-CD2 3.88Å; L136-L138 HydrophobicContact CD2-CG 4.19Å; L136-L138 HydrophobicContact CG-CD2 3.83Å; L136-L138 HydrophobicContact CG-CG 4.07Å; L138-V168 CarbonylContact C-O 3.55Å; L138-V168 WeakPolarHBondContact CA-O 3.45Å; L138-V168 HydrophobicContact CD2-CB 3.68Å; L138-V168 HydrophobicContact CD2-CG1 4.39Å; L138-V168 HydrophobicContact CD2-CG2 4.04Å |
| 139 | F | 84.8 | Confident | 81.1 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 137.3 | 178.2 | -65 | -80.2 | 0 | 0 | 0 | 110.1 | I37 F137 L142 I154 L155 I158 V167 V168 I169 Q170 | I37-F139 HydrophobicContact CB-CD1 3.69Å; I37-F139 HydrophobicContact CB-CE1 3.87Å; I37-F139 HydrophobicContact CD1-CD1 4.06Å; I37-F139 HydrophobicContact CD1-CE1 3.33Å; I37-F139 HydrophobicContact CD1-CZ 3.74Å; I37-F139 HydrophobicContact CG1-CD1 4.39Å; I37-F139 HydrophobicContact CG1-CE1 4.12Å; I37-F139 HydrophobicContact CG2-CD1 3.96Å; I37-F139 HydrophobicContact CG2-CE1 4.03Å; F137-F139 HydrophobicContact CB-CD2 4.31Å; F137-F139 HydrophobicContact CB-CE2 3.69Å; F137-F139 HydrophobicContact CB-CZ 4.32Å; F139-L142 HydrophobicContact CB-CD1 4.25Å; F139-L142 HydrophobicContact CD1-CD1 3.32Å; F139-L142 HydrophobicContact CD1-CG 4.4Å; F139-L142 HydrophobicContact CE1-CD1 3.97Å; F139-L142 HydrophobicContact CG-CD1 4.18Å; F139-I154 HydrophobicContact CE1-CG2 4.21Å; F139-I154 HydrophobicContact CZ-CG2 3.87Å; F139-L155 HydrophobicContact CE2-CD2 4.16Å; F139-I158 HydrophobicContact CE2-CD1 3.87Å; F139-I158 HydrophobicContact CZ-CD1 3.68Å; F139-V167 HydrophobicContact CD2-CG1 3.49Å; F139-V167 VanDerWaalsContact CD2-CG1 3.49Å; F139-V167 HydrophobicContact CE2-CG1 3.5Å; F139-V168 PolarHBondContact N-O 2.98Å; F139-I169 HydrophobicContact CB-CB 4.27Å; F139-I169 HydrophobicContact CB-CG1 4.28Å; F139-I169 HydrophobicContact CB-CG2 3.86Å; F139-I169 HydrophobicContact CD2-CG1 4.11Å; F139-Q170 PolarHBondContact O-N 3.08Å |
| 140 | G | 78.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 122.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I37 S38 L142 Q170 | I37-G140 PolarHBondContact O-N 3.08Å; S38-G140 WeakPolarHBondContact CB-O 3.24Å; S38-G140 PolarHBondContact OG-O 3.05Å; G140-L142 VanDerWaalsContact C-N 3.26Å; G140-L142 PolarHBondContact O-N 2.81Å; G140-Q170 CarbonylContact C-O 3.58Å |
| 141 | D | 71.6 | Confident | 79.4 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.037 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 48.9 | 41.4 | 173.6 | -45.8 | -35.7 | 0 | 0 | 0 | 113.1 | Y145 Q170 E171 R176 | D141-Y145 WeakPolarHBondContact O-CD2 3.31Å; D141-Y145 WeakPolarHBondContact O-CE2 3.36Å; D141-Q170 PolarHBondContact N-O 2.97Å; D141-Q170 PolarHBondContact OD1-NE2 2.61Å; D141-E171 WeakPolarHBondContact CA-OE2 3.4Å; D141-R176 IonicContact OD2-CZ 3.7Å; D141-R176 IonicContact OD2-NE 2.97Å; D141-R176 IonicContact OD2-NH2 2.64Å; D141-R176 PolarHBondContact OD2-NH2 2.87Å |
| 142 | L | 70.1 | Confident | 78.9 | Confident | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | trans | -78.6 | -34.2 | -176.5 | -77.8 | -172 | 0 | 0 | 0 | 112.3 | I37 F114 F139 G140 E144 Y145 T146 L151 E171 | I37-L142 HydrophobicContact CG2-CD1 4.25Å; F114-L142 HydrophobicContact CZ-CD2 4.41Å; F139-L142 HydrophobicContact CB-CD1 4.25Å; F139-L142 HydrophobicContact CD1-CD1 3.32Å; F139-L142 HydrophobicContact CD1-CG 4.4Å; F139-L142 HydrophobicContact CE1-CD1 3.97Å; F139-L142 HydrophobicContact CG-CD1 4.18Å; G140-L142 VanDerWaalsContact C-N 3.26Å; G140-L142 PolarHBondContact O-N 2.81Å; L142-E144 PolarHBondContact O-N 2.73Å; L142-Y145 PolarHBondContact O-N 3.03Å; L142-T146 VanDerWaalsContact O-CG2 3.27Å; L142-T146 WeakPolarHBondContact O-CG2 3.47Å; L142-T146 PolarHBondContact O-N 2.97Å; L142-L151 HydrophobicContact CD1-CD1 4.14Å; L142-E171 PolarHBondContact N-OE1 2.92Å; L142-E171 PolarHBondContact N-OE2 2.93Å | ||
| 143 | L | 64.2 | Low | 78.4 | Confident | 70 Ų | 70 | 43.9 Ų | 43.9 | 37% | 0.366 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -65.8 | -18.8 | 179.8 | -67.1 | 177.7 | 0 | 0 | 0 | 113 | Y145 T146 V148 L151 E171 | L143-Y145 PolarHBondContact O-N 3.46Å; L143-T146 HydrophobicContact CD2-CG2 4.44Å; L143-V148 HydrophobicContact CD2-CB 4.38Å; L143-L151 HydrophobicContact CD1-CD2 4.3Å; L143-L151 HydrophobicContact CD2-CB 4.08Å; L143-L151 HydrophobicContact CD2-CD2 3.58Å; L143-L151 HydrophobicContact CD2-CG 4.49Å; L143-L151 HydrophobicContact CG-CD2 3.77Å; L143-E171 HydrophobicContact CB-CG 4.47Å; L143-E171 WeakPolarHBondContact CB-OE2 3.47Å; L143-E171 HydrophobicContact CD1-CB 4.44Å; L143-E171 HydrophobicContact CD1-CG 3.79Å; L143-E171 HydrophobicContact CG-CG 4.07Å; L143-E171 PolarHBondContact N-OE1 2.76Å; L143-E171 PolarHBondContact N-OE2 2.88Å; L143-E171 VanDerWaalsContact N-OE2 3.07Å |
| 144 | E | 62.1 | Low | 77.9 | Confident | 71 Ų | 71 | 42.8 Ų | 42.8 | 33% | 0.332 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -63.5 | -21.7 | 171.1 | -170.8 | 176 | -156.6 | 0 | 0 | 111.6 | L142 R176 | L142-E144 PolarHBondContact O-N 2.73Å; E144-R176 IonicContact OE2-NE 3.95Å |
| 145 | Y | 63 | Low | 77.4 | Confident | 102 Ų | 102 | 45.1 Ų | 45.1 | 40% | 0.4 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -131.2 | 13.9 | -171.2 | -42.2 | -87.2 | 0 | 0 | 0 | 115 | R64 D141 L142 L143 | R64-Y145 PolarHBondContact NH2-O 2.83Å; D141-Y145 WeakPolarHBondContact O-CD2 3.31Å; D141-Y145 WeakPolarHBondContact O-CE2 3.36Å; L142-Y145 PolarHBondContact O-N 3.03Å; L143-Y145 PolarHBondContact O-N 3.46Å |
| 146 | T | 66.4 | Low | 76.9 | Confident | 31 Ų | 31 | 51.1 Ų | 51.1 | 19% | 0.19 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -153.8 | 163.3 | 179.8 | -159.9 | 0 | 0 | 0 | 0 | 111.8 | F114 L142 L143 | F114-T146 HydrophobicContact CD1-CG2 4.39Å; F114-T146 VanDerWaalsContact CD1-OG1 3.25Å; F114-T146 WeakPolarHBondContact CD1-OG1 3.43Å; F114-T146 HydrophobicContact CE1-CG2 3.38Å; F114-T146 WeakPolarHBondContact CE1-OG1 3.47Å; F114-T146 HydrophobicContact CZ-CG2 3.52Å; F114-T146 WeakPolarHBondContact CZ-OG1 3.41Å; L142-T146 VanDerWaalsContact O-CG2 3.27Å; L142-T146 WeakPolarHBondContact O-CG2 3.47Å; L142-T146 PolarHBondContact O-N 2.97Å; L143-T146 HydrophobicContact CD2-CG2 4.44Å |
| 147 | H | 67.7 | Low | 76.6 | Confident | 111 Ų | 111 | 52.9 Ų | 52.9 | 51% | 0.514 | 25% | 0.251 | S | S | . | . | trans | -79.9 | 146.3 | 174.8 | -163.6 | -84.6 | 0 | 0 | 0 | 111 | Y149 E150 L151 | H147-Y149 AromaticContact CE1-CD2 3.1Å; H147-Y149 WeakPolarHBondContact CE1-CD2 3.09Å; H147-Y149 AromaticContact CE1-CE2 3.51Å; H147-Y149 AromaticContact ND1-CD2 3.21Å; H147-Y149 WeakPolarHBondContact ND1-CD2 3.36Å; H147-Y149 AromaticContact ND1-CG 3.77Å; H147-Y149 PolarHBondContact ND1-N 3.32Å; H147-Y149 PolarHBondContact O-N 3.16Å; H147-E150 PolarHBondContact O-N 3.09Å; H147-L151 PolarHBondContact O-N 2.8Å | ||
| 148 | V | 70.5 | Confident | 76.5 | Confident | 79 Ų | 79 | 53.3 Ų | 53.3 | 48% | 0.479 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -54.7 | -38.6 | -178.7 | 65.9 | 0 | 0 | 0 | 0 | 112.8 | L143 E150 L151 S152 | L143-V148 HydrophobicContact CD2-CB 4.38Å; V148-E150 VanDerWaalsContact C-N 3.33Å; V148-E150 PolarHBondContact O-N 3.15Å; V148-L151 PolarHBondContact O-N 2.97Å; V148-S152 PolarHBondContact O-N 3.34Å; V148-S152 PolarHBondContact O-OG 3.28Å |
| 149 | Y | 70.4 | Confident | 76.3 | Confident | 170 Ų | 170 | 56.5 Ų | 56.5 | 67% | 0.667 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -57.8 | -40.5 | 177 | -71.4 | -58 | 0 | 0 | 0 | 113.4 | H147 S152 R153 | H147-Y149 AromaticContact CE1-CD2 3.1Å; H147-Y149 WeakPolarHBondContact CE1-CD2 3.09Å; H147-Y149 AromaticContact CE1-CE2 3.51Å; H147-Y149 AromaticContact ND1-CD2 3.21Å; H147-Y149 WeakPolarHBondContact ND1-CD2 3.36Å; H147-Y149 AromaticContact ND1-CG 3.77Å; H147-Y149 PolarHBondContact ND1-N 3.32Å; H147-Y149 PolarHBondContact O-N 3.16Å; Y149-S152 PolarHBondContact O-N 2.9Å; Y149-R153 WeakPolarHBondContact O-CG 3.41Å; Y149-R153 PolarHBondContact O-N 3.25Å |
| 150 | E | 73.8 | Confident | 76.5 | Confident | 58 Ų | 58 | 63.2 Ų | 63.2 | 27% | 0.271 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.9 | -38.4 | -179.2 | -68.7 | -58 | 147.3 | 0 | 0 | 111.6 | F114 H147 V148 R153 I154 | F114-E150 HydrophobicContact CD1-CB 3.84Å; F114-E150 HydrophobicContact CE1-CB 4.39Å; H147-E150 PolarHBondContact O-N 3.09Å; V148-E150 VanDerWaalsContact C-N 3.33Å; V148-E150 PolarHBondContact O-N 3.15Å; E150-R153 PolarHBondContact O-N 3Å; E150-R153 IonicContact OE1-NH1 3.8Å; E150-R153 IonicContact OE2-NH1 3.89Å; E150-I154 WeakPolarHBondContact O-CG1 3.32Å; E150-I154 PolarHBondContact O-N 2.91Å |
| 151 | L | 78.1 | Confident | 77.1 | Confident | 9 Ų | 9 | 64.8 Ų | 64.8 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 172.2 | -177.4 | 61.7 | 0 | 0 | 0 | 110.9 | L142 L143 H147 V148 R153 I154 L155 I169 | L142-L151 HydrophobicContact CD1-CD1 4.14Å; L143-L151 HydrophobicContact CD1-CD2 4.3Å; L143-L151 HydrophobicContact CD2-CB 4.08Å; L143-L151 HydrophobicContact CD2-CD2 3.58Å; L143-L151 HydrophobicContact CD2-CG 4.49Å; L143-L151 HydrophobicContact CG-CD2 3.77Å; H147-L151 PolarHBondContact O-N 2.8Å; V148-L151 PolarHBondContact O-N 2.97Å; L151-R153 VanDerWaalsContact C-N 3.31Å; L151-R153 PolarHBondContact O-N 3.22Å; L151-I154 WeakPolarHBondContact O-CB 3.41Å; L151-I154 PolarHBondContact O-N 3.45Å; L151-I154 VanDerWaalsContact O-N 3.13Å; L151-L155 HydrophobicContact CD1-CG 4.38Å; L151-L155 HydrophobicContact CG-CD1 4.08Å; L151-L155 HydrophobicContact CG-CG 4.36Å; L151-L155 VanDerWaalsContact O-CG 3.32Å; L151-L155 WeakPolarHBondContact O-CG 3.36Å; L151-L155 PolarHBondContact O-N 3.09Å; L151-I169 HydrophobicContact CD2-CD1 4.49Å |
| 152 | S | 79.5 | Confident | 78 | Confident | 48 Ų | 48 | 64.6 Ų | 64.6 | 34% | 0.336 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -56.8 | -43.5 | 177.4 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | V148 Y149 I154 L155 E156 | V148-S152 PolarHBondContact O-N 3.34Å; V148-S152 PolarHBondContact O-OG 3.28Å; Y149-S152 PolarHBondContact O-N 2.9Å; S152-I154 VanDerWaalsContact C-N 3.32Å; S152-I154 PolarHBondContact O-N 3.43Å; S152-L155 PolarHBondContact O-N 2.92Å; S152-L155 VanDerWaalsContact O-N 3.11Å; S152-E156 WeakPolarHBondContact O-CG 3.37Å; S152-E156 PolarHBondContact O-N 2.85Å |
| 153 | R | 81.9 | Confident | 78.9 | Confident | 126 Ų | 126 | 70.7 Ų | 70.7 | 48% | 0.475 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.4 | -40.1 | 176.8 | -70.3 | 178.8 | 75.8 | -174.6 | 5.8 | 112.8 | L116 Y149 E150 L151 E156 V157 | L116-R153 HydrophobicContact CD2-CB 4.4Å; Y149-R153 WeakPolarHBondContact O-CG 3.41Å; Y149-R153 PolarHBondContact O-N 3.25Å; E150-R153 PolarHBondContact O-N 3Å; E150-R153 IonicContact OE1-NH1 3.8Å; E150-R153 IonicContact OE2-NH1 3.89Å; L151-R153 VanDerWaalsContact C-N 3.31Å; L151-R153 PolarHBondContact O-N 3.22Å; R153-E156 PolarHBondContact O-N 2.81Å; R153-V157 PolarHBondContact O-N 3.04Å |
| 154 | I | 83 | Confident | 80.2 | Confident | 4 Ų | 4 | 72.7 Ų | 72.7 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.8 | -45 | 174.5 | -64.9 | 166 | 0 | 0 | 0 | 110.4 | V113 F114 L116 L119 F139 E150 L151 S152 E156 V157 I158 | V113-I154 VanDerWaalsContact O-CD1 3.29Å; V113-I154 WeakPolarHBondContact O-CD1 3.23Å; F114-I154 HydrophobicContact CD1-CD1 4.1Å; F114-I154 HydrophobicContact CE1-CD1 4.16Å; L116-I154 HydrophobicContact CD1-CB 4.23Å; L116-I154 HydrophobicContact CD1-CG1 3.72Å; L119-I154 HydrophobicContact CD2-CG1 4.34Å; L119-I154 HydrophobicContact CD2-CG2 4.12Å; F139-I154 HydrophobicContact CE1-CG2 4.21Å; F139-I154 HydrophobicContact CZ-CG2 3.87Å; E150-I154 WeakPolarHBondContact O-CG1 3.32Å; E150-I154 PolarHBondContact O-N 2.91Å; L151-I154 WeakPolarHBondContact O-CB 3.41Å; L151-I154 PolarHBondContact O-N 3.45Å; L151-I154 VanDerWaalsContact O-N 3.13Å; S152-I154 VanDerWaalsContact C-N 3.32Å; S152-I154 PolarHBondContact O-N 3.43Å; I154-E156 VanDerWaalsContact C-N 3.32Å; I154-E156 PolarHBondContact O-N 2.91Å; I154-V157 PolarHBondContact O-N 3.27Å; I154-I158 HydrophobicContact CG2-CD1 3.92Å; I154-I158 WeakPolarHBondContact O-CG1 3.35Å; I154-I158 PolarHBondContact O-N 3.06Å |
| 155 | L | 85.3 | Confident | 81.7 | Confident | 53 Ų | 53 | 69.5 Ų | 69.5 | 28% | 0.277 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.6 | -29.5 | -179.1 | -63.5 | 176.4 | 0 | 0 | 0 | 113.4 | F139 L151 S152 P159 V167 I169 | F139-L155 HydrophobicContact CE2-CD2 4.16Å; L151-L155 HydrophobicContact CD1-CG 4.38Å; L151-L155 HydrophobicContact CG-CD1 4.08Å; L151-L155 HydrophobicContact CG-CG 4.36Å; L151-L155 VanDerWaalsContact O-CG 3.32Å; L151-L155 WeakPolarHBondContact O-CG 3.36Å; L151-L155 PolarHBondContact O-N 3.09Å; S152-L155 PolarHBondContact O-N 2.92Å; S152-L155 VanDerWaalsContact O-N 3.11Å; L155-P159 WeakPolarHBondContact O-CD 3.33Å; L155-V167 HydrophobicContact CD2-CG1 3.71Å; L155-V167 HydrophobicContact CD2-CG2 4.5Å; L155-I169 HydrophobicContact CD1-CD1 3.55Å; L155-I169 HydrophobicContact CD2-CD1 3.7Å; L155-I169 HydrophobicContact CD2-CG1 4.49Å; L155-I169 HydrophobicContact CG-CD1 4.22Å |
| 156 | E | 86.9 | Confident | 83.1 | Confident | 126 Ų | 126 | 64.6 Ų | 64.6 | 59% | 0.589 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -70.9 | -38.4 | 174.3 | -75.5 | 171.2 | -172.9 | 0 | 0 | 112.2 | S152 R153 I154 P159 I160 | S152-E156 WeakPolarHBondContact O-CG 3.37Å; S152-E156 PolarHBondContact O-N 2.85Å; R153-E156 PolarHBondContact O-N 2.81Å; I154-E156 VanDerWaalsContact C-N 3.32Å; I154-E156 PolarHBondContact O-N 2.91Å; E156-P159 WeakPolarHBondContact O-CD 3.14Å; E156-P159 WeakPolarHBondContact O-CG 3.32Å; E156-I160 WeakPolarHBondContact O-CD1 3.39Å; E156-I160 WeakPolarHBondContact O-CG1 3.39Å |
| 157 | V | 87.8 | Confident | 84.3 | Confident | 37 Ų | 37 | 63.9 Ų | 63.9 | 22% | 0.224 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -78.5 | -34 | -176.7 | 168.7 | 0 | 0 | 0 | 0 | 113.2 | L116 V120 R153 I154 I160 T161 | L116-V157 HydrophobicContact CD1-CB 4.3Å; L116-V157 HydrophobicContact CD1-CG2 4.33Å; L116-V157 HydrophobicContact CD2-CB 4.45Å; L116-V157 HydrophobicContact CD2-CG2 3.63Å; L116-V157 HydrophobicContact CG-CG2 4.25Å; V120-V157 HydrophobicContact CG2-CG1 3.73Å; R153-V157 PolarHBondContact O-N 3.04Å; I154-V157 PolarHBondContact O-N 3.27Å; V157-I160 WeakPolarHBondContact O-CB 3.3Å; V157-I160 PolarHBondContact O-N 2.75Å; V157-T161 PolarHBondContact O-N 3.49Å; V157-T161 PolarHBondContact O-OG1 3.21Å |
| 158 | I | 90.1 | Very high | 85.3 | Confident | 12 Ų | 12 | 58.7 Ų | 58.7 | 6% | 0.062 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -51.8 | -53 | -179.8 | -75.1 | 167.7 | 0 | 0 | 0 | 113.8 | F137 F139 I154 I160 T161 F162 C165 V167 | F137-I158 HydrophobicContact CB-CD1 4.43Å; F137-I158 HydrophobicContact CD1-CD1 4.03Å; F137-I158 HydrophobicContact CD2-CD1 4.27Å; F137-I158 HydrophobicContact CD2-CG2 3.64Å; F137-I158 HydrophobicContact CE1-CD1 4.39Å; F137-I158 HydrophobicContact CE1-CG1 4.47Å; F137-I158 HydrophobicContact CE2-CG1 4.43Å; F137-I158 HydrophobicContact CE2-CG2 3.58Å; F137-I158 HydrophobicContact CG-CD1 3.98Å; F137-I158 HydrophobicContact CG-CG2 4.4Å; F137-I158 HydrophobicContact CZ-CG1 4.41Å; F137-I158 HydrophobicContact CZ-CG2 4.3Å; F139-I158 HydrophobicContact CE2-CD1 3.87Å; F139-I158 HydrophobicContact CZ-CD1 3.68Å; I154-I158 HydrophobicContact CG2-CD1 3.92Å; I154-I158 WeakPolarHBondContact O-CG1 3.35Å; I154-I158 PolarHBondContact O-N 3.06Å; I158-I160 PolarHBondContact O-N 3.4Å; I158-T161 PolarHBondContact O-N 3.42Å; I158-F162 PolarHBondContact O-N 2.79Å; I158-C165 HydrophobicContact CG2-CB 4.04Å; I158-V167 HydrophobicContact CD1-CG2 4.32Å; I158-V167 HydrophobicContact CG2-CG2 3.98Å |
| 159 | P | 87.4 | Confident | 85.9 | Confident | 67 Ų | 67 | 55.4 Ų | 55.4 | 44% | 0.435 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -70.1 | -18.9 | -179.8 | 28 | -35.3 | 0 | 0 | 0 | 113.4 | L155 E156 | L155-P159 WeakPolarHBondContact O-CD 3.33Å; E156-P159 WeakPolarHBondContact O-CD 3.14Å; E156-P159 WeakPolarHBondContact O-CG 3.32Å |
| 160 | I | 88.8 | Confident | 86.5 | Confident | 140 Ų | 140 | 47.4 Ų | 47.4 | 72% | 0.718 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -75.1 | -42.1 | 172.8 | -60.4 | 171.4 | 0 | 0 | 0 | 109.8 | E156 V157 I158 | E156-I160 WeakPolarHBondContact O-CD1 3.39Å; E156-I160 WeakPolarHBondContact O-CG1 3.39Å; V157-I160 WeakPolarHBondContact O-CB 3.3Å; V157-I160 PolarHBondContact O-N 2.75Å; I158-I160 PolarHBondContact O-N 3.4Å |
| 161 | T | 90.2 | Very high | 86.4 | Confident | 33 Ų | 33 | 45.6 Ų | 45.6 | 20% | 0.202 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -80.9 | -35.7 | -177 | -55.3 | 0 | 0 | 0 | 0 | 113 | V120 M124 A131 V157 I158 | V120-T161 HydrophobicContact CG1-CG2 3.87Å; M124-T161 HydrophobicContact CG-CG2 4.39Å; M124-T161 HydrophobicContact SD-CG2 4.34Å; A131-T161 WeakPolarHBondContact CB-O 3.31Å; V157-T161 PolarHBondContact O-N 3.49Å; V157-T161 PolarHBondContact O-OG1 3.21Å; I158-T161 PolarHBondContact O-N 3.42Å |
| 162 | F | 91.5 | Very high | 85.7 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 1% | 0.013 | 24% | 0.235 | C | C | . | . | trans | -118.4 | 109.8 | -174.6 | -63.9 | -87.3 | 0 | 0 | 0 | 111.1 | M124 L129 T135 F137 I158 K164 C165 | M124-F162 HydrophobicContact SD-CE1 3.74Å; M124-F162 HydrophobicContact SD-CZ 3.6Å; L129-F162 HydrophobicContact CB-CE1 4.09Å; L129-F162 HydrophobicContact CB-CZ 4.34Å; L129-F162 HydrophobicContact CD1-CE1 4.37Å; L129-F162 HydrophobicContact CD1-CZ 4.19Å; T135-F162 HydrophobicContact CG2-CD1 4.36Å; T135-F162 HydrophobicContact CG2-CE1 4.49Å; F137-F162 HydrophobicContact CE1-CE2 4.43Å; F137-F162 AromaticContact CE2-CD2 3.85Å; F137-F162 HydrophobicContact CE2-CD2 3.85Å; F137-F162 HydrophobicContact CE2-CE2 4.21Å; F137-F162 HydrophobicContact CE2-CG 4.14Å; F137-F162 AromaticContact CZ-CD2 3.61Å; F137-F162 HydrophobicContact CZ-CD2 3.61Å; F137-F162 HydrophobicContact CZ-CE1 4.47Å; F137-F162 AromaticContact CZ-CE2 3.49Å; F137-F162 HydrophobicContact CZ-CE2 3.49Å; F137-F162 VanDerWaalsContact CZ-CE2 3.49Å; F137-F162 HydrophobicContact CZ-CG 4.19Å; F137-F162 AromaticContact CZ-CZ 3.95Å; F137-F162 HydrophobicContact CZ-CZ 3.95Å; I158-F162 PolarHBondContact O-N 2.79Å; F162-K164 VanDerWaalsContact C-N 3.34Å; F162-K164 PolarHBondContact O-N 3.4Å; F162-C165 HydrophobicContact CB-CB 3.87Å | ||
| 163 | L | 87.4 | Confident | 84.5 | Confident | 134 Ų | 134 | 53.9 Ų | 53.9 | 70% | 0.702 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -58.3 | -41.9 | -172.8 | -76.7 | 155.1 | 0 | 0 | 0 | 113.2 | A131 S205 | A131-L163 PolarHBondContact O-N 2.74Å; A131-L163 VanDerWaalsContact O-N 3.15Å; L163-S205 PolarHBondContact O-OG 2.88Å |
| 164 | K | 91.8 | Very high | 82.8 | Confident | 112 Ų | 112 | 49.6 Ų | 49.6 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -118.5 | 82.4 | 179.9 | -69.3 | -179.5 | -177.9 | 174 | 0 | 109.6 | P134 T135 F162 | P134-K164 CarbonylContact C-O 3.55Å; P134-K164 WeakPolarHBondContact CA-O 3.49Å; P134-K164 HydrophobicContact CB-CB 4.3Å; P134-K164 HydrophobicContact CG-CB 4.4Å; P134-K164 HydrophobicContact CG-CD 4.37Å; T135-K164 PolarHBondContact N-O 3.4Å; F162-K164 VanDerWaalsContact C-N 3.34Å; F162-K164 PolarHBondContact O-N 3.4Å |
| 165 | C | 93.2 | Very high | 80.8 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 3% | 0.027 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 156.3 | -177.2 | 69.3 | 0 | 0 | 0 | 0 | 113 | T135 F137 I158 F162 S204 S205 | T135-C165 CarbonylContact O-C 3.58Å; T135-C165 WeakPolarHBondContact O-CA 3.33Å; F137-C165 HydrophobicContact CE2-CB 4.43Å; I158-C165 HydrophobicContact CG2-CB 4.04Å; F162-C165 HydrophobicContact CB-CB 3.87Å; C165-S204 WeakPolarHBondContact O-CA 3.4Å; C165-S204 PolarHBondContact O-OG 3.22Å; C165-S205 PolarHBondContact N-OG 3.4Å; C165-S205 PolarHBondContact O-N 3.43Å; C165-S205 PolarHBondContact O-OG 3.2Å |
| 166 | A | 93.2 | Very high | 78.8 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 146.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | F24 T135 L136 F137 G203 Y209 | F24-A166 HydrophobicContact CD2-CB 3.93Å; F24-A166 HydrophobicContact CE2-CB 3.64Å; T135-A166 PolarHBondContact O-N 3.34Å; L136-A166 CarbonylContact C-O 3.48Å; L136-A166 WeakPolarHBondContact CA-O 3.38Å; L136-A166 HydrophobicContact CD1-CB 3.71Å; F137-A166 PolarHBondContact N-O 3.37Å; A166-G203 CarbonylContact C-O 3.54Å; A166-G203 WeakPolarHBondContact CA-O 3.47Å; A166-Y209 HydrophobicContact CB-CD1 3.54Å; A166-Y209 HydrophobicContact CB-CE1 3.43Å; A166-Y209 VanDerWaalsContact CB-CE1 3.43Å |
| 167 | V | 91 | Very high | 76.6 | Confident | 15 Ų | 15 | 57.6 Ų | 57.6 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 128.1 | 176 | -176.3 | 0 | 0 | 0 | 0 | 107.8 | F137 F139 L155 I158 I169 V202 G203 | F137-V167 HydrophobicContact CB-CG1 4.45Å; F137-V167 HydrophobicContact CB-CG2 4.22Å; F137-V167 CarbonylContact O-C 3.55Å; F137-V167 WeakPolarHBondContact O-CA 3.23Å; F139-V167 HydrophobicContact CD2-CG1 3.49Å; F139-V167 VanDerWaalsContact CD2-CG1 3.49Å; F139-V167 HydrophobicContact CE2-CG1 3.5Å; L155-V167 HydrophobicContact CD2-CG1 3.71Å; L155-V167 HydrophobicContact CD2-CG2 4.5Å; I158-V167 HydrophobicContact CD1-CG2 4.32Å; I158-V167 HydrophobicContact CG2-CG2 3.98Å; V167-I169 HydrophobicContact CG1-CD1 4.24Å; V167-I169 HydrophobicContact CG1-CG1 3.71Å; V167-V202 WeakPolarHBondContact O-CA 3.3Å; V167-G203 PolarHBondContact N-O 3.3Å; V167-G203 PolarHBondContact O-N 3.14Å |
| 168 | V | 88.6 | Confident | 74 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 119.6 | 169.4 | 179.6 | 0 | 0 | 0 | 0 | 107 | I17 A20 L136 F137 L138 F139 V201 V202 | I17-V168 HydrophobicContact CD1-CG1 3.96Å; A20-V168 HydrophobicContact CB-CG2 4.2Å; L136-V168 HydrophobicContact CD1-CG2 3.99Å; F137-V168 PolarHBondContact O-N 2.84Å; L138-V168 CarbonylContact C-O 3.55Å; L138-V168 WeakPolarHBondContact CA-O 3.45Å; L138-V168 HydrophobicContact CD2-CB 3.68Å; L138-V168 HydrophobicContact CD2-CG1 4.39Å; L138-V168 HydrophobicContact CD2-CG2 4.04Å; F139-V168 PolarHBondContact N-O 2.98Å; V168-V201 CarbonylContact C-O 3.51Å; V168-V201 WeakPolarHBondContact CA-O 3.38Å; V168-V202 HydrophobicContact CG1-CG2 4.32Å; V168-V202 HydrophobicContact CG2-CG1 4.05Å; V168-V202 HydrophobicContact CG2-CG2 4.25Å |
| 169 | I | 84.7 | Confident | 71.4 | Confident | 10 Ų | 10 | 59.2 Ų | 59.2 | 5% | 0.051 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 122.6 | 178 | -41.1 | 179 | 0 | 0 | 0 | 107.3 | F139 L151 L155 V167 E171 F200 V201 | F139-I169 HydrophobicContact CB-CB 4.27Å; F139-I169 HydrophobicContact CB-CG1 4.28Å; F139-I169 HydrophobicContact CB-CG2 3.86Å; F139-I169 HydrophobicContact CD2-CG1 4.11Å; L151-I169 HydrophobicContact CD2-CD1 4.49Å; L155-I169 HydrophobicContact CD1-CD1 3.55Å; L155-I169 HydrophobicContact CD2-CD1 3.7Å; L155-I169 HydrophobicContact CD2-CG1 4.49Å; L155-I169 HydrophobicContact CG-CD1 4.22Å; V167-I169 HydrophobicContact CG1-CD1 4.24Å; V167-I169 HydrophobicContact CG1-CG1 3.71Å; I169-E171 HydrophobicContact CG2-CG 3.69Å; I169-F200 CarbonylContact O-C 3.54Å; I169-F200 WeakPolarHBondContact O-CA 3.34Å; I169-V201 HydrophobicContact CB-CB 4.24Å; I169-V201 PolarHBondContact N-O 2.98Å; I169-V201 PolarHBondContact O-N 2.68Å |
| 170 | Q | 81.6 | Confident | 68.7 | Low | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.009 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 118 | 166.4 | 177.8 | -159.8 | -62.3 | 0 | 0 | 107.4 | H13 F139 G140 D141 V198 F200 | H13-Q170 PolarHBondContact ND1-NE2 3.33Å; F139-Q170 PolarHBondContact O-N 3.08Å; G140-Q170 CarbonylContact C-O 3.58Å; D141-Q170 PolarHBondContact N-O 2.97Å; D141-Q170 PolarHBondContact OD1-NE2 2.61Å; Q170-V198 HydrophobicContact CG-CG1 4.48Å; Q170-F200 HydrophobicContact CB-CD1 4.01Å; Q170-F200 HydrophobicContact CB-CE1 3.84Å; Q170-F200 HydrophobicContact CG-CD1 4.16Å; Q170-F200 HydrophobicContact CG-CE1 3.6Å; Q170-F200 HydrophobicContact CG-CZ 4.1Å |
| 171 | E | 71.7 | Confident | 66.1 | Low | 20 Ų | 20 | 54.5 Ų | 54.5 | 9% | 0.093 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 145.3 | 173.5 | -68.3 | -64.1 | 162.9 | 0 | 0 | 110.1 | D141 L142 L143 I169 V199 | D141-E171 WeakPolarHBondContact CA-OE2 3.4Å; L142-E171 PolarHBondContact N-OE1 2.92Å; L142-E171 PolarHBondContact N-OE2 2.93Å; L143-E171 HydrophobicContact CB-CG 4.47Å; L143-E171 WeakPolarHBondContact CB-OE2 3.47Å; L143-E171 HydrophobicContact CD1-CB 4.44Å; L143-E171 HydrophobicContact CD1-CG 3.79Å; L143-E171 HydrophobicContact CG-CG 4.07Å; L143-E171 PolarHBondContact N-OE1 2.76Å; L143-E171 PolarHBondContact N-OE2 2.88Å; L143-E171 VanDerWaalsContact N-OE2 3.07Å; I169-E171 HydrophobicContact CG2-CG 3.69Å; E171-V199 PolarHBondContact N-O 2.86Å; E171-V199 PolarHBondContact O-N 2.87Å |
| 172 | Q | 64.3 | Low | 63.4 | Low | 23 Ų | 23 | 56 Ų | 56 | 11% | 0.107 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.1 | 173.5 | 179.6 | 170.2 | -23.4 | 0 | 0 | 111 | R9 G174 V198 | R9-Q172 VanDerWaalsContact NH2-NE2 3.12Å; Q172-G174 PolarHBondContact O-N 2.87Å; Q172-V198 HydrophobicContact CG-CG2 4.27Å |
| 173 | R | 54.6 | Low | 61.1 | Low | 209 Ų | 209 | 58.8 Ų | 58.8 | 79% | 0.789 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -82.5 | 100 | 173.9 | -161.2 | 175.7 | 179.7 | -172.9 | -0.4 | 110.6 | R197 | R173-R197 PolarHBondContact N-O 3.27Å; R173-R197 VanDerWaalsContact O-CZ 3.3Å; R173-R197 PolarHBondContact O-NE 3.39Å; R173-R197 PolarHBondContact O-NH2 2.98Å |
| 174 | G | 45.3 | Very low | 59.5 | Low | 36 Ų | 36 | 53.5 Ų | 53.5 | 37% | 0.371 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 121.7 | 159.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q172 | Q172-G174 PolarHBondContact O-N 2.87Š|
| 175 | R | 42 | Very low | 58.1 | Low | 210 Ų | 210 | 49.8 Ų | 49.8 | 79% | 0.792 | 27% | 0.265 | S | S | * | . | trans | -52.8 | 144.6 | -174.6 | -92.2 | -176.6 | 175.1 | 176 | -0.7 | 113.3 | D177 | R175-D177 PolarHBondContact O-N 3.4Å; R175-D177 VanDerWaalsContact O-N 3.12Å | ||
| 176 | R | 41.9 | Very low | 57.1 | Low | 112 Ų | 112 | 50 Ų | 50 | 42% | 0.423 | 27% | 0.266 | S | S | . | . | trans | -63.6 | 106.4 | 169.1 | -76.5 | -178.2 | -178.8 | 174.7 | 2.5 | 111.7 | D141 E144 G178 | D141-R176 IonicContact OD2-CZ 3.7Å; D141-R176 IonicContact OD2-NE 2.97Å; D141-R176 IonicContact OD2-NH2 2.64Å; D141-R176 PolarHBondContact OD2-NH2 2.87Å; E144-R176 IonicContact OE2-NE 3.95Å; R176-G178 PolarHBondContact O-N 2.88Å | ||
| 177 | D | 41.4 | Very low | 56.3 | Low | 29 Ų | 29 | 50.8 Ų | 50.8 | 16% | 0.155 | 27% | 0.269 | C | S | . | . | trans | -70.8 | 119 | 174.4 | -61.3 | -35.4 | 0 | 0 | 0 | 112.5 | R175 L572 Q573 | R175-D177 PolarHBondContact O-N 3.4Å; R175-D177 VanDerWaalsContact O-N 3.12Å; D177-L572 HydrophobicContact CB-CB 3.82Å; D177-L572 HydrophobicContact CB-CD1 4.05Å; D177-Q573 WeakPolarHBondContact OD1-CG 3.3Å; D177-Q573 PolarHBondContact OD1-NE2 2.8Å | ||
| 178 | G | 32.5 | Very low | 55.8 | Low | 73 Ų | 73 | 50.3 Ų | 50.3 | 75% | 0.753 | 27% | 0.266 | S | S | * | . | trans | -93.4 | 97.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | R176 | R176-G178 PolarHBondContact O-N 2.88Š| ||
| 179 | A | 37 | Very low | 55.6 | Low | 10 Ų | 10 | 50.4 Ų | 50.4 | 8% | 0.083 | 27% | 0.266 | C | S | . | . | trans | -136.5 | 149 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | T3 L572 | T3-A179 HydrophobicContact CG2-CB 3.95Å; T3-A179 PolarHBondContact N-O 2.67Å; A179-L572 HydrophobicContact CB-CB 3.74Å; A179-L572 HydrophobicContact CB-CD2 3.5Å; A179-L572 HydrophobicContact CB-CG 4.2Å | ||
| 180 | T | 30.3 | Very low | 55.3 | Low | 76 Ų | 76 | 50.1 Ų | 50.1 | 47% | 0.466 | 26% | 0.264 | S | S | . | . | trans | -126.8 | 103.8 | -175.9 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | M1 | M1-T180 CarbonylContact O-C 3.33Å; M1-T180 WeakPolarHBondContact O-CA 3.17Å; M1-T180 WeakPolarHBondContact O-CB 3.44Å; M1-T180 WeakPolarHBondContact O-CG2 3.38Å | ||
| 181 | A | 33.2 | Very low | 55.1 | Low | 31 Ų | 31 | 51 Ų | 51 | 26% | 0.256 | 27% | 0.268 | S | S | . | . | trans | -159.3 | 106.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | T3 T4 L183 | T3-A181 WeakPolarHBondContact CA-O 3.38Å; T3-A181 WeakPolarHBondContact CB-O 3.3Å; T3-A181 HydrophobicContact CG2-CB 3.85Å; T4-A181 PolarHBondContact N-O 3.08Å; A181-L183 VanDerWaalsContact C-N 3.28Å; A181-L183 PolarHBondContact O-N 3.4Å | ||
| 182 | S | 35 | Very low | 55.6 | Low | 65 Ų | 65 | 50.3 Ų | 50.3 | 46% | 0.455 | 26% | 0.264 | S | S | . | . | trans | -80.8 | 70.6 | 176.2 | 61.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 183 | L | 42.7 | Very low | 56.2 | Low | 62 Ų | 62 | 50.6 Ų | 50.6 | 33% | 0.325 | 27% | 0.266 | S | S | . | . | trans | -98.5 | 138.2 | 164.4 | -63.2 | 172.6 | 0 | 0 | 0 | 107.8 | T4 A181 F331 | T4-L183 WeakPolarHBondContact CB-O 3.4Å; T4-L183 PolarHBondContact OG1-O 2.88Å; A181-L183 VanDerWaalsContact C-N 3.28Å; A181-L183 PolarHBondContact O-N 3.4Å; L183-F331 HydrophobicContact CD2-CE1 3.91Å | ||
| 184 | P | 53.8 | Low | 57.1 | Low | 23 Ų | 23 | 41.5 Ų | 41.5 | 15% | 0.149 | 23% | 0.232 | C | C | . | . | trans | -61.8 | 158.1 | 170.3 | 34.8 | -38.2 | 0 | 0 | 0 | 108.3 | N186 W327 F331 | P184-N186 PolarHBondContact O-N 2.79Å; P184-N186 VanDerWaalsContact O-N 3.09Å; P184-W327 HydrophobicContact CG-CH2 3.86Å; P184-W327 HydrophobicContact CG-CZ2 3.54Å; P184-F331 HydrophobicContact CG-CB 3.92Å; P184-F331 HydrophobicContact CG-CD1 3.2Å; P184-F331 HydrophobicContact CG-CD2 3.91Å; P184-F331 HydrophobicContact CG-CE1 3.68Å; P184-F331 HydrophobicContact CG-CE2 4.24Å; P184-F331 HydrophobicContact CG-CG 3.36Å; P184-F331 HydrophobicContact CG-CZ 4.15Å | ||
| 185 | F | 61.5 | Low | 58.5 | Low | 34 Ų | 34 | 41.2 Ų | 41.2 | 15% | 0.149 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -62.8 | 115.3 | -166.8 | -176.7 | -99.3 | 0 | 0 | 0 | 111.7 | T4 L5 R8 Y188 W191 | T4-F185 HydrophobicContact CG2-CB 3.94Å; L5-F185 HydrophobicContact CD1-CE2 4.16Å; R8-F185 VanDerWaalsContact NH1-CZ 3.29Å; F185-Y188 HydrophobicContact CD1-CE1 4.17Å; F185-Y188 HydrophobicContact CD1-CE2 4.18Å; F185-Y188 AromaticContact CD1-CZ 3.9Å; F185-Y188 AromaticContact CE1-CD1 3.62Å; F185-Y188 HydrophobicContact CE1-CD1 3.62Å; F185-Y188 HydrophobicContact CE1-CD2 4.15Å; F185-Y188 AromaticContact CE1-CE1 3.51Å; F185-Y188 HydrophobicContact CE1-CE1 3.51Å; F185-Y188 HydrophobicContact CE1-CE2 4.04Å; F185-Y188 AromaticContact CE1-CG 3.93Å; F185-Y188 HydrophobicContact CE1-CG 3.93Å; F185-Y188 AromaticContact CE1-CZ 3.69Å; F185-Y188 HydrophobicContact CZ-CD1 4.25Å; F185-Y188 HydrophobicContact CZ-CG 4.41Å; F185-W191 HydrophobicContact CE2-CB 3.61Å; F185-W191 HydrophobicContact CE2-CD2 4.28Å; F185-W191 AromaticContact CE2-CG 3.81Å; F185-W191 HydrophobicContact CE2-CG 3.81Å; F185-W191 HydrophobicContact CZ-CB 3.48Å; F185-W191 VanDerWaalsContact CZ-CB 3.48Å; F185-W191 AromaticContact CZ-CD1 3.78Å; F185-W191 HydrophobicContact CZ-CD2 4.36Å; F185-W191 AromaticContact CZ-CG 3.56Å; F185-W191 HydrophobicContact CZ-CG 3.56Å |
| 186 | N | 72.5 | Confident | 60.1 | Low | 9 Ų | 9 | 33.3 Ų | 33.3 | 5% | 0.048 | 20% | 0.204 | C | C | . | . | trans | -143.8 | 14.6 | 168.4 | -176.8 | 48.7 | 0 | 0 | 0 | 111.3 | P184 Y188 H310 W327 W368 R369 | P184-N186 PolarHBondContact O-N 2.79Å; P184-N186 VanDerWaalsContact O-N 3.09Å; N186-Y188 VanDerWaalsContact C-N 3.28Å; N186-Y188 PolarHBondContact O-N 3.04Å; N186-H310 PolarHBondContact ND2-CD2 3.07Å; N186-H310 PolarHBondContact ND2-NE2 2.97Å; N186-W327 HydrophobicContact CB-CE3 3.92Å; N186-W327 HydrophobicContact CB-CH2 3.69Å; N186-W327 HydrophobicContact CB-CZ3 3.31Å; N186-W327 WeakPolarHBondContact ND2-CZ3 3.45Å; N186-W368 PolarHBondContact OD1-NE1 3.36Å; N186-R369 PolarHBondContact O-NH2 3.18Å; N186-R369 PolarHBondContact OD1-NE 3.49Å | ||
| 187 | E | 75.6 | Confident | 61.5 | Low | 16 Ų | 16 | 32.2 Ų | 32.2 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | trans | -97.1 | 47.4 | -176.1 | -59.8 | 149.8 | 134.4 | 0 | 0 | 109.4 | L5 E189 L190 W191 F571 | L5-E187 WeakPolarHBondContact CB-OE2 3.39Å; L5-E187 HydrophobicContact CD1-CB 4.47Å; L5-E187 HydrophobicContact CD2-CB 4.44Å; E187-E189 VanDerWaalsContact C-N 3.34Å; E187-E189 PolarHBondContact O-N 3.15Å; E187-L190 PolarHBondContact O-N 3.37Å; E187-W191 WeakPolarHBondContact O-CB 3.36Å; E187-W191 PolarHBondContact O-N 3.28Å; E187-F571 HydrophobicContact CB-CE2 4.43Å; E187-F571 HydrophobicContact CG-CD2 3.97Å; E187-F571 HydrophobicContact CG-CE2 3.87Å | ||
| 188 | Y | 81.4 | Confident | 63 | Low | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -54.8 | -49.2 | -173.8 | -73.6 | -90.9 | 0 | 0 | 0 | 111.8 | F185 N186 L190 W191 H192 L391 H432 L451 E455 Y485 | F185-Y188 HydrophobicContact CD1-CE1 4.17Å; F185-Y188 HydrophobicContact CD1-CE2 4.18Å; F185-Y188 AromaticContact CD1-CZ 3.9Å; F185-Y188 AromaticContact CE1-CD1 3.62Å; F185-Y188 HydrophobicContact CE1-CD1 3.62Å; F185-Y188 HydrophobicContact CE1-CD2 4.15Å; F185-Y188 AromaticContact CE1-CE1 3.51Å; F185-Y188 HydrophobicContact CE1-CE1 3.51Å; F185-Y188 HydrophobicContact CE1-CE2 4.04Å; F185-Y188 AromaticContact CE1-CG 3.93Å; F185-Y188 HydrophobicContact CE1-CG 3.93Å; F185-Y188 AromaticContact CE1-CZ 3.69Å; F185-Y188 HydrophobicContact CZ-CD1 4.25Å; F185-Y188 HydrophobicContact CZ-CG 4.41Å; N186-Y188 VanDerWaalsContact C-N 3.28Å; N186-Y188 PolarHBondContact O-N 3.04Å; Y188-L190 VanDerWaalsContact C-N 3.29Å; Y188-L190 PolarHBondContact O-N 3.37Å; Y188-W191 WeakPolarHBondContact O-CB 3.36Å; Y188-W191 PolarHBondContact O-N 3.47Å; Y188-W191 VanDerWaalsContact O-N 3.09Å; Y188-H192 PolarHBondContact O-N 3.22Å; Y188-L391 HydrophobicContact CE2-CD1 3.76Å; Y188-H432 AromaticContact CD1-CE1 3.96Å; Y188-H432 AromaticContact CE1-CE1 3.91Å; Y188-L451 HydrophobicContact CD1-CD1 4.21Å; Y188-E455 HydrophobicContact CE1-CB 4.38Å; Y188-E455 HydrophobicContact CE1-CG 3.89Å; Y188-E455 VanDerWaalsContact CE1-OE1 3.3Å; Y188-E455 WeakPolarHBondContact CE1-OE1 3.35Å; Y188-E455 PolarHBondContact OH-OE1 3.18Å; Y188-Y485 PolarHBondContact O-OH 3.23Å |
| 189 | E | 84.7 | Confident | 65.1 | Low | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.019 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.4 | -44.9 | -177.5 | -66.9 | 81.5 | 176.2 | 0 | 0 | 111.5 | E187 F193 R369 Y485 V503 I547 | E187-E189 VanDerWaalsContact C-N 3.34Å; E187-E189 PolarHBondContact O-N 3.15Å; E189-F193 WeakPolarHBondContact O-CB 3.13Å; E189-F193 PolarHBondContact O-N 3.08Å; E189-F193 VanDerWaalsContact O-N 3.07Å; E189-R369 IonicContact OE1-CZ 2.76Å; E189-R369 IonicContact OE1-NH1 2.7Å; E189-R369 PolarHBondContact OE1-NH1 2.95Å; E189-R369 IonicContact OE1-NH2 3.36Å; E189-R369 PolarHBondContact OE1-NH2 2.9Å; E189-R369 IonicContact OE2-CZ 3.64Å; E189-R369 IonicContact OE2-NH1 3.18Å; E189-R369 PolarHBondContact OE2-NH1 2.98Å; E189-R369 IonicContact OE2-NH2 3.64Å; E189-R369 PolarHBondContact OE2-NH2 2.87Å; E189-Y485 WeakPolarHBondContact CA-OH 3.36Å; E189-Y485 HydrophobicContact CB-CE2 4.47Å; E189-Y485 HydrophobicContact CG-CD2 4.41Å; E189-Y485 HydrophobicContact CG-CE2 3.7Å; E189-Y485 PolarHBondContact N-OH 3.24Å; E189-Y485 VanDerWaalsContact N-OH 3.12Å; E189-V503 HydrophobicContact CB-CG2 3.86Å; E189-V503 HydrophobicContact CG-CG2 4.06Å; E189-I547 HydrophobicContact CB-CG2 3.45Å; E189-I547 VanDerWaalsContact CB-CG2 3.45Å; E189-I547 HydrophobicContact CG-CG2 3.96Å |
| 190 | L | 78.9 | Confident | 67.1 | Low | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -74.4 | -33.2 | 178.3 | -62.2 | -176.1 | 0 | 0 | 0 | 112.6 | L5 E187 Y188 F193 L194 E569 F571 | L5-L190 HydrophobicContact CD2-CB 4.01Å; L5-L190 HydrophobicContact CD2-CD1 4.48Å; E187-L190 PolarHBondContact O-N 3.37Å; Y188-L190 VanDerWaalsContact C-N 3.29Å; Y188-L190 PolarHBondContact O-N 3.37Å; L190-F193 PolarHBondContact O-N 3.29Å; L190-L194 WeakPolarHBondContact O-CB 3.36Å; L190-L194 WeakPolarHBondContact O-CG 3.5Å; L190-L194 PolarHBondContact O-N 2.83Å; L190-E569 WeakPolarHBondContact CD2-O 3.44Å; L190-F571 HydrophobicContact CD1-CD2 3.07Å; L190-F571 HydrophobicContact CD1-CE2 3.39Å; L190-F571 HydrophobicContact CD1-CG 4.09Å; L190-F571 HydrophobicContact CG-CD2 4.37Å; L190-F571 HydrophobicContact CG-CE2 4.32Å |
| 191 | W | 77.5 | Confident | 69.5 | Low | 22 Ų | 22 | 34.4 Ų | 34.4 | 8% | 0.083 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.7 | -49.2 | 174.6 | 170.9 | -112.5 | 0 | 0 | 0 | 111.6 | L5 R8 R9 L12 F185 E187 Y188 L194 C195 | L5-W191 HydrophobicContact CD1-CB 3.86Å; L5-W191 HydrophobicContact CD1-CE3 3.88Å; R8-W191 HydrophobicContact CB-CE3 4.4Å; R8-W191 HydrophobicContact CB-CH2 4.38Å; R8-W191 HydrophobicContact CB-CZ3 3.98Å; R8-W191 HydrophobicContact CG-CD2 4.49Å; R8-W191 HydrophobicContact CG-CE3 4.12Å; R8-W191 HydrophobicContact CG-CH2 3.65Å; R8-W191 HydrophobicContact CG-CZ2 4.06Å; R8-W191 HydrophobicContact CG-CZ3 3.68Å; R9-W191 HydrophobicContact CB-CZ3 4.37Å; L12-W191 HydrophobicContact CB-CH2 4.08Å; L12-W191 HydrophobicContact CD2-CH2 3.7Å; L12-W191 HydrophobicContact CD2-CZ2 4.1Å; L12-W191 HydrophobicContact CG-CH2 4.46Å; F185-W191 HydrophobicContact CE2-CB 3.61Å; F185-W191 HydrophobicContact CE2-CD2 4.28Å; F185-W191 AromaticContact CE2-CG 3.81Å; F185-W191 HydrophobicContact CE2-CG 3.81Å; F185-W191 HydrophobicContact CZ-CB 3.48Å; F185-W191 VanDerWaalsContact CZ-CB 3.48Å; F185-W191 AromaticContact CZ-CD1 3.78Å; F185-W191 HydrophobicContact CZ-CD2 4.36Å; F185-W191 AromaticContact CZ-CG 3.56Å; F185-W191 HydrophobicContact CZ-CG 3.56Å; E187-W191 WeakPolarHBondContact O-CB 3.36Å; E187-W191 PolarHBondContact O-N 3.28Å; Y188-W191 WeakPolarHBondContact O-CB 3.36Å; Y188-W191 PolarHBondContact O-N 3.47Å; Y188-W191 VanDerWaalsContact O-N 3.09Å; W191-L194 PolarHBondContact O-N 3.38Å; W191-C195 VanDerWaalsContact CZ2-SG 3.55Å; W191-C195 PolarHBondContact O-N 3.18Å; W191-C195 PolarHBondContact O-SG 3.44Å |
| 192 | H | 81.1 | Confident | 71.9 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.8 | -46.8 | 175.9 | -71 | 172.8 | 0 | 0 | 0 | 110.7 | Y188 L194 C195 A196 E455 F458 Y485 V503 F507 | Y188-H192 PolarHBondContact O-N 3.22Å; H192-L194 PolarHBondContact O-N 3.08Å; H192-C195 WeakPolarHBondContact O-CA 3.3Å; H192-C195 WeakPolarHBondContact O-CB 3.46Å; H192-C195 PolarHBondContact O-N 2.95Å; H192-A196 PolarHBondContact O-N 3.05Å; H192-E455 PolarHBondContact CE1-O 2.77Å; H192-E455 PolarHBondContact NE2-O 2.83Å; H192-F458 AromaticContact CE1-CE2 3.89Å; H192-F458 AromaticContact CE1-CZ 3.99Å; H192-F458 AromaticContact ND1-CE2 3.77Å; H192-F458 AromaticContact ND1-CZ 3.43Å; H192-F458 WeakPolarHBondContact ND1-CZ 3.15Å; H192-Y485 AromaticContact CE1-CE1 3.97Å; H192-Y485 AromaticContact ND1-CE1 3.27Å; H192-Y485 VanDerWaalsContact ND1-CE1 3.27Å; H192-Y485 WeakPolarHBondContact ND1-CE1 3.2Å; H192-Y485 AromaticContact ND1-CZ 3.4Å; H192-Y485 PolarHBondContact ND1-OH 2.88Å; H192-V503 HydrophobicContact CB-CG1 4.02Å; H192-F507 HydrophobicContact CB-CB 3.86Å; H192-F507 HydrophobicContact CB-CD1 3.94Å; H192-F507 HydrophobicContact CB-CG 3.94Å; H192-F507 AromaticContact CG-CD1 3.92Å; H192-F507 VanDerWaalsContact O-CB 3.27Å; H192-F507 WeakPolarHBondContact O-CB 3.38Å |
| 193 | F | 76.4 | Confident | 74.4 | Confident | 30 Ų | 30 | 33.9 Ų | 33.9 | 13% | 0.132 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.7 | -36.4 | 176.7 | -170.3 | -117.1 | 0 | 0 | 0 | 113.4 | E189 L190 R197 F507 K509 | E189-F193 WeakPolarHBondContact O-CB 3.13Å; E189-F193 PolarHBondContact O-N 3.08Å; E189-F193 VanDerWaalsContact O-N 3.07Å; L190-F193 PolarHBondContact O-N 3.29Å; F193-R197 WeakPolarHBondContact O-CG 3.42Å; F193-F507 WeakPolarHBondContact CA-O 3.32Å; F193-K509 HydrophobicContact CE2-CG 4.49Å |
| 194 | L | 74.4 | Confident | 76.7 | Confident | 17 Ų | 17 | 32.5 Ų | 32.5 | 9% | 0.089 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.1 | -42.6 | 172.4 | -75.7 | 171.8 | 0 | 0 | 0 | 112.2 | L5 L190 W191 H192 A196 R197 V198 | L5-L194 HydrophobicContact CD1-CD1 3.87Å; L5-L194 HydrophobicContact CD2-CD1 3.58Å; L5-L194 HydrophobicContact CG-CD1 3.58Å; L190-L194 WeakPolarHBondContact O-CB 3.36Å; L190-L194 WeakPolarHBondContact O-CG 3.5Å; L190-L194 PolarHBondContact O-N 2.83Å; W191-L194 PolarHBondContact O-N 3.38Å; H192-L194 PolarHBondContact O-N 3.08Å; L194-A196 VanDerWaalsContact C-N 3.25Å; L194-A196 PolarHBondContact O-N 3.13Å; L194-R197 PolarHBondContact O-N 2.84Å; L194-V198 PolarHBondContact O-N 3.05Å |
| 195 | C | 75.2 | Confident | 78.4 | Confident | 31 Ų | 31 | 34 Ų | 34 | 21% | 0.209 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.7 | -36.8 | 175.7 | -72.3 | 0 | 0 | 0 | 0 | 112.1 | W191 H192 R197 V198 F507 | W191-C195 VanDerWaalsContact CZ2-SG 3.55Å; W191-C195 PolarHBondContact O-N 3.18Å; W191-C195 PolarHBondContact O-SG 3.44Å; H192-C195 WeakPolarHBondContact O-CA 3.3Å; H192-C195 WeakPolarHBondContact O-CB 3.46Å; H192-C195 PolarHBondContact O-N 2.95Å; C195-R197 PolarHBondContact O-N 2.74Å; C195-V198 PolarHBondContact O-N 2.9Å; C195-F507 HydrophobicContact CB-CD2 4.02Å; C195-F507 HydrophobicContact CB-CE2 4.41Å |
| 196 | A | 74.3 | Confident | 79.5 | Confident | 43 Ų | 43 | 33.8 Ų | 33.8 | 36% | 0.355 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.2 | -24 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H192 L194 F507 | H192-A196 PolarHBondContact O-N 3.05Å; L194-A196 VanDerWaalsContact C-N 3.25Å; L194-A196 PolarHBondContact O-N 3.13Å; A196-F507 HydrophobicContact CB-CB 3.88Å; A196-F507 WeakPolarHBondContact CB-O 3.47Å |
| 197 | R | 72.1 | Confident | 80.2 | Confident | 89 Ų | 89 | 39.1 Ų | 39.1 | 34% | 0.336 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -97.7 | -8.4 | -173.7 | -66.3 | 175 | 72.4 | 148.3 | 4.6 | 113.7 | R173 F193 L194 C195 | R173-R197 PolarHBondContact N-O 3.27Å; R173-R197 VanDerWaalsContact O-CZ 3.3Å; R173-R197 PolarHBondContact O-NE 3.39Å; R173-R197 PolarHBondContact O-NH2 2.98Å; F193-R197 WeakPolarHBondContact O-CG 3.42Å; L194-R197 PolarHBondContact O-N 2.84Å; C195-R197 PolarHBondContact O-N 2.74Å |
| 198 | V | 72.5 | Confident | 80.7 | Confident | 19 Ų | 19 | 42.4 Ų | 42.4 | 12% | 0.115 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 120.1 | 176.5 | 179.5 | 0 | 0 | 0 | 0 | 107.8 | Q170 Q172 L194 C195 F200 | Q170-V198 HydrophobicContact CG-CG1 4.48Å; Q172-V198 HydrophobicContact CG-CG2 4.27Å; L194-V198 PolarHBondContact O-N 3.05Å; C195-V198 PolarHBondContact O-N 2.9Å; V198-F200 HydrophobicContact CG1-CD2 4.27Å; V198-F200 HydrophobicContact CG1-CE2 3.61Å; V198-F200 HydrophobicContact CG1-CZ 3.92Å |
| 199 | V | 76.5 | Confident | 81.2 | Confident | 77 Ų | 77 | 42.2 Ų | 42.2 | 47% | 0.467 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 130.8 | 179.5 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | E171 V201 | E171-V199 PolarHBondContact N-O 2.86Å; E171-V199 PolarHBondContact O-N 2.87Å; V199-V201 HydrophobicContact CG1-CG2 3.84Å |
| 200 | F | 79.5 | Confident | 81.3 | Confident | 63 Ų | 63 | 44.5 Ų | 44.5 | 28% | 0.276 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 111.5 | 168.1 | -65.3 | -85.1 | 0 | 0 | 0 | 108.4 | V16 I169 Q170 V198 | V16-F200 HydrophobicContact CB-CD1 4.45Å; V16-F200 HydrophobicContact CB-CE1 3.9Å; V16-F200 HydrophobicContact CB-CE2 4.49Å; V16-F200 HydrophobicContact CB-CZ 3.92Å; V16-F200 HydrophobicContact CG1-CD1 3.63Å; V16-F200 HydrophobicContact CG1-CD2 4.33Å; V16-F200 HydrophobicContact CG1-CE1 3.58Å; V16-F200 HydrophobicContact CG1-CE2 4.3Å; V16-F200 HydrophobicContact CG1-CG 4.01Å; V16-F200 HydrophobicContact CG1-CZ 3.93Å; V16-F200 HydrophobicContact CG2-CE2 4.27Å; V16-F200 HydrophobicContact CG2-CZ 4.09Å; I169-F200 CarbonylContact O-C 3.54Å; I169-F200 WeakPolarHBondContact O-CA 3.34Å; Q170-F200 HydrophobicContact CB-CD1 4.01Å; Q170-F200 HydrophobicContact CB-CE1 3.84Å; Q170-F200 HydrophobicContact CG-CD1 4.16Å; Q170-F200 HydrophobicContact CG-CE1 3.6Å; Q170-F200 HydrophobicContact CG-CZ 4.1Å; V198-F200 HydrophobicContact CG1-CD2 4.27Å; V198-F200 HydrophobicContact CG1-CE2 3.61Å; V198-F200 HydrophobicContact CG1-CZ 3.92Å |
| 201 | V | 80.7 | Confident | 81.8 | Confident | 76 Ų | 76 | 49.4 Ų | 49.4 | 46% | 0.461 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 129.2 | 174.3 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | V168 I169 V199 | V168-V201 CarbonylContact C-O 3.51Å; V168-V201 WeakPolarHBondContact CA-O 3.38Å; I169-V201 HydrophobicContact CB-CB 4.24Å; I169-V201 PolarHBondContact N-O 2.98Å; I169-V201 PolarHBondContact O-N 2.68Å; V199-V201 HydrophobicContact CG1-CG2 3.84Å |
| 202 | V | 84.8 | Confident | 82.3 | Confident | 48 Ų | 48 | 51.8 Ų | 51.8 | 29% | 0.291 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 127.3 | 178 | -169.3 | 0 | 0 | 0 | 0 | 110.1 | V167 V168 Y209 L213 | V167-V202 WeakPolarHBondContact O-CA 3.3Å; V168-V202 HydrophobicContact CG1-CG2 4.32Å; V168-V202 HydrophobicContact CG2-CG1 4.05Å; V168-V202 HydrophobicContact CG2-CG2 4.25Å; V202-Y209 HydrophobicContact CG1-CE1 4.47Å; V202-L213 HydrophobicContact CB-CD1 4.44Å; V202-L213 HydrophobicContact CG1-CD1 3.39Å |
| 203 | G | 87.2 | Confident | 82.5 | Confident | 36 Ų | 36 | 52 Ų | 52 | 37% | 0.371 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 145.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | A166 V167 | A166-G203 CarbonylContact C-O 3.54Å; A166-G203 WeakPolarHBondContact CA-O 3.47Å; V167-G203 PolarHBondContact N-O 3.3Å; V167-G203 PolarHBondContact O-N 3.14Å |
| 204 | S | 90.4 | Very high | 82.9 | Confident | 33 Ų | 33 | 52.8 Ų | 52.8 | 23% | 0.231 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 139.3 | 177.2 | -169.6 | 0 | 0 | 0 | 0 | 112.3 | C165 F206 | C165-S204 WeakPolarHBondContact O-CA 3.4Å; C165-S204 PolarHBondContact O-OG 3.22Å; S204-F206 VanDerWaalsContact C-N 3.26Å; S204-F206 WeakPolarHBondContact OG-CA 3.48Å; S204-F206 WeakPolarHBondContact OG-CB 3.18Å; S204-F206 PolarHBondContact OG-N 3.14Å |
| 205 | S | 88.9 | Confident | 83.4 | Confident | 55 Ų | 55 | 56.4 Ų | 56.4 | 39% | 0.385 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -84.6 | -3.7 | 162.9 | 66.9 | 0 | 0 | 0 | 0 | 112.1 | L163 C165 | L163-S205 PolarHBondContact O-OG 2.88Å; C165-S205 PolarHBondContact N-OG 3.4Å; C165-S205 PolarHBondContact O-N 3.43Å; C165-S205 PolarHBondContact O-OG 3.2Å |
| 206 | F | 85.4 | Confident | 83.6 | Confident | 30 Ų | 30 | 58.6 Ų | 58.6 | 13% | 0.132 | 34% | 0.336 | C | S | . | . | trans | -99 | 87.2 | -179.6 | -172.9 | -151.7 | 0 | 0 | 0 | 111.5 | F24 C27 S204 L208 Y209 M210 | F24-F206 HydrophobicContact CD2-CD1 4.42Å; F24-F206 AromaticContact CE2-CD1 3.9Å; F24-F206 HydrophobicContact CE2-CD1 3.9Å; C27-F206 HydrophobicContact CB-CD1 4.41Å; C27-F206 HydrophobicContact CB-CE1 3.55Å; C27-F206 HydrophobicContact CB-CZ 4.05Å; C27-F206 WeakPolarHBondContact O-CZ 3.42Å; S204-F206 VanDerWaalsContact C-N 3.26Å; S204-F206 WeakPolarHBondContact OG-CA 3.48Å; S204-F206 WeakPolarHBondContact OG-CB 3.18Å; S204-F206 PolarHBondContact OG-N 3.14Å; F206-L208 VanDerWaalsContact C-N 3.27Å; F206-L208 HydrophobicContact CD2-CB 4.42Å; F206-L208 HydrophobicContact CE2-CB 3.92Å; F206-L208 HydrophobicContact CZ-CB 4.12Å; F206-L208 HydrophobicContact CZ-CD2 4.43Å; F206-L208 PolarHBondContact O-N 3Å; F206-L208 VanDerWaalsContact O-N 3.08Å; F206-Y209 WeakPolarHBondContact O-CB 3.4Å; F206-Y209 PolarHBondContact O-N 3.26Å; F206-M210 PolarHBondContact O-N 2.73Å | ||
| 207 | N | 85.9 | Confident | 83.7 | Confident | 120 Ų | 120 | 61.3 Ų | 61.3 | 64% | 0.642 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -49.8 | -39 | -174 | -72.6 | -16.5 | 0 | 0 | 0 | 115.1 | Y209 M210 N211 | N207-Y209 VanDerWaalsContact C-N 3.29Å; N207-Y209 PolarHBondContact O-N 3.08Å; N207-M210 PolarHBondContact O-N 3.44Å; N207-N211 PolarHBondContact O-N 2.86Å; N207-N211 PolarHBondContact O-ND2 2.84Å |
| 208 | L | 87.5 | Confident | 83.9 | Confident | 86 Ų | 86 | 58.9 Ų | 58.9 | 45% | 0.45 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 179.6 | -163.2 | 90.8 | 0 | 0 | 0 | 111.8 | C27 F206 K212 | C27-L208 HydrophobicContact CB-CD2 3.98Å; C27-L208 WeakPolarHBondContact O-CD2 3.5Å; F206-L208 VanDerWaalsContact C-N 3.27Å; F206-L208 HydrophobicContact CD2-CB 4.42Å; F206-L208 HydrophobicContact CE2-CB 3.92Å; F206-L208 HydrophobicContact CZ-CB 4.12Å; F206-L208 HydrophobicContact CZ-CD2 4.43Å; F206-L208 PolarHBondContact O-N 3Å; F206-L208 VanDerWaalsContact O-N 3.08Å; L208-K212 PolarHBondContact O-N 3.05Å |
| 209 | Y | 90.5 | Very high | 83.9 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68 | -44.4 | 175.9 | 176.8 | -117.3 | 0 | 0 | 0 | 111.1 | A20 L23 F24 L136 A166 V202 F206 N207 N211 K212 L213 | A20-Y209 WeakPolarHBondContact O-CE2 3.43Å; A20-Y209 PolarHBondContact O-OH 3.46Å; L23-Y209 HydrophobicContact CB-CD2 4.37Å; L23-Y209 HydrophobicContact CB-CE2 3.85Å; F24-Y209 HydrophobicContact CB-CD2 3.92Å; F24-Y209 HydrophobicContact CB-CE2 3.57Å; F24-Y209 AromaticContact CD2-CD1 3.82Å; F24-Y209 HydrophobicContact CD2-CD1 3.82Å; F24-Y209 AromaticContact CD2-CD2 3.8Å; F24-Y209 HydrophobicContact CD2-CD2 3.8Å; F24-Y209 HydrophobicContact CD2-CE1 4.01Å; F24-Y209 HydrophobicContact CD2-CE2 4Å; F24-Y209 AromaticContact CD2-CG 3.69Å; F24-Y209 HydrophobicContact CD2-CG 3.69Å; F24-Y209 HydrophobicContact CE2-CD1 4.39Å; F24-Y209 HydrophobicContact CE2-CG 4.43Å; F24-Y209 HydrophobicContact CG-CD2 4.36Å; F24-Y209 HydrophobicContact CG-CE2 4.31Å; F24-Y209 VanDerWaalsContact N-CE2 3.3Å; L136-Y209 HydrophobicContact CD1-CE1 4.5Å; A166-Y209 HydrophobicContact CB-CD1 3.54Å; A166-Y209 HydrophobicContact CB-CE1 3.43Å; A166-Y209 VanDerWaalsContact CB-CE1 3.43Å; V202-Y209 HydrophobicContact CG1-CE1 4.47Å; F206-Y209 WeakPolarHBondContact O-CB 3.4Å; F206-Y209 PolarHBondContact O-N 3.26Å; N207-Y209 VanDerWaalsContact C-N 3.29Å; N207-Y209 PolarHBondContact O-N 3.08Å; Y209-N211 PolarHBondContact O-N 3.02Å; Y209-K212 PolarHBondContact O-N 2.92Å; Y209-L213 HydrophobicContact CD1-CD1 3.63Å; Y209-L213 HydrophobicContact CD1-CG 4.4Å; Y209-L213 HydrophobicContact CD2-CD1 4.31Å; Y209-L213 HydrophobicContact CD2-CG 4.22Å; Y209-L213 HydrophobicContact CE1-CD1 3.21Å; Y209-L213 HydrophobicContact CE1-CG 4.05Å; Y209-L213 HydrophobicContact CE2-CD1 3.95Å; Y209-L213 HydrophobicContact CE2-CD2 4.07Å; Y209-L213 HydrophobicContact CE2-CG 3.84Å; Y209-L213 HydrophobicContact CG-CD1 4.18Å; Y209-L213 HydrophobicContact CG-CG 4.5Å; Y209-L213 VanDerWaalsContact CZ-CD1 3.41Å; Y209-L213 WeakPolarHBondContact O-CG 3.33Å; Y209-L213 PolarHBondContact O-N 2.68Å |
| 210 | M | 88.1 | Confident | 83.3 | Confident | 52 Ų | 52 | 69.6 Ų | 69.6 | 26% | 0.256 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 178.1 | -164 | 62.1 | -162.1 | 0 | 0 | 112.2 | F206 N207 K212 L213 L214 | F206-M210 PolarHBondContact O-N 2.73Å; N207-M210 PolarHBondContact O-N 3.44Å; M210-K212 PolarHBondContact O-N 2.86Å; M210-L213 WeakPolarHBondContact O-CB 3.26Å; M210-L213 PolarHBondContact O-N 3.09Å; M210-L213 HydrophobicContact SD-CD1 4.33Å; M210-L214 HydrophobicContact CE-CD1 4.35Å; M210-L214 HydrophobicContact CE-CD2 3.98Å; M210-L214 HydrophobicContact CE-CG 4.08Å; M210-L214 HydrophobicContact CG-CD1 4.36Å; M210-L214 VanDerWaalsContact O-CG 3.31Å; M210-L214 WeakPolarHBondContact O-CG 3.29Å; M210-L214 PolarHBondContact O-N 3.1Å |
| 211 | N | 88.3 | Confident | 82.3 | Confident | 106 Ų | 106 | 70.9 Ų | 70.9 | 57% | 0.567 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.2 | -42.2 | 177.2 | -72.8 | -23 | 0 | 0 | 0 | 112.4 | N207 Y209 L214 S215 | N207-N211 PolarHBondContact O-N 2.86Å; N207-N211 PolarHBondContact O-ND2 2.84Å; Y209-N211 PolarHBondContact O-N 3.02Å; N211-L214 PolarHBondContact O-N 2.88Å; N211-S215 PolarHBondContact O-N 2.89Å; N211-S215 PolarHBondContact O-OG 2.96Å |
| 212 | K | 88.7 | Confident | 80.9 | Confident | 73 Ų | 73 | 74.4 Ų | 74.4 | 32% | 0.317 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.8 | -37.7 | 177.3 | -85.5 | 168.4 | 170.1 | 174.1 | 0 | 112.2 | L23 K26 C27 L208 Y209 M210 S215 T216 | L23-K212 HydrophobicContact CD2-CB 3.83Å; K26-K212 PolarHBondContact O-NZ 2.84Å; C27-K212 WeakPolarHBondContact SG-CD 3.37Å; L208-K212 PolarHBondContact O-N 3.05Å; Y209-K212 PolarHBondContact O-N 2.92Å; M210-K212 PolarHBondContact O-N 2.86Å; K212-S215 WeakPolarHBondContact CA-OG 3.39Å; K212-S215 PolarHBondContact O-N 3.12Å; K212-S215 PolarHBondContact O-OG 2.68Å; K212-T216 WeakPolarHBondContact O-CB 3.35Å; K212-T216 PolarHBondContact O-N 2.82Å; K212-T216 PolarHBondContact O-OG1 3.41Å |
| 213 | L | 85.3 | Confident | 79.2 | Confident | 8 Ų | 8 | 77.5 Ų | 77.5 | 4% | 0.042 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -60.3 | -50.9 | 172 | -78.3 | 169.4 | 0 | 0 | 0 | 111.5 | L23 V202 Y209 M210 S215 T216 F217 | L23-L213 HydrophobicContact CD1-CD2 4.25Å; V202-L213 HydrophobicContact CB-CD1 4.44Å; V202-L213 HydrophobicContact CG1-CD1 3.39Å; Y209-L213 HydrophobicContact CD1-CD1 3.63Å; Y209-L213 HydrophobicContact CD1-CG 4.4Å; Y209-L213 HydrophobicContact CD2-CD1 4.31Å; Y209-L213 HydrophobicContact CD2-CG 4.22Å; Y209-L213 HydrophobicContact CE1-CD1 3.21Å; Y209-L213 HydrophobicContact CE1-CG 4.05Å; Y209-L213 HydrophobicContact CE2-CD1 3.95Å; Y209-L213 HydrophobicContact CE2-CD2 4.07Å; Y209-L213 HydrophobicContact CE2-CG 3.84Å; Y209-L213 HydrophobicContact CG-CD1 4.18Å; Y209-L213 HydrophobicContact CG-CG 4.5Å; Y209-L213 VanDerWaalsContact CZ-CD1 3.41Å; Y209-L213 WeakPolarHBondContact O-CG 3.33Å; Y209-L213 PolarHBondContact O-N 2.68Å; M210-L213 WeakPolarHBondContact O-CB 3.26Å; M210-L213 PolarHBondContact O-N 3.09Å; M210-L213 HydrophobicContact SD-CD1 4.33Å; L213-S215 PolarHBondContact O-N 2.84Å; L213-T216 PolarHBondContact O-N 3.09Å; L213-F217 HydrophobicContact CD2-CD2 3.65Å; L213-F217 HydrophobicContact CD2-CE2 3.53Å; L213-F217 PolarHBondContact O-N 3.06Å |
| 214 | L | 84.9 | Confident | 77.2 | Confident | 46 Ų | 46 | 80.9 Ų | 80.9 | 24% | 0.241 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -60.8 | -33.7 | 178.4 | -67.2 | 172 | 0 | 0 | 0 | 112.1 | M210 N211 G218 R219 | M210-L214 HydrophobicContact CE-CD1 4.35Å; M210-L214 HydrophobicContact CE-CD2 3.98Å; M210-L214 HydrophobicContact CE-CG 4.08Å; M210-L214 HydrophobicContact CG-CD1 4.36Å; M210-L214 VanDerWaalsContact O-CG 3.31Å; M210-L214 WeakPolarHBondContact O-CG 3.29Å; M210-L214 PolarHBondContact O-N 3.1Å; N211-L214 PolarHBondContact O-N 2.88Å; L214-G218 CarbonylContact O-C 3.56Å; L214-G218 WeakPolarHBondContact O-CA 3.4Å; L214-G218 PolarHBondContact O-N 2.83Å; L214-R219 HydrophobicContact CD2-CG 4.24Å |
| 215 | S | 84.6 | Confident | 74.9 | Confident | 94 Ų | 94 | 87.3 Ų | 87.3 | 66% | 0.657 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -72.8 | -28.2 | 174.2 | 72.6 | 0 | 0 | 0 | 0 | 113.6 | N211 K212 L213 | N211-S215 PolarHBondContact O-N 2.89Å; N211-S215 PolarHBondContact O-OG 2.96Å; K212-S215 WeakPolarHBondContact CA-OG 3.39Å; K212-S215 PolarHBondContact O-N 3.12Å; K212-S215 PolarHBondContact O-OG 2.68Å; L213-S215 PolarHBondContact O-N 2.84Å |
| 216 | T | 80.7 | Confident | 73 | Confident | 76 Ų | 76 | 87.6 Ų | 87.6 | 47% | 0.466 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -90 | -45.1 | -175.9 | -54.1 | 0 | 0 | 0 | 0 | 112.1 | L23 K212 L213 | L23-T216 HydrophobicContact CD1-CG2 3.99Å; K212-T216 WeakPolarHBondContact O-CB 3.35Å; K212-T216 PolarHBondContact O-N 2.82Å; K212-T216 PolarHBondContact O-OG1 3.41Å; L213-T216 PolarHBondContact O-N 3.09Å |
| 217 | F | 76.4 | Confident | 71.3 | Confident | 101 Ų | 101 | 92 Ų | 92 | 44% | 0.443 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -100.2 | -1.8 | -176 | -62.9 | -68.5 | 0 | 0 | 0 | 112.8 | D19 L23 L213 | D19-F217 HydrophobicContact CB-CZ 4.04Å; L23-F217 HydrophobicContact CD1-CE2 3.82Å; L23-F217 HydrophobicContact CD1-CZ 4.38Å; L213-F217 HydrophobicContact CD2-CD2 3.65Å; L213-F217 HydrophobicContact CD2-CE2 3.53Å; L213-F217 PolarHBondContact O-N 3.06Å |
| 218 | G | 75.1 | Confident | 69.7 | Low | 37 Ų | 37 | 89 Ų | 89 | 38% | 0.381 | 49% | 0.494 | S | S | . | . | trans | 80.7 | 168.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112 | L214 | L214-G218 CarbonylContact O-C 3.56Å; L214-G218 WeakPolarHBondContact O-CA 3.4Å; L214-G218 PolarHBondContact O-N 2.83Å | ||
| 219 | R | 71.8 | Confident | 68.3 | Low | 213 Ų | 213 | 89.1 Ų | 89.1 | 80% | 0.804 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 141.6 | 165.6 | -66.9 | -171.9 | 175.4 | -160.3 | -0.9 | 108 | L214 A221 | L214-R219 HydrophobicContact CD2-CG 4.24Å; R219-A221 PolarHBondContact O-N 2.95Å |
| 220 | P | 65.4 | Low | 67.1 | Low | 108 Ų | 108 | 93.9 Ų | 93.9 | 70% | 0.701 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 122.2 | 168.7 | 22 | -29.1 | 0 | 0 | 0 | 107 | L222 | P220-L222 PolarHBondContact O-N 3.06Š|
| 221 | A | 58.6 | Low | 66.7 | Low | 91 Ų | 91 | 99.9 Ų | 99.9 | 75% | 0.752 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 117.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 104.8 | R219 | R219-A221 PolarHBondContact O-N 2.95Š|
| 222 | L | 50.6 | Low | 66.6 | Low | 150 Ų | 150 | 95.9 Ų | 95.9 | 79% | 0.785 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -46.7 | 137 | 162.7 | -77.5 | 165.5 | 0 | 0 | 0 | 105.7 | P220 V224 | P220-L222 PolarHBondContact O-N 3.06Å; L222-V224 PolarHBondContact O-N 3.33Å |
| 223 | P | 48.7 | Very low | 66.5 | Low | 113 Ų | 113 | 98 Ų | 98 | 73% | 0.734 | 53% | 0.533 | S | S | * | . | trans | -55.9 | 101.7 | 171.5 | 23.3 | -29.9 | 0 | 0 | 0 | 105.1 | Q225 | P223-Q225 VanDerWaalsContact C-N 3.3Å; P223-Q225 PolarHBondContact O-N 2.77Å | ||
| 224 | V | 45.9 | Very low | 66.5 | Low | 107 Ų | 107 | 97.8 Ų | 97.8 | 65% | 0.648 | 53% | 0.532 | S | S | * | . | trans | -56.3 | 111 | 168.6 | 177.2 | 0 | 0 | 0 | 0 | 101 | L222 P226 R506 | L222-V224 PolarHBondContact O-N 3.33Å; V224-P226 WeakPolarHBondContact O-CD 3.46Å; V224-R506 PolarHBondContact O-NH1 3.36Å; V224-R506 VanDerWaalsContact O-NH1 3.15Å; V224-R506 PolarHBondContact O-NH2 3.04Å | ||
| 225 | Q | 42.7 | Very low | 66.6 | Low | 168 Ų | 168 | 102.2 Ų | 102.2 | 79% | 0.785 | 55% | 0.55 | S | S | * | . | trans | -49.2 | 114.6 | 173.4 | -95.2 | -171.6 | -23.7 | 0 | 0 | 104.7 | P223 D227 | P223-Q225 VanDerWaalsContact C-N 3.3Å; P223-Q225 PolarHBondContact O-N 2.77Å; Q225-D227 VanDerWaalsContact C-N 3.28Å; Q225-D227 PolarHBondContact O-N 3.12Å | ||
| 226 | P | 47.8 | Very low | 66.9 | Low | 60 Ų | 60 | 97.8 Ų | 97.8 | 39% | 0.39 | 52% | 0.518 | S | S | . | . | trans | -68.3 | 106.9 | 170.2 | 22.1 | -17.2 | 0 | 0 | 0 | 103.8 | V224 I228 R506 | V224-P226 WeakPolarHBondContact O-CD 3.46Å; P226-I228 HydrophobicContact CB-CB 4.27Å; P226-I228 HydrophobicContact CB-CD1 4.23Å; P226-I228 HydrophobicContact CB-CG1 3.84Å; P226-I228 PolarHBondContact O-N 2.98Å; P226-R506 VanDerWaalsContact CA-NH2 3.27Å; P226-R506 VanDerWaalsContact CG-CZ 3.4Å | ||
| 227 | D | 49.2 | Very low | 67.2 | Low | 122 Ų | 122 | 98.7 Ų | 98.7 | 65% | 0.652 | 51% | 0.513 | S | S | * | . | trans | -68 | 59.1 | 140.5 | -79.9 | -14.3 | 0 | 0 | 0 | 107.6 | Q225 V229 | Q225-D227 VanDerWaalsContact C-N 3.28Å; Q225-D227 PolarHBondContact O-N 3.12Å; D227-V229 HydrophobicContact CB-CG2 3.76Å; D227-V229 PolarHBondContact O-N 2.96Å | ||
| 228 | I | 53.8 | Low | 67.8 | Low | 59 Ų | 59 | 99.2 Ų | 99.2 | 30% | 0.303 | 52% | 0.515 | S | S | . | . | trans | -70.9 | 77.5 | 143.9 | -61.8 | 171.9 | 0 | 0 | 0 | 102.5 | P226 F230 | P226-I228 HydrophobicContact CB-CB 4.27Å; P226-I228 HydrophobicContact CB-CD1 4.23Å; P226-I228 HydrophobicContact CB-CG1 3.84Å; P226-I228 PolarHBondContact O-N 2.98Å; I228-F230 HydrophobicContact CG2-CD1 3.99Å; I228-F230 HydrophobicContact CG2-CE1 3.63Å; I228-F230 HydrophobicContact CG2-CE2 4.25Å; I228-F230 HydrophobicContact CG2-CG 4.45Å; I228-F230 HydrophobicContact CG2-CZ 3.78Å; I228-F230 PolarHBondContact O-N 2.92Å | ||
| 229 | V | 58.1 | Low | 68.5 | Low | 87 Ų | 87 | 97.6 Ų | 97.6 | 53% | 0.527 | 50% | 0.498 | S | S | . | . | trans | -68.4 | 98.4 | 168.7 | 175.8 | 0 | 0 | 0 | 0 | 103.5 | D227 W231 | D227-V229 HydrophobicContact CB-CG2 3.76Å; D227-V229 PolarHBondContact O-N 2.96Å; V229-W231 PolarHBondContact O-N 3.36Å; V229-W231 VanDerWaalsContact O-N 3.15Å | ||
| 230 | F | 64.8 | Low | 69.2 | Low | 101 Ų | 101 | 93 Ų | 93 | 44% | 0.443 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 119.3 | 165.9 | -63.8 | -69.2 | 0 | 0 | 0 | 106.3 | I228 G232 T512 S525 A527 | I228-F230 HydrophobicContact CG2-CD1 3.99Å; I228-F230 HydrophobicContact CG2-CE1 3.63Å; I228-F230 HydrophobicContact CG2-CE2 4.25Å; I228-F230 HydrophobicContact CG2-CG 4.45Å; I228-F230 HydrophobicContact CG2-CZ 3.78Å; I228-F230 PolarHBondContact O-N 2.92Å; F230-G232 PolarHBondContact O-N 2.89Å; F230-T512 HydrophobicContact CE1-CG2 3.77Å; F230-S525 WeakPolarHBondContact CA-O 3.01Å; F230-A527 HydrophobicContact CD1-CB 4.09Å; F230-A527 HydrophobicContact CE1-CB 4.28Å |
| 231 | W | 79.8 | Confident | 70.1 | Confident | 178 Ų | 178 | 88.4 Ų | 88.4 | 67% | 0.674 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.2 | -22.7 | 173.1 | -96.5 | 74.1 | 0 | 0 | 0 | 111.5 | V229 I524 S525 F526 | V229-W231 PolarHBondContact O-N 3.36Å; V229-W231 VanDerWaalsContact O-N 3.15Å; W231-I524 HydrophobicContact CB-CG2 3.51Å; W231-I524 HydrophobicContact CD2-CG2 4.08Å; W231-I524 HydrophobicContact CG-CB 4.48Å; W231-I524 HydrophobicContact CG-CG1 4.49Å; W231-I524 HydrophobicContact CG-CG2 3.42Å; W231-I524 VanDerWaalsContact CG-CG2 3.42Å; W231-S525 PolarHBondContact N-O 3.03Å; W231-F526 HydrophobicContact CB-CE1 4.17Å |
| 232 | G | 85.1 | Confident | 71.3 | Confident | 22 Ų | 22 | 88.4 Ų | 88.4 | 23% | 0.227 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.7 | -162.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F230 F526 A527 | F230-G232 PolarHBondContact O-N 2.89Å; G232-F526 WeakPolarHBondContact O-CA 3.25Å; G232-A527 PolarHBondContact O-N 2.9Å |
| 233 | H | 86.5 | Confident | 73 | Confident | 117 Ų | 117 | 84.8 Ų | 84.8 | 54% | 0.542 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 142.6 | 179.9 | -66.1 | -109.4 | 0 | 0 | 0 | 109.9 | A527 D529 | H233-A527 CarbonylContact C-O 3.58Å; H233-A527 WeakPolarHBondContact CA-O 3.36Å; H233-D529 WeakPolarHBondContact CB-OD2 3.21Å; H233-D529 IonicContact CE1-OD1 3.9Å; H233-D529 IonicContact CE1-OD2 3.39Å; H233-D529 IonicContact CG-OD1 3.58Å; H233-D529 IonicContact CG-OD2 3.98Å; H233-D529 VanDerWaalsContact CG-OD2 3.24Å; H233-D529 IonicContact ND1-OD1 2.87Å; H233-D529 PolarHBondContact ND1-OD1 3.24Å; H233-D529 IonicContact ND1-OD2 2.94Å; H233-D529 PolarHBondContact ND1-OD2 3.04Å |
| 234 | V | 87 | Confident | 74.3 | Confident | 3 Ų | 3 | 84.5 Ų | 84.5 | 2% | 0.018 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130.1 | 172.2 | 176.5 | 0 | 0 | 0 | 0 | 108 | L513 F526 A527 D529 V585 D586 P588 | V234-L513 HydrophobicContact CB-CD1 4.29Å; V234-L513 HydrophobicContact CG1-CD1 4.12Å; V234-F526 HydrophobicContact CG2-CB 3.65Å; V234-F526 HydrophobicContact CG2-CD1 4.03Å; V234-F526 HydrophobicContact CG2-CG 3.84Å; V234-A527 PolarHBondContact N-O 2.75Å; V234-D529 PolarHBondContact O-N 2.99Å; V234-V585 HydrophobicContact CG1-CG1 3.4Å; V234-V585 VanDerWaalsContact CG1-CG1 3.4Å; V234-D586 WeakPolarHBondContact CG1-O 3.17Å; V234-P588 HydrophobicContact CG2-CG 4.2Å |
| 235 | K | 86.9 | Confident | 75.7 | Confident | 140 Ų | 140 | 79.7 Ų | 79.7 | 61% | 0.609 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 135.8 | 176.3 | -68.1 | -168.3 | 173.2 | -161.2 | 0 | 110.6 | ||
| 236 | A | 89 | Confident | 76.9 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 133.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | V528 D529 L530 D531 L583 H584 V585 | A236-V528 HydrophobicContact CB-CG1 3.5Å; A236-D529 PolarHBondContact N-O 2.81Å; A236-L530 HydrophobicContact CB-CD2 4.22Å; A236-D531 PolarHBondContact O-N 3.1Å; A236-L583 HydrophobicContact CB-CD2 4.41Å; A236-H584 WeakPolarHBondContact CA-O 3.44Å; A236-V585 HydrophobicContact CB-CG2 3.99Å |
| 237 | R | 88.8 | Confident | 77.8 | Confident | 95 Ų | 95 | 77.4 Ų | 77.4 | 36% | 0.358 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 143.2 | 175.3 | 67.8 | -177.8 | 178.7 | 120.5 | -1.2 | 110.5 | Q289 H584 | R237-Q289 VanDerWaalsContact NH2-NE2 3.17Å; R237-H584 HydrophobicContact CG-CB 3.76Å; R237-H584 PolarHBondContact N-O 3.07Å; R237-H584 PolarHBondContact NE-ND1 3.22Å; R237-H584 PolarHBondContact NH2-CE1 2.9Å; R237-H584 PolarHBondContact NH2-NE2 3.4Å; R237-H584 PolarHBondContact O-N 3.33Å |
| 238 | K | 89.2 | Confident | 79.2 | Confident | 112 Ų | 112 | 72.8 Ų | 72.8 | 49% | 0.487 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 129.1 | 168.5 | -179.4 | 175 | 176.5 | -178.6 | 0 | 108.9 | F581 | K238-F581 HydrophobicContact CB-CD2 4.43Å; K238-F581 HydrophobicContact CD-CB 4.29Å; K238-F581 HydrophobicContact CD-CD1 4.01Å; K238-F581 HydrophobicContact CD-CD2 4.3Å; K238-F581 HydrophobicContact CD-CE1 4.42Å; K238-F581 HydrophobicContact CD-CG 3.95Å; K238-F581 HydrophobicContact CG-CB 3.89Å; K238-F581 HydrophobicContact CG-CD1 4.36Å; K238-F581 HydrophobicContact CG-CD2 3.84Å; K238-F581 HydrophobicContact CG-CE2 4.46Å; K238-F581 HydrophobicContact CG-CG 3.78Å |
| 239 | V | 88.9 | Confident | 80.7 | Confident | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.024 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 124.8 | 173 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | T241 F284 Q289 Y563 F582 H584 | V239-T241 HydrophobicContact CG1-CG2 3.8Å; V239-T241 PolarHBondContact O-N 3.22Å; V239-F284 HydrophobicContact CG1-CE2 4.17Å; V239-F284 HydrophobicContact CG1-CZ 4.18Å; V239-Q289 HydrophobicContact CG1-CB 3.97Å; V239-Q289 HydrophobicContact CG1-CG 4.13Å; V239-Y563 HydrophobicContact CG2-CD1 4.27Å; V239-Y563 HydrophobicContact CG2-CE1 4.13Å; V239-F582 HydrophobicContact CB-CB 3.87Å; V239-F582 HydrophobicContact CG2-CB 3.87Å; V239-F582 PolarHBondContact N-O 3.26Å; V239-H584 HydrophobicContact CG2-CB 3.63Å |
| 240 | V | 86.1 | Confident | 82.2 | Confident | 117 Ų | 117 | 66 Ų | 66 | 71% | 0.709 | 34% | 0.336 | S | S | * | . | trans | -89.8 | 103 | 173 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 241 | T | 85 | Confident | 83.3 | Confident | 10 Ų | 10 | 61.6 Ų | 61.6 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | trans | -91 | 150.8 | -177.8 | 65.1 | 0 | 0 | 0 | 0 | 112.4 | V239 P243 P244 Y245 F284 Q289 I291 | V239-T241 HydrophobicContact CG1-CG2 3.8Å; V239-T241 PolarHBondContact O-N 3.22Å; T241-P243 CarbonylContact C-O 3.35Å; T241-P243 VanDerWaalsContact C-O 3.25Å; T241-P243 WeakPolarHBondContact CB-O 3.21Å; T241-P243 CarbonylContact O-C 3.59Å; T241-P243 PolarHBondContact OG1-O 3.35Å; T241-P244 WeakPolarHBondContact O-CA 3.37Å; T241-P244 WeakPolarHBondContact OG1-CA 3.49Å; T241-Y245 PolarHBondContact OG1-N 2.85Å; T241-F284 HydrophobicContact CG2-CD2 4.34Å; T241-F284 HydrophobicContact CG2-CE2 3.89Å; T241-Q289 VanDerWaalsContact CA-O 3.25Å; T241-Q289 WeakPolarHBondContact CA-O 3.43Å; T241-I291 HydrophobicContact CG2-CD1 4.27Å | ||
| 242 | S | 83 | Confident | 84 | Confident | 92 Ų | 92 | 53.1 Ų | 53.1 | 64% | 0.643 | 29% | 0.286 | S | S | * | . | B | Isolated β-bridge | trans | -114.2 | 115.1 | 168.3 | -172.7 | 0 | 0 | 0 | 0 | 110 | Q289 S290 I291 | S242-Q289 PolarHBondContact N-O 2.83Å; S242-S290 WeakPolarHBondContact O-CA 3.45Å; S242-I291 PolarHBondContact O-N 2.73Å; S242-I291 VanDerWaalsContact O-N 3.13Å |
| 243 | P | 86.3 | Confident | 84.5 | Confident | 74 Ų | 74 | 54.3 Ų | 54.3 | 48% | 0.481 | 28% | 0.283 | S | S | . | . | S | Bend | cis | -68.3 | 166.5 | -9.8 | 33.5 | -31.6 | 0 | 0 | 0 | 111.7 | T241 Y245 I291 | T241-P243 CarbonylContact C-O 3.35Å; T241-P243 VanDerWaalsContact C-O 3.25Å; T241-P243 WeakPolarHBondContact CB-O 3.21Å; T241-P243 CarbonylContact O-C 3.59Å; T241-P243 PolarHBondContact OG1-O 3.35Å; P243-Y245 PolarHBondContact O-N 3.03Å; P243-I291 WeakPolarHBondContact CD-O 3.44Å; P243-I291 HydrophobicContact CG-CG2 4.42Å |
| 244 | P | 77.1 | Confident | 84.9 | Confident | 106 Ų | 106 | 49.4 Ų | 49.4 | 69% | 0.688 | 26% | 0.262 | S | S | * | . | trans | -57 | 130.8 | 177.1 | -25.2 | 34.4 | 0 | 0 | 0 | 111.5 | T241 N246 | T241-P244 WeakPolarHBondContact O-CA 3.37Å; T241-P244 WeakPolarHBondContact OG1-CA 3.49Å; P244-N246 VanDerWaalsContact C-N 3.35Å; P244-N246 PolarHBondContact O-N 3.09Å | ||
| 245 | Y | 74.2 | Confident | 85.4 | Confident | 7 Ų | 7 | 49.8 Ų | 49.8 | 3% | 0.027 | 26% | 0.264 | C | S | . | . | trans | -70.3 | 91.9 | 175.8 | 179 | -106.4 | 0 | 0 | 0 | 109.8 | T241 P243 Q247 R249 I282 I291 P580 F582 | T241-Y245 PolarHBondContact OG1-N 2.85Å; P243-Y245 PolarHBondContact O-N 3.03Å; Y245-Q247 HydrophobicContact CD2-CB 4.35Å; Y245-Q247 WeakPolarHBondContact CE1-O 3.21Å; Y245-Q247 HydrophobicContact CE2-CB 3.83Å; Y245-Q247 HydrophobicContact CE2-CG 4.42Å; Y245-Q247 PolarHBondContact OH-O 2.96Å; Y245-R249 WeakPolarHBondContact OH-CB 3.2Å; Y245-I282 HydrophobicContact CE2-CD1 3.95Å; Y245-I291 HydrophobicContact CD2-CD1 3.56Å; Y245-I291 HydrophobicContact CE2-CD1 4.36Å; Y245-I291 HydrophobicContact CG-CD1 4.05Å; Y245-P580 CarbonylContact O-C 3.54Å; Y245-P580 VanDerWaalsContact O-C 3.26Å; Y245-F582 HydrophobicContact CD1-CD2 4.03Å; Y245-F582 AromaticContact CD1-CE2 3.84Å; Y245-F582 HydrophobicContact CD1-CE2 3.84Å; Y245-F582 HydrophobicContact CD2-CD2 4.48Å; Y245-F582 AromaticContact CD2-CE2 3.63Å; Y245-F582 HydrophobicContact CD2-CE2 3.63Å; Y245-F582 HydrophobicContact CE1-CE2 4.09Å; Y245-F582 AromaticContact CE2-CE2 3.84Å; Y245-F582 HydrophobicContact CE2-CE2 3.84Å; Y245-F582 HydrophobicContact CE2-CZ 4.43Å; Y245-F582 AromaticContact CG-CD2 3.98Å; Y245-F582 HydrophobicContact CG-CD2 3.98Å; Y245-F582 AromaticContact CG-CE2 3.58Å; Y245-F582 HydrophobicContact CG-CE2 3.58Å | ||
| 246 | N | 67.9 | Low | 85.8 | Confident | 124 Ų | 124 | 44 Ų | 44 | 66% | 0.663 | 24% | 0.243 | S | C | * | . | trans | -110.5 | 38.2 | 177.7 | -161.2 | 19.2 | 0 | 0 | 0 | 111.7 | P244 | P244-N246 VanDerWaalsContact C-N 3.35Å; P244-N246 PolarHBondContact O-N 3.09Å | ||
| 247 | Q | 66.9 | Low | 86 | Confident | 55 Ų | 55 | 44.1 Ų | 44.1 | 26% | 0.257 | 24% | 0.243 | S | C | . | . | trans | -99.6 | 108.7 | 174.4 | -61.4 | -159.3 | 21.6 | 0 | 0 | 107.9 | Y245 R249 I282 | Y245-Q247 HydrophobicContact CD2-CB 4.35Å; Y245-Q247 WeakPolarHBondContact CE1-O 3.21Å; Y245-Q247 HydrophobicContact CE2-CB 3.83Å; Y245-Q247 HydrophobicContact CE2-CG 4.42Å; Y245-Q247 PolarHBondContact OH-O 2.96Å; Q247-R249 HydrophobicContact CB-CB 4.29Å; Q247-R249 PolarHBondContact O-N 2.87Å; Q247-I282 HydrophobicContact CG-CD1 4.44Å | ||
| 248 | D | 78.9 | Confident | 86.1 | Confident | 25 Ų | 25 | 41.4 Ų | 41.4 | 13% | 0.134 | 24% | 0.244 | C | C | . | . | trans | -64.9 | 56.6 | 169.6 | -71.8 | -24.5 | 0 | 0 | 0 | 110.8 | V268 H269 C578 | D248-V268 WeakPolarHBondContact O-CA 3.44Å; D248-H269 HydrophobicContact CB-CB 3.72Å; D248-H269 PolarHBondContact O-N 2.86Å; D248-H269 IonicContact OD2-ND1 2.93Å; D248-C578 HydrophobicContact CB-CB 3.84Å | ||
| 249 | R | 86.4 | Confident | 86.2 | Confident | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 123.6 | -171.2 | -176.9 | -175.8 | -64.4 | -141.8 | -2.2 | 109.8 | Y245 Q247 C252 G265 L267 N280 G566 | Y245-R249 WeakPolarHBondContact OH-CB 3.2Å; Q247-R249 HydrophobicContact CB-CB 4.29Å; Q247-R249 PolarHBondContact O-N 2.87Å; R249-C252 HydrophobicContact CG-CB 3.83Å; R249-G265 PolarHBondContact NH1-O 3.43Å; R249-L267 CarbonylContact C-O 3.45Å; R249-L267 VanDerWaalsContact CA-O 3.23Å; R249-L267 WeakPolarHBondContact CA-O 3.03Å; R249-N280 PolarHBondContact NH2-OD1 3.44Å; R249-G566 WeakPolarHBondContact O-CA 3.39Å |
| 250 | I | 87.9 | Confident | 86.4 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 158.7 | 179.6 | 60.2 | -174.3 | 0 | 0 | 0 | 110.9 | C252 G266 L267 Y275 N548 G567 F571 C578 | I250-C252 PolarHBondContact O-N 3.33Å; I250-G266 CarbonylContact O-C 3.53Å; I250-G266 WeakPolarHBondContact O-CA 3.16Å; I250-L267 HydrophobicContact CG1-CB 3.99Å; I250-L267 PolarHBondContact N-O 2.96Å; I250-L267 PolarHBondContact O-N 3.49Å; I250-Y275 HydrophobicContact CD1-CD1 4.11Å; I250-Y275 HydrophobicContact CD1-CE1 3.63Å; I250-Y275 HydrophobicContact CG1-CE1 4.4Å; I250-N548 HydrophobicContact CB-CB 4.12Å; I250-G567 VanDerWaalsContact CG2-C 3.43Å; I250-G567 WeakPolarHBondContact CG2-O 3.46Å; I250-F571 HydrophobicContact CD1-CD1 3.69Å; I250-F571 HydrophobicContact CD1-CE1 3.07Å; I250-F571 HydrophobicContact CD1-CZ 3.61Å; I250-F571 HydrophobicContact CG1-CE1 4.06Å; I250-F571 HydrophobicContact CG1-CZ 4.48Å; I250-C578 HydrophobicContact CG2-CB 4.44Å |
| 251 | N | 89.4 | Confident | 86.9 | Confident | 9 Ų | 9 | 33.4 Ų | 33.4 | 5% | 0.048 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 56 | 22.8 | -178.6 | -65.9 | -37.1 | 0 | 0 | 0 | 114.5 | V309 H310 N548 | N251-V309 HydrophobicContact CB-CB 4.32Å; N251-V309 HydrophobicContact CB-CG1 4.37Å; N251-H310 PolarHBondContact OD1-CE1 2.95Å; N251-H310 VanDerWaalsContact OD1-CE1 3.26Å; N251-N548 PolarHBondContact N-O 2.81Å; N251-N548 WeakPolarHBondContact OD1-CB 3.31Å; N251-N548 PolarHBondContact OD1-OD1 3.22Å; N251-N548 VanDerWaalsContact OD1-OD1 3.09Å |
| 252 | C | 92.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -75 | 169.8 | 170.6 | 64.3 | 0 | 0 | 0 | 0 | 110.8 | R249 I250 I263 G265 | R249-C252 HydrophobicContact CG-CB 3.83Å; I250-C252 PolarHBondContact O-N 3.33Å; C252-I263 HydrophobicContact CB-CG2 4Å; C252-G265 WeakPolarHBondContact CB-O 3.24Å | ||
| 253 | R | 95.8 | Very high | 88.1 | Confident | 47 Ų | 47 | 28.6 Ų | 28.6 | 18% | 0.177 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 156 | 172.3 | -69.2 | -71.9 | 177.2 | -120.7 | 15.4 | 110 | I263 I264 H311 V313 | R253-I263 WeakPolarHBondContact O-CA 3.44Å; R253-I264 PolarHBondContact N-O 2.89Å; R253-I264 VanDerWaalsContact N-O 3.1Å; R253-I264 PolarHBondContact O-N 2.88Å; R253-H311 VanDerWaalsContact CG-O 3.26Å; R253-H311 WeakPolarHBondContact CG-O 3.13Å; R253-H311 PolarHBondContact NE-O 3.2Å; R253-V313 HydrophobicContact CB-CB 4.29Å; R253-V313 HydrophobicContact CB-CG2 3.55Å |
| 254 | C | 96.5 | Very high | 88.5 | Confident | 14 Ų | 14 | 25 Ų | 25 | 10% | 0.095 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 169.4 | 177.2 | 66 | 0 | 0 | 0 | 0 | 113.3 | I261 V262 I263 C550 S551 F565 | C254-I261 HydrophobicContact CB-CG2 3.72Å; C254-V262 CarbonylContact C-O 3.55Å; C254-V262 WeakPolarHBondContact CA-O 3.27Å; C254-V262 WeakPolarHBondContact CB-O 3.16Å; C254-I263 HydrophobicContact CB-CG1 4.12Å; C254-C550 PolarHBondContact SG-SG 3.21Å; C254-S551 PolarHBondContact SG-O 2.8Å; C254-F565 HydrophobicContact CB-CE1 4.42Å; C254-F565 HydrophobicContact CB-CE2 4.49Å; C254-F565 HydrophobicContact CB-CZ 3.6Å; C254-F565 VanDerWaalsContact SG-CZ 3.5Å |
| 255 | V | 96.7 | Very high | 89.2 | Confident | 10 Ų | 10 | 20 Ų | 20 | 6% | 0.061 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 137.8 | 171.3 | 60.7 | 0 | 0 | 0 | 0 | 108.4 | L257 I261 V262 V313 R315 F321 | V255-L257 HydrophobicContact CG1-CD2 4.44Å; V255-L257 HydrophobicContact CG1-CG 4.33Å; V255-L257 HydrophobicContact CG2-CD2 4.05Å; V255-I261 WeakPolarHBondContact O-CA 3.26Å; V255-V262 HydrophobicContact CG1-CB 3.94Å; V255-V262 HydrophobicContact CG1-CG2 4.35Å; V255-V262 PolarHBondContact N-O 3.15Å; V255-V262 VanDerWaalsContact N-O 3.09Å; V255-V262 PolarHBondContact O-N 2.78Å; V255-V313 HydrophobicContact CB-CG1 3.76Å; V255-V313 HydrophobicContact CG1-CG1 3.58Å; V255-R315 HydrophobicContact CG2-CB 3.57Å; V255-R315 HydrophobicContact CG2-CG 4.36Å; V255-F321 HydrophobicContact CG1-CB 4Å; V255-F321 HydrophobicContact CG1-CD1 4.11Å; V255-F321 HydrophobicContact CG1-CD2 4.29Å; V255-F321 HydrophobicContact CG1-CG 3.88Å; V255-F321 HydrophobicContact CG2-CB 4.32Å |
| 256 | A | 95.3 | Very high | 90 | Very high | 20 Ų | 20 | 19.7 Ų | 19.7 | 17% | 0.165 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 129.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | H260 R315 A552 V554 | A256-H260 CarbonylContact C-O 3.49Å; A256-H260 WeakPolarHBondContact CA-O 3.48Å; A256-R315 WeakPolarHBondContact O-CD 3.45Å; A256-A552 HydrophobicContact CB-CB 4.44Å; A256-V554 HydrophobicContact CB-CG2 4.31Å |
| 257 | L | 94.2 | Very high | 90.8 | Very high | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 89 | 176.9 | -56.6 | 178.3 | 0 | 0 | 0 | 107.3 | V255 D259 H260 V262 R315 F321 L342 | V255-L257 HydrophobicContact CG1-CD2 4.44Å; V255-L257 HydrophobicContact CG1-CG 4.33Å; V255-L257 HydrophobicContact CG2-CD2 4.05Å; L257-D259 PolarHBondContact O-N 2.84Å; L257-H260 PolarHBondContact N-O 2.9Å; L257-H260 PolarHBondContact O-N 3.44Å; L257-H260 VanDerWaalsContact O-N 3.09Å; L257-V262 HydrophobicContact CD1-CG2 3.59Å; L257-V262 HydrophobicContact CG-CG2 4.25Å; L257-R315 HydrophobicContact CD2-CG 3.88Å; L257-F321 HydrophobicContact CD1-CD1 3.8Å; L257-F321 HydrophobicContact CD1-CE1 4.08Å; L257-L342 HydrophobicContact CD1-CB 3.98Å; L257-L342 HydrophobicContact CD1-CD2 4.48Å |
| 258 | G | 90.2 | Very high | 91.6 | Very high | 37 Ų | 37 | 13.3 Ų | 13.3 | 38% | 0.381 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | -128 | -167.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | H260 | G258-H260 VanDerWaalsContact C-N 3.25Å; G258-H260 PolarHBondContact O-N 3.2Å |
| 259 | D | 91.2 | Very high | 91.5 | Very high | 42 Ų | 42 | 13.7 Ų | 13.7 | 23% | 0.225 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -4.8 | 177.5 | -59.5 | -56.1 | 0 | 0 | 0 | 114.4 | L257 A286 Q287 T556 | L257-D259 PolarHBondContact O-N 2.84Å; D259-A286 VanDerWaalsContact O-CB 3.24Å; D259-A286 WeakPolarHBondContact O-CB 3.45Å; D259-A286 PolarHBondContact O-N 2.87Å; D259-Q287 HydrophobicContact CB-CG 4.08Å; D259-Q287 PolarHBondContact OD1-NE2 3.15Å; D259-Q287 PolarHBondContact OD2-NE2 3.49Å; D259-T556 WeakPolarHBondContact OD1-CG2 3.35Å |
| 260 | H | 93.8 | Very high | 90.8 | Very high | 24 Ų | 24 | 15.3 Ų | 15.3 | 11% | 0.111 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 134 | -177 | -65.4 | 83.1 | 0 | 0 | 0 | 111.2 | A256 L257 G258 F284 D285 R292 L342 | A256-H260 CarbonylContact C-O 3.49Å; A256-H260 WeakPolarHBondContact CA-O 3.48Å; L257-H260 PolarHBondContact N-O 2.9Å; L257-H260 PolarHBondContact O-N 3.44Å; L257-H260 VanDerWaalsContact O-N 3.09Å; G258-H260 VanDerWaalsContact C-N 3.25Å; G258-H260 PolarHBondContact O-N 3.2Å; H260-F284 CarbonylContact C-O 3.56Å; H260-F284 WeakPolarHBondContact CA-O 3.33Å; H260-D285 IonicContact NE2-OD2 3.59Å; H260-R292 PolarHBondContact NE2-NH2 3.24Å; H260-L342 HydrophobicContact CB-CD2 4.17Å |
| 261 | I | 95.7 | Very high | 90 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 118.5 | 169.3 | -55.7 | 176.1 | 0 | 0 | 0 | 108.3 | C254 V255 I263 F284 A552 V554 Y563 F565 | C254-I261 HydrophobicContact CB-CG2 3.72Å; V255-I261 WeakPolarHBondContact O-CA 3.26Å; I261-I263 HydrophobicContact CG2-CG1 3.97Å; I261-F284 HydrophobicContact CB-CB 4.28Å; I261-F284 HydrophobicContact CB-CD1 4.26Å; I261-F284 HydrophobicContact CD1-CD1 3.69Å; I261-F284 HydrophobicContact CD1-CE1 4.1Å; I261-F284 HydrophobicContact CG1-CD1 4.08Å; I261-F284 PolarHBondContact N-O 2.65Å; I261-F284 PolarHBondContact O-N 3.05Å; I261-A552 HydrophobicContact CD1-CB 3.79Å; I261-A552 HydrophobicContact CG1-CB 4.15Å; I261-A552 HydrophobicContact CG2-CB 4.16Å; I261-V554 HydrophobicContact CD1-CG2 3.81Å; I261-V554 HydrophobicContact CG1-CG2 3.85Å; I261-Y563 HydrophobicContact CD1-CD2 4.09Å; I261-Y563 HydrophobicContact CD1-CG 4.05Å; I261-F565 HydrophobicContact CG2-CE1 4.28Å; I261-F565 HydrophobicContact CG2-CZ 4.32Å |
| 262 | V | 96.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 126.2 | 172.7 | -172.5 | 0 | 0 | 0 | 0 | 108.8 | C254 V255 L257 I264 V281 L283 F321 L348 | C254-V262 CarbonylContact C-O 3.55Å; C254-V262 WeakPolarHBondContact CA-O 3.27Å; C254-V262 WeakPolarHBondContact CB-O 3.16Å; V255-V262 HydrophobicContact CG1-CB 3.94Å; V255-V262 HydrophobicContact CG1-CG2 4.35Å; V255-V262 PolarHBondContact N-O 3.15Å; V255-V262 VanDerWaalsContact N-O 3.09Å; V255-V262 PolarHBondContact O-N 2.78Å; L257-V262 HydrophobicContact CD1-CG2 3.59Å; L257-V262 HydrophobicContact CG-CG2 4.25Å; V262-I264 HydrophobicContact CG1-CD1 3.92Å; V262-I264 HydrophobicContact CG1-CG1 3.9Å; V262-V281 HydrophobicContact CG1-CG1 3.62Å; V262-L283 HydrophobicContact CB-CD2 4.31Å; V262-L283 HydrophobicContact CG1-CD2 4.31Å; V262-L283 HydrophobicContact CG2-CD2 3.74Å; V262-F321 HydrophobicContact CG1-CE1 4.4Å; V262-F321 HydrophobicContact CG1-CZ 4.08Å; V262-F321 HydrophobicContact CG2-CE1 4.37Å; V262-L348 HydrophobicContact CG1-CD1 3.86Å |
| 263 | I | 95.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 121.4 | -177.4 | -52.2 | 167.8 | 0 | 0 | 0 | 110 | C252 R253 C254 I261 I282 F565 F582 | C252-I263 HydrophobicContact CB-CG2 4Å; R253-I263 WeakPolarHBondContact O-CA 3.44Å; C254-I263 HydrophobicContact CB-CG1 4.12Å; I261-I263 HydrophobicContact CG2-CG1 3.97Å; I263-I282 HydrophobicContact CB-CB 4.19Å; I263-I282 HydrophobicContact CD1-CB 4.47Å; I263-I282 HydrophobicContact CD1-CG2 4.37Å; I263-I282 PolarHBondContact N-O 2.98Å; I263-I282 PolarHBondContact O-N 3.12Å; I263-F565 HydrophobicContact CB-CE2 4.41Å; I263-F565 HydrophobicContact CD1-CD2 4.01Å; I263-F565 HydrophobicContact CD1-CE1 4.46Å; I263-F565 HydrophobicContact CD1-CE2 3.54Å; I263-F565 HydrophobicContact CD1-CZ 3.78Å; I263-F565 HydrophobicContact CG1-CE2 3.75Å; I263-F565 HydrophobicContact CG1-CZ 3.74Å; I263-F565 HydrophobicContact CG2-CE2 3.79Å; I263-F565 HydrophobicContact CG2-CZ 4.46Å; I263-F582 HydrophobicContact CD1-CE1 3.98Å; I263-F582 HydrophobicContact CD1-CZ 3.52Å |
| 264 | I | 95 | Very high | 86.1 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 140.9 | -169.5 | -55 | 179.5 | 0 | 0 | 0 | 110.9 | R253 V262 V281 I305 T306 H311 F321 V323 F350 | R253-I264 PolarHBondContact N-O 2.89Å; R253-I264 VanDerWaalsContact N-O 3.1Å; R253-I264 PolarHBondContact O-N 2.88Å; V262-I264 HydrophobicContact CG1-CD1 3.92Å; V262-I264 HydrophobicContact CG1-CG1 3.9Å; I264-V281 HydrophobicContact CG1-CG1 3.88Å; I264-V281 HydrophobicContact CG1-CG2 4.17Å; I264-I305 HydrophobicContact CG2-CG2 4.05Å; I264-T306 HydrophobicContact CG2-CG2 4.35Å; I264-H311 PolarHBondContact O-CE1 3.15Å; I264-H311 PolarHBondContact O-NE2 2.91Å; I264-F321 HydrophobicContact CD1-CD2 4.43Å; I264-F321 HydrophobicContact CD1-CE2 3.42Å; I264-F321 VanDerWaalsContact CD1-CE2 3.42Å; I264-F321 HydrophobicContact CD1-CZ 3.83Å; I264-V323 HydrophobicContact CD1-CG2 4.15Å; I264-F350 HydrophobicContact CD1-CE1 4.15Å; I264-F350 HydrophobicContact CD1-CZ 4.03Å |
| 265 | G | 92.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | 58.2 | -152.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R249 C252 T306 | R249-G265 PolarHBondContact NH1-O 3.43Å; C252-G265 WeakPolarHBondContact CB-O 3.24Å; G265-T306 WeakPolarHBondContact CA-O 3.3Å | ||
| 266 | G | 89.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | 95.9 | -173.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I250 T277 C278 R308 | I250-G266 CarbonylContact O-C 3.53Å; I250-G266 WeakPolarHBondContact O-CA 3.16Å; G266-T277 CarbonylContact O-C 3.5Å; G266-T277 VanDerWaalsContact O-CA 3.3Å; G266-T277 WeakPolarHBondContact O-CA 3.36Å; G266-C278 PolarHBondContact O-N 3.16Å; G266-R308 PolarHBondContact N-O 3.41Å | ||
| 267 | L | 85.6 | Confident | 83.9 | Confident | 20 Ų | 20 | 39.5 Ų | 39.5 | 11% | 0.105 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 141.7 | 175.8 | -64 | 168.6 | 0 | 0 | 0 | 109.4 | R249 I250 Y275 R276 T277 V309 F571 | R249-L267 CarbonylContact C-O 3.45Å; R249-L267 VanDerWaalsContact CA-O 3.23Å; R249-L267 WeakPolarHBondContact CA-O 3.03Å; I250-L267 HydrophobicContact CG1-CB 3.99Å; I250-L267 PolarHBondContact N-O 2.96Å; I250-L267 PolarHBondContact O-N 3.49Å; L267-Y275 HydrophobicContact CB-CD1 4.01Å; L267-R276 CarbonylContact C-O 3.57Å; L267-R276 VanDerWaalsContact CA-O 3.3Å; L267-R276 WeakPolarHBondContact CA-O 3.47Å; L267-T277 HydrophobicContact CD2-CG2 4.05Å; L267-V309 HydrophobicContact CD1-CG1 4.26Å; L267-V309 HydrophobicContact CD2-CG1 3.93Å; L267-V309 HydrophobicContact CG-CG1 3.64Å; L267-F571 HydrophobicContact CD1-CE1 3.68Å; L267-F571 HydrophobicContact CD1-CZ 4.23Å |
| 268 | V | 83 | Confident | 83.6 | Confident | 25 Ų | 25 | 39.5 Ų | 39.5 | 15% | 0.152 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 136.6 | 170.9 | 64.7 | 0 | 0 | 0 | 0 | 109.8 | D248 Y275 R276 | D248-V268 WeakPolarHBondContact O-CA 3.44Å; V268-Y275 WeakPolarHBondContact O-CA 3.07Å; V268-R276 HydrophobicContact CG1-CG 3.64Å; V268-R276 PolarHBondContact N-O 2.91Å; V268-R276 PolarHBondContact O-N 2.84Å; V268-R276 VanDerWaalsContact O-N 3.09Å |
| 269 | H | 76.4 | Confident | 83.5 | Confident | 33 Ų | 33 | 41.1 Ų | 41.1 | 15% | 0.153 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 134.5 | 173 | 179 | -99.3 | 0 | 0 | 0 | 110.5 | D248 Y275 | D248-H269 HydrophobicContact CB-CB 3.72Å; D248-H269 PolarHBondContact O-N 2.86Å; D248-H269 IonicContact OD2-ND1 2.93Å; H269-Y275 HydrophobicContact CB-CD1 4.29Å; H269-Y275 HydrophobicContact CB-CE1 3.8Å; H269-Y275 AromaticContact CD2-CZ 3.92Å |
| 270 | C | 72.8 | Confident | 83.5 | Confident | 35 Ų | 35 | 40.3 Ų | 40.3 | 24% | 0.236 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 174 | 172.9 | -59.2 | 0 | 0 | 0 | 0 | 109.5 | V274 R276 | C270-V274 WeakPolarHBondContact CA-O 3.35Å; C270-V274 VanDerWaalsContact CB-O 3.25Å; C270-V274 WeakPolarHBondContact CB-O 3.36Å; C270-V274 PolarHBondContact N-O 3.06Å; C270-R276 WeakPolarHBondContact SG-CD 3.28Å; C270-R276 WeakPolarHBondContact SG-CG 3.41Å |
| 271 | E | 70.8 | Confident | 83.5 | Confident | 167 Ų | 167 | 39.2 Ų | 39.2 | 78% | 0.78 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 144 | 174.8 | -62.2 | -178.9 | -178.3 | 0 | 0 | 112.1 | ||
| 272 | K | 66.9 | Low | 83.4 | Confident | 180 Ų | 180 | 39.2 Ų | 39.2 | 78% | 0.783 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 38 | 175.2 | -51.6 | 174.3 | -179.4 | 171.7 | 0 | 115.7 | V274 | K272-V274 PolarHBondContact O-N 2.93Š|
| 273 | N | 60.7 | Low | 83.4 | Confident | 38 Ų | 38 | 39.2 Ų | 39.2 | 20% | 0.203 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 29.8 | 177.1 | -56.3 | -20.3 | 0 | 0 | 0 | 113.2 | S574 | N273-S574 WeakPolarHBondContact OD1-CA 3.11Å; N273-S574 WeakPolarHBondContact OD1-CB 3.21Å; N273-S574 PolarHBondContact OD1-N 2.88Å |
| 274 | V | 68.5 | Low | 83.3 | Confident | 72 Ų | 72 | 39.2 Ų | 39.2 | 44% | 0.436 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 132.5 | 175.7 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | C270 K272 | C270-V274 WeakPolarHBondContact CA-O 3.35Å; C270-V274 VanDerWaalsContact CB-O 3.25Å; C270-V274 WeakPolarHBondContact CB-O 3.36Å; C270-V274 PolarHBondContact N-O 3.06Å; K272-V274 PolarHBondContact O-N 2.93Å |
| 275 | Y | 76.1 | Confident | 83.2 | Confident | 30 Ų | 30 | 39.4 Ų | 39.4 | 12% | 0.118 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 139.7 | 170.9 | -73.9 | -98.2 | 0 | 0 | 0 | 109.2 | I250 L267 V268 H269 N570 F571 | I250-Y275 HydrophobicContact CD1-CD1 4.11Å; I250-Y275 HydrophobicContact CD1-CE1 3.63Å; I250-Y275 HydrophobicContact CG1-CE1 4.4Å; L267-Y275 HydrophobicContact CB-CD1 4.01Å; V268-Y275 WeakPolarHBondContact O-CA 3.07Å; H269-Y275 HydrophobicContact CB-CD1 4.29Å; H269-Y275 HydrophobicContact CB-CE1 3.8Å; H269-Y275 AromaticContact CD2-CZ 3.92Å; Y275-N570 PolarHBondContact OH-O 3.17Å; Y275-F571 HydrophobicContact CD1-CD1 4.04Å; Y275-F571 HydrophobicContact CD1-CE1 4.31Å; Y275-F571 HydrophobicContact CD2-CB 4.27Å; Y275-F571 AromaticContact CD2-CD1 3.65Å; Y275-F571 HydrophobicContact CD2-CD1 3.65Å; Y275-F571 HydrophobicContact CD2-CG 4.43Å; Y275-F571 AromaticContact CE1-CD1 3.97Å; Y275-F571 HydrophobicContact CE1-CD1 3.97Å; Y275-F571 HydrophobicContact CE1-CE1 4.4Å; Y275-F571 HydrophobicContact CE2-CB 3.85Å; Y275-F571 AromaticContact CE2-CD1 3.59Å; Y275-F571 HydrophobicContact CE2-CD1 3.59Å; Y275-F571 HydrophobicContact CE2-CG 4.18Å; Y275-F571 AromaticContact CG-CD1 3.87Å; Y275-F571 HydrophobicContact CG-CD1 3.87Å; Y275-F571 HydrophobicContact CG-CE1 4.38Å; Y275-F571 AromaticContact CZ-CD1 3.73Å |
| 276 | R | 80.4 | Confident | 83.1 | Confident | 119 Ų | 119 | 39.7 Ų | 39.7 | 45% | 0.449 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 156.8 | 169.7 | 74.6 | -174.5 | 177.4 | 110.3 | -4.2 | 109.5 | L267 V268 C270 E279 | L267-R276 CarbonylContact C-O 3.57Å; L267-R276 VanDerWaalsContact CA-O 3.3Å; L267-R276 WeakPolarHBondContact CA-O 3.47Å; V268-R276 HydrophobicContact CG1-CG 3.64Å; V268-R276 PolarHBondContact N-O 2.91Å; V268-R276 PolarHBondContact O-N 2.84Å; V268-R276 VanDerWaalsContact O-N 3.09Å; C270-R276 WeakPolarHBondContact SG-CD 3.28Å; C270-R276 WeakPolarHBondContact SG-CG 3.41Å; R276-E279 IonicContact NH1-OE2 2.76Å; R276-E279 PolarHBondContact NH1-OE2 2.98Å |
| 277 | T | 84.8 | Confident | 83.1 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 143.1 | 171.3 | 58.1 | 0 | 0 | 0 | 0 | 111.5 | G266 L267 N307 | G266-T277 CarbonylContact O-C 3.5Å; G266-T277 VanDerWaalsContact O-CA 3.3Å; G266-T277 WeakPolarHBondContact O-CA 3.36Å; L267-T277 HydrophobicContact CD2-CG2 4.05Å; T277-N307 VanDerWaalsContact CG2-OD1 3.25Å; T277-N307 WeakPolarHBondContact CG2-OD1 3.43Å; T277-N307 PolarHBondContact OG1-ND2 3.2Å; T277-N307 VanDerWaalsContact OG1-ND2 3.14Å; T277-N307 PolarHBondContact OG1-OD1 2.96Å; T277-N307 VanDerWaalsContact OG1-OD1 3.05Å |
| 278 | C | 88.2 | Confident | 83.3 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | trans | -62.4 | 140.2 | 173.2 | -60.5 | 0 | 0 | 0 | 0 | 110.6 | G266 T306 | G266-C278 PolarHBondContact O-N 3.16Å; C278-T306 CarbonylContact O-C 3.6Å; C278-T306 VanDerWaalsContact O-CB 3.28Å; C278-T306 WeakPolarHBondContact O-CB 3.35Å; C278-T306 PolarHBondContact O-OG1 2.88Å | ||
| 279 | E | 89.1 | Confident | 83.7 | Confident | 71 Ų | 71 | 51.6 Ų | 51.6 | 33% | 0.332 | 24% | 0.242 | S | C | . | . | trans | -106.1 | -4.3 | 179.2 | -68.7 | -177.1 | 127.1 | 0 | 0 | 112.9 | R276 L302 K303 T306 | R276-E279 IonicContact NH1-OE2 2.76Å; R276-E279 PolarHBondContact NH1-OE2 2.98Å; E279-L302 WeakPolarHBondContact O-CD2 3.2Å; E279-L302 VanDerWaalsContact O-CG 3.3Å; E279-L302 WeakPolarHBondContact O-CG 3.21Å; E279-K303 WeakPolarHBondContact OE1-CE 3.32Å; E279-K303 IonicContact OE1-NZ 3.39Å; E279-K303 PolarHBondContact OE1-NZ 3.28Å; E279-T306 WeakPolarHBondContact CA-OG1 3.3Å; E279-T306 PolarHBondContact O-OG1 3.43Å; E279-T306 VanDerWaalsContact O-OG1 3.13Å | ||
| 280 | N | 91.3 | Very high | 84.5 | Confident | 24 Ų | 24 | 51 Ų | 51 | 13% | 0.128 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -120 | 164.5 | -176.4 | 60.8 | -16 | 0 | 0 | 0 | 113.2 | R249 E293 | R249-N280 PolarHBondContact NH2-OD1 3.44Å; N280-E293 HydrophobicContact CB-CG 4.02Å; N280-E293 WeakPolarHBondContact CB-OE1 3.25Å; N280-E293 PolarHBondContact ND2-OE2 3.48Å |
| 281 | V | 94 | Very high | 85.4 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | trans | -110.5 | 133.1 | 171.7 | 180 | 0 | 0 | 0 | 0 | 108.5 | V262 I264 A294 L302 T306 L348 F350 | V262-V281 HydrophobicContact CG1-CG1 3.62Å; I264-V281 HydrophobicContact CG1-CG1 3.88Å; I264-V281 HydrophobicContact CG1-CG2 4.17Å; V281-A294 HydrophobicContact CB-CB 4.09Å; V281-A294 HydrophobicContact CG1-CB 4.11Å; V281-A294 PolarHBondContact O-N 2.75Å; V281-L302 HydrophobicContact CG2-CD1 3.94Å; V281-T306 HydrophobicContact CG2-CG2 3.69Å; V281-L348 HydrophobicContact CB-CD1 4.16Å; V281-L348 HydrophobicContact CG1-CD1 3.38Å; V281-F350 HydrophobicContact CG2-CE2 4.29Å; V281-F350 HydrophobicContact CG2-CZ 4.2Å | ||
| 282 | I | 93.7 | Very high | 86.5 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 139.6 | 177.5 | -56.8 | 174.4 | 0 | 0 | 0 | 108.8 | Y245 Q247 I263 I291 R292 | Y245-I282 HydrophobicContact CE2-CD1 3.95Å; Q247-I282 HydrophobicContact CG-CD1 4.44Å; I263-I282 HydrophobicContact CB-CB 4.19Å; I263-I282 HydrophobicContact CD1-CB 4.47Å; I263-I282 HydrophobicContact CD1-CG2 4.37Å; I263-I282 PolarHBondContact N-O 2.98Å; I263-I282 PolarHBondContact O-N 3.12Å; I282-I291 HydrophobicContact CG2-CD1 4.39Å; I282-I291 HydrophobicContact CG2-CG1 3.78Å; I282-I291 HydrophobicContact CG2-CG2 4.39Å; I282-R292 WeakPolarHBondContact CA-O 3.24Å |
| 283 | L | 95 | Very high | 87.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129.1 | 164 | -62.2 | 172.5 | 0 | 0 | 0 | 108.5 | V262 I291 R292 A294 L342 L348 | V262-L283 HydrophobicContact CB-CD2 4.31Å; V262-L283 HydrophobicContact CG1-CD2 4.31Å; V262-L283 HydrophobicContact CG2-CD2 3.74Å; L283-I291 WeakPolarHBondContact O-CA 3.49Å; L283-R292 HydrophobicContact CB-CG 4.09Å; L283-R292 PolarHBondContact N-O 3.35Å; L283-R292 PolarHBondContact O-N 3.01Å; L283-A294 HydrophobicContact CD1-CB 3.86Å; L283-A294 HydrophobicContact CD2-CB 4.49Å; L283-A294 HydrophobicContact CG-CB 3.83Å; L283-L342 HydrophobicContact CD1-CD1 4.22Å; L283-L342 HydrophobicContact CD2-CD1 4.19Å; L283-L348 HydrophobicContact CD2-CD1 4.22Å |
| 284 | F | 94.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 123.4 | 167.5 | 170.4 | -97.9 | 0 | 0 | 0 | 108.9 | V239 T241 H260 I261 A286 S290 I291 Y563 F582 | V239-F284 HydrophobicContact CG1-CE2 4.17Å; V239-F284 HydrophobicContact CG1-CZ 4.18Å; T241-F284 HydrophobicContact CG2-CD2 4.34Å; T241-F284 HydrophobicContact CG2-CE2 3.89Å; H260-F284 CarbonylContact C-O 3.56Å; H260-F284 WeakPolarHBondContact CA-O 3.33Å; I261-F284 HydrophobicContact CB-CB 4.28Å; I261-F284 HydrophobicContact CB-CD1 4.26Å; I261-F284 HydrophobicContact CD1-CD1 3.69Å; I261-F284 HydrophobicContact CD1-CE1 4.1Å; I261-F284 HydrophobicContact CG1-CD1 4.08Å; I261-F284 PolarHBondContact N-O 2.65Å; I261-F284 PolarHBondContact O-N 3.05Å; F284-A286 HydrophobicContact CD1-CB 4.49Å; F284-A286 HydrophobicContact CE1-CB 3.97Å; F284-S290 WeakPolarHBondContact CA-O 3.21Å; F284-I291 HydrophobicContact CB-CD1 4.3Å; F284-I291 HydrophobicContact CB-CG1 3.92Å; F284-I291 HydrophobicContact CD2-CD1 3.85Å; F284-I291 HydrophobicContact CD2-CG1 3.86Å; F284-I291 HydrophobicContact CG-CD1 4.49Å; F284-I291 HydrophobicContact CG-CG1 4.38Å; F284-Y563 AromaticContact CE1-CD1 3.65Å; F284-Y563 HydrophobicContact CE1-CD1 3.65Å; F284-Y563 AromaticContact CE1-CE1 3.55Å; F284-Y563 HydrophobicContact CE1-CE1 3.55Å; F284-Y563 HydrophobicContact CE1-CG 4.17Å; F284-Y563 AromaticContact CZ-CD1 3.88Å; F284-Y563 HydrophobicContact CZ-CD1 3.88Å; F284-Y563 AromaticContact CZ-CE1 3.58Å; F284-Y563 HydrophobicContact CZ-CE1 3.58Å; F284-F582 HydrophobicContact CB-CE1 4.26Å; F284-F582 HydrophobicContact CB-CZ 4.32Å; F284-F582 HydrophobicContact CD1-CD1 4.49Å; F284-F582 HydrophobicContact CD1-CE1 4.25Å; F284-F582 HydrophobicContact CD2-CD1 4.48Å; F284-F582 HydrophobicContact CD2-CE1 4.28Å; F284-F582 HydrophobicContact CD2-CZ 4.41Å; F284-F582 HydrophobicContact CE1-CD1 4.47Å; F284-F582 HydrophobicContact CG-CD1 4.46Å; F284-F582 HydrophobicContact CG-CE1 4Å; F284-F582 HydrophobicContact CG-CZ 4.34Å; F284-F582 HydrophobicContact CZ-CD1 4.48Å |
| 285 | D | 93.5 | Very high | 90.4 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 110.6 | 174.7 | -177.9 | -36.7 | 0 | 0 | 0 | 107.9 | H260 Q287 K288 Q289 S290 | H260-D285 IonicContact NE2-OD2 3.59Å; D285-Q287 VanDerWaalsContact C-N 3.34Å; D285-Q287 PolarHBondContact O-N 2.57Å; D285-Q287 PolarHBondContact OD1-N 2.74Å; D285-Q287 VanDerWaalsContact OD1-N 3.15Å; D285-K288 HydrophobicContact CB-CB 4.28Å; D285-K288 PolarHBondContact OD1-N 3.09Å; D285-K288 WeakPolarHBondContact OD2-CD 3.39Å; D285-K288 WeakPolarHBondContact OD2-CE 3.26Å; D285-K288 WeakPolarHBondContact OD2-CG 3.5Å; D285-K288 IonicContact OD2-NZ 3.1Å; D285-K288 PolarHBondContact OD2-NZ 2.94Å; D285-Q289 WeakPolarHBondContact O-CA 3.24Å; D285-Q289 PolarHBondContact O-N 3.31Å; D285-S290 WeakPolarHBondContact CB-OG 3.22Å; D285-S290 PolarHBondContact N-O 2.71Å; D285-S290 PolarHBondContact O-N 3.14Å |
| 286 | A | 91 | Very high | 91.1 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 5% | 0.05 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -33.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D259 F284 V554 Y563 | D259-A286 VanDerWaalsContact O-CB 3.24Å; D259-A286 WeakPolarHBondContact O-CB 3.45Å; D259-A286 PolarHBondContact O-N 2.87Å; F284-A286 HydrophobicContact CD1-CB 4.49Å; F284-A286 HydrophobicContact CE1-CB 3.97Å; A286-V554 HydrophobicContact CB-CG1 4.03Å; A286-V554 HydrophobicContact CB-CG2 4.33Å; A286-Y563 HydrophobicContact CB-CE2 3.87Å; A286-Y563 PolarHBondContact O-OH 2.8Å |
| 287 | Q | 89 | Confident | 91.6 | Very high | 131 Ų | 131 | 39.3 Ų | 39.3 | 61% | 0.612 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -50 | 178.6 | -72.1 | -170.2 | 3.5 | 0 | 0 | 111.4 | D259 D285 Q289 | D259-Q287 HydrophobicContact CB-CG 4.08Å; D259-Q287 PolarHBondContact OD1-NE2 3.15Å; D259-Q287 PolarHBondContact OD2-NE2 3.49Å; D285-Q287 VanDerWaalsContact C-N 3.34Å; D285-Q287 PolarHBondContact O-N 2.57Å; D285-Q287 PolarHBondContact OD1-N 2.74Å; D285-Q287 VanDerWaalsContact OD1-N 3.15Å; Q287-Q289 VanDerWaalsContact C-N 3.25Å; Q287-Q289 PolarHBondContact O-N 2.94Å |
| 288 | K | 90.7 | Very high | 91.6 | Very high | 122 Ų | 122 | 41 Ų | 41 | 53% | 0.53 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -9.5 | -179.3 | -58.4 | -179.2 | -164.8 | 136.3 | 0 | 112.7 | D285 S290 E345 | D285-K288 HydrophobicContact CB-CB 4.28Å; D285-K288 PolarHBondContact OD1-N 3.09Å; D285-K288 WeakPolarHBondContact OD2-CD 3.39Å; D285-K288 WeakPolarHBondContact OD2-CE 3.26Å; D285-K288 WeakPolarHBondContact OD2-CG 3.5Å; D285-K288 IonicContact OD2-NZ 3.1Å; D285-K288 PolarHBondContact OD2-NZ 2.94Å; K288-S290 PolarHBondContact O-N 3.04Å; K288-E345 IonicContact NZ-OE2 3.67Å; K288-E345 PolarHBondContact NZ-OE2 3.49Å |
| 289 | Q | 90.9 | Very high | 91 | Very high | 42 Ų | 42 | 45.6 Ų | 45.6 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 38.5 | -170.4 | -56 | -165.6 | -22.5 | 0 | 0 | 111.9 | R237 V239 T241 S242 D285 Q287 | R237-Q289 VanDerWaalsContact NH2-NE2 3.17Å; V239-Q289 HydrophobicContact CG1-CB 3.97Å; V239-Q289 HydrophobicContact CG1-CG 4.13Å; T241-Q289 VanDerWaalsContact CA-O 3.25Å; T241-Q289 WeakPolarHBondContact CA-O 3.43Å; S242-Q289 PolarHBondContact N-O 2.83Å; D285-Q289 WeakPolarHBondContact O-CA 3.24Å; D285-Q289 PolarHBondContact O-N 3.31Å; Q287-Q289 VanDerWaalsContact C-N 3.25Å; Q287-Q289 PolarHBondContact O-N 2.94Å |
| 290 | S | 92.7 | Very high | 90.7 | Very high | 22 Ų | 22 | 49.4 Ų | 49.4 | 15% | 0.154 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 145.6 | -176.2 | 73.9 | 0 | 0 | 0 | 0 | 110.7 | S242 F284 D285 K288 R292 | S242-S290 WeakPolarHBondContact O-CA 3.45Å; F284-S290 WeakPolarHBondContact CA-O 3.21Å; D285-S290 WeakPolarHBondContact CB-OG 3.22Å; D285-S290 PolarHBondContact N-O 2.71Å; D285-S290 PolarHBondContact O-N 3.14Å; K288-S290 PolarHBondContact O-N 3.04Å; S290-R292 PolarHBondContact OG-NH1 2.89Å |
| 291 | I | 92.2 | Very high | 90.3 | Very high | 16 Ų | 16 | 49.5 Ų | 49.5 | 8% | 0.082 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 143.1 | 175.7 | -112.4 | 156.8 | 0 | 0 | 0 | 110.2 | T241 S242 P243 Y245 I282 L283 F284 F582 | T241-I291 HydrophobicContact CG2-CD1 4.27Å; S242-I291 PolarHBondContact O-N 2.73Å; S242-I291 VanDerWaalsContact O-N 3.13Å; P243-I291 WeakPolarHBondContact CD-O 3.44Å; P243-I291 HydrophobicContact CG-CG2 4.42Å; Y245-I291 HydrophobicContact CD2-CD1 3.56Å; Y245-I291 HydrophobicContact CE2-CD1 4.36Å; Y245-I291 HydrophobicContact CG-CD1 4.05Å; I282-I291 HydrophobicContact CG2-CD1 4.39Å; I282-I291 HydrophobicContact CG2-CG1 3.78Å; I282-I291 HydrophobicContact CG2-CG2 4.39Å; L283-I291 WeakPolarHBondContact O-CA 3.49Å; F284-I291 HydrophobicContact CB-CD1 4.3Å; F284-I291 HydrophobicContact CB-CG1 3.92Å; F284-I291 HydrophobicContact CD2-CD1 3.85Å; F284-I291 HydrophobicContact CD2-CG1 3.86Å; F284-I291 HydrophobicContact CG-CD1 4.49Å; F284-I291 HydrophobicContact CG-CG1 4.38Å; I291-F582 HydrophobicContact CD1-CD2 4.05Å; I291-F582 HydrophobicContact CD1-CE2 3.24Å; I291-F582 HydrophobicContact CD1-CZ 3.63Å |
| 292 | R | 92.5 | Very high | 90 | Very high | 55 Ų | 55 | 50.7 Ų | 50.7 | 21% | 0.208 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 155.3 | 175.3 | 55.8 | -167.5 | 176 | -111.8 | 5.6 | 110.9 | H260 I282 L283 S290 E345 N346 | H260-R292 PolarHBondContact NE2-NH2 3.24Å; I282-R292 WeakPolarHBondContact CA-O 3.24Å; L283-R292 HydrophobicContact CB-CG 4.09Å; L283-R292 PolarHBondContact N-O 3.35Å; L283-R292 PolarHBondContact O-N 3.01Å; S290-R292 PolarHBondContact OG-NH1 2.89Å; R292-E345 PolarHBondContact NH2-O 2.86Å; R292-N346 WeakPolarHBondContact CD-OD1 3.25Å; R292-N346 PolarHBondContact NE-OD1 2.95Å; R292-N346 PolarHBondContact NH2-OD1 3.39Å; R292-N346 VanDerWaalsContact NH2-OD1 3.09Å |
| 293 | E | 92.4 | Very high | 89.7 | Confident | 123 Ų | 123 | 56.7 Ų | 56.7 | 58% | 0.575 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 133.6 | 166.4 | -172.5 | 156.6 | 155.7 | 0 | 0 | 109 | N280 | N280-E293 HydrophobicContact CB-CG 4.02Å; N280-E293 WeakPolarHBondContact CB-OE1 3.25Å; N280-E293 PolarHBondContact ND2-OE2 3.48Å |
| 294 | A | 92.5 | Very high | 89.4 | Confident | 9 Ų | 9 | 62.3 Ų | 62.3 | 7% | 0.074 | 31% | 0.309 | C | S | . | . | trans | -70.4 | 139.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | V281 L283 V296 L348 | V281-A294 HydrophobicContact CB-CB 4.09Å; V281-A294 HydrophobicContact CG1-CB 4.11Å; V281-A294 PolarHBondContact O-N 2.75Å; L283-A294 HydrophobicContact CD1-CB 3.86Å; L283-A294 HydrophobicContact CD2-CB 4.49Å; L283-A294 HydrophobicContact CG-CB 3.83Å; A294-V296 HydrophobicContact CB-CG2 4.42Å; A294-V296 PolarHBondContact O-N 2.98Å; A294-L348 HydrophobicContact CB-CD1 3.53Å; A294-L348 HydrophobicContact CB-CG 4.08Å | ||
| 295 | N | 93.4 | Very high | 89.3 | Confident | 88 Ų | 88 | 62.3 Ų | 62.3 | 47% | 0.471 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 107.3 | 166.9 | -177 | 16.4 | 0 | 0 | 0 | 109.1 | N346 E347 L348 | N295-N346 PolarHBondContact N-O 3.36Å; N295-E347 HydrophobicContact CB-CG 4.16Å; N295-E347 PolarHBondContact ND2-OE1 2.8Å; N295-E347 WeakPolarHBondContact O-CA 3.13Å; N295-L348 PolarHBondContact O-N 3.41Å |
| 296 | V | 92.2 | Very high | 89.2 | Confident | 8 Ų | 8 | 62.1 Ų | 62.1 | 5% | 0.048 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 108.2 | -179 | 179.4 | 0 | 0 | 0 | 0 | 109.8 | A294 N298 V299 L302 L348 F350 | A294-V296 HydrophobicContact CB-CG2 4.42Å; A294-V296 PolarHBondContact O-N 2.98Å; V296-N298 PolarHBondContact O-N 2.81Å; V296-N298 VanDerWaalsContact O-N 3.08Å; V296-V299 WeakPolarHBondContact O-CG2 3.35Å; V296-L302 HydrophobicContact CB-CD1 4.34Å; V296-L302 HydrophobicContact CG1-CD1 4.33Å; V296-L302 HydrophobicContact CG2-CD1 3.9Å; V296-L348 WeakPolarHBondContact CA-O 3.3Å; V296-L348 HydrophobicContact CG2-CB 4.35Å; V296-F350 HydrophobicContact CG1-CD2 3.76Å; V296-F350 HydrophobicContact CG1-CE2 4.07Å; V296-F350 HydrophobicContact CG2-CE2 4.15Å |
| 297 | M | 90.2 | Very high | 89.2 | Confident | 95 Ų | 95 | 63.5 Ų | 63.5 | 47% | 0.468 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -58.6 | -28.2 | -172.2 | -60.7 | -176.3 | 82.4 | 0 | 0 | 113.6 | V343 E347 L348 R349 | M297-V343 HydrophobicContact SD-CG2 4.24Å; M297-E347 HydrophobicContact CG-CB 4.43Å; M297-L348 PolarHBondContact N-O 3.3Å; M297-R349 HydrophobicContact SD-CB 4.28Å |
| 298 | N | 85.4 | Confident | 89.3 | Confident | 42 Ų | 42 | 57.2 Ų | 57.2 | 23% | 0.225 | 29% | 0.285 | C | S | . | . | trans | -121.3 | 72.6 | -177.5 | 60.3 | -49.4 | 0 | 0 | 0 | 111.6 | V296 D300 C301 F350 | V296-N298 PolarHBondContact O-N 2.81Å; V296-N298 VanDerWaalsContact O-N 3.08Å; N298-D300 PolarHBondContact O-N 2.99Å; N298-D300 VanDerWaalsContact O-N 3.08Å; N298-C301 PolarHBondContact O-N 2.95Å; N298-F350 PolarHBondContact ND2-O 3.19Å; N298-F350 PolarHBondContact OD1-N 3.31Å | ||
| 299 | V | 75.9 | Confident | 89.3 | Confident | 98 Ų | 98 | 51.7 Ų | 51.7 | 59% | 0.594 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -52.7 | -32.2 | -173 | -172.7 | 0 | 0 | 0 | 0 | 113.5 | V296 C301 L302 | V296-V299 WeakPolarHBondContact O-CG2 3.35Å; V299-C301 PolarHBondContact O-N 2.89Å; V299-L302 VanDerWaalsContact O-CB 3.22Å; V299-L302 WeakPolarHBondContact O-CB 3.39Å; V299-L302 PolarHBondContact O-N 2.85Å |
| 300 | D | 82.2 | Confident | 89.3 | Confident | 152 Ų | 152 | 49.9 Ų | 49.9 | 81% | 0.813 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -58.6 | -24.2 | 179.7 | -61.8 | -25 | 0 | 0 | 0 | 113.7 | N298 | N298-D300 PolarHBondContact O-N 2.99Å; N298-D300 VanDerWaalsContact O-N 3.08Å |
| 301 | C | 81.7 | Confident | 89.5 | Confident | 26 Ų | 26 | 49 Ų | 49 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -91.2 | -18.6 | 179.4 | -62.5 | 0 | 0 | 0 | 0 | 112.6 | N298 V299 K303 K304 I305 W338 | N298-C301 PolarHBondContact O-N 2.95Å; V299-C301 PolarHBondContact O-N 2.89Å; C301-K303 PolarHBondContact O-N 3.25Å; C301-K304 WeakPolarHBondContact O-CB 3.41Å; C301-K304 PolarHBondContact O-N 3.09Å; C301-I305 HydrophobicContact CB-CD1 3.92Å; C301-I305 WeakPolarHBondContact O-CD1 3.22Å; C301-I305 WeakPolarHBondContact O-CG1 3.14Å; C301-I305 PolarHBondContact O-N 3Å; C301-I305 VanDerWaalsContact O-N 3.16Å; C301-W338 HydrophobicContact CB-CE3 4.46Å; C301-W338 HydrophobicContact CB-CH2 3.95Å; C301-W338 HydrophobicContact CB-CZ3 3.59Å |
| 302 | L | 88.5 | Confident | 89.7 | Confident | 25 Ų | 25 | 48.6 Ų | 48.6 | 13% | 0.131 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.3 | -56 | -168.5 | -178.4 | 60.4 | 0 | 0 | 0 | 111.7 | E279 V281 V296 V299 K304 I305 T306 | E279-L302 WeakPolarHBondContact O-CD2 3.2Å; E279-L302 VanDerWaalsContact O-CG 3.3Å; E279-L302 WeakPolarHBondContact O-CG 3.21Å; V281-L302 HydrophobicContact CG2-CD1 3.94Å; V296-L302 HydrophobicContact CB-CD1 4.34Å; V296-L302 HydrophobicContact CG1-CD1 4.33Å; V296-L302 HydrophobicContact CG2-CD1 3.9Å; V299-L302 VanDerWaalsContact O-CB 3.22Å; V299-L302 WeakPolarHBondContact O-CB 3.39Å; V299-L302 PolarHBondContact O-N 2.85Å; L302-K304 PolarHBondContact O-N 3.38Å; L302-I305 PolarHBondContact O-N 3.47Å; L302-T306 HydrophobicContact CD1-CG2 3.59Å; L302-T306 HydrophobicContact CG-CG2 4.28Å; L302-T306 PolarHBondContact O-N 3.29Å; L302-T306 PolarHBondContact O-OG1 3.23Å |
| 303 | K | 88 | Confident | 90 | Very high | 128 Ų | 128 | 46.9 Ų | 46.9 | 56% | 0.557 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -59.6 | -34 | 179.7 | -70.3 | -167.6 | 177.8 | -151.7 | 0 | 112.8 | E279 C301 I305 N307 | E279-K303 WeakPolarHBondContact OE1-CE 3.32Å; E279-K303 IonicContact OE1-NZ 3.39Å; E279-K303 PolarHBondContact OE1-NZ 3.28Å; C301-K303 PolarHBondContact O-N 3.25Å; K303-I305 PolarHBondContact O-N 3.34Å; K303-N307 WeakPolarHBondContact O-CB 3.34Å; K303-N307 PolarHBondContact O-N 3.32Å; K303-N307 VanDerWaalsContact O-N 3.08Å |
| 304 | K | 89.1 | Confident | 90.2 | Very high | 117 Ų | 117 | 41.6 Ų | 41.6 | 51% | 0.509 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.4 | -35.7 | 177.4 | -65.1 | 178.1 | -179 | 171.3 | 0 | 110.5 | C301 L302 R308 K328 W338 | C301-K304 WeakPolarHBondContact O-CB 3.41Å; C301-K304 PolarHBondContact O-N 3.09Å; L302-K304 PolarHBondContact O-N 3.38Å; K304-R308 PolarHBondContact O-NE 3.03Å; K304-R308 PolarHBondContact O-NH2 2.94Å; K304-K328 VanDerWaalsContact O-CE 3.29Å; K304-K328 WeakPolarHBondContact O-CE 3.41Å; K304-K328 PolarHBondContact O-NZ 3.36Å; K304-W338 HydrophobicContact CB-CH2 4.21Å; K304-W338 HydrophobicContact CB-CZ2 3.74Å; K304-W338 HydrophobicContact CD-CH2 4Å; K304-W338 HydrophobicContact CD-CZ2 4.01Å |
| 305 | I | 91.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -86.2 | -41.8 | -176.1 | -60 | 155.4 | 0 | 0 | 0 | 111.5 | I264 C301 L302 K303 R308 V323 W338 F350 | I264-I305 HydrophobicContact CG2-CG2 4.05Å; C301-I305 HydrophobicContact CB-CD1 3.92Å; C301-I305 WeakPolarHBondContact O-CD1 3.22Å; C301-I305 WeakPolarHBondContact O-CG1 3.14Å; C301-I305 PolarHBondContact O-N 3Å; C301-I305 VanDerWaalsContact O-N 3.16Å; L302-I305 PolarHBondContact O-N 3.47Å; K303-I305 PolarHBondContact O-N 3.34Å; I305-R308 WeakPolarHBondContact O-CD 3.27Å; I305-R308 WeakPolarHBondContact O-CG 3.28Å; I305-R308 PolarHBondContact O-NE 2.94Å; I305-V323 HydrophobicContact CG2-CG1 4.49Å; I305-V323 HydrophobicContact CG2-CG2 4.37Å; I305-W338 HydrophobicContact CD1-CD2 3.96Å; I305-W338 HydrophobicContact CD1-CE3 3.69Å; I305-W338 HydrophobicContact CD1-CG 4.41Å; I305-W338 HydrophobicContact CD1-CZ3 4.12Å; I305-W338 HydrophobicContact CG1-CB 4.38Å; I305-W338 HydrophobicContact CG1-CD2 3.51Å; I305-W338 HydrophobicContact CG1-CE3 3.79Å; I305-W338 HydrophobicContact CG1-CG 3.79Å; I305-W338 HydrophobicContact CG1-CZ2 4.34Å; I305-W338 HydrophobicContact CG1-CZ3 4.31Å; I305-F350 HydrophobicContact CD1-CB 3.43Å; I305-F350 VanDerWaalsContact CD1-CB 3.43Å; I305-F350 HydrophobicContact CD1-CD1 3.63Å; I305-F350 HydrophobicContact CD1-CD2 3.83Å; I305-F350 HydrophobicContact CD1-CE1 4.29Å; I305-F350 HydrophobicContact CD1-CE2 4.48Å; I305-F350 HydrophobicContact CD1-CG 3.35Å; I305-F350 HydrophobicContact CG2-CD1 4.38Å; I305-F350 HydrophobicContact CG2-CE1 4.07Å; I305-F350 HydrophobicContact CG2-CZ 4.43Å |
| 306 | T | 91.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -86.8 | -33.2 | -172.5 | 53.8 | 0 | 0 | 0 | 0 | 113.7 | I264 G265 C278 E279 V281 L302 R308 | I264-T306 HydrophobicContact CG2-CG2 4.35Å; G265-T306 WeakPolarHBondContact CA-O 3.3Å; C278-T306 CarbonylContact O-C 3.6Å; C278-T306 VanDerWaalsContact O-CB 3.28Å; C278-T306 WeakPolarHBondContact O-CB 3.35Å; C278-T306 PolarHBondContact O-OG1 2.88Å; E279-T306 WeakPolarHBondContact CA-OG1 3.3Å; E279-T306 PolarHBondContact O-OG1 3.43Å; E279-T306 VanDerWaalsContact O-OG1 3.13Å; V281-T306 HydrophobicContact CG2-CG2 3.69Å; L302-T306 HydrophobicContact CD1-CG2 3.59Å; L302-T306 HydrophobicContact CG-CG2 4.28Å; L302-T306 PolarHBondContact O-N 3.29Å; L302-T306 PolarHBondContact O-OG1 3.23Å; T306-R308 PolarHBondContact O-N 3.42Å |
| 307 | N | 90.7 | Very high | 90.4 | Very high | 34 Ų | 34 | 44.3 Ų | 44.3 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -73.4 | 72.5 | 176.3 | -173.3 | -33.1 | 0 | 0 | 0 | 110 | T277 K303 K328 D329 | T277-N307 VanDerWaalsContact CG2-OD1 3.25Å; T277-N307 WeakPolarHBondContact CG2-OD1 3.43Å; T277-N307 PolarHBondContact OG1-ND2 3.2Å; T277-N307 VanDerWaalsContact OG1-ND2 3.14Å; T277-N307 PolarHBondContact OG1-OD1 2.96Å; T277-N307 VanDerWaalsContact OG1-OD1 3.05Å; K303-N307 WeakPolarHBondContact O-CB 3.34Å; K303-N307 PolarHBondContact O-N 3.32Å; K303-N307 VanDerWaalsContact O-N 3.08Å; N307-K328 WeakPolarHBondContact O-CD 3.18Å; N307-K328 WeakPolarHBondContact O-CE 3.38Å; N307-K328 WeakPolarHBondContact O-CG 3.47Å; N307-D329 PolarHBondContact ND2-OD2 2.81Å; N307-D329 PolarHBondContact OD1-OD2 3.25Å |
| 308 | R | 91.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -165.9 | 155.6 | 174.4 | 60 | -178.1 | 75.5 | -150.6 | 3.3 | 112.3 | G266 K304 I305 T306 H311 G325 W327 K328 D336 | G266-R308 PolarHBondContact N-O 3.41Å; K304-R308 PolarHBondContact O-NE 3.03Å; K304-R308 PolarHBondContact O-NH2 2.94Å; I305-R308 WeakPolarHBondContact O-CD 3.27Å; I305-R308 WeakPolarHBondContact O-CG 3.28Å; I305-R308 PolarHBondContact O-NE 2.94Å; T306-R308 PolarHBondContact O-N 3.42Å; R308-H311 HydrophobicContact CG-CB 4.42Å; R308-G325 WeakPolarHBondContact CD-O 3.1Å; R308-G325 PolarHBondContact NH1-O 2.8Å; R308-W327 CarbonylContact C-O 3.45Å; R308-W327 WeakPolarHBondContact CA-O 3.41Å; R308-K328 HydrophobicContact CB-CG 4.24Å; R308-D336 IonicContact CZ-OD1 3.16Å; R308-D336 IonicContact CZ-OD2 2.74Å; R308-D336 IonicContact NH1-OD1 3.86Å; R308-D336 PolarHBondContact NH1-OD1 3.06Å; R308-D336 IonicContact NH1-OD2 3.94Å; R308-D336 VanDerWaalsContact NH2-CG 3.32Å; R308-D336 IonicContact NH2-OD1 3.66Å; R308-D336 PolarHBondContact NH2-OD1 3Å; R308-D336 VanDerWaalsContact NH2-OD1 3.1Å; R308-D336 IonicContact NH2-OD2 2.57Å; R308-D336 PolarHBondContact NH2-OD2 3.29Å | ||
| 309 | V | 90.4 | Very high | 90.8 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.036 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -123.3 | 159.5 | 171.4 | -61.8 | 0 | 0 | 0 | 0 | 111.5 | N251 L267 H311 G326 W327 | N251-V309 HydrophobicContact CB-CB 4.32Å; N251-V309 HydrophobicContact CB-CG1 4.37Å; L267-V309 HydrophobicContact CD1-CG1 4.26Å; L267-V309 HydrophobicContact CD2-CG1 3.93Å; L267-V309 HydrophobicContact CG-CG1 3.64Å; V309-H311 PolarHBondContact O-N 3.28Å; V309-H311 VanDerWaalsContact O-N 3.08Å; V309-G326 CarbonylContact O-C 3.48Å; V309-G326 WeakPolarHBondContact O-CA 3.32Å; V309-W327 HydrophobicContact CG2-CB 3.94Å; V309-W327 HydrophobicContact CG2-CE3 3.81Å; V309-W327 PolarHBondContact N-O 2.82Å; V309-W327 PolarHBondContact O-N 2.87Å |
| 310 | H | 92.3 | Very high | 91.7 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 50.5 | 33.6 | 176.1 | -49 | -69.9 | 0 | 0 | 0 | 115.5 | N186 N251 W368 R369 | N186-H310 PolarHBondContact ND2-CD2 3.07Å; N186-H310 PolarHBondContact ND2-NE2 2.97Å; N251-H310 PolarHBondContact OD1-CE1 2.95Å; N251-H310 VanDerWaalsContact OD1-CE1 3.26Å; H310-W368 HydrophobicContact CB-CB 4.26Å; H310-R369 HydrophobicContact CB-CB 4.48Å; H310-R369 HydrophobicContact CB-CG 3.64Å; H310-R369 PolarHBondContact CE1-NH2 3.34Å; H310-R369 PolarHBondContact NE2-NH2 2.75Å; H310-R369 PolarHBondContact O-N 3.34Å |
| 311 | H | 95.9 | Very high | 92.5 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | trans | -75.9 | 177.8 | 164.6 | 54.4 | -79.4 | 0 | 0 | 0 | 109.8 | R253 I264 R308 V309 V313 F324 G325 | R253-H311 VanDerWaalsContact CG-O 3.26Å; R253-H311 WeakPolarHBondContact CG-O 3.13Å; R253-H311 PolarHBondContact NE-O 3.2Å; I264-H311 PolarHBondContact O-CE1 3.15Å; I264-H311 PolarHBondContact O-NE2 2.91Å; R308-H311 HydrophobicContact CG-CB 4.42Å; V309-H311 PolarHBondContact O-N 3.28Å; V309-H311 VanDerWaalsContact O-N 3.08Å; H311-V313 VanDerWaalsContact CD2-CG2 3.48Å; H311-V313 WeakPolarHBondContact CD2-CG2 3.45Å; H311-F324 WeakPolarHBondContact CB-O 3.2Å; H311-G325 WeakPolarHBondContact CB-O 3.35Å | ||
| 312 | S | 97.3 | Very high | 93.2 | Very high | 9 Ų | 9 | 31 Ų | 31 | 6% | 0.063 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 148.2 | 162.6 | 57 | 0 | 0 | 0 | 0 | 110.2 | V323 F324 H370 | S312-V323 WeakPolarHBondContact O-CA 3.4Å; S312-F324 PolarHBondContact N-O 2.83Å; S312-F324 PolarHBondContact O-N 2.88Å; S312-F324 VanDerWaalsContact O-N 3.11Å; S312-H370 VanDerWaalsContact CB-NE2 3.3Å; S312-H370 WeakPolarHBondContact CB-NE2 3.48Å; S312-H370 PolarHBondContact OG-NE2 2.66Å |
| 313 | V | 97.5 | Very high | 93.6 | Very high | 18 Ų | 18 | 29.9 Ų | 29.9 | 11% | 0.109 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 117.3 | 167 | -172.2 | 0 | 0 | 0 | 0 | 106 | R253 V255 H311 F321 V322 V323 | R253-V313 HydrophobicContact CB-CB 4.29Å; R253-V313 HydrophobicContact CB-CG2 3.55Å; V255-V313 HydrophobicContact CB-CG1 3.76Å; V255-V313 HydrophobicContact CG1-CG1 3.58Å; H311-V313 VanDerWaalsContact CD2-CG2 3.48Å; H311-V313 WeakPolarHBondContact CD2-CG2 3.45Å; V313-F321 HydrophobicContact CG1-CB 4.4Å; V313-F321 HydrophobicContact CG1-CD2 3.59Å; V313-F321 HydrophobicContact CG1-CE2 4.18Å; V313-F321 HydrophobicContact CG1-CG 4.25Å; V313-V322 CarbonylContact C-O 3.5Å; V313-V322 VanDerWaalsContact CA-O 3.32Å; V313-V322 WeakPolarHBondContact CA-O 3.35Å; V313-V323 HydrophobicContact CG1-CG2 4.45Å; V313-V323 HydrophobicContact CG2-CG2 4.29Å |
| 314 | T | 97.3 | Very high | 94 | Very high | 13 Ų | 13 | 23.8 Ų | 23.8 | 8% | 0.08 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 123.4 | -171.6 | -54.8 | 0 | 0 | 0 | 0 | 109.2 | F321 V322 L374 V385 | T314-F321 CarbonylContact O-C 3.58Å; T314-F321 WeakPolarHBondContact O-CA 3.19Å; T314-F321 WeakPolarHBondContact O-CB 2.98Å; T314-V322 PolarHBondContact N-O 3.43Å; T314-V322 PolarHBondContact O-N 3.18Å; T314-L374 HydrophobicContact CG2-CB 4.1Å; T314-V385 HydrophobicContact CG2-CG1 4.18Å; T314-V385 HydrophobicContact CG2-CG2 4.27Å |
| 315 | R | 96 | Very high | 94.3 | Very high | 114 Ų | 114 | 18.2 Ų | 18.2 | 43% | 0.43 | 11% | 0.107 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 136.1 | 171.4 | -169.5 | 178.4 | -175.3 | -170 | 0.2 | 109 | V255 A256 L257 G318 L374 | V255-R315 HydrophobicContact CG2-CB 3.57Å; V255-R315 HydrophobicContact CG2-CG 4.36Å; A256-R315 WeakPolarHBondContact O-CD 3.45Å; L257-R315 HydrophobicContact CD2-CG 3.88Å; R315-G318 PolarHBondContact NE-O 3.04Å; R315-G318 VanDerWaalsContact NE-O 3.12Å; R315-G318 PolarHBondContact NH2-O 3.32Å; R315-L374 WeakPolarHBondContact O-CB 3.47Å; R315-L374 WeakPolarHBondContact O-CD1 3.31Å; R315-L374 WeakPolarHBondContact O-CD2 3.37Å |
| 316 | V | 94.8 | Very high | 94.4 | Very high | 6 Ų | 6 | 18.2 Ų | 18.2 | 4% | 0.036 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | -29.3 | -179.7 | -62.8 | 0 | 0 | 0 | 0 | 114.1 | S320 V322 L374 S383 V385 W416 | V316-S320 PolarHBondContact N-O 2.89Å; V316-V322 HydrophobicContact CG1-CB 4.14Å; V316-V322 HydrophobicContact CG1-CG2 3.62Å; V316-V322 HydrophobicContact CG2-CG2 4.27Å; V316-L374 HydrophobicContact CB-CD1 4.18Å; V316-L374 HydrophobicContact CG1-CD1 4.01Å; V316-S383 PolarHBondContact O-OG 3.22Å; V316-V385 HydrophobicContact CG1-CG2 3.58Å; V316-W416 HydrophobicContact CB-CD2 3.82Å; V316-W416 HydrophobicContact CB-CG 3.89Å; V316-W416 HydrophobicContact CB-CZ2 4.31Å; V316-W416 HydrophobicContact CG1-CB 4.35Å; V316-W416 HydrophobicContact CG1-CD2 4.35Å; V316-W416 HydrophobicContact CG1-CG 3.95Å; V316-W416 HydrophobicContact CG2-CD2 3.64Å; V316-W416 HydrophobicContact CG2-CE3 3.83Å; V316-W416 HydrophobicContact CG2-CG 4.14Å; V316-W416 HydrophobicContact CG2-CH2 4.24Å; V316-W416 HydrophobicContact CG2-CZ2 4.07Å; V316-W416 HydrophobicContact CG2-CZ3 4.12Å |
| 317 | A | 91 | Very high | 94.2 | Very high | 41 Ų | 41 | 19.4 Ų | 19.4 | 34% | 0.339 | 11% | 0.112 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 177.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | D319 S320 W416 | A317-D319 PolarHBondContact O-N 3.13Å; A317-D319 VanDerWaalsContact O-N 3.11Å; A317-S320 PolarHBondContact N-O 2.76Å; A317-S320 PolarHBondContact O-N 3.36Å; A317-S320 VanDerWaalsContact O-O 3.08Å; A317-W416 HydrophobicContact CB-CH2 4.34Å; A317-W416 HydrophobicContact CB-CZ2 4.15Å |
| 318 | G | 89.7 | Confident | 93.8 | Very high | 41 Ų | 41 | 19.9 Ų | 19.9 | 42% | 0.423 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -29.6 | -67.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | R315 | R315-G318 PolarHBondContact NE-O 3.04Å; R315-G318 VanDerWaalsContact NE-O 3.12Å; R315-G318 PolarHBondContact NH2-O 3.32Å |
| 319 | D | 94.6 | Very high | 92.7 | Very high | 82 Ų | 82 | 23.2 Ų | 23.2 | 44% | 0.439 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 17.3 | -178.6 | -60 | -41.8 | 0 | 0 | 0 | 113.6 | A317 Q341 L342 | A317-D319 PolarHBondContact O-N 3.13Å; A317-D319 VanDerWaalsContact O-N 3.11Å; D319-Q341 WeakPolarHBondContact O-CA 3.42Å; D319-L342 HydrophobicContact CB-CB 4.19Å; D319-L342 WeakPolarHBondContact CB-O 3.49Å; D319-L342 PolarHBondContact O-N 3.4Å |
| 320 | S | 95.7 | Very high | 91.4 | Very high | 11 Ų | 11 | 30.3 Ų | 30.3 | 8% | 0.077 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 145.1 | -177 | -72.1 | 0 | 0 | 0 | 0 | 112 | V316 A317 H339 G340 | V316-S320 PolarHBondContact N-O 2.89Å; A317-S320 PolarHBondContact N-O 2.76Å; A317-S320 PolarHBondContact O-N 3.36Å; A317-S320 VanDerWaalsContact O-O 3.08Å; S320-H339 WeakPolarHBondContact CB-NE2 3.32Å; S320-H339 PolarHBondContact OG-NE2 3.24Å; S320-H339 VanDerWaalsContact OG-NE2 3.09Å; S320-G340 CarbonylContact C-O 3.55Å; S320-G340 WeakPolarHBondContact CA-O 3.07Å |
| 321 | F | 97.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 162.5 | 177.8 | 61 | -86.8 | 0 | 0 | 0 | 111.6 | V255 L257 V262 I264 V313 T314 V323 G340 L348 F350 | V255-F321 HydrophobicContact CG1-CB 4Å; V255-F321 HydrophobicContact CG1-CD1 4.11Å; V255-F321 HydrophobicContact CG1-CD2 4.29Å; V255-F321 HydrophobicContact CG1-CG 3.88Å; V255-F321 HydrophobicContact CG2-CB 4.32Å; L257-F321 HydrophobicContact CD1-CD1 3.8Å; L257-F321 HydrophobicContact CD1-CE1 4.08Å; V262-F321 HydrophobicContact CG1-CE1 4.4Å; V262-F321 HydrophobicContact CG1-CZ 4.08Å; V262-F321 HydrophobicContact CG2-CE1 4.37Å; I264-F321 HydrophobicContact CD1-CD2 4.43Å; I264-F321 HydrophobicContact CD1-CE2 3.42Å; I264-F321 VanDerWaalsContact CD1-CE2 3.42Å; I264-F321 HydrophobicContact CD1-CZ 3.83Å; V313-F321 HydrophobicContact CG1-CB 4.4Å; V313-F321 HydrophobicContact CG1-CD2 3.59Å; V313-F321 HydrophobicContact CG1-CE2 4.18Å; V313-F321 HydrophobicContact CG1-CG 4.25Å; T314-F321 CarbonylContact O-C 3.58Å; T314-F321 WeakPolarHBondContact O-CA 3.19Å; T314-F321 WeakPolarHBondContact O-CB 2.98Å; F321-V323 HydrophobicContact CD2-CG2 4.09Å; F321-V323 HydrophobicContact CE2-CG2 3.93Å; F321-G340 WeakPolarHBondContact CD1-O 3.21Å; F321-G340 PolarHBondContact N-O 2.86Å; F321-G340 PolarHBondContact O-N 2.81Å; F321-L348 HydrophobicContact CE1-CD2 3.96Å; F321-L348 HydrophobicContact CZ-CD2 4.23Å; F321-F350 AromaticContact CE2-CE1 3.73Å; F321-F350 HydrophobicContact CE2-CE1 3.73Å; F321-F350 HydrophobicContact CE2-CZ 4.35Å; F321-F350 AromaticContact CZ-CE1 3.71Å; F321-F350 HydrophobicContact CZ-CE1 3.71Å; F321-F350 HydrophobicContact CZ-CZ 4.01Å |
| 322 | V | 97 | Very high | 89.4 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133.2 | 177.6 | 169.5 | 0 | 0 | 0 | 0 | 110 | V313 T314 V316 C337 W338 M353 V385 L414 W416 | V313-V322 CarbonylContact C-O 3.5Å; V313-V322 VanDerWaalsContact CA-O 3.32Å; V313-V322 WeakPolarHBondContact CA-O 3.35Å; T314-V322 PolarHBondContact N-O 3.43Å; T314-V322 PolarHBondContact O-N 3.18Å; V316-V322 HydrophobicContact CG1-CB 4.14Å; V316-V322 HydrophobicContact CG1-CG2 3.62Å; V316-V322 HydrophobicContact CG2-CG2 4.27Å; V322-C337 WeakPolarHBondContact CG1-SG 3.27Å; V322-W338 CarbonylContact C-O 3.52Å; V322-W338 VanDerWaalsContact CA-O 3.32Å; V322-W338 WeakPolarHBondContact CA-O 3.15Å; V322-M353 HydrophobicContact CG1-SD 4.4Å; V322-M353 HydrophobicContact CG2-SD 4.1Å; V322-V385 HydrophobicContact CB-CG2 4.25Å; V322-V385 HydrophobicContact CG2-CG2 4.36Å; V322-L414 HydrophobicContact CG1-CD2 4.18Å; V322-W416 HydrophobicContact CG2-CB 3.93Å |
| 323 | V | 97 | Very high | 88.9 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 125.8 | 169.9 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | I264 I305 S312 V313 F321 C337 W338 | I264-V323 HydrophobicContact CD1-CG2 4.15Å; I305-V323 HydrophobicContact CG2-CG1 4.49Å; I305-V323 HydrophobicContact CG2-CG2 4.37Å; S312-V323 WeakPolarHBondContact O-CA 3.4Å; V313-V323 HydrophobicContact CG1-CG2 4.45Å; V313-V323 HydrophobicContact CG2-CG2 4.29Å; F321-V323 HydrophobicContact CD2-CG2 4.09Å; F321-V323 HydrophobicContact CE2-CG2 3.93Å; V323-C337 WeakPolarHBondContact O-CA 3.34Å; V323-W338 HydrophobicContact CB-CB 4.26Å; V323-W338 PolarHBondContact N-O 3.15Å; V323-W338 PolarHBondContact O-N 3.43Å |
| 324 | F | 96.4 | Very high | 88.7 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 138.7 | 178.6 | 178.1 | -98 | 0 | 0 | 0 | 113 | H311 S312 N335 C337 P364 R367 H370 I387 W421 | H311-F324 WeakPolarHBondContact CB-O 3.2Å; S312-F324 PolarHBondContact N-O 2.83Å; S312-F324 PolarHBondContact O-N 2.88Å; S312-F324 VanDerWaalsContact O-N 3.11Å; F324-N335 WeakPolarHBondContact CE2-O 3.23Å; F324-C337 HydrophobicContact CD2-CB 4.16Å; F324-P364 HydrophobicContact CZ-CB 4.04Å; F324-P364 HydrophobicContact CZ-CG 3.97Å; F324-R367 HydrophobicContact CE1-CG 3.92Å; F324-H370 AromaticContact CD1-CE1 3.79Å; F324-H370 AromaticContact CD1-NE2 3.66Å; F324-H370 PolarHBondContact O-CE1 2.96Å; F324-I387 HydrophobicContact CB-CD1 4.04Å; F324-I387 HydrophobicContact CD1-CD1 3.29Å; F324-I387 HydrophobicContact CD1-CG2 4.28Å; F324-I387 HydrophobicContact CD2-CD1 4.3Å; F324-I387 HydrophobicContact CE1-CD1 3.73Å; F324-I387 HydrophobicContact CE1-CG2 4.06Å; F324-I387 HydrophobicContact CG-CD1 3.6Å; F324-I387 HydrophobicContact CZ-CD1 4.4Å; F324-W421 AromaticContact CD2-CH2 3.65Å; F324-W421 HydrophobicContact CD2-CH2 3.65Å; F324-W421 AromaticContact CD2-CZ2 3.75Å; F324-W421 HydrophobicContact CD2-CZ2 3.75Å; F324-W421 HydrophobicContact CE1-CH2 4.45Å; F324-W421 AromaticContact CE2-CH2 3.49Å; F324-W421 HydrophobicContact CE2-CH2 3.49Å; F324-W421 VanDerWaalsContact CE2-CH2 3.49Å; F324-W421 AromaticContact CE2-CZ2 3.53Å; F324-W421 HydrophobicContact CE2-CZ2 3.53Å; F324-W421 HydrophobicContact CG-CH2 4.2Å; F324-W421 AromaticContact CZ-CH2 3.93Å; F324-W421 HydrophobicContact CZ-CH2 3.93Å; F324-W421 HydrophobicContact CZ-CZ2 4.32Å |
| 325 | G | 95.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | 65 | -146.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R308 H311 Q334 D336 | R308-G325 WeakPolarHBondContact CD-O 3.1Å; R308-G325 PolarHBondContact NH1-O 2.8Å; H311-G325 WeakPolarHBondContact CB-O 3.35Å; G325-Q334 VanDerWaalsContact CA-O 3.31Å; G325-Q334 WeakPolarHBondContact CA-O 3.33Å; G325-D336 PolarHBondContact N-O 2.92Å | ||
| 326 | G | 93.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | 95.1 | -173.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V309 A333 Q334 R367 | V309-G326 CarbonylContact O-C 3.48Å; V309-G326 WeakPolarHBondContact O-CA 3.32Å; G326-A333 CarbonylContact O-C 3.54Å; G326-Q334 PolarHBondContact O-N 3.09Å; G326-R367 PolarHBondContact N-O 3.28Å | ||
| 327 | W | 86.8 | Confident | 88.1 | Confident | 24 Ų | 24 | 36.4 Ų | 36.4 | 9% | 0.091 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 125.1 | -168.3 | -169.2 | 47.8 | 0 | 0 | 0 | 110.6 | P184 N186 R308 V309 F331 W368 | P184-W327 HydrophobicContact CG-CH2 3.86Å; P184-W327 HydrophobicContact CG-CZ2 3.54Å; N186-W327 HydrophobicContact CB-CE3 3.92Å; N186-W327 HydrophobicContact CB-CH2 3.69Å; N186-W327 HydrophobicContact CB-CZ3 3.31Å; N186-W327 WeakPolarHBondContact ND2-CZ3 3.45Å; R308-W327 CarbonylContact C-O 3.45Å; R308-W327 WeakPolarHBondContact CA-O 3.41Å; V309-W327 HydrophobicContact CG2-CB 3.94Å; V309-W327 HydrophobicContact CG2-CE3 3.81Å; V309-W327 PolarHBondContact N-O 2.82Å; V309-W327 PolarHBondContact O-N 2.87Å; W327-F331 HydrophobicContact CH2-CD1 4.25Å; W327-F331 HydrophobicContact CZ2-CB 4.07Å; W327-F331 AromaticContact CZ2-CD1 3.63Å; W327-F331 HydrophobicContact CZ2-CD1 3.63Å; W327-F331 HydrophobicContact CZ2-CG 4.27Å; W327-F331 PolarHBondContact NE1-O 3.02Å; W327-W368 HydrophobicContact CB-CB 3.98Å; W327-W368 HydrophobicContact CB-CD2 4.39Å; W327-W368 HydrophobicContact CB-CG 4.02Å; W327-W368 HydrophobicContact CG-CD2 4.43Å; W327-W368 HydrophobicContact CG-CG 4.48Å |
| 328 | K | 82.8 | Confident | 88.3 | Confident | 45 Ų | 45 | 35.1 Ų | 35.1 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 171.1 | -179.6 | -56.3 | -161.2 | 165.3 | 145.2 | 0 | 112.2 | K304 N307 R308 F331 T332 Q334 D336 | K304-K328 VanDerWaalsContact O-CE 3.29Å; K304-K328 WeakPolarHBondContact O-CE 3.41Å; K304-K328 PolarHBondContact O-NZ 3.36Å; N307-K328 WeakPolarHBondContact O-CD 3.18Å; N307-K328 WeakPolarHBondContact O-CE 3.38Å; N307-K328 WeakPolarHBondContact O-CG 3.47Å; R308-K328 HydrophobicContact CB-CG 4.24Å; K328-F331 PolarHBondContact O-N 2.51Å; K328-T332 PolarHBondContact N-O 3.43Å; K328-Q334 HydrophobicContact CD-CG 4.03Å; K328-Q334 VanDerWaalsContact CE-OE1 3.29Å; K328-Q334 HydrophobicContact CG-CG 3.63Å; K328-D336 IonicContact NZ-OD2 2.8Å |
| 329 | D | 68.1 | Low | 88.6 | Confident | 69 Ų | 69 | 35.1 Ų | 35.1 | 37% | 0.369 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -46.9 | 143.7 | 163.8 | -65.9 | -30.3 | 0 | 0 | 0 | 111 | N307 F331 | N307-D329 PolarHBondContact ND2-OD2 2.81Å; N307-D329 PolarHBondContact OD1-OD2 3.25Å; D329-F331 VanDerWaalsContact C-N 3.27Å; D329-F331 PolarHBondContact O-N 3.47Å |
| 330 | H | 61.8 | Low | 88.6 | Confident | 155 Ų | 155 | 31.2 Ų | 31.2 | 72% | 0.718 | 16% | 0.156 | S | C | * | . | G | 310 helix | trans | 63.7 | 25.9 | -173.4 | -45 | -41.7 | 0 | 0 | 0 | 115.8 | T332 | H330-T332 VanDerWaalsContact C-N 3.3Å; H330-T332 PolarHBondContact O-N 3.3Å; H330-T332 PolarHBondContact O-OG1 2.83Å |
| 331 | F | 66 | Low | 88.6 | Confident | 84 Ų | 84 | 34.1 Ų | 34.1 | 37% | 0.368 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | 73.8 | 24.7 | 156.9 | -33.3 | -41.7 | 0 | 0 | 0 | 114.2 | L183 P184 W327 K328 D329 | L183-F331 HydrophobicContact CD2-CE1 3.91Å; P184-F331 HydrophobicContact CG-CB 3.92Å; P184-F331 HydrophobicContact CG-CD1 3.2Å; P184-F331 HydrophobicContact CG-CD2 3.91Å; P184-F331 HydrophobicContact CG-CE1 3.68Å; P184-F331 HydrophobicContact CG-CE2 4.24Å; P184-F331 HydrophobicContact CG-CG 3.36Å; P184-F331 HydrophobicContact CG-CZ 4.15Å; W327-F331 HydrophobicContact CH2-CD1 4.25Å; W327-F331 HydrophobicContact CZ2-CB 4.07Å; W327-F331 AromaticContact CZ2-CD1 3.63Å; W327-F331 HydrophobicContact CZ2-CD1 3.63Å; W327-F331 HydrophobicContact CZ2-CG 4.27Å; W327-F331 PolarHBondContact NE1-O 3.02Å; K328-F331 PolarHBondContact O-N 2.51Å; D329-F331 VanDerWaalsContact C-N 3.27Å; D329-F331 PolarHBondContact O-N 3.47Å |
| 332 | T | 80 | Confident | 88.5 | Confident | 74 Ų | 74 | 34.7 Ų | 34.7 | 45% | 0.454 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 108.1 | -175.4 | -54 | 0 | 0 | 0 | 0 | 109 | K328 H330 Q334 | K328-T332 PolarHBondContact N-O 3.43Å; H330-T332 VanDerWaalsContact C-N 3.3Å; H330-T332 PolarHBondContact O-N 3.3Å; H330-T332 PolarHBondContact O-OG1 2.83Å; T332-Q334 PolarHBondContact O-NE2 2.95Å |
| 333 | A | 88.7 | Confident | 88.4 | Confident | 13 Ų | 13 | 37.8 Ų | 37.8 | 11% | 0.107 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 145.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | G326 A366 W368 | G326-A333 CarbonylContact O-C 3.54Å; A333-A366 HydrophobicContact CB-CB 3.83Å; A333-A366 WeakPolarHBondContact O-CB 3.36Å; A333-W368 HydrophobicContact CB-CE3 3.53Å; A333-W368 HydrophobicContact CB-CZ3 3.6Å |
| 334 | Q | 91.8 | Very high | 88.1 | Confident | 26 Ų | 26 | 40.9 Ų | 40.9 | 12% | 0.121 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -110.4 | 151.2 | -179.8 | -54.5 | -62.8 | -73.3 | 0 | 0 | 111.2 | G325 G326 K328 T332 D336 A366 R367 | G325-Q334 VanDerWaalsContact CA-O 3.31Å; G325-Q334 WeakPolarHBondContact CA-O 3.33Å; G326-Q334 PolarHBondContact O-N 3.09Å; K328-Q334 HydrophobicContact CD-CG 4.03Å; K328-Q334 VanDerWaalsContact CE-OE1 3.29Å; K328-Q334 HydrophobicContact CG-CG 3.63Å; T332-Q334 PolarHBondContact O-NE2 2.95Å; Q334-D336 WeakPolarHBondContact CB-OD1 3.29Å; Q334-A366 CarbonylContact O-C 3.55Å; Q334-A366 VanDerWaalsContact O-CA 3.24Å; Q334-A366 WeakPolarHBondContact O-CA 3.43Å; Q334-R367 PolarHBondContact O-N 3.47Å |
| 335 | N | 91.4 | Very high | 87.6 | Confident | 61 Ų | 61 | 46 Ų | 46 | 33% | 0.326 | 23% | 0.233 | S | C | . | . | trans | -128.3 | 9.5 | 170.1 | 62.6 | -21.3 | 0 | 0 | 0 | 111.9 | F324 H363 A366 | F324-N335 WeakPolarHBondContact CE2-O 3.23Å; N335-H363 PolarHBondContact ND2-CE1 3.27Å; N335-A366 HydrophobicContact CB-CB 3.99Å | ||
| 336 | D | 92 | Very high | 87.2 | Confident | 33 Ų | 33 | 49.6 Ų | 49.6 | 18% | 0.176 | 25% | 0.253 | C | S | . | . | trans | -74.3 | 152.2 | 177 | 63.6 | -21.7 | 0 | 0 | 0 | 110.7 | R308 G325 K328 Q334 W338 | R308-D336 IonicContact CZ-OD1 3.16Å; R308-D336 IonicContact CZ-OD2 2.74Å; R308-D336 IonicContact NH1-OD1 3.86Å; R308-D336 PolarHBondContact NH1-OD1 3.06Å; R308-D336 IonicContact NH1-OD2 3.94Å; R308-D336 VanDerWaalsContact NH2-CG 3.32Å; R308-D336 IonicContact NH2-OD1 3.66Å; R308-D336 PolarHBondContact NH2-OD1 3Å; R308-D336 VanDerWaalsContact NH2-OD1 3.1Å; R308-D336 IonicContact NH2-OD2 2.57Å; R308-D336 PolarHBondContact NH2-OD2 3.29Å; G325-D336 PolarHBondContact N-O 2.92Å; K328-D336 IonicContact NZ-OD2 2.8Å; Q334-D336 WeakPolarHBondContact CB-OD1 3.29Å; D336-W338 PolarHBondContact OD2-NE1 3.47Å | ||
| 337 | C | 93.5 | Very high | 87.1 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 3% | 0.027 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 132 | -176.6 | -162.7 | 0 | 0 | 0 | 0 | 109.5 | V322 V323 F324 M353 L355 L414 | V322-C337 WeakPolarHBondContact CG1-SG 3.27Å; V323-C337 WeakPolarHBondContact O-CA 3.34Å; F324-C337 HydrophobicContact CD2-CB 4.16Å; C337-M353 HydrophobicContact CB-CB 4.26Å; C337-M353 HydrophobicContact CB-SD 4.35Å; C337-M353 PolarHBondContact O-N 3.05Å; C337-M353 PolarHBondContact SG-SD 3.08Å; C337-L355 HydrophobicContact CB-CD2 4.43Å; C337-L414 WeakPolarHBondContact SG-CD2 3.43Å |
| 338 | W | 94.8 | Very high | 87.5 | Confident | 14 Ų | 14 | 51.3 Ų | 51.3 | 5% | 0.053 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 133.5 | -177.8 | -62 | 82.4 | 0 | 0 | 0 | 109.8 | C301 K304 I305 V322 V323 D336 A351 A352 | C301-W338 HydrophobicContact CB-CE3 4.46Å; C301-W338 HydrophobicContact CB-CH2 3.95Å; C301-W338 HydrophobicContact CB-CZ3 3.59Å; K304-W338 HydrophobicContact CB-CH2 4.21Å; K304-W338 HydrophobicContact CB-CZ2 3.74Å; K304-W338 HydrophobicContact CD-CH2 4Å; K304-W338 HydrophobicContact CD-CZ2 4.01Å; I305-W338 HydrophobicContact CD1-CD2 3.96Å; I305-W338 HydrophobicContact CD1-CE3 3.69Å; I305-W338 HydrophobicContact CD1-CG 4.41Å; I305-W338 HydrophobicContact CD1-CZ3 4.12Å; I305-W338 HydrophobicContact CG1-CB 4.38Å; I305-W338 HydrophobicContact CG1-CD2 3.51Å; I305-W338 HydrophobicContact CG1-CE3 3.79Å; I305-W338 HydrophobicContact CG1-CG 3.79Å; I305-W338 HydrophobicContact CG1-CZ2 4.34Å; I305-W338 HydrophobicContact CG1-CZ3 4.31Å; V322-W338 CarbonylContact C-O 3.52Å; V322-W338 VanDerWaalsContact CA-O 3.32Å; V322-W338 WeakPolarHBondContact CA-O 3.15Å; V323-W338 HydrophobicContact CB-CB 4.26Å; V323-W338 PolarHBondContact N-O 3.15Å; V323-W338 PolarHBondContact O-N 3.43Å; D336-W338 PolarHBondContact OD2-NE1 3.47Å; W338-A351 WeakPolarHBondContact CA-O 3.18Å; W338-A352 HydrophobicContact CE3-CB 4.01Å; W338-A352 HydrophobicContact CH2-CB 4.03Å; W338-A352 HydrophobicContact CZ3-CB 3.74Å |
| 339 | H | 95 | Very high | 88.1 | Confident | 40 Ų | 40 | 55.5 Ų | 55.5 | 19% | 0.185 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 128.6 | 166.6 | 170.9 | -123.2 | 0 | 0 | 0 | 108.1 | S320 F350 A351 M353 | S320-H339 WeakPolarHBondContact CB-NE2 3.32Å; S320-H339 PolarHBondContact OG-NE2 3.24Å; S320-H339 VanDerWaalsContact OG-NE2 3.09Å; H339-F350 CarbonylContact O-C 3.56Å; H339-F350 VanDerWaalsContact O-CA 3.23Å; H339-F350 WeakPolarHBondContact O-CA 3.23Å; H339-A351 PolarHBondContact N-O 3.37Å; H339-A351 PolarHBondContact O-N 2.85Å; H339-M353 HydrophobicContact CB-CG 4Å; H339-M353 HydrophobicContact CB-SD 4.27Å |
| 340 | G | 95.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 142.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | S320 F321 R349 | S320-G340 CarbonylContact C-O 3.55Å; S320-G340 WeakPolarHBondContact CA-O 3.07Å; F321-G340 WeakPolarHBondContact CD1-O 3.21Å; F321-G340 PolarHBondContact N-O 2.86Å; F321-G340 PolarHBondContact O-N 2.81Å; G340-R349 CarbonylContact C-O 3.59Å; G340-R349 WeakPolarHBondContact CA-O 3.21Å |
| 341 | Q | 95.6 | Very high | 90.8 | Very high | 73 Ų | 73 | 47.2 Ų | 47.2 | 34% | 0.341 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 131.9 | 177.9 | -175.6 | 178.2 | 16.9 | 0 | 0 | 110.2 | D319 V343 L348 R349 | D319-Q341 WeakPolarHBondContact O-CA 3.42Å; Q341-V343 HydrophobicContact CG-CG2 4.49Å; Q341-V343 PolarHBondContact O-N 2.9Å; Q341-L348 WeakPolarHBondContact O-CA 3.19Å; Q341-R349 PolarHBondContact N-O 2.89Å; Q341-R349 PolarHBondContact O-N 3.46Å |
| 342 | L | 95.5 | Very high | 92.1 | Very high | 12 Ų | 12 | 46.4 Ų | 46.4 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 107.9 | 165.9 | -170.9 | 68.1 | 0 | 0 | 0 | 108 | L257 H260 L283 D319 T344 L348 | L257-L342 HydrophobicContact CD1-CB 3.98Å; L257-L342 HydrophobicContact CD1-CD2 4.48Å; H260-L342 HydrophobicContact CB-CD2 4.17Å; L283-L342 HydrophobicContact CD1-CD1 4.22Å; L283-L342 HydrophobicContact CD2-CD1 4.19Å; D319-L342 HydrophobicContact CB-CB 4.19Å; D319-L342 WeakPolarHBondContact CB-O 3.49Å; D319-L342 PolarHBondContact O-N 3.4Å; L342-T344 WeakPolarHBondContact CD1-O 3.36Å; L342-T344 VanDerWaalsContact CG-O 3.3Å; L342-T344 WeakPolarHBondContact CG-O 3.35Å; L342-L348 HydrophobicContact CB-CD2 4.09Å; L342-L348 HydrophobicContact CD1-CD2 3.84Å; L342-L348 HydrophobicContact CD1-CG 4.24Å |
| 343 | V | 94.4 | Very high | 92.5 | Very high | 65 Ų | 65 | 44 Ų | 44 | 39% | 0.394 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -39.4 | -175 | -178.3 | 0 | 0 | 0 | 0 | 110.4 | M297 Q341 E347 R349 | M297-V343 HydrophobicContact SD-CG2 4.24Å; Q341-V343 HydrophobicContact CG-CG2 4.49Å; Q341-V343 PolarHBondContact O-N 2.9Å; V343-E347 HydrophobicContact CB-CB 4.48Å; V343-E347 PolarHBondContact N-O 3.35Å; V343-R349 HydrophobicContact CG2-CB 3.82Å |
| 344 | T | 91 | Very high | 91.8 | Very high | 66 Ų | 66 | 48.1 Ų | 48.1 | 41% | 0.405 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 174.5 | 173.4 | 65.6 | 0 | 0 | 0 | 0 | 108.2 | L342 N346 E347 | L342-T344 WeakPolarHBondContact CD1-O 3.36Å; L342-T344 VanDerWaalsContact CG-O 3.3Å; L342-T344 WeakPolarHBondContact CG-O 3.35Å; T344-N346 PolarHBondContact O-N 3.33Å; T344-E347 PolarHBondContact O-N 3.22Å; T344-E347 VanDerWaalsContact OG1-CB 3.27Å; T344-E347 WeakPolarHBondContact OG1-CB 3.2Å; T344-E347 WeakPolarHBondContact OG1-CG 3.38Å; T344-E347 PolarHBondContact OG1-N 2.8Å; T344-E347 PolarHBondContact OG1-OE2 3.44Å |
| 345 | E | 85.2 | Confident | 90.7 | Very high | 108 Ų | 108 | 49.1 Ų | 49.1 | 51% | 0.505 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -19.3 | 178.9 | -65.5 | -173.5 | -174.2 | 0 | 0 | 114.4 | K288 R292 | K288-E345 IonicContact NZ-OE2 3.67Å; K288-E345 PolarHBondContact NZ-OE2 3.49Å; R292-E345 PolarHBondContact NH2-O 2.86Å |
| 346 | N | 86.9 | Confident | 89.1 | Confident | 76 Ų | 76 | 53.8 Ų | 53.8 | 41% | 0.406 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124 | -13.3 | -175.5 | -63.6 | -17.5 | 0 | 0 | 0 | 114.4 | R292 N295 T344 | R292-N346 WeakPolarHBondContact CD-OD1 3.25Å; R292-N346 PolarHBondContact NE-OD1 2.95Å; R292-N346 PolarHBondContact NH2-OD1 3.39Å; R292-N346 VanDerWaalsContact NH2-OD1 3.09Å; N295-N346 PolarHBondContact N-O 3.36Å; T344-N346 PolarHBondContact O-N 3.33Å |
| 347 | E | 93 | Very high | 87.1 | Confident | 59 Ų | 59 | 53.7 Ų | 53.7 | 28% | 0.276 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 123.8 | -169.2 | -63.9 | -177.5 | 145.8 | 0 | 0 | 111.8 | N295 M297 V343 T344 | N295-E347 HydrophobicContact CB-CG 4.16Å; N295-E347 PolarHBondContact ND2-OE1 2.8Å; N295-E347 WeakPolarHBondContact O-CA 3.13Å; M297-E347 HydrophobicContact CG-CB 4.43Å; V343-E347 HydrophobicContact CB-CB 4.48Å; V343-E347 PolarHBondContact N-O 3.35Å; T344-E347 PolarHBondContact O-N 3.22Å; T344-E347 VanDerWaalsContact OG1-CB 3.27Å; T344-E347 WeakPolarHBondContact OG1-CB 3.2Å; T344-E347 WeakPolarHBondContact OG1-CG 3.38Å; T344-E347 PolarHBondContact OG1-N 2.8Å; T344-E347 PolarHBondContact OG1-OE2 3.44Å |
| 348 | L | 95.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 135.4 | 172.2 | -75.1 | 173 | 0 | 0 | 0 | 110 | V262 V281 L283 A294 N295 V296 M297 F321 Q341 L342 F350 | V262-L348 HydrophobicContact CG1-CD1 3.86Å; V281-L348 HydrophobicContact CB-CD1 4.16Å; V281-L348 HydrophobicContact CG1-CD1 3.38Å; L283-L348 HydrophobicContact CD2-CD1 4.22Å; A294-L348 HydrophobicContact CB-CD1 3.53Å; A294-L348 HydrophobicContact CB-CG 4.08Å; N295-L348 PolarHBondContact O-N 3.41Å; V296-L348 WeakPolarHBondContact CA-O 3.3Å; V296-L348 HydrophobicContact CG2-CB 4.35Å; M297-L348 PolarHBondContact N-O 3.3Å; F321-L348 HydrophobicContact CE1-CD2 3.96Å; F321-L348 HydrophobicContact CZ-CD2 4.23Å; Q341-L348 WeakPolarHBondContact O-CA 3.19Å; L342-L348 HydrophobicContact CB-CD2 4.09Å; L342-L348 HydrophobicContact CD1-CD2 3.84Å; L342-L348 HydrophobicContact CD1-CG 4.24Å; L348-F350 HydrophobicContact CB-CE2 4.1Å; L348-F350 HydrophobicContact CD1-CE2 4.38Å; L348-F350 HydrophobicContact CD1-CZ 4.34Å |
| 349 | R | 94.9 | Very high | 82.9 | Confident | 134 Ų | 134 | 66.6 Ų | 66.6 | 51% | 0.506 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 138.2 | 166.4 | 173.2 | 178.5 | -97.9 | 177.9 | -6.5 | 108.8 | M297 G340 Q341 V343 | M297-R349 HydrophobicContact SD-CB 4.28Å; G340-R349 CarbonylContact C-O 3.59Å; G340-R349 WeakPolarHBondContact CA-O 3.21Å; Q341-R349 PolarHBondContact N-O 2.89Å; Q341-R349 PolarHBondContact O-N 3.46Å; V343-R349 HydrophobicContact CG2-CB 3.82Å |
| 350 | F | 94.9 | Very high | 80.9 | Confident | 6 Ų | 6 | 72.1 Ų | 72.1 | 3% | 0.026 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 150.4 | 168.3 | -67.6 | -83.9 | 0 | 0 | 0 | 111.5 | I264 V281 V296 N298 I305 F321 H339 L348 | I264-F350 HydrophobicContact CD1-CE1 4.15Å; I264-F350 HydrophobicContact CD1-CZ 4.03Å; V281-F350 HydrophobicContact CG2-CE2 4.29Å; V281-F350 HydrophobicContact CG2-CZ 4.2Å; V296-F350 HydrophobicContact CG1-CD2 3.76Å; V296-F350 HydrophobicContact CG1-CE2 4.07Å; V296-F350 HydrophobicContact CG2-CE2 4.15Å; N298-F350 PolarHBondContact ND2-O 3.19Å; N298-F350 PolarHBondContact OD1-N 3.31Å; I305-F350 HydrophobicContact CD1-CB 3.43Å; I305-F350 VanDerWaalsContact CD1-CB 3.43Å; I305-F350 HydrophobicContact CD1-CD1 3.63Å; I305-F350 HydrophobicContact CD1-CD2 3.83Å; I305-F350 HydrophobicContact CD1-CE1 4.29Å; I305-F350 HydrophobicContact CD1-CE2 4.48Å; I305-F350 HydrophobicContact CD1-CG 3.35Å; I305-F350 HydrophobicContact CG2-CD1 4.38Å; I305-F350 HydrophobicContact CG2-CE1 4.07Å; I305-F350 HydrophobicContact CG2-CZ 4.43Å; F321-F350 AromaticContact CE2-CE1 3.73Å; F321-F350 HydrophobicContact CE2-CE1 3.73Å; F321-F350 HydrophobicContact CE2-CZ 4.35Å; F321-F350 AromaticContact CZ-CE1 3.71Å; F321-F350 HydrophobicContact CZ-CE1 3.71Å; F321-F350 HydrophobicContact CZ-CZ 4.01Å; H339-F350 CarbonylContact O-C 3.56Å; H339-F350 VanDerWaalsContact O-CA 3.23Å; H339-F350 WeakPolarHBondContact O-CA 3.23Å; L348-F350 HydrophobicContact CB-CE2 4.1Å; L348-F350 HydrophobicContact CD1-CE2 4.38Å; L348-F350 HydrophobicContact CD1-CZ 4.34Å |
| 351 | A | 92.6 | Very high | 79.4 | Confident | 43 Ų | 43 | 74.5 Ų | 74.5 | 36% | 0.355 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 133.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | W338 H339 M353 | W338-A351 WeakPolarHBondContact CA-O 3.18Å; H339-A351 PolarHBondContact N-O 3.37Å; H339-A351 PolarHBondContact O-N 2.85Å; A351-M353 PolarHBondContact O-N 2.94Å |
| 352 | A | 91.6 | Very high | 78.7 | Confident | 68 Ų | 68 | 75.5 Ų | 75.5 | 56% | 0.562 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 127.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | W338 S354 | W338-A352 HydrophobicContact CE3-CB 4.01Å; W338-A352 HydrophobicContact CH2-CB 4.03Å; W338-A352 HydrophobicContact CZ3-CB 3.74Å; A352-S354 PolarHBondContact O-N 2.82Å |
| 353 | M | 88.6 | Confident | 78.3 | Confident | 23 Ų | 23 | 76.2 Ų | 76.2 | 11% | 0.113 | 43% | 0.425 | C | S | . | . | trans | -76.7 | 125.8 | 177.6 | -69.7 | -179.5 | 53.4 | 0 | 0 | 109.5 | V322 C337 H339 A351 L355 L414 W416 | V322-M353 HydrophobicContact CG1-SD 4.4Å; V322-M353 HydrophobicContact CG2-SD 4.1Å; C337-M353 HydrophobicContact CB-CB 4.26Å; C337-M353 HydrophobicContact CB-SD 4.35Å; C337-M353 PolarHBondContact O-N 3.05Å; C337-M353 PolarHBondContact SG-SD 3.08Å; H339-M353 HydrophobicContact CB-CG 4Å; H339-M353 HydrophobicContact CB-SD 4.27Å; A351-M353 PolarHBondContact O-N 2.94Å; M353-L355 PolarHBondContact O-N 3.42Å; M353-L414 HydrophobicContact CE-CD1 3.98Å; M353-L414 HydrophobicContact CE-CD2 3.86Å; M353-L414 HydrophobicContact CE-CG 4.22Å; M353-L414 HydrophobicContact SD-CD2 4.37Å; M353-W416 HydrophobicContact CE-CB 4.31Å; M353-W416 WeakPolarHBondContact CE-O 3.38Å | ||
| 354 | S | 74.2 | Confident | 78.2 | Confident | 100 Ų | 100 | 73.2 Ų | 73.2 | 70% | 0.699 | 41% | 0.406 | S | S | * | . | trans | -70.7 | 101.5 | 178.2 | -146.9 | 0 | 0 | 0 | 0 | 108.9 | A352 K356 | A352-S354 PolarHBondContact O-N 2.82Å; S354-K356 PolarHBondContact O-N 2.68Å | ||
| 355 | L | 68.3 | Low | 78.2 | Confident | 46 Ų | 46 | 75.3 Ų | 75.3 | 24% | 0.241 | 41% | 0.407 | C | S | . | . | trans | -69.1 | 94.6 | 178.8 | -64.5 | 170.3 | 0 | 0 | 0 | 108.8 | C337 M353 G357 | C337-L355 HydrophobicContact CB-CD2 4.43Å; M353-L355 PolarHBondContact O-N 3.42Å; L355-G357 PolarHBondContact O-N 3.4Å | ||
| 356 | K | 59.6 | Low | 78.6 | Confident | 159 Ų | 159 | 71.3 Ų | 71.3 | 69% | 0.691 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -71.1 | 111.1 | 173.3 | -74.8 | -175.1 | 178 | 177 | 0 | 108.4 | S354 | S354-K356 PolarHBondContact O-N 2.68Š|
| 357 | G | 49.9 | Very low | 78.9 | Confident | 32 Ų | 32 | 67.7 Ų | 67.7 | 33% | 0.33 | 37% | 0.373 | S | S | . | . | trans | 111.7 | 60 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L355 K359 L362 | L355-G357 PolarHBondContact O-N 3.4Å; G357-K359 PolarHBondContact O-N 2.94Å; G357-L362 WeakPolarHBondContact O-CB 3.17Å | ||
| 358 | T | 47.4 | Very low | 79 | Confident | 125 Ų | 125 | 65.6 Ų | 65.6 | 77% | 0.767 | 36% | 0.363 | S | S | * | . | trans | -68.2 | 10.7 | 179.9 | 45.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 359 | K | 51.7 | Low | 78.9 | Confident | 163 Ų | 163 | 66 Ų | 66 | 71% | 0.709 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -82 | 132.6 | 172.3 | -71.1 | -174.5 | 178.1 | -179.8 | 0 | 109.7 | G357 G361 L362 | G357-K359 PolarHBondContact O-N 2.94Å; K359-G361 PolarHBondContact O-N 3.08Å; K359-L362 HydrophobicContact CB-CD1 3.93Å; K359-L362 HydrophobicContact CB-CG 4.44Å; K359-L362 WeakPolarHBondContact O-CB 3.4Å; K359-L362 PolarHBondContact O-N 3.44Å; K359-L362 VanDerWaalsContact O-N 3.12Å |
| 360 | I | 53.5 | Low | 79.1 | Confident | 157 Ų | 157 | 60.3 Ų | 60.3 | 81% | 0.805 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 130.4 | 173.9 | -63.1 | 171.2 | 0 | 0 | 0 | 109.1 | ||
| 361 | G | 63.5 | Low | 79.2 | Confident | 49 Ų | 49 | 60 Ų | 60 | 51% | 0.505 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.3 | -8.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | K359 | K359-G361 PolarHBondContact O-N 3.08Š|
| 362 | L | 80.2 | Confident | 79.4 | Confident | 94 Ų | 94 | 58.8 Ų | 58.8 | 49% | 0.492 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -93.4 | -8.3 | 173.4 | -64.1 | 177.3 | 0 | 0 | 0 | 113.5 | G357 K359 W421 | G357-L362 WeakPolarHBondContact O-CB 3.17Å; K359-L362 HydrophobicContact CB-CD1 3.93Å; K359-L362 HydrophobicContact CB-CG 4.44Å; K359-L362 WeakPolarHBondContact O-CB 3.4Å; K359-L362 PolarHBondContact O-N 3.44Å; K359-L362 VanDerWaalsContact O-N 3.12Å; L362-W421 VanDerWaalsContact O-CB 3.23Å; L362-W421 WeakPolarHBondContact O-CB 3.47Å |
| 363 | H | 87.4 | Confident | 79.7 | Confident | 28 Ų | 28 | 56.2 Ų | 56.2 | 13% | 0.13 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -143.6 | 162.1 | 178.7 | 64 | 72.3 | 0 | 0 | 0 | 110.3 | N335 W421 | N335-H363 PolarHBondContact ND2-CE1 3.27Å; H363-W421 HydrophobicContact CB-CB 4.31Å; H363-W421 HydrophobicContact CB-CD2 4.46Å; H363-W421 HydrophobicContact CB-CG 3.9Å |
| 364 | P | 92.8 | Very high | 80 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 147.9 | 179 | -8.6 | 16 | 0 | 0 | 0 | 111.7 | F324 R367 W412 W421 | F324-P364 HydrophobicContact CZ-CB 4.04Å; F324-P364 HydrophobicContact CZ-CG 3.97Å; P364-R367 VanDerWaalsContact CB-NH2 3.34Å; P364-W412 HydrophobicContact CB-CD2 4.18Å; P364-W412 HydrophobicContact CB-CG 4.05Å; P364-W412 HydrophobicContact CG-CB 3.98Å; P364-W412 HydrophobicContact CG-CD2 3.8Å; P364-W412 HydrophobicContact CG-CE3 4.35Å; P364-W412 HydrophobicContact CG-CG 3.62Å; P364-W421 HydrophobicContact CG-CD2 3.98Å; P364-W421 HydrophobicContact CG-CE3 3.43Å; P364-W421 VanDerWaalsContact CG-CE3 3.43Å; P364-W421 HydrophobicContact CG-CH2 3.81Å; P364-W421 HydrophobicContact CG-CZ2 4.31Å; P364-W421 HydrophobicContact CG-CZ3 3.33Å |
| 365 | W | 91.7 | Very high | 81 | Confident | 111 Ų | 111 | 53.2 Ų | 53.2 | 42% | 0.42 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 155.8 | 167.2 | -66.6 | -5.1 | 0 | 0 | 0 | 111.8 | R367 T392 L408 | W365-R367 PolarHBondContact O-N 3.18Å; W365-R367 PolarHBondContact O-NE 3.47Å; W365-T392 HydrophobicContact CE3-CG2 4.14Å; W365-L408 HydrophobicContact CE3-CD2 4.09Å; W365-L408 HydrophobicContact CZ3-CD2 4.44Å |
| 366 | A | 92.3 | Very high | 82 | Confident | 24 Ų | 24 | 56 Ų | 56 | 20% | 0.198 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -57.4 | 127.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A333 Q334 N335 T392 | A333-A366 HydrophobicContact CB-CB 3.83Å; A333-A366 WeakPolarHBondContact O-CB 3.36Å; Q334-A366 CarbonylContact O-C 3.55Å; Q334-A366 VanDerWaalsContact O-CA 3.24Å; Q334-A366 WeakPolarHBondContact O-CA 3.43Å; N335-A366 HydrophobicContact CB-CB 3.99Å; A366-T392 VanDerWaalsContact O-CB 3.3Å; A366-T392 WeakPolarHBondContact O-CB 3.25Å; A366-T392 PolarHBondContact O-OG1 3.43Å |
| 367 | R | 94.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -152.1 | 161.3 | -169.1 | 68.7 | -174.9 | 69.5 | -151.6 | -5.1 | 114.1 | F324 G326 Q334 P364 W365 H370 G389 L391 L408 D410 | F324-R367 HydrophobicContact CE1-CG 3.92Å; G326-R367 PolarHBondContact N-O 3.28Å; Q334-R367 PolarHBondContact O-N 3.47Å; P364-R367 VanDerWaalsContact CB-NH2 3.34Å; W365-R367 PolarHBondContact O-N 3.18Å; W365-R367 PolarHBondContact O-NE 3.47Å; R367-H370 HydrophobicContact CG-CB 4.42Å; R367-G389 PolarHBondContact NH1-O 3.04Å; R367-L391 CarbonylContact C-O 3.52Å; R367-L391 WeakPolarHBondContact CA-O 3.37Å; R367-L391 WeakPolarHBondContact CB-O 3.5Å; R367-L408 HydrophobicContact CB-CD1 3.96Å; R367-L408 VanDerWaalsContact CZ-CD1 3.48Å; R367-D410 IonicContact CZ-OD1 2.68Å; R367-D410 IonicContact CZ-OD2 2.73Å; R367-D410 IonicContact NH1-OD1 3.7Å; R367-D410 PolarHBondContact NH1-OD1 2.94Å; R367-D410 IonicContact NH1-OD2 3.41Å; R367-D410 VanDerWaalsContact NH2-CG 3.33Å; R367-D410 IonicContact NH2-OD1 3.24Å; R367-D410 PolarHBondContact NH2-OD1 2.92Å; R367-D410 IonicContact NH2-OD2 3.44Å; R367-D410 PolarHBondContact NH2-OD2 3.05Å |
| 368 | W | 94.2 | Very high | 83.7 | Confident | 15 Ų | 15 | 51.4 Ų | 51.4 | 6% | 0.057 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -140.4 | 166.4 | 170.2 | 69.5 | 103.6 | 0 | 0 | 0 | 110.5 | N186 H310 W327 A333 H370 G390 L391 A405 | N186-W368 PolarHBondContact OD1-NE1 3.36Å; H310-W368 HydrophobicContact CB-CB 4.26Å; W327-W368 HydrophobicContact CB-CB 3.98Å; W327-W368 HydrophobicContact CB-CD2 4.39Å; W327-W368 HydrophobicContact CB-CG 4.02Å; W327-W368 HydrophobicContact CG-CD2 4.43Å; W327-W368 HydrophobicContact CG-CG 4.48Å; A333-W368 HydrophobicContact CB-CE3 3.53Å; A333-W368 HydrophobicContact CB-CZ3 3.6Å; W368-H370 PolarHBondContact O-N 2.87Å; W368-H370 VanDerWaalsContact O-N 3.16Å; W368-G390 CarbonylContact O-C 3.6Å; W368-G390 WeakPolarHBondContact O-CA 3.46Å; W368-L391 HydrophobicContact CD2-CB 3.76Å; W368-L391 VanDerWaalsContact CE2-CB 3.44Å; W368-L391 HydrophobicContact CE3-CB 4.14Å; W368-L391 HydrophobicContact CG-CB 4.34Å; W368-L391 HydrophobicContact CH2-CB 3.95Å; W368-L391 HydrophobicContact CZ2-CB 3.55Å; W368-L391 HydrophobicContact CZ2-CD1 3.95Å; W368-L391 HydrophobicContact CZ2-CG 4.38Å; W368-L391 HydrophobicContact CZ3-CB 4.22Å; W368-L391 WeakPolarHBondContact CZ3-O 3.47Å; W368-L391 PolarHBondContact N-O 3.15Å; W368-L391 PolarHBondContact O-N 2.64Å; W368-A405 HydrophobicContact CH2-CB 3.84Å; W368-A405 HydrophobicContact CZ2-CB 3.79Å |
| 369 | R | 94.5 | Very high | 84.6 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 57.1 | 27.3 | -179.8 | -72.3 | 171.7 | 174.8 | -79.4 | 4.4 | 113.5 | N186 E189 H310 H432 S433 | N186-R369 PolarHBondContact O-NH2 3.18Å; N186-R369 PolarHBondContact OD1-NE 3.49Å; E189-R369 IonicContact OE1-CZ 2.76Å; E189-R369 IonicContact OE1-NH1 2.7Å; E189-R369 PolarHBondContact OE1-NH1 2.95Å; E189-R369 IonicContact OE1-NH2 3.36Å; E189-R369 PolarHBondContact OE1-NH2 2.9Å; E189-R369 IonicContact OE2-CZ 3.64Å; E189-R369 IonicContact OE2-NH1 3.18Å; E189-R369 PolarHBondContact OE2-NH1 2.98Å; E189-R369 IonicContact OE2-NH2 3.64Å; E189-R369 PolarHBondContact OE2-NH2 2.87Å; H310-R369 HydrophobicContact CB-CB 4.48Å; H310-R369 HydrophobicContact CB-CG 3.64Å; H310-R369 PolarHBondContact CE1-NH2 3.34Å; H310-R369 PolarHBondContact NE2-NH2 2.75Å; H310-R369 PolarHBondContact O-N 3.34Å; R369-H432 HydrophobicContact CB-CB 4.41Å; R369-S433 VanDerWaalsContact CD-OG 3.31Å; R369-S433 WeakPolarHBondContact CD-OG 3.12Å; R369-S433 WeakPolarHBondContact CG-OG 3.4Å; R369-S433 PolarHBondContact NH1-OG 3.49Å; R369-S433 PolarHBondContact O-N 3.03Å |
| 370 | H | 97.4 | Very high | 85.5 | Confident | 15 Ų | 15 | 43.7 Ų | 43.7 | 7% | 0.069 | 25% | 0.246 | C | C | . | . | trans | -79.7 | 159 | 172.3 | 57.2 | -84.7 | 0 | 0 | 0 | 111.2 | S312 F324 R367 W368 I387 C388 | S312-H370 VanDerWaalsContact CB-NE2 3.3Å; S312-H370 WeakPolarHBondContact CB-NE2 3.48Å; S312-H370 PolarHBondContact OG-NE2 2.66Å; F324-H370 AromaticContact CD1-CE1 3.79Å; F324-H370 AromaticContact CD1-NE2 3.66Å; F324-H370 PolarHBondContact O-CE1 2.96Å; R367-H370 HydrophobicContact CG-CB 4.42Å; W368-H370 PolarHBondContact O-N 2.87Å; W368-H370 VanDerWaalsContact O-N 3.16Å; H370-I387 HydrophobicContact CB-CG2 4.34Å; H370-C388 WeakPolarHBondContact CB-O 3.02Å | ||
| 371 | G | 97.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 145.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I387 C388 H434 | G371-I387 WeakPolarHBondContact O-CA 3.42Å; G371-C388 PolarHBondContact N-O 3.21Å; G371-C388 PolarHBondContact O-N 2.81Å; G371-H434 PolarHBondContact N-NE2 3.13Å |
| 372 | A | 97.7 | Very high | 87.3 | Confident | 18 Ų | 18 | 41.2 Ų | 41.2 | 15% | 0.149 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 146.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | F386 I387 | A372-F386 WeakPolarHBondContact CA-O 3.02Å; A372-F386 WeakPolarHBondContact CB-O 3.13Å; A372-I387 HydrophobicContact CB-CG1 4.3Å |
| 373 | C | 96.9 | Very high | 87.8 | Confident | 13 Ų | 13 | 38 Ų | 38 | 9% | 0.088 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 161.6 | 173.4 | 62.1 | 0 | 0 | 0 | 0 | 111 | F386 C436 | C373-F386 PolarHBondContact N-O 3.44Å; C373-F386 VanDerWaalsContact N-O 3.13Å; C373-F386 PolarHBondContact O-N 3.38Å; C373-C436 HydrophobicContact CB-CB 4.24Å |
| 374 | L | 95.8 | Very high | 88.1 | Confident | 58 Ų | 58 | 36.8 Ų | 36.8 | 30% | 0.304 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 136.2 | 170 | -171 | 67.5 | 0 | 0 | 0 | 108.9 | T314 R315 V316 Y438 | T314-L374 HydrophobicContact CG2-CB 4.1Å; R315-L374 WeakPolarHBondContact O-CB 3.47Å; R315-L374 WeakPolarHBondContact O-CD1 3.31Å; R315-L374 WeakPolarHBondContact O-CD2 3.37Å; V316-L374 HydrophobicContact CB-CD1 4.18Å; V316-L374 HydrophobicContact CG1-CD1 4.01Å; L374-Y438 WeakPolarHBondContact O-CB 3.24Å |
| 375 | V | 95 | Very high | 88.2 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 160.1 | 175.5 | -60.4 | 0 | 0 | 0 | 0 | 110.4 | S383 A384 F386 T413 Y438 V445 L467 | V375-S383 CarbonylContact O-C 3.49Å; V375-S383 WeakPolarHBondContact O-CA 3.42Å; V375-A384 HydrophobicContact CG2-CB 4.04Å; V375-A384 VanDerWaalsContact CG2-O 3.26Å; V375-A384 WeakPolarHBondContact CG2-O 3.4Å; V375-A384 PolarHBondContact N-O 2.75Å; V375-A384 PolarHBondContact O-N 3.39Å; V375-F386 HydrophobicContact CG1-CB 3.72Å; V375-F386 HydrophobicContact CG2-CB 4.17Å; V375-T413 HydrophobicContact CG2-CG2 4.34Å; V375-Y438 HydrophobicContact CB-CD2 4.13Å; V375-Y438 HydrophobicContact CB-CE2 4.3Å; V375-Y438 HydrophobicContact CB-CG 4.41Å; V375-Y438 HydrophobicContact CG1-CD2 3.75Å; V375-Y438 HydrophobicContact CG1-CE2 4.34Å; V375-Y438 HydrophobicContact CG1-CG 4.05Å; V375-V445 HydrophobicContact CG1-CG2 3.45Å; V375-V445 VanDerWaalsContact CG1-CG2 3.45Å; V375-L467 HydrophobicContact CB-CD1 3.62Å; V375-L467 HydrophobicContact CG1-CD1 3.97Å; V375-L467 HydrophobicContact CG2-CD1 4.14Å; V375-L467 HydrophobicContact CG2-CD2 4.39Å |
| 376 | E | 88.7 | Confident | 88.5 | Confident | 105 Ų | 105 | 31.5 Ų | 31.5 | 49% | 0.491 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 140.8 | 165.4 | -67.6 | 168.7 | 159.4 | 0 | 0 | 109.4 | Y438 | E376-Y438 HydrophobicContact CB-CE1 4.46Å; E376-Y438 HydrophobicContact CG-CE1 3.96Å; E376-Y438 PolarHBondContact OE2-OH 3.23Å |
| 377 | N | 77 | Confident | 88.7 | Confident | 19 Ų | 19 | 30.3 Ų | 30.3 | 10% | 0.102 | 19% | 0.186 | C | C | . | . | trans | -81.9 | 130.9 | 177.3 | -165.8 | -20.6 | 0 | 0 | 0 | 109.9 | C379 S380 S382 A384 E415 R422 | N377-C379 VanDerWaalsContact C-N 3.28Å; N377-C379 PolarHBondContact O-N 3.49Å; N377-C379 PolarHBondContact OD1-N 2.94Å; N377-S380 WeakPolarHBondContact CB-OG 3.27Å; N377-S380 PolarHBondContact ND2-OG 3.29Å; N377-S382 WeakPolarHBondContact CB-O 3.45Å; N377-S382 PolarHBondContact N-O 3.32Å; N377-A384 HydrophobicContact CB-CB 4.31Å; N377-E415 VanDerWaalsContact ND2-CG 3.3Å; N377-E415 WeakPolarHBondContact ND2-CG 3.36Å; N377-E415 PolarHBondContact ND2-OE1 2.92Å; N377-R422 PolarHBondContact OD1-NH1 2.84Å | ||
| 378 | V | 69 | Low | 88.8 | Confident | 74 Ų | 74 | 30.3 Ų | 30.3 | 45% | 0.448 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -74.4 | -26.4 | 179.1 | -169.3 | 0 | 0 | 0 | 0 | 111 | L467 | V378-L467 HydrophobicContact CG2-CB 3.57Å; V378-L467 HydrophobicContact CG2-CD2 4.39Å; V378-L467 VanDerWaalsContact CG2-O 3.26Å; V378-L467 WeakPolarHBondContact CG2-O 3.28Å |
| 379 | C | 65.4 | Low | 89 | Confident | 87 Ų | 87 | 29.6 Ų | 29.6 | 59% | 0.588 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -101.9 | -3.8 | -173.4 | -52.5 | 0 | 0 | 0 | 0 | 113.6 | N377 R422 | N377-C379 VanDerWaalsContact C-N 3.28Å; N377-C379 PolarHBondContact O-N 3.49Å; N377-C379 PolarHBondContact OD1-N 2.94Å; C379-R422 VanDerWaalsContact CB-NH1 3.31Å |
| 380 | S | 71.6 | Confident | 89 | Confident | 39 Ų | 39 | 29.3 Ų | 29.3 | 27% | 0.273 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -151.7 | 163.7 | 178 | 67.7 | 0 | 0 | 0 | 0 | 110.4 | N377 S382 | N377-S380 WeakPolarHBondContact CB-OG 3.27Å; N377-S380 PolarHBondContact ND2-OG 3.29Å; S380-S382 PolarHBondContact O-N 2.99Å; S380-S382 VanDerWaalsContact O-N 3.15Å; S380-S382 PolarHBondContact OG-N 2.85Å; S380-S382 PolarHBondContact OG-OG 3.11Å |
| 381 | S | 71.4 | Confident | 88.7 | Confident | 139 Ų | 139 | 28.6 Ų | 28.6 | 97% | 0.972 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -73.2 | 6.1 | 170.9 | 57.7 | 0 | 0 | 0 | 0 | 113.7 | ||
| 382 | S | 81.8 | Confident | 88.3 | Confident | 16 Ų | 16 | 28.8 Ų | 28.8 | 11% | 0.112 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -94.7 | 166.1 | -178.7 | 60.5 | 0 | 0 | 0 | 0 | 111.6 | N377 S380 E417 | N377-S382 WeakPolarHBondContact CB-O 3.45Å; N377-S382 PolarHBondContact N-O 3.32Å; S380-S382 PolarHBondContact O-N 2.99Å; S380-S382 VanDerWaalsContact O-N 3.15Å; S380-S382 PolarHBondContact OG-N 2.85Å; S380-S382 PolarHBondContact OG-OG 3.11Å; S382-E417 WeakPolarHBondContact CB-OE2 3.38Å |
| 383 | S | 91 | Very high | 87.4 | Confident | 27 Ų | 27 | 34.9 Ų | 34.9 | 19% | 0.189 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 155.4 | 172.5 | 58.5 | 0 | 0 | 0 | 0 | 110.8 | V316 V375 W416 | V316-S383 PolarHBondContact O-OG 3.22Å; V375-S383 CarbonylContact O-C 3.49Å; V375-S383 WeakPolarHBondContact O-CA 3.42Å; S383-W416 PolarHBondContact OG-NE1 3.5Å |
| 384 | A | 93.7 | Very high | 86.1 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 151.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | V375 N377 L414 | V375-A384 HydrophobicContact CG2-CB 4.04Å; V375-A384 VanDerWaalsContact CG2-O 3.26Å; V375-A384 WeakPolarHBondContact CG2-O 3.4Å; V375-A384 PolarHBondContact N-O 2.75Å; V375-A384 PolarHBondContact O-N 3.39Å; N377-A384 HydrophobicContact CB-CB 4.31Å; A384-L414 CarbonylContact C-O 3.43Å; A384-L414 WeakPolarHBondContact CA-O 3.21Å; A384-L414 WeakPolarHBondContact CB-O 3.45Å |
| 385 | V | 96.2 | Very high | 84.3 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 115.5 | 172.5 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | T314 V316 V322 I387 T413 L414 | T314-V385 HydrophobicContact CG2-CG1 4.18Å; T314-V385 HydrophobicContact CG2-CG2 4.27Å; V316-V385 HydrophobicContact CG1-CG2 3.58Å; V322-V385 HydrophobicContact CB-CG2 4.25Å; V322-V385 HydrophobicContact CG2-CG2 4.36Å; V385-I387 HydrophobicContact CG1-CD1 4.26Å; V385-I387 HydrophobicContact CG1-CG1 3.96Å; V385-T413 CarbonylContact O-C 3.5Å; V385-T413 VanDerWaalsContact O-CA 3.31Å; V385-T413 WeakPolarHBondContact O-CA 3.35Å; V385-L414 HydrophobicContact CB-CB 4.31Å; V385-L414 PolarHBondContact N-O 3.2Å; V385-L414 PolarHBondContact O-N 3.37Å |
| 386 | F | 96.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 137.6 | 170.6 | 179.3 | -86.1 | 0 | 0 | 0 | 109.8 | A372 C373 V375 C388 A411 W412 T413 L424 V445 F465 W472 | A372-F386 WeakPolarHBondContact CA-O 3.02Å; A372-F386 WeakPolarHBondContact CB-O 3.13Å; C373-F386 PolarHBondContact N-O 3.44Å; C373-F386 VanDerWaalsContact N-O 3.13Å; C373-F386 PolarHBondContact O-N 3.38Å; V375-F386 HydrophobicContact CG1-CB 3.72Å; V375-F386 HydrophobicContact CG2-CB 4.17Å; F386-C388 HydrophobicContact CD1-CB 4.47Å; F386-C388 HydrophobicContact CE1-CB 3.53Å; F386-C388 VanDerWaalsContact CE1-SG 3.57Å; F386-C388 HydrophobicContact CZ-CB 3.82Å; F386-A411 HydrophobicContact CE2-CB 4.16Å; F386-A411 HydrophobicContact CZ-CB 3.95Å; F386-W412 CarbonylContact C-O 3.59Å; F386-W412 WeakPolarHBondContact CA-O 3.3Å; F386-T413 HydrophobicContact CB-CG2 4.45Å; F386-T413 HydrophobicContact CD2-CG2 4.19Å; F386-L424 HydrophobicContact CD2-CD1 3.69Å; F386-L424 HydrophobicContact CE2-CD1 3.53Å; F386-V445 HydrophobicContact CB-CG2 4.46Å; F386-V445 HydrophobicContact CD1-CG1 3.79Å; F386-V445 HydrophobicContact CD1-CG2 4.49Å; F386-V445 HydrophobicContact CD2-CG2 4.06Å; F386-V445 HydrophobicContact CE1-CG1 3.69Å; F386-V445 HydrophobicContact CE2-CG1 4.47Å; F386-V445 HydrophobicContact CE2-CG2 4.41Å; F386-V445 HydrophobicContact CG-CG1 4.23Å; F386-V445 HydrophobicContact CG-CG2 4.1Å; F386-V445 HydrophobicContact CZ-CG1 4.06Å; F386-F465 HydrophobicContact CE2-CD1 4.12Å; F386-F465 HydrophobicContact CE2-CE1 4.47Å; F386-W472 HydrophobicContact CZ-CZ2 4.47Å |
| 387 | I | 97.3 | Very high | 79.9 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 130.5 | 179.8 | -57.1 | -170.1 | 0 | 0 | 0 | 109.1 | F324 H370 G371 A372 V385 A411 W412 W421 | F324-I387 HydrophobicContact CB-CD1 4.04Å; F324-I387 HydrophobicContact CD1-CD1 3.29Å; F324-I387 HydrophobicContact CD1-CG2 4.28Å; F324-I387 HydrophobicContact CD2-CD1 4.3Å; F324-I387 HydrophobicContact CE1-CD1 3.73Å; F324-I387 HydrophobicContact CE1-CG2 4.06Å; F324-I387 HydrophobicContact CG-CD1 3.6Å; F324-I387 HydrophobicContact CZ-CD1 4.4Å; H370-I387 HydrophobicContact CB-CG2 4.34Å; G371-I387 WeakPolarHBondContact O-CA 3.42Å; A372-I387 HydrophobicContact CB-CG1 4.3Å; V385-I387 HydrophobicContact CG1-CD1 4.26Å; V385-I387 HydrophobicContact CG1-CG1 3.96Å; I387-A411 CarbonylContact O-C 3.59Å; I387-A411 WeakPolarHBondContact O-CA 3.42Å; I387-W412 PolarHBondContact N-O 2.93Å; I387-W412 PolarHBondContact O-N 2.94Å; I387-W421 HydrophobicContact CD1-CH2 3.52Å; I387-W421 HydrophobicContact CD1-CZ3 3.71Å; I387-W421 HydrophobicContact CG1-CZ3 4.36Å |
| 388 | C | 96.9 | Very high | 78 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 151.9 | 176.1 | 79.5 | 0 | 0 | 0 | 0 | 115.6 | H370 G371 F386 D410 A411 L427 H434 C436 | H370-C388 WeakPolarHBondContact CB-O 3.02Å; G371-C388 PolarHBondContact N-O 3.21Å; G371-C388 PolarHBondContact O-N 2.81Å; F386-C388 HydrophobicContact CD1-CB 4.47Å; F386-C388 HydrophobicContact CE1-CB 3.53Å; F386-C388 VanDerWaalsContact CE1-SG 3.57Å; F386-C388 HydrophobicContact CZ-CB 3.82Å; C388-D410 CarbonylContact C-O 3.56Å; C388-D410 VanDerWaalsContact CA-O 3.27Å; C388-D410 WeakPolarHBondContact CA-O 3.44Å; C388-A411 HydrophobicContact CB-CB 3.83Å; C388-L427 HydrophobicContact CB-CD1 3.4Å; C388-L427 VanDerWaalsContact CB-CD1 3.4Å; C388-L427 VanDerWaalsContact SG-CD1 3.53Å; C388-H434 PolarHBondContact O-CE1 3.31Å; C388-H434 PolarHBondContact O-NE2 2.77Å; C388-H434 PolarHBondContact SG-NE2 3.25Å; C388-C436 PolarHBondContact SG-SG 3.25Å |
| 389 | G | 97 | Very high | 76.2 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | trans | 57 | -142.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | R367 L408 D410 | R367-G389 PolarHBondContact NH1-O 3.04Å; G389-L408 WeakPolarHBondContact CA-O 3.09Å; G389-D410 PolarHBondContact N-O 2.98Å | ||
| 390 | G | 95.4 | Very high | 74.7 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | trans | 95.6 | -168.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | W368 L408 L431 | W368-G390 CarbonylContact O-C 3.6Å; W368-G390 WeakPolarHBondContact O-CA 3.46Å; G390-L408 WeakPolarHBondContact O-CB 3.35Å; G390-L408 PolarHBondContact O-N 3.49Å; G390-L431 PolarHBondContact N-O 3.43Å | ||
| 391 | L | 91.3 | Very high | 73.1 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 143.3 | -179.8 | -69.6 | 176.7 | 0 | 0 | 0 | 110.5 | Y188 R367 W368 A405 Q406 V407 H432 | Y188-L391 HydrophobicContact CE2-CD1 3.76Å; R367-L391 CarbonylContact C-O 3.52Å; R367-L391 WeakPolarHBondContact CA-O 3.37Å; R367-L391 WeakPolarHBondContact CB-O 3.5Å; W368-L391 HydrophobicContact CD2-CB 3.76Å; W368-L391 VanDerWaalsContact CE2-CB 3.44Å; W368-L391 HydrophobicContact CE3-CB 4.14Å; W368-L391 HydrophobicContact CG-CB 4.34Å; W368-L391 HydrophobicContact CH2-CB 3.95Å; W368-L391 HydrophobicContact CZ2-CB 3.55Å; W368-L391 HydrophobicContact CZ2-CD1 3.95Å; W368-L391 HydrophobicContact CZ2-CG 4.38Å; W368-L391 HydrophobicContact CZ3-CB 4.22Å; W368-L391 WeakPolarHBondContact CZ3-O 3.47Å; W368-L391 PolarHBondContact N-O 3.15Å; W368-L391 PolarHBondContact O-N 2.64Å; L391-A405 HydrophobicContact CB-CB 4.11Å; L391-A405 HydrophobicContact CD1-CB 4.23Å; L391-A405 HydrophobicContact CD2-CB 3.82Å; L391-A405 HydrophobicContact CG-CB 4.28Å; L391-Q406 WeakPolarHBondContact CA-O 2.9Å; L391-V407 HydrophobicContact CD2-CB 4.37Å; L391-V407 HydrophobicContact CD2-CG2 3.66Å; L391-H432 HydrophobicContact CD2-CB 4.05Å; L391-H432 HydrophobicContact CG-CB 3.78Å |
| 392 | T | 88.1 | Confident | 71.6 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 3% | 0.025 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 170.3 | 167.3 | -163.5 | 0 | 0 | 0 | 0 | 111.2 | W365 A366 A405 Q406 L408 | W365-T392 HydrophobicContact CE3-CG2 4.14Å; A366-T392 VanDerWaalsContact O-CB 3.3Å; A366-T392 WeakPolarHBondContact O-CB 3.25Å; A366-T392 PolarHBondContact O-OG1 3.43Å; T392-A405 CarbonylContact O-C 3.43Å; T392-A405 VanDerWaalsContact O-CA 3.26Å; T392-A405 WeakPolarHBondContact O-CA 3.18Å; T392-Q406 HydrophobicContact CG2-CB 3.87Å; T392-Q406 HydrophobicContact CG2-CG 4.37Å; T392-Q406 PolarHBondContact N-O 2.95Å; T392-Q406 PolarHBondContact O-N 2.97Å; T392-L408 HydrophobicContact CG2-CD1 4.35Å; T392-L408 HydrophobicContact CG2-CD2 3.61Å; T392-L408 HydrophobicContact CG2-CG 4.08Å |
| 393 | R | 78.9 | Confident | 69.8 | Low | 146 Ų | 146 | 65.8 Ų | 65.8 | 55% | 0.551 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 128.7 | 173.8 | -169.1 | 174.6 | 179.4 | 179.6 | -0.4 | 109.4 | F395 | R393-F395 WeakPolarHBondContact O-CD2 3.29Å; R393-F395 PolarHBondContact O-N 3.23Å |
| 394 | R | 69 | Low | 68.2 | Low | 139 Ų | 139 | 69.4 Ų | 69.4 | 53% | 0.525 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 122.9 | 168.5 | -90 | -174.1 | 171.3 | 172.2 | 0.3 | 109.8 | F404 Q406 | R394-F404 WeakPolarHBondContact CB-O 3.17Å; R394-F404 WeakPolarHBondContact CD-O 3.49Å; R394-F404 WeakPolarHBondContact CG-O 3.31Å; R394-Q406 HydrophobicContact CG-CB 3.83Å |
| 395 | F | 58.3 | Low | 67.2 | Low | 172 Ų | 172 | 70.3 Ų | 70.3 | 75% | 0.754 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -83.4 | 140 | 170.3 | -72.7 | -89.3 | 0 | 0 | 0 | 110 | R393 | R393-F395 WeakPolarHBondContact O-CD2 3.29Å; R393-F395 PolarHBondContact O-N 3.23Å |
| 396 | G | 49.1 | Very low | 66.6 | Low | 77 Ų | 77 | 73.7 Ų | 73.7 | 79% | 0.794 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 104.8 | -1.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 397 | Q | 42.3 | Very low | 66.3 | Low | 133 Ų | 133 | 74.5 Ų | 74.5 | 62% | 0.621 | 40% | 0.395 | S | S | * | . | trans | -113.5 | 88.6 | 170.7 | -76.4 | -168.2 | -25.5 | 0 | 0 | 110.8 | N399 | Q397-N399 VanDerWaalsContact C-N 3.25Å; Q397-N399 PolarHBondContact O-N 2.86Å | ||
| 398 | V | 38.1 | Very low | 66.2 | Low | 137 Ų | 137 | 74.9 Ų | 74.9 | 83% | 0.83 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -15.7 | -176.2 | -175.6 | 0 | 0 | 0 | 0 | 112.6 | ||
| 399 | N | 31.7 | Very low | 66.1 | Low | 158 Ų | 158 | 79.5 Ų | 79.5 | 85% | 0.845 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.1 | 14.5 | -166.8 | -73.5 | -16.5 | 0 | 0 | 0 | 116.7 | Q397 | Q397-N399 VanDerWaalsContact C-N 3.25Å; Q397-N399 PolarHBondContact O-N 2.86Å |
| 400 | A | 32.5 | Very low | 66.1 | Low | 46 Ų | 46 | 80 Ų | 80 | 38% | 0.38 | 42% | 0.419 | S | S | . | . | trans | -102.9 | 123.9 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | H402 | A400-H402 PolarHBondContact O-N 3.45Š| ||
| 401 | V | 37.9 | Very low | 66.1 | Low | 136 Ų | 136 | 80 Ų | 80 | 82% | 0.824 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -57.8 | 11.4 | 172.6 | 174.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 402 | H | 40.2 | Very low | 66.3 | Low | 117 Ų | 117 | 80.4 Ų | 80.4 | 54% | 0.542 | 42% | 0.421 | S | S | . | . | trans | -136.6 | 90.8 | -178.2 | -55.8 | -61.4 | 0 | 0 | 0 | 108.1 | A400 F404 | A400-H402 PolarHBondContact O-N 3.45Å; H402-F404 HydrophobicContact CB-CD2 3.87Å; H402-F404 HydrophobicContact CB-CE1 4.45Å; H402-F404 HydrophobicContact CB-CE2 3.32Å; H402-F404 HydrophobicContact CB-CZ 3.66Å; H402-F404 VanDerWaalsContact O-CD2 3.25Å; H402-F404 WeakPolarHBondContact O-CD2 3.34Å; H402-F404 PolarHBondContact O-N 2.96Å | ||
| 403 | T | 43.9 | Very low | 66.6 | Low | 87 Ų | 87 | 80.7 Ų | 80.7 | 53% | 0.534 | 42% | 0.423 | S | S | . | . | trans | -66.9 | 85.6 | 165.7 | 42.3 | 0 | 0 | 0 | 0 | 108.3 | A405 | T403-A405 PolarHBondContact O-N 3.42Š| ||
| 404 | F | 56.8 | Low | 67.2 | Low | 103 Ų | 103 | 73.8 Ų | 73.8 | 45% | 0.452 | 40% | 0.396 | S | S | . | . | trans | -67.9 | 116 | 167.8 | -65.3 | -76.8 | 0 | 0 | 0 | 107.4 | R394 H402 | R394-F404 WeakPolarHBondContact CB-O 3.17Å; R394-F404 WeakPolarHBondContact CD-O 3.49Å; R394-F404 WeakPolarHBondContact CG-O 3.31Å; H402-F404 HydrophobicContact CB-CD2 3.87Å; H402-F404 HydrophobicContact CB-CE1 4.45Å; H402-F404 HydrophobicContact CB-CE2 3.32Å; H402-F404 HydrophobicContact CB-CZ 3.66Å; H402-F404 VanDerWaalsContact O-CD2 3.25Å; H402-F404 WeakPolarHBondContact O-CD2 3.34Å; H402-F404 PolarHBondContact O-N 2.96Å | ||
| 405 | A | 72.7 | Confident | 68.3 | Low | 20 Ų | 20 | 67.6 Ų | 67.6 | 17% | 0.165 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 141.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | W368 L391 T392 T403 | W368-A405 HydrophobicContact CH2-CB 3.84Å; W368-A405 HydrophobicContact CZ2-CB 3.79Å; L391-A405 HydrophobicContact CB-CB 4.11Å; L391-A405 HydrophobicContact CD1-CB 4.23Å; L391-A405 HydrophobicContact CD2-CB 3.82Å; L391-A405 HydrophobicContact CG-CB 4.28Å; T392-A405 CarbonylContact O-C 3.43Å; T392-A405 VanDerWaalsContact O-CA 3.26Å; T392-A405 WeakPolarHBondContact O-CA 3.18Å; T403-A405 PolarHBondContact O-N 3.42Å |
| 406 | Q | 85.1 | Confident | 69.8 | Low | 73 Ų | 73 | 61.1 Ų | 61.1 | 34% | 0.341 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 126.6 | 170 | 173.9 | 177.4 | 3.2 | 0 | 0 | 108.1 | L391 T392 R394 L408 | L391-Q406 WeakPolarHBondContact CA-O 2.9Å; T392-Q406 HydrophobicContact CG2-CB 3.87Å; T392-Q406 HydrophobicContact CG2-CG 4.37Å; T392-Q406 PolarHBondContact N-O 2.95Å; T392-Q406 PolarHBondContact O-N 2.97Å; R394-Q406 HydrophobicContact CG-CB 3.83Å; Q406-L408 HydrophobicContact CG-CD2 4.49Å |
| 407 | V | 90 | Very high | 71.6 | Confident | 17 Ų | 17 | 62 Ų | 62 | 10% | 0.103 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 125.5 | 168.3 | -170.9 | 0 | 0 | 0 | 0 | 108.8 | L391 P430 L431 H432 A453 | L391-V407 HydrophobicContact CD2-CB 4.37Å; L391-V407 HydrophobicContact CD2-CG2 3.66Å; V407-P430 HydrophobicContact CB-CB 4.09Å; V407-P430 VanDerWaalsContact CG1-C 3.5Å; V407-P430 HydrophobicContact CG1-CB 3.77Å; V407-L431 VanDerWaalsContact CG1-C 3.46Å; V407-H432 HydrophobicContact CG1-CB 4.37Å; V407-A453 HydrophobicContact CB-CB 4.13Å; V407-A453 VanDerWaalsContact CG2-CA 3.45Å; V407-A453 HydrophobicContact CG2-CB 3.96Å |
| 408 | L | 94.6 | Very high | 73.7 | Confident | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -88.2 | 151.6 | -179.8 | -62.6 | 178.4 | 0 | 0 | 0 | 110.4 | W365 R367 G389 G390 T392 Q406 D410 P430 L431 | W365-L408 HydrophobicContact CE3-CD2 4.09Å; W365-L408 HydrophobicContact CZ3-CD2 4.44Å; R367-L408 HydrophobicContact CB-CD1 3.96Å; R367-L408 VanDerWaalsContact CZ-CD1 3.48Å; G389-L408 WeakPolarHBondContact CA-O 3.09Å; G390-L408 WeakPolarHBondContact O-CB 3.35Å; G390-L408 PolarHBondContact O-N 3.49Å; T392-L408 HydrophobicContact CG2-CD1 4.35Å; T392-L408 HydrophobicContact CG2-CD2 3.61Å; T392-L408 HydrophobicContact CG2-CG 4.08Å; Q406-L408 HydrophobicContact CG-CD2 4.49Å; L408-D410 WeakPolarHBondContact CB-OD1 3.35Å; L408-P430 WeakPolarHBondContact O-CA 3.35Å; L408-L431 PolarHBondContact O-N 3.29Å |
| 409 | K | 95.6 | Very high | 76.1 | Confident | 98 Ų | 98 | 55.6 Ų | 55.6 | 43% | 0.426 | 28% | 0.284 | S | S | . | . | trans | -119 | -1.4 | 170.9 | 60.6 | 170.1 | -179.7 | 146.6 | 0 | 112.5 | D426 L427 P430 | K409-D426 HydrophobicContact CB-CB 4.41Å; K409-D426 HydrophobicContact CD-CB 3.91Å; K409-D426 WeakPolarHBondContact CE-OD2 3.4Å; K409-D426 HydrophobicContact CG-CB 3.97Å; K409-D426 IonicContact NZ-OD2 3.43Å; K409-D426 PolarHBondContact NZ-OD2 2.75Å; K409-D426 CarbonylContact O-C 3.47Å; K409-D426 VanDerWaalsContact O-CA 3.26Å; K409-D426 WeakPolarHBondContact O-CA 3.15Å; K409-D426 WeakPolarHBondContact O-CB 3.36Å; K409-L427 HydrophobicContact CB-CB 4.43Å; K409-L427 PolarHBondContact O-N 2.8Å; K409-P430 HydrophobicContact CB-CB 4.19Å; K409-P430 HydrophobicContact CB-CG 4.19Å | ||
| 410 | D | 95.8 | Very high | 78.8 | Confident | 10 Ų | 10 | 51 Ų | 51 | 5% | 0.053 | 26% | 0.259 | C | S | . | . | trans | -75 | 152.3 | -173.7 | 61.2 | -22.1 | 0 | 0 | 0 | 113.3 | R367 C388 G389 L408 W412 R423 | R367-D410 IonicContact CZ-OD1 2.68Å; R367-D410 IonicContact CZ-OD2 2.73Å; R367-D410 IonicContact NH1-OD1 3.7Å; R367-D410 PolarHBondContact NH1-OD1 2.94Å; R367-D410 IonicContact NH1-OD2 3.41Å; R367-D410 VanDerWaalsContact NH2-CG 3.33Å; R367-D410 IonicContact NH2-OD1 3.24Å; R367-D410 PolarHBondContact NH2-OD1 2.92Å; R367-D410 IonicContact NH2-OD2 3.44Å; R367-D410 PolarHBondContact NH2-OD2 3.05Å; C388-D410 CarbonylContact C-O 3.56Å; C388-D410 VanDerWaalsContact CA-O 3.27Å; C388-D410 WeakPolarHBondContact CA-O 3.44Å; G389-D410 PolarHBondContact N-O 2.98Å; L408-D410 WeakPolarHBondContact CB-OD1 3.35Å; D410-W412 PolarHBondContact OD2-NE1 3.43Å; D410-R423 IonicContact OD2-NH1 2.64Å; D410-R423 PolarHBondContact OD2-NH1 2.9Å; D410-R423 VanDerWaalsContact OD2-NH1 3.1Å | ||
| 411 | A | 96.2 | Very high | 81.6 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 147.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | F386 I387 C388 R423 L424 L427 | F386-A411 HydrophobicContact CE2-CB 4.16Å; F386-A411 HydrophobicContact CZ-CB 3.95Å; I387-A411 CarbonylContact O-C 3.59Å; I387-A411 WeakPolarHBondContact O-CA 3.42Å; C388-A411 HydrophobicContact CB-CB 3.83Å; A411-R423 WeakPolarHBondContact O-CD 3.45Å; A411-L424 HydrophobicContact CB-CB 3.97Å; A411-L424 PolarHBondContact O-N 3.01Å; A411-L427 HydrophobicContact CB-CD1 4.38Å |
| 412 | W | 95.1 | Very high | 84.1 | Confident | 9 Ų | 9 | 47.2 Ų | 47.2 | 3% | 0.034 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 156.5 | -175.7 | -62.6 | 82.9 | 0 | 0 | 0 | 110.9 | P364 F386 I387 D410 W421 R422 R423 | P364-W412 HydrophobicContact CB-CD2 4.18Å; P364-W412 HydrophobicContact CB-CG 4.05Å; P364-W412 HydrophobicContact CG-CB 3.98Å; P364-W412 HydrophobicContact CG-CD2 3.8Å; P364-W412 HydrophobicContact CG-CE3 4.35Å; P364-W412 HydrophobicContact CG-CG 3.62Å; F386-W412 CarbonylContact C-O 3.59Å; F386-W412 WeakPolarHBondContact CA-O 3.3Å; I387-W412 PolarHBondContact N-O 2.93Å; I387-W412 PolarHBondContact O-N 2.94Å; D410-W412 PolarHBondContact OD2-NE1 3.43Å; W412-W421 HydrophobicContact CB-CE3 4.08Å; W412-W421 HydrophobicContact CB-CZ3 4.26Å; W412-W421 HydrophobicContact CE3-CB 4.36Å; W412-R422 CarbonylContact C-O 3.56Å; W412-R422 VanDerWaalsContact CA-O 3.22Å; W412-R422 WeakPolarHBondContact CA-O 3.37Å; W412-R423 VanDerWaalsContact CE2-NH1 3.27Å; W412-R423 HydrophobicContact CE3-CB 4.07Å; W412-R423 HydrophobicContact CH2-CB 4.14Å; W412-R423 HydrophobicContact CZ3-CB 3.84Å; W412-R423 VanDerWaalsContact NE1-NH1 3.19Å |
| 413 | T | 94.1 | Very high | 86.5 | Confident | 10 Ų | 10 | 47.2 Ų | 47.2 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 146.2 | 163.3 | 47.9 | 0 | 0 | 0 | 0 | 110.7 | V375 V385 F386 W421 R422 L424 | V375-T413 HydrophobicContact CG2-CG2 4.34Å; V385-T413 CarbonylContact O-C 3.5Å; V385-T413 VanDerWaalsContact O-CA 3.31Å; V385-T413 WeakPolarHBondContact O-CA 3.35Å; F386-T413 HydrophobicContact CB-CG2 4.45Å; F386-T413 HydrophobicContact CD2-CG2 4.19Å; T413-W421 CarbonylContact O-C 3.55Å; T413-W421 VanDerWaalsContact O-CA 3.31Å; T413-W421 WeakPolarHBondContact O-CA 3.36Å; T413-R422 PolarHBondContact N-O 2.81Å; T413-R422 PolarHBondContact O-N 2.94Å; T413-L424 HydrophobicContact CG2-CD1 3.67Å; T413-L424 HydrophobicContact CG2-CG 4.41Å |
| 414 | L | 93.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 114.3 | 171.7 | 169.3 | 62.9 | 0 | 0 | 0 | 109.1 | V322 C337 M353 A384 V385 W416 I420 W421 | V322-L414 HydrophobicContact CG1-CD2 4.18Å; C337-L414 WeakPolarHBondContact SG-CD2 3.43Å; M353-L414 HydrophobicContact CE-CD1 3.98Å; M353-L414 HydrophobicContact CE-CD2 3.86Å; M353-L414 HydrophobicContact CE-CG 4.22Å; M353-L414 HydrophobicContact SD-CD2 4.37Å; A384-L414 CarbonylContact C-O 3.43Å; A384-L414 WeakPolarHBondContact CA-O 3.21Å; A384-L414 WeakPolarHBondContact CB-O 3.45Å; V385-L414 HydrophobicContact CB-CB 4.31Å; V385-L414 PolarHBondContact N-O 3.2Å; V385-L414 PolarHBondContact O-N 3.37Å; L414-W416 HydrophobicContact CG-CB 4.49Å; L414-W416 PolarHBondContact O-N 3.29Å; L414-W416 VanDerWaalsContact O-N 3.09Å; L414-I420 WeakPolarHBondContact CA-O 3.19Å; L414-W421 HydrophobicContact CB-CD2 4.13Å; L414-W421 HydrophobicContact CB-CE3 3.81Å; L414-W421 HydrophobicContact CB-CH2 3.85Å; L414-W421 HydrophobicContact CB-CZ2 4.16Å; L414-W421 HydrophobicContact CB-CZ3 3.67Å; L414-W421 HydrophobicContact CD1-CD2 4.07Å; L414-W421 HydrophobicContact CD1-CG 4.39Å; L414-W421 HydrophobicContact CD1-CZ2 4.1Å; L414-W421 HydrophobicContact CD2-CH2 3.97Å; L414-W421 HydrophobicContact CD2-CZ2 3.82Å; L414-W421 HydrophobicContact CG-CH2 4.37Å; L414-W421 HydrophobicContact CG-CZ2 4.25Å |
| 415 | E | 91.3 | Very high | 90.7 | Very high | 9 Ų | 9 | 41.6 Ų | 41.6 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 99.6 | 163.5 | -52.8 | -164.9 | 155 | 0 | 0 | 108.1 | N377 E417 Y418 G419 I420 R422 | N377-E415 VanDerWaalsContact ND2-CG 3.3Å; N377-E415 WeakPolarHBondContact ND2-CG 3.36Å; N377-E415 PolarHBondContact ND2-OE1 2.92Å; E415-E417 VanDerWaalsContact C-N 3.32Å; E415-E417 PolarHBondContact O-N 3.37Å; E415-Y418 HydrophobicContact CB-CD2 4.37Å; E415-Y418 PolarHBondContact O-N 3.31Å; E415-G419 PolarHBondContact O-N 2.94Å; E415-I420 HydrophobicContact CB-CB 4.19Å; E415-I420 HydrophobicContact CG-CB 4.31Å; E415-I420 PolarHBondContact N-O 3.47Å; E415-I420 PolarHBondContact O-N 2.94Å; E415-R422 IonicContact OE1-CZ 2.97Å; E415-R422 IonicContact OE1-NH1 3.91Å; E415-R422 PolarHBondContact OE1-NH1 3.38Å; E415-R422 IonicContact OE1-NH2 2.67Å; E415-R422 PolarHBondContact OE1-NH2 2.97Å; E415-R422 IonicContact OE2-NH2 3.71Å |
| 416 | W | 89.8 | Confident | 91.8 | Very high | 36 Ų | 36 | 43 Ų | 43 | 14% | 0.136 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -29.4 | -163.5 | 68.1 | -89.1 | 0 | 0 | 0 | 113.2 | V316 A317 V322 M353 S383 L414 Y418 | V316-W416 HydrophobicContact CB-CD2 3.82Å; V316-W416 HydrophobicContact CB-CG 3.89Å; V316-W416 HydrophobicContact CB-CZ2 4.31Å; V316-W416 HydrophobicContact CG1-CB 4.35Å; V316-W416 HydrophobicContact CG1-CD2 4.35Å; V316-W416 HydrophobicContact CG1-CG 3.95Å; V316-W416 HydrophobicContact CG2-CD2 3.64Å; V316-W416 HydrophobicContact CG2-CE3 3.83Å; V316-W416 HydrophobicContact CG2-CG 4.14Å; V316-W416 HydrophobicContact CG2-CH2 4.24Å; V316-W416 HydrophobicContact CG2-CZ2 4.07Å; V316-W416 HydrophobicContact CG2-CZ3 4.12Å; A317-W416 HydrophobicContact CB-CH2 4.34Å; A317-W416 HydrophobicContact CB-CZ2 4.15Å; V322-W416 HydrophobicContact CG2-CB 3.93Å; M353-W416 HydrophobicContact CE-CB 4.31Å; M353-W416 WeakPolarHBondContact CE-O 3.38Å; S383-W416 PolarHBondContact OG-NE1 3.5Å; L414-W416 HydrophobicContact CG-CB 4.49Å; L414-W416 PolarHBondContact O-N 3.29Å; L414-W416 VanDerWaalsContact O-N 3.09Å; W416-Y418 VanDerWaalsContact C-N 3.31Å; W416-Y418 PolarHBondContact O-N 2.83Å |
| 417 | E | 87.5 | Confident | 92.3 | Very high | 97 Ų | 97 | 39.7 Ų | 39.7 | 45% | 0.453 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -34.3 | 177.6 | -62.4 | 177.1 | 149.1 | 0 | 0 | 112.2 | S382 E415 | S382-E417 WeakPolarHBondContact CB-OE2 3.38Å; E415-E417 VanDerWaalsContact C-N 3.32Å; E415-E417 PolarHBondContact O-N 3.37Å |
| 418 | Y | 86.2 | Confident | 92.5 | Very high | 131 Ų | 131 | 42.3 Ų | 42.3 | 51% | 0.514 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | -11.4 | -172.1 | -54.7 | -66.8 | 0 | 0 | 0 | 113.7 | E415 W416 I420 | E415-Y418 HydrophobicContact CB-CD2 4.37Å; E415-Y418 PolarHBondContact O-N 3.31Å; W416-Y418 VanDerWaalsContact C-N 3.31Å; W416-Y418 PolarHBondContact O-N 2.83Å; Y418-I420 VanDerWaalsContact C-N 3.31Å; Y418-I420 HydrophobicContact CG-CD1 4.45Å |
| 419 | G | 87.8 | Confident | 92.5 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 28.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E415 | E415-G419 PolarHBondContact O-N 2.94Š|
| 420 | I | 87.6 | Confident | 92.4 | Very high | 61 Ų | 61 | 41.9 Ų | 41.9 | 31% | 0.313 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 121.8 | -176.2 | -61.5 | 172.2 | 0 | 0 | 0 | 109.5 | L414 E415 Y418 | L414-I420 WeakPolarHBondContact CA-O 3.19Å; E415-I420 HydrophobicContact CB-CB 4.19Å; E415-I420 HydrophobicContact CG-CB 4.31Å; E415-I420 PolarHBondContact N-O 3.47Å; E415-I420 PolarHBondContact O-N 2.94Å; Y418-I420 VanDerWaalsContact C-N 3.31Å; Y418-I420 HydrophobicContact CG-CD1 4.45Å |
| 421 | W | 91.4 | Very high | 92.4 | Very high | 22 Ų | 22 | 41.5 Ų | 41.5 | 8% | 0.083 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 140.5 | 173.8 | -70.3 | 93.9 | 0 | 0 | 0 | 111.1 | F324 L362 H363 P364 I387 W412 T413 L414 | F324-W421 AromaticContact CD2-CH2 3.65Å; F324-W421 HydrophobicContact CD2-CH2 3.65Å; F324-W421 AromaticContact CD2-CZ2 3.75Å; F324-W421 HydrophobicContact CD2-CZ2 3.75Å; F324-W421 HydrophobicContact CE1-CH2 4.45Å; F324-W421 AromaticContact CE2-CH2 3.49Å; F324-W421 HydrophobicContact CE2-CH2 3.49Å; F324-W421 VanDerWaalsContact CE2-CH2 3.49Å; F324-W421 AromaticContact CE2-CZ2 3.53Å; F324-W421 HydrophobicContact CE2-CZ2 3.53Å; F324-W421 HydrophobicContact CG-CH2 4.2Å; F324-W421 AromaticContact CZ-CH2 3.93Å; F324-W421 HydrophobicContact CZ-CH2 3.93Å; F324-W421 HydrophobicContact CZ-CZ2 4.32Å; L362-W421 VanDerWaalsContact O-CB 3.23Å; L362-W421 WeakPolarHBondContact O-CB 3.47Å; H363-W421 HydrophobicContact CB-CB 4.31Å; H363-W421 HydrophobicContact CB-CD2 4.46Å; H363-W421 HydrophobicContact CB-CG 3.9Å; P364-W421 HydrophobicContact CG-CD2 3.98Å; P364-W421 HydrophobicContact CG-CE3 3.43Å; P364-W421 VanDerWaalsContact CG-CE3 3.43Å; P364-W421 HydrophobicContact CG-CH2 3.81Å; P364-W421 HydrophobicContact CG-CZ2 4.31Å; P364-W421 HydrophobicContact CG-CZ3 3.33Å; I387-W421 HydrophobicContact CD1-CH2 3.52Å; I387-W421 HydrophobicContact CD1-CZ3 3.71Å; I387-W421 HydrophobicContact CG1-CZ3 4.36Å; W412-W421 HydrophobicContact CB-CE3 4.08Å; W412-W421 HydrophobicContact CB-CZ3 4.26Å; W412-W421 HydrophobicContact CE3-CB 4.36Å; T413-W421 CarbonylContact O-C 3.55Å; T413-W421 VanDerWaalsContact O-CA 3.31Å; T413-W421 WeakPolarHBondContact O-CA 3.36Å; L414-W421 HydrophobicContact CB-CD2 4.13Å; L414-W421 HydrophobicContact CB-CE3 3.81Å; L414-W421 HydrophobicContact CB-CH2 3.85Å; L414-W421 HydrophobicContact CB-CZ2 4.16Å; L414-W421 HydrophobicContact CB-CZ3 3.67Å; L414-W421 HydrophobicContact CD1-CD2 4.07Å; L414-W421 HydrophobicContact CD1-CG 4.39Å; L414-W421 HydrophobicContact CD1-CZ2 4.1Å; L414-W421 HydrophobicContact CD2-CH2 3.97Å; L414-W421 HydrophobicContact CD2-CZ2 3.82Å; L414-W421 HydrophobicContact CG-CH2 4.37Å; L414-W421 HydrophobicContact CG-CZ2 4.25Å |
| 422 | R | 90.4 | Very high | 92.3 | Very high | 81 Ų | 81 | 41.6 Ų | 41.6 | 31% | 0.306 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 137.2 | 169.3 | -63 | -168 | -178.3 | 115.3 | 10.8 | 110.6 | N377 C379 W412 T413 E415 | N377-R422 PolarHBondContact OD1-NH1 2.84Å; C379-R422 VanDerWaalsContact CB-NH1 3.31Å; W412-R422 CarbonylContact C-O 3.56Å; W412-R422 VanDerWaalsContact CA-O 3.22Å; W412-R422 WeakPolarHBondContact CA-O 3.37Å; T413-R422 PolarHBondContact N-O 2.81Å; T413-R422 PolarHBondContact O-N 2.94Å; E415-R422 IonicContact OE1-CZ 2.97Å; E415-R422 IonicContact OE1-NH1 3.91Å; E415-R422 PolarHBondContact OE1-NH1 3.38Å; E415-R422 IonicContact OE1-NH2 2.67Å; E415-R422 PolarHBondContact OE1-NH2 2.97Å; E415-R422 IonicContact OE2-NH2 3.71Å |
| 423 | R | 92.5 | Very high | 92.3 | Very high | 117 Ų | 117 | 41.5 Ų | 41.5 | 44% | 0.442 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 135.2 | 173.6 | -178.7 | 60.1 | 175.7 | -133.3 | -6.4 | 109.4 | D410 A411 W412 D426 | D410-R423 IonicContact OD2-NH1 2.64Å; D410-R423 PolarHBondContact OD2-NH1 2.9Å; D410-R423 VanDerWaalsContact OD2-NH1 3.1Å; A411-R423 WeakPolarHBondContact O-CD 3.45Å; W412-R423 VanDerWaalsContact CE2-NH1 3.27Å; W412-R423 HydrophobicContact CE3-CB 4.07Å; W412-R423 HydrophobicContact CH2-CB 4.14Å; W412-R423 HydrophobicContact CZ3-CB 3.84Å; W412-R423 VanDerWaalsContact NE1-NH1 3.19Å; R423-D426 IonicContact CZ-OD1 3.23Å; R423-D426 IonicContact NE-OD1 2.68Å; R423-D426 IonicContact NH2-OD1 2.86Å; R423-D426 PolarHBondContact NH2-OD1 2.97Å |
| 424 | L | 93.2 | Very high | 92.4 | Very high | 15 Ų | 15 | 41.1 Ų | 41.1 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 167.3 | 171.3 | -62.3 | -179.1 | 0 | 0 | 0 | 110.3 | F386 A411 T413 F465 L470 | F386-L424 HydrophobicContact CD2-CD1 3.69Å; F386-L424 HydrophobicContact CE2-CD1 3.53Å; A411-L424 HydrophobicContact CB-CB 3.97Å; A411-L424 PolarHBondContact O-N 3.01Å; T413-L424 HydrophobicContact CG2-CD1 3.67Å; T413-L424 HydrophobicContact CG2-CG 4.41Å; L424-F465 HydrophobicContact CB-CZ 4.1Å; L424-F465 HydrophobicContact CD1-CE1 3.8Å; L424-F465 HydrophobicContact CD1-CZ 3.98Å; L424-F465 HydrophobicContact CD2-CE1 4.49Å; L424-F465 HydrophobicContact CD2-CZ 4.2Å; L424-F465 HydrophobicContact CG-CZ 4.34Å; L424-L470 HydrophobicContact CD2-CD2 4.01Å |
| 425 | P | 95.2 | Very high | 92.6 | Very high | 57 Ų | 57 | 42.6 Ų | 42.6 | 37% | 0.37 | 21% | 0.207 | S | C | . | . | P | Polyproline II helix | trans | -56.2 | 141 | 169.8 | -26.4 | 35.2 | 0 | 0 | 0 | 112.7 | F465 L470 W472 | P425-F465 HydrophobicContact CB-CE2 4.35Å; P425-F465 HydrophobicContact CG-CE2 4.17Å; P425-L470 WeakPolarHBondContact CG-O 3.43Å; P425-W472 PolarHBondContact O-NE1 2.93Å |
| 426 | D | 96.1 | Very high | 92.9 | Very high | 50 Ų | 50 | 42.4 Ų | 42.4 | 27% | 0.267 | 21% | 0.207 | S | C | . | . | P | Polyproline II helix | trans | -61.1 | 147.5 | 178.2 | -65.5 | -8.7 | 0 | 0 | 0 | 111.6 | K409 R423 W472 | K409-D426 HydrophobicContact CB-CB 4.41Å; K409-D426 HydrophobicContact CD-CB 3.91Å; K409-D426 WeakPolarHBondContact CE-OD2 3.4Å; K409-D426 HydrophobicContact CG-CB 3.97Å; K409-D426 IonicContact NZ-OD2 3.43Å; K409-D426 PolarHBondContact NZ-OD2 2.75Å; K409-D426 CarbonylContact O-C 3.47Å; K409-D426 VanDerWaalsContact O-CA 3.26Å; K409-D426 WeakPolarHBondContact O-CA 3.15Å; K409-D426 WeakPolarHBondContact O-CB 3.36Å; R423-D426 IonicContact CZ-OD1 3.23Å; R423-D426 IonicContact NE-OD1 2.68Å; R423-D426 IonicContact NH2-OD1 2.86Å; R423-D426 PolarHBondContact NH2-OD1 2.97Å; D426-W472 VanDerWaalsContact C-NE1 3.34Å; D426-W472 PolarHBondContact O-NE1 2.82Å |
| 427 | L | 95.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -49.8 | 145.8 | 164 | -93.7 | 78.4 | 0 | 0 | 0 | 110.5 | C388 K409 A411 V429 L431 W472 | C388-L427 HydrophobicContact CB-CD1 3.4Å; C388-L427 VanDerWaalsContact CB-CD1 3.4Å; C388-L427 VanDerWaalsContact SG-CD1 3.53Å; K409-L427 HydrophobicContact CB-CB 4.43Å; K409-L427 PolarHBondContact O-N 2.8Å; A411-L427 HydrophobicContact CB-CD1 4.38Å; L427-V429 VanDerWaalsContact CB-O 3.29Å; L427-V429 WeakPolarHBondContact CB-O 3.43Å; L427-V429 PolarHBondContact O-N 3.05Å; L427-V429 VanDerWaalsContact O-N 3.14Å; L427-L431 HydrophobicContact CD2-CB 4.37Å; L427-L431 HydrophobicContact CD2-CD1 3.97Å; L427-L431 HydrophobicContact CD2-CG 4.44Å; L427-W472 HydrophobicContact CB-CZ2 4.26Å; L427-W472 HydrophobicContact CD1-CH2 3.74Å; L427-W472 HydrophobicContact CD1-CZ2 3.32Å; L427-W472 HydrophobicContact CD2-CH2 4.46Å; L427-W472 HydrophobicContact CG-CH2 3.66Å; L427-W472 HydrophobicContact CG-CZ2 3.45Å; L427-W472 VanDerWaalsContact CG-CZ2 3.45Å |
| 428 | P | 94.5 | Very high | 93.5 | Very high | 72 Ų | 72 | 38.5 Ų | 38.5 | 47% | 0.468 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -55.6 | -32.4 | 174.2 | -27 | 36.6 | 0 | 0 | 0 | 112.8 | Y463 W472 | P428-Y463 HydrophobicContact CB-CD1 4.26Å; P428-Y463 HydrophobicContact CB-CE1 4.22Å; P428-Y463 HydrophobicContact CG-CD1 3.87Å; P428-Y463 HydrophobicContact CG-CE1 4.34Å; P428-W472 HydrophobicContact CG-CB 4.11Å; P428-W472 HydrophobicContact CG-CD2 4.25Å; P428-W472 HydrophobicContact CG-CG 4.03Å |
| 429 | V | 93.2 | Very high | 93.8 | Very high | 49 Ų | 49 | 32.7 Ų | 32.7 | 30% | 0.297 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -133.7 | 145.6 | 178.8 | -65 | 0 | 0 | 0 | 0 | 111.7 | L427 L431 Y463 | L427-V429 VanDerWaalsContact CB-O 3.29Å; L427-V429 WeakPolarHBondContact CB-O 3.43Å; L427-V429 PolarHBondContact O-N 3.05Å; L427-V429 VanDerWaalsContact O-N 3.14Å; V429-L431 HydrophobicContact CG2-CD1 3.88Å; V429-L431 HydrophobicContact CG2-CD2 4.17Å; V429-L431 HydrophobicContact CG2-CG 3.85Å; V429-L431 PolarHBondContact O-N 3.16Å; V429-Y463 HydrophobicContact CG2-CE1 4.08Å; V429-Y463 HydrophobicContact CG2-CE2 4.06Å; V429-Y463 VanDerWaalsContact CG2-OH 3.22Å; V429-Y463 WeakPolarHBondContact CG2-OH 3.45Å |
| 430 | P | 93.9 | Very high | 93.7 | Very high | 47 Ų | 47 | 34.7 Ų | 34.7 | 31% | 0.305 | 18% | 0.184 | S | C | . | . | trans | -66.2 | 126.5 | 171.6 | -15.4 | 29 | 0 | 0 | 0 | 111 | V407 L408 K409 | V407-P430 HydrophobicContact CB-CB 4.09Å; V407-P430 VanDerWaalsContact CG1-C 3.5Å; V407-P430 HydrophobicContact CG1-CB 3.77Å; L408-P430 WeakPolarHBondContact O-CA 3.35Å; K409-P430 HydrophobicContact CB-CB 4.19Å; K409-P430 HydrophobicContact CB-CG 4.19Å | ||
| 431 | L | 95.2 | Very high | 93.6 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | trans | -138.2 | 145.2 | -179.2 | -66.6 | 173.5 | 0 | 0 | 0 | 112.6 | G390 V407 L408 L427 V429 H434 L451 Y463 | G390-L431 PolarHBondContact N-O 3.43Å; V407-L431 VanDerWaalsContact CG1-C 3.46Å; L408-L431 PolarHBondContact O-N 3.29Å; L427-L431 HydrophobicContact CD2-CB 4.37Å; L427-L431 HydrophobicContact CD2-CD1 3.97Å; L427-L431 HydrophobicContact CD2-CG 4.44Å; V429-L431 HydrophobicContact CG2-CD1 3.88Å; V429-L431 HydrophobicContact CG2-CD2 4.17Å; V429-L431 HydrophobicContact CG2-CG 3.85Å; V429-L431 PolarHBondContact O-N 3.16Å; L431-H434 HydrophobicContact CB-CB 4.45Å; L431-H434 WeakPolarHBondContact CB-ND1 3.36Å; L431-H434 PolarHBondContact O-CE1 2.87Å; L431-H434 PolarHBondContact O-ND1 3.4Å; L431-L451 WeakPolarHBondContact CA-O 3.22Å; L431-Y463 HydrophobicContact CD1-CD2 4.29Å; L431-Y463 HydrophobicContact CD1-CE2 3.81Å | ||
| 432 | H | 94.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -131.2 | 161.6 | 164.2 | 72 | 90.6 | 0 | 0 | 0 | 111.2 | Y188 R369 L391 V407 H434 G450 L451 | Y188-H432 AromaticContact CD1-CE1 3.96Å; Y188-H432 AromaticContact CE1-CE1 3.91Å; R369-H432 HydrophobicContact CB-CB 4.41Å; L391-H432 HydrophobicContact CD2-CB 4.05Å; L391-H432 HydrophobicContact CG-CB 3.78Å; V407-H432 HydrophobicContact CG1-CB 4.37Å; H432-H434 PolarHBondContact O-N 3.39Å; H432-G450 CarbonylContact O-C 3.26Å; H432-G450 VanDerWaalsContact O-CA 3.24Å; H432-G450 WeakPolarHBondContact O-CA 3.34Å; H432-L451 PolarHBondContact CD2-O 3.21Å; H432-L451 PolarHBondContact N-O 3.44Å; H432-L451 WeakPolarHBondContact NE2-CB 3.12Å; H432-L451 PolarHBondContact O-N 3.23Å |
| 433 | S | 95.2 | Very high | 93.2 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 6% | 0.056 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 55.5 | 22.7 | -178.9 | -63.5 | 0 | 0 | 0 | 0 | 114.3 | R369 G486 | R369-S433 VanDerWaalsContact CD-OG 3.31Å; R369-S433 WeakPolarHBondContact CD-OG 3.12Å; R369-S433 WeakPolarHBondContact CG-OG 3.4Å; R369-S433 PolarHBondContact NH1-OG 3.49Å; R369-S433 PolarHBondContact O-N 3.03Å; S433-G486 PolarHBondContact O-N 3.07Å |
| 434 | H | 96.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | trans | -81.8 | 171.8 | 164.9 | 63.3 | -88.3 | 0 | 0 | 0 | 109.5 | G371 C388 L431 H432 I448 G449 | G371-H434 PolarHBondContact N-NE2 3.13Å; C388-H434 PolarHBondContact O-CE1 3.31Å; C388-H434 PolarHBondContact O-NE2 2.77Å; C388-H434 PolarHBondContact SG-NE2 3.25Å; L431-H434 HydrophobicContact CB-CB 4.45Å; L431-H434 WeakPolarHBondContact CB-ND1 3.36Å; L431-H434 PolarHBondContact O-CE1 2.87Å; L431-H434 PolarHBondContact O-ND1 3.4Å; H432-H434 PolarHBondContact O-N 3.39Å; H434-I448 WeakPolarHBondContact CA-O 3.37Å; H434-I448 WeakPolarHBondContact CB-O 3.4Å; H434-G449 VanDerWaalsContact CB-O 3.23Å; H434-G449 WeakPolarHBondContact CB-O 3.42Å | ||
| 435 | Q | 97 | Very high | 93.4 | Very high | 31 Ų | 31 | 31.5 Ų | 31.5 | 15% | 0.145 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 153.6 | 172.7 | -65.8 | -61.6 | -27.1 | 0 | 0 | 111.5 | A447 I448 F487 S489 | Q435-A447 WeakPolarHBondContact O-CA 3.37Å; Q435-I448 HydrophobicContact CB-CG2 4.39Å; Q435-I448 PolarHBondContact N-O 3.39Å; Q435-I448 PolarHBondContact O-N 2.81Å; Q435-F487 HydrophobicContact CB-CE2 3.78Å; Q435-F487 HydrophobicContact CB-CZ 4.02Å; Q435-F487 HydrophobicContact CG-CD2 3.83Å; Q435-F487 HydrophobicContact CG-CE1 4.46Å; Q435-F487 HydrophobicContact CG-CE2 3.42Å; Q435-F487 VanDerWaalsContact CG-CE2 3.42Å; Q435-F487 HydrophobicContact CG-CG 4.5Å; Q435-F487 HydrophobicContact CG-CZ 3.79Å; Q435-F487 PolarHBondContact NE2-O 3.24Å; Q435-S489 WeakPolarHBondContact CB-OG 3.33Å |
| 436 | C | 97.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 3% | 0.034 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 140.9 | 173 | -65.8 | 0 | 0 | 0 | 0 | 110 | C373 C388 V445 V446 | C373-C436 HydrophobicContact CB-CB 4.24Å; C388-C436 PolarHBondContact SG-SG 3.25Å; C436-V445 HydrophobicContact CB-CG1 4.3Å; C436-V446 CarbonylContact C-O 3.44Å; C436-V446 VanDerWaalsContact CA-O 3.22Å; C436-V446 WeakPolarHBondContact CA-O 3.5Å |
| 437 | S | 95.5 | Very high | 93.6 | Very high | 12 Ų | 12 | 26.5 Ų | 26.5 | 8% | 0.084 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 146 | 173.8 | -63.4 | 0 | 0 | 0 | 0 | 109.9 | V446 S489 L497 | S437-V446 PolarHBondContact N-O 2.83Å; S437-V446 PolarHBondContact O-N 2.75Å; S437-S489 PolarHBondContact OG-OG 3.19Å; S437-L497 WeakPolarHBondContact OG-CD1 2.97Å |
| 438 | Y | 94.7 | Very high | 93.7 | Very high | 39 Ų | 39 | 26.4 Ų | 26.4 | 15% | 0.153 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 135.4 | -179.6 | -177.9 | -124.6 | 0 | 0 | 0 | 110.3 | L374 V375 E376 A440 S443 L444 V445 L467 | L374-Y438 WeakPolarHBondContact O-CB 3.24Å; V375-Y438 HydrophobicContact CB-CD2 4.13Å; V375-Y438 HydrophobicContact CB-CE2 4.3Å; V375-Y438 HydrophobicContact CB-CG 4.41Å; V375-Y438 HydrophobicContact CG1-CD2 3.75Å; V375-Y438 HydrophobicContact CG1-CE2 4.34Å; V375-Y438 HydrophobicContact CG1-CG 4.05Å; E376-Y438 HydrophobicContact CB-CE1 4.46Å; E376-Y438 HydrophobicContact CG-CE1 3.96Å; E376-Y438 PolarHBondContact OE2-OH 3.23Å; Y438-A440 HydrophobicContact CD1-CB 4.19Å; Y438-A440 HydrophobicContact CE1-CB 3.69Å; Y438-S443 WeakPolarHBondContact OH-CA 3.25Å; Y438-L444 WeakPolarHBondContact CD2-O 3.46Å; Y438-V445 HydrophobicContact CD2-CG2 4.28Å; Y438-L467 HydrophobicContact CD2-CD1 4.17Å; Y438-L467 HydrophobicContact CE2-CD1 3.53Å |
| 439 | V | 91.7 | Very high | 93.7 | Very high | 9 Ų | 9 | 23.1 Ų | 23.1 | 6% | 0.055 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 99.8 | 177.5 | 176.6 | 0 | 0 | 0 | 0 | 106.4 | N441 S443 L444 V446 E494 L518 | V439-N441 WeakPolarHBondContact CG1-OD1 3.47Å; V439-S443 PolarHBondContact O-N 3.04Å; V439-L444 HydrophobicContact CB-CB 4.35Å; V439-L444 PolarHBondContact N-O 3.42Å; V439-L444 PolarHBondContact O-N 3.31Å; V439-V446 HydrophobicContact CG2-CG2 3.83Å; V439-E494 WeakPolarHBondContact CG1-O 3.44Å; V439-L518 HydrophobicContact CG2-CD1 3.64Å |
| 440 | A | 86.7 | Confident | 93.8 | Very high | 45 Ų | 45 | 20.8 Ų | 20.8 | 37% | 0.372 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -42.7 | -163.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y438 E442 S443 | Y438-A440 HydrophobicContact CD1-CB 4.19Å; Y438-A440 HydrophobicContact CE1-CB 3.69Å; A440-E442 PolarHBondContact O-N 2.9Å; A440-S443 PolarHBondContact O-N 2.91Å |
| 441 | N | 84.6 | Confident | 93.6 | Very high | 78 Ų | 78 | 18.5 Ų | 18.5 | 42% | 0.417 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -34.4 | -177.9 | 63.5 | -13.7 | 0 | 0 | 0 | 114.3 | V439 E494 | V439-N441 WeakPolarHBondContact CG1-OD1 3.47Å; N441-E494 HydrophobicContact CB-CG 4.45Å; N441-E494 WeakPolarHBondContact CB-OE2 3.2Å; N441-E494 VanDerWaalsContact CG-OE2 3.26Å; N441-E494 WeakPolarHBondContact ND2-CB 3.42Å; N441-E494 PolarHBondContact ND2-OE2 3.32Å |
| 442 | E | 83.4 | Confident | 93.3 | Very high | 117 Ų | 117 | 19.2 Ų | 19.2 | 55% | 0.547 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 2.5 | 179.4 | -64.6 | -172.8 | -168.3 | 0 | 0 | 112.7 | A440 L444 | A440-E442 PolarHBondContact O-N 2.9Å; E442-L444 VanDerWaalsContact C-N 3.26Å; E442-L444 HydrophobicContact CB-CD1 3.81Å; E442-L444 HydrophobicContact CB-CG 3.64Å; E442-L444 WeakPolarHBondContact O-CG 3.49Å; E442-L444 PolarHBondContact O-N 3.44Å; E442-L444 WeakPolarHBondContact OE2-CD1 3.37Å |
| 443 | S | 91.1 | Very high | 92.5 | Very high | 30 Ų | 30 | 22.1 Ų | 22.1 | 21% | 0.21 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 46.1 | -172 | -54.4 | 0 | 0 | 0 | 0 | 112.9 | Y438 V439 A440 L467 | Y438-S443 WeakPolarHBondContact OH-CA 3.25Å; V439-S443 PolarHBondContact O-N 3.04Å; A440-S443 PolarHBondContact O-N 2.91Å; S443-L467 WeakPolarHBondContact O-CB 3.24Å; S443-L467 PolarHBondContact O-N 3.26Å |
| 444 | L | 94 | Very high | 91.2 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 138.9 | -177.3 | -60.9 | -176.3 | 0 | 0 | 0 | 112.3 | Y438 V439 E442 F464 F465 L473 | Y438-L444 WeakPolarHBondContact CD2-O 3.46Å; V439-L444 HydrophobicContact CB-CB 4.35Å; V439-L444 PolarHBondContact N-O 3.42Å; V439-L444 PolarHBondContact O-N 3.31Å; E442-L444 VanDerWaalsContact C-N 3.26Å; E442-L444 HydrophobicContact CB-CD1 3.81Å; E442-L444 HydrophobicContact CB-CG 3.64Å; E442-L444 WeakPolarHBondContact O-CG 3.49Å; E442-L444 PolarHBondContact O-N 3.44Å; E442-L444 WeakPolarHBondContact OE2-CD1 3.37Å; L444-F464 HydrophobicContact CD1-CD1 3.99Å; L444-F465 CarbonylContact C-O 3.54Å; L444-F465 WeakPolarHBondContact CA-O 3.36Å; L444-L473 HydrophobicContact CD2-CD1 3.67Å |
| 445 | V | 96.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 128.3 | 161.6 | 179 | 0 | 0 | 0 | 0 | 108.9 | V375 F386 C436 Y438 F465 L467 | V375-V445 HydrophobicContact CG1-CG2 3.45Å; V375-V445 VanDerWaalsContact CG1-CG2 3.45Å; F386-V445 HydrophobicContact CB-CG2 4.46Å; F386-V445 HydrophobicContact CD1-CG1 3.79Å; F386-V445 HydrophobicContact CD1-CG2 4.49Å; F386-V445 HydrophobicContact CD2-CG2 4.06Å; F386-V445 HydrophobicContact CE1-CG1 3.69Å; F386-V445 HydrophobicContact CE2-CG1 4.47Å; F386-V445 HydrophobicContact CE2-CG2 4.41Å; F386-V445 HydrophobicContact CG-CG1 4.23Å; F386-V445 HydrophobicContact CG-CG2 4.1Å; F386-V445 HydrophobicContact CZ-CG1 4.06Å; C436-V445 HydrophobicContact CB-CG1 4.3Å; Y438-V445 HydrophobicContact CD2-CG2 4.28Å; V445-F465 HydrophobicContact CB-CB 4.26Å; V445-F465 PolarHBondContact N-O 2.87Å; V445-F465 PolarHBondContact O-N 2.75Å; V445-L467 HydrophobicContact CG2-CD1 4.34Å; V445-L467 HydrophobicContact CG2-CG 4.47Å |
| 446 | V | 96.8 | Very high | 88.5 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 120.8 | 174.6 | 176.7 | 0 | 0 | 0 | 0 | 108.9 | C436 S437 V439 I462 Y463 F464 L518 | C436-V446 CarbonylContact C-O 3.44Å; C436-V446 VanDerWaalsContact CA-O 3.22Å; C436-V446 WeakPolarHBondContact CA-O 3.5Å; S437-V446 PolarHBondContact N-O 2.83Å; S437-V446 PolarHBondContact O-N 2.75Å; V439-V446 HydrophobicContact CG2-CG2 3.83Å; V446-I462 HydrophobicContact CG1-CG2 3.28Å; V446-Y463 WeakPolarHBondContact CA-O 3.46Å; V446-F464 HydrophobicContact CG2-CD1 3.87Å; V446-F464 HydrophobicContact CG2-CE1 3.79Å; V446-L518 HydrophobicContact CG1-CD2 4.11Å; V446-L518 HydrophobicContact CG2-CD1 4.37Å; V446-L518 HydrophobicContact CG2-CD2 4.31Å |
| 447 | A | 97.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 126.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q435 Y463 W472 | Q435-A447 WeakPolarHBondContact O-CA 3.37Å; A447-Y463 PolarHBondContact N-O 2.83Å; A447-Y463 PolarHBondContact O-N 2.88Å; A447-W472 HydrophobicContact CB-CH2 4.07Å; A447-W472 HydrophobicContact CB-CZ3 4.17Å |
| 448 | I | 97 | Very high | 87.6 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 145.5 | -174.2 | -171 | 170.5 | 0 | 0 | 0 | 111.5 | H434 Q435 I462 L478 F487 L497 L499 V516 | H434-I448 WeakPolarHBondContact CA-O 3.37Å; H434-I448 WeakPolarHBondContact CB-O 3.4Å; Q435-I448 HydrophobicContact CB-CG2 4.39Å; Q435-I448 PolarHBondContact N-O 3.39Å; Q435-I448 PolarHBondContact O-N 2.81Å; I448-I462 HydrophobicContact CD1-CG1 4.05Å; I448-I462 HydrophobicContact CG1-CG1 4.37Å; I448-L478 HydrophobicContact CD1-CD1 4.13Å; I448-L478 HydrophobicContact CD1-CD2 4.13Å; I448-L478 HydrophobicContact CG1-CD1 4.31Å; I448-F487 HydrophobicContact CG2-CE2 4.2Å; I448-F487 HydrophobicContact CG2-CZ 4.08Å; I448-F487 WeakPolarHBondContact O-CZ 3.23Å; I448-L497 HydrophobicContact CD1-CD2 4.16Å; I448-L497 HydrophobicContact CG2-CD2 3.72Å; I448-L499 HydrophobicContact CD1-CD1 4.2Å; I448-L499 HydrophobicContact CD1-CD2 4.17Å; I448-L499 HydrophobicContact CG2-CD2 4.37Å; I448-V516 HydrophobicContact CD1-CG1 4.28Å; I448-V516 HydrophobicContact CD1-CG2 4.19Å |
| 449 | G | 95.4 | Very high | 87.5 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | trans | 69.1 | -159.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | H434 S459 R484 | H434-G449 VanDerWaalsContact CB-O 3.23Å; H434-G449 WeakPolarHBondContact CB-O 3.42Å; G449-S459 WeakPolarHBondContact CA-O 3.49Å; G449-S459 VanDerWaalsContact O-CB 3.3Å; G449-S459 WeakPolarHBondContact O-CB 3.25Å; G449-R484 WeakPolarHBondContact CA-O 3.41Å | ||
| 450 | G | 95 | Very high | 87.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | 94.8 | 178 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | H432 S459 R484 | H432-G450 CarbonylContact O-C 3.26Å; H432-G450 VanDerWaalsContact O-CA 3.24Å; H432-G450 WeakPolarHBondContact O-CA 3.34Å; G450-S459 PolarHBondContact O-N 2.71Å; G450-R484 PolarHBondContact N-O 3.36Å | ||
| 451 | L | 90.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -114.3 | 144.6 | -180 | -70.6 | 175.8 | 0 | 0 | 0 | 111.3 | Y188 L431 H432 F458 Y485 | Y188-L451 HydrophobicContact CD1-CD1 4.21Å; L431-L451 WeakPolarHBondContact CA-O 3.22Å; H432-L451 PolarHBondContact CD2-O 3.21Å; H432-L451 PolarHBondContact N-O 3.44Å; H432-L451 WeakPolarHBondContact NE2-CB 3.12Å; H432-L451 PolarHBondContact O-N 3.23Å; L451-F458 HydrophobicContact CD2-CD1 4.12Å; L451-F458 HydrophobicContact CD2-CD2 3.52Å; L451-F458 HydrophobicContact CD2-CE1 4.14Å; L451-F458 HydrophobicContact CD2-CE2 3.46Å; L451-F458 VanDerWaalsContact CD2-CE2 3.46Å; L451-F458 HydrophobicContact CD2-CG 3.84Å; L451-F458 HydrophobicContact CD2-CZ 3.85Å; L451-Y485 HydrophobicContact CD1-CD1 3.75Å; L451-Y485 HydrophobicContact CD1-CD2 3.64Å; L451-Y485 HydrophobicContact CD1-CE1 3.71Å; L451-Y485 HydrophobicContact CD1-CE2 3.58Å; L451-Y485 HydrophobicContact CD1-CG 3.71Å; L451-Y485 HydrophobicContact CD2-CD1 3.73Å; L451-Y485 HydrophobicContact CD2-CE1 4.04Å; L451-Y485 HydrophobicContact CD2-CG 4.2Å; L451-Y485 HydrophobicContact CG-CD1 3.6Å; L451-Y485 HydrophobicContact CG-CD2 3.99Å; L451-Y485 HydrophobicContact CG-CE1 4.04Å; L451-Y485 HydrophobicContact CG-CE2 4.37Å; L451-Y485 HydrophobicContact CG-CG 3.56Å |
| 452 | S | 89 | Confident | 88.5 | Confident | 17 Ų | 17 | 32.1 Ų | 32.1 | 12% | 0.119 | 17% | 0.172 | C | C | . | . | trans | -82.9 | 178 | 173.6 | 102.9 | 0 | 0 | 0 | 0 | 112.6 | M454 E455 Q457 | S452-M454 PolarHBondContact O-N 3.26Å; S452-M454 VanDerWaalsContact O-N 3.16Å; S452-M454 PolarHBondContact OG-N 2.92Å; S452-M454 VanDerWaalsContact OG-N 3.15Å; S452-E455 PolarHBondContact O-N 2.79Å; S452-E455 VanDerWaalsContact O-N 3.09Å; S452-Q457 PolarHBondContact N-O 2.74Å; S452-Q457 WeakPolarHBondContact OG-CB 3.31Å; S452-Q457 PolarHBondContact OG-OE1 3.12Å | ||
| 453 | A | 77 | Confident | 89.1 | Confident | 62 Ų | 62 | 27 Ų | 27 | 51% | 0.512 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -19.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | V407 E455 | V407-A453 HydrophobicContact CB-CB 4.13Å; V407-A453 VanDerWaalsContact CG2-CA 3.45Å; V407-A453 HydrophobicContact CG2-CB 3.96Å; A453-E455 PolarHBondContact O-N 2.77Å |
| 454 | M | 67.3 | Low | 89.4 | Confident | 122 Ų | 122 | 26 Ų | 26 | 60% | 0.601 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -4.9 | 177.7 | -60.7 | -60.1 | -71 | 0 | 0 | 112.7 | S452 D456 Q457 | S452-M454 PolarHBondContact O-N 3.26Å; S452-M454 VanDerWaalsContact O-N 3.16Å; S452-M454 PolarHBondContact OG-N 2.92Å; S452-M454 VanDerWaalsContact OG-N 3.15Å; M454-D456 WeakPolarHBondContact CB-OD1 3.21Å; M454-D456 PolarHBondContact O-N 2.86Å; M454-Q457 HydrophobicContact CB-CG 4.16Å |
| 455 | E | 69.9 | Low | 89.5 | Confident | 27 Ų | 27 | 25.8 Ų | 25.8 | 13% | 0.126 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 61.5 | -18.1 | -176.4 | -51.7 | -170.9 | 154.2 | 0 | 0 | 114.7 | R8 Y188 H192 S452 A453 | R8-E455 IonicContact CZ-OE2 2.92Å; R8-E455 VanDerWaalsContact CZ-OE2 3.23Å; R8-E455 IonicContact NH1-OE2 2.8Å; R8-E455 PolarHBondContact NH1-OE2 3.37Å; R8-E455 IonicContact NH2-OE2 3.24Å; R8-E455 PolarHBondContact NH2-OE2 2.76Å; Y188-E455 HydrophobicContact CE1-CB 4.38Å; Y188-E455 HydrophobicContact CE1-CG 3.89Å; Y188-E455 VanDerWaalsContact CE1-OE1 3.3Å; Y188-E455 WeakPolarHBondContact CE1-OE1 3.35Å; Y188-E455 PolarHBondContact OH-OE1 3.18Å; H192-E455 PolarHBondContact CE1-O 2.77Å; H192-E455 PolarHBondContact NE2-O 2.83Å; S452-E455 PolarHBondContact O-N 2.79Å; S452-E455 VanDerWaalsContact O-N 3.09Å; A453-E455 PolarHBondContact O-N 2.77Å |
| 456 | D | 68.3 | Low | 89.5 | Confident | 96 Ų | 96 | 26.2 Ų | 26.2 | 51% | 0.513 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -106.3 | -6 | 179.7 | 64.2 | -9.3 | 0 | 0 | 0 | 114.2 | M454 | M454-D456 WeakPolarHBondContact CB-OD1 3.21Å; M454-D456 PolarHBondContact O-N 2.86Å |
| 457 | Q | 82.8 | Confident | 89.3 | Confident | 109 Ų | 109 | 26.4 Ų | 26.4 | 51% | 0.509 | 14% | 0.143 | S | C | . | . | trans | -97.8 | 109.5 | 179.1 | -68.3 | 173.1 | -10.4 | 0 | 0 | 110.9 | S452 M454 | S452-Q457 PolarHBondContact N-O 2.74Å; S452-Q457 WeakPolarHBondContact OG-CB 3.31Å; S452-Q457 PolarHBondContact OG-OE1 3.12Å; M454-Q457 HydrophobicContact CB-CG 4.16Å | ||
| 458 | F | 91 | Very high | 88.9 | Confident | 15 Ų | 15 | 30.3 Ų | 30.3 | 7% | 0.066 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -86.2 | 136.4 | 177.1 | -72.7 | -120.8 | 0 | 0 | 0 | 109.3 | H192 L451 A460 Y485 V503 N504 E505 F507 | H192-F458 AromaticContact CE1-CE2 3.89Å; H192-F458 AromaticContact CE1-CZ 3.99Å; H192-F458 AromaticContact ND1-CE2 3.77Å; H192-F458 AromaticContact ND1-CZ 3.43Å; H192-F458 WeakPolarHBondContact ND1-CZ 3.15Å; L451-F458 HydrophobicContact CD2-CD1 4.12Å; L451-F458 HydrophobicContact CD2-CD2 3.52Å; L451-F458 HydrophobicContact CD2-CE1 4.14Å; L451-F458 HydrophobicContact CD2-CE2 3.46Å; L451-F458 VanDerWaalsContact CD2-CE2 3.46Å; L451-F458 HydrophobicContact CD2-CG 3.84Å; L451-F458 HydrophobicContact CD2-CZ 3.85Å; F458-A460 PolarHBondContact O-N 3.29Å; F458-Y485 AromaticContact CD1-CD1 3.96Å; F458-Y485 HydrophobicContact CD1-CD1 3.96Å; F458-Y485 AromaticContact CE1-CD1 3.31Å; F458-Y485 HydrophobicContact CE1-CD1 3.31Å; F458-Y485 AromaticContact CE1-CE1 3.49Å; F458-Y485 HydrophobicContact CE1-CE1 3.49Å; F458-Y485 VanDerWaalsContact CE1-CE1 3.49Å; F458-Y485 HydrophobicContact CE2-CE1 4.44Å; F458-Y485 AromaticContact CZ-CD1 3.74Å; F458-Y485 HydrophobicContact CZ-CD1 3.74Å; F458-Y485 AromaticContact CZ-CE1 3.46Å; F458-Y485 HydrophobicContact CZ-CE1 3.46Å; F458-Y485 VanDerWaalsContact CZ-CE1 3.46Å; F458-V503 WeakPolarHBondContact CE1-O 3.03Å; F458-N504 WeakPolarHBondContact CE1-O 2.91Å; F458-N504 WeakPolarHBondContact CZ-O 3.39Å; F458-E505 HydrophobicContact CB-CB 4.4Å; F458-E505 HydrophobicContact CB-CG 3.65Å; F458-E505 HydrophobicContact CD1-CB 4.46Å; F458-E505 HydrophobicContact CD1-CG 4.1Å; F458-E505 HydrophobicContact CG-CB 4.27Å; F458-E505 HydrophobicContact CG-CG 3.93Å; F458-F507 HydrophobicContact CD2-CE1 4.39Å; F458-F507 AromaticContact CE2-CD1 3.78Å; F458-F507 HydrophobicContact CE2-CD1 3.78Å; F458-F507 AromaticContact CE2-CE1 3.45Å; F458-F507 HydrophobicContact CE2-CE1 3.45Å; F458-F507 VanDerWaalsContact CE2-CE1 3.45Å; F458-F507 AromaticContact CZ-CD1 3.71Å; F458-F507 HydrophobicContact CZ-CD1 3.71Å; F458-F507 AromaticContact CZ-CE1 3.9Å; F458-F507 HydrophobicContact CZ-CE1 3.9Å |
| 459 | S | 92.5 | Very high | 88.6 | Confident | 10 Ų | 10 | 32.5 Ų | 32.5 | 7% | 0.07 | 19% | 0.186 | C | C | . | . | trans | -80.3 | 117.3 | 168.9 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | G449 G450 K461 | G449-S459 WeakPolarHBondContact CA-O 3.49Å; G449-S459 VanDerWaalsContact O-CB 3.3Å; G449-S459 WeakPolarHBondContact O-CB 3.25Å; G450-S459 PolarHBondContact O-N 2.71Å; S459-K461 PolarHBondContact OG-N 2.95Å | ||
| 460 | A | 92.3 | Very high | 88.4 | Confident | 6 Ų | 6 | 36.2 Ų | 36.2 | 5% | 0.05 | 21% | 0.205 | C | C | . | . | trans | -105.3 | 32 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F458 L478 R481 | F458-A460 PolarHBondContact O-N 3.29Å; A460-L478 WeakPolarHBondContact O-CB 3.33Å; A460-L478 VanDerWaalsContact O-CG 3.3Å; A460-L478 WeakPolarHBondContact O-CG 3.38Å; A460-L478 PolarHBondContact O-N 3.27Å; A460-R481 HydrophobicContact CB-CG 3.38Å | ||
| 461 | K | 94.5 | Very high | 88.4 | Confident | 54 Ų | 54 | 41.3 Ų | 41.3 | 24% | 0.235 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 155.1 | -178.7 | -69.4 | -175.1 | 174.8 | -171.2 | 0 | 111.7 | S459 Y463 E475 I476 D477 | S459-K461 PolarHBondContact OG-N 2.95Å; K461-Y463 HydrophobicContact CB-CE1 4.46Å; K461-Y463 HydrophobicContact CB-CE2 3.99Å; K461-Y463 HydrophobicContact CD-CE1 4.47Å; K461-E475 IonicContact NZ-OE1 3.49Å; K461-E475 PolarHBondContact NZ-OE1 2.98Å; K461-E475 IonicContact NZ-OE2 3.52Å; K461-I476 CarbonylContact C-O 3.53Å; K461-I476 VanDerWaalsContact CA-O 3.32Å; K461-I476 WeakPolarHBondContact CA-O 3.48Å; K461-D477 WeakPolarHBondContact CE-OD1 3.24Å; K461-D477 VanDerWaalsContact CG-OD1 3.27Å; K461-D477 WeakPolarHBondContact CG-OD1 3.3Å |
| 462 | I | 96.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 127.8 | 167.2 | -45.5 | -179.3 | 0 | 0 | 0 | 107.9 | V446 I448 F464 E475 I476 L478 V516 L518 | V446-I462 HydrophobicContact CG1-CG2 3.28Å; I448-I462 HydrophobicContact CD1-CG1 4.05Å; I448-I462 HydrophobicContact CG1-CG1 4.37Å; I462-F464 HydrophobicContact CB-CE2 3.76Å; I462-F464 HydrophobicContact CB-CZ 4.15Å; I462-F464 HydrophobicContact CG2-CD2 4.14Å; I462-F464 HydrophobicContact CG2-CE1 4.2Å; I462-F464 HydrophobicContact CG2-CE2 3.43Å; I462-F464 VanDerWaalsContact CG2-CE2 3.43Å; I462-F464 HydrophobicContact CG2-CZ 3.47Å; I462-F464 VanDerWaalsContact CG2-CZ 3.47Å; I462-E475 CarbonylContact O-C 3.17Å; I462-E475 WeakPolarHBondContact O-CA 3.14Å; I462-I476 HydrophobicContact CB-CB 4.49Å; I462-I476 PolarHBondContact N-O 2.87Å; I462-I476 PolarHBondContact O-N 2.8Å; I462-L478 HydrophobicContact CD1-CD2 3.63Å; I462-L478 HydrophobicContact CG1-CD2 3.52Å; I462-L478 HydrophobicContact CG1-CG 4.23Å; I462-V516 HydrophobicContact CD1-CG1 3.61Å; I462-L518 HydrophobicContact CD1-CD2 4.34Å |
| 463 | Y | 97.2 | Very high | 88.9 | Confident | 10 Ų | 10 | 46 Ų | 46 | 4% | 0.039 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 133.5 | 173.3 | -54.3 | -86.8 | 0 | 0 | 0 | 109.6 | P428 V429 L431 V446 A447 K461 W472 E475 | P428-Y463 HydrophobicContact CB-CD1 4.26Å; P428-Y463 HydrophobicContact CB-CE1 4.22Å; P428-Y463 HydrophobicContact CG-CD1 3.87Å; P428-Y463 HydrophobicContact CG-CE1 4.34Å; V429-Y463 HydrophobicContact CG2-CE1 4.08Å; V429-Y463 HydrophobicContact CG2-CE2 4.06Å; V429-Y463 VanDerWaalsContact CG2-OH 3.22Å; V429-Y463 WeakPolarHBondContact CG2-OH 3.45Å; L431-Y463 HydrophobicContact CD1-CD2 4.29Å; L431-Y463 HydrophobicContact CD1-CE2 3.81Å; V446-Y463 WeakPolarHBondContact CA-O 3.46Å; A447-Y463 PolarHBondContact N-O 2.83Å; A447-Y463 PolarHBondContact O-N 2.88Å; K461-Y463 HydrophobicContact CB-CE1 4.46Å; K461-Y463 HydrophobicContact CB-CE2 3.99Å; K461-Y463 HydrophobicContact CD-CE1 4.47Å; Y463-W472 VanDerWaalsContact CB-CZ3 3.45Å; Y463-E475 HydrophobicContact CD1-CB 3.98Å; Y463-E475 HydrophobicContact CE1-CB 4.16Å; Y463-E475 WeakPolarHBondContact CE1-OE2 3.37Å |
| 464 | F | 97.1 | Very high | 89.7 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 118.3 | -177.7 | -63.7 | -97.2 | 0 | 0 | 0 | 110.2 | L444 V446 I462 W472 L473 K474 I476 L518 | L444-F464 HydrophobicContact CD1-CD1 3.99Å; V446-F464 HydrophobicContact CG2-CD1 3.87Å; V446-F464 HydrophobicContact CG2-CE1 3.79Å; I462-F464 HydrophobicContact CB-CE2 3.76Å; I462-F464 HydrophobicContact CB-CZ 4.15Å; I462-F464 HydrophobicContact CG2-CD2 4.14Å; I462-F464 HydrophobicContact CG2-CE1 4.2Å; I462-F464 HydrophobicContact CG2-CE2 3.43Å; I462-F464 VanDerWaalsContact CG2-CE2 3.43Å; I462-F464 HydrophobicContact CG2-CZ 3.47Å; I462-F464 VanDerWaalsContact CG2-CZ 3.47Å; F464-W472 CarbonylContact O-C 3.55Å; F464-W472 VanDerWaalsContact O-CA 3.29Å; F464-W472 WeakPolarHBondContact O-CA 3.39Å; F464-L473 PolarHBondContact O-N 2.64Å; F464-K474 HydrophobicContact CB-CG 4.16Å; F464-K474 HydrophobicContact CD2-CD 4.42Å; F464-K474 HydrophobicContact CD2-CG 3.71Å; F464-K474 HydrophobicContact CE2-CG 4.44Å; F464-K474 HydrophobicContact CG-CG 4.13Å; F464-K474 PolarHBondContact N-O 2.97Å; F464-K474 VanDerWaalsContact N-O 3.09Å; F464-I476 HydrophobicContact CE2-CB 4.27Å; F464-I476 HydrophobicContact CE2-CD1 3.59Å; F464-I476 HydrophobicContact CE2-CG1 3.79Å; F464-I476 HydrophobicContact CZ-CD1 3.9Å; F464-L518 HydrophobicContact CE1-CB 4.49Å; F464-L518 VanDerWaalsContact CZ-O 3.3Å; F464-L518 WeakPolarHBondContact CZ-O 3.45Å |
| 465 | F | 96.6 | Very high | 91 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 124 | 172.1 | -175.8 | -95.3 | 0 | 0 | 0 | 109.7 | F386 L424 P425 L444 V445 L467 W472 | F386-F465 HydrophobicContact CE2-CD1 4.12Å; F386-F465 HydrophobicContact CE2-CE1 4.47Å; L424-F465 HydrophobicContact CB-CZ 4.1Å; L424-F465 HydrophobicContact CD1-CE1 3.8Å; L424-F465 HydrophobicContact CD1-CZ 3.98Å; L424-F465 HydrophobicContact CD2-CE1 4.49Å; L424-F465 HydrophobicContact CD2-CZ 4.2Å; L424-F465 HydrophobicContact CG-CZ 4.34Å; P425-F465 HydrophobicContact CB-CE2 4.35Å; P425-F465 HydrophobicContact CG-CE2 4.17Å; L444-F465 CarbonylContact C-O 3.54Å; L444-F465 WeakPolarHBondContact CA-O 3.36Å; V445-F465 HydrophobicContact CB-CB 4.26Å; V445-F465 PolarHBondContact N-O 2.87Å; V445-F465 PolarHBondContact O-N 2.75Å; F465-L467 HydrophobicContact CD1-CD2 4.32Å; F465-L467 HydrophobicContact CE1-CD2 4.05Å; F465-W472 HydrophobicContact CB-CD2 3.95Å; F465-W472 HydrophobicContact CB-CE3 3.76Å; F465-W472 HydrophobicContact CB-CH2 3.89Å; F465-W472 HydrophobicContact CB-CZ2 4.04Å; F465-W472 HydrophobicContact CB-CZ3 3.74Å; F465-W472 AromaticContact CD2-CD1 3.84Å; F465-W472 AromaticContact CD2-CD2 3.83Å; F465-W472 HydrophobicContact CD2-CD2 3.83Å; F465-W472 AromaticContact CD2-CE2 3.6Å; F465-W472 AromaticContact CD2-CG 3.95Å; F465-W472 HydrophobicContact CD2-CG 3.95Å; F465-W472 HydrophobicContact CD2-CZ2 4.09Å; F465-W472 AromaticContact CD2-NE1 3.59Å; F465-W472 HydrophobicContact CG-CD2 4.39Å; F465-W472 HydrophobicContact CG-CZ2 4.35Å |
| 466 | S | 95.2 | Very high | 92.3 | Very high | 10 Ų | 10 | 46.7 Ų | 46.7 | 7% | 0.07 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 123.8 | 174.9 | 167.7 | 0 | 0 | 0 | 0 | 110.4 | S469 L470 F471 | S466-S469 WeakPolarHBondContact CB-OG 3.34Å; S466-S469 PolarHBondContact OG-N 3.07Å; S466-S469 PolarHBondContact OG-OG 3.18Å; S466-L470 VanDerWaalsContact O-CA 3.22Å; S466-L470 WeakPolarHBondContact O-CA 3.4Å; S466-L470 PolarHBondContact O-N 2.78Å; S466-F471 PolarHBondContact N-O 2.71Å; S466-F471 PolarHBondContact O-N 2.97Å |
| 467 | L | 91.8 | Very high | 93.5 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -39.7 | 174.5 | -71.8 | 165.9 | 0 | 0 | 0 | 110.9 | V375 V378 Y438 S443 V445 F465 S469 L470 | V375-L467 HydrophobicContact CB-CD1 3.62Å; V375-L467 HydrophobicContact CG1-CD1 3.97Å; V375-L467 HydrophobicContact CG2-CD1 4.14Å; V375-L467 HydrophobicContact CG2-CD2 4.39Å; V378-L467 HydrophobicContact CG2-CB 3.57Å; V378-L467 HydrophobicContact CG2-CD2 4.39Å; V378-L467 VanDerWaalsContact CG2-O 3.26Å; V378-L467 WeakPolarHBondContact CG2-O 3.28Å; Y438-L467 HydrophobicContact CD2-CD1 4.17Å; Y438-L467 HydrophobicContact CE2-CD1 3.53Å; S443-L467 WeakPolarHBondContact O-CB 3.24Å; S443-L467 PolarHBondContact O-N 3.26Å; V445-L467 HydrophobicContact CG2-CD1 4.34Å; V445-L467 HydrophobicContact CG2-CG 4.47Å; F465-L467 HydrophobicContact CD1-CD2 4.32Å; F465-L467 HydrophobicContact CE1-CD2 4.05Å; L467-S469 VanDerWaalsContact C-N 3.3Å; L467-S469 PolarHBondContact O-N 2.91Å; L467-L470 WeakPolarHBondContact O-CD2 3.33Å; L467-L470 WeakPolarHBondContact O-CG 3.49Å; L467-L470 PolarHBondContact O-N 3.27Å |
| 468 | S | 89.1 | Confident | 94.1 | Very high | 83 Ų | 83 | 42.4 Ų | 42.4 | 58% | 0.58 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -37.3 | -179.1 | -35.6 | 0 | 0 | 0 | 0 | 112.7 | ||
| 469 | S | 91 | Very high | 94.1 | Very high | 48 Ų | 48 | 48 Ų | 48 | 34% | 0.336 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -10.4 | -177.9 | 66.9 | 0 | 0 | 0 | 0 | 114.1 | S466 L467 F471 | S466-S469 WeakPolarHBondContact CB-OG 3.34Å; S466-S469 PolarHBondContact OG-N 3.07Å; S466-S469 PolarHBondContact OG-OG 3.18Å; L467-S469 VanDerWaalsContact C-N 3.3Å; L467-S469 PolarHBondContact O-N 2.91Å; S469-F471 VanDerWaalsContact C-N 3.35Å; S469-F471 VanDerWaalsContact O-CD1 3.29Å; S469-F471 WeakPolarHBondContact O-CD1 3.33Å; S469-F471 PolarHBondContact O-N 2.66Å; S469-F471 WeakPolarHBondContact OG-CD1 3.44Å; S469-F471 VanDerWaalsContact OG-CE1 3.25Å; S469-F471 WeakPolarHBondContact OG-CE1 3.35Å |
| 470 | L | 92.5 | Very high | 94 | Very high | 80 Ų | 80 | 50.6 Ų | 50.6 | 42% | 0.419 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 43.6 | 179.9 | -57.4 | 174 | 0 | 0 | 0 | 113.1 | L424 P425 S466 L467 | L424-L470 HydrophobicContact CD2-CD2 4.01Å; P425-L470 WeakPolarHBondContact CG-O 3.43Å; S466-L470 VanDerWaalsContact O-CA 3.22Å; S466-L470 WeakPolarHBondContact O-CA 3.4Å; S466-L470 PolarHBondContact O-N 2.78Å; L467-L470 WeakPolarHBondContact O-CD2 3.33Å; L467-L470 WeakPolarHBondContact O-CG 3.49Å; L467-L470 PolarHBondContact O-N 3.27Å |
| 471 | F | 94.3 | Very high | 93.8 | Very high | 107 Ų | 107 | 58.2 Ų | 58.2 | 47% | 0.469 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 164.6 | 169.6 | 66.2 | -96.6 | 0 | 0 | 0 | 112.9 | S466 S469 L473 | S466-F471 PolarHBondContact N-O 2.71Å; S466-F471 PolarHBondContact O-N 2.97Å; S469-F471 VanDerWaalsContact C-N 3.35Å; S469-F471 VanDerWaalsContact O-CD1 3.29Å; S469-F471 WeakPolarHBondContact O-CD1 3.33Å; S469-F471 PolarHBondContact O-N 2.66Å; S469-F471 WeakPolarHBondContact OG-CD1 3.44Å; S469-F471 VanDerWaalsContact OG-CE1 3.25Å; S469-F471 WeakPolarHBondContact OG-CE1 3.35Å; F471-L473 HydrophobicContact CD2-CD2 3.8Å; F471-L473 HydrophobicContact CE1-CD2 4.33Å; F471-L473 HydrophobicContact CE2-CD2 3.22Å; F471-L473 HydrophobicContact CE2-CG 4.41Å; F471-L473 HydrophobicContact CZ-CD2 3.51Å; F471-L473 PolarHBondContact O-N 2.71Å |
| 472 | W | 96.1 | Very high | 93.5 | Very high | 38 Ų | 38 | 56.2 Ų | 56.2 | 14% | 0.144 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 107.9 | 173.8 | -66.6 | 92.8 | 0 | 0 | 0 | 109.7 | F386 P425 D426 L427 P428 A447 Y463 F464 F465 | F386-W472 HydrophobicContact CZ-CZ2 4.47Å; P425-W472 PolarHBondContact O-NE1 2.93Å; D426-W472 VanDerWaalsContact C-NE1 3.34Å; D426-W472 PolarHBondContact O-NE1 2.82Å; L427-W472 HydrophobicContact CB-CZ2 4.26Å; L427-W472 HydrophobicContact CD1-CH2 3.74Å; L427-W472 HydrophobicContact CD1-CZ2 3.32Å; L427-W472 HydrophobicContact CD2-CH2 4.46Å; L427-W472 HydrophobicContact CG-CH2 3.66Å; L427-W472 HydrophobicContact CG-CZ2 3.45Å; L427-W472 VanDerWaalsContact CG-CZ2 3.45Å; P428-W472 HydrophobicContact CG-CB 4.11Å; P428-W472 HydrophobicContact CG-CD2 4.25Å; P428-W472 HydrophobicContact CG-CG 4.03Å; A447-W472 HydrophobicContact CB-CH2 4.07Å; A447-W472 HydrophobicContact CB-CZ3 4.17Å; Y463-W472 VanDerWaalsContact CB-CZ3 3.45Å; F464-W472 CarbonylContact O-C 3.55Å; F464-W472 VanDerWaalsContact O-CA 3.29Å; F464-W472 WeakPolarHBondContact O-CA 3.39Å; F465-W472 HydrophobicContact CB-CD2 3.95Å; F465-W472 HydrophobicContact CB-CE3 3.76Å; F465-W472 HydrophobicContact CB-CH2 3.89Å; F465-W472 HydrophobicContact CB-CZ2 4.04Å; F465-W472 HydrophobicContact CB-CZ3 3.74Å; F465-W472 AromaticContact CD2-CD1 3.84Å; F465-W472 AromaticContact CD2-CD2 3.83Å; F465-W472 HydrophobicContact CD2-CD2 3.83Å; F465-W472 AromaticContact CD2-CE2 3.6Å; F465-W472 AromaticContact CD2-CG 3.95Å; F465-W472 HydrophobicContact CD2-CG 3.95Å; F465-W472 HydrophobicContact CD2-CZ2 4.09Å; F465-W472 AromaticContact CD2-NE1 3.59Å; F465-W472 HydrophobicContact CG-CD2 4.39Å; F465-W472 HydrophobicContact CG-CZ2 4.35Å |
| 473 | L | 94.1 | Very high | 93.1 | Very high | 76 Ų | 76 | 56.3 Ų | 56.3 | 40% | 0.398 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | -48.3 | -171.3 | -64.8 | -173.7 | 0 | 0 | 0 | 112.7 | L444 F464 F471 | L444-L473 HydrophobicContact CD2-CD1 3.67Å; F464-L473 PolarHBondContact O-N 2.64Å; F471-L473 HydrophobicContact CD2-CD2 3.8Å; F471-L473 HydrophobicContact CE1-CD2 4.33Å; F471-L473 HydrophobicContact CE2-CD2 3.22Å; F471-L473 HydrophobicContact CE2-CG 4.41Å; F471-L473 HydrophobicContact CZ-CD2 3.51Å; F471-L473 PolarHBondContact O-N 2.71Å |
| 474 | K | 93.4 | Very high | 93 | Very high | 100 Ų | 100 | 56.3 Ų | 56.3 | 44% | 0.435 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 165.1 | -170.6 | 64.3 | -177.2 | 178.5 | -177.8 | 0 | 111.6 | F464 I476 | F464-K474 HydrophobicContact CB-CG 4.16Å; F464-K474 HydrophobicContact CD2-CD 4.42Å; F464-K474 HydrophobicContact CD2-CG 3.71Å; F464-K474 HydrophobicContact CE2-CG 4.44Å; F464-K474 HydrophobicContact CG-CG 4.13Å; F464-K474 PolarHBondContact N-O 2.97Å; F464-K474 VanDerWaalsContact N-O 3.09Å; K474-I476 HydrophobicContact CD-CD1 4.41Å |
| 475 | E | 95.2 | Very high | 92.9 | Very high | 96 Ų | 96 | 56 Ų | 56 | 45% | 0.449 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 146.8 | 165.5 | 58 | 176.6 | -145.9 | 0 | 0 | 110.2 | K461 I462 Y463 | K461-E475 IonicContact NZ-OE1 3.49Å; K461-E475 PolarHBondContact NZ-OE1 2.98Å; K461-E475 IonicContact NZ-OE2 3.52Å; I462-E475 CarbonylContact O-C 3.17Å; I462-E475 WeakPolarHBondContact O-CA 3.14Å; Y463-E475 HydrophobicContact CD1-CB 3.98Å; Y463-E475 HydrophobicContact CE1-CB 4.16Å; Y463-E475 WeakPolarHBondContact CE1-OE2 3.37Å |
| 476 | I | 95.8 | Very high | 92.7 | Very high | 30 Ų | 30 | 56.6 Ų | 56.6 | 15% | 0.154 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 130.7 | 177 | -58.7 | 179 | 0 | 0 | 0 | 108.1 | K461 I462 F464 K474 | K461-I476 CarbonylContact C-O 3.53Å; K461-I476 VanDerWaalsContact CA-O 3.32Å; K461-I476 WeakPolarHBondContact CA-O 3.48Å; I462-I476 HydrophobicContact CB-CB 4.49Å; I462-I476 PolarHBondContact N-O 2.87Å; I462-I476 PolarHBondContact O-N 2.8Å; F464-I476 HydrophobicContact CE2-CB 4.27Å; F464-I476 HydrophobicContact CE2-CD1 3.59Å; F464-I476 HydrophobicContact CE2-CG1 3.79Å; F464-I476 HydrophobicContact CZ-CD1 3.9Å; K474-I476 HydrophobicContact CD-CD1 4.41Å |
| 477 | D | 95.3 | Very high | 92.7 | Very high | 106 Ų | 106 | 56.2 Ų | 56.2 | 57% | 0.567 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 141.4 | 171.3 | -72.5 | -60.5 | 0 | 0 | 0 | 110.9 | K461 | K461-D477 WeakPolarHBondContact CE-OD1 3.24Å; K461-D477 VanDerWaalsContact CG-OD1 3.27Å; K461-D477 WeakPolarHBondContact CG-OD1 3.3Å |
| 478 | L | 93.7 | Very high | 92.9 | Very high | 10 Ų | 10 | 56.5 Ų | 56.5 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | trans | -77.9 | 133.3 | 175.1 | -64.2 | 172.7 | 0 | 0 | 0 | 110.7 | I448 A460 I462 P480 R481 V482 V516 G521 T523 | I448-L478 HydrophobicContact CD1-CD1 4.13Å; I448-L478 HydrophobicContact CD1-CD2 4.13Å; I448-L478 HydrophobicContact CG1-CD1 4.31Å; A460-L478 WeakPolarHBondContact O-CB 3.33Å; A460-L478 VanDerWaalsContact O-CG 3.3Å; A460-L478 WeakPolarHBondContact O-CG 3.38Å; A460-L478 PolarHBondContact O-N 3.27Å; I462-L478 HydrophobicContact CD1-CD2 3.63Å; I462-L478 HydrophobicContact CG1-CD2 3.52Å; I462-L478 HydrophobicContact CG1-CG 4.23Å; L478-P480 CarbonylContact C-O 3.54Å; L478-P480 CarbonylContact O-C 3.46Å; L478-R481 WeakPolarHBondContact O-CA 3.44Å; L478-R481 PolarHBondContact O-N 3.05Å; L478-V482 HydrophobicContact CB-CG2 4.17Å; L478-V482 HydrophobicContact CD1-CG2 3.84Å; L478-V516 HydrophobicContact CD2-CG1 3.62Å; L478-V516 HydrophobicContact CD2-CG2 4.42Å; L478-G521 WeakPolarHBondContact CA-O 3.34Å; L478-T523 HydrophobicContact CB-CG2 4.1Å; L478-T523 HydrophobicContact CD2-CG2 3.83Å; L478-T523 HydrophobicContact CG-CG2 4.47Å | ||
| 479 | E | 91.9 | Very high | 93.2 | Very high | 133 Ų | 133 | 53.3 Ų | 53.3 | 62% | 0.621 | 26% | 0.263 | S | S | * | . | B | Isolated β-bridge | trans | -130.5 | 116.7 | -179.7 | -167.7 | 177.4 | -177.2 | 0 | 0 | 112 | G521 K522 T523 | E479-G521 PolarHBondContact N-O 3.49Å; E479-K522 CarbonylContact O-C 3.11Å; E479-K522 VanDerWaalsContact O-CA 3.22Å; E479-K522 WeakPolarHBondContact O-CA 3.11Å; E479-T523 PolarHBondContact O-N 2.79Å |
| 480 | P | 89.7 | Confident | 93.4 | Very high | 63 Ų | 63 | 52.4 Ų | 52.4 | 41% | 0.409 | 25% | 0.253 | S | S | . | . | S | Bend | cis | -61 | 162.5 | -8.1 | 28.3 | -36.6 | 0 | 0 | 0 | 111.9 | L478 V482 T523 | L478-P480 CarbonylContact C-O 3.54Å; L478-P480 CarbonylContact O-C 3.46Å; P480-V482 HydrophobicContact CG-CG1 4.43Å; P480-V482 PolarHBondContact O-N 3.32Å; P480-T523 WeakPolarHBondContact CD-O 3.38Å; P480-T523 VanDerWaalsContact CD-OG1 3.3Å; P480-T523 WeakPolarHBondContact CD-OG1 3.44Å; P480-T523 PolarHBondContact O-OG1 3.09Å |
| 481 | R | 89.1 | Confident | 93.3 | Very high | 166 Ų | 166 | 50.7 Ų | 50.7 | 63% | 0.626 | 25% | 0.251 | S | S | * | . | trans | -67.5 | 104.2 | -178.4 | -164.4 | 177.8 | 165.8 | 147.2 | 1.2 | 110.4 | A460 L478 E505 | A460-R481 HydrophobicContact CB-CG 3.38Å; L478-R481 WeakPolarHBondContact O-CA 3.44Å; L478-R481 PolarHBondContact O-N 3.05Å; R481-E505 WeakPolarHBondContact CD-OE2 3.4Å; R481-E505 IonicContact CZ-OE1 3.52Å; R481-E505 IonicContact CZ-OE2 3.01Å; R481-E505 VanDerWaalsContact NE-CD 3.3Å; R481-E505 IonicContact NE-OE1 2.69Å; R481-E505 PolarHBondContact NE-OE1 3.05Å; R481-E505 IonicContact NE-OE2 3.1Å; R481-E505 PolarHBondContact NE-OE2 3.26Å; R481-E505 IonicContact NH2-OE1 3.68Å; R481-E505 PolarHBondContact NH2-OE1 3.12Å; R481-E505 IonicContact NH2-OE2 2.67Å | ||
| 482 | V | 87.4 | Confident | 93 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 8% | 0.079 | 24% | 0.241 | C | C | . | . | trans | -114.6 | 36.6 | -177.7 | -66.2 | 0 | 0 | 0 | 0 | 113.1 | L478 P480 R484 T514 T523 | L478-V482 HydrophobicContact CB-CG2 4.17Å; L478-V482 HydrophobicContact CD1-CG2 3.84Å; P480-V482 HydrophobicContact CG-CG1 4.43Å; P480-V482 PolarHBondContact O-N 3.32Å; V482-R484 PolarHBondContact O-N 2.59Å; V482-R484 PolarHBondContact O-NE 3.19Å; V482-T514 HydrophobicContact CG2-CG2 4.19Å; V482-T523 WeakPolarHBondContact CG1-OG1 3.46Å; V482-T523 HydrophobicContact CG2-CG2 3.59Å | ||
| 483 | G | 89.6 | Confident | 92.6 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | trans | -52.3 | 126.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N504 E505 | G483-N504 WeakPolarHBondContact O-CA 3.1Å; G483-E505 VanDerWaalsContact O-CG 3.28Å; G483-E505 WeakPolarHBondContact O-CG 3.41Å; G483-E505 PolarHBondContact O-N 2.79Å | ||
| 484 | R | 93.3 | Very high | 92.3 | Very high | 11 Ų | 11 | 51.3 Ų | 51.3 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 161.7 | -177.8 | 62.1 | -178.3 | 75.3 | -166.4 | 6 | 112.1 | G449 G450 V482 F487 G501 V503 T512 T514 | G449-R484 WeakPolarHBondContact CA-O 3.41Å; G450-R484 PolarHBondContact N-O 3.36Å; V482-R484 PolarHBondContact O-N 2.59Å; V482-R484 PolarHBondContact O-NE 3.19Å; R484-F487 HydrophobicContact CB-CD1 4.35Å; R484-F487 HydrophobicContact CG-CB 4.47Å; R484-F487 HydrophobicContact CG-CD1 3.6Å; R484-F487 HydrophobicContact CG-CE1 3.97Å; R484-F487 HydrophobicContact CG-CG 4.04Å; R484-F487 WeakPolarHBondContact O-CE1 3.2Å; R484-G501 PolarHBondContact NH1-O 3.38Å; R484-V503 CarbonylContact C-O 3.25Å; R484-V503 WeakPolarHBondContact CA-O 3.27Å; R484-V503 WeakPolarHBondContact CB-O 3.16Å; R484-T512 PolarHBondContact NH1-OG1 3.15Å; R484-T512 VanDerWaalsContact NH1-OG1 3.08Å; R484-T514 PolarHBondContact NH2-OG1 3.25Å |
| 485 | Y | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 167.5 | 172.2 | 77 | -77.6 | 0 | 0 | 0 | 110.7 | Y188 E189 H192 L451 F458 F487 G502 V503 | Y188-Y485 PolarHBondContact O-OH 3.23Å; E189-Y485 WeakPolarHBondContact CA-OH 3.36Å; E189-Y485 HydrophobicContact CB-CE2 4.47Å; E189-Y485 HydrophobicContact CG-CD2 4.41Å; E189-Y485 HydrophobicContact CG-CE2 3.7Å; E189-Y485 PolarHBondContact N-OH 3.24Å; E189-Y485 VanDerWaalsContact N-OH 3.12Å; H192-Y485 AromaticContact CE1-CE1 3.97Å; H192-Y485 AromaticContact ND1-CE1 3.27Å; H192-Y485 VanDerWaalsContact ND1-CE1 3.27Å; H192-Y485 WeakPolarHBondContact ND1-CE1 3.2Å; H192-Y485 AromaticContact ND1-CZ 3.4Å; H192-Y485 PolarHBondContact ND1-OH 2.88Å; L451-Y485 HydrophobicContact CD1-CD1 3.75Å; L451-Y485 HydrophobicContact CD1-CD2 3.64Å; L451-Y485 HydrophobicContact CD1-CE1 3.71Å; L451-Y485 HydrophobicContact CD1-CE2 3.58Å; L451-Y485 HydrophobicContact CD1-CG 3.71Å; L451-Y485 HydrophobicContact CD2-CD1 3.73Å; L451-Y485 HydrophobicContact CD2-CE1 4.04Å; L451-Y485 HydrophobicContact CD2-CG 4.2Å; L451-Y485 HydrophobicContact CG-CD1 3.6Å; L451-Y485 HydrophobicContact CG-CD2 3.99Å; L451-Y485 HydrophobicContact CG-CE1 4.04Å; L451-Y485 HydrophobicContact CG-CE2 4.37Å; L451-Y485 HydrophobicContact CG-CG 3.56Å; F458-Y485 AromaticContact CD1-CD1 3.96Å; F458-Y485 HydrophobicContact CD1-CD1 3.96Å; F458-Y485 AromaticContact CE1-CD1 3.31Å; F458-Y485 HydrophobicContact CE1-CD1 3.31Å; F458-Y485 AromaticContact CE1-CE1 3.49Å; F458-Y485 HydrophobicContact CE1-CE1 3.49Å; F458-Y485 VanDerWaalsContact CE1-CE1 3.49Å; F458-Y485 HydrophobicContact CE2-CE1 4.44Å; F458-Y485 AromaticContact CZ-CD1 3.74Å; F458-Y485 HydrophobicContact CZ-CD1 3.74Å; F458-Y485 AromaticContact CZ-CE1 3.46Å; F458-Y485 HydrophobicContact CZ-CE1 3.46Å; F458-Y485 VanDerWaalsContact CZ-CE1 3.46Å; Y485-F487 PolarHBondContact O-N 2.85Å; Y485-G502 WeakPolarHBondContact O-CA 3.44Å; Y485-V503 HydrophobicContact CD1-CB 4.2Å; Y485-V503 HydrophobicContact CE1-CB 3.62Å; Y485-V503 HydrophobicContact CE1-CG1 3.84Å; Y485-V503 HydrophobicContact CE1-CG2 4.49Å; Y485-V503 PolarHBondContact N-O 2.96Å; Y485-V503 PolarHBondContact O-N 3.02Å |
| 486 | G | 93 | Very high | 92.1 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 13% | 0.134 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 68 | 16.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S433 | S433-G486 PolarHBondContact O-N 3.07Š|
| 487 | F | 95.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.009 | 24% | 0.239 | C | C | . | . | trans | -90.6 | 171.2 | 173.3 | 66.2 | -81.3 | 0 | 0 | 0 | 110.2 | Q435 I448 R484 Y485 L499 V500 G501 | Q435-F487 HydrophobicContact CB-CE2 3.78Å; Q435-F487 HydrophobicContact CB-CZ 4.02Å; Q435-F487 HydrophobicContact CG-CD2 3.83Å; Q435-F487 HydrophobicContact CG-CE1 4.46Å; Q435-F487 HydrophobicContact CG-CE2 3.42Å; Q435-F487 VanDerWaalsContact CG-CE2 3.42Å; Q435-F487 HydrophobicContact CG-CG 4.5Å; Q435-F487 HydrophobicContact CG-CZ 3.79Å; Q435-F487 PolarHBondContact NE2-O 3.24Å; I448-F487 HydrophobicContact CG2-CE2 4.2Å; I448-F487 HydrophobicContact CG2-CZ 4.08Å; I448-F487 WeakPolarHBondContact O-CZ 3.23Å; R484-F487 HydrophobicContact CB-CD1 4.35Å; R484-F487 HydrophobicContact CG-CB 4.47Å; R484-F487 HydrophobicContact CG-CD1 3.6Å; R484-F487 HydrophobicContact CG-CE1 3.97Å; R484-F487 HydrophobicContact CG-CG 4.04Å; R484-F487 WeakPolarHBondContact O-CE1 3.2Å; Y485-F487 PolarHBondContact O-N 2.85Å; F487-L499 HydrophobicContact CD2-CB 4.16Å; F487-L499 HydrophobicContact CD2-CD2 4.16Å; F487-L499 HydrophobicContact CE2-CD2 3.75Å; F487-V500 WeakPolarHBondContact CA-O 3.39Å; F487-V500 VanDerWaalsContact CB-O 3.24Å; F487-V500 WeakPolarHBondContact CB-O 3.42Å; F487-G501 VanDerWaalsContact CB-O 3.32Å; F487-G501 WeakPolarHBondContact CB-O 3.47Å | ||
| 488 | T | 96.4 | Very high | 92 | Very high | 11 Ų | 11 | 41 Ų | 41 | 7% | 0.067 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 151.1 | 167.1 | 46.7 | 0 | 0 | 0 | 0 | 109.8 | V500 H549 S551 | T488-V500 PolarHBondContact N-O 2.94Å; T488-V500 PolarHBondContact O-N 3.25Å; T488-V500 WeakPolarHBondContact OG1-CB 3.37Å; T488-H549 PolarHBondContact OG1-NE2 3.33Å; T488-S551 WeakPolarHBondContact CB-OG 3.4Å; T488-S551 PolarHBondContact OG1-OG 3.17Å |
| 489 | S | 95.6 | Very high | 92.2 | Very high | 15 Ų | 15 | 40.6 Ų | 40.6 | 11% | 0.105 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 147.4 | 178.5 | 68.3 | 0 | 0 | 0 | 0 | 112.8 | Q435 S437 L498 | Q435-S489 WeakPolarHBondContact CB-OG 3.33Å; S437-S489 PolarHBondContact OG-OG 3.19Å; S489-L498 CarbonylContact C-O 3.56Å; S489-L498 WeakPolarHBondContact CA-O 3.29Å |
| 490 | H | 93.7 | Very high | 92.3 | Very high | 29 Ų | 29 | 34.2 Ų | 34.2 | 13% | 0.134 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 129.5 | 179 | -56.1 | -79.8 | 0 | 0 | 0 | 109.9 | L492 L497 L498 S551 L553 | H490-L492 PolarHBondContact O-N 3.19Å; H490-L497 WeakPolarHBondContact O-CD1 3.38Å; H490-L498 PolarHBondContact N-O 3.13Å; H490-L498 PolarHBondContact O-N 3.06Å; H490-S551 PolarHBondContact CE1-O 3.48Å; H490-S551 PolarHBondContact NE2-OG 3.35Å; H490-L553 HydrophobicContact CB-CB 4.38Å; H490-L553 HydrophobicContact CB-CD2 4.28Å |
| 491 | A | 90.7 | Very high | 92.5 | Very high | 45 Ų | 45 | 31.2 Ų | 31.2 | 37% | 0.372 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 116.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | L497 | A491-L497 HydrophobicContact CB-CD1 4.38Å |
| 492 | L | 88.4 | Confident | 92.7 | Very high | 48 Ų | 48 | 23.3 Ų | 23.3 | 25% | 0.251 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -87.2 | -38.6 | 176.3 | -64.6 | -175.4 | 0 | 0 | 0 | 110.8 | H490 V496 L498 L515 L553 L587 | H490-L492 PolarHBondContact O-N 3.19Å; L492-V496 HydrophobicContact CD1-CG1 4.47Å; L492-V496 PolarHBondContact N-O 3.44Å; L492-L498 HydrophobicContact CD1-CB 3.86Å; L492-L498 HydrophobicContact CD1-CD2 4.36Å; L492-L498 HydrophobicContact CD2-CB 4.22Å; L492-L498 HydrophobicContact CD2-CD2 4.19Å; L492-L498 HydrophobicContact CG-CB 3.82Å; L492-L515 HydrophobicContact CD1-CD2 3.71Å; L492-L553 HydrophobicContact CD2-CD1 4.12Å; L492-L553 HydrophobicContact CD2-CD2 3.93Å; L492-L587 HydrophobicContact CD2-CD1 3.96Å |
| 493 | T | 88 | Confident | 92.9 | Very high | 77 Ų | 77 | 22.7 Ų | 22.7 | 47% | 0.472 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -140.5 | 179.2 | 174.1 | 72.3 | 0 | 0 | 0 | 0 | 108.8 | E495 V496 | T493-E495 PolarHBondContact O-N 3.11Å; T493-E495 PolarHBondContact OG1-N 2.99Å; T493-V496 PolarHBondContact N-O 3.36Å; T493-V496 WeakPolarHBondContact OG1-CB 3.35Å; T493-V496 WeakPolarHBondContact OG1-CG2 3.41Å; T493-V496 PolarHBondContact OG1-N 3.32Å; T493-V496 VanDerWaalsContact OG1-N 3.1Å |
| 494 | E | 88.2 | Confident | 92.9 | Very high | 108 Ų | 108 | 23.5 Ų | 23.5 | 51% | 0.505 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -65.1 | -18.4 | 174.5 | -58.2 | -179.1 | 160.3 | 0 | 0 | 113.1 | V439 N441 | V439-E494 WeakPolarHBondContact CG1-O 3.44Å; N441-E494 HydrophobicContact CB-CG 4.45Å; N441-E494 WeakPolarHBondContact CB-OE2 3.2Å; N441-E494 VanDerWaalsContact CG-OE2 3.26Å; N441-E494 WeakPolarHBondContact ND2-CB 3.42Å; N441-E494 PolarHBondContact ND2-OE2 3.32Å |
| 495 | E | 91.6 | Very high | 92.6 | Very high | 103 Ų | 103 | 25.9 Ų | 25.9 | 48% | 0.481 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -112.3 | -11.7 | -178.2 | -60.7 | -168.4 | 159.9 | 0 | 0 | 113.5 | T493 N517 L518 | T493-E495 PolarHBondContact O-N 3.11Å; T493-E495 PolarHBondContact OG1-N 2.99Å; E495-N517 WeakPolarHBondContact O-CA 3.37Å; E495-L518 WeakPolarHBondContact O-CB 3.29Å; E495-L518 WeakPolarHBondContact O-CG 3.33Å; E495-L518 PolarHBondContact O-N 3.14Å |
| 496 | V | 92.9 | Very high | 91.9 | Very high | 11 Ų | 11 | 30.1 Ų | 30.1 | 7% | 0.067 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 122.7 | -168.8 | -178 | 0 | 0 | 0 | 0 | 111.8 | L492 T493 L515 V516 F592 | L492-V496 HydrophobicContact CD1-CG1 4.47Å; L492-V496 PolarHBondContact N-O 3.44Å; T493-V496 PolarHBondContact N-O 3.36Å; T493-V496 WeakPolarHBondContact OG1-CB 3.35Å; T493-V496 WeakPolarHBondContact OG1-CG2 3.41Å; T493-V496 PolarHBondContact OG1-N 3.32Å; T493-V496 VanDerWaalsContact OG1-N 3.1Å; V496-L515 HydrophobicContact CG1-CB 4.34Å; V496-L515 HydrophobicContact CG1-CD2 3.88Å; V496-V516 WeakPolarHBondContact CA-O 3.36Å; V496-F592 HydrophobicContact CG1-CD2 4.27Å; V496-F592 HydrophobicContact CG1-CE2 4.1Å; V496-F592 HydrophobicContact CG2-CD2 3.76Å; V496-F592 HydrophobicContact CG2-CE2 4.23Å |
| 497 | L | 94.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 132.8 | 172.7 | -168.9 | 73.6 | 0 | 0 | 0 | 110.5 | S437 I448 H490 A491 L499 L515 V516 L518 | S437-L497 WeakPolarHBondContact OG-CD1 2.97Å; I448-L497 HydrophobicContact CD1-CD2 4.16Å; I448-L497 HydrophobicContact CG2-CD2 3.72Å; H490-L497 WeakPolarHBondContact O-CD1 3.38Å; A491-L497 HydrophobicContact CB-CD1 4.38Å; L497-L499 HydrophobicContact CD2-CD2 3.76Å; L497-L499 HydrophobicContact CG-CD2 4.07Å; L497-L515 CarbonylContact O-C 3.58Å; L497-L515 WeakPolarHBondContact O-CA 3.49Å; L497-V516 HydrophobicContact CB-CB 4.34Å; L497-V516 PolarHBondContact N-O 3.11Å; L497-V516 PolarHBondContact O-N 2.88Å; L497-L518 HydrophobicContact CB-CD2 4.07Å; L497-L518 HydrophobicContact CB-CG 4.48Å |
| 498 | L | 94.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 127.1 | 172.5 | 175.8 | 64.7 | 0 | 0 | 0 | 110.1 | S489 H490 L492 V500 L513 T514 L515 L562 L587 | S489-L498 CarbonylContact C-O 3.56Å; S489-L498 WeakPolarHBondContact CA-O 3.29Å; H490-L498 PolarHBondContact N-O 3.13Å; H490-L498 PolarHBondContact O-N 3.06Å; L492-L498 HydrophobicContact CD1-CB 3.86Å; L492-L498 HydrophobicContact CD1-CD2 4.36Å; L492-L498 HydrophobicContact CD2-CB 4.22Å; L492-L498 HydrophobicContact CD2-CD2 4.19Å; L492-L498 HydrophobicContact CG-CB 3.82Å; L498-V500 HydrophobicContact CD2-CG2 4.27Å; L498-V500 HydrophobicContact CG-CG2 4.13Å; L498-L513 HydrophobicContact CD1-CB 4.05Å; L498-T514 CarbonylContact C-O 3.56Å; L498-L515 HydrophobicContact CB-CD2 4.39Å; L498-L515 HydrophobicContact CD1-CD2 3.94Å; L498-L562 HydrophobicContact CD2-CD2 4.11Å; L498-L587 HydrophobicContact CD2-CD1 4.35Å; L498-L587 HydrophobicContact CD2-CD2 3.81Å |
| 499 | L | 95.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 131.3 | 172.1 | -42.8 | -176.9 | 0 | 0 | 0 | 109.6 | I448 F487 L497 L513 T514 V516 | I448-L499 HydrophobicContact CD1-CD1 4.2Å; I448-L499 HydrophobicContact CD1-CD2 4.17Å; I448-L499 HydrophobicContact CG2-CD2 4.37Å; F487-L499 HydrophobicContact CD2-CB 4.16Å; F487-L499 HydrophobicContact CD2-CD2 4.16Å; F487-L499 HydrophobicContact CE2-CD2 3.75Å; L497-L499 HydrophobicContact CD2-CD2 3.76Å; L497-L499 HydrophobicContact CG-CD2 4.07Å; L499-L513 WeakPolarHBondContact O-CA 3.28Å; L499-T514 HydrophobicContact CD1-CG2 4.49Å; L499-T514 PolarHBondContact N-O 3.43Å; L499-T514 PolarHBondContact O-N 3.49Å; L499-V516 HydrophobicContact CD1-CG2 3.73Å; L499-V516 HydrophobicContact CD2-CG2 4.39Å; L499-V516 HydrophobicContact CG-CG2 3.88Å |
| 500 | V | 95.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 119.2 | -177.7 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | F487 T488 L498 L513 F546 H549 L562 V564 | F487-V500 WeakPolarHBondContact CA-O 3.39Å; F487-V500 VanDerWaalsContact CB-O 3.24Å; F487-V500 WeakPolarHBondContact CB-O 3.42Å; T488-V500 PolarHBondContact N-O 2.94Å; T488-V500 PolarHBondContact O-N 3.25Å; T488-V500 WeakPolarHBondContact OG1-CB 3.37Å; L498-V500 HydrophobicContact CD2-CG2 4.27Å; L498-V500 HydrophobicContact CG-CG2 4.13Å; V500-L513 HydrophobicContact CB-CD2 4.12Å; V500-L513 HydrophobicContact CG1-CD2 3.8Å; V500-L513 HydrophobicContact CG2-CD2 3.84Å; V500-F546 HydrophobicContact CG1-CD1 4.36Å; V500-F546 HydrophobicContact CG1-CE1 4.42Å; V500-H549 PolarHBondContact O-CE1 3.49Å; V500-H549 PolarHBondContact O-NE2 2.9Å; V500-H549 VanDerWaalsContact O-NE2 3.14Å; V500-L562 HydrophobicContact CG1-CD2 4.45Å; V500-L562 HydrophobicContact CG2-CD1 4.28Å; V500-L562 HydrophobicContact CG2-CD2 3.8Å; V500-V564 HydrophobicContact CG1-CG1 4.26Å; V500-V564 HydrophobicContact CG1-CG2 3.97Å |
| 501 | G | 94.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | 70.8 | -152.7 | 169 | 0 | 0 | 0 | 0 | 0 | 115.8 | R484 F487 C510 T512 | R484-G501 PolarHBondContact NH1-O 3.38Å; F487-G501 VanDerWaalsContact CB-O 3.32Å; F487-G501 WeakPolarHBondContact CB-O 3.47Å; G501-C510 VanDerWaalsContact CA-O 3.23Å; G501-C510 WeakPolarHBondContact CA-O 3.41Å; G501-C510 WeakPolarHBondContact O-CB 3.35Å; G501-T512 PolarHBondContact N-O 3.46Å | ||
| 502 | G | 93 | Very high | 89.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | 97 | -163.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y485 C510 F546 | Y485-G502 WeakPolarHBondContact O-CA 3.44Å; G502-C510 PolarHBondContact O-N 3.43Å; G502-F546 PolarHBondContact N-O 2.88Å | ||
| 503 | V | 90.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 134.2 | 175.4 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | E189 H192 F458 R484 Y485 E508 I547 | E189-V503 HydrophobicContact CB-CG2 3.86Å; E189-V503 HydrophobicContact CG-CG2 4.06Å; H192-V503 HydrophobicContact CB-CG1 4.02Å; F458-V503 WeakPolarHBondContact CE1-O 3.03Å; R484-V503 CarbonylContact C-O 3.25Å; R484-V503 WeakPolarHBondContact CA-O 3.27Å; R484-V503 WeakPolarHBondContact CB-O 3.16Å; Y485-V503 HydrophobicContact CD1-CB 4.2Å; Y485-V503 HydrophobicContact CE1-CB 3.62Å; Y485-V503 HydrophobicContact CE1-CG1 3.84Å; Y485-V503 HydrophobicContact CE1-CG2 4.49Å; Y485-V503 PolarHBondContact N-O 2.96Å; Y485-V503 PolarHBondContact O-N 3.02Å; V503-E508 WeakPolarHBondContact CA-O 2.93Å; V503-I547 HydrophobicContact CG2-CD1 3.82Å; V503-I547 HydrophobicContact CG2-CG1 4.02Å |
| 504 | N | 90.8 | Very high | 90.1 | Very high | 18 Ų | 18 | 32.2 Ų | 32.2 | 10% | 0.096 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 176 | -178.6 | 65.8 | 20.1 | 0 | 0 | 0 | 113.3 | F458 G483 R506 F507 E508 | F458-N504 WeakPolarHBondContact CE1-O 2.91Å; F458-N504 WeakPolarHBondContact CZ-O 3.39Å; G483-N504 WeakPolarHBondContact O-CA 3.1Å; N504-R506 PolarHBondContact O-N 3.18Å; N504-R506 VanDerWaalsContact O-N 3.1Å; N504-R506 WeakPolarHBondContact OD1-CA 2.99Å; N504-R506 WeakPolarHBondContact OD1-CB 3.14Å; N504-R506 PolarHBondContact OD1-N 3.3Å; N504-F507 WeakPolarHBondContact O-CA 3.42Å; N504-F507 PolarHBondContact O-N 3.32Å; N504-F507 PolarHBondContact OD1-N 2.95Å; N504-E508 PolarHBondContact N-O 3.17Å; N504-E508 PolarHBondContact OD1-N 3.28Å; N504-E508 PolarHBondContact OD1-O 3.46Å |
| 505 | E | 86.5 | Confident | 90.4 | Very high | 61 Ų | 61 | 27.1 Ų | 27.1 | 29% | 0.285 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -15.6 | 177.9 | -44.6 | -167.6 | 129.1 | 0 | 0 | 114.2 | F458 R481 G483 | F458-E505 HydrophobicContact CB-CB 4.4Å; F458-E505 HydrophobicContact CB-CG 3.65Å; F458-E505 HydrophobicContact CD1-CB 4.46Å; F458-E505 HydrophobicContact CD1-CG 4.1Å; F458-E505 HydrophobicContact CG-CB 4.27Å; F458-E505 HydrophobicContact CG-CG 3.93Å; R481-E505 WeakPolarHBondContact CD-OE2 3.4Å; R481-E505 IonicContact CZ-OE1 3.52Å; R481-E505 IonicContact CZ-OE2 3.01Å; R481-E505 VanDerWaalsContact NE-CD 3.3Å; R481-E505 IonicContact NE-OE1 2.69Å; R481-E505 PolarHBondContact NE-OE1 3.05Å; R481-E505 IonicContact NE-OE2 3.1Å; R481-E505 PolarHBondContact NE-OE2 3.26Å; R481-E505 IonicContact NH2-OE1 3.68Å; R481-E505 PolarHBondContact NH2-OE1 3.12Å; R481-E505 IonicContact NH2-OE2 2.67Å; G483-E505 VanDerWaalsContact O-CG 3.28Å; G483-E505 WeakPolarHBondContact O-CG 3.41Å; G483-E505 PolarHBondContact O-N 2.79Å |
| 506 | R | 80.3 | Confident | 90.5 | Very high | 89 Ų | 89 | 22.2 Ų | 22.2 | 34% | 0.336 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 2.8 | 173.4 | -59.3 | 167.8 | -177.4 | -108.7 | -11.3 | 112.2 | V224 P226 N504 E508 | V224-R506 PolarHBondContact O-NH1 3.36Å; V224-R506 VanDerWaalsContact O-NH1 3.15Å; V224-R506 PolarHBondContact O-NH2 3.04Å; P226-R506 VanDerWaalsContact CA-NH2 3.27Å; P226-R506 VanDerWaalsContact CG-CZ 3.4Å; N504-R506 PolarHBondContact O-N 3.18Å; N504-R506 VanDerWaalsContact O-N 3.1Å; N504-R506 WeakPolarHBondContact OD1-CA 2.99Å; N504-R506 WeakPolarHBondContact OD1-CB 3.14Å; N504-R506 PolarHBondContact OD1-N 3.3Å; R506-E508 HydrophobicContact CB-CG 3.99Å; R506-E508 PolarHBondContact O-N 3.15Å |
| 507 | F | 82 | Confident | 90.6 | Very high | 54 Ų | 54 | 22.5 Ų | 22.5 | 24% | 0.237 | 10% | 0.104 | C | C | . | . | S | Bend | trans | 61.9 | 25.5 | -174.5 | -51.2 | -24.8 | 0 | 0 | 0 | 113.3 | H192 F193 C195 A196 F458 N504 | H192-F507 HydrophobicContact CB-CB 3.86Å; H192-F507 HydrophobicContact CB-CD1 3.94Å; H192-F507 HydrophobicContact CB-CG 3.94Å; H192-F507 AromaticContact CG-CD1 3.92Å; H192-F507 VanDerWaalsContact O-CB 3.27Å; H192-F507 WeakPolarHBondContact O-CB 3.38Å; F193-F507 WeakPolarHBondContact CA-O 3.32Å; C195-F507 HydrophobicContact CB-CD2 4.02Å; C195-F507 HydrophobicContact CB-CE2 4.41Å; A196-F507 HydrophobicContact CB-CB 3.88Å; A196-F507 WeakPolarHBondContact CB-O 3.47Å; F458-F507 HydrophobicContact CD2-CE1 4.39Å; F458-F507 AromaticContact CE2-CD1 3.78Å; F458-F507 HydrophobicContact CE2-CD1 3.78Å; F458-F507 AromaticContact CE2-CE1 3.45Å; F458-F507 HydrophobicContact CE2-CE1 3.45Å; F458-F507 VanDerWaalsContact CE2-CE1 3.45Å; F458-F507 AromaticContact CZ-CD1 3.71Å; F458-F507 HydrophobicContact CZ-CD1 3.71Å; F458-F507 AromaticContact CZ-CE1 3.9Å; F458-F507 HydrophobicContact CZ-CE1 3.9Å; N504-F507 WeakPolarHBondContact O-CA 3.42Å; N504-F507 PolarHBondContact O-N 3.32Å; N504-F507 PolarHBondContact OD1-N 2.95Å |
| 508 | E | 82.4 | Confident | 90.6 | Very high | 94 Ų | 94 | 23 Ų | 23 | 44% | 0.439 | 11% | 0.107 | S | C | . | . | trans | -98.9 | 155.6 | 177.3 | -61.5 | 170.5 | 154 | 0 | 0 | 110.8 | V503 N504 R506 | V503-E508 WeakPolarHBondContact CA-O 2.93Å; N504-E508 PolarHBondContact N-O 3.17Å; N504-E508 PolarHBondContact OD1-N 3.28Å; N504-E508 PolarHBondContact OD1-O 3.46Å; R506-E508 HydrophobicContact CB-CG 3.99Å; R506-E508 PolarHBondContact O-N 3.15Å | ||
| 509 | K | 85.1 | Confident | 90.5 | Very high | 58 Ų | 58 | 30.4 Ų | 30.4 | 25% | 0.252 | 14% | 0.139 | S | C | . | . | B | Isolated β-bridge | trans | -68.5 | 131.5 | 171.5 | 64.1 | -175.8 | -179.8 | 179 | 0 | 110.7 | F193 N511 I547 E569 | F193-K509 HydrophobicContact CE2-CG 4.49Å; K509-N511 PolarHBondContact O-N 3.02Å; K509-I547 HydrophobicContact CB-CD1 3.54Å; K509-I547 HydrophobicContact CB-CG1 4.03Å; K509-E569 VanDerWaalsContact CD-OE1 3.25Å; K509-E569 WeakPolarHBondContact CD-OE1 3.49Å; K509-E569 IonicContact NZ-OE1 3.95Å; K509-E569 PolarHBondContact NZ-OE1 2.89Å; K509-E569 IonicContact NZ-OE2 3.56Å; K509-E569 PolarHBondContact NZ-OE2 2.86Å |
| 510 | C | 88.6 | Confident | 90.5 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 4% | 0.041 | 16% | 0.156 | C | C | . | . | trans | -86.8 | 96.4 | 172.9 | -62.4 | 0 | 0 | 0 | 0 | 109.6 | G501 G502 T512 F546 | G501-C510 VanDerWaalsContact CA-O 3.23Å; G501-C510 WeakPolarHBondContact CA-O 3.41Å; G501-C510 WeakPolarHBondContact O-CB 3.35Å; G502-C510 PolarHBondContact O-N 3.43Å; C510-T512 PolarHBondContact O-N 3.3Å; C510-T512 VanDerWaalsContact O-N 3.09Å; C510-F546 VanDerWaalsContact O-CB 3.29Å; C510-F546 WeakPolarHBondContact O-CB 3.4Å | ||
| 511 | N | 87.9 | Confident | 90.4 | Very high | 56 Ų | 56 | 33.7 Ų | 33.7 | 30% | 0.299 | 16% | 0.156 | S | C | . | . | trans | -86.5 | 48 | 170.3 | -67.1 | -7 | 0 | 0 | 0 | 110.6 | K509 V528 F546 | K509-N511 PolarHBondContact O-N 3.02Å; N511-V528 PolarHBondContact O-N 3.34Å; N511-F546 HydrophobicContact CB-CD2 4.15Å | ||
| 512 | T | 90.7 | Very high | 90.4 | Very high | 13 Ų | 13 | 39 Ų | 39 | 8% | 0.08 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 154.4 | -168.6 | 77.1 | 0 | 0 | 0 | 0 | 112.3 | F230 R484 G501 C510 T514 F526 | F230-T512 HydrophobicContact CE1-CG2 3.77Å; R484-T512 PolarHBondContact NH1-OG1 3.15Å; R484-T512 VanDerWaalsContact NH1-OG1 3.08Å; G501-T512 PolarHBondContact N-O 3.46Å; C510-T512 PolarHBondContact O-N 3.3Å; C510-T512 VanDerWaalsContact O-N 3.09Å; T512-T514 PolarHBondContact OG1-OG1 3.38Å; T512-F526 WeakPolarHBondContact CA-O 3.44Å; T512-F526 WeakPolarHBondContact CB-O 3.43Å |
| 513 | L | 93 | Very high | 90.5 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 124.9 | 162.7 | -62 | 178 | 0 | 0 | 0 | 107.7 | V234 L498 L499 V500 S525 F526 V528 L562 V585 | V234-L513 HydrophobicContact CB-CD1 4.29Å; V234-L513 HydrophobicContact CG1-CD1 4.12Å; L498-L513 HydrophobicContact CD1-CB 4.05Å; L499-L513 WeakPolarHBondContact O-CA 3.28Å; V500-L513 HydrophobicContact CB-CD2 4.12Å; V500-L513 HydrophobicContact CG1-CD2 3.8Å; V500-L513 HydrophobicContact CG2-CD2 3.84Å; L513-S525 CarbonylContact O-C 3.56Å; L513-S525 WeakPolarHBondContact O-CA 3.43Å; L513-F526 PolarHBondContact N-O 2.81Å; L513-F526 PolarHBondContact O-N 2.86Å; L513-V528 HydrophobicContact CD1-CG2 4.06Å; L513-V528 HydrophobicContact CD2-CG2 4.47Å; L513-V528 HydrophobicContact CG-CG2 3.72Å; L513-L562 HydrophobicContact CD2-CD2 3.91Å; L513-V585 HydrophobicContact CD1-CG1 3.53Å |
| 514 | T | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 118.7 | -176.7 | -59.9 | 0 | 0 | 0 | 0 | 110.3 | V482 R484 L498 L499 T512 V516 I524 S525 | V482-T514 HydrophobicContact CG2-CG2 4.19Å; R484-T514 PolarHBondContact NH2-OG1 3.25Å; L498-T514 CarbonylContact C-O 3.56Å; L499-T514 HydrophobicContact CD1-CG2 4.49Å; L499-T514 PolarHBondContact N-O 3.43Å; L499-T514 PolarHBondContact O-N 3.49Å; T512-T514 PolarHBondContact OG1-OG1 3.38Å; T514-V516 HydrophobicContact CG2-CG2 4.44Å; T514-I524 CarbonylContact C-O 3.6Å; T514-I524 VanDerWaalsContact CA-O 3.26Å; T514-I524 WeakPolarHBondContact CA-O 3.38Å; T514-S525 WeakPolarHBondContact CG2-OG 3.47Å; T514-S525 PolarHBondContact OG1-OG 3.28Å |
| 515 | L | 94.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 142 | 168.5 | -61.3 | 179.2 | 0 | 0 | 0 | 110 | L492 V496 L497 L498 T523 I524 F526 L590 F592 | L492-L515 HydrophobicContact CD1-CD2 3.71Å; V496-L515 HydrophobicContact CG1-CB 4.34Å; V496-L515 HydrophobicContact CG1-CD2 3.88Å; L497-L515 CarbonylContact O-C 3.58Å; L497-L515 WeakPolarHBondContact O-CA 3.49Å; L498-L515 HydrophobicContact CB-CD2 4.39Å; L498-L515 HydrophobicContact CD1-CD2 3.94Å; L515-T523 CarbonylContact O-C 3.54Å; L515-T523 WeakPolarHBondContact O-CA 3.29Å; L515-T523 WeakPolarHBondContact O-CB 3.42Å; L515-I524 HydrophobicContact CB-CB 4.44Å; L515-I524 PolarHBondContact N-O 3.41Å; L515-I524 PolarHBondContact O-N 3Å; L515-F526 HydrophobicContact CD1-CE2 3.82Å; L515-F526 HydrophobicContact CD1-CZ 4.38Å; L515-F526 HydrophobicContact CG-CE2 3.99Å; L515-L590 HydrophobicContact CD1-CB 3.94Å; L515-L590 HydrophobicContact CD1-CD2 4.11Å; L515-L590 HydrophobicContact CD1-CG 4.39Å; L515-L590 HydrophobicContact CD2-CD1 4.21Å; L515-F592 HydrophobicContact CB-CE2 3.68Å; L515-F592 HydrophobicContact CB-CZ 3.95Å |
| 516 | V | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 122.8 | 176.1 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | I448 I462 L478 V496 L497 L499 T514 K522 T523 | I448-V516 HydrophobicContact CD1-CG1 4.28Å; I448-V516 HydrophobicContact CD1-CG2 4.19Å; I462-V516 HydrophobicContact CD1-CG1 3.61Å; L478-V516 HydrophobicContact CD2-CG1 3.62Å; L478-V516 HydrophobicContact CD2-CG2 4.42Å; V496-V516 WeakPolarHBondContact CA-O 3.36Å; L497-V516 HydrophobicContact CB-CB 4.34Å; L497-V516 PolarHBondContact N-O 3.11Å; L497-V516 PolarHBondContact O-N 2.88Å; L499-V516 HydrophobicContact CD1-CG2 3.73Å; L499-V516 HydrophobicContact CD2-CG2 4.39Å; L499-V516 HydrophobicContact CG-CG2 3.88Å; T514-V516 HydrophobicContact CG2-CG2 4.44Å; V516-K522 WeakPolarHBondContact CA-O 3.4Å; V516-T523 HydrophobicContact CB-CG2 4.43Å; V516-T523 HydrophobicContact CG1-CG2 4.28Å; V516-T523 HydrophobicContact CG2-CG2 3.91Å |
| 517 | N | 94.7 | Very high | 91.2 | Very high | 17 Ų | 17 | 34.4 Ų | 34.4 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 115 | 171.5 | -176.1 | -49.8 | 0 | 0 | 0 | 108.6 | E495 K519 N520 G521 K522 F592 | E495-N517 WeakPolarHBondContact O-CA 3.37Å; N517-K519 PolarHBondContact O-N 2.66Å; N517-K519 VanDerWaalsContact OD1-CB 3.23Å; N517-K519 WeakPolarHBondContact OD1-CB 3.32Å; N517-K519 PolarHBondContact OD1-N 2.85Å; N517-N520 VanDerWaalsContact CB-OD1 3.31Å; N517-N520 WeakPolarHBondContact CB-OD1 3.45Å; N517-N520 PolarHBondContact OD1-OD1 3.23Å; N517-G521 WeakPolarHBondContact O-CA 3.3Å; N517-G521 PolarHBondContact O-N 2.9Å; N517-K522 HydrophobicContact CB-CB 4.48Å; N517-K522 PolarHBondContact N-O 3Å; N517-F592 HydrophobicContact CB-CD1 4.14Å; N517-F592 HydrophobicContact CB-CD2 3.94Å; N517-F592 HydrophobicContact CB-CE1 3.86Å; N517-F592 HydrophobicContact CB-CE2 3.64Å; N517-F592 HydrophobicContact CB-CG 4.17Å; N517-F592 HydrophobicContact CB-CZ 3.61Å; N517-F592 VanDerWaalsContact N-CE2 3.29Å |
| 518 | L | 94.4 | Very high | 91.4 | Very high | 11 Ų | 11 | 32.8 Ų | 32.8 | 6% | 0.058 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -20.1 | -174.7 | -63.8 | 178.8 | 0 | 0 | 0 | 113.3 | V439 V446 I462 F464 E495 L497 | V439-L518 HydrophobicContact CG2-CD1 3.64Å; V446-L518 HydrophobicContact CG1-CD2 4.11Å; V446-L518 HydrophobicContact CG2-CD1 4.37Å; V446-L518 HydrophobicContact CG2-CD2 4.31Å; I462-L518 HydrophobicContact CD1-CD2 4.34Å; F464-L518 HydrophobicContact CE1-CB 4.49Å; F464-L518 VanDerWaalsContact CZ-O 3.3Å; F464-L518 WeakPolarHBondContact CZ-O 3.45Å; E495-L518 WeakPolarHBondContact O-CB 3.29Å; E495-L518 WeakPolarHBondContact O-CG 3.33Å; E495-L518 PolarHBondContact O-N 3.14Å; L497-L518 HydrophobicContact CB-CD2 4.07Å; L497-L518 HydrophobicContact CB-CG 4.48Å |
| 519 | K | 93 | Very high | 91.5 | Very high | 158 Ų | 158 | 31.8 Ų | 31.8 | 69% | 0.687 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -38.2 | -179.8 | -172.2 | 176.5 | -178.7 | 171.2 | 0 | 112.6 | N517 | N517-K519 PolarHBondContact O-N 2.66Å; N517-K519 VanDerWaalsContact OD1-CB 3.23Å; N517-K519 WeakPolarHBondContact OD1-CB 3.32Å; N517-K519 PolarHBondContact OD1-N 2.85Å |
| 520 | N | 94.1 | Very high | 91.3 | Very high | 69 Ų | 69 | 32 Ų | 32 | 37% | 0.369 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | -1.4 | -170.5 | 63.3 | 18.2 | 0 | 0 | 0 | 114.7 | N517 K522 | N517-N520 VanDerWaalsContact CB-OD1 3.31Å; N517-N520 WeakPolarHBondContact CB-OD1 3.45Å; N517-N520 PolarHBondContact OD1-OD1 3.23Å; N520-K522 PolarHBondContact O-N 2.86Å; N520-K522 VanDerWaalsContact OD1-CB 3.26Å; N520-K522 WeakPolarHBondContact OD1-CB 3.35Å; N520-K522 WeakPolarHBondContact OD1-CG 3.29Å; N520-K522 PolarHBondContact OD1-N 2.53Å |
| 521 | G | 94.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | 74.2 | 5.4 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | L478 E479 N517 T523 | L478-G521 WeakPolarHBondContact CA-O 3.34Å; E479-G521 PolarHBondContact N-O 3.49Å; N517-G521 WeakPolarHBondContact O-CA 3.3Å; N517-G521 PolarHBondContact O-N 2.9Å; G521-T523 WeakPolarHBondContact O-CG2 3.34Å | ||
| 522 | K | 94.7 | Very high | 89.1 | Confident | 112 Ų | 112 | 40.5 Ų | 40.5 | 49% | 0.487 | 20% | 0.201 | S | C | . | . | B | Isolated β-bridge | trans | -65.9 | 141.2 | 178.8 | -72.7 | -171.7 | 176.8 | -173.6 | 0 | 110.9 | E479 V516 N517 N520 F592 | E479-K522 CarbonylContact O-C 3.11Å; E479-K522 VanDerWaalsContact O-CA 3.22Å; E479-K522 WeakPolarHBondContact O-CA 3.11Å; V516-K522 WeakPolarHBondContact CA-O 3.4Å; N517-K522 HydrophobicContact CB-CB 4.48Å; N517-K522 PolarHBondContact N-O 3Å; N520-K522 PolarHBondContact O-N 2.86Å; N520-K522 VanDerWaalsContact OD1-CB 3.26Å; N520-K522 WeakPolarHBondContact OD1-CB 3.35Å; N520-K522 WeakPolarHBondContact OD1-CG 3.29Å; N520-K522 PolarHBondContact OD1-N 2.53Å; K522-F592 HydrophobicContact CB-CE1 4.2Å; K522-F592 VanDerWaalsContact O-CZ 3.27Å; K522-F592 WeakPolarHBondContact O-CZ 3.16Å |
| 523 | T | 93.4 | Very high | 87.3 | Confident | 9 Ų | 9 | 46.2 Ų | 46.2 | 6% | 0.055 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 143.5 | -178 | 75.4 | 0 | 0 | 0 | 0 | 112.6 | L478 E479 P480 V482 L515 V516 G521 | L478-T523 HydrophobicContact CB-CG2 4.1Å; L478-T523 HydrophobicContact CD2-CG2 3.83Å; L478-T523 HydrophobicContact CG-CG2 4.47Å; E479-T523 PolarHBondContact O-N 2.79Å; P480-T523 WeakPolarHBondContact CD-O 3.38Å; P480-T523 VanDerWaalsContact CD-OG1 3.3Å; P480-T523 WeakPolarHBondContact CD-OG1 3.44Å; P480-T523 PolarHBondContact O-OG1 3.09Å; V482-T523 WeakPolarHBondContact CG1-OG1 3.46Å; V482-T523 HydrophobicContact CG2-CG2 3.59Å; L515-T523 CarbonylContact O-C 3.54Å; L515-T523 WeakPolarHBondContact O-CA 3.29Å; L515-T523 WeakPolarHBondContact O-CB 3.42Å; V516-T523 HydrophobicContact CB-CG2 4.43Å; V516-T523 HydrophobicContact CG1-CG2 4.28Å; V516-T523 HydrophobicContact CG2-CG2 3.91Å; G521-T523 WeakPolarHBondContact O-CG2 3.34Å |
| 524 | I | 91.5 | Very high | 84.9 | Confident | 13 Ų | 13 | 54.8 Ų | 54.8 | 7% | 0.067 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 123.1 | 177.8 | -66.6 | 175 | 0 | 0 | 0 | 107.2 | W231 T514 L515 F526 F592 | W231-I524 HydrophobicContact CB-CG2 3.51Å; W231-I524 HydrophobicContact CD2-CG2 4.08Å; W231-I524 HydrophobicContact CG-CB 4.48Å; W231-I524 HydrophobicContact CG-CG1 4.49Å; W231-I524 HydrophobicContact CG-CG2 3.42Å; W231-I524 VanDerWaalsContact CG-CG2 3.42Å; T514-I524 CarbonylContact C-O 3.6Å; T514-I524 VanDerWaalsContact CA-O 3.26Å; T514-I524 WeakPolarHBondContact CA-O 3.38Å; L515-I524 HydrophobicContact CB-CB 4.44Å; L515-I524 PolarHBondContact N-O 3.41Å; L515-I524 PolarHBondContact O-N 3Å; I524-F526 HydrophobicContact CB-CE2 4.47Å; I524-F526 HydrophobicContact CG2-CD2 4.36Å; I524-F526 HydrophobicContact CG2-CE1 4.35Å; I524-F526 HydrophobicContact CG2-CE2 3.58Å; I524-F526 HydrophobicContact CG2-CZ 3.57Å; I524-F592 HydrophobicContact CB-CE1 4.46Å; I524-F592 HydrophobicContact CD1-CD1 3.51Å; I524-F592 HydrophobicContact CD1-CE1 3.5Å; I524-F592 VanDerWaalsContact CD1-CE1 3.5Å; I524-F592 HydrophobicContact CD1-CG 4.33Å; I524-F592 HydrophobicContact CD1-CZ 4.29Å; I524-F592 HydrophobicContact CG1-CD1 4.22Å; I524-F592 HydrophobicContact CG1-CE1 3.67Å; I524-F592 HydrophobicContact CG1-CZ 4.28Å |
| 525 | S | 91.7 | Very high | 82.3 | Confident | 6 Ų | 6 | 63.6 Ų | 63.6 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 137.6 | -179.3 | -63.5 | 0 | 0 | 0 | 0 | 111.6 | F230 W231 L513 T514 | F230-S525 WeakPolarHBondContact CA-O 3.01Å; W231-S525 PolarHBondContact N-O 3.03Å; L513-S525 CarbonylContact O-C 3.56Å; L513-S525 WeakPolarHBondContact O-CA 3.43Å; T514-S525 WeakPolarHBondContact CG2-OG 3.47Å; T514-S525 PolarHBondContact OG1-OG 3.28Å |
| 526 | F | 90.6 | Very high | 79.8 | Confident | 30 Ų | 30 | 68 Ų | 68 | 13% | 0.132 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 136 | 175.6 | -56.7 | -90 | 0 | 0 | 0 | 109.7 | W231 G232 V234 T512 L513 L515 I524 L590 | W231-F526 HydrophobicContact CB-CE1 4.17Å; G232-F526 WeakPolarHBondContact O-CA 3.25Å; V234-F526 HydrophobicContact CG2-CB 3.65Å; V234-F526 HydrophobicContact CG2-CD1 4.03Å; V234-F526 HydrophobicContact CG2-CG 3.84Å; T512-F526 WeakPolarHBondContact CA-O 3.44Å; T512-F526 WeakPolarHBondContact CB-O 3.43Å; L513-F526 PolarHBondContact N-O 2.81Å; L513-F526 PolarHBondContact O-N 2.86Å; L515-F526 HydrophobicContact CD1-CE2 3.82Å; L515-F526 HydrophobicContact CD1-CZ 4.38Å; L515-F526 HydrophobicContact CG-CE2 3.99Å; I524-F526 HydrophobicContact CB-CE2 4.47Å; I524-F526 HydrophobicContact CG2-CD2 4.36Å; I524-F526 HydrophobicContact CG2-CE1 4.35Å; I524-F526 HydrophobicContact CG2-CE2 3.58Å; I524-F526 HydrophobicContact CG2-CZ 3.57Å; F526-L590 HydrophobicContact CE1-CD2 4.3Å; F526-L590 HydrophobicContact CE2-CD2 3.8Å; F526-L590 HydrophobicContact CZ-CD2 3.68Å |
| 527 | A | 88.8 | Confident | 76.8 | Confident | 14 Ų | 14 | 74.3 Ų | 74.3 | 12% | 0.116 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 146.1 | 167 | 0 | 0 | 0 | 0 | 0 | 109.6 | F230 G232 H233 V234 | F230-A527 HydrophobicContact CD1-CB 4.09Å; F230-A527 HydrophobicContact CE1-CB 4.28Å; G232-A527 PolarHBondContact O-N 2.9Å; H233-A527 CarbonylContact C-O 3.58Å; H233-A527 WeakPolarHBondContact CA-O 3.36Å; V234-A527 PolarHBondContact N-O 2.75Å |
| 528 | V | 87.7 | Confident | 73.9 | Confident | 20 Ų | 20 | 77 Ų | 77 | 12% | 0.121 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 115.4 | 174.8 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | A236 N511 L513 F546 | A236-V528 HydrophobicContact CB-CG1 3.5Å; N511-V528 PolarHBondContact O-N 3.34Å; L513-V528 HydrophobicContact CD1-CG2 4.06Å; L513-V528 HydrophobicContact CD2-CG2 4.47Å; L513-V528 HydrophobicContact CG-CG2 3.72Å; V528-F546 HydrophobicContact CB-CE2 4.49Å; V528-F546 HydrophobicContact CB-CZ 4.09Å; V528-F546 HydrophobicContact CG1-CZ 4.04Å; V528-F546 HydrophobicContact CG2-CE1 4.46Å; V528-F546 HydrophobicContact CG2-CZ 4.05Å |
| 529 | D | 84.7 | Confident | 71.2 | Confident | 73 Ų | 73 | 82.4 Ų | 82.4 | 39% | 0.39 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 121.2 | 174.2 | -71.7 | -10.8 | 0 | 0 | 0 | 109.4 | H233 V234 A236 | H233-D529 WeakPolarHBondContact CB-OD2 3.21Å; H233-D529 IonicContact CE1-OD1 3.9Å; H233-D529 IonicContact CE1-OD2 3.39Å; H233-D529 IonicContact CG-OD1 3.58Å; H233-D529 IonicContact CG-OD2 3.98Å; H233-D529 VanDerWaalsContact CG-OD2 3.24Å; H233-D529 IonicContact ND1-OD1 2.87Å; H233-D529 PolarHBondContact ND1-OD1 3.24Å; H233-D529 IonicContact ND1-OD2 2.94Å; H233-D529 PolarHBondContact ND1-OD2 3.04Å; V234-D529 PolarHBondContact O-N 2.99Å; A236-D529 PolarHBondContact N-O 2.81Å |
| 530 | L | 79.8 | Confident | 68.7 | Low | 61 Ų | 61 | 80.6 Ų | 80.6 | 32% | 0.319 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 121.1 | 174.1 | -65.6 | 172.8 | 0 | 0 | 0 | 108.6 | A236 Q532 F544 L583 | A236-L530 HydrophobicContact CB-CD2 4.22Å; L530-Q532 PolarHBondContact O-N 3.49Å; L530-F544 HydrophobicContact CD1-CB 4.4Å; L530-L583 HydrophobicContact CD2-CD1 3.98Å; L530-L583 HydrophobicContact CD2-CD2 3.31Å; L530-L583 HydrophobicContact CD2-CG 4.29Å |
| 531 | D | 73.3 | Confident | 66 | Low | 87 Ų | 87 | 81.7 Ų | 81.7 | 47% | 0.465 | 47% | 0.468 | S | S | . | . | trans | -64.6 | 102.5 | 169.2 | -122.7 | -20.9 | 0 | 0 | 0 | 107.3 | A236 D533 | A236-D531 PolarHBondContact O-N 3.1Å; D531-D533 PolarHBondContact O-N 3.09Å | ||
| 532 | Q | 58.1 | Low | 64 | Low | 154 Ų | 154 | 83.8 Ų | 83.8 | 72% | 0.72 | 48% | 0.484 | S | S | * | . | trans | -83.1 | 96 | 171.5 | -68 | -172.7 | 16.3 | 0 | 0 | 106.4 | L530 L534 | L530-Q532 PolarHBondContact O-N 3.49Å; Q532-L534 PolarHBondContact O-N 3.24Å | ||
| 533 | D | 52.8 | Low | 62.9 | Low | 134 Ų | 134 | 81.9 Ų | 81.9 | 72% | 0.717 | 49% | 0.485 | S | S | * | . | trans | -53 | 119.5 | 167.1 | -73.8 | -34.8 | 0 | 0 | 0 | 108.3 | D531 E535 | D531-D533 PolarHBondContact O-N 3.09Å; D533-E535 PolarHBondContact O-N 3.01Å | ||
| 534 | L | 41.6 | Very low | 62.4 | Low | 182 Ų | 182 | 81.6 Ų | 81.6 | 95% | 0.953 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 13 | -167.3 | -90.6 | 149.6 | 0 | 0 | 0 | 116 | Q532 | Q532-L534 PolarHBondContact O-N 3.24Š|
| 535 | E | 39.7 | Very low | 62.1 | Low | 184 Ų | 184 | 81.1 Ų | 81.1 | 86% | 0.86 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.7 | -0.5 | -168.5 | -66.9 | -167.4 | 164.1 | 0 | 0 | 116.3 | D533 | D533-E535 PolarHBondContact O-N 3.01Š|
| 536 | S | 40.7 | Very low | 62 | Low | 95 Ų | 95 | 81.1 Ų | 81.1 | 66% | 0.664 | 48% | 0.481 | S | S | * | . | trans | -103.8 | 82.3 | 175.8 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | S538 | S536-S538 PolarHBondContact O-N 3.22Å; S536-S538 VanDerWaalsContact O-N 3.15Å | ||
| 537 | S | 32 | Very low | 62 | Low | 131 Ų | 131 | 79.7 Ų | 79.7 | 92% | 0.916 | 47% | 0.474 | S | S | * | . | trans | -77.4 | 23.3 | 177.1 | 54.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 538 | S | 35.4 | Very low | 62 | Low | 73 Ų | 73 | 79.2 Ų | 79.2 | 51% | 0.51 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -129.7 | 103.4 | -178.7 | 62.1 | 0 | 0 | 0 | 0 | 111.8 | S536 D540 | S536-S538 PolarHBondContact O-N 3.22Å; S536-S538 VanDerWaalsContact O-N 3.15Å; S538-D540 PolarHBondContact O-N 3.36Å |
| 539 | S | 37.6 | Very low | 62.2 | Low | 125 Ų | 125 | 78.4 Ų | 78.4 | 87% | 0.874 | 47% | 0.465 | S | S | * | . | S | Bend | trans | 48.7 | -3.8 | 154.5 | 57.7 | 0 | 0 | 0 | 0 | 121.8 | ||
| 540 | D | 39.1 | Very low | 62.7 | Low | 120 Ų | 120 | 75.2 Ų | 75.2 | 64% | 0.642 | 45% | 0.448 | S | S | * | . | trans | -102.4 | 26.8 | -170.4 | -78.4 | -4.1 | 0 | 0 | 0 | 112.7 | S538 A542 | S538-D540 PolarHBondContact O-N 3.36Å; D540-A542 PolarHBondContact O-N 3.31Å | ||
| 541 | A | 38.1 | Very low | 63.5 | Low | 93 Ų | 93 | 72.6 Ų | 72.6 | 77% | 0.769 | 44% | 0.435 | S | S | * | . | trans | -69.6 | 43.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S543 | A541-S543 PolarHBondContact O-N 3.47Š| ||
| 542 | A | 52.9 | Low | 64.6 | Low | 43 Ų | 43 | 68.7 Ų | 68.7 | 36% | 0.355 | 42% | 0.415 | S | S | . | . | trans | -69.2 | 96.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | D540 F544 | D540-A542 PolarHBondContact O-N 3.31Å; A542-F544 PolarHBondContact O-N 2.9Å | ||
| 543 | S | 70.8 | Confident | 66.2 | Low | 72 Ų | 72 | 63.3 Ų | 63.3 | 50% | 0.503 | 39% | 0.391 | S | S | . | . | trans | -54.9 | 129.1 | 170.3 | 61.8 | 0 | 0 | 0 | 0 | 109.1 | A541 A545 | A541-S543 PolarHBondContact O-N 3.47Å; S543-A545 PolarHBondContact O-N 3.18Å | ||
| 544 | F | 83.1 | Confident | 68.1 | Low | 3 Ų | 3 | 57 Ų | 57 | 1% | 0.013 | 36% | 0.357 | C | S | . | . | trans | -59.3 | 133.2 | 177.4 | -173.1 | -86 | 0 | 0 | 0 | 111.1 | L530 A542 F546 H549 V564 G566 S579 F581 L583 | L530-F544 HydrophobicContact CD1-CB 4.4Å; A542-F544 PolarHBondContact O-N 2.9Å; F544-F546 HydrophobicContact CB-CE2 4.41Å; F544-F546 HydrophobicContact CD1-CD1 4.34Å; F544-F546 AromaticContact CD1-CD2 3.84Å; F544-F546 HydrophobicContact CD1-CD2 3.84Å; F544-F546 HydrophobicContact CD1-CE1 4.24Å; F544-F546 AromaticContact CD1-CE2 3.73Å; F544-F546 HydrophobicContact CD1-CE2 3.73Å; F544-F546 HydrophobicContact CD1-CG 4.15Å; F544-F546 AromaticContact CD1-CZ 3.93Å; F544-F546 HydrophobicContact CD1-CZ 3.93Å; F544-F546 HydrophobicContact CE1-CD1 4.32Å; F544-F546 HydrophobicContact CE1-CE1 4.35Å; F544-F546 HydrophobicContact CE1-CG 4.42Å; F544-F546 HydrophobicContact CE1-CZ 4.47Å; F544-H549 HydrophobicContact CE1-CB 4.41Å; F544-V564 HydrophobicContact CE1-CB 4.3Å; F544-V564 HydrophobicContact CE1-CG1 3.57Å; F544-V564 HydrophobicContact CZ-CB 4.15Å; F544-V564 HydrophobicContact CZ-CG1 3.68Å; F544-G566 WeakPolarHBondContact CZ-O 3.31Å; F544-S579 VanDerWaalsContact CE2-CB 3.47Å; F544-F581 HydrophobicContact CB-CE2 4.15Å; F544-F581 HydrophobicContact CB-CZ 4.34Å; F544-F581 HydrophobicContact CD2-CD2 4.09Å; F544-F581 AromaticContact CD2-CE2 3.68Å; F544-F581 HydrophobicContact CD2-CE2 3.68Å; F544-F581 HydrophobicContact CD2-CZ 4.35Å; F544-F581 HydrophobicContact CG-CE2 4.39Å; F544-L583 HydrophobicContact CB-CD1 3.66Å; F544-L583 HydrophobicContact CB-CG 4.28Å; F544-L583 HydrophobicContact CD1-CD1 3.49Å; F544-L583 VanDerWaalsContact CD1-CD1 3.49Å; F544-L583 HydrophobicContact CD1-CG 4.36Å; F544-L583 HydrophobicContact CD2-CD1 3.6Å; F544-L583 HydrophobicContact CD2-CD2 4.38Å; F544-L583 HydrophobicContact CD2-CG 3.56Å; F544-L583 HydrophobicContact CE1-CD1 4.01Å; F544-L583 HydrophobicContact CE2-CD1 4.09Å; F544-L583 HydrophobicContact CE2-CG 3.93Å; F544-L583 HydrophobicContact CG-CD1 3.28Å; F544-L583 HydrophobicContact CG-CG 3.81Å; F544-L583 HydrophobicContact CZ-CD1 4.29Å; F544-L583 HydrophobicContact CZ-CG 4.5Å | ||
| 545 | A | 86.5 | Confident | 70.1 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 3% | 0.025 | 34% | 0.341 | C | S | . | . | trans | -90.4 | 108.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S543 I547 E569 S579 | S543-A545 PolarHBondContact O-N 3.18Å; A545-I547 PolarHBondContact O-N 3.29Å; A545-I547 VanDerWaalsContact O-N 3.15Å; A545-E569 HydrophobicContact CB-CG 3.54Å; A545-S579 PolarHBondContact N-OG 3.32Å | ||
| 546 | F | 89.4 | Confident | 71.6 | Confident | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | trans | -78.8 | 14.9 | 175 | -73 | -90 | 0 | 0 | 0 | 114 | V500 G502 C510 N511 V528 F544 H549 V564 L583 | V500-F546 HydrophobicContact CG1-CD1 4.36Å; V500-F546 HydrophobicContact CG1-CE1 4.42Å; G502-F546 PolarHBondContact N-O 2.88Å; C510-F546 VanDerWaalsContact O-CB 3.29Å; C510-F546 WeakPolarHBondContact O-CB 3.4Å; N511-F546 HydrophobicContact CB-CD2 4.15Å; V528-F546 HydrophobicContact CB-CE2 4.49Å; V528-F546 HydrophobicContact CB-CZ 4.09Å; V528-F546 HydrophobicContact CG1-CZ 4.04Å; V528-F546 HydrophobicContact CG2-CE1 4.46Å; V528-F546 HydrophobicContact CG2-CZ 4.05Å; F544-F546 HydrophobicContact CB-CE2 4.41Å; F544-F546 HydrophobicContact CD1-CD1 4.34Å; F544-F546 AromaticContact CD1-CD2 3.84Å; F544-F546 HydrophobicContact CD1-CD2 3.84Å; F544-F546 HydrophobicContact CD1-CE1 4.24Å; F544-F546 AromaticContact CD1-CE2 3.73Å; F544-F546 HydrophobicContact CD1-CE2 3.73Å; F544-F546 HydrophobicContact CD1-CG 4.15Å; F544-F546 AromaticContact CD1-CZ 3.93Å; F544-F546 HydrophobicContact CD1-CZ 3.93Å; F544-F546 HydrophobicContact CE1-CD1 4.32Å; F544-F546 HydrophobicContact CE1-CE1 4.35Å; F544-F546 HydrophobicContact CE1-CG 4.42Å; F544-F546 HydrophobicContact CE1-CZ 4.47Å; F546-H549 VanDerWaalsContact C-ND1 3.31Å; F546-H549 PolarHBondContact O-CE1 3.25Å; F546-H549 PolarHBondContact O-ND1 3.37Å; F546-V564 HydrophobicContact CD1-CG1 4.41Å; F546-V564 HydrophobicContact CE1-CG1 4.23Å; F546-L583 HydrophobicContact CE1-CD1 4.47Å; F546-L583 HydrophobicContact CE2-CD1 4.32Å; F546-L583 HydrophobicContact CZ-CD1 3.76Å | ||
| 547 | I | 89 | Confident | 72.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -110 | 141.5 | 173.5 | -66.2 | 176.7 | 0 | 0 | 0 | 108.6 | E189 V503 K509 A545 H549 G567 G568 | E189-I547 HydrophobicContact CB-CG2 3.45Å; E189-I547 VanDerWaalsContact CB-CG2 3.45Å; E189-I547 HydrophobicContact CG-CG2 3.96Å; V503-I547 HydrophobicContact CG2-CD1 3.82Å; V503-I547 HydrophobicContact CG2-CG1 4.02Å; K509-I547 HydrophobicContact CB-CD1 3.54Å; K509-I547 HydrophobicContact CB-CG1 4.03Å; A545-I547 PolarHBondContact O-N 3.29Å; A545-I547 VanDerWaalsContact O-N 3.15Å; I547-H549 PolarHBondContact O-N 3.05Å; I547-H549 VanDerWaalsContact O-N 3.12Å; I547-G567 CarbonylContact O-C 3.56Å; I547-G567 WeakPolarHBondContact O-CA 3.36Å; I547-G568 PolarHBondContact O-N 2.71Å |
| 548 | N | 89.3 | Confident | 74.4 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.027 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 59.8 | 16.7 | -176.9 | -55.8 | -44 | 0 | 0 | 0 | 114.1 | I250 N251 G567 G568 | I250-N548 HydrophobicContact CB-CB 4.12Å; N251-N548 PolarHBondContact N-O 2.81Å; N251-N548 WeakPolarHBondContact OD1-CB 3.31Å; N251-N548 PolarHBondContact OD1-OD1 3.22Å; N251-N548 VanDerWaalsContact OD1-OD1 3.09Å; N548-G567 WeakPolarHBondContact O-CA 3.1Å; N548-G567 PolarHBondContact O-N 3.24Å; N548-G568 PolarHBondContact ND2-O 3.12Å |
| 549 | H | 93.2 | Very high | 76.3 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 1% | 0.014 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 170.4 | 179 | 75.8 | -80.8 | 0 | 0 | 0 | 111.1 | T488 V500 F544 F546 I547 V564 | T488-H549 PolarHBondContact OG1-NE2 3.33Å; V500-H549 PolarHBondContact O-CE1 3.49Å; V500-H549 PolarHBondContact O-NE2 2.9Å; V500-H549 VanDerWaalsContact O-NE2 3.14Å; F544-H549 HydrophobicContact CE1-CB 4.41Å; F546-H549 VanDerWaalsContact C-ND1 3.31Å; F546-H549 PolarHBondContact O-CE1 3.25Å; F546-H549 PolarHBondContact O-ND1 3.37Å; I547-H549 PolarHBondContact O-N 3.05Å; I547-H549 VanDerWaalsContact O-N 3.12Å; H549-V564 HydrophobicContact CB-CG1 4.29Å |
| 550 | C | 95.2 | Very high | 78.4 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.034 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 159.3 | 159.9 | -155.9 | 0 | 0 | 0 | 0 | 108.9 | C254 F565 | C254-C550 PolarHBondContact SG-SG 3.21Å; C550-F565 HydrophobicContact CB-CE2 4.04Å; C550-F565 HydrophobicContact CB-CZ 4.04Å; C550-F565 PolarHBondContact N-O 3.01Å; C550-F565 PolarHBondContact O-N 3.15Å |
| 551 | S | 95.9 | Very high | 80.8 | Confident | 7 Ų | 7 | 47.1 Ų | 47.1 | 5% | 0.049 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 155 | 173.7 | 69.3 | 0 | 0 | 0 | 0 | 111.1 | C254 T488 H490 Y563 | C254-S551 PolarHBondContact SG-O 2.8Å; T488-S551 WeakPolarHBondContact CB-OG 3.4Å; T488-S551 PolarHBondContact OG1-OG 3.17Å; H490-S551 PolarHBondContact CE1-O 3.48Å; H490-S551 PolarHBondContact NE2-OG 3.35Å; S551-Y563 CarbonylContact C-O 3.12Å; S551-Y563 WeakPolarHBondContact CA-O 3.29Å; S551-Y563 WeakPolarHBondContact CB-O 3.49Å |
| 552 | A | 95.7 | Very high | 83.5 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 136.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | A256 I261 Y563 | A256-A552 HydrophobicContact CB-CB 4.44Å; I261-A552 HydrophobicContact CD1-CB 3.79Å; I261-A552 HydrophobicContact CG1-CB 4.15Å; I261-A552 HydrophobicContact CG2-CB 4.16Å; A552-Y563 PolarHBondContact N-O 3.16Å; A552-Y563 PolarHBondContact O-N 3.46Å |
| 553 | L | 93.1 | Very high | 85.5 | Confident | 41 Ų | 41 | 41.2 Ų | 41.2 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 118.3 | 168.3 | -160 | 72.4 | 0 | 0 | 0 | 108.1 | H490 L492 V560 L562 L587 | H490-L553 HydrophobicContact CB-CB 4.38Å; H490-L553 HydrophobicContact CB-CD2 4.28Å; L492-L553 HydrophobicContact CD2-CD1 4.12Å; L492-L553 HydrophobicContact CD2-CD2 3.93Å; L553-V560 HydrophobicContact CD1-CG1 3.43Å; L553-V560 VanDerWaalsContact CD1-CG1 3.43Å; L553-V560 HydrophobicContact CD2-CG1 3.76Å; L553-V560 HydrophobicContact CG-CG1 3.51Å; L553-L562 HydrophobicContact CD1-CB 4.3Å; L553-L562 HydrophobicContact CD1-CD1 4.4Å; L553-L587 HydrophobicContact CD1-CD1 3.61Å |
| 554 | V | 91.5 | Very high | 86.6 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 123.4 | 175.5 | 179.4 | 0 | 0 | 0 | 0 | 107.3 | A256 I261 A286 T556 A561 Y563 | A256-V554 HydrophobicContact CB-CG2 4.31Å; I261-V554 HydrophobicContact CD1-CG2 3.81Å; I261-V554 HydrophobicContact CG1-CG2 3.85Å; A286-V554 HydrophobicContact CB-CG1 4.03Å; A286-V554 HydrophobicContact CB-CG2 4.33Å; V554-T556 HydrophobicContact CG1-CG2 4.07Å; V554-A561 PolarHBondContact N-O 3.35Å; V554-A561 PolarHBondContact O-N 3.31Å; V554-Y563 HydrophobicContact CB-CD2 4.27Å; V554-Y563 HydrophobicContact CB-CE2 4.11Å; V554-Y563 HydrophobicContact CG2-CD2 3.83Å; V554-Y563 HydrophobicContact CG2-CE2 4.02Å |
| 555 | N | 83.9 | Confident | 87.1 | Confident | 115 Ų | 115 | 37.6 Ų | 37.6 | 62% | 0.615 | 20% | 0.2 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 108.9 | 175.9 | -162.9 | 7.2 | 0 | 0 | 0 | 107.9 | V560 | N555-V560 WeakPolarHBondContact OD1-CG2 3.29Å |
| 556 | T | 71 | Confident | 87.2 | Confident | 40 Ų | 40 | 37.5 Ų | 37.5 | 25% | 0.245 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 159 | 169.1 | 68.9 | 0 | 0 | 0 | 0 | 108.5 | D259 V554 D558 K559 | D259-T556 WeakPolarHBondContact OD1-CG2 3.35Å; V554-T556 HydrophobicContact CG1-CG2 4.07Å; T556-D558 PolarHBondContact O-N 3.48Å; T556-K559 PolarHBondContact N-O 3.38Å; T556-K559 PolarHBondContact O-N 2.81Å; T556-K559 PolarHBondContact OG1-O 2.83Å |
| 557 | D | 66.7 | Low | 87 | Confident | 175 Ų | 175 | 37.2 Ų | 37.2 | 94% | 0.936 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -26.2 | -170.9 | -67.1 | -35 | 0 | 0 | 0 | 114.7 | ||
| 558 | D | 64.3 | Low | 86.6 | Confident | 154 Ų | 154 | 37.3 Ų | 37.3 | 82% | 0.824 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | -12.7 | 179.8 | -65.1 | -37.3 | 0 | 0 | 0 | 115.3 | T556 | T556-D558 PolarHBondContact O-N 3.48Š|
| 559 | K | 74.9 | Confident | 85.8 | Confident | 145 Ų | 145 | 39 Ų | 39 | 63% | 0.63 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 141 | -170.1 | -65.8 | -172.5 | -177.5 | 179.4 | 0 | 114.3 | T556 | T556-K559 PolarHBondContact N-O 3.38Å; T556-K559 PolarHBondContact O-N 2.81Å; T556-K559 PolarHBondContact OG1-O 2.83Å |
| 560 | V | 83.7 | Confident | 84.3 | Confident | 62 Ų | 62 | 40.2 Ų | 40.2 | 38% | 0.376 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 116.3 | 166.1 | -176.4 | 0 | 0 | 0 | 0 | 109 | L553 N555 L587 | L553-V560 HydrophobicContact CD1-CG1 3.43Å; L553-V560 VanDerWaalsContact CD1-CG1 3.43Å; L553-V560 HydrophobicContact CD2-CG1 3.76Å; L553-V560 HydrophobicContact CG-CG1 3.51Å; N555-V560 WeakPolarHBondContact OD1-CG2 3.29Å; V560-L587 HydrophobicContact CG1-CD1 4.12Å |
| 561 | A | 88.9 | Confident | 82.3 | Confident | 12 Ų | 12 | 41 Ų | 41 | 10% | 0.099 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 134.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V554 Y563 | V554-A561 PolarHBondContact N-O 3.35Å; V554-A561 PolarHBondContact O-N 3.31Å; A561-Y563 HydrophobicContact CB-CD2 4.41Å; A561-Y563 HydrophobicContact CB-CE2 3.8Å |
| 562 | L | 94.3 | Very high | 79.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 121.3 | 172.2 | 176.4 | 74.5 | 0 | 0 | 0 | 109.6 | L498 V500 L513 L553 V564 V585 L587 | L498-L562 HydrophobicContact CD2-CD2 4.11Å; V500-L562 HydrophobicContact CG1-CD2 4.45Å; V500-L562 HydrophobicContact CG2-CD1 4.28Å; V500-L562 HydrophobicContact CG2-CD2 3.8Å; L513-L562 HydrophobicContact CD2-CD2 3.91Å; L553-L562 HydrophobicContact CD1-CB 4.3Å; L553-L562 HydrophobicContact CD1-CD1 4.4Å; L562-V564 HydrophobicContact CD2-CG2 3.94Å; L562-V564 HydrophobicContact CG-CG2 4Å; L562-V585 HydrophobicContact CB-CB 4.2Å; L562-V585 HydrophobicContact CD2-CB 4.23Å; L562-V585 HydrophobicContact CD2-CG2 4.21Å; L562-V585 PolarHBondContact N-O 3.11Å; L562-V585 PolarHBondContact O-N 3.07Å; L562-L587 HydrophobicContact CB-CD1 4.18Å; L562-L587 HydrophobicContact CB-CD2 4.21Å; L562-L587 HydrophobicContact CB-CG 4.13Å; L562-L587 HydrophobicContact CD2-CD2 4.42Å |
| 563 | Y | 94.7 | Very high | 77.3 | Confident | 11 Ų | 11 | 44.7 Ų | 44.7 | 4% | 0.043 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 126.8 | 170.8 | -68.2 | -92.7 | 0 | 0 | 0 | 110.1 | V239 I261 F284 A286 S551 A552 V554 A561 L583 H584 | V239-Y563 HydrophobicContact CG2-CD1 4.27Å; V239-Y563 HydrophobicContact CG2-CE1 4.13Å; I261-Y563 HydrophobicContact CD1-CD2 4.09Å; I261-Y563 HydrophobicContact CD1-CG 4.05Å; F284-Y563 AromaticContact CE1-CD1 3.65Å; F284-Y563 HydrophobicContact CE1-CD1 3.65Å; F284-Y563 AromaticContact CE1-CE1 3.55Å; F284-Y563 HydrophobicContact CE1-CE1 3.55Å; F284-Y563 HydrophobicContact CE1-CG 4.17Å; F284-Y563 AromaticContact CZ-CD1 3.88Å; F284-Y563 HydrophobicContact CZ-CD1 3.88Å; F284-Y563 AromaticContact CZ-CE1 3.58Å; F284-Y563 HydrophobicContact CZ-CE1 3.58Å; A286-Y563 HydrophobicContact CB-CE2 3.87Å; A286-Y563 PolarHBondContact O-OH 2.8Å; S551-Y563 CarbonylContact C-O 3.12Å; S551-Y563 WeakPolarHBondContact CA-O 3.29Å; S551-Y563 WeakPolarHBondContact CB-O 3.49Å; A552-Y563 PolarHBondContact N-O 3.16Å; A552-Y563 PolarHBondContact O-N 3.46Å; V554-Y563 HydrophobicContact CB-CD2 4.27Å; V554-Y563 HydrophobicContact CB-CE2 4.11Å; V554-Y563 HydrophobicContact CG2-CD2 3.83Å; V554-Y563 HydrophobicContact CG2-CE2 4.02Å; A561-Y563 HydrophobicContact CB-CD2 4.41Å; A561-Y563 HydrophobicContact CB-CE2 3.8Å; Y563-L583 CarbonylContact C-O 3.58Å; Y563-L583 VanDerWaalsContact CA-O 3.27Å; Y563-L583 WeakPolarHBondContact CA-O 3.39Å; Y563-H584 HydrophobicContact CD1-CB 4.47Å; Y563-H584 HydrophobicContact CE1-CB 4.25Å; Y563-H584 AromaticContact CE1-CD2 3.8Å; Y563-H584 AromaticContact CZ-CD2 3.64Å |
| 564 | V | 94.7 | Very high | 74.7 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 132 | 175.8 | -164.8 | 0 | 0 | 0 | 0 | 108.6 | V500 F544 F546 H549 L562 F582 L583 V585 | V500-V564 HydrophobicContact CG1-CG1 4.26Å; V500-V564 HydrophobicContact CG1-CG2 3.97Å; F544-V564 HydrophobicContact CE1-CB 4.3Å; F544-V564 HydrophobicContact CE1-CG1 3.57Å; F544-V564 HydrophobicContact CZ-CB 4.15Å; F544-V564 HydrophobicContact CZ-CG1 3.68Å; F546-V564 HydrophobicContact CD1-CG1 4.41Å; F546-V564 HydrophobicContact CE1-CG1 4.23Å; H549-V564 HydrophobicContact CB-CG1 4.29Å; L562-V564 HydrophobicContact CD2-CG2 3.94Å; L562-V564 HydrophobicContact CG-CG2 4Å; V564-F582 CarbonylContact O-C 3.59Å; V564-F582 WeakPolarHBondContact O-CA 3.49Å; V564-L583 HydrophobicContact CB-CB 4.2Å; V564-L583 PolarHBondContact N-O 3.31Å; V564-L583 PolarHBondContact O-N 2.99Å; V564-V585 HydrophobicContact CG2-CG2 4.25Å |
| 565 | F | 93 | Very high | 72.3 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 170.9 | -175.7 | 59.5 | -89.3 | 0 | 0 | 0 | 112.6 | C254 I261 I263 C550 F582 | C254-F565 HydrophobicContact CB-CE1 4.42Å; C254-F565 HydrophobicContact CB-CE2 4.49Å; C254-F565 HydrophobicContact CB-CZ 3.6Å; C254-F565 VanDerWaalsContact SG-CZ 3.5Å; I261-F565 HydrophobicContact CG2-CE1 4.28Å; I261-F565 HydrophobicContact CG2-CZ 4.32Å; I263-F565 HydrophobicContact CB-CE2 4.41Å; I263-F565 HydrophobicContact CD1-CD2 4.01Å; I263-F565 HydrophobicContact CD1-CE1 4.46Å; I263-F565 HydrophobicContact CD1-CE2 3.54Å; I263-F565 HydrophobicContact CD1-CZ 3.78Å; I263-F565 HydrophobicContact CG1-CE2 3.75Å; I263-F565 HydrophobicContact CG1-CZ 3.74Å; I263-F565 HydrophobicContact CG2-CE2 3.79Å; I263-F565 HydrophobicContact CG2-CZ 4.46Å; C550-F565 HydrophobicContact CB-CE2 4.04Å; C550-F565 HydrophobicContact CB-CZ 4.04Å; C550-F565 PolarHBondContact N-O 3.01Å; C550-F565 PolarHBondContact O-N 3.15Å; F565-F582 HydrophobicContact CB-CB 4.38Å; F565-F582 HydrophobicContact CB-CD1 3.51Å; F565-F582 HydrophobicContact CB-CD2 3.97Å; F565-F582 HydrophobicContact CB-CE1 3.6Å; F565-F582 HydrophobicContact CB-CE2 4.01Å; F565-F582 HydrophobicContact CB-CG 3.68Å; F565-F582 HydrophobicContact CB-CZ 3.84Å; F565-F582 AromaticContact CD1-CD1 3.57Å; F565-F582 HydrophobicContact CD1-CD1 3.57Å; F565-F582 AromaticContact CD1-CE1 3.29Å; F565-F582 HydrophobicContact CD1-CE1 3.29Å; F565-F582 HydrophobicContact CD1-CZ 4.11Å; F565-F582 HydrophobicContact CD2-CE1 4.05Å; F565-F582 HydrophobicContact CD2-CZ 4.04Å; F565-F582 AromaticContact CE1-CE1 3.93Å; F565-F582 HydrophobicContact CE1-CE1 3.93Å; F565-F582 AromaticContact CG-CD1 3.72Å; F565-F582 HydrophobicContact CG-CD1 3.72Å; F565-F582 AromaticContact CG-CE1 3.36Å; F565-F582 HydrophobicContact CG-CE1 3.36Å; F565-F582 HydrophobicContact CG-CE2 4.37Å; F565-F582 HydrophobicContact CG-CG 4.37Å; F565-F582 AromaticContact CG-CZ 3.72Å; F565-F582 HydrophobicContact CG-CZ 3.72Å |
| 566 | G | 87.7 | Confident | 70.7 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 63.6 | -143.7 | -169.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | R249 F544 S579 | R249-G566 WeakPolarHBondContact O-CA 3.39Å; F544-G566 WeakPolarHBondContact CZ-O 3.31Å; G566-S579 WeakPolarHBondContact O-CB 3.42Å; G566-S579 PolarHBondContact O-OG 3.36Å |
| 567 | G | 86.2 | Confident | 70.3 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | 81.8 | 151.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | I250 I547 N548 C578 S579 | I250-G567 VanDerWaalsContact CG2-C 3.43Å; I250-G567 WeakPolarHBondContact CG2-O 3.46Å; I547-G567 CarbonylContact O-C 3.56Å; I547-G567 WeakPolarHBondContact O-CA 3.36Å; N548-G567 WeakPolarHBondContact O-CA 3.1Å; N548-G567 PolarHBondContact O-N 3.24Å; G567-C578 WeakPolarHBondContact O-CA 3.22Å; G567-S579 PolarHBondContact O-N 2.94Å; G567-S579 PolarHBondContact O-OG 3.08Å | ||
| 568 | G | 80.9 | Confident | 70.7 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -175.7 | 145.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I547 N548 A577 | I547-G568 PolarHBondContact O-N 2.71Å; N548-G568 PolarHBondContact ND2-O 3.12Å; G568-A577 CarbonylContact C-O 3.53Å; G568-A577 WeakPolarHBondContact CA-O 3.34Å |
| 569 | E | 71.6 | Confident | 71.5 | Confident | 39 Ų | 39 | 32.7 Ų | 32.7 | 18% | 0.182 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -101.2 | -5.2 | -167.6 | -54.6 | -166.8 | 172.1 | 0 | 0 | 113.6 | L190 K509 A545 A577 | L190-E569 WeakPolarHBondContact CD2-O 3.44Å; K509-E569 VanDerWaalsContact CD-OE1 3.25Å; K509-E569 WeakPolarHBondContact CD-OE1 3.49Å; K509-E569 IonicContact NZ-OE1 3.95Å; K509-E569 PolarHBondContact NZ-OE1 2.89Å; K509-E569 IonicContact NZ-OE2 3.56Å; K509-E569 PolarHBondContact NZ-OE2 2.86Å; A545-E569 HydrophobicContact CB-CG 3.54Å; E569-A577 PolarHBondContact N-O 3.45Å |
| 570 | N | 61.7 | Low | 71.7 | Confident | 30 Ų | 30 | 27.8 Ų | 27.8 | 16% | 0.16 | 17% | 0.172 | C | C | . | . | trans | -157.8 | 108.9 | -176.8 | -140.6 | -11 | 0 | 0 | 0 | 113.3 | Y275 L572 A577 | Y275-N570 PolarHBondContact OH-O 3.17Å; N570-L572 PolarHBondContact O-N 3.49Å; N570-L572 WeakPolarHBondContact OD1-CB 3.46Å; N570-L572 PolarHBondContact OD1-N 3.24Å; N570-A577 HydrophobicContact CB-CB 3.82Å | ||
| 571 | F | 53.1 | Low | 71.8 | Confident | 20 Ų | 20 | 25.6 Ų | 25.6 | 9% | 0.088 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -8.4 | 165.3 | -61.7 | -79.9 | 0 | 0 | 0 | 112.3 | E187 L190 I250 L267 Y275 | E187-F571 HydrophobicContact CB-CE2 4.43Å; E187-F571 HydrophobicContact CG-CD2 3.97Å; E187-F571 HydrophobicContact CG-CE2 3.87Å; L190-F571 HydrophobicContact CD1-CD2 3.07Å; L190-F571 HydrophobicContact CD1-CE2 3.39Å; L190-F571 HydrophobicContact CD1-CG 4.09Å; L190-F571 HydrophobicContact CG-CD2 4.37Å; L190-F571 HydrophobicContact CG-CE2 4.32Å; I250-F571 HydrophobicContact CD1-CD1 3.69Å; I250-F571 HydrophobicContact CD1-CE1 3.07Å; I250-F571 HydrophobicContact CD1-CZ 3.61Å; I250-F571 HydrophobicContact CG1-CE1 4.06Å; I250-F571 HydrophobicContact CG1-CZ 4.48Å; L267-F571 HydrophobicContact CD1-CE1 3.68Å; L267-F571 HydrophobicContact CD1-CZ 4.23Å; Y275-F571 HydrophobicContact CD1-CD1 4.04Å; Y275-F571 HydrophobicContact CD1-CE1 4.31Å; Y275-F571 HydrophobicContact CD2-CB 4.27Å; Y275-F571 AromaticContact CD2-CD1 3.65Å; Y275-F571 HydrophobicContact CD2-CD1 3.65Å; Y275-F571 HydrophobicContact CD2-CG 4.43Å; Y275-F571 AromaticContact CE1-CD1 3.97Å; Y275-F571 HydrophobicContact CE1-CD1 3.97Å; Y275-F571 HydrophobicContact CE1-CE1 4.4Å; Y275-F571 HydrophobicContact CE2-CB 3.85Å; Y275-F571 AromaticContact CE2-CD1 3.59Å; Y275-F571 HydrophobicContact CE2-CD1 3.59Å; Y275-F571 HydrophobicContact CE2-CG 4.18Å; Y275-F571 AromaticContact CG-CD1 3.87Å; Y275-F571 HydrophobicContact CG-CD1 3.87Å; Y275-F571 HydrophobicContact CG-CE1 4.38Å; Y275-F571 AromaticContact CZ-CD1 3.73Å |
| 572 | L | 45.3 | Very low | 71.9 | Confident | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -6.5 | -167.1 | -48.9 | 174.1 | 0 | 0 | 0 | 114.1 | T3 L5 D177 A179 N570 | T3-L572 HydrophobicContact CG2-CD2 3.69Å; L5-L572 HydrophobicContact CD2-CD1 4.11Å; D177-L572 HydrophobicContact CB-CB 3.82Å; D177-L572 HydrophobicContact CB-CD1 4.05Å; A179-L572 HydrophobicContact CB-CB 3.74Å; A179-L572 HydrophobicContact CB-CD2 3.5Å; A179-L572 HydrophobicContact CB-CG 4.2Å; N570-L572 PolarHBondContact O-N 3.49Å; N570-L572 WeakPolarHBondContact OD1-CB 3.46Å; N570-L572 PolarHBondContact OD1-N 3.24Å |
| 573 | Q | 41.2 | Very low | 71.7 | Confident | 87 Ų | 87 | 25 Ų | 25 | 41% | 0.407 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -123.8 | 145.5 | 179.2 | -71.4 | -174.2 | -2.4 | 0 | 0 | 111.3 | D177 S575 | D177-Q573 WeakPolarHBondContact OD1-CG 3.3Å; D177-Q573 PolarHBondContact OD1-NE2 2.8Å; Q573-S575 PolarHBondContact O-N 3.41Å |
| 574 | S | 39.6 | Very low | 71.6 | Confident | 72 Ų | 72 | 25.1 Ų | 25.1 | 50% | 0.503 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -63.3 | 121.3 | -176.5 | 54.5 | 0 | 0 | 0 | 0 | 111.9 | N273 S576 | N273-S574 WeakPolarHBondContact OD1-CA 3.11Å; N273-S574 WeakPolarHBondContact OD1-CB 3.21Å; N273-S574 PolarHBondContact OD1-N 2.88Å; S574-S576 PolarHBondContact O-N 2.88Å; S574-S576 PolarHBondContact O-OG 3.42Å |
| 575 | S | 41 | Very low | 71.3 | Confident | 66 Ų | 66 | 25.1 Ų | 25.1 | 46% | 0.462 | 15% | 0.154 | S | C | . | . | S | Bend | trans | 50.1 | -22.9 | 163 | 60.6 | 0 | 0 | 0 | 0 | 120.7 | Q573 A577 | Q573-S575 PolarHBondContact O-N 3.41Å; S575-A577 VanDerWaalsContact C-N 3.29Å; S575-A577 PolarHBondContact O-N 3.25Å |
| 576 | S | 49.8 | Very low | 70.6 | Confident | 103 Ų | 103 | 29.1 Ų | 29.1 | 72% | 0.72 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 1.9 | -173.5 | -41.2 | 0 | 0 | 0 | 0 | 114.7 | S574 | S574-S576 PolarHBondContact O-N 2.88Å; S574-S576 PolarHBondContact O-OG 3.42Å |
| 577 | A | 62.8 | Low | 70.1 | Confident | 20 Ų | 20 | 30.4 Ų | 30.4 | 17% | 0.165 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -3.9 | -164.7 | 0 | 0 | 0 | 0 | 0 | 115 | G568 E569 N570 S575 | G568-A577 CarbonylContact C-O 3.53Å; G568-A577 WeakPolarHBondContact CA-O 3.34Å; E569-A577 PolarHBondContact N-O 3.45Å; N570-A577 HydrophobicContact CB-CB 3.82Å; S575-A577 VanDerWaalsContact C-N 3.29Å; S575-A577 PolarHBondContact O-N 3.25Å |
| 578 | C | 74.3 | Confident | 68.9 | Low | 9 Ų | 9 | 33.4 Ų | 33.4 | 6% | 0.061 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -102 | 147.7 | 176.3 | -61.6 | 0 | 0 | 0 | 0 | 110.2 | D248 I250 G567 P580 | D248-C578 HydrophobicContact CB-CB 3.84Å; I250-C578 HydrophobicContact CG2-CB 4.44Å; G567-C578 WeakPolarHBondContact O-CA 3.22Å; C578-P580 VanDerWaalsContact O-CD 3.24Å; C578-P580 WeakPolarHBondContact O-CD 3.39Å |
| 579 | S | 81.8 | Confident | 67.8 | Low | 4 Ų | 4 | 39.2 Ų | 39.2 | 3% | 0.028 | 24% | 0.242 | C | C | . | . | trans | -78.7 | 114.2 | 177.9 | -34.9 | 0 | 0 | 0 | 0 | 110.2 | F544 A545 G566 G567 F581 | F544-S579 VanDerWaalsContact CE2-CB 3.47Å; A545-S579 PolarHBondContact N-OG 3.32Å; G566-S579 WeakPolarHBondContact O-CB 3.42Å; G566-S579 PolarHBondContact O-OG 3.36Å; G567-S579 PolarHBondContact O-N 2.94Å; G567-S579 PolarHBondContact O-OG 3.08Å; S579-F581 PolarHBondContact O-N 2.99Å | ||
| 580 | P | 79.2 | Confident | 67.1 | Low | 42 Ų | 42 | 38.9 Ų | 38.9 | 27% | 0.273 | 24% | 0.241 | S | C | . | . | trans | -91.3 | 33.5 | -172.8 | 37.3 | -33.6 | 0 | 0 | 0 | 111.9 | Y245 C578 | Y245-P580 CarbonylContact O-C 3.54Å; Y245-P580 VanDerWaalsContact O-C 3.26Å; C578-P580 VanDerWaalsContact O-CD 3.24Å; C578-P580 WeakPolarHBondContact O-CD 3.39Å | ||
| 581 | F | 85.6 | Confident | 66.9 | Low | 16 Ų | 16 | 42.1 Ų | 42.1 | 7% | 0.07 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -161.4 | 166.2 | -179.8 | 49.2 | -95.5 | 0 | 0 | 0 | 111.5 | K238 F544 S579 L583 | K238-F581 HydrophobicContact CB-CD2 4.43Å; K238-F581 HydrophobicContact CD-CB 4.29Å; K238-F581 HydrophobicContact CD-CD1 4.01Å; K238-F581 HydrophobicContact CD-CD2 4.3Å; K238-F581 HydrophobicContact CD-CE1 4.42Å; K238-F581 HydrophobicContact CD-CG 3.95Å; K238-F581 HydrophobicContact CG-CB 3.89Å; K238-F581 HydrophobicContact CG-CD1 4.36Å; K238-F581 HydrophobicContact CG-CD2 3.84Å; K238-F581 HydrophobicContact CG-CE2 4.46Å; K238-F581 HydrophobicContact CG-CG 3.78Å; F544-F581 HydrophobicContact CB-CE2 4.15Å; F544-F581 HydrophobicContact CB-CZ 4.34Å; F544-F581 HydrophobicContact CD2-CD2 4.09Å; F544-F581 AromaticContact CD2-CE2 3.68Å; F544-F581 HydrophobicContact CD2-CE2 3.68Å; F544-F581 HydrophobicContact CD2-CZ 4.35Å; F544-F581 HydrophobicContact CG-CE2 4.39Å; S579-F581 PolarHBondContact O-N 2.99Å; F581-L583 HydrophobicContact CD2-CD2 4.08Å; F581-L583 HydrophobicContact CD2-CG 4.44Å; F581-L583 HydrophobicContact CE2-CD2 3.7Å; F581-L583 HydrophobicContact CE2-CG 4.21Å |
| 582 | F | 90.3 | Very high | 66.9 | Low | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 142.2 | 167.2 | -72.7 | -119.2 | 0 | 0 | 0 | 108.5 | V239 Y245 I263 F284 I291 V564 F565 | V239-F582 HydrophobicContact CB-CB 3.87Å; V239-F582 HydrophobicContact CG2-CB 3.87Å; V239-F582 PolarHBondContact N-O 3.26Å; Y245-F582 HydrophobicContact CD1-CD2 4.03Å; Y245-F582 AromaticContact CD1-CE2 3.84Å; Y245-F582 HydrophobicContact CD1-CE2 3.84Å; Y245-F582 HydrophobicContact CD2-CD2 4.48Å; Y245-F582 AromaticContact CD2-CE2 3.63Å; Y245-F582 HydrophobicContact CD2-CE2 3.63Å; Y245-F582 HydrophobicContact CE1-CE2 4.09Å; Y245-F582 AromaticContact CE2-CE2 3.84Å; Y245-F582 HydrophobicContact CE2-CE2 3.84Å; Y245-F582 HydrophobicContact CE2-CZ 4.43Å; Y245-F582 AromaticContact CG-CD2 3.98Å; Y245-F582 HydrophobicContact CG-CD2 3.98Å; Y245-F582 AromaticContact CG-CE2 3.58Å; Y245-F582 HydrophobicContact CG-CE2 3.58Å; I263-F582 HydrophobicContact CD1-CE1 3.98Å; I263-F582 HydrophobicContact CD1-CZ 3.52Å; F284-F582 HydrophobicContact CB-CE1 4.26Å; F284-F582 HydrophobicContact CB-CZ 4.32Å; F284-F582 HydrophobicContact CD1-CD1 4.49Å; F284-F582 HydrophobicContact CD1-CE1 4.25Å; F284-F582 HydrophobicContact CD2-CD1 4.48Å; F284-F582 HydrophobicContact CD2-CE1 4.28Å; F284-F582 HydrophobicContact CD2-CZ 4.41Å; F284-F582 HydrophobicContact CE1-CD1 4.47Å; F284-F582 HydrophobicContact CG-CD1 4.46Å; F284-F582 HydrophobicContact CG-CE1 4Å; F284-F582 HydrophobicContact CG-CZ 4.34Å; F284-F582 HydrophobicContact CZ-CD1 4.48Å; I291-F582 HydrophobicContact CD1-CD2 4.05Å; I291-F582 HydrophobicContact CD1-CE2 3.24Å; I291-F582 HydrophobicContact CD1-CZ 3.63Å; V564-F582 CarbonylContact O-C 3.59Å; V564-F582 WeakPolarHBondContact O-CA 3.49Å; F565-F582 HydrophobicContact CB-CB 4.38Å; F565-F582 HydrophobicContact CB-CD1 3.51Å; F565-F582 HydrophobicContact CB-CD2 3.97Å; F565-F582 HydrophobicContact CB-CE1 3.6Å; F565-F582 HydrophobicContact CB-CE2 4.01Å; F565-F582 HydrophobicContact CB-CG 3.68Å; F565-F582 HydrophobicContact CB-CZ 3.84Å; F565-F582 AromaticContact CD1-CD1 3.57Å; F565-F582 HydrophobicContact CD1-CD1 3.57Å; F565-F582 AromaticContact CD1-CE1 3.29Å; F565-F582 HydrophobicContact CD1-CE1 3.29Å; F565-F582 HydrophobicContact CD1-CZ 4.11Å; F565-F582 HydrophobicContact CD2-CE1 4.05Å; F565-F582 HydrophobicContact CD2-CZ 4.04Å; F565-F582 AromaticContact CE1-CE1 3.93Å; F565-F582 HydrophobicContact CE1-CE1 3.93Å; F565-F582 AromaticContact CG-CD1 3.72Å; F565-F582 HydrophobicContact CG-CD1 3.72Å; F565-F582 AromaticContact CG-CE1 3.36Å; F565-F582 HydrophobicContact CG-CE1 3.36Å; F565-F582 HydrophobicContact CG-CE2 4.37Å; F565-F582 HydrophobicContact CG-CG 4.37Å; F565-F582 AromaticContact CG-CZ 3.72Å; F565-F582 HydrophobicContact CG-CZ 3.72Å |
| 583 | L | 91.1 | Very high | 68 | Low | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 132.1 | 162.1 | -69.3 | 179.4 | 0 | 0 | 0 | 108.9 | A236 L530 F544 F546 Y563 V564 F581 | A236-L583 HydrophobicContact CB-CD2 4.41Å; L530-L583 HydrophobicContact CD2-CD1 3.98Å; L530-L583 HydrophobicContact CD2-CD2 3.31Å; L530-L583 HydrophobicContact CD2-CG 4.29Å; F544-L583 HydrophobicContact CB-CD1 3.66Å; F544-L583 HydrophobicContact CB-CG 4.28Å; F544-L583 HydrophobicContact CD1-CD1 3.49Å; F544-L583 VanDerWaalsContact CD1-CD1 3.49Å; F544-L583 HydrophobicContact CD1-CG 4.36Å; F544-L583 HydrophobicContact CD2-CD1 3.6Å; F544-L583 HydrophobicContact CD2-CD2 4.38Å; F544-L583 HydrophobicContact CD2-CG 3.56Å; F544-L583 HydrophobicContact CE1-CD1 4.01Å; F544-L583 HydrophobicContact CE2-CD1 4.09Å; F544-L583 HydrophobicContact CE2-CG 3.93Å; F544-L583 HydrophobicContact CG-CD1 3.28Å; F544-L583 HydrophobicContact CG-CG 3.81Å; F544-L583 HydrophobicContact CZ-CD1 4.29Å; F544-L583 HydrophobicContact CZ-CG 4.5Å; F546-L583 HydrophobicContact CE1-CD1 4.47Å; F546-L583 HydrophobicContact CE2-CD1 4.32Å; F546-L583 HydrophobicContact CZ-CD1 3.76Å; Y563-L583 CarbonylContact C-O 3.58Å; Y563-L583 VanDerWaalsContact CA-O 3.27Å; Y563-L583 WeakPolarHBondContact CA-O 3.39Å; V564-L583 HydrophobicContact CB-CB 4.2Å; V564-L583 PolarHBondContact N-O 3.31Å; V564-L583 PolarHBondContact O-N 2.99Å; F581-L583 HydrophobicContact CD2-CD2 4.08Å; F581-L583 HydrophobicContact CD2-CG 4.44Å; F581-L583 HydrophobicContact CE2-CD2 3.7Å; F581-L583 HydrophobicContact CE2-CG 4.21Å |
| 584 | H | 92.2 | Very high | 69.4 | Low | 13 Ų | 13 | 45.9 Ų | 45.9 | 6% | 0.06 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 115.5 | 163.4 | 172.7 | -86.7 | 0 | 0 | 0 | 107.7 | A236 R237 V239 Y563 D586 | A236-H584 WeakPolarHBondContact CA-O 3.44Å; R237-H584 HydrophobicContact CG-CB 3.76Å; R237-H584 PolarHBondContact N-O 3.07Å; R237-H584 PolarHBondContact NE-ND1 3.22Å; R237-H584 PolarHBondContact NH2-CE1 2.9Å; R237-H584 PolarHBondContact NH2-NE2 3.4Å; R237-H584 PolarHBondContact O-N 3.33Å; V239-H584 HydrophobicContact CG2-CB 3.63Å; Y563-H584 HydrophobicContact CD1-CB 4.47Å; Y563-H584 HydrophobicContact CE1-CB 4.25Å; Y563-H584 AromaticContact CE1-CD2 3.8Å; Y563-H584 AromaticContact CZ-CD2 3.64Å; H584-D586 IonicContact CE1-OD1 2.87Å; H584-D586 PolarHBondContact CE1-OD1 3.23Å; H584-D586 IonicContact CE1-OD2 3.82Å; H584-D586 IonicContact ND1-OD1 2.66Å; H584-D586 IonicContact ND1-OD2 2.87Å |
| 585 | V | 89.8 | Confident | 71.1 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 116.9 | 174.8 | -174.9 | 0 | 0 | 0 | 0 | 107.2 | V234 A236 L513 L562 V564 L587 | V234-V585 HydrophobicContact CG1-CG1 3.4Å; V234-V585 VanDerWaalsContact CG1-CG1 3.4Å; A236-V585 HydrophobicContact CB-CG2 3.99Å; L513-V585 HydrophobicContact CD1-CG1 3.53Å; L562-V585 HydrophobicContact CB-CB 4.2Å; L562-V585 HydrophobicContact CD2-CB 4.23Å; L562-V585 HydrophobicContact CD2-CG2 4.21Å; L562-V585 PolarHBondContact N-O 3.11Å; L562-V585 PolarHBondContact O-N 3.07Å; V564-V585 HydrophobicContact CG2-CG2 4.25Å; V585-L587 HydrophobicContact CG1-CD2 4.4Å; V585-L587 PolarHBondContact O-N 2.88Å; V585-L587 VanDerWaalsContact O-N 3.12Å |
| 586 | D | 76.4 | Confident | 72.8 | Confident | 83 Ų | 83 | 43.2 Ų | 43.2 | 44% | 0.444 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 105.9 | 165.3 | -73.3 | -65.8 | 0 | 0 | 0 | 107.1 | V234 H584 P588 | V234-D586 WeakPolarHBondContact CG1-O 3.17Å; H584-D586 IonicContact CE1-OD1 2.87Å; H584-D586 PolarHBondContact CE1-OD1 3.23Å; H584-D586 IonicContact CE1-OD2 3.82Å; H584-D586 IonicContact ND1-OD1 2.66Å; H584-D586 IonicContact ND1-OD2 2.87Å; D586-P588 WeakPolarHBondContact O-CD 3.14Å |
| 587 | L | 77.2 | Confident | 74.3 | Confident | 29 Ų | 29 | 39.5 Ų | 39.5 | 15% | 0.152 | 24% | 0.239 | C | C | . | . | trans | -68.2 | 122 | 170.7 | -64.7 | 176 | 0 | 0 | 0 | 106.5 | L492 L498 L553 V560 L562 V585 L590 | L492-L587 HydrophobicContact CD2-CD1 3.96Å; L498-L587 HydrophobicContact CD2-CD1 4.35Å; L498-L587 HydrophobicContact CD2-CD2 3.81Å; L553-L587 HydrophobicContact CD1-CD1 3.61Å; V560-L587 HydrophobicContact CG1-CD1 4.12Å; L562-L587 HydrophobicContact CB-CD1 4.18Å; L562-L587 HydrophobicContact CB-CD2 4.21Å; L562-L587 HydrophobicContact CB-CG 4.13Å; L562-L587 HydrophobicContact CD2-CD2 4.42Å; V585-L587 HydrophobicContact CG1-CD2 4.4Å; V585-L587 PolarHBondContact O-N 2.88Å; V585-L587 VanDerWaalsContact O-N 3.12Å; L587-L590 HydrophobicContact CB-CD1 4.26Å; L587-L590 HydrophobicContact CD2-CD1 3.97Å | ||
| 588 | P | 61.2 | Low | 75 | Confident | 62 Ų | 62 | 40.8 Ų | 40.8 | 40% | 0.403 | 24% | 0.244 | S | C | . | . | trans | -53.3 | 166.7 | 165.9 | -19.5 | 28 | 0 | 0 | 0 | 109.8 | V234 D586 L590 | V234-P588 HydrophobicContact CG2-CG 4.2Å; D586-P588 WeakPolarHBondContact O-CD 3.14Å; P588-L590 HydrophobicContact CB-CD2 3.85Å; P588-L590 HydrophobicContact CB-CG 3.83Å; P588-L590 HydrophobicContact CG-CD2 3.69Å; P588-L590 HydrophobicContact CG-CG 3.92Å; P588-L590 WeakPolarHBondContact O-CG 3.47Å; P588-L590 PolarHBondContact O-N 3.33Å | ||
| 589 | S | 59.2 | Low | 75.1 | Confident | 125 Ų | 125 | 43.1 Ų | 43.1 | 87% | 0.874 | 26% | 0.257 | S | S | * | . | trans | -61.1 | 76.6 | 156.6 | 55.2 | 0 | 0 | 0 | 0 | 108.4 | S591 | S589-S591 PolarHBondContact O-N 3.2Š| ||
| 590 | L | 56.3 | Low | 74.6 | Confident | 31 Ų | 31 | 46.1 Ų | 46.1 | 16% | 0.162 | 27% | 0.274 | C | S | . | . | trans | -81.5 | 96.3 | -170.5 | -76.7 | 170.4 | 0 | 0 | 0 | 107.3 | L515 F526 L587 P588 | L515-L590 HydrophobicContact CD1-CB 3.94Å; L515-L590 HydrophobicContact CD1-CD2 4.11Å; L515-L590 HydrophobicContact CD1-CG 4.39Å; L515-L590 HydrophobicContact CD2-CD1 4.21Å; F526-L590 HydrophobicContact CE1-CD2 4.3Å; F526-L590 HydrophobicContact CE2-CD2 3.8Å; F526-L590 HydrophobicContact CZ-CD2 3.68Å; L587-L590 HydrophobicContact CB-CD1 4.26Å; L587-L590 HydrophobicContact CD2-CD1 3.97Å; P588-L590 HydrophobicContact CB-CD2 3.85Å; P588-L590 HydrophobicContact CB-CG 3.83Å; P588-L590 HydrophobicContact CG-CD2 3.69Å; P588-L590 HydrophobicContact CG-CG 3.92Å; P588-L590 WeakPolarHBondContact O-CG 3.47Å; P588-L590 PolarHBondContact O-N 3.33Å | ||
| 591 | S | 56.8 | Low | 74.2 | Confident | 99 Ų | 99 | 46.4 Ų | 46.4 | 69% | 0.692 | 27% | 0.274 | S | S | * | . | trans | -106.2 | 153.2 | 165.3 | 65.4 | 0 | 0 | 0 | 0 | 110 | S589 | S589-S591 PolarHBondContact O-N 3.2Š| ||
| 592 | F | 54.3 | Low | 73.2 | Confident | 99 Ų | 99 | 49.2 Ų | 49.2 | 43% | 0.434 | 29% | 0.293 | S | S | . | . | trans | -70.5 | 0 | 165.9 | -99.4 | -86 | 0 | 0 | 0 | 112.3 | V496 L515 N517 K522 I524 | V496-F592 HydrophobicContact CG1-CD2 4.27Å; V496-F592 HydrophobicContact CG1-CE2 4.1Å; V496-F592 HydrophobicContact CG2-CD2 3.76Å; V496-F592 HydrophobicContact CG2-CE2 4.23Å; L515-F592 HydrophobicContact CB-CE2 3.68Å; L515-F592 HydrophobicContact CB-CZ 3.95Å; N517-F592 HydrophobicContact CB-CD1 4.14Å; N517-F592 HydrophobicContact CB-CD2 3.94Å; N517-F592 HydrophobicContact CB-CE1 3.86Å; N517-F592 HydrophobicContact CB-CE2 3.64Å; N517-F592 HydrophobicContact CB-CG 4.17Å; N517-F592 HydrophobicContact CB-CZ 3.61Å; N517-F592 VanDerWaalsContact N-CE2 3.29Å; K522-F592 HydrophobicContact CB-CE1 4.2Å; K522-F592 VanDerWaalsContact O-CZ 3.27Å; K522-F592 WeakPolarHBondContact O-CZ 3.16Å; I524-F592 HydrophobicContact CB-CE1 4.46Å; I524-F592 HydrophobicContact CD1-CD1 3.51Å; I524-F592 HydrophobicContact CD1-CE1 3.5Å; I524-F592 VanDerWaalsContact CD1-CE1 3.5Å; I524-F592 HydrophobicContact CD1-CG 4.33Å; I524-F592 HydrophobicContact CD1-CZ 4.29Å; I524-F592 HydrophobicContact CG1-CD1 4.22Å; I524-F592 HydrophobicContact CG1-CE1 3.67Å; I524-F592 HydrophobicContact CG1-CZ 4.28Å |
Retrieved 592 of 592 residues in 749.7 ms
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