| 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 | 38.2 | Very low | 74.9 | Confident | 215 Ų | 215 | 81.6 Ų | 81.6 | 100% | 1.059 | 43% | 0.428 | S | S | * | . | 0 | 135.2 | 0 | -86.1 | 174 | -179.8 | 0 | 0 | 106.4 | H3 | M1-H3 PolarHBondContact O-N 3.49Š| |||
| 2 | V | 50.8 | Low | 76.4 | Confident | 69 Ų | 69 | 75.4 Ų | 75.4 | 42% | 0.418 | 40% | 0.395 | S | S | . | . | trans | -59.4 | 134 | 172.5 | -165.5 | 0 | 0 | 0 | 0 | 107.4 | F4 I45 | V2-F4 HydrophobicContact CG1-CD1 3.94Å; V2-F4 HydrophobicContact CG1-CD2 4.15Å; V2-F4 HydrophobicContact CG1-CE1 3.46Å; V2-F4 VanDerWaalsContact CG1-CE1 3.46Å; V2-F4 HydrophobicContact CG1-CE2 3.65Å; V2-F4 HydrophobicContact CG1-CG 4.28Å; V2-F4 HydrophobicContact CG1-CZ 3.32Å; V2-F4 PolarHBondContact O-N 3.3Å; V2-F4 VanDerWaalsContact O-N 3.07Å; V2-I45 HydrophobicContact CG1-CG1 3.9Å | ||
| 3 | H | 62.8 | Low | 77.8 | Confident | 142 Ų | 142 | 69.7 Ų | 69.7 | 66% | 0.657 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -77.8 | 15.7 | -170 | -74 | -65.2 | 0 | 0 | 0 | 114.4 | M1 | M1-H3 PolarHBondContact O-N 3.49Š|
| 4 | F | 70.5 | Confident | 79 | Confident | 26 Ų | 26 | 70 Ų | 70 | 11% | 0.114 | 37% | 0.368 | C | S | . | . | trans | -154.2 | 156.8 | -176.7 | 53.9 | -97 | 0 | 0 | 0 | 112.5 | V2 E8 I9 I45 M448 | V2-F4 HydrophobicContact CG1-CD1 3.94Å; V2-F4 HydrophobicContact CG1-CD2 4.15Å; V2-F4 HydrophobicContact CG1-CE1 3.46Å; V2-F4 VanDerWaalsContact CG1-CE1 3.46Å; V2-F4 HydrophobicContact CG1-CE2 3.65Å; V2-F4 HydrophobicContact CG1-CG 4.28Å; V2-F4 HydrophobicContact CG1-CZ 3.32Å; V2-F4 PolarHBondContact O-N 3.3Å; V2-F4 VanDerWaalsContact O-N 3.07Å; F4-E8 WeakPolarHBondContact CA-OE2 3.4Å; F4-I9 HydrophobicContact CD2-CD1 3.33Å; F4-I9 HydrophobicContact CD2-CG1 3.57Å; F4-I9 HydrophobicContact CE2-CD1 3.15Å; F4-I9 HydrophobicContact CE2-CG1 3.95Å; F4-I9 HydrophobicContact CG-CD1 4.32Å; F4-I9 HydrophobicContact CG-CG1 4.24Å; F4-I9 HydrophobicContact CZ-CD1 3.99Å; F4-I45 HydrophobicContact CZ-CD1 4.38Å; F4-I45 HydrophobicContact CZ-CG1 4.49Å; F4-M448 HydrophobicContact CE2-CE 3.89Å; F4-M448 HydrophobicContact CZ-CE 3.71Å | ||
| 5 | T | 80.5 | Confident | 80.1 | Confident | 73 Ų | 73 | 69.4 Ų | 69.4 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | trans | -97.5 | 163.1 | 171.2 | 63 | 0 | 0 | 0 | 0 | 111.5 | D7 E8 I9 | T5-D7 PolarHBondContact O-N 2.83Å; T5-E8 PolarHBondContact N-OE2 2.8Å; T5-E8 PolarHBondContact O-N 3.29Å; T5-E8 WeakPolarHBondContact OG1-CB 3.35Å; T5-E8 VanDerWaalsContact OG1-CG 3.26Å; T5-E8 WeakPolarHBondContact OG1-CG 3.35Å; T5-E8 PolarHBondContact OG1-N 3.03Å; T5-E8 PolarHBondContact OG1-OE2 2.99Å; T5-I9 PolarHBondContact O-N 3.33Å; T5-I9 VanDerWaalsContact O-N 3.1Å | ||
| 6 | V | 80.7 | Confident | 81.1 | Confident | 43 Ų | 43 | 67.5 Ų | 67.5 | 26% | 0.261 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61 | -37.3 | 175 | 178.2 | 0 | 0 | 0 | 0 | 111 | I9 R10 E453 | V6-I9 PolarHBondContact O-N 2.81Å; V6-R10 WeakPolarHBondContact O-CB 3.23Å; V6-R10 PolarHBondContact O-N 3.39Å; V6-E453 HydrophobicContact CG2-CB 3.86Å; V6-E453 HydrophobicContact CG2-CG 3.9Å |
| 7 | D | 84.3 | Confident | 81.9 | Confident | 131 Ų | 131 | 66.3 Ų | 66.3 | 70% | 0.701 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -66.1 | -39.5 | 177.9 | -63.8 | -29.9 | 0 | 0 | 0 | 112 | T5 R10 S11 | T5-D7 PolarHBondContact O-N 2.83Å; D7-R10 PolarHBondContact O-N 2.85Å; D7-S11 PolarHBondContact O-N 3.37Å |
| 8 | E | 86.5 | Confident | 82.7 | Confident | 95 Ų | 95 | 62.7 Ų | 62.7 | 44% | 0.444 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.4 | -46 | 173.9 | -76.5 | 165.9 | 161.4 | 0 | 0 | 111.2 | F4 T5 R10 S11 L12 | F4-E8 WeakPolarHBondContact CA-OE2 3.4Å; T5-E8 PolarHBondContact N-OE2 2.8Å; T5-E8 PolarHBondContact O-N 3.29Å; T5-E8 WeakPolarHBondContact OG1-CB 3.35Å; T5-E8 VanDerWaalsContact OG1-CG 3.26Å; T5-E8 WeakPolarHBondContact OG1-CG 3.35Å; T5-E8 PolarHBondContact OG1-N 3.03Å; T5-E8 PolarHBondContact OG1-OE2 2.99Å; E8-R10 VanDerWaalsContact C-N 3.33Å; E8-R10 PolarHBondContact O-N 3.17Å; E8-S11 PolarHBondContact O-N 3.21Å; E8-S11 PolarHBondContact O-OG 3.31Å; E8-L12 WeakPolarHBondContact O-CG 3.47Å; E8-L12 PolarHBondContact O-N 3Å |
| 9 | I | 87.3 | Confident | 83.5 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.3 | -48.9 | 173.2 | -70.3 | -174.1 | 0 | 0 | 0 | 110.2 | F4 T5 V6 S11 L12 M13 L111 L446 | F4-I9 HydrophobicContact CD2-CD1 3.33Å; F4-I9 HydrophobicContact CD2-CG1 3.57Å; F4-I9 HydrophobicContact CE2-CD1 3.15Å; F4-I9 HydrophobicContact CE2-CG1 3.95Å; F4-I9 HydrophobicContact CG-CD1 4.32Å; F4-I9 HydrophobicContact CG-CG1 4.24Å; F4-I9 HydrophobicContact CZ-CD1 3.99Å; T5-I9 PolarHBondContact O-N 3.33Å; T5-I9 VanDerWaalsContact O-N 3.1Å; V6-I9 PolarHBondContact O-N 2.81Å; I9-S11 VanDerWaalsContact C-N 3.27Å; I9-S11 PolarHBondContact O-N 3.09Å; I9-L12 WeakPolarHBondContact O-CB 3.37Å; I9-L12 PolarHBondContact O-N 2.79Å; I9-M13 HydrophobicContact CG2-CE 3.86Å; I9-M13 HydrophobicContact CG2-CG 4.46Å; I9-M13 WeakPolarHBondContact O-CG 3.27Å; I9-M13 PolarHBondContact O-N 2.96Å; I9-L111 HydrophobicContact CG2-CD1 4.12Å; I9-L111 HydrophobicContact CG2-CD2 4.33Å; I9-L446 HydrophobicContact CD1-CD2 3.73Å; I9-L446 HydrophobicContact CG2-CD1 4.33Å; I9-L446 HydrophobicContact CG2-CD2 4.05Å |
| 10 | R | 91.6 | Very high | 84.2 | Confident | 36 Ų | 36 | 56.5 Ų | 56.5 | 14% | 0.136 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.4 | -43 | -179.4 | 179.1 | 58.7 | -166 | 78.6 | 1.1 | 110.9 | V6 D7 E8 L12 M13 D14 I455 D457 | V6-R10 WeakPolarHBondContact O-CB 3.23Å; V6-R10 PolarHBondContact O-N 3.39Å; D7-R10 PolarHBondContact O-N 2.85Å; E8-R10 VanDerWaalsContact C-N 3.33Å; E8-R10 PolarHBondContact O-N 3.17Å; R10-L12 VanDerWaalsContact C-N 3.32Å; R10-L12 PolarHBondContact O-N 2.67Å; R10-M13 WeakPolarHBondContact O-CB 3Å; R10-M13 PolarHBondContact O-N 3.23Å; R10-D14 IonicContact CZ-OD2 2.8Å; R10-D14 VanDerWaalsContact NH1-CG 3.34Å; R10-D14 IonicContact NH1-OD1 2.97Å; R10-D14 IonicContact NH1-OD2 3.36Å; R10-D14 PolarHBondContact NH1-OD2 3.46Å; R10-D14 IonicContact NH2-OD1 2.88Å; R10-D14 IonicContact NH2-OD2 2.71Å; R10-I455 HydrophobicContact CB-CD1 3.98Å; R10-I455 HydrophobicContact CB-CG1 4.43Å; R10-I455 HydrophobicContact CG-CD1 4.27Å; R10-I455 HydrophobicContact CG-CG1 4.43Å; R10-D457 VanDerWaalsContact CD-O 3.25Å; R10-D457 WeakPolarHBondContact CD-O 3.28Å; R10-D457 IonicContact CZ-OD1 3.64Å; R10-D457 IonicContact CZ-OD2 2.71Å; R10-D457 PolarHBondContact NE-O 3Å; R10-D457 IonicContact NE-OD1 3.64Å; R10-D457 IonicContact NE-OD2 3.86Å; R10-D457 PolarHBondContact NE-OD2 3.1Å; R10-D457 IonicContact NH2-OD1 2.75Å; R10-D457 PolarHBondContact NH2-OD1 3.34Å; R10-D457 IonicContact NH2-OD2 3.07Å; R10-D457 PolarHBondContact NH2-OD2 3.43Å |
| 11 | S | 91.3 | Very high | 84.8 | Confident | 66 Ų | 66 | 53.9 Ų | 53.9 | 46% | 0.462 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64 | -36.4 | 177.2 | 78.1 | 0 | 0 | 0 | 0 | 112.8 | D7 E8 I9 M13 D14 | D7-S11 PolarHBondContact O-N 3.37Å; E8-S11 PolarHBondContact O-N 3.21Å; E8-S11 PolarHBondContact O-OG 3.31Å; I9-S11 VanDerWaalsContact C-N 3.27Å; I9-S11 PolarHBondContact O-N 3.09Å; S11-M13 VanDerWaalsContact C-N 3.32Å; S11-M13 PolarHBondContact O-N 3.41Å; S11-D14 PolarHBondContact O-N 2.92Å |
| 12 | L | 92.1 | Very high | 87.6 | Confident | 7 Ų | 7 | 43.6 Ų | 43.6 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.2 | -29.8 | 176.6 | -71.2 | 166.5 | 0 | 0 | 0 | 112.6 | E8 I9 R10 D14 R15 Y78 Y107 L111 | E8-L12 WeakPolarHBondContact O-CG 3.47Å; E8-L12 PolarHBondContact O-N 3Å; I9-L12 WeakPolarHBondContact O-CB 3.37Å; I9-L12 PolarHBondContact O-N 2.79Å; R10-L12 VanDerWaalsContact C-N 3.32Å; R10-L12 PolarHBondContact O-N 2.67Å; L12-D14 PolarHBondContact O-N 2.67Å; L12-R15 WeakPolarHBondContact O-CB 3.3Å; L12-R15 PolarHBondContact O-N 3.41Å; L12-Y78 HydrophobicContact CD1-CD2 3.37Å; L12-Y78 HydrophobicContact CD1-CE2 3.66Å; L12-Y78 HydrophobicContact CD1-CG 4.32Å; L12-Y78 HydrophobicContact CD2-CD2 4.49Å; L12-Y78 HydrophobicContact CD2-CE2 4.04Å; L12-Y107 HydrophobicContact CD2-CE1 3.58Å; L12-Y107 WeakPolarHBondContact CD2-OH 3.22Å; L12-L111 HydrophobicContact CB-CB 4.12Å; L12-L111 HydrophobicContact CB-CD2 4.44Å |
| 13 | M | 95 | Very high | 89.7 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.8 | -28.5 | 176.8 | -68.2 | -175.6 | 172.6 | 0 | 0 | 112.8 | I9 R10 S11 R15 L111 L446 I455 V458 P459 N462 | I9-M13 HydrophobicContact CG2-CE 3.86Å; I9-M13 HydrophobicContact CG2-CG 4.46Å; I9-M13 WeakPolarHBondContact O-CG 3.27Å; I9-M13 PolarHBondContact O-N 2.96Å; R10-M13 WeakPolarHBondContact O-CB 3Å; R10-M13 PolarHBondContact O-N 3.23Å; S11-M13 VanDerWaalsContact C-N 3.32Å; S11-M13 PolarHBondContact O-N 3.41Å; M13-R15 VanDerWaalsContact C-N 3.33Å; M13-L111 HydrophobicContact CG-CD2 3.77Å; M13-L446 HydrophobicContact CE-CD1 3.71Å; M13-I455 HydrophobicContact CE-CD1 3.8Å; M13-I455 HydrophobicContact SD-CD1 3.92Å; M13-V458 HydrophobicContact SD-CG1 4.07Å; M13-V458 HydrophobicContact SD-CG2 4.44Å; M13-P459 HydrophobicContact CB-CG 3.71Å; M13-N462 HydrophobicContact CG-CB 4.36Å; M13-N462 PolarHBondContact O-ND2 3.35Å; M13-N462 HydrophobicContact SD-CB 4.36Å |
| 14 | D | 95.2 | Very high | 91.2 | Very high | 74 Ų | 74 | 33.6 Ų | 33.6 | 40% | 0.396 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -21.5 | 176.4 | -71.7 | -50.9 | 0 | 0 | 0 | 112.6 | R10 S11 L12 K16 | R10-D14 IonicContact CZ-OD2 2.8Å; R10-D14 VanDerWaalsContact NH1-CG 3.34Å; R10-D14 IonicContact NH1-OD1 2.97Å; R10-D14 IonicContact NH1-OD2 3.36Å; R10-D14 PolarHBondContact NH1-OD2 3.46Å; R10-D14 IonicContact NH2-OD1 2.88Å; R10-D14 IonicContact NH2-OD2 2.71Å; S11-D14 PolarHBondContact O-N 2.92Å; L12-D14 PolarHBondContact O-N 2.67Å; D14-K16 PolarHBondContact O-N 2.73Å |
| 15 | R | 95.1 | Very high | 92.3 | Very high | 61 Ų | 61 | 32.3 Ų | 32.3 | 23% | 0.23 | 17% | 0.168 | C | C | . | . | trans | -83.2 | 62.8 | 174.3 | -62.5 | -171.9 | -178.2 | -99.1 | 15.4 | 110.9 | L12 M13 K17 N18 V19 D96 Y97 E98 Y107 | L12-R15 WeakPolarHBondContact O-CB 3.3Å; L12-R15 PolarHBondContact O-N 3.41Å; M13-R15 VanDerWaalsContact C-N 3.33Å; R15-K17 PolarHBondContact O-N 2.97Å; R15-N18 HydrophobicContact CB-CB 4.32Å; R15-N18 WeakPolarHBondContact O-CA 3.12Å; R15-N18 PolarHBondContact O-N 2.89Å; R15-V19 PolarHBondContact O-N 2.91Å; R15-D96 WeakPolarHBondContact CA-OD2 3.33Å; R15-D96 HydrophobicContact CB-CB 4.32Å; R15-Y97 PolarHBondContact NH1-O 3.38Å; R15-E98 IonicContact CZ-OE2 3.99Å; R15-E98 IonicContact NH2-OE2 3.56Å; R15-E98 PolarHBondContact NH2-OE2 3.39Å; R15-Y107 VanDerWaalsContact CD-CE1 3.41Å | ||
| 16 | K | 95.1 | Very high | 92.8 | Very high | 39 Ų | 39 | 28.9 Ų | 28.9 | 17% | 0.17 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -53.9 | -27.3 | -172.3 | -61.3 | 177.3 | -67.8 | -174.5 | 0 | 113.8 | D14 N18 D96 P355 V356 C382 S460 | D14-K16 PolarHBondContact O-N 2.73Å; K16-N18 VanDerWaalsContact C-N 3.31Å; K16-D96 PolarHBondContact N-OD2 3.15Å; K16-P355 VanDerWaalsContact O-CD 3.29Å; K16-P355 WeakPolarHBondContact O-CD 3.34Å; K16-P355 VanDerWaalsContact O-CG 3.27Å; K16-P355 WeakPolarHBondContact O-CG 3.33Å; K16-V356 HydrophobicContact CB-CG2 3.57Å; K16-C382 PolarHBondContact NZ-O 3.16Å; K16-S460 VanDerWaalsContact CD-O 3.29Å; K16-S460 WeakPolarHBondContact CD-O 3.32Å |
| 17 | K | 96.2 | Very high | 93 | Very high | 47 Ų | 47 | 27.7 Ų | 27.7 | 20% | 0.204 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -75.6 | -23 | 177.7 | -58.5 | -177.8 | -176.6 | -176.8 | 0 | 112.2 | R15 R20 N93 Q94 L95 D96 S354 V356 | R15-K17 PolarHBondContact O-N 2.97Å; K17-R20 PolarHBondContact O-NH1 2.77Å; K17-N93 WeakPolarHBondContact CD-O 3.39Å; K17-N93 WeakPolarHBondContact CG-O 3.24Å; K17-N93 PolarHBondContact NZ-OD1 3.43Å; K17-Q94 CarbonylContact O-C 3.55Å; K17-L95 VanDerWaalsContact CD-O 3.25Å; K17-L95 WeakPolarHBondContact CD-O 3.47Å; K17-D96 HydrophobicContact CB-CB 4.37Å; K17-D96 WeakPolarHBondContact CB-OD2 3.44Å; K17-D96 WeakPolarHBondContact CD-OD1 3.44Å; K17-D96 PolarHBondContact N-OD2 3.48Å; K17-S354 VanDerWaalsContact O-CB 3.28Å; K17-S354 WeakPolarHBondContact O-CB 3.47Å; K17-V356 HydrophobicContact CG-CG2 4.22Å |
| 18 | N | 96 | Very high | 92.8 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.011 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -97.3 | 7.8 | 177.3 | -74.3 | 55.8 | 0 | 0 | 0 | 113.4 | R15 K16 D96 Y107 G109 F110 L111 | R15-N18 HydrophobicContact CB-CB 4.32Å; R15-N18 WeakPolarHBondContact O-CA 3.12Å; R15-N18 PolarHBondContact O-N 2.89Å; K16-N18 VanDerWaalsContact C-N 3.31Å; N18-D96 PolarHBondContact OD1-N 2.91Å; N18-Y107 PolarHBondContact ND2-O 2.74Å; N18-G109 WeakPolarHBondContact CB-O 3.5Å; N18-G109 PolarHBondContact ND2-O 3.36Å; N18-F110 HydrophobicContact CB-CD1 4.15Å; N18-F110 HydrophobicContact CB-CE1 4.36Å; N18-F110 VanDerWaalsContact O-CA 3.3Å; N18-F110 WeakPolarHBondContact O-CA 3.33Å; N18-F110 VanDerWaalsContact O-CD1 3.29Å; N18-F110 WeakPolarHBondContact O-CD1 3.49Å; N18-L111 PolarHBondContact O-N 2.77Å; N18-L111 VanDerWaalsContact O-N 3.07Å |
| 19 | V | 97.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 140 | 171.4 | 179.4 | 0 | 0 | 0 | 0 | 109.8 | R15 L111 S354 P355 | R15-V19 PolarHBondContact O-N 2.91Å; V19-L111 CarbonylContact C-O 3.5Å; V19-L111 WeakPolarHBondContact CA-O 3.45Å; V19-L111 HydrophobicContact CG2-CB 4.36Å; V19-L111 HydrophobicContact CG2-CD2 4.4Å; V19-S354 WeakPolarHBondContact O-CA 3.33Å; V19-P355 HydrophobicContact CB-CG 4.01Å; V19-P355 HydrophobicContact CG1-CG 4.28Å; V19-P355 VanDerWaalsContact O-CD 3.31Å; V19-P355 WeakPolarHBondContact O-CD 3.36Å |
| 20 | R | 97.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 106.3 | 171.1 | -63.3 | -64 | 179.9 | -87.2 | 2.8 | 109.3 | K17 Q94 F110 L111 I112 N113 I348 C349 L352 | K17-R20 PolarHBondContact O-NH1 2.77Å; R20-Q94 PolarHBondContact NH2-O 2.75Å; R20-F110 HydrophobicContact CG-CD1 4.42Å; R20-L111 PolarHBondContact N-O 3.45Å; R20-I112 HydrophobicContact CB-CG1 4.27Å; R20-I112 CarbonylContact O-C 3.59Å; R20-I112 WeakPolarHBondContact O-CA 3.45Å; R20-N113 PolarHBondContact O-N 3.34Å; R20-I348 HydrophobicContact CB-CG2 4.22Å; R20-I348 HydrophobicContact CG-CG2 4.41Å; R20-C349 PolarHBondContact NE-O 3.07Å; R20-C349 PolarHBondContact NH2-O 3.05Å; R20-C349 VanDerWaalsContact NH2-O 3.08Å; R20-L352 WeakPolarHBondContact CD-O 3.32Å; R20-L352 PolarHBondContact NE-O 2.85Å |
| 21 | N | 97.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 119.3 | 171.1 | -53.6 | -59.6 | 0 | 0 | 0 | 108.5 | N113 T134 D135 G136 G461 | N21-N113 WeakPolarHBondContact OD1-CB 3.46Å; N21-N113 PolarHBondContact OD1-ND2 2.88Å; N21-T134 HydrophobicContact CB-CG2 4.43Å; N21-D135 PolarHBondContact ND2-OD2 2.7Å; N21-D135 PolarHBondContact O-N 3.49Å; N21-G136 PolarHBondContact O-N 3.49Å; N21-G136 VanDerWaalsContact O-N 3.15Å; N21-G461 PolarHBondContact ND2-O 2.75Å |
| 22 | M | 96.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 149.4 | -175.1 | 67.3 | 137.4 | -66.5 | 0 | 0 | 114.5 | V24 I112 N113 L114 I115 T134 G136 L138 I348 L352 | M22-V24 HydrophobicContact CE-CB 4.47Å; M22-V24 HydrophobicContact CE-CG2 3.58Å; M22-I112 HydrophobicContact CG-CG2 4.2Å; M22-N113 PolarHBondContact N-O 3.09Å; M22-L114 HydrophobicContact CE-CD1 4.36Å; M22-L114 HydrophobicContact CE-CG 4.42Å; M22-L114 CarbonylContact O-C 3.53Å; M22-L114 WeakPolarHBondContact O-CA 3.34Å; M22-L114 HydrophobicContact SD-CD1 4.48Å; M22-I115 PolarHBondContact O-N 3.16Å; M22-T134 VanDerWaalsContact C-CG2 3.46Å; M22-G136 WeakPolarHBondContact CA-O 3.49Å; M22-G136 WeakPolarHBondContact CB-O 3.41Å; M22-L138 HydrophobicContact CE-CB 3.64Å; M22-I348 HydrophobicContact SD-CD1 3.48Å; M22-I348 WeakPolarHBondContact SD-CD1 3.48Å; M22-I348 HydrophobicContact SD-CG1 3.8Å; M22-I348 HydrophobicContact SD-CG2 4.18Å; M22-L352 HydrophobicContact CB-CD1 3.67Å; M22-L352 HydrophobicContact CG-CD1 4.4Å; M22-L352 HydrophobicContact SD-CD1 4.38Å |
| 23 | S | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 141.2 | 173.3 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | I115 A130 T134 G136 A137 L138 | S23-I115 CarbonylContact C-O 3.52Å; S23-I115 VanDerWaalsContact CA-O 3.24Å; S23-I115 WeakPolarHBondContact CA-O 3.46Å; S23-A130 PolarHBondContact OG-O 3.21Å; S23-T134 WeakPolarHBondContact OG-CG2 3.36Å; S23-T134 PolarHBondContact OG-OG1 2.83Å; S23-G136 PolarHBondContact N-O 2.85Å; S23-A137 CarbonylContact O-C 3.52Å; S23-A137 VanDerWaalsContact O-CA 3.26Å; S23-A137 WeakPolarHBondContact O-CA 3.16Å; S23-L138 PolarHBondContact O-N 3.33Å |
| 24 | V | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 114.4 | 169.3 | -166.4 | 0 | 0 | 0 | 0 | 108.3 | M22 K32 L114 I115 S117 L138 V140 | M22-V24 HydrophobicContact CE-CB 4.47Å; M22-V24 HydrophobicContact CE-CG2 3.58Å; V24-K32 HydrophobicContact CB-CG 4.16Å; V24-K32 HydrophobicContact CG1-CD 4.48Å; V24-K32 HydrophobicContact CG1-CG 3.65Å; V24-L114 HydrophobicContact CG2-CD1 3.89Å; V24-L114 HydrophobicContact CG2-CD2 4.35Å; V24-L114 HydrophobicContact CG2-CG 4.11Å; V24-I115 PolarHBondContact N-O 2.89Å; V24-S117 PolarHBondContact O-OG 2.89Å; V24-L138 HydrophobicContact CG1-CB 4.43Å; V24-L138 HydrophobicContact CG1-CD2 4.28Å; V24-L138 HydrophobicContact CG1-CG 4.47Å; V24-L138 HydrophobicContact CG2-CD2 4.47Å; V24-V140 HydrophobicContact CG1-CG2 3.6Å |
| 25 | I | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 135.9 | -177.8 | 64 | -179.6 | 0 | 0 | 0 | 110.4 | V127 L131 A137 L138 V139 V140 V154 A158 | I25-V127 HydrophobicContact CG2-CG1 4.16Å; I25-L131 HydrophobicContact CG2-CD2 4.15Å; I25-A137 HydrophobicContact CD1-CB 3.69Å; I25-A137 HydrophobicContact CG1-CB 4.09Å; I25-L138 PolarHBondContact N-O 3.37Å; I25-V139 HydrophobicContact CD1-CG2 4.04Å; I25-V139 HydrophobicContact CG1-CB 4.46Å; I25-V139 HydrophobicContact CG1-CG2 4.05Å; I25-V139 CarbonylContact O-C 3.51Å; I25-V139 WeakPolarHBondContact O-CA 3.28Å; I25-V140 PolarHBondContact O-N 2.72Å; I25-V154 HydrophobicContact CB-CB 4.11Å; I25-V154 HydrophobicContact CB-CG2 3.85Å; I25-V154 HydrophobicContact CD1-CB 4.35Å; I25-V154 HydrophobicContact CD1-CG2 4.06Å; I25-V154 HydrophobicContact CG1-CG2 4.05Å; I25-A158 HydrophobicContact CD1-CB 3.82Å |
| 26 | A | 90.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 159.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | H30 K32 G119 V140 | A26-H30 HydrophobicContact CB-CB 4.17Å; A26-K32 HydrophobicContact CB-CB 3.85Å; A26-K32 HydrophobicContact CB-CD 4.3Å; A26-K32 HydrophobicContact CB-CG 4.25Å; A26-G119 WeakPolarHBondContact O-CA 3.43Å; A26-V140 HydrophobicContact CB-CB 3.8Å |
| 27 | H | 84.9 | Confident | 90.1 | Very high | 19 Ų | 19 | 11.4 Ų | 11.4 | 9% | 0.088 | 6% | 0.063 | C | C | . | . | trans | -69.7 | 158.8 | 162.2 | -178.8 | 98.8 | 0 | 0 | 0 | 110.3 | H30 C148 Q150 Q805 | H27-H30 AromaticContact CD2-CD2 3.65Å; H27-H30 AromaticContact CD2-NE2 3.44Å; H27-H30 PolarHBondContact CD2-NE2 3.49Å; H27-H30 AromaticContact CG-NE2 3.82Å; H27-H30 WeakPolarHBondContact O-CB 3.35Å; H27-H30 PolarHBondContact O-N 3.12Å; H27-C148 HydrophobicContact CB-CB 4.49Å; H27-C148 WeakPolarHBondContact CE1-CB 3.32Å; H27-C148 WeakPolarHBondContact ND1-CB 3.45Å; H27-Q150 HydrophobicContact CB-CB 4.08Å; H27-Q150 WeakPolarHBondContact ND1-CB 3.3Å; H27-Q805 PolarHBondContact CE1-NE2 3.36Å; H27-Q805 PolarHBondContact CE1-OE1 3.14Å; H27-Q805 PolarHBondContact ND1-NE2 3.45Å; H27-Q805 VanDerWaalsContact ND1-NE2 3.18Å; H27-Q805 PolarHBondContact ND1-OE1 3.46Å; H27-Q805 PolarHBondContact NE2-NE2 3.34Å | ||
| 28 | V | 81.1 | Confident | 89.5 | Confident | 24 Ų | 24 | 9.8 Ų | 9.8 | 15% | 0.145 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 144.7 | 174.2 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | H30 I68 G119 H120 | V28-H30 PolarHBondContact O-CD2 2.81Å; V28-H30 PolarHBondContact O-N 3.26Å; V28-I68 HydrophobicContact CG1-CG2 3.93Å; V28-G119 VanDerWaalsContact CG2-O 3.29Å; V28-G119 WeakPolarHBondContact CG2-O 3.41Å; V28-G119 PolarHBondContact N-O 3.37Å; V28-H120 HydrophobicContact CG2-CB 3.8Å |
| 29 | D | 80.7 | Confident | 89 | Confident | 89 Ų | 89 | 9.7 Ų | 9.7 | 48% | 0.476 | 6% | 0.057 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 4.6 | 179.2 | -66.2 | -32 | 0 | 0 | 0 | 117.1 | G31 K171 | D29-G31 PolarHBondContact O-N 3.41Å; D29-K171 WeakPolarHBondContact O-CE 3.21Å; D29-K171 PolarHBondContact O-NZ 2.93Å |
| 30 | H | 89 | Confident | 88.3 | Confident | 3 Ų | 3 | 9.7 Ų | 9.7 | 1% | 0.014 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -70.7 | 2.3 | 173.2 | -76.1 | -157.4 | 0 | 0 | 0 | 113.7 | A26 H27 V28 V140 V141 D142 G146 N170 | A26-H30 HydrophobicContact CB-CB 4.17Å; H27-H30 AromaticContact CD2-CD2 3.65Å; H27-H30 AromaticContact CD2-NE2 3.44Å; H27-H30 PolarHBondContact CD2-NE2 3.49Å; H27-H30 AromaticContact CG-NE2 3.82Å; H27-H30 WeakPolarHBondContact O-CB 3.35Å; H27-H30 PolarHBondContact O-N 3.12Å; V28-H30 PolarHBondContact O-CD2 2.81Å; V28-H30 PolarHBondContact O-N 3.26Å; H30-V140 HydrophobicContact CB-CG1 4.5Å; H30-V140 PolarHBondContact ND1-O 3.01Å; H30-V141 WeakPolarHBondContact ND1-CA 3.09Å; H30-D142 PolarHBondContact ND1-N 2.82Å; H30-G146 PolarHBondContact CE1-O 3.37Å; H30-N170 PolarHBondContact O-ND2 3.03Å |
| 31 | G | 86.6 | Confident | 87.4 | Confident | 17 Ų | 17 | 10.4 Ų | 10.4 | 18% | 0.175 | 6% | 0.062 | C | C | . | . | S | Bend | trans | 82.1 | 28.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D29 L35 N170 | D29-G31 PolarHBondContact O-N 3.41Å; G31-L35 WeakPolarHBondContact O-CB 3.4Å; G31-L35 PolarHBondContact O-N 3.21Å; G31-N170 WeakPolarHBondContact CA-ND2 3.33Å; G31-N170 PolarHBondContact O-ND2 3.21Å |
| 32 | K | 89 | Confident | 86.6 | Confident | 13 Ų | 13 | 14.6 Ų | 14.6 | 6% | 0.057 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -53.7 | -60.7 | 177.6 | -179 | -168.2 | 65.8 | 79.8 | 0 | 113.1 | V24 A26 T34 L35 T36 T69 D116 S117 | V24-K32 HydrophobicContact CB-CG 4.16Å; V24-K32 HydrophobicContact CG1-CD 4.48Å; V24-K32 HydrophobicContact CG1-CG 3.65Å; A26-K32 HydrophobicContact CB-CB 3.85Å; A26-K32 HydrophobicContact CB-CD 4.3Å; A26-K32 HydrophobicContact CB-CG 4.25Å; K32-T34 VanDerWaalsContact C-N 3.3Å; K32-T34 PolarHBondContact O-N 3.19Å; K32-L35 CarbonylContact O-C 3.57Å; K32-L35 WeakPolarHBondContact O-CA 3.41Å; K32-L35 VanDerWaalsContact O-CB 3.32Å; K32-L35 WeakPolarHBondContact O-CB 3.4Å; K32-L35 PolarHBondContact O-N 3.48Å; K32-T36 PolarHBondContact O-N 2.88Å; K32-T36 PolarHBondContact O-OG1 3.22Å; K32-T69 PolarHBondContact NZ-OG1 3.23Å; K32-D116 IonicContact NZ-OD1 3.34Å; K32-D116 PolarHBondContact NZ-OD1 3.42Å; K32-D116 IonicContact NZ-OD2 2.78Å; K32-D116 PolarHBondContact NZ-OD2 3.49Å; K32-S117 WeakPolarHBondContact CD-O 3.35Å; K32-S117 WeakPolarHBondContact CE-O 3.4Å; K32-S117 PolarHBondContact NZ-O 3.04Å |
| 33 | S | 84.7 | Confident | 85.6 | Confident | 8 Ų | 8 | 14.8 Ų | 14.8 | 6% | 0.056 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.9 | -38.3 | -176.5 | -42.2 | 0 | 0 | 0 | 0 | 112 | L35 T36 D37 T69 | S33-L35 VanDerWaalsContact C-N 3.28Å; S33-L35 PolarHBondContact O-N 2.98Å; S33-T36 PolarHBondContact O-N 3.25Å; S33-D37 PolarHBondContact O-N 3.43Å; S33-T69 PolarHBondContact OG-OG1 3.08Å |
| 34 | T | 86.5 | Confident | 84.3 | Confident | 16 Ų | 16 | 15.6 Ų | 15.6 | 10% | 0.098 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61 | -36.9 | 173 | -55.9 | 0 | 0 | 0 | 0 | 112.2 | K32 S38 L229 | K32-T34 VanDerWaalsContact C-N 3.3Å; K32-T34 PolarHBondContact O-N 3.19Å; T34-S38 PolarHBondContact O-N 2.94Å; T34-S38 PolarHBondContact O-OG 3.15Å; T34-L229 HydrophobicContact CG2-CB 4.31Å |
| 35 | L | 87.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -73.1 | -42.6 | 176.5 | -163.1 | 70.9 | 0 | 0 | 0 | 111.5 | G31 K32 S33 D37 S38 L39 L138 V140 F168 M344 | G31-L35 WeakPolarHBondContact O-CB 3.4Å; G31-L35 PolarHBondContact O-N 3.21Å; K32-L35 CarbonylContact O-C 3.57Å; K32-L35 WeakPolarHBondContact O-CA 3.41Å; K32-L35 VanDerWaalsContact O-CB 3.32Å; K32-L35 WeakPolarHBondContact O-CB 3.4Å; K32-L35 PolarHBondContact O-N 3.48Å; S33-L35 VanDerWaalsContact C-N 3.28Å; S33-L35 PolarHBondContact O-N 2.98Å; L35-D37 VanDerWaalsContact C-N 3.3Å; L35-D37 PolarHBondContact O-N 3.37Å; L35-S38 VanDerWaalsContact O-CB 3.31Å; L35-S38 WeakPolarHBondContact O-CB 3.31Å; L35-S38 PolarHBondContact O-N 2.77Å; L35-L39 PolarHBondContact O-N 3.24Å; L35-L138 HydrophobicContact CD2-CD2 4.07Å; L35-V140 HydrophobicContact CD2-CG1 4.09Å; L35-V140 HydrophobicContact CD2-CG2 3.58Å; L35-F168 HydrophobicContact CD1-CD1 3.98Å; L35-F168 HydrophobicContact CD1-CE1 3.42Å; L35-F168 VanDerWaalsContact CD1-CE1 3.42Å; L35-F168 HydrophobicContact CD1-CE2 4.49Å; L35-F168 HydrophobicContact CD1-CZ 3.71Å; L35-F168 HydrophobicContact CD2-CB 4.41Å; L35-F168 HydrophobicContact CD2-CD1 3.51Å; L35-F168 HydrophobicContact CD2-CE1 3.89Å; L35-F168 HydrophobicContact CD2-CG 3.93Å; L35-F168 HydrophobicContact CG-CD1 4.41Å; L35-F168 HydrophobicContact CG-CE1 4.31Å; L35-M344 HydrophobicContact CD1-CE 3.83Å; L35-M344 HydrophobicContact CD1-SD 3.39Å; L35-M344 WeakPolarHBondContact CD1-SD 3.31Å; L35-M344 HydrophobicContact CD2-SD 3.76Å; L35-M344 HydrophobicContact CG-CE 4.05Å; L35-M344 HydrophobicContact CG-SD 3.43Å; L35-M344 WeakPolarHBondContact CG-SD 3.1Å |
| 36 | T | 86.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.9 | -41.9 | 175 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | K32 S33 S38 L39 V40 T57 L114 D116 | K32-T36 PolarHBondContact O-N 2.88Å; K32-T36 PolarHBondContact O-OG1 3.22Å; S33-T36 PolarHBondContact O-N 3.25Å; T36-S38 VanDerWaalsContact C-N 3.26Å; T36-S38 PolarHBondContact O-N 3.19Å; T36-L39 WeakPolarHBondContact O-CB 3.35Å; T36-L39 PolarHBondContact O-N 3.45Å; T36-L39 VanDerWaalsContact O-N 3.08Å; T36-V40 HydrophobicContact CG2-CG2 4.2Å; T36-V40 WeakPolarHBondContact O-CG2 3.45Å; T36-V40 PolarHBondContact O-N 3.35Å; T36-T57 HydrophobicContact CG2-CG2 3.68Å; T36-L114 HydrophobicContact CG2-CD1 4.26Å; T36-L114 HydrophobicContact CG2-CD2 3.6Å; T36-D116 HydrophobicContact CG2-CB 4.13Å; T36-D116 PolarHBondContact OG1-OD1 2.83Å; T36-D116 VanDerWaalsContact OG1-OD1 3.05Å |
| 37 | D | 82.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.8 | -38.3 | 173.2 | -87.3 | 5.8 | 0 | 0 | 0 | 113.4 | S33 L35 L39 V40 S41 G52 R55 F56 | S33-D37 PolarHBondContact O-N 3.43Å; L35-D37 VanDerWaalsContact C-N 3.3Å; L35-D37 PolarHBondContact O-N 3.37Å; D37-L39 VanDerWaalsContact C-N 3.28Å; D37-L39 PolarHBondContact O-N 3.4Å; D37-V40 PolarHBondContact O-N 3.01Å; D37-S41 WeakPolarHBondContact O-CB 3.19Å; D37-S41 PolarHBondContact O-N 3.03Å; D37-G52 PolarHBondContact OD2-N 2.99Å; D37-G52 VanDerWaalsContact OD2-N 3.16Å; D37-R55 WeakPolarHBondContact OD1-CA 3.38Å; D37-R55 WeakPolarHBondContact OD2-CA 3.43Å; D37-R55 PolarHBondContact OD2-N 3.13Å; D37-F56 PolarHBondContact OD1-N 3.08Å |
| 38 | S | 82.4 | Confident | 78.3 | Confident | 12 Ų | 12 | 23.1 Ų | 23.1 | 8% | 0.084 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.3 | -33.3 | 179 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | T34 L35 T36 K42 | T34-S38 PolarHBondContact O-N 2.94Å; T34-S38 PolarHBondContact O-OG 3.15Å; L35-S38 VanDerWaalsContact O-CB 3.31Å; L35-S38 WeakPolarHBondContact O-CB 3.31Å; L35-S38 PolarHBondContact O-N 2.77Å; T36-S38 VanDerWaalsContact C-N 3.26Å; T36-S38 PolarHBondContact O-N 3.19Å; S38-K42 PolarHBondContact O-N 3.29Å |
| 39 | L | 85.6 | Confident | 77 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71 | -51.2 | 173.6 | -65.4 | 170.1 | 0 | 0 | 0 | 111.3 | L35 T36 D37 S41 K42 A43 M77 L114 L138 M344 L345 I348 | L35-L39 PolarHBondContact O-N 3.24Å; T36-L39 WeakPolarHBondContact O-CB 3.35Å; T36-L39 PolarHBondContact O-N 3.45Å; T36-L39 VanDerWaalsContact O-N 3.08Å; D37-L39 VanDerWaalsContact C-N 3.28Å; D37-L39 PolarHBondContact O-N 3.4Å; L39-S41 VanDerWaalsContact C-N 3.29Å; L39-S41 PolarHBondContact O-N 3.37Å; L39-K42 PolarHBondContact O-N 3.46Å; L39-K42 VanDerWaalsContact O-N 3.1Å; L39-A43 PolarHBondContact O-N 3.21Å; L39-A43 VanDerWaalsContact O-N 3.12Å; L39-M77 HydrophobicContact CB-CE 4.27Å; L39-M77 HydrophobicContact CB-SD 4.16Å; L39-L114 HydrophobicContact CB-CD1 4.42Å; L39-L114 HydrophobicContact CD1-CD1 3.49Å; L39-L114 VanDerWaalsContact CD1-CD1 3.49Å; L39-L138 HydrophobicContact CD1-CD2 4.41Å; L39-M344 HydrophobicContact CD2-CB 3.54Å; L39-M344 HydrophobicContact CD2-CE 3.67Å; L39-M344 HydrophobicContact CD2-CG 4.48Å; L39-M344 HydrophobicContact CD2-SD 4.18Å; L39-M344 HydrophobicContact CG-CE 3.74Å; L39-M344 HydrophobicContact CG-SD 4.34Å; L39-L345 HydrophobicContact CD2-CD2 3.75Å; L39-L345 HydrophobicContact CD2-CG 3.76Å; L39-I348 HydrophobicContact CD1-CD1 4.43Å; L39-I348 HydrophobicContact CD2-CD1 4.29Å |
| 40 | V | 82.1 | Confident | 75.9 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.4 | -35.5 | -177 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | T36 D37 A43 I45 I46 F56 V75 M77 | T36-V40 HydrophobicContact CG2-CG2 4.2Å; T36-V40 WeakPolarHBondContact O-CG2 3.45Å; T36-V40 PolarHBondContact O-N 3.35Å; D37-V40 PolarHBondContact O-N 3.01Å; V40-A43 PolarHBondContact O-N 3.28Å; V40-I45 HydrophobicContact CG1-CB 3.57Å; V40-I45 HydrophobicContact CG1-CD1 4.03Å; V40-I45 HydrophobicContact CG1-CG1 4.37Å; V40-I45 HydrophobicContact CG1-CG2 3.65Å; V40-I45 PolarHBondContact O-N 3.21Å; V40-I46 HydrophobicContact CB-CD1 3.73Å; V40-I46 HydrophobicContact CG1-CD1 3.35Å; V40-I46 HydrophobicContact CG1-CG1 3.77Å; V40-F56 HydrophobicContact CG1-CD1 3.95Å; V40-F56 HydrophobicContact CG1-CE1 4.2Å; V40-V75 HydrophobicContact CG2-CG1 4.41Å; V40-M77 HydrophobicContact CG2-SD 4.21Å |
| 41 | S | 79.8 | Confident | 74.2 | Confident | 16 Ų | 16 | 32.4 Ų | 32.4 | 11% | 0.112 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66 | -40 | 173.8 | -176.4 | 0 | 0 | 0 | 0 | 112.7 | D37 L39 A43 G44 I46 A48 A51 | D37-S41 WeakPolarHBondContact O-CB 3.19Å; D37-S41 PolarHBondContact O-N 3.03Å; L39-S41 VanDerWaalsContact C-N 3.29Å; L39-S41 PolarHBondContact O-N 3.37Å; S41-A43 VanDerWaalsContact C-N 3.26Å; S41-A43 PolarHBondContact O-N 3.44Å; S41-G44 PolarHBondContact O-N 3.16Å; S41-I46 WeakPolarHBondContact CA-O 3.47Å; S41-I46 PolarHBondContact OG-O 3.21Å; S41-A48 WeakPolarHBondContact OG-CA 3.28Å; S41-A48 PolarHBondContact OG-N 3.42Å; S41-A51 VanDerWaalsContact CB-CB 3.48Å |
| 42 | K | 79.7 | Confident | 72.7 | Confident | 89 Ų | 89 | 31.9 Ų | 31.9 | 39% | 0.387 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.9 | -32.3 | 176.9 | -178.9 | 61.8 | -173 | -158.9 | 0 | 112.2 | S38 L39 G44 D342 L345 | S38-K42 PolarHBondContact O-N 3.29Å; L39-K42 PolarHBondContact O-N 3.46Å; L39-K42 VanDerWaalsContact O-N 3.1Å; K42-G44 PolarHBondContact O-N 3.15Å; K42-D342 WeakPolarHBondContact CD-OD2 3.45Å; K42-D342 VanDerWaalsContact CE-CG 3.43Å; K42-D342 WeakPolarHBondContact CE-OD1 3.46Å; K42-D342 WeakPolarHBondContact CE-OD2 3.49Å; K42-D342 IonicContact NZ-OD1 2.76Å; K42-D342 PolarHBondContact NZ-OD1 2.84Å; K42-D342 IonicContact NZ-OD2 3.27Å; K42-D342 PolarHBondContact NZ-OD2 2.7Å; K42-L345 HydrophobicContact CB-CD1 4.13Å; K42-L345 HydrophobicContact CG-CD1 3.72Å |
| 43 | A | 74.7 | Confident | 71.2 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 3% | 0.033 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -2.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L39 V40 S41 I45 M77 | L39-A43 PolarHBondContact O-N 3.21Å; L39-A43 VanDerWaalsContact O-N 3.12Å; V40-A43 PolarHBondContact O-N 3.28Å; S41-A43 VanDerWaalsContact C-N 3.26Å; S41-A43 PolarHBondContact O-N 3.44Å; A43-I45 VanDerWaalsContact C-N 3.31Å; A43-I45 HydrophobicContact CB-CD1 4.14Å; A43-I45 HydrophobicContact CB-CG1 4.31Å; A43-I45 PolarHBondContact O-N 3.49Å; A43-M77 HydrophobicContact CB-CB 3.78Å; A43-M77 HydrophobicContact CB-CG 3.66Å; A43-M77 HydrophobicContact CB-SD 3.95Å |
| 44 | G | 69.7 | Low | 69.8 | Low | 17 Ų | 17 | 41.2 Ų | 41.2 | 18% | 0.175 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 8.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | S41 K42 | S41-G44 PolarHBondContact O-N 3.16Å; K42-G44 PolarHBondContact O-N 3.15Å |
| 45 | I | 64.4 | Low | 68.7 | Low | 35 Ų | 35 | 43 Ų | 43 | 18% | 0.179 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -77.7 | -34.2 | 179.9 | -61 | 167.7 | 0 | 0 | 0 | 110.6 | V2 F4 V40 A43 F56 V75 M77 M448 | V2-I45 HydrophobicContact CG1-CG1 3.9Å; F4-I45 HydrophobicContact CZ-CD1 4.38Å; F4-I45 HydrophobicContact CZ-CG1 4.49Å; V40-I45 HydrophobicContact CG1-CB 3.57Å; V40-I45 HydrophobicContact CG1-CD1 4.03Å; V40-I45 HydrophobicContact CG1-CG1 4.37Å; V40-I45 HydrophobicContact CG1-CG2 3.65Å; V40-I45 PolarHBondContact O-N 3.21Å; A43-I45 VanDerWaalsContact C-N 3.31Å; A43-I45 HydrophobicContact CB-CD1 4.14Å; A43-I45 HydrophobicContact CB-CG1 4.31Å; A43-I45 PolarHBondContact O-N 3.49Å; I45-F56 HydrophobicContact CG2-CE1 4.02Å; I45-F56 HydrophobicContact CG2-CZ 3.85Å; I45-V75 HydrophobicContact CD1-CG1 3.51Å; I45-M77 HydrophobicContact CD1-CG 4.19Å; I45-M448 HydrophobicContact CD1-CE 3.9Å |
| 46 | I | 60.1 | Low | 67.3 | Low | 14 Ų | 14 | 43.7 Ų | 43.7 | 7% | 0.072 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -124.2 | 144.1 | 178.1 | -51.4 | 153.2 | 0 | 0 | 0 | 110.3 | V40 S41 A48 K50 M54 F56 | V40-I46 HydrophobicContact CB-CD1 3.73Å; V40-I46 HydrophobicContact CG1-CD1 3.35Å; V40-I46 HydrophobicContact CG1-CG1 3.77Å; S41-I46 WeakPolarHBondContact CA-O 3.47Å; S41-I46 PolarHBondContact OG-O 3.21Å; I46-A48 PolarHBondContact O-N 3.39Å; I46-K50 HydrophobicContact CG2-CB 4.38Å; I46-M54 HydrophobicContact CG2-CE 4.12Å; I46-M54 HydrophobicContact CG2-SD 4.01Å; I46-F56 HydrophobicContact CD1-CB 3.19Å; I46-F56 HydrophobicContact CD1-CD1 3.96Å; I46-F56 HydrophobicContact CD1-CD2 3.94Å; I46-F56 HydrophobicContact CD1-CG 3.44Å; I46-F56 VanDerWaalsContact CD1-CG 3.44Å; I46-F56 HydrophobicContact CG1-CB 3.96Å; I46-F56 HydrophobicContact CG1-CD1 4.32Å; I46-F56 HydrophobicContact CG1-CD2 3.72Å; I46-F56 HydrophobicContact CG1-CE2 4.26Å; I46-F56 HydrophobicContact CG1-CG 3.75Å |
| 47 | A | 56.8 | Low | 66.5 | Low | 62 Ų | 62 | 43.7 Ų | 43.7 | 51% | 0.512 | 23% | 0.234 | S | C | . | . | trans | -61.2 | 130.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q49 K50 A51 | A47-Q49 PolarHBondContact O-N 3.33Å; A47-Q49 VanDerWaalsContact O-N 3.11Å; A47-K50 PolarHBondContact O-N 2.93Å; A47-A51 PolarHBondContact O-N 3.35Å | ||
| 48 | A | 56.3 | Low | 65.9 | Low | 67 Ų | 67 | 43.7 Ų | 43.7 | 55% | 0.554 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -28.9 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | S41 I46 K50 A51 | S41-A48 WeakPolarHBondContact OG-CA 3.28Å; S41-A48 PolarHBondContact OG-N 3.42Å; I46-A48 PolarHBondContact O-N 3.39Å; A48-K50 VanDerWaalsContact C-N 3.3Å; A48-K50 PolarHBondContact O-N 3.44Å; A48-A51 PolarHBondContact O-N 2.78Å |
| 49 | Q | 52.7 | Low | 65.1 | Low | 177 Ų | 177 | 45.7 Ų | 45.7 | 83% | 0.827 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -27.6 | 176.1 | -72.4 | 178.1 | -11.1 | 0 | 0 | 113 | A47 | A47-Q49 PolarHBondContact O-N 3.33Å; A47-Q49 VanDerWaalsContact O-N 3.11Å |
| 50 | K | 57.1 | Low | 64.5 | Low | 122 Ų | 122 | 47.8 Ų | 47.8 | 53% | 0.53 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -6 | -179.7 | -56.9 | -171.3 | 178 | -176.5 | 0 | 113.2 | I46 A47 A48 G52 E53 M54 | I46-K50 HydrophobicContact CG2-CB 4.38Å; A47-K50 PolarHBondContact O-N 2.93Å; A48-K50 VanDerWaalsContact C-N 3.3Å; A48-K50 PolarHBondContact O-N 3.44Å; K50-G52 PolarHBondContact O-N 3.08Å; K50-E53 PolarHBondContact O-N 3.46Å; K50-M54 HydrophobicContact CB-CB 4.47Å; K50-M54 HydrophobicContact CB-CE 3.69Å; K50-M54 HydrophobicContact CD-CE 3.31Å; K50-M54 HydrophobicContact CG-CE 4.13Å; K50-M54 WeakPolarHBondContact O-CB 3.29Å; K50-M54 PolarHBondContact O-N 3.09Å; K50-M54 VanDerWaalsContact O-N 3.08Å |
| 51 | A | 54 | Low | 64 | Low | 11 Ų | 11 | 54.7 Ų | 54.7 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 127.6 | -179 | 0 | 0 | 0 | 0 | 0 | 111.1 | S41 A47 A48 | S41-A51 VanDerWaalsContact CB-CB 3.48Å; A47-A51 PolarHBondContact O-N 3.35Å; A48-A51 PolarHBondContact O-N 2.78Å |
| 52 | G | 54.6 | Low | 63.7 | Low | 6 Ų | 6 | 54.2 Ų | 54.2 | 6% | 0.062 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.6 | -21.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | D37 K50 | D37-G52 PolarHBondContact OD2-N 2.99Å; D37-G52 VanDerWaalsContact OD2-N 3.16Å; K50-G52 PolarHBondContact O-N 3.08Å |
| 53 | E | 57.6 | Low | 63.4 | Low | 152 Ų | 152 | 50 Ų | 50 | 71% | 0.71 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -35.6 | 174 | -68 | 178.8 | -174.8 | 0 | 0 | 112.2 | K50 | K50-E53 PolarHBondContact O-N 3.46Š|
| 54 | M | 55.9 | Low | 63 | Low | 66 Ų | 66 | 53.9 Ų | 53.9 | 33% | 0.325 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -70.2 | -34.1 | -173.8 | -174.5 | 179 | -68.3 | 0 | 0 | 113.5 | I46 K50 F56 | I46-M54 HydrophobicContact CG2-CE 4.12Å; I46-M54 HydrophobicContact CG2-SD 4.01Å; K50-M54 HydrophobicContact CB-CB 4.47Å; K50-M54 HydrophobicContact CB-CE 3.69Å; K50-M54 HydrophobicContact CD-CE 3.31Å; K50-M54 HydrophobicContact CG-CE 4.13Å; K50-M54 WeakPolarHBondContact O-CB 3.29Å; K50-M54 PolarHBondContact O-N 3.09Å; K50-M54 VanDerWaalsContact O-N 3.08Å; M54-F56 HydrophobicContact SD-CB 4.36Å; M54-F56 HydrophobicContact SD-CD2 4.09Å |
| 55 | R | 63 | Low | 63 | Low | 54 Ų | 54 | 58.4 Ų | 58.4 | 20% | 0.204 | 30% | 0.296 | C | S | . | . | trans | 48 | 62.6 | -169.4 | -55.5 | -176.6 | 179.3 | -149.6 | 4.4 | 110.6 | D37 T57 D58 C67 | D37-R55 WeakPolarHBondContact OD1-CA 3.38Å; D37-R55 WeakPolarHBondContact OD2-CA 3.43Å; D37-R55 PolarHBondContact OD2-N 3.13Å; R55-T57 PolarHBondContact O-N 2.92Å; R55-T57 VanDerWaalsContact O-N 3.16Å; R55-D58 HydrophobicContact CB-CB 3.97Å; R55-D58 WeakPolarHBondContact CB-OD2 3.43Å; R55-D58 VanDerWaalsContact CD-OD2 3.29Å; R55-D58 WeakPolarHBondContact CD-OD2 3Å; R55-D58 IonicContact NH1-OD2 3.86Å; R55-D58 WeakPolarHBondContact O-CA 3.1Å; R55-D58 WeakPolarHBondContact O-CB 3.34Å; R55-D58 PolarHBondContact O-N 3.11Å; R55-C67 VanDerWaalsContact NH1-CB 3.26Å; R55-C67 PolarHBondContact NH1-O 2.9Å | ||
| 56 | F | 58.5 | Low | 63.1 | Low | 14 Ų | 14 | 60.6 Ų | 60.6 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -34.8 | -169.5 | 174.3 | -97.4 | 0 | 0 | 0 | 114 | D37 V40 I45 I46 M54 D58 | D37-F56 PolarHBondContact OD1-N 3.08Å; V40-F56 HydrophobicContact CG1-CD1 3.95Å; V40-F56 HydrophobicContact CG1-CE1 4.2Å; I45-F56 HydrophobicContact CG2-CE1 4.02Å; I45-F56 HydrophobicContact CG2-CZ 3.85Å; I46-F56 HydrophobicContact CD1-CB 3.19Å; I46-F56 HydrophobicContact CD1-CD1 3.96Å; I46-F56 HydrophobicContact CD1-CD2 3.94Å; I46-F56 HydrophobicContact CD1-CG 3.44Å; I46-F56 VanDerWaalsContact CD1-CG 3.44Å; I46-F56 HydrophobicContact CG1-CB 3.96Å; I46-F56 HydrophobicContact CG1-CD1 4.32Å; I46-F56 HydrophobicContact CG1-CD2 3.72Å; I46-F56 HydrophobicContact CG1-CE2 4.26Å; I46-F56 HydrophobicContact CG1-CG 3.75Å; M54-F56 HydrophobicContact SD-CB 4.36Å; M54-F56 HydrophobicContact SD-CD2 4.09Å; F56-D58 VanDerWaalsContact C-N 3.29Å |
| 57 | T | 68.8 | Low | 63.4 | Low | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -19 | 176.6 | 49.3 | 0 | 0 | 0 | 0 | 113.7 | T36 R55 T59 T73 V75 D116 | T36-T57 HydrophobicContact CG2-CG2 3.68Å; R55-T57 PolarHBondContact O-N 2.92Å; R55-T57 VanDerWaalsContact O-N 3.16Å; T57-T59 VanDerWaalsContact C-N 3.3Å; T57-T59 PolarHBondContact O-N 3.34Å; T57-T73 HydrophobicContact CG2-CG2 4.34Å; T57-T73 PolarHBondContact O-OG1 2.8Å; T57-V75 HydrophobicContact CG2-CG2 4.38Å; T57-D116 WeakPolarHBondContact CB-OD2 3.26Å; T57-D116 HydrophobicContact CG2-CB 4.02Å; T57-D116 PolarHBondContact OG1-OD2 3.49Å |
| 58 | D | 70.8 | Confident | 64 | Low | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -79.6 | 83.5 | 168.4 | -65 | -13.2 | 0 | 0 | 0 | 107.4 | R55 F56 R60 E63 Q64 T69 R450 | R55-D58 HydrophobicContact CB-CB 3.97Å; R55-D58 WeakPolarHBondContact CB-OD2 3.43Å; R55-D58 VanDerWaalsContact CD-OD2 3.29Å; R55-D58 WeakPolarHBondContact CD-OD2 3Å; R55-D58 IonicContact NH1-OD2 3.86Å; R55-D58 WeakPolarHBondContact O-CA 3.1Å; R55-D58 WeakPolarHBondContact O-CB 3.34Å; R55-D58 PolarHBondContact O-N 3.11Å; F56-D58 VanDerWaalsContact C-N 3.29Å; D58-R60 VanDerWaalsContact C-N 3.32Å; D58-E63 WeakPolarHBondContact CA-OE2 3.34Å; D58-E63 HydrophobicContact CB-CB 3.76Å; D58-Q64 HydrophobicContact CB-CG 4.33Å; D58-Q64 PolarHBondContact O-NE2 3.02Å; D58-T69 WeakPolarHBondContact OD1-CB 3.25Å; D58-T69 PolarHBondContact OD1-OG1 3.01Å; D58-R450 PolarHBondContact O-NH2 3.38Å | ||
| 59 | T | 65.8 | Low | 64.6 | Low | 54 Ų | 54 | 57.5 Ų | 57.5 | 33% | 0.331 | 27% | 0.271 | S | S | . | . | trans | -78 | -21.3 | -174.8 | 63.5 | 0 | 0 | 0 | 0 | 112.4 | T57 E63 T73 R450 | T57-T59 VanDerWaalsContact C-N 3.3Å; T57-T59 PolarHBondContact O-N 3.34Å; T59-E63 PolarHBondContact N-OE2 3.35Å; T59-T73 HydrophobicContact CG2-CG2 4.4Å; T59-R450 HydrophobicContact CG2-CG 3.49Å; T59-R450 VanDerWaalsContact CG2-CG 3.49Å | ||
| 60 | R | 71.2 | Confident | 64.7 | Low | 43 Ų | 43 | 49.1 Ų | 49.1 | 16% | 0.162 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -95.4 | 154.2 | -175.2 | -52.8 | 166.8 | 50.4 | 114.1 | -3.5 | 111.9 | D58 D62 E63 Q64 D554 | D58-R60 VanDerWaalsContact C-N 3.32Å; R60-D62 WeakPolarHBondContact CB-OD1 3.17Å; R60-D62 IonicContact CZ-OD1 3.73Å; R60-D62 IonicContact CZ-OD2 3.9Å; R60-D62 IonicContact NE-OD1 2.85Å; R60-D62 PolarHBondContact NE-OD1 3.16Å; R60-D62 VanDerWaalsContact NE-OD1 3.08Å; R60-D62 IonicContact NE-OD2 3.23Å; R60-D62 IonicContact NH2-OD1 3.07Å; R60-D62 IonicContact NH2-OD2 3.36Å; R60-D62 PolarHBondContact NH2-OD2 2.92Å; R60-E63 HydrophobicContact CB-CB 4.28Å; R60-E63 HydrophobicContact CB-CG 3.88Å; R60-E63 WeakPolarHBondContact CB-OE2 3.32Å; R60-E63 HydrophobicContact CG-CG 4.37Å; R60-E63 WeakPolarHBondContact CG-OE2 3.37Å; R60-E63 PolarHBondContact N-OE2 3.4Å; R60-Q64 WeakPolarHBondContact O-CG 3.42Å; R60-Q64 PolarHBondContact O-N 2.91Å; R60-D554 IonicContact CZ-OD1 2.68Å; R60-D554 IonicContact CZ-OD2 2.84Å; R60-D554 IonicContact NH1-OD1 3.77Å; R60-D554 PolarHBondContact NH1-OD1 2.79Å; R60-D554 IonicContact NH1-OD2 2.74Å; R60-D554 PolarHBondContact NH1-OD2 2.85Å; R60-D554 IonicContact NH2-OD1 2.81Å; R60-D554 PolarHBondContact NH2-OD1 3.1Å; R60-D554 IonicContact NH2-OD2 3.05Å; R60-D554 PolarHBondContact NH2-OD2 3.32Å |
| 61 | K | 71.7 | Confident | 65.5 | Low | 146 Ų | 146 | 44.5 Ų | 44.5 | 64% | 0.635 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -69.1 | -39.4 | -178.6 | -166.3 | -170.4 | -178.9 | -131.7 | 0 | 112.1 | Q64 E65 | K61-Q64 PolarHBondContact O-N 3.16Å; K61-E65 WeakPolarHBondContact CD-OE1 3.13Å; K61-E65 WeakPolarHBondContact CE-OE1 3.33Å; K61-E65 IonicContact NZ-OE1 3.71Å; K61-E65 PolarHBondContact NZ-OE1 3.12Å; K61-E65 WeakPolarHBondContact O-CB 3.38Å; K61-E65 VanDerWaalsContact O-CG 3.29Å; K61-E65 WeakPolarHBondContact O-CG 3.16Å; K61-E65 PolarHBondContact O-N 2.96Å |
| 62 | D | 73.3 | Confident | 66.4 | Low | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.032 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.7 | -36.7 | 176.6 | 54 | -8.7 | 0 | 0 | 0 | 112.8 | R60 Q64 E65 R66 I70 | R60-D62 WeakPolarHBondContact CB-OD1 3.17Å; R60-D62 IonicContact CZ-OD1 3.73Å; R60-D62 IonicContact CZ-OD2 3.9Å; R60-D62 IonicContact NE-OD1 2.85Å; R60-D62 PolarHBondContact NE-OD1 3.16Å; R60-D62 VanDerWaalsContact NE-OD1 3.08Å; R60-D62 IonicContact NE-OD2 3.23Å; R60-D62 IonicContact NH2-OD1 3.07Å; R60-D62 IonicContact NH2-OD2 3.36Å; R60-D62 PolarHBondContact NH2-OD2 2.92Å; D62-Q64 VanDerWaalsContact C-N 3.31Å; D62-Q64 PolarHBondContact O-N 3.34Å; D62-E65 PolarHBondContact O-N 3.04Å; D62-R66 VanDerWaalsContact O-CB 3.26Å; D62-R66 WeakPolarHBondContact O-CB 3.46Å; D62-R66 WeakPolarHBondContact O-CG 3.35Å; D62-R66 PolarHBondContact O-N 2.96Å; D62-I70 HydrophobicContact CB-CD1 4.32Å |
| 63 | E | 74.5 | Confident | 67.5 | Low | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.1 | -45.3 | 171.8 | -68.4 | 177.4 | 143.6 | 0 | 0 | 111.2 | D58 T59 R60 C67 I68 I70 K71 | D58-E63 WeakPolarHBondContact CA-OE2 3.34Å; D58-E63 HydrophobicContact CB-CB 3.76Å; T59-E63 PolarHBondContact N-OE2 3.35Å; R60-E63 HydrophobicContact CB-CB 4.28Å; R60-E63 HydrophobicContact CB-CG 3.88Å; R60-E63 WeakPolarHBondContact CB-OE2 3.32Å; R60-E63 HydrophobicContact CG-CG 4.37Å; R60-E63 WeakPolarHBondContact CG-OE2 3.37Å; R60-E63 PolarHBondContact N-OE2 3.4Å; E63-C67 VanDerWaalsContact O-CA 3.29Å; E63-C67 WeakPolarHBondContact O-CA 3.39Å; E63-C67 PolarHBondContact O-N 3.22Å; E63-I68 WeakPolarHBondContact CA-O 3.45Å; E63-I68 VanDerWaalsContact CB-O 3.26Å; E63-I68 WeakPolarHBondContact CB-O 3.07Å; E63-I68 WeakPolarHBondContact CG-O 3.46Å; E63-I68 PolarHBondContact O-N 2.98Å; E63-I70 HydrophobicContact CG-CB 3.77Å; E63-I70 HydrophobicContact CG-CD1 3.75Å; E63-I70 HydrophobicContact CG-CG1 3.78Å; E63-I70 WeakPolarHBondContact OE1-CA 3.43Å; E63-I70 PolarHBondContact OE1-N 3.07Å; E63-K71 PolarHBondContact OE1-N 2.83Å |
| 64 | Q | 67.2 | Low | 68.8 | Low | 85 Ų | 85 | 38 Ų | 38 | 40% | 0.397 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -67.4 | -45.1 | 177.4 | -68.3 | 166.9 | 19.1 | 0 | 0 | 112.2 | D58 R60 K61 D62 C67 | D58-Q64 HydrophobicContact CB-CG 4.33Å; D58-Q64 PolarHBondContact O-NE2 3.02Å; R60-Q64 WeakPolarHBondContact O-CG 3.42Å; R60-Q64 PolarHBondContact O-N 2.91Å; K61-Q64 PolarHBondContact O-N 3.16Å; D62-Q64 VanDerWaalsContact C-N 3.31Å; D62-Q64 PolarHBondContact O-N 3.34Å; Q64-C67 PolarHBondContact O-N 2.95Å |
| 65 | E | 68.2 | Low | 70.3 | Confident | 112 Ų | 112 | 35 Ų | 35 | 52% | 0.523 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64 | -41.4 | 179 | -75.3 | 171.8 | -178.7 | 0 | 0 | 112.1 | K61 D62 | K61-E65 WeakPolarHBondContact CD-OE1 3.13Å; K61-E65 WeakPolarHBondContact CE-OE1 3.33Å; K61-E65 IonicContact NZ-OE1 3.71Å; K61-E65 PolarHBondContact NZ-OE1 3.12Å; K61-E65 WeakPolarHBondContact O-CB 3.38Å; K61-E65 VanDerWaalsContact O-CG 3.29Å; K61-E65 WeakPolarHBondContact O-CG 3.16Å; K61-E65 PolarHBondContact O-N 2.96Å; D62-E65 PolarHBondContact O-N 3.04Å |
| 66 | R | 67.6 | Low | 71.5 | Confident | 81 Ų | 81 | 32.4 Ų | 32.4 | 31% | 0.306 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -88.7 | -10 | -178.4 | -64.2 | 178 | -176.2 | -139.9 | -18.3 | 113.4 | D62 I68 E549 | D62-R66 VanDerWaalsContact O-CB 3.26Å; D62-R66 WeakPolarHBondContact O-CB 3.46Å; D62-R66 WeakPolarHBondContact O-CG 3.35Å; D62-R66 PolarHBondContact O-N 2.96Å; R66-I68 HydrophobicContact CB-CD1 4.21Å; R66-I68 HydrophobicContact CB-CG1 3.74Å; R66-I68 PolarHBondContact O-N 3.35Å; R66-E549 IonicContact CZ-OE1 3.63Å; R66-E549 IonicContact CZ-OE2 2.68Å; R66-E549 VanDerWaalsContact CZ-OE2 3.29Å; R66-E549 IonicContact NH1-OE1 2.71Å; R66-E549 IonicContact NH1-OE2 2.72Å; R66-E549 PolarHBondContact NH1-OE2 3.14Å; R66-E549 IonicContact NH2-OE1 2.76Å; R66-E549 PolarHBondContact NH2-OE1 3.38Å; R66-E549 IonicContact NH2-OE2 3.73Å; R66-E549 PolarHBondContact NH2-OE2 3.13Å |
| 67 | C | 66.1 | Low | 73 | Confident | 54 Ų | 54 | 31.8 Ų | 31.8 | 37% | 0.365 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 31.3 | -175.1 | -72.3 | 0 | 0 | 0 | 0 | 114.1 | R55 E63 Q64 | R55-C67 VanDerWaalsContact NH1-CB 3.26Å; R55-C67 PolarHBondContact NH1-O 2.9Å; E63-C67 VanDerWaalsContact O-CA 3.29Å; E63-C67 WeakPolarHBondContact O-CA 3.39Å; E63-C67 PolarHBondContact O-N 3.22Å; Q64-C67 PolarHBondContact O-N 2.95Å |
| 68 | I | 68.5 | Low | 74 | Confident | 22 Ų | 22 | 34 Ų | 34 | 11% | 0.113 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -130 | 141.9 | 177 | 60.4 | 174.8 | 0 | 0 | 0 | 110.7 | V28 E63 R66 I70 L546 | V28-I68 HydrophobicContact CG1-CG2 3.93Å; E63-I68 WeakPolarHBondContact CA-O 3.45Å; E63-I68 VanDerWaalsContact CB-O 3.26Å; E63-I68 WeakPolarHBondContact CB-O 3.07Å; E63-I68 WeakPolarHBondContact CG-O 3.46Å; E63-I68 PolarHBondContact O-N 2.98Å; R66-I68 HydrophobicContact CB-CD1 4.21Å; R66-I68 HydrophobicContact CB-CG1 3.74Å; R66-I68 PolarHBondContact O-N 3.35Å; I68-I70 HydrophobicContact CD1-CG1 4.47Å; I68-I70 HydrophobicContact CG1-CG1 4.29Å; I68-L546 HydrophobicContact CD1-CD2 4.02Å |
| 69 | T | 70.1 | Confident | 75 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | trans | -79.4 | 128.5 | 170.5 | -52.1 | 0 | 0 | 0 | 0 | 109.5 | K32 S33 D58 K71 P118 | K32-T69 PolarHBondContact NZ-OG1 3.23Å; S33-T69 PolarHBondContact OG-OG1 3.08Å; D58-T69 WeakPolarHBondContact OD1-CB 3.25Å; D58-T69 PolarHBondContact OD1-OG1 3.01Å; T69-K71 WeakPolarHBondContact CG2-O 3.44Å; T69-P118 WeakPolarHBondContact O-CA 3.24Å; T69-P118 VanDerWaalsContact O-CB 3.28Å; T69-P118 WeakPolarHBondContact O-CB 3.46Å | ||
| 70 | I | 55 | Low | 76.2 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -106.9 | -40.7 | -176.6 | -66.5 | 167.1 | 0 | 0 | 0 | 109.9 | D62 E63 I68 P118 F123 I550 | D62-I70 HydrophobicContact CB-CD1 4.32Å; E63-I70 HydrophobicContact CG-CB 3.77Å; E63-I70 HydrophobicContact CG-CD1 3.75Å; E63-I70 HydrophobicContact CG-CG1 3.78Å; E63-I70 WeakPolarHBondContact OE1-CA 3.43Å; E63-I70 PolarHBondContact OE1-N 3.07Å; I68-I70 HydrophobicContact CD1-CG1 4.47Å; I68-I70 HydrophobicContact CG1-CG1 4.29Å; I70-P118 VanDerWaalsContact O-CG 3.3Å; I70-P118 WeakPolarHBondContact O-CG 3.46Å; I70-F123 HydrophobicContact CG1-CE2 4.23Å; I70-F123 HydrophobicContact CG1-CZ 4.48Å; I70-F123 HydrophobicContact CG2-CD1 4.28Å; I70-F123 HydrophobicContact CG2-CE1 3.95Å; I70-F123 HydrophobicContact CG2-CE2 4.43Å; I70-F123 HydrophobicContact CG2-CZ 4.08Å; I70-I550 HydrophobicContact CD1-CD1 3.4Å; I70-I550 HydrophobicContact CD1-CG1 4.05Å; I70-I550 HydrophobicContact CG1-CD1 3.87Å; I70-I550 HydrophobicContact CG2-CD1 4.26Å; I70-I550 HydrophobicContact CG2-CG2 3.8Å | ||
| 71 | K | 73.8 | Confident | 77.2 | Confident | 26 Ų | 26 | 35.8 Ų | 35.8 | 11% | 0.113 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -115.7 | 139.4 | 179.9 | -69.7 | -66.5 | 175.7 | -174.8 | 0 | 111.3 | E63 T69 T73 E126 S524 D525 | E63-K71 PolarHBondContact OE1-N 2.83Å; T69-K71 WeakPolarHBondContact CG2-O 3.44Å; K71-T73 PolarHBondContact O-N 3.4Å; K71-E126 WeakPolarHBondContact CD-OE1 3.31Å; K71-E126 IonicContact NZ-OE1 2.77Å; K71-E126 PolarHBondContact NZ-OE1 2.89Å; K71-S524 PolarHBondContact NZ-O 2.91Å; K71-D525 IonicContact NZ-OD2 3.41Å; K71-D525 PolarHBondContact NZ-OD2 2.92Å |
| 72 | S | 71.6 | Confident | 78.1 | Confident | 9 Ų | 9 | 31 Ų | 31 | 6% | 0.063 | 15% | 0.154 | C | C | . | . | trans | -73 | 127.2 | -179.8 | -46.3 | 0 | 0 | 0 | 0 | 111.6 | D116 P118 E126 K394 | S72-D116 WeakPolarHBondContact CA-O 3.44Å; S72-P118 WeakPolarHBondContact OG-CD 3.45Å; S72-E126 PolarHBondContact N-OE2 3.5Å; S72-E126 VanDerWaalsContact N-OE2 3.17Å; S72-E126 PolarHBondContact OG-O 3.03Å; S72-E126 PolarHBondContact OG-OE2 3.34Å; S72-K394 PolarHBondContact O-NZ 2.96Å | ||
| 73 | T | 78.2 | Confident | 78.8 | Confident | 14 Ų | 14 | 37.4 Ų | 37.4 | 9% | 0.086 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 127.4 | -177.9 | -62 | 0 | 0 | 0 | 0 | 110.2 | T57 T59 K71 I115 D116 G449 | T57-T73 HydrophobicContact CG2-CG2 4.34Å; T57-T73 PolarHBondContact O-OG1 2.8Å; T59-T73 HydrophobicContact CG2-CG2 4.4Å; K71-T73 PolarHBondContact O-N 3.4Å; T73-I115 WeakPolarHBondContact O-CA 3.35Å; T73-D116 PolarHBondContact N-O 3.41Å; T73-D116 PolarHBondContact O-N 3.41Å; T73-G449 VanDerWaalsContact CG2-CA 3.5Å |
| 74 | A | 85.2 | Confident | 79.5 | Confident | 10 Ų | 10 | 43.1 Ų | 43.1 | 8% | 0.083 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 134.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L114 I115 F407 M447 G449 I463 | A74-L114 CarbonylContact C-O 3.37Å; A74-L114 WeakPolarHBondContact CA-O 3.25Å; A74-I115 HydrophobicContact CB-CG1 4.19Å; A74-F407 HydrophobicContact CB-CE2 3.87Å; A74-F407 HydrophobicContact CB-CZ 3.69Å; A74-M447 HydrophobicContact CB-CB 4.15Å; A74-G449 PolarHBondContact O-N 3.2Å; A74-I463 HydrophobicContact CB-CD1 4.13Å |
| 75 | V | 87.3 | Confident | 80.7 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 132.7 | 177.1 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | V40 I45 T57 M77 L114 M448 | V40-V75 HydrophobicContact CG2-CG1 4.41Å; I45-V75 HydrophobicContact CD1-CG1 3.51Å; T57-V75 HydrophobicContact CG2-CG2 4.38Å; V75-M77 HydrophobicContact CG1-CG 4.15Å; V75-L114 PolarHBondContact N-O 3.5Å; V75-L114 PolarHBondContact O-N 2.99Å; V75-M448 HydrophobicContact CG1-CE 4.49Å |
| 76 | S | 88 | Confident | 81.7 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 133.4 | 173.6 | -51.6 | 0 | 0 | 0 | 0 | 109.8 | I112 N113 M448 | S76-I112 CarbonylContact C-O 3.57Å; S76-N113 PolarHBondContact OG-OD1 2.83Å; S76-M448 WeakPolarHBondContact O-CE 3.37Å |
| 77 | M | 89.2 | Confident | 82.8 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 143.5 | -176.6 | -61.5 | -179.5 | -63.9 | 0 | 0 | 110.4 | L39 V40 A43 I45 V75 I112 L114 L345 | L39-M77 HydrophobicContact CB-CE 4.27Å; L39-M77 HydrophobicContact CB-SD 4.16Å; V40-M77 HydrophobicContact CG2-SD 4.21Å; A43-M77 HydrophobicContact CB-CB 3.78Å; A43-M77 HydrophobicContact CB-CG 3.66Å; A43-M77 HydrophobicContact CB-SD 3.95Å; I45-M77 HydrophobicContact CD1-CG 4.19Å; V75-M77 HydrophobicContact CG1-CG 4.15Å; M77-I112 HydrophobicContact CB-CB 4.42Å; M77-I112 HydrophobicContact CE-CB 4.34Å; M77-I112 HydrophobicContact CE-CG2 3.87Å; M77-I112 PolarHBondContact N-O 3.45Å; M77-I112 PolarHBondContact O-N 2.98Å; M77-L114 HydrophobicContact CE-CB 3.72Å; M77-L114 HydrophobicContact CE-CD1 3.79Å; M77-L114 HydrophobicContact CE-CG 4.4Å; M77-L345 HydrophobicContact CE-CD2 4.13Å |
| 78 | Y | 89.9 | Confident | 84 | Confident | 48 Ų | 48 | 36.6 Ų | 36.6 | 19% | 0.188 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 136.2 | 169.7 | 179.8 | -117.1 | 0 | 0 | 0 | 110.6 | L12 E80 F110 | L12-Y78 HydrophobicContact CD1-CD2 3.37Å; L12-Y78 HydrophobicContact CD1-CE2 3.66Å; L12-Y78 HydrophobicContact CD1-CG 4.32Å; L12-Y78 HydrophobicContact CD2-CD2 4.49Å; L12-Y78 HydrophobicContact CD2-CE2 4.04Å; Y78-E80 HydrophobicContact CE1-CG 3.57Å; Y78-E80 WeakPolarHBondContact CE1-OE1 3.45Å; Y78-E80 HydrophobicContact CE2-CG 4.38Å; Y78-E80 VanDerWaalsContact CZ-CG 3.43Å; Y78-E80 VanDerWaalsContact OH-CD 3.25Å; Y78-E80 WeakPolarHBondContact OH-CG 3.44Å; Y78-E80 PolarHBondContact OH-OE1 3.11Å; Y78-F110 WeakPolarHBondContact CA-O 3.3Å; Y78-F110 WeakPolarHBondContact CD2-O 3.44Å |
| 79 | F | 91.7 | Very high | 85.1 | Confident | 16 Ų | 16 | 36.4 Ų | 36.4 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 133.4 | 174.1 | -176.6 | -108.8 | 0 | 0 | 0 | 111.3 | L81 F110 I112 L345 Q346 | F79-L81 HydrophobicContact CE1-CD2 3.88Å; F79-L81 HydrophobicContact CE1-CG 4.21Å; F79-F110 PolarHBondContact N-O 3.19Å; F79-F110 PolarHBondContact O-N 3.03Å; F79-I112 HydrophobicContact CB-CD1 3.83Å; F79-L345 HydrophobicContact CB-CB 4.46Å; F79-L345 HydrophobicContact CB-CD1 4.31Å; F79-L345 HydrophobicContact CD1-CB 3.75Å; F79-L345 HydrophobicContact CD2-CB 3.81Å; F79-L345 HydrophobicContact CD2-CD1 3.47Å; F79-L345 VanDerWaalsContact CD2-CD1 3.47Å; F79-L345 HydrophobicContact CD2-CG 4.24Å; F79-L345 HydrophobicContact CE1-CB 3.81Å; F79-L345 HydrophobicContact CE2-CB 3.89Å; F79-L345 HydrophobicContact CE2-CD1 3.93Å; F79-L345 HydrophobicContact CG-CB 3.73Å; F79-L345 HydrophobicContact CG-CD1 3.96Å; F79-L345 HydrophobicContact CG-CG 4.36Å; F79-L345 HydrophobicContact CZ-CB 3.89Å; F79-Q346 HydrophobicContact CE1-CG 3.99Å; F79-Q346 HydrophobicContact CZ-CG 3.93Å |
| 80 | E | 91.7 | Very high | 86 | Confident | 113 Ų | 113 | 39.9 Ų | 39.9 | 53% | 0.528 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 121.9 | 173.7 | -69.9 | -176.8 | -178.2 | 0 | 0 | 110.4 | Y78 P108 | Y78-E80 HydrophobicContact CE1-CG 3.57Å; Y78-E80 WeakPolarHBondContact CE1-OE1 3.45Å; Y78-E80 HydrophobicContact CE2-CG 4.38Å; Y78-E80 VanDerWaalsContact CZ-CG 3.43Å; Y78-E80 VanDerWaalsContact OH-CD 3.25Å; Y78-E80 WeakPolarHBondContact OH-CG 3.44Å; Y78-E80 PolarHBondContact OH-OE1 3.11Å; E80-P108 WeakPolarHBondContact CA-O 3.39Å |
| 81 | L | 92.1 | Very high | 87.3 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -75.9 | 140.4 | 165.1 | -84.6 | 179.3 | 0 | 0 | 0 | 109.7 | F79 D85 L86 V89 P108 F110 Q346 C349 I350 | F79-L81 HydrophobicContact CE1-CD2 3.88Å; F79-L81 HydrophobicContact CE1-CG 4.21Å; L81-D85 HydrophobicContact CD2-CB 4.16Å; L81-L86 HydrophobicContact CB-CD2 3.81Å; L81-L86 HydrophobicContact CB-CG 4.37Å; L81-L86 HydrophobicContact CD1-CD2 4.17Å; L81-V89 HydrophobicContact CD1-CG2 3.86Å; L81-P108 PolarHBondContact N-O 2.99Å; L81-P108 VanDerWaalsContact O-CB 3.31Å; L81-P108 WeakPolarHBondContact O-CB 3.32Å; L81-F110 HydrophobicContact CB-CD2 4.44Å; L81-F110 HydrophobicContact CB-CE2 4.01Å; L81-F110 HydrophobicContact CD1-CD2 4.27Å; L81-F110 HydrophobicContact CD1-CE2 3.56Å; L81-F110 HydrophobicContact CD1-CZ 3.83Å; L81-F110 HydrophobicContact CG-CD2 4.25Å; L81-F110 HydrophobicContact CG-CE2 3.92Å; L81-Q346 HydrophobicContact CD2-CB 4.24Å; L81-Q346 HydrophobicContact CD2-CG 3.76Å; L81-C349 HydrophobicContact CD1-CB 3.56Å; L81-C349 HydrophobicContact CD2-CB 4.45Å; L81-C349 HydrophobicContact CG-CB 3.99Å; L81-I350 HydrophobicContact CD1-CG1 4.37Å |
| 82 | S | 91.1 | Very high | 87.7 | Confident | 46 Ų | 46 | 49.2 Ų | 49.2 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -65.1 | 149.7 | 173.4 | 80.7 | 0 | 0 | 0 | 0 | 110.6 | K84 D85 L86 | S82-K84 PolarHBondContact O-N 2.67Å; S82-K84 WeakPolarHBondContact OG-CG 3.36Å; S82-D85 WeakPolarHBondContact O-CA 3.14Å; S82-D85 WeakPolarHBondContact O-CB 3.11Å; S82-D85 PolarHBondContact O-N 3.01Å; S82-D85 PolarHBondContact OG-OD2 3.31Å; S82-L86 PolarHBondContact O-N 2.85Å |
| 83 | E | 88.5 | Confident | 88.3 | Confident | 140 Ų | 140 | 52.7 Ų | 52.7 | 65% | 0.654 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -37.7 | -176.2 | -66 | -171 | 161.8 | 0 | 0 | 112.6 | D85 L86 R100 | E83-D85 PolarHBondContact O-N 3.48Å; E83-L86 PolarHBondContact O-N 2.89Å; E83-R100 IonicContact OE1-NH1 3.85Å; E83-R100 PolarHBondContact OE1-NH1 3.02Å |
| 84 | K | 88.8 | Confident | 88.9 | Confident | 121 Ų | 121 | 52.5 Ų | 52.5 | 53% | 0.526 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -22 | 174.5 | 63.8 | 164.3 | -169.9 | 164.2 | 0 | 113.1 | S82 Q87 E241 | S82-K84 PolarHBondContact O-N 2.67Å; S82-K84 WeakPolarHBondContact OG-CG 3.36Å; K84-Q87 WeakPolarHBondContact O-CG 3.29Å; K84-Q87 PolarHBondContact O-NE2 3.31Å; K84-E241 IonicContact NZ-OE2 3.41Å; K84-E241 PolarHBondContact NZ-OE2 3.17Å |
| 85 | D | 91.4 | Very high | 89.3 | Confident | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.027 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -20.3 | -176.3 | -65 | -28.2 | 0 | 0 | 0 | 112.8 | L81 S82 E83 Q87 Y88 K237 | L81-D85 HydrophobicContact CD2-CB 4.16Å; S82-D85 WeakPolarHBondContact O-CA 3.14Å; S82-D85 WeakPolarHBondContact O-CB 3.11Å; S82-D85 PolarHBondContact O-N 3.01Å; S82-D85 PolarHBondContact OG-OD2 3.31Å; E83-D85 PolarHBondContact O-N 3.48Å; D85-Q87 PolarHBondContact O-N 3.38Å; D85-Y88 HydrophobicContact CB-CD2 4.45Å; D85-Y88 WeakPolarHBondContact O-CB 3.32Å; D85-Y88 WeakPolarHBondContact O-CD2 3.29Å; D85-Y88 PolarHBondContact O-N 3.22Å; D85-K237 VanDerWaalsContact CG-NZ 3.25Å; D85-K237 WeakPolarHBondContact OD1-CE 3.16Å; D85-K237 IonicContact OD1-NZ 2.87Å; D85-K237 PolarHBondContact OD1-NZ 3.03Å; D85-K237 IonicContact OD2-NZ 3.25Å |
| 86 | L | 90.8 | Very high | 89.6 | Confident | 12 Ų | 12 | 54.8 Ų | 54.8 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -59.3 | -29 | 179.3 | -68.6 | 169.3 | 0 | 0 | 0 | 112.6 | L81 S82 E83 Y88 V89 L95 P106 P108 F110 | L81-L86 HydrophobicContact CB-CD2 3.81Å; L81-L86 HydrophobicContact CB-CG 4.37Å; L81-L86 HydrophobicContact CD1-CD2 4.17Å; S82-L86 PolarHBondContact O-N 2.85Å; E83-L86 PolarHBondContact O-N 2.89Å; L86-Y88 PolarHBondContact O-N 3.27Å; L86-V89 WeakPolarHBondContact O-CG2 3.45Å; L86-V89 PolarHBondContact O-N 3.1Å; L86-L95 HydrophobicContact CD2-CD2 4.01Å; L86-P106 HydrophobicContact CD1-CB 4.09Å; L86-P108 HydrophobicContact CD1-CB 4.12Å; L86-F110 HydrophobicContact CD2-CE2 4Å; L86-F110 HydrophobicContact CD2-CZ 4.36Å |
| 87 | Q | 89 | Confident | 89.8 | Confident | 150 Ų | 150 | 60 Ų | 60 | 70% | 0.701 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -65 | -20 | 175.9 | 73.9 | -173.7 | -45.4 | 0 | 0 | 113.8 | K84 D85 | K84-Q87 WeakPolarHBondContact O-CG 3.29Å; K84-Q87 PolarHBondContact O-NE2 3.31Å; D85-Q87 PolarHBondContact O-N 3.38Å |
| 88 | Y | 91.1 | Very high | 89.8 | Confident | 27 Ų | 27 | 62.1 Ų | 62.1 | 11% | 0.106 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -83.7 | -16.8 | 179.8 | -64.1 | -74.1 | 0 | 0 | 0 | 113 | D85 L86 R90 K237 S251 I350 | D85-Y88 HydrophobicContact CB-CD2 4.45Å; D85-Y88 WeakPolarHBondContact O-CB 3.32Å; D85-Y88 WeakPolarHBondContact O-CD2 3.29Å; D85-Y88 PolarHBondContact O-N 3.22Å; L86-Y88 PolarHBondContact O-N 3.27Å; Y88-R90 WeakPolarHBondContact O-CD 3.29Å; Y88-R90 WeakPolarHBondContact O-CG 3.35Å; Y88-R90 PolarHBondContact O-N 2.85Å; Y88-R90 VanDerWaalsContact O-N 3.12Å; Y88-K237 HydrophobicContact CD2-CD 4.35Å; Y88-K237 VanDerWaalsContact CE2-CE 3.44Å; Y88-S251 WeakPolarHBondContact OH-CB 3.38Å; Y88-I350 WeakPolarHBondContact O-CG2 3.39Å |
| 89 | V | 92.8 | Very high | 89.6 | Confident | 19 Ų | 19 | 67.4 Ų | 67.4 | 12% | 0.115 | 33% | 0.332 | C | S | . | . | trans | -55 | 119.2 | -177.2 | 177.7 | 0 | 0 | 0 | 0 | 109.8 | L81 L86 Q94 L95 F110 I350 | L81-V89 HydrophobicContact CD1-CG2 3.86Å; L86-V89 WeakPolarHBondContact O-CG2 3.45Å; L86-V89 PolarHBondContact O-N 3.1Å; V89-Q94 HydrophobicContact CG1-CB 3.61Å; V89-L95 HydrophobicContact CB-CD1 4.18Å; V89-L95 HydrophobicContact CB-CG 4.35Å; V89-L95 HydrophobicContact CG1-CD2 4.41Å; V89-L95 HydrophobicContact CG1-CG 4.16Å; V89-L95 HydrophobicContact CG2-CD1 4.36Å; V89-L95 HydrophobicContact CG2-CD2 4.23Å; V89-F110 HydrophobicContact CG2-CZ 4.39Å; V89-I350 HydrophobicContact CG2-CG1 4.46Å | ||
| 90 | R | 88.7 | Confident | 89 | Confident | 76 Ų | 76 | 70.3 Ų | 70.3 | 29% | 0.287 | 34% | 0.342 | S | S | . | . | trans | -90.9 | 136.3 | -169 | -62 | -62.3 | -169.9 | -179.4 | 0.2 | 111.5 | Y88 Q94 E252 I350 | Y88-R90 WeakPolarHBondContact O-CD 3.29Å; Y88-R90 WeakPolarHBondContact O-CG 3.35Å; Y88-R90 PolarHBondContact O-N 2.85Å; Y88-R90 VanDerWaalsContact O-N 3.12Å; R90-Q94 WeakPolarHBondContact O-CG 3.22Å; R90-E252 IonicContact CZ-OE1 2.74Å; R90-E252 VanDerWaalsContact CZ-OE1 3.25Å; R90-E252 IonicContact NH1-OE1 2.69Å; R90-E252 PolarHBondContact NH1-OE1 3.35Å; R90-E252 IonicContact NH2-OE1 2.63Å; R90-E252 PolarHBondContact NH2-OE1 3.28Å; R90-I350 WeakPolarHBondContact CB-O 3.45Å; R90-I350 HydrophobicContact CG-CG2 4.2Å; R90-I350 PolarHBondContact N-O 2.85Å | ||
| 91 | G | 83.5 | Confident | 88.5 | Confident | 59 Ų | 59 | 71.3 Ų | 71.3 | 61% | 0.608 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 101.6 | 161.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q94 | G91-Q94 WeakPolarHBondContact O-CG 3.17Š|
| 92 | E | 80.4 | Confident | 88.1 | Confident | 163 Ų | 163 | 74 Ų | 74 | 76% | 0.762 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | 146.7 | 179.5 | -61.8 | -178.2 | 178.8 | 0 | 0 | 111.4 | Q94 T357 | E92-Q94 VanDerWaalsContact C-N 3.33Å; E92-Q94 PolarHBondContact O-N 3.24Å; E92-T357 PolarHBondContact O-OG1 3.42Å |
| 93 | N | 84.2 | Confident | 87.9 | Confident | 82 Ų | 82 | 76 Ų | 76 | 44% | 0.439 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 39.6 | 175.3 | -71.4 | -58 | 0 | 0 | 0 | 114.9 | K17 | K17-N93 WeakPolarHBondContact CD-O 3.39Å; K17-N93 WeakPolarHBondContact CG-O 3.24Å; K17-N93 PolarHBondContact NZ-OD1 3.43Å |
| 94 | Q | 92.6 | Very high | 87.8 | Confident | 10 Ų | 10 | 77.1 Ų | 77.1 | 5% | 0.047 | 40% | 0.403 | C | S | . | . | trans | -102.3 | 0.9 | -177.8 | -64.9 | -70.6 | -8.9 | 0 | 0 | 114.8 | K17 R20 V89 R90 G91 E92 S354 T357 | K17-Q94 CarbonylContact O-C 3.55Å; R20-Q94 PolarHBondContact NH2-O 2.75Å; V89-Q94 HydrophobicContact CG1-CB 3.61Å; R90-Q94 WeakPolarHBondContact O-CG 3.22Å; G91-Q94 WeakPolarHBondContact O-CG 3.17Å; E92-Q94 VanDerWaalsContact C-N 3.33Å; E92-Q94 PolarHBondContact O-N 3.24Å; Q94-S354 PolarHBondContact OE1-OG 3.49Å; Q94-T357 PolarHBondContact NE2-OG1 3.18Å | ||
| 95 | L | 93.5 | Very high | 87.9 | Confident | 22 Ų | 22 | 72.3 Ų | 72.3 | 12% | 0.115 | 39% | 0.386 | C | S | . | . | trans | -136 | 130.4 | -179.6 | -70.4 | 171.9 | 0 | 0 | 0 | 109.9 | K17 L86 V89 Y97 P106 F110 | K17-L95 VanDerWaalsContact CD-O 3.25Å; K17-L95 WeakPolarHBondContact CD-O 3.47Å; L86-L95 HydrophobicContact CD2-CD2 4.01Å; V89-L95 HydrophobicContact CB-CD1 4.18Å; V89-L95 HydrophobicContact CB-CG 4.35Å; V89-L95 HydrophobicContact CG1-CD2 4.41Å; V89-L95 HydrophobicContact CG1-CG 4.16Å; V89-L95 HydrophobicContact CG2-CD1 4.36Å; V89-L95 HydrophobicContact CG2-CD2 4.23Å; L95-Y97 WeakPolarHBondContact O-CE2 3.21Å; L95-P106 HydrophobicContact CD1-CB 4.25Å; L95-F110 HydrophobicContact CD2-CE1 4.26Å; L95-F110 HydrophobicContact CD2-CE2 4.35Å; L95-F110 HydrophobicContact CD2-CZ 3.52Å | ||
| 96 | D | 93.4 | Very high | 87.9 | Confident | 36 Ų | 36 | 74.3 Ų | 74.3 | 19% | 0.193 | 40% | 0.4 | C | S | . | . | trans | -80.6 | 159.5 | 160.9 | -81.8 | -51.5 | 0 | 0 | 0 | 109.5 | R15 K16 K17 N18 Y107 | R15-D96 WeakPolarHBondContact CA-OD2 3.33Å; R15-D96 HydrophobicContact CB-CB 4.32Å; K16-D96 PolarHBondContact N-OD2 3.15Å; K17-D96 HydrophobicContact CB-CB 4.37Å; K17-D96 WeakPolarHBondContact CB-OD2 3.44Å; K17-D96 WeakPolarHBondContact CD-OD1 3.44Å; K17-D96 PolarHBondContact N-OD2 3.48Å; N18-D96 PolarHBondContact OD1-N 2.91Å; D96-Y107 WeakPolarHBondContact O-CB 3.18Å; D96-Y107 PolarHBondContact O-N 3.36Å | ||
| 97 | Y | 91.6 | Very high | 87.9 | Confident | 111 Ų | 111 | 75.2 Ų | 75.2 | 44% | 0.435 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 155.6 | -176.4 | -68.9 | -103.2 | 0 | 0 | 0 | 109 | R15 L95 K104 A105 P106 | R15-Y97 PolarHBondContact NH1-O 3.38Å; L95-Y97 WeakPolarHBondContact O-CE2 3.21Å; Y97-K104 HydrophobicContact CD1-CD 4.38Å; Y97-K104 HydrophobicContact CD1-CG 3.87Å; Y97-K104 HydrophobicContact CG-CD 4.34Å; Y97-K104 HydrophobicContact CG-CG 4.05Å; Y97-A105 CarbonylContact C-O 3.48Å; Y97-A105 VanDerWaalsContact CA-O 3.28Å; Y97-A105 WeakPolarHBondContact CA-O 3.41Å; Y97-P106 HydrophobicContact CD1-CB 4.48Å; Y97-P106 HydrophobicContact CD1-CG 4.3Å; Y97-P106 HydrophobicContact CE1-CB 4.31Å; Y97-P106 HydrophobicContact CE1-CG 3.86Å |
| 98 | E | 89 | Confident | 88.1 | Confident | 44 Ų | 44 | 68.6 Ų | 68.6 | 21% | 0.206 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 162.4 | 171.3 | 64.8 | -179.9 | -175.4 | 0 | 0 | 110.9 | R15 R100 A105 Y107 | R15-E98 IonicContact CZ-OE2 3.99Å; R15-E98 IonicContact NH2-OE2 3.56Å; R15-E98 PolarHBondContact NH2-OE2 3.39Å; E98-R100 HydrophobicContact CG-CG 4.17Å; E98-R100 IonicContact OE1-CZ 2.75Å; E98-R100 IonicContact OE1-NE 2.82Å; E98-R100 PolarHBondContact OE1-NE 3.47Å; E98-R100 IonicContact OE1-NH2 2.64Å; E98-R100 PolarHBondContact OE1-NH2 3.07Å; E98-A105 PolarHBondContact N-O 3.15Å; E98-A105 PolarHBondContact O-N 3.16Å; E98-Y107 HydrophobicContact CG-CD2 4.11Å; E98-Y107 WeakPolarHBondContact OE1-CD2 3.3Å; E98-Y107 WeakPolarHBondContact OE2-CD2 3.3Å; E98-Y107 VanDerWaalsContact OE2-CE2 3.31Å; E98-Y107 WeakPolarHBondContact OE2-CE2 3.34Å |
| 99 | E | 85.4 | Confident | 88.2 | Confident | 159 Ų | 159 | 67.3 Ų | 67.3 | 74% | 0.743 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 114.5 | 177.6 | -165 | 173.2 | 179 | 0 | 0 | 109.3 | ||
| 100 | R | 78.9 | Confident | 88.3 | Confident | 78 Ų | 78 | 66.4 Ų | 66.4 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 120.5 | 172.9 | -68.8 | -177.2 | -177.4 | -173.4 | -4.8 | 108.8 | E83 E98 G102 T103 A105 P108 | E83-R100 IonicContact OE1-NH1 3.85Å; E83-R100 PolarHBondContact OE1-NH1 3.02Å; E98-R100 HydrophobicContact CG-CG 4.17Å; E98-R100 IonicContact OE1-CZ 2.75Å; E98-R100 IonicContact OE1-NE 2.82Å; E98-R100 PolarHBondContact OE1-NE 3.47Å; E98-R100 IonicContact OE1-NH2 2.64Å; E98-R100 PolarHBondContact OE1-NH2 3.07Å; R100-G102 PolarHBondContact O-N 2.94Å; R100-G102 VanDerWaalsContact O-N 3.16Å; R100-T103 PolarHBondContact N-O 3.43Å; R100-T103 PolarHBondContact O-N 3.19Å; R100-T103 VanDerWaalsContact O-O 3.11Å; R100-T103 PolarHBondContact O-OG1 3.05Å; R100-A105 HydrophobicContact CB-CB 4.44Å; R100-A105 HydrophobicContact CG-CB 4.45Å; R100-P108 VanDerWaalsContact NH2-CG 3.32Å |
| 101 | S | 82.7 | Confident | 88.6 | Confident | 133 Ų | 133 | 62.9 Ų | 62.9 | 93% | 0.93 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 40.5 | 178.2 | -58.7 | 0 | 0 | 0 | 0 | 113.9 | T103 | S101-T103 VanDerWaalsContact C-N 3.27Å; S101-T103 PolarHBondContact O-N 3.37Å |
| 102 | G | 82.4 | Confident | 89.1 | Confident | 60 Ų | 60 | 60 Ų | 60 | 62% | 0.619 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 6.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | R100 | R100-G102 PolarHBondContact O-N 2.94Å; R100-G102 VanDerWaalsContact O-N 3.16Å |
| 103 | T | 86.4 | Confident | 89.8 | Confident | 89 Ų | 89 | 52.3 Ų | 52.3 | 55% | 0.546 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 141.6 | 176.1 | 61.4 | 0 | 0 | 0 | 0 | 111.1 | R100 S101 A105 | R100-T103 PolarHBondContact N-O 3.43Å; R100-T103 PolarHBondContact O-N 3.19Å; R100-T103 VanDerWaalsContact O-O 3.11Å; R100-T103 PolarHBondContact O-OG1 3.05Å; S101-T103 VanDerWaalsContact C-N 3.27Å; S101-T103 PolarHBondContact O-N 3.37Å; T103-A105 PolarHBondContact O-N 2.86Å |
| 104 | K | 87.6 | Confident | 90.3 | Very high | 163 Ų | 163 | 48.4 Ų | 48.4 | 71% | 0.709 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 108.9 | 176.4 | -171.8 | 175.6 | -178.5 | 176.2 | 0 | 109.3 | Y97 | Y97-K104 HydrophobicContact CD1-CD 4.38Å; Y97-K104 HydrophobicContact CD1-CG 3.87Å; Y97-K104 HydrophobicContact CG-CD 4.34Å; Y97-K104 HydrophobicContact CG-CG 4.05Å |
| 105 | A | 89.6 | Confident | 90.2 | Very high | 21 Ų | 21 | 48 Ų | 48 | 17% | 0.174 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 148.3 | -180 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y97 E98 R100 T103 | Y97-A105 CarbonylContact C-O 3.48Å; Y97-A105 VanDerWaalsContact CA-O 3.28Å; Y97-A105 WeakPolarHBondContact CA-O 3.41Å; E98-A105 PolarHBondContact N-O 3.15Å; E98-A105 PolarHBondContact O-N 3.16Å; R100-A105 HydrophobicContact CB-CB 4.44Å; R100-A105 HydrophobicContact CG-CB 4.45Å; T103-A105 PolarHBondContact O-N 2.86Å |
| 106 | P | 91.5 | Very high | 90 | Very high | 47 Ų | 47 | 47 Ų | 47 | 31% | 0.305 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 136.5 | 172 | -18.7 | 30.6 | 0 | 0 | 0 | 111.1 | L86 L95 Y97 | L86-P106 HydrophobicContact CD1-CB 4.09Å; L95-P106 HydrophobicContact CD1-CB 4.25Å; Y97-P106 HydrophobicContact CD1-CB 4.48Å; Y97-P106 HydrophobicContact CD1-CG 4.3Å; Y97-P106 HydrophobicContact CE1-CB 4.31Å; Y97-P106 HydrophobicContact CE1-CG 3.86Å |
| 107 | Y | 92.7 | Very high | 89.7 | Confident | 31 Ų | 31 | 45.2 Ų | 45.2 | 12% | 0.122 | 25% | 0.246 | C | C | . | . | trans | -75.6 | 126.4 | 177.6 | -174.8 | -113.6 | 0 | 0 | 0 | 110.8 | L12 R15 N18 D96 E98 G109 | L12-Y107 HydrophobicContact CD2-CE1 3.58Å; L12-Y107 WeakPolarHBondContact CD2-OH 3.22Å; R15-Y107 VanDerWaalsContact CD-CE1 3.41Å; N18-Y107 PolarHBondContact ND2-O 2.74Å; D96-Y107 WeakPolarHBondContact O-CB 3.18Å; D96-Y107 PolarHBondContact O-N 3.36Å; E98-Y107 HydrophobicContact CG-CD2 4.11Å; E98-Y107 WeakPolarHBondContact OE1-CD2 3.3Å; E98-Y107 WeakPolarHBondContact OE2-CD2 3.3Å; E98-Y107 VanDerWaalsContact OE2-CE2 3.31Å; E98-Y107 WeakPolarHBondContact OE2-CE2 3.34Å; Y107-G109 WeakPolarHBondContact CD1-O 3.49Å; Y107-G109 VanDerWaalsContact CE1-O 3.26Å; Y107-G109 WeakPolarHBondContact CE1-O 3.39Å | ||
| 108 | P | 92.8 | Very high | 89.4 | Confident | 11 Ų | 11 | 40 Ų | 40 | 7% | 0.071 | 23% | 0.225 | C | C | . | . | trans | -81.2 | -22.3 | -174.9 | 30.2 | -35.2 | 0 | 0 | 0 | 114.8 | E80 L81 L86 R100 F110 | E80-P108 WeakPolarHBondContact CA-O 3.39Å; L81-P108 PolarHBondContact N-O 2.99Å; L81-P108 VanDerWaalsContact O-CB 3.31Å; L81-P108 WeakPolarHBondContact O-CB 3.32Å; L86-P108 HydrophobicContact CD1-CB 4.12Å; R100-P108 VanDerWaalsContact NH2-CG 3.32Å; P108-F110 WeakPolarHBondContact O-CD2 3.32Å; P108-F110 WeakPolarHBondContact O-CE2 3.18Å | ||
| 109 | G | 92.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 139.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113 | N18 Y107 | N18-G109 WeakPolarHBondContact CB-O 3.5Å; N18-G109 PolarHBondContact ND2-O 3.36Å; Y107-G109 WeakPolarHBondContact CD1-O 3.49Å; Y107-G109 VanDerWaalsContact CE1-O 3.26Å; Y107-G109 WeakPolarHBondContact CE1-O 3.39Å |
| 110 | F | 94.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 139.4 | 178.4 | -71.5 | -100.7 | 0 | 0 | 0 | 111.1 | N18 R20 Y78 F79 L81 L86 V89 L95 P108 I112 C349 | N18-F110 HydrophobicContact CB-CD1 4.15Å; N18-F110 HydrophobicContact CB-CE1 4.36Å; N18-F110 VanDerWaalsContact O-CA 3.3Å; N18-F110 WeakPolarHBondContact O-CA 3.33Å; N18-F110 VanDerWaalsContact O-CD1 3.29Å; N18-F110 WeakPolarHBondContact O-CD1 3.49Å; R20-F110 HydrophobicContact CG-CD1 4.42Å; Y78-F110 WeakPolarHBondContact CA-O 3.3Å; Y78-F110 WeakPolarHBondContact CD2-O 3.44Å; F79-F110 PolarHBondContact N-O 3.19Å; F79-F110 PolarHBondContact O-N 3.03Å; L81-F110 HydrophobicContact CB-CD2 4.44Å; L81-F110 HydrophobicContact CB-CE2 4.01Å; L81-F110 HydrophobicContact CD1-CD2 4.27Å; L81-F110 HydrophobicContact CD1-CE2 3.56Å; L81-F110 HydrophobicContact CD1-CZ 3.83Å; L81-F110 HydrophobicContact CG-CD2 4.25Å; L81-F110 HydrophobicContact CG-CE2 3.92Å; L86-F110 HydrophobicContact CD2-CE2 4Å; L86-F110 HydrophobicContact CD2-CZ 4.36Å; V89-F110 HydrophobicContact CG2-CZ 4.39Å; L95-F110 HydrophobicContact CD2-CE1 4.26Å; L95-F110 HydrophobicContact CD2-CE2 4.35Å; L95-F110 HydrophobicContact CD2-CZ 3.52Å; P108-F110 WeakPolarHBondContact O-CD2 3.32Å; P108-F110 WeakPolarHBondContact O-CE2 3.18Å; F110-I112 HydrophobicContact CB-CG1 4.41Å; F110-C349 HydrophobicContact CD1-CB 4.1Å; F110-C349 HydrophobicContact CD2-CB 4.38Å; F110-C349 HydrophobicContact CE1-CB 4.16Å; F110-C349 HydrophobicContact CE2-CB 4.47Å; F110-C349 HydrophobicContact CG-CB 4.21Å; F110-C349 HydrophobicContact CZ-CB 4.33Å |
| 111 | L | 94.9 | Very high | 88.1 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 115.7 | 167.8 | 176.6 | 62.7 | 0 | 0 | 0 | 108.7 | I9 L12 M13 N18 V19 R20 | I9-L111 HydrophobicContact CG2-CD1 4.12Å; I9-L111 HydrophobicContact CG2-CD2 4.33Å; L12-L111 HydrophobicContact CB-CB 4.12Å; L12-L111 HydrophobicContact CB-CD2 4.44Å; M13-L111 HydrophobicContact CG-CD2 3.77Å; N18-L111 PolarHBondContact O-N 2.77Å; N18-L111 VanDerWaalsContact O-N 3.07Å; V19-L111 CarbonylContact C-O 3.5Å; V19-L111 WeakPolarHBondContact CA-O 3.45Å; V19-L111 HydrophobicContact CG2-CB 4.36Å; V19-L111 HydrophobicContact CG2-CD2 4.4Å; R20-L111 PolarHBondContact N-O 3.45Å |
| 112 | I | 94.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 109.9 | -178.1 | -58.3 | 165 | 0 | 0 | 0 | 108.2 | R20 M22 S76 M77 F79 F110 L114 L345 I348 | R20-I112 HydrophobicContact CB-CG1 4.27Å; R20-I112 CarbonylContact O-C 3.59Å; R20-I112 WeakPolarHBondContact O-CA 3.45Å; M22-I112 HydrophobicContact CG-CG2 4.2Å; S76-I112 CarbonylContact C-O 3.57Å; M77-I112 HydrophobicContact CB-CB 4.42Å; M77-I112 HydrophobicContact CE-CB 4.34Å; M77-I112 HydrophobicContact CE-CG2 3.87Å; M77-I112 PolarHBondContact N-O 3.45Å; M77-I112 PolarHBondContact O-N 2.98Å; F79-I112 HydrophobicContact CB-CD1 3.83Å; F110-I112 HydrophobicContact CB-CG1 4.41Å; I112-L114 PolarHBondContact O-N 3.04Å; I112-L345 HydrophobicContact CD1-CB 4.48Å; I112-L345 HydrophobicContact CD1-CD2 3.52Å; I112-I348 HydrophobicContact CD1-CG2 4.31Å; I112-I348 HydrophobicContact CG1-CG2 4.42Å; I112-I348 HydrophobicContact CG2-CG2 4.14Å |
| 113 | N | 94.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 99.3 | 175 | -65.7 | -32.4 | 0 | 0 | 0 | 108 | R20 N21 M22 S76 I463 | R20-N113 PolarHBondContact O-N 3.34Å; N21-N113 WeakPolarHBondContact OD1-CB 3.46Å; N21-N113 PolarHBondContact OD1-ND2 2.88Å; M22-N113 PolarHBondContact N-O 3.09Å; S76-N113 PolarHBondContact OG-OD1 2.83Å; N113-I463 HydrophobicContact CB-CD1 3.72Å; N113-I463 HydrophobicContact CB-CG1 3.88Å |
| 114 | L | 93.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 133.2 | -179.7 | -179 | 150.2 | 0 | 0 | 0 | 110.3 | M22 V24 T36 L39 A74 V75 M77 I112 D116 | M22-L114 HydrophobicContact CE-CD1 4.36Å; M22-L114 HydrophobicContact CE-CG 4.42Å; M22-L114 CarbonylContact O-C 3.53Å; M22-L114 WeakPolarHBondContact O-CA 3.34Å; M22-L114 HydrophobicContact SD-CD1 4.48Å; V24-L114 HydrophobicContact CG2-CD1 3.89Å; V24-L114 HydrophobicContact CG2-CD2 4.35Å; V24-L114 HydrophobicContact CG2-CG 4.11Å; T36-L114 HydrophobicContact CG2-CD1 4.26Å; T36-L114 HydrophobicContact CG2-CD2 3.6Å; L39-L114 HydrophobicContact CB-CD1 4.42Å; L39-L114 HydrophobicContact CD1-CD1 3.49Å; L39-L114 VanDerWaalsContact CD1-CD1 3.49Å; A74-L114 CarbonylContact C-O 3.37Å; A74-L114 WeakPolarHBondContact CA-O 3.25Å; V75-L114 PolarHBondContact N-O 3.5Å; V75-L114 PolarHBondContact O-N 2.99Å; M77-L114 HydrophobicContact CE-CB 3.72Å; M77-L114 HydrophobicContact CE-CD1 3.79Å; M77-L114 HydrophobicContact CE-CG 4.4Å; I112-L114 PolarHBondContact O-N 3.04Å; L114-D116 HydrophobicContact CD2-CB 4.15Å |
| 115 | I | 92 | Very high | 87.2 | Confident | 1 Ų | 1 | 8.1 Ų | 8.1 | 1% | 0.005 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 117 | 168.6 | -53.4 | -175.7 | 0 | 0 | 0 | 108.8 | M22 S23 V24 T73 A74 S117 A130 V133 T134 F407 I463 | M22-I115 PolarHBondContact O-N 3.16Å; S23-I115 CarbonylContact C-O 3.52Å; S23-I115 VanDerWaalsContact CA-O 3.24Å; S23-I115 WeakPolarHBondContact CA-O 3.46Å; V24-I115 PolarHBondContact N-O 2.89Å; T73-I115 WeakPolarHBondContact O-CA 3.35Å; A74-I115 HydrophobicContact CB-CG1 4.19Å; I115-S117 PolarHBondContact O-N 3.28Å; I115-A130 HydrophobicContact CB-CB 4.37Å; I115-A130 HydrophobicContact CG2-CB 3.61Å; I115-V133 HydrophobicContact CD1-CG2 3.37Å; I115-T134 HydrophobicContact CB-CG2 4.44Å; I115-T134 HydrophobicContact CD1-CG2 3.68Å; I115-T134 HydrophobicContact CG1-CG2 4.03Å; I115-F407 HydrophobicContact CD1-CE1 3.9Å; I115-F407 HydrophobicContact CD1-CZ 3.84Å; I115-I463 HydrophobicContact CG1-CD1 4.49Å |
| 116 | D | 89.2 | Confident | 87.1 | Confident | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.041 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 108.5 | 175.1 | -165.7 | 34.6 | 0 | 0 | 0 | 108.7 | K32 T36 T57 S72 T73 L114 | K32-D116 IonicContact NZ-OD1 3.34Å; K32-D116 PolarHBondContact NZ-OD1 3.42Å; K32-D116 IonicContact NZ-OD2 2.78Å; K32-D116 PolarHBondContact NZ-OD2 3.49Å; T36-D116 HydrophobicContact CG2-CB 4.13Å; T36-D116 PolarHBondContact OG1-OD1 2.83Å; T36-D116 VanDerWaalsContact OG1-OD1 3.05Å; T57-D116 WeakPolarHBondContact CB-OD2 3.26Å; T57-D116 HydrophobicContact CG2-CB 4.02Å; T57-D116 PolarHBondContact OG1-OD2 3.49Å; S72-D116 WeakPolarHBondContact CA-O 3.44Å; T73-D116 PolarHBondContact N-O 3.41Å; T73-D116 PolarHBondContact O-N 3.41Å; L114-D116 HydrophobicContact CD2-CB 4.15Å |
| 117 | S | 87 | Confident | 87 | Confident | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.027 | C | C | . | . | trans | -97.1 | 159.5 | -176.9 | 59.6 | 0 | 0 | 0 | 0 | 112.3 | V24 K32 I115 | V24-S117 PolarHBondContact O-OG 2.89Å; K32-S117 WeakPolarHBondContact CD-O 3.35Å; K32-S117 WeakPolarHBondContact CE-O 3.4Å; K32-S117 PolarHBondContact NZ-O 3.04Å; I115-S117 PolarHBondContact O-N 3.28Å | ||
| 118 | P | 83.7 | Confident | 86.7 | Confident | 0 Ų | 0 | 3.9 Ų | 3.9 | 0% | 0 | 2% | 0.023 | C | C | . | . | trans | -59.8 | 153.2 | 174.5 | -29.9 | 40.5 | 0 | 0 | 0 | 114 | T69 I70 S72 F123 E126 V127 | T69-P118 WeakPolarHBondContact O-CA 3.24Å; T69-P118 VanDerWaalsContact O-CB 3.28Å; T69-P118 WeakPolarHBondContact O-CB 3.46Å; I70-P118 VanDerWaalsContact O-CG 3.3Å; I70-P118 WeakPolarHBondContact O-CG 3.46Å; S72-P118 WeakPolarHBondContact OG-CD 3.45Å; P118-F123 HydrophobicContact CB-CB 3.5Å; P118-F123 HydrophobicContact CB-CG 4.38Å; P118-F123 HydrophobicContact CG-CB 3.73Å; P118-E126 HydrophobicContact CG-CB 3.73Å; P118-E126 HydrophobicContact CG-CG 4.43Å; P118-V127 HydrophobicContact CB-CG2 4.36Å; P118-V127 WeakPolarHBondContact O-CG2 3.3Å | ||
| 119 | G | 73.8 | Confident | 86.5 | Confident | 8 Ų | 8 | 3.3 Ų | 3.3 | 8% | 0.082 | 2% | 0.019 | C | C | . | . | trans | -105.1 | -12.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A26 V28 | A26-G119 WeakPolarHBondContact O-CA 3.43Å; V28-G119 VanDerWaalsContact CG2-O 3.29Å; V28-G119 WeakPolarHBondContact CG2-O 3.41Å; V28-G119 PolarHBondContact N-O 3.37Å | ||
| 120 | H | 77.8 | Confident | 86.4 | Confident | 32 Ų | 32 | 3.5 Ų | 3.5 | 15% | 0.148 | 2% | 0.021 | C | C | . | . | S | Bend | trans | -89.5 | 140.1 | -179.6 | -166.9 | -72.2 | 0 | 0 | 0 | 110.6 | V28 D122 F123 | V28-H120 HydrophobicContact CG2-CB 3.8Å; H120-D122 VanDerWaalsContact C-N 3.35Å; H120-D122 IonicContact CE1-OD1 3.33Å; H120-D122 PolarHBondContact CE1-OD1 3.47Å; H120-D122 VanDerWaalsContact CE1-OD1 3.29Å; H120-D122 WeakPolarHBondContact ND1-CB 3.47Å; H120-D122 PolarHBondContact ND1-N 3.48Å; H120-D122 IonicContact ND1-OD1 3.55Å; H120-D122 PolarHBondContact O-N 3.17Å; H120-F123 HydrophobicContact CB-CD2 4.08Å; H120-F123 PolarHBondContact O-N 3.46Å |
| 121 | V | 75 | Confident | 86.3 | Confident | 2 Ų | 2 | 3.5 Ų | 3.5 | 1% | 0.012 | 2% | 0.021 | C | C | . | . | G | 310 helix | trans | -62.9 | -35.9 | -172.5 | 63.5 | 0 | 0 | 0 | 0 | 114.7 | F123 S124 V495 C806 V807 | V121-F123 PolarHBondContact O-N 3.41Å; V121-S124 WeakPolarHBondContact O-CB 3.33Å; V121-S124 PolarHBondContact O-N 3.4Å; V121-S124 PolarHBondContact O-OG 3.32Å; V121-V495 HydrophobicContact CG2-CG2 4.27Å; V121-C806 WeakPolarHBondContact CG1-O 3.44Å; V121-V807 HydrophobicContact CB-CG2 4.13Å; V121-V807 HydrophobicContact CG1-CG2 4.2Å; V121-V807 HydrophobicContact CG2-CB 4.08Å; V121-V807 HydrophobicContact CG2-CG1 3.82Å; V121-V807 HydrophobicContact CG2-CG2 3.46Å; V121-V807 VanDerWaalsContact CG2-CG2 3.46Å |
| 122 | D | 78.2 | Confident | 86.2 | Confident | 11 Ų | 11 | 4.1 Ų | 4.1 | 6% | 0.059 | 2% | 0.023 | C | C | . | . | G | 310 helix | trans | -49.7 | -28.8 | 172.3 | -77.7 | 35 | 0 | 0 | 0 | 113.8 | H120 L546 H547 | H120-D122 VanDerWaalsContact C-N 3.35Å; H120-D122 IonicContact CE1-OD1 3.33Å; H120-D122 PolarHBondContact CE1-OD1 3.47Å; H120-D122 VanDerWaalsContact CE1-OD1 3.29Å; H120-D122 WeakPolarHBondContact ND1-CB 3.47Å; H120-D122 PolarHBondContact ND1-N 3.48Å; H120-D122 IonicContact ND1-OD1 3.55Å; H120-D122 PolarHBondContact O-N 3.17Å; D122-L546 WeakPolarHBondContact OD2-CB 3.47Å; D122-H547 HydrophobicContact CB-CB 3.94Å; D122-H547 PolarHBondContact OD2-N 3.14Å |
| 123 | F | 82.2 | Confident | 86.2 | Confident | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 2% | 0.023 | C | C | . | . | G | 310 helix | trans | -108.6 | 22 | -179.5 | -51.8 | -64.7 | 0 | 0 | 0 | 112.9 | I70 P118 H120 V121 S125 E126 V127 L546 H547 I550 | I70-F123 HydrophobicContact CG1-CE2 4.23Å; I70-F123 HydrophobicContact CG1-CZ 4.48Å; I70-F123 HydrophobicContact CG2-CD1 4.28Å; I70-F123 HydrophobicContact CG2-CE1 3.95Å; I70-F123 HydrophobicContact CG2-CE2 4.43Å; I70-F123 HydrophobicContact CG2-CZ 4.08Å; P118-F123 HydrophobicContact CB-CB 3.5Å; P118-F123 HydrophobicContact CB-CG 4.38Å; P118-F123 HydrophobicContact CG-CB 3.73Å; H120-F123 HydrophobicContact CB-CD2 4.08Å; H120-F123 PolarHBondContact O-N 3.46Å; V121-F123 PolarHBondContact O-N 3.41Å; F123-S125 PolarHBondContact O-N 3.38Å; F123-E126 WeakPolarHBondContact O-CB 3.42Å; F123-E126 PolarHBondContact O-N 3.14Å; F123-V127 PolarHBondContact O-N 3.23Å; F123-L546 HydrophobicContact CE2-CD2 4.2Å; F123-H547 HydrophobicContact CE1-CB 4.49Å; F123-H547 AromaticContact CE1-CD2 3.91Å; F123-I550 HydrophobicContact CE1-CD1 4.3Å; F123-I550 HydrophobicContact CE2-CD1 4Å; F123-I550 HydrophobicContact CZ-CD1 3.38Å |
| 124 | S | 79.6 | Confident | 86.3 | Confident | 4 Ų | 4 | 4 Ų | 4 | 3% | 0.028 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -57.2 | -25.9 | 175.6 | 53.4 | 0 | 0 | 0 | 0 | 114.2 | V121 V127 T128 V495 | V121-S124 WeakPolarHBondContact O-CB 3.33Å; V121-S124 PolarHBondContact O-N 3.4Å; V121-S124 PolarHBondContact O-OG 3.32Å; S124-V127 WeakPolarHBondContact O-CB 3.43Å; S124-V127 PolarHBondContact O-N 3.06Å; S124-T128 PolarHBondContact O-N 2.75Å; S124-T128 PolarHBondContact O-OG1 2.8Å; S124-V495 WeakPolarHBondContact OG-CG2 3.32Å |
| 125 | S | 81.4 | Confident | 86.4 | Confident | 1 Ų | 1 | 4 Ų | 4 | 1% | 0.007 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -63.6 | -39.6 | 172.9 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | F123 V127 T128 A129 M527 | F123-S125 PolarHBondContact O-N 3.38Å; S125-V127 VanDerWaalsContact C-N 3.34Å; S125-T128 PolarHBondContact O-N 2.81Å; S125-A129 WeakPolarHBondContact O-CB 3.46Å; S125-A129 PolarHBondContact O-N 2.82Å; S125-M527 WeakPolarHBondContact OG-CB 3.44Å |
| 126 | E | 86.4 | Confident | 86.6 | Confident | 1 Ų | 1 | 4 Ų | 4 | 1% | 0.005 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -66.8 | -36.8 | 174.3 | -75.7 | -82.5 | 167.6 | 0 | 0 | 111.1 | K71 S72 P118 F123 A129 A130 K394 | K71-E126 WeakPolarHBondContact CD-OE1 3.31Å; K71-E126 IonicContact NZ-OE1 2.77Å; K71-E126 PolarHBondContact NZ-OE1 2.89Å; S72-E126 PolarHBondContact N-OE2 3.5Å; S72-E126 VanDerWaalsContact N-OE2 3.17Å; S72-E126 PolarHBondContact OG-O 3.03Å; S72-E126 PolarHBondContact OG-OE2 3.34Å; P118-E126 HydrophobicContact CG-CB 3.73Å; P118-E126 HydrophobicContact CG-CG 4.43Å; F123-E126 WeakPolarHBondContact O-CB 3.42Å; F123-E126 PolarHBondContact O-N 3.14Å; E126-A129 PolarHBondContact O-N 3.35Å; E126-A130 WeakPolarHBondContact O-CB 3.18Å; E126-A130 PolarHBondContact O-N 3.24Å; E126-K394 IonicContact OE2-NZ 3.25Å; E126-K394 PolarHBondContact OE2-NZ 3.29Å |
| 127 | V | 88.6 | Confident | 87 | Confident | 2 Ų | 2 | 4 Ų | 4 | 1% | 0.012 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -62.4 | -47.3 | 174 | -175.7 | 0 | 0 | 0 | 0 | 110.6 | I25 P118 F123 S124 S125 A129 A130 L131 V154 | I25-V127 HydrophobicContact CG2-CG1 4.16Å; P118-V127 HydrophobicContact CB-CG2 4.36Å; P118-V127 WeakPolarHBondContact O-CG2 3.3Å; F123-V127 PolarHBondContact O-N 3.23Å; S124-V127 WeakPolarHBondContact O-CB 3.43Å; S124-V127 PolarHBondContact O-N 3.06Å; S125-V127 VanDerWaalsContact C-N 3.34Å; V127-A129 VanDerWaalsContact C-N 3.34Å; V127-A129 PolarHBondContact O-N 3.21Å; V127-A130 WeakPolarHBondContact O-CB 3.47Å; V127-A130 PolarHBondContact O-N 3.12Å; V127-L131 HydrophobicContact CG1-CD1 3.9Å; V127-L131 HydrophobicContact CG1-CG 4.37Å; V127-L131 VanDerWaalsContact O-CG 3.3Å; V127-L131 WeakPolarHBondContact O-CG 3.34Å; V127-L131 PolarHBondContact O-N 2.82Å; V127-V154 HydrophobicContact CG1-CB 4.38Å; V127-V154 HydrophobicContact CG1-CG1 4.19Å |
| 128 | T | 87 | Confident | 87.5 | Confident | 6 Ų | 6 | 4 Ų | 4 | 4% | 0.037 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -61.7 | -43 | 177.6 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | S124 S125 A130 L131 R132 M491 | S124-T128 PolarHBondContact O-N 2.75Å; S124-T128 PolarHBondContact O-OG1 2.8Å; S125-T128 PolarHBondContact O-N 2.81Å; T128-A130 VanDerWaalsContact C-N 3.33Å; T128-A130 PolarHBondContact O-N 2.64Å; T128-L131 PolarHBondContact O-N 2.83Å; T128-R132 WeakPolarHBondContact O-CB 3.48Å; T128-R132 PolarHBondContact O-N 2.8Å; T128-M491 HydrophobicContact CG2-CB 4.35Å; T128-M491 HydrophobicContact CG2-CG 4.28Å; T128-M491 HydrophobicContact CG2-SD 4.23Å |
| 129 | A | 88.6 | Confident | 88.1 | Confident | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -62 | -39.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S125 E126 V127 M491 | S125-A129 WeakPolarHBondContact O-CB 3.46Å; S125-A129 PolarHBondContact O-N 2.82Å; E126-A129 PolarHBondContact O-N 3.35Å; V127-A129 VanDerWaalsContact C-N 3.34Å; V127-A129 PolarHBondContact O-N 3.21Å; A129-M491 VanDerWaalsContact CA-SD 3.55Å; A129-M491 HydrophobicContact CB-CE 4.26Å; A129-M491 HydrophobicContact CB-SD 3.97Å |
| 130 | A | 91.4 | Very high | 89.1 | Confident | 3 Ų | 3 | 3.7 Ų | 3.7 | 3% | 0.025 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -65.9 | -47.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | S23 I115 E126 V127 T128 R132 V133 T134 | S23-A130 PolarHBondContact OG-O 3.21Å; I115-A130 HydrophobicContact CB-CB 4.37Å; I115-A130 HydrophobicContact CG2-CB 3.61Å; E126-A130 WeakPolarHBondContact O-CB 3.18Å; E126-A130 PolarHBondContact O-N 3.24Å; V127-A130 WeakPolarHBondContact O-CB 3.47Å; V127-A130 PolarHBondContact O-N 3.12Å; T128-A130 VanDerWaalsContact C-N 3.33Å; T128-A130 PolarHBondContact O-N 2.64Å; A130-R132 VanDerWaalsContact C-N 3.26Å; A130-R132 PolarHBondContact O-N 3.02Å; A130-V133 WeakPolarHBondContact O-CG2 3.42Å; A130-V133 PolarHBondContact O-N 3.26Å; A130-T134 WeakPolarHBondContact O-CG2 3.36Å; A130-T134 PolarHBondContact O-N 3.13Å; A130-T134 PolarHBondContact O-OG1 3.41Å |
| 131 | L | 93.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 2.1 Ų | 2.1 | 0% | 0 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -62.1 | -34.7 | 179.4 | -69.7 | 169.3 | 0 | 0 | 0 | 112.1 | I25 V127 T128 V133 T134 A137 Q157 A158 E161 I163 R362 | I25-L131 HydrophobicContact CG2-CD2 4.15Å; V127-L131 HydrophobicContact CG1-CD1 3.9Å; V127-L131 HydrophobicContact CG1-CG 4.37Å; V127-L131 VanDerWaalsContact O-CG 3.3Å; V127-L131 WeakPolarHBondContact O-CG 3.34Å; V127-L131 PolarHBondContact O-N 2.82Å; T128-L131 PolarHBondContact O-N 2.83Å; L131-V133 PolarHBondContact O-N 3.37Å; L131-T134 WeakPolarHBondContact CA-OG1 3.37Å; L131-T134 PolarHBondContact O-N 2.82Å; L131-T134 PolarHBondContact O-OG1 3.29Å; L131-A137 HydrophobicContact CD2-CB 4.37Å; L131-Q157 HydrophobicContact CD1-CB 3.88Å; L131-A158 HydrophobicContact CD1-CB 4.1Å; L131-A158 HydrophobicContact CD2-CB 3.91Å; L131-E161 HydrophobicContact CB-CB 4.37Å; L131-E161 HydrophobicContact CB-CG 4.31Å; L131-I163 HydrophobicContact CB-CG1 4.31Å; L131-I163 HydrophobicContact CD2-CB 4.46Å; L131-I163 HydrophobicContact CD2-CG1 4.15Å; L131-I163 HydrophobicContact CD2-CG2 4.2Å; L131-I163 WeakPolarHBondContact O-CD1 3.48Å; L131-R362 PolarHBondContact O-NH2 3.45Å |
| 132 | R | 91.7 | Very high | 90.7 | Very high | 14 Ų | 14 | 2 Ų | 2 | 5% | 0.053 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -60.1 | -29.8 | 179.8 | -170.6 | 57.8 | 66.9 | 114.4 | 1.3 | 113.1 | T128 A130 E161 R362 L366 Y391 R489 M491 | T128-R132 WeakPolarHBondContact O-CB 3.48Å; T128-R132 PolarHBondContact O-N 2.8Å; A130-R132 VanDerWaalsContact C-N 3.26Å; A130-R132 PolarHBondContact O-N 3.02Å; R132-E161 WeakPolarHBondContact CD-OE2 3.42Å; R132-E161 IonicContact CZ-OE1 3.49Å; R132-E161 VanDerWaalsContact CZ-OE1 3.32Å; R132-E161 IonicContact CZ-OE2 3.44Å; R132-E161 VanDerWaalsContact CZ-OE2 3.32Å; R132-E161 VanDerWaalsContact NE-CD 3.3Å; R132-E161 IonicContact NE-OE1 3Å; R132-E161 PolarHBondContact NE-OE1 3.49Å; R132-E161 IonicContact NE-OE2 2.82Å; R132-E161 PolarHBondContact NE-OE2 2.96Å; R132-E161 IonicContact NH2-OE1 2.98Å; R132-E161 PolarHBondContact NH2-OE1 3.15Å; R132-E161 IonicContact NH2-OE2 2.98Å; R132-E161 PolarHBondContact NH2-OE2 3.36Å; R132-R362 PolarHBondContact O-NH2 3.11Å; R132-L366 VanDerWaalsContact CD-CD2 3.41Å; R132-Y391 HydrophobicContact CB-CE1 4.42Å; R132-Y391 HydrophobicContact CG-CD1 3.68Å; R132-Y391 HydrophobicContact CG-CE1 3.44Å; R132-Y391 VanDerWaalsContact CG-CE1 3.44Å; R132-R489 PolarHBondContact NH1-O 2.86Å; R132-M491 HydrophobicContact CB-SD 4.39Å |
| 133 | V | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 1.6 Ų | 1.6 | 0% | 0 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -100.9 | -6.4 | -179.5 | -64.6 | 0 | 0 | 0 | 0 | 114.1 | I115 A130 L131 F407 R409 I463 | I115-V133 HydrophobicContact CD1-CG2 3.37Å; A130-V133 WeakPolarHBondContact O-CG2 3.42Å; A130-V133 PolarHBondContact O-N 3.26Å; L131-V133 PolarHBondContact O-N 3.37Å; V133-F407 HydrophobicContact CG2-CE1 4.07Å; V133-R409 HydrophobicContact CB-CB 3.96Å; V133-R409 HydrophobicContact CG1-CB 3.89Å; V133-R409 WeakPolarHBondContact O-CD 3.24Å; V133-R409 PolarHBondContact O-NH1 3.06Å; V133-I463 HydrophobicContact CB-CG2 4.28Å |
| 134 | T | 96.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 1% | 0.012 | C | C | . | . | trans | -103.6 | 168.6 | 179.7 | 57.1 | 0 | 0 | 0 | 0 | 112.4 | N21 M22 S23 I115 A130 L131 I163 R362 | N21-T134 HydrophobicContact CB-CG2 4.43Å; M22-T134 VanDerWaalsContact C-CG2 3.46Å; S23-T134 WeakPolarHBondContact OG-CG2 3.36Å; S23-T134 PolarHBondContact OG-OG1 2.83Å; I115-T134 HydrophobicContact CB-CG2 4.44Å; I115-T134 HydrophobicContact CD1-CG2 3.68Å; I115-T134 HydrophobicContact CG1-CG2 4.03Å; A130-T134 WeakPolarHBondContact O-CG2 3.36Å; A130-T134 PolarHBondContact O-N 3.13Å; A130-T134 PolarHBondContact O-OG1 3.41Å; L131-T134 WeakPolarHBondContact CA-OG1 3.37Å; L131-T134 PolarHBondContact O-N 2.82Å; L131-T134 PolarHBondContact O-OG1 3.29Å; T134-I163 WeakPolarHBondContact O-CD1 3.48Å; T134-R362 PolarHBondContact O-NH1 2.93Å | ||
| 135 | D | 96.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 2% | 0.016 | C | C | . | . | S | Bend | trans | -114.8 | -23.3 | -178 | -63.6 | -51.6 | 0 | 0 | 0 | 112.6 | N21 K164 P353 A358 R362 R409 | N21-D135 PolarHBondContact ND2-OD2 2.7Å; N21-D135 PolarHBondContact O-N 3.49Å; D135-K164 PolarHBondContact O-N 3.27Å; D135-P353 HydrophobicContact CB-CG 4.17Å; D135-A358 HydrophobicContact CB-CB 3.67Å; D135-A358 VanDerWaalsContact CG-CB 3.5Å; D135-A358 WeakPolarHBondContact OD1-CB 3.39Å; D135-R362 IonicContact OD1-NH1 3.72Å; D135-R409 IonicContact OD1-CZ 3.02Å; D135-R409 VanDerWaalsContact OD1-CZ 3.23Å; D135-R409 IonicContact OD1-NH1 3.25Å; D135-R409 PolarHBondContact OD1-NH1 2.92Å; D135-R409 IonicContact OD1-NH2 3.93Å; D135-R409 PolarHBondContact OD1-NH2 3.32Å; D135-R409 IonicContact OD2-CZ 3.08Å; D135-R409 IonicContact OD2-NH1 3.23Å; D135-R409 PolarHBondContact OD2-NH1 3.08Å; D135-R409 IonicContact OD2-NH2 2.74Å; D135-R409 PolarHBondContact OD2-NH2 2.82Å |
| 136 | G | 96.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.02 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 164.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | N21 M22 S23 K164 | N21-G136 PolarHBondContact O-N 3.49Å; N21-G136 VanDerWaalsContact O-N 3.15Å; M22-G136 WeakPolarHBondContact CA-O 3.49Å; M22-G136 WeakPolarHBondContact CB-O 3.41Å; S23-G136 PolarHBondContact N-O 2.85Å; G136-K164 CarbonylContact C-O 3.39Å; G136-K164 WeakPolarHBondContact CA-O 3.22Å |
| 137 | A | 96.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 3% | 0.027 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 135.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S23 I25 L131 A158 I163 K164 P165 V166 | S23-A137 CarbonylContact O-C 3.52Å; S23-A137 VanDerWaalsContact O-CA 3.26Å; S23-A137 WeakPolarHBondContact O-CA 3.16Å; I25-A137 HydrophobicContact CD1-CB 3.69Å; I25-A137 HydrophobicContact CG1-CB 4.09Å; L131-A137 HydrophobicContact CD2-CB 4.37Å; A137-A158 HydrophobicContact CB-CB 4.49Å; A137-I163 HydrophobicContact CB-CG2 3.73Å; A137-K164 PolarHBondContact N-O 2.83Å; A137-P165 CarbonylContact O-C 2.97Å; A137-P165 WeakPolarHBondContact O-CA 3.43Å; A137-V166 WeakPolarHBondContact O-CG2 3.4Å; A137-V166 PolarHBondContact O-N 2.9Å |
| 138 | L | 97 | Very high | 91.2 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 3% | 0.028 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 103.8 | 167.8 | -179.3 | 64.6 | 0 | 0 | 0 | 108.2 | M22 S23 V24 I25 L35 L39 V140 V166 F168 M347 | M22-L138 HydrophobicContact CE-CB 3.64Å; S23-L138 PolarHBondContact O-N 3.33Å; V24-L138 HydrophobicContact CG1-CB 4.43Å; V24-L138 HydrophobicContact CG1-CD2 4.28Å; V24-L138 HydrophobicContact CG1-CG 4.47Å; V24-L138 HydrophobicContact CG2-CD2 4.47Å; I25-L138 PolarHBondContact N-O 3.37Å; L35-L138 HydrophobicContact CD2-CD2 4.07Å; L39-L138 HydrophobicContact CD1-CD2 4.41Å; L138-V140 HydrophobicContact CG-CG2 4.29Å; L138-V166 HydrophobicContact CB-CG2 4.43Å; L138-V166 HydrophobicContact CD1-CG2 3.75Å; L138-F168 HydrophobicContact CD1-CB 3.86Å; L138-F168 HydrophobicContact CG-CB 4.49Å; L138-M347 HydrophobicContact CD1-CE 3.41Å; L138-M347 VanDerWaalsContact CD1-CE 3.41Å |
| 139 | V | 96.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 5 Ų | 5 | 1% | 0.006 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 114.7 | 178.3 | -172.4 | 0 | 0 | 0 | 0 | 108.6 | I25 V141 T151 L155 P165 V166 L167 F168 | I25-V139 HydrophobicContact CD1-CG2 4.04Å; I25-V139 HydrophobicContact CG1-CB 4.46Å; I25-V139 HydrophobicContact CG1-CG2 4.05Å; I25-V139 CarbonylContact O-C 3.51Å; I25-V139 WeakPolarHBondContact O-CA 3.28Å; V139-V141 HydrophobicContact CG1-CG2 4.17Å; V139-T151 HydrophobicContact CG1-CG2 4.09Å; V139-L155 HydrophobicContact CG2-CD1 4Å; V139-P165 HydrophobicContact CG2-CB 3.8Å; V139-V166 PolarHBondContact N-O 3.09Å; V139-L167 HydrophobicContact CB-CD1 4.24Å; V139-L167 HydrophobicContact CG1-CD1 4.18Å; V139-F168 PolarHBondContact O-N 3.3Å |
| 140 | V | 95.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.032 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 122.5 | -179.6 | -171.8 | 0 | 0 | 0 | 0 | 110.4 | V24 I25 A26 H30 L35 L138 F168 N170 | V24-V140 HydrophobicContact CG1-CG2 3.6Å; I25-V140 PolarHBondContact O-N 2.72Å; A26-V140 HydrophobicContact CB-CB 3.8Å; H30-V140 HydrophobicContact CB-CG1 4.5Å; H30-V140 PolarHBondContact ND1-O 3.01Å; L35-V140 HydrophobicContact CD2-CG1 4.09Å; L35-V140 HydrophobicContact CD2-CG2 3.58Å; L138-V140 HydrophobicContact CG-CG2 4.29Å; V140-F168 WeakPolarHBondContact CA-O 3.35Å; V140-F168 HydrophobicContact CG1-CD1 4.45Å; V140-N170 HydrophobicContact CG1-CB 3.79Å |
| 141 | V | 93.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 129.4 | -178.5 | 179.4 | 0 | 0 | 0 | 0 | 109.7 | H30 V139 C143 G146 T151 L167 F168 M169 N170 I193 | H30-V141 WeakPolarHBondContact ND1-CA 3.09Å; V139-V141 HydrophobicContact CG1-CG2 4.17Å; V141-C143 PolarHBondContact O-N 2.9Å; V141-G146 VanDerWaalsContact CG1-C 3.43Å; V141-G146 VanDerWaalsContact CG1-O 3.27Å; V141-G146 WeakPolarHBondContact CG1-O 3.32Å; V141-T151 HydrophobicContact CG2-CG2 3.8Å; V141-L167 HydrophobicContact CB-CD1 4.11Å; V141-L167 HydrophobicContact CG2-CD1 3.54Å; V141-F168 PolarHBondContact N-O 3.19Å; V141-M169 CarbonylContact O-C 3.58Å; V141-M169 VanDerWaalsContact O-CA 3.32Å; V141-M169 WeakPolarHBondContact O-CA 3.32Å; V141-N170 PolarHBondContact O-N 3.14Å; V141-I193 HydrophobicContact CB-CG2 4.33Å; V141-I193 HydrophobicContact CG1-CG2 3.75Å |
| 142 | D | 91.6 | Very high | 89 | Confident | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 124.8 | 169.7 | -176 | -19.4 | 0 | 0 | 0 | 108.5 | H30 V144 S145 G146 K171 R174 | H30-D142 PolarHBondContact ND1-N 2.82Å; D142-V144 PolarHBondContact O-N 2.88Å; D142-V144 WeakPolarHBondContact OD1-CB 3.4Å; D142-V144 PolarHBondContact OD1-N 3.35Å; D142-S145 PolarHBondContact O-N 2.96Å; D142-G146 WeakPolarHBondContact O-CA 3.24Å; D142-G146 PolarHBondContact O-N 3.35Å; D142-K171 VanDerWaalsContact OD2-CD 3.26Å; D142-K171 WeakPolarHBondContact OD2-CD 3.3Å; D142-K171 VanDerWaalsContact OD2-CE 3.3Å; D142-K171 WeakPolarHBondContact OD2-CE 3.35Å; D142-K171 IonicContact OD2-NZ 3.63Å; D142-K171 PolarHBondContact OD2-NZ 2.83Å; D142-R174 IonicContact OD2-NH1 3.42Å |
| 143 | C | 90.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 7.4 Ų | 7.4 | 1% | 0.007 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -18 | -179.5 | 69.8 | 0 | 0 | 0 | 0 | 113.8 | V141 M169 N170 M172 T189 F190 I193 | V141-C143 PolarHBondContact O-N 2.9Å; C143-M169 HydrophobicContact CB-CB 4.35Å; C143-N170 PolarHBondContact N-O 3.27Å; C143-N170 PolarHBondContact SG-O 3.25Å; C143-M172 VanDerWaalsContact SG-CA 3.57Å; C143-T189 WeakPolarHBondContact O-CG2 3.28Å; C143-F190 HydrophobicContact CB-CD1 4.29Å; C143-F190 HydrophobicContact CB-CE1 3.73Å; C143-I193 HydrophobicContact CB-CD1 4.48Å |
| 144 | V | 87.2 | Confident | 88.1 | Confident | 13 Ų | 13 | 7.6 Ų | 7.6 | 8% | 0.079 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -52.7 | 175.8 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | D142 R174 A175 L179 T773 | D142-V144 PolarHBondContact O-N 2.88Å; D142-V144 WeakPolarHBondContact OD1-CB 3.4Å; D142-V144 PolarHBondContact OD1-N 3.35Å; V144-R174 HydrophobicContact CG2-CB 4.07Å; V144-A175 HydrophobicContact CG2-CB 4.34Å; V144-L179 HydrophobicContact CB-CD1 4.41Å; V144-L179 HydrophobicContact CG1-CD1 3.74Å; V144-L179 HydrophobicContact CG2-CD1 3.88Å; V144-T773 HydrophobicContact CG1-CG2 4.47Å |
| 145 | S | 81.9 | Confident | 87.8 | Confident | 15 Ų | 15 | 7.6 Ų | 7.6 | 11% | 0.105 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -30.5 | -178.6 | -63.7 | 0 | 0 | 0 | 0 | 113.3 | D142 Q744 | D142-S145 PolarHBondContact O-N 2.96Å; S145-Q744 VanDerWaalsContact CB-NE2 3.35Å; S145-Q744 PolarHBondContact OG-NE2 3.31Å; S145-Q744 PolarHBondContact OG-OE1 2.9Å |
| 146 | G | 86.6 | Confident | 87.2 | Confident | 8 Ų | 8 | 12.2 Ų | 12.2 | 8% | 0.082 | 6% | 0.062 | C | C | . | . | trans | 72.2 | -155.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | H30 V141 D142 C148 | H30-G146 PolarHBondContact CE1-O 3.37Å; V141-G146 VanDerWaalsContact CG1-C 3.43Å; V141-G146 VanDerWaalsContact CG1-O 3.27Å; V141-G146 WeakPolarHBondContact CG1-O 3.32Å; D142-G146 WeakPolarHBondContact O-CA 3.24Å; D142-G146 PolarHBondContact O-N 3.35Å; G146-C148 PolarHBondContact O-N 3.25Å | ||
| 147 | V | 83.2 | Confident | 86.7 | Confident | 27 Ų | 27 | 13.2 Ų | 13.2 | 16% | 0.164 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -78.8 | 117.4 | -177.8 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | T151 I193 N196 I200 | V147-T151 HydrophobicContact CG1-CG2 3.96Å; V147-I193 HydrophobicContact CG2-CG2 4.22Å; V147-N196 HydrophobicContact CB-CB 4.24Å; V147-N196 HydrophobicContact CG2-CB 3.94Å; V147-I200 HydrophobicContact CG1-CD1 3.46Å; V147-I200 VanDerWaalsContact CG1-CD1 3.46Å |
| 148 | C | 79.1 | Confident | 86.5 | Confident | 5 Ų | 5 | 13.2 Ų | 13.2 | 3% | 0.034 | 7% | 0.067 | C | C | . | . | trans | -105.9 | 171.2 | 177.5 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | H27 G146 Q150 T151 E152 | H27-C148 HydrophobicContact CB-CB 4.49Å; H27-C148 WeakPolarHBondContact CE1-CB 3.32Å; H27-C148 WeakPolarHBondContact ND1-CB 3.45Å; G146-C148 PolarHBondContact O-N 3.25Å; C148-Q150 VanDerWaalsContact C-N 3.29Å; C148-Q150 PolarHBondContact O-N 3.19Å; C148-T151 WeakPolarHBondContact O-CA 3.38Å; C148-T151 VanDerWaalsContact O-CB 3.25Å; C148-T151 WeakPolarHBondContact O-CB 3.4Å; C148-T151 PolarHBondContact O-N 3.4Å; C148-E152 PolarHBondContact O-N 2.9Å | ||
| 149 | V | 71.5 | Confident | 86.2 | Confident | 17 Ų | 17 | 13.5 Ų | 13.5 | 10% | 0.103 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.1 | -36.2 | -176.7 | 158.3 | 0 | 0 | 0 | 0 | 113.6 | E152 T153 E742 | V149-E152 WeakPolarHBondContact O-CB 3.27Å; V149-E152 PolarHBondContact O-N 3Å; V149-T153 WeakPolarHBondContact O-CB 3.49Å; V149-T153 PolarHBondContact O-N 3.34Å; V149-T153 PolarHBondContact O-OG1 2.86Å; V149-E742 HydrophobicContact CB-CB 4.41Å; V149-E742 WeakPolarHBondContact CB-OE1 3.34Å; V149-E742 HydrophobicContact CG2-CB 4.43Å; V149-E742 VanDerWaalsContact CG2-CD 3.41Å; V149-E742 HydrophobicContact CG2-CG 4.5Å; V149-E742 WeakPolarHBondContact CG2-OE2 3.27Å; V149-E742 PolarHBondContact N-OE1 2.63Å |
| 150 | Q | 76.7 | Confident | 85.7 | Confident | 3 Ų | 3 | 15.9 Ų | 15.9 | 1% | 0.014 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -72.8 | -32.5 | 175.1 | -57.8 | -59.7 | -39.3 | 0 | 0 | 112.7 | H27 C148 E152 T153 V154 Q805 V807 | H27-Q150 HydrophobicContact CB-CB 4.08Å; H27-Q150 WeakPolarHBondContact ND1-CB 3.3Å; C148-Q150 VanDerWaalsContact C-N 3.29Å; C148-Q150 PolarHBondContact O-N 3.19Å; Q150-E152 PolarHBondContact O-N 3.22Å; Q150-T153 PolarHBondContact O-N 3.44Å; Q150-V154 WeakPolarHBondContact O-CG1 3.45Å; Q150-V154 VanDerWaalsContact O-CG2 3.25Å; Q150-V154 WeakPolarHBondContact O-CG2 3.34Å; Q150-V154 PolarHBondContact O-N 2.95Å; Q150-Q805 VanDerWaalsContact CG-CD 3.49Å; Q150-V807 VanDerWaalsContact NE2-CG2 3.31Å |
| 151 | T | 84.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.6 | -44.3 | 171.5 | -57.6 | 0 | 0 | 0 | 0 | 109.5 | V139 V141 V147 C148 L155 | V139-T151 HydrophobicContact CG1-CG2 4.09Å; V141-T151 HydrophobicContact CG2-CG2 3.8Å; V147-T151 HydrophobicContact CG1-CG2 3.96Å; C148-T151 WeakPolarHBondContact O-CA 3.38Å; C148-T151 VanDerWaalsContact O-CB 3.25Å; C148-T151 WeakPolarHBondContact O-CB 3.4Å; C148-T151 PolarHBondContact O-N 3.4Å; T151-L155 WeakPolarHBondContact O-CB 3.49Å; T151-L155 PolarHBondContact O-N 3.48Å |
| 152 | E | 80.8 | Confident | 85.5 | Confident | 58 Ų | 58 | 19 Ų | 19 | 27% | 0.271 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -61.6 | -47.6 | 172.4 | -175.9 | -176.4 | 162.9 | 0 | 0 | 112 | C148 V149 Q150 V154 L155 R156 I200 Y204 | C148-E152 PolarHBondContact O-N 2.9Å; V149-E152 WeakPolarHBondContact O-CB 3.27Å; V149-E152 PolarHBondContact O-N 3Å; Q150-E152 PolarHBondContact O-N 3.22Å; E152-V154 PolarHBondContact O-N 2.91Å; E152-L155 PolarHBondContact O-N 3.43Å; E152-R156 WeakPolarHBondContact O-CB 3.46Å; E152-R156 PolarHBondContact O-N 3.35Å; E152-I200 HydrophobicContact CB-CD1 3.79Å; E152-I200 HydrophobicContact CB-CG1 4.44Å; E152-I200 HydrophobicContact CG-CD1 3.92Å; E152-I200 HydrophobicContact CG-CG1 4.02Å; E152-I200 HydrophobicContact CG-CG2 4Å; E152-Y204 HydrophobicContact CG-CE2 4.11Å; E152-Y204 PolarHBondContact OE1-OH 3.02Å |
| 153 | T | 79.8 | Confident | 85.6 | Confident | 8 Ų | 8 | 19 Ų | 19 | 5% | 0.049 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.6 | -49 | -177 | -61.2 | 0 | 0 | 0 | 0 | 111.9 | V149 Q150 R156 Q157 | V149-T153 WeakPolarHBondContact O-CB 3.49Å; V149-T153 PolarHBondContact O-N 3.34Å; V149-T153 PolarHBondContact O-OG1 2.86Å; Q150-T153 PolarHBondContact O-N 3.44Å; T153-R156 PolarHBondContact O-N 3.22Å; T153-Q157 VanDerWaalsContact O-CG 3.3Å; T153-Q157 WeakPolarHBondContact O-CG 3.16Å; T153-Q157 PolarHBondContact O-N 3.19Å |
| 154 | V | 88.4 | Confident | 85.9 | Confident | 4 Ų | 4 | 21.5 Ų | 21.5 | 2% | 0.024 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -71.3 | -33.4 | -179.9 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | I25 V127 Q150 E152 Q157 A158 | I25-V154 HydrophobicContact CB-CB 4.11Å; I25-V154 HydrophobicContact CB-CG2 3.85Å; I25-V154 HydrophobicContact CD1-CB 4.35Å; I25-V154 HydrophobicContact CD1-CG2 4.06Å; I25-V154 HydrophobicContact CG1-CG2 4.05Å; V127-V154 HydrophobicContact CG1-CB 4.38Å; V127-V154 HydrophobicContact CG1-CG1 4.19Å; Q150-V154 WeakPolarHBondContact O-CG1 3.45Å; Q150-V154 VanDerWaalsContact O-CG2 3.25Å; Q150-V154 WeakPolarHBondContact O-CG2 3.34Å; Q150-V154 PolarHBondContact O-N 2.95Å; E152-V154 PolarHBondContact O-N 2.91Å; V154-Q157 PolarHBondContact O-N 3.38Å; V154-A158 WeakPolarHBondContact O-CB 3.3Å; V154-A158 PolarHBondContact O-N 2.82Å |
| 155 | L | 88.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.2 | -42 | 175 | -176.9 | 54.3 | 0 | 0 | 0 | 111.2 | V139 T151 E152 A158 I159 P165 T197 I200 I201 | V139-L155 HydrophobicContact CG2-CD1 4Å; T151-L155 WeakPolarHBondContact O-CB 3.49Å; T151-L155 PolarHBondContact O-N 3.48Å; E152-L155 PolarHBondContact O-N 3.43Å; L155-A158 WeakPolarHBondContact O-CB 3.42Å; L155-A158 PolarHBondContact O-N 2.97Å; L155-I159 HydrophobicContact CD1-CD1 4.17Å; L155-I159 HydrophobicContact CD1-CG1 4.34Å; L155-I159 HydrophobicContact CG-CD1 3.97Å; L155-I159 WeakPolarHBondContact O-CD1 3.4Å; L155-I159 VanDerWaalsContact O-CG1 3.25Å; L155-I159 WeakPolarHBondContact O-CG1 3.11Å; L155-I159 PolarHBondContact O-N 2.93Å; L155-P165 HydrophobicContact CD1-CB 3.91Å; L155-P165 HydrophobicContact CD1-CG 4.21Å; L155-T197 HydrophobicContact CD2-CG2 3.86Å; L155-I200 HydrophobicContact CB-CG2 4.3Å; L155-I200 HydrophobicContact CD2-CB 4.1Å; L155-I200 HydrophobicContact CD2-CG2 3.75Å; L155-I200 HydrophobicContact CG-CG2 3.98Å; L155-I201 HydrophobicContact CD1-CG1 4.46Å; L155-I201 HydrophobicContact CD2-CG1 4.15Å |
| 156 | R | 84.2 | Confident | 87.1 | Confident | 96 Ų | 96 | 20.4 Ų | 20.4 | 36% | 0.362 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -58.9 | -45.7 | 172 | 178 | 177.1 | 69.5 | -167.2 | 0.6 | 111.5 | E152 T153 I159 G160 Y204 | E152-R156 WeakPolarHBondContact O-CB 3.46Å; E152-R156 PolarHBondContact O-N 3.35Å; T153-R156 PolarHBondContact O-N 3.22Å; R156-I159 PolarHBondContact O-N 3.05Å; R156-G160 PolarHBondContact O-N 3.33Å; R156-Y204 HydrophobicContact CB-CD2 3.95Å; R156-Y204 HydrophobicContact CB-CE2 4.05Å; R156-Y204 HydrophobicContact CB-CG 4.26Å; R156-Y204 VanDerWaalsContact CD-CZ 3.41Å; R156-Y204 HydrophobicContact CG-CD1 3.81Å; R156-Y204 HydrophobicContact CG-CD2 3.98Å; R156-Y204 HydrophobicContact CG-CE1 3.91Å; R156-Y204 HydrophobicContact CG-CE2 4.09Å; R156-Y204 HydrophobicContact CG-CG 3.84Å; R156-Y204 PolarHBondContact NH1-OH 2.64Å |
| 157 | Q | 86.9 | Confident | 87.7 | Confident | 21 Ų | 21 | 20 Ų | 20 | 10% | 0.098 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.4 | -45.6 | 174 | -75 | 173.3 | -14.4 | 0 | 0 | 111.5 | L131 T153 V154 I159 G160 E161 S494 | L131-Q157 HydrophobicContact CD1-CB 3.88Å; T153-Q157 VanDerWaalsContact O-CG 3.3Å; T153-Q157 WeakPolarHBondContact O-CG 3.16Å; T153-Q157 PolarHBondContact O-N 3.19Å; V154-Q157 PolarHBondContact O-N 3.38Å; Q157-I159 PolarHBondContact O-N 2.56Å; Q157-G160 PolarHBondContact O-N 3Å; Q157-E161 WeakPolarHBondContact O-CB 3.26Å; Q157-E161 WeakPolarHBondContact O-CG 3.47Å; Q157-E161 PolarHBondContact O-N 2.92Å; Q157-S494 PolarHBondContact NE2-OG 3.48Å |
| 158 | A | 92.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.1 | -46.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I25 L131 A137 V154 L155 E161 R162 I163 | I25-A158 HydrophobicContact CD1-CB 3.82Å; L131-A158 HydrophobicContact CD1-CB 4.1Å; L131-A158 HydrophobicContact CD2-CB 3.91Å; A137-A158 HydrophobicContact CB-CB 4.49Å; V154-A158 WeakPolarHBondContact O-CB 3.3Å; V154-A158 PolarHBondContact O-N 2.82Å; L155-A158 WeakPolarHBondContact O-CB 3.42Å; L155-A158 PolarHBondContact O-N 2.97Å; A158-E161 CarbonylContact O-C 3.51Å; A158-E161 PolarHBondContact O-N 3.48Å; A158-R162 PolarHBondContact O-N 2.86Å; A158-I163 HydrophobicContact CB-CB 4.07Å; A158-I163 HydrophobicContact CB-CG2 4.44Å; A158-I163 WeakPolarHBondContact O-CA 3.41Å; A158-I163 WeakPolarHBondContact O-CB 3.19Å; A158-I163 WeakPolarHBondContact O-CG1 3.49Å; A158-I163 PolarHBondContact O-N 3.2Å |
| 159 | I | 90.5 | Very high | 89.2 | Confident | 7 Ų | 7 | 18.5 Ų | 18.5 | 4% | 0.036 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.9 | -44.3 | 178.5 | -64.9 | 161 | 0 | 0 | 0 | 111.1 | L155 R156 Q157 E161 R162 I201 Y204 M211 I214 | L155-I159 HydrophobicContact CD1-CD1 4.17Å; L155-I159 HydrophobicContact CD1-CG1 4.34Å; L155-I159 HydrophobicContact CG-CD1 3.97Å; L155-I159 WeakPolarHBondContact O-CD1 3.4Å; L155-I159 VanDerWaalsContact O-CG1 3.25Å; L155-I159 WeakPolarHBondContact O-CG1 3.11Å; L155-I159 PolarHBondContact O-N 2.93Å; R156-I159 PolarHBondContact O-N 3.05Å; Q157-I159 PolarHBondContact O-N 2.56Å; I159-E161 PolarHBondContact O-N 3.06Å; I159-R162 WeakPolarHBondContact O-CA 3.48Å; I159-R162 PolarHBondContact O-N 3.06Å; I159-I201 HydrophobicContact CD1-CB 4.43Å; I159-I201 HydrophobicContact CD1-CG1 4.11Å; I159-Y204 VanDerWaalsContact CG2-O 3.27Å; I159-Y204 WeakPolarHBondContact CG2-O 3.45Å; I159-M211 HydrophobicContact CG2-CE 4.39Å; I159-I214 HydrophobicContact CG1-CD1 4.16Å; I159-I214 HydrophobicContact CG2-CD1 4.47Å |
| 160 | G | 85.9 | Confident | 90.4 | Very high | 51 Ų | 51 | 17.8 Ų | 17.8 | 53% | 0.526 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -60.6 | -31.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R156 Q157 R162 L365 | R156-G160 PolarHBondContact O-N 3.33Å; Q157-G160 PolarHBondContact O-N 3Å; G160-R162 PolarHBondContact O-N 2.73Å; G160-L365 WeakPolarHBondContact O-CD2 3.32Å |
| 161 | E | 90.7 | Very high | 91.2 | Very high | 19 Ų | 19 | 19.6 Ų | 19.6 | 9% | 0.089 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 7.2 | 173.7 | -70.5 | -65.2 | 161 | 0 | 0 | 113.9 | L131 R132 Q157 A158 I159 I163 R362 | L131-E161 HydrophobicContact CB-CB 4.37Å; L131-E161 HydrophobicContact CB-CG 4.31Å; R132-E161 WeakPolarHBondContact CD-OE2 3.42Å; R132-E161 IonicContact CZ-OE1 3.49Å; R132-E161 VanDerWaalsContact CZ-OE1 3.32Å; R132-E161 IonicContact CZ-OE2 3.44Å; R132-E161 VanDerWaalsContact CZ-OE2 3.32Å; R132-E161 VanDerWaalsContact NE-CD 3.3Å; R132-E161 IonicContact NE-OE1 3Å; R132-E161 PolarHBondContact NE-OE1 3.49Å; R132-E161 IonicContact NE-OE2 2.82Å; R132-E161 PolarHBondContact NE-OE2 2.96Å; R132-E161 IonicContact NH2-OE1 2.98Å; R132-E161 PolarHBondContact NH2-OE1 3.15Å; R132-E161 IonicContact NH2-OE2 2.98Å; R132-E161 PolarHBondContact NH2-OE2 3.36Å; Q157-E161 WeakPolarHBondContact O-CB 3.26Å; Q157-E161 WeakPolarHBondContact O-CG 3.47Å; Q157-E161 PolarHBondContact O-N 2.92Å; A158-E161 CarbonylContact O-C 3.51Å; A158-E161 PolarHBondContact O-N 3.48Å; I159-E161 PolarHBondContact O-N 3.06Å; E161-I163 HydrophobicContact CB-CD1 4.48Å; E161-I163 HydrophobicContact CB-CG1 3.8Å; E161-R362 PolarHBondContact O-NE 3.42Å; E161-R362 PolarHBondContact O-NH2 2.84Å |
| 162 | R | 93.8 | Very high | 91.6 | Very high | 45 Ų | 45 | 19.6 Ų | 19.6 | 17% | 0.17 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 50.5 | -173.5 | -70 | 176.5 | -175 | -173.6 | 0.8 | 111.8 | A158 I159 G160 M211 Y361 R362 E364 L365 | A158-R162 PolarHBondContact O-N 2.86Å; I159-R162 WeakPolarHBondContact O-CA 3.48Å; I159-R162 PolarHBondContact O-N 3.06Å; G160-R162 PolarHBondContact O-N 2.73Å; R162-M211 WeakPolarHBondContact CA-SD 3.46Å; R162-M211 HydrophobicContact CB-CE 4.28Å; R162-M211 HydrophobicContact CB-CG 4.17Å; R162-M211 HydrophobicContact CB-SD 3.7Å; R162-M211 HydrophobicContact CG-CE 4.26Å; R162-M211 HydrophobicContact CG-CG 4.37Å; R162-M211 HydrophobicContact CG-SD 4.22Å; R162-Y361 HydrophobicContact CB-CD2 4.08Å; R162-Y361 HydrophobicContact CB-CE2 4.04Å; R162-Y361 WeakPolarHBondContact CD-O 3.39Å; R162-Y361 PolarHBondContact NH1-O 3.17Å; R162-Y361 WeakPolarHBondContact O-CE2 3.49Å; R162-R362 HydrophobicContact CB-CG 3.95Å; R162-R362 WeakPolarHBondContact O-CD 3.24Å; R162-E364 IonicContact CZ-OE2 3.6Å; R162-E364 IonicContact NH1-OE2 3.82Å; R162-E364 PolarHBondContact NH1-OE2 3.05Å; R162-E364 IonicContact NH2-OE2 3.24Å; R162-E364 PolarHBondContact NH2-OE2 2.83Å; R162-L365 HydrophobicContact CB-CD2 4.12Å; R162-L365 HydrophobicContact CG-CD2 3.88Å |
| 163 | I | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | P | Polyproline II helix | trans | -103.9 | 130.3 | 178.7 | -55.5 | -58.3 | 0 | 0 | 0 | 110.2 | L131 T134 A137 A158 E161 P165 R362 | L131-I163 HydrophobicContact CB-CG1 4.31Å; L131-I163 HydrophobicContact CD2-CB 4.46Å; L131-I163 HydrophobicContact CD2-CG1 4.15Å; L131-I163 HydrophobicContact CD2-CG2 4.2Å; L131-I163 WeakPolarHBondContact O-CD1 3.48Å; T134-I163 WeakPolarHBondContact O-CD1 3.48Å; A137-I163 HydrophobicContact CB-CG2 3.73Å; A158-I163 HydrophobicContact CB-CB 4.07Å; A158-I163 HydrophobicContact CB-CG2 4.44Å; A158-I163 WeakPolarHBondContact O-CA 3.41Å; A158-I163 WeakPolarHBondContact O-CB 3.19Å; A158-I163 WeakPolarHBondContact O-CG1 3.49Å; A158-I163 PolarHBondContact O-N 3.2Å; E161-I163 HydrophobicContact CB-CD1 4.48Å; E161-I163 HydrophobicContact CB-CG1 3.8Å; I163-P165 WeakPolarHBondContact O-CD 3.31Å; I163-R362 VanDerWaalsContact CD1-CZ 3.49Å |
| 164 | K | 95.6 | Very high | 92.7 | Very high | 54 Ų | 54 | 20.8 Ų | 20.8 | 24% | 0.235 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 122 | -179.7 | -170.3 | 178.8 | -175.2 | -171.7 | 0 | 111.2 | D135 G136 A137 I214 H351 L352 P353 | D135-K164 PolarHBondContact O-N 3.27Å; G136-K164 CarbonylContact C-O 3.39Å; G136-K164 WeakPolarHBondContact CA-O 3.22Å; A137-K164 PolarHBondContact N-O 2.83Å; K164-I214 HydrophobicContact CG-CG2 4.2Å; K164-H351 WeakPolarHBondContact CE-O 3.45Å; K164-H351 PolarHBondContact NZ-O 2.54Å; K164-L352 WeakPolarHBondContact O-CD2 3.11Å; K164-P353 HydrophobicContact CB-CG 4.23Å |
| 165 | P | 97 | Very high | 92.8 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 3% | 0.026 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 151.3 | 178.8 | 33.9 | -33.3 | 0 | 0 | 0 | 112.8 | A137 V139 L155 I163 I201 | A137-P165 CarbonylContact O-C 2.97Å; A137-P165 WeakPolarHBondContact O-CA 3.43Å; V139-P165 HydrophobicContact CG2-CB 3.8Å; L155-P165 HydrophobicContact CD1-CB 3.91Å; L155-P165 HydrophobicContact CD1-CG 4.21Å; I163-P165 WeakPolarHBondContact O-CD 3.31Å; P165-I201 HydrophobicContact CG-CD1 3.93Å; P165-I201 HydrophobicContact CG-CG1 4.46Å |
| 166 | V | 97.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.006 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 148.4 | 156.5 | -69.9 | 0 | 0 | 0 | 0 | 108.1 | A137 L138 V139 M347 H351 L352 | A137-V166 WeakPolarHBondContact O-CG2 3.4Å; A137-V166 PolarHBondContact O-N 2.9Å; L138-V166 HydrophobicContact CB-CG2 4.43Å; L138-V166 HydrophobicContact CD1-CG2 3.75Å; V139-V166 PolarHBondContact N-O 3.09Å; V166-M347 HydrophobicContact CB-CE 4.18Å; V166-M347 HydrophobicContact CG2-CE 3.92Å; V166-H351 HydrophobicContact CG1-CB 3.62Å; V166-L352 HydrophobicContact CB-CD2 4.41Å; V166-L352 HydrophobicContact CG1-CD2 3.71Å; V166-L352 HydrophobicContact CG1-CG 4.36Å; V166-L352 HydrophobicContact CG2-CD2 3.98Å; V166-L352 HydrophobicContact CG2-CG 4.35Å |
| 167 | L | 98.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 138 | -172.9 | 178.3 | 65 | 0 | 0 | 0 | 111.1 | V139 V141 M169 I193 V194 T197 V216 S222 V223 G224 | V139-L167 HydrophobicContact CB-CD1 4.24Å; V139-L167 HydrophobicContact CG1-CD1 4.18Å; V141-L167 HydrophobicContact CB-CD1 4.11Å; V141-L167 HydrophobicContact CG2-CD1 3.54Å; L167-M169 HydrophobicContact CD2-CE 3.9Å; L167-I193 HydrophobicContact CD2-CG2 4.35Å; L167-V194 HydrophobicContact CD2-CG2 4.33Å; L167-T197 HydrophobicContact CD2-CG2 4.43Å; L167-V216 HydrophobicContact CB-CB 4.24Å; L167-V216 HydrophobicContact CB-CG1 4.17Å; L167-V216 HydrophobicContact CB-CG2 4.09Å; L167-V216 HydrophobicContact CD2-CG2 4.05Å; L167-S222 PolarHBondContact N-O 3.34Å; L167-S222 VanDerWaalsContact N-O 3.13Å; L167-V223 HydrophobicContact CB-CG1 4.24Å; L167-V223 HydrophobicContact CB-CG2 4.17Å; L167-V223 HydrophobicContact CD2-CG1 4.06Å; L167-V223 HydrophobicContact CD2-CG2 4.39Å; L167-V223 HydrophobicContact CG-CG1 4.16Å; L167-V223 CarbonylContact O-C 3.33Å; L167-V223 VanDerWaalsContact O-CA 3.28Å; L167-V223 WeakPolarHBondContact O-CA 3.48Å; L167-G224 PolarHBondContact O-N 3.25Å |
| 168 | F | 97.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 117.5 | 171.4 | -171.6 | -88.1 | 0 | 0 | 0 | 110.8 | L35 L138 V139 V140 V141 N170 G224 A233 M344 | L35-F168 HydrophobicContact CD1-CD1 3.98Å; L35-F168 HydrophobicContact CD1-CE1 3.42Å; L35-F168 VanDerWaalsContact CD1-CE1 3.42Å; L35-F168 HydrophobicContact CD1-CE2 4.49Å; L35-F168 HydrophobicContact CD1-CZ 3.71Å; L35-F168 HydrophobicContact CD2-CB 4.41Å; L35-F168 HydrophobicContact CD2-CD1 3.51Å; L35-F168 HydrophobicContact CD2-CE1 3.89Å; L35-F168 HydrophobicContact CD2-CG 3.93Å; L35-F168 HydrophobicContact CG-CD1 4.41Å; L35-F168 HydrophobicContact CG-CE1 4.31Å; L138-F168 HydrophobicContact CD1-CB 3.86Å; L138-F168 HydrophobicContact CG-CB 4.49Å; V139-F168 PolarHBondContact O-N 3.3Å; V140-F168 WeakPolarHBondContact CA-O 3.35Å; V140-F168 HydrophobicContact CG1-CD1 4.45Å; V141-F168 PolarHBondContact N-O 3.19Å; F168-N170 HydrophobicContact CD1-CB 3.96Å; F168-N170 HydrophobicContact CE1-CB 3.89Å; F168-N170 PolarHBondContact O-N 3Å; F168-G224 CarbonylContact C-O 3.57Å; F168-G224 WeakPolarHBondContact CA-O 3.25Å; F168-A233 HydrophobicContact CE2-CB 3.57Å; F168-A233 HydrophobicContact CZ-CB 3.67Å; F168-M344 HydrophobicContact CD2-CG 3.98Å; F168-M344 HydrophobicContact CD2-SD 4.24Å; F168-M344 HydrophobicContact CE2-CG 3.73Å; F168-M344 HydrophobicContact CE2-SD 3.98Å; F168-M344 HydrophobicContact CZ-SD 4.3Å |
| 169 | M | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 105.3 | 174.5 | -61.7 | -168.5 | -163.6 | 0 | 0 | 110.2 | V141 C143 L167 F190 I193 V194 V223 G224 F225 G226 | V141-M169 CarbonylContact O-C 3.58Å; V141-M169 VanDerWaalsContact O-CA 3.32Å; V141-M169 WeakPolarHBondContact O-CA 3.32Å; C143-M169 HydrophobicContact CB-CB 4.35Å; L167-M169 HydrophobicContact CD2-CE 3.9Å; M169-F190 HydrophobicContact CE-CB 4.25Å; M169-F190 WeakPolarHBondContact CE-O 3.49Å; M169-F190 HydrophobicContact SD-CB 3.91Å; M169-F190 HydrophobicContact SD-CD1 3.49Å; M169-F190 WeakPolarHBondContact SD-CD1 3.36Å; M169-F190 HydrophobicContact SD-CE1 4.24Å; M169-F190 HydrophobicContact SD-CG 3.87Å; M169-I193 HydrophobicContact CE-CB 3.79Å; M169-I193 HydrophobicContact CE-CG2 3.7Å; M169-I193 HydrophobicContact CG-CG2 4.38Å; M169-I193 HydrophobicContact SD-CB 4.24Å; M169-I193 HydrophobicContact SD-CD1 4.18Å; M169-I193 HydrophobicContact SD-CG2 4.19Å; M169-V194 HydrophobicContact CE-CG2 3.48Å; M169-V194 VanDerWaalsContact CE-CG2 3.48Å; M169-V223 HydrophobicContact CE-CG1 4.06Å; M169-G224 PolarHBondContact N-O 2.88Å; M169-F225 HydrophobicContact CB-CD1 4.03Å; M169-F225 HydrophobicContact CE-CE1 3.87Å; M169-F225 HydrophobicContact CG-CD1 4.2Å; M169-F225 HydrophobicContact CG-CE1 4.32Å; M169-F225 HydrophobicContact SD-CD1 3.77Å; M169-F225 HydrophobicContact SD-CE1 3.54Å; M169-F225 VanDerWaalsContact SD-CE1 3.54Å; M169-G226 PolarHBondContact O-N 2.91Å |
| 170 | N | 95.7 | Very high | 92.7 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 171.1 | -177.1 | -161.7 | 18.8 | 0 | 0 | 0 | 112.1 | H30 G31 V140 V141 C143 F168 M172 G226 G228 | H30-N170 PolarHBondContact O-ND2 3.03Å; G31-N170 WeakPolarHBondContact CA-ND2 3.33Å; G31-N170 PolarHBondContact O-ND2 3.21Å; V140-N170 HydrophobicContact CG1-CB 3.79Å; V141-N170 PolarHBondContact O-N 3.14Å; C143-N170 PolarHBondContact N-O 3.27Å; C143-N170 PolarHBondContact SG-O 3.25Å; F168-N170 HydrophobicContact CD1-CB 3.96Å; F168-N170 HydrophobicContact CE1-CB 3.89Å; F168-N170 PolarHBondContact O-N 3Å; N170-M172 VanDerWaalsContact C-N 3.26Å; N170-M172 PolarHBondContact O-N 3.29Å; N170-G226 CarbonylContact C-O 3.59Å; N170-G226 WeakPolarHBondContact CA-O 3.33Å; N170-G228 PolarHBondContact OD1-N 3.25Å |
| 171 | K | 93.7 | Very high | 92.8 | Very high | 41 Ų | 41 | 31.5 Ų | 31.5 | 18% | 0.178 | 15% | 0.145 | C | C | . | . | trans | 59.8 | 29.2 | 178.7 | -49.5 | -161.4 | -156.5 | 154.9 | 0 | 115.2 | D29 D142 D173 R174 G226 | D29-K171 WeakPolarHBondContact O-CE 3.21Å; D29-K171 PolarHBondContact O-NZ 2.93Å; D142-K171 VanDerWaalsContact OD2-CD 3.26Å; D142-K171 WeakPolarHBondContact OD2-CD 3.3Å; D142-K171 VanDerWaalsContact OD2-CE 3.3Å; D142-K171 WeakPolarHBondContact OD2-CE 3.35Å; D142-K171 IonicContact OD2-NZ 3.63Å; D142-K171 PolarHBondContact OD2-NZ 2.83Å; K171-D173 VanDerWaalsContact CA-OD1 3.3Å; K171-D173 WeakPolarHBondContact CA-OD1 3.37Å; K171-D173 PolarHBondContact O-N 2.97Å; K171-R174 HydrophobicContact CB-CG 4.26Å; K171-R174 WeakPolarHBondContact O-CB 3.4Å; K171-R174 PolarHBondContact O-N 3.28Å; K171-G226 PolarHBondContact N-O 2.87Å | ||
| 172 | M | 94.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.4 | -22.7 | 174.1 | -169 | 175.1 | 172.4 | 0 | 0 | 112.7 | C143 N170 R174 A175 L176 L186 F190 F225 G226 W232 F234 L288 I291 | C143-M172 VanDerWaalsContact SG-CA 3.57Å; N170-M172 VanDerWaalsContact C-N 3.26Å; N170-M172 PolarHBondContact O-N 3.29Å; M172-R174 VanDerWaalsContact C-N 3.31Å; M172-R174 PolarHBondContact O-N 3.17Å; M172-A175 PolarHBondContact O-N 3.24Å; M172-L176 HydrophobicContact CE-CD1 4.35Å; M172-L176 HydrophobicContact CG-CD1 4.16Å; M172-L176 HydrophobicContact CG-CG 4.45Å; M172-L176 VanDerWaalsContact O-CG 3.26Å; M172-L176 WeakPolarHBondContact O-CG 3.44Å; M172-L176 PolarHBondContact O-N 2.68Å; M172-L176 VanDerWaalsContact O-N 3.16Å; M172-L186 HydrophobicContact CE-CD2 3.91Å; M172-F190 HydrophobicContact CE-CE2 4.19Å; M172-F190 HydrophobicContact CE-CZ 3.98Å; M172-F190 HydrophobicContact CG-CZ 4.18Å; M172-F190 HydrophobicContact SD-CZ 3.95Å; M172-F225 HydrophobicContact SD-CB 4.34Å; M172-G226 VanDerWaalsContact CB-O 3.24Å; M172-G226 WeakPolarHBondContact CB-O 3.36Å; M172-G226 PolarHBondContact N-O 3.08Å; M172-W232 HydrophobicContact CB-CH2 4.15Å; M172-W232 HydrophobicContact CB-CZ2 4.28Å; M172-W232 HydrophobicContact CE-CH2 4.11Å; M172-W232 HydrophobicContact CG-CH2 3.92Å; M172-W232 HydrophobicContact CG-CZ2 4.38Å; M172-W232 HydrophobicContact SD-CH2 3.45Å; M172-W232 WeakPolarHBondContact SD-CH2 3.46Å; M172-W232 HydrophobicContact SD-CZ2 4.43Å; M172-W232 HydrophobicContact SD-CZ3 3.97Å; M172-F234 HydrophobicContact CE-CE1 4.22Å; M172-F234 HydrophobicContact CE-CZ 4.42Å; M172-F234 HydrophobicContact SD-CE1 3.94Å; M172-F234 HydrophobicContact SD-CZ 4.41Å; M172-L288 HydrophobicContact CE-CD2 3.47Å; M172-L288 VanDerWaalsContact CE-CD2 3.47Å; M172-I291 HydrophobicContact CE-CD1 4.32Å |
| 173 | D | 91.8 | Very high | 92.9 | Very high | 11 Ų | 11 | 32.7 Ų | 32.7 | 6% | 0.059 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.5 | -35.4 | 171.8 | 57.6 | -69.3 | 0 | 0 | 0 | 113.5 | K171 L176 L177 S227 H230 | K171-D173 VanDerWaalsContact CA-OD1 3.3Å; K171-D173 WeakPolarHBondContact CA-OD1 3.37Å; K171-D173 PolarHBondContact O-N 2.97Å; D173-L176 PolarHBondContact O-N 2.82Å; D173-L177 VanDerWaalsContact O-CB 3.24Å; D173-L177 WeakPolarHBondContact O-CB 3.48Å; D173-L177 WeakPolarHBondContact O-CG 3.42Å; D173-L177 PolarHBondContact O-N 3.42Å; D173-S227 VanDerWaalsContact CG-OG 3.25Å; D173-S227 WeakPolarHBondContact OD1-CB 3.48Å; D173-S227 PolarHBondContact OD1-OG 3.5Å; D173-H230 IonicContact OD2-NE2 3.32Å |
| 174 | R | 90.4 | Very high | 92.8 | Very high | 80 Ų | 80 | 35.9 Ų | 35.9 | 30% | 0.302 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -69.4 | -44.3 | 177.4 | -63.1 | -174.9 | 65.5 | -156.2 | 1.5 | 111.5 | D142 V144 K171 M172 L176 L177 E178 L179 | D142-R174 IonicContact OD2-NH1 3.42Å; V144-R174 HydrophobicContact CG2-CB 4.07Å; K171-R174 HydrophobicContact CB-CG 4.26Å; K171-R174 WeakPolarHBondContact O-CB 3.4Å; K171-R174 PolarHBondContact O-N 3.28Å; M172-R174 VanDerWaalsContact C-N 3.31Å; M172-R174 PolarHBondContact O-N 3.17Å; R174-L176 PolarHBondContact O-N 2.88Å; R174-L177 PolarHBondContact O-N 3.21Å; R174-E178 HydrophobicContact CB-CG 4.49Å; R174-E178 IonicContact CZ-OE2 2.68Å; R174-E178 IonicContact NE-OE1 2.72Å; R174-E178 IonicContact NE-OE2 3.48Å; R174-E178 PolarHBondContact NE-OE2 3.22Å; R174-E178 IonicContact NH2-OE2 2.82Å; R174-E178 PolarHBondContact NH2-OE2 3.12Å; R174-E178 WeakPolarHBondContact O-CA 3.42Å; R174-E178 VanDerWaalsContact O-CB 3.31Å; R174-E178 WeakPolarHBondContact O-CB 3.15Å; R174-E178 PolarHBondContact O-N 3.43Å; R174-L179 PolarHBondContact O-N 3.43Å |
| 175 | A | 90.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58 | -37 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | V144 M172 Q180 L181 L186 | V144-A175 HydrophobicContact CG2-CB 4.34Å; M172-A175 PolarHBondContact O-N 3.24Å; A175-Q180 PolarHBondContact O-N 2.64Å; A175-Q180 VanDerWaalsContact O-N 3.11Å; A175-L181 HydrophobicContact CB-CD1 4.32Å; A175-L181 PolarHBondContact O-N 3.27Å; A175-L186 HydrophobicContact CB-CD1 3.79Å |
| 176 | L | 91.7 | Very high | 92.5 | Very high | 15 Ų | 15 | 37.8 Ų | 37.8 | 8% | 0.079 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -83.2 | -40.6 | -178.9 | -65.2 | 171.5 | 0 | 0 | 0 | 114.1 | M172 D173 R174 L186 W232 I291 F292 F295 | M172-L176 HydrophobicContact CE-CD1 4.35Å; M172-L176 HydrophobicContact CG-CD1 4.16Å; M172-L176 HydrophobicContact CG-CG 4.45Å; M172-L176 VanDerWaalsContact O-CG 3.26Å; M172-L176 WeakPolarHBondContact O-CG 3.44Å; M172-L176 PolarHBondContact O-N 2.68Å; M172-L176 VanDerWaalsContact O-N 3.16Å; D173-L176 PolarHBondContact O-N 2.82Å; R174-L176 PolarHBondContact O-N 2.88Å; L176-L186 HydrophobicContact CD2-CD2 4.03Å; L176-W232 HydrophobicContact CD1-CH2 4.22Å; L176-W232 HydrophobicContact CD1-CZ2 4.17Å; L176-I291 HydrophobicContact CD1-CG2 3.94Å; L176-F292 HydrophobicContact CD2-CD1 4.34Å; L176-F292 HydrophobicContact CD2-CD2 3.73Å; L176-F292 HydrophobicContact CD2-CE1 3.89Å; L176-F292 HydrophobicContact CD2-CE2 3.23Å; L176-F292 HydrophobicContact CD2-CG 4.29Å; L176-F292 HydrophobicContact CD2-CZ 3.32Å; L176-F295 HydrophobicContact CB-CD1 3.81Å; L176-F295 HydrophobicContact CB-CE1 3.76Å; L176-F295 HydrophobicContact CD1-CD1 4Å; L176-F295 HydrophobicContact CD1-CD2 4.2Å; L176-F295 HydrophobicContact CD1-CE1 3.59Å; L176-F295 HydrophobicContact CD1-CE2 3.81Å; L176-F295 HydrophobicContact CD1-CG 4.3Å; L176-F295 HydrophobicContact CD1-CZ 3.49Å; L176-F295 VanDerWaalsContact CD1-CZ 3.49Å; L176-F295 HydrophobicContact CG-CE1 4.34Å |
| 177 | L | 88.9 | Confident | 92.4 | Very high | 37 Ų | 37 | 37.8 Ų | 37.8 | 19% | 0.194 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -98.2 | -38.8 | -171.5 | -64.8 | 174 | 0 | 0 | 0 | 113.5 | D173 R174 F295 M299 | D173-L177 VanDerWaalsContact O-CB 3.24Å; D173-L177 WeakPolarHBondContact O-CB 3.48Å; D173-L177 WeakPolarHBondContact O-CG 3.42Å; D173-L177 PolarHBondContact O-N 3.42Å; R174-L177 PolarHBondContact O-N 3.21Å; L177-F295 HydrophobicContact CD1-CE1 4.2Å; L177-F295 HydrophobicContact CD2-CD1 3.66Å; L177-F295 HydrophobicContact CD2-CE1 4.05Å; L177-F295 HydrophobicContact CG-CD1 3.98Å; L177-F295 HydrophobicContact CG-CE1 3.88Å; L177-M299 HydrophobicContact CD2-CE 4.28Å; L177-M299 HydrophobicContact CD2-CG 3.87Å; L177-M299 HydrophobicContact CD2-SD 4.27Å |
| 178 | E | 87.7 | Confident | 92.2 | Very high | 113 Ų | 113 | 41.4 Ų | 41.4 | 53% | 0.528 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -53.4 | -175.6 | -59.7 | 174.7 | -172.9 | 0 | 0 | 110.6 | R174 | R174-E178 HydrophobicContact CB-CG 4.49Å; R174-E178 IonicContact CZ-OE2 2.68Å; R174-E178 IonicContact NE-OE1 2.72Å; R174-E178 IonicContact NE-OE2 3.48Å; R174-E178 PolarHBondContact NE-OE2 3.22Å; R174-E178 IonicContact NH2-OE2 2.82Å; R174-E178 PolarHBondContact NH2-OE2 3.12Å; R174-E178 WeakPolarHBondContact O-CA 3.42Å; R174-E178 VanDerWaalsContact O-CB 3.31Å; R174-E178 WeakPolarHBondContact O-CB 3.15Å; R174-E178 PolarHBondContact O-N 3.43Å |
| 179 | L | 85.5 | Confident | 91.9 | Very high | 63 Ų | 63 | 41.8 Ų | 41.8 | 33% | 0.33 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -83.6 | -23.7 | -178.5 | -61.9 | -179.6 | 0 | 0 | 0 | 113.3 | V144 R174 L181 | V144-L179 HydrophobicContact CB-CD1 4.41Å; V144-L179 HydrophobicContact CG1-CD1 3.74Å; V144-L179 HydrophobicContact CG2-CD1 3.88Å; R174-L179 PolarHBondContact O-N 3.43Å; L179-L181 HydrophobicContact CB-CD2 4.11Å; L179-L181 HydrophobicContact CB-CG 3.88Å; L179-L181 HydrophobicContact CD1-CD1 4.36Å; L179-L181 HydrophobicContact CD1-CG 4.48Å; L179-L181 PolarHBondContact O-N 3.31Å |
| 180 | Q | 86.7 | Confident | 91.8 | Very high | 153 Ų | 153 | 41.8 Ų | 41.8 | 72% | 0.715 | 20% | 0.2 | S | C | * | . | trans | 52.1 | 36.3 | -179 | -57 | -173.9 | -12.3 | 0 | 0 | 113.6 | A175 | A175-Q180 PolarHBondContact O-N 2.64Å; A175-Q180 VanDerWaalsContact O-N 3.11Å | ||
| 181 | L | 89.3 | Confident | 91.8 | Very high | 21 Ų | 21 | 43.3 Ų | 43.3 | 11% | 0.11 | 21% | 0.208 | C | C | . | . | trans | -56.7 | 144.9 | 179.9 | -62.1 | -178.6 | 0 | 0 | 0 | 110.7 | A175 L179 E185 L186 F292 | A175-L181 HydrophobicContact CB-CD1 4.32Å; A175-L181 PolarHBondContact O-N 3.27Å; L179-L181 HydrophobicContact CB-CD2 4.11Å; L179-L181 HydrophobicContact CB-CG 3.88Å; L179-L181 HydrophobicContact CD1-CD1 4.36Å; L179-L181 HydrophobicContact CD1-CG 4.48Å; L179-L181 PolarHBondContact O-N 3.31Å; L181-E185 HydrophobicContact CB-CB 4.46Å; L181-L186 HydrophobicContact CB-CB 4.35Å; L181-L186 HydrophobicContact CD1-CD1 4.23Å; L181-F292 WeakPolarHBondContact O-CE1 3.34Å; L181-F292 WeakPolarHBondContact O-CZ 3.39Å | ||
| 182 | D | 92.6 | Very high | 91.7 | Very high | 69 Ų | 69 | 44.5 Ų | 44.5 | 37% | 0.369 | 21% | 0.212 | S | C | . | . | trans | -75 | 163.3 | 172.2 | 80.2 | 58.3 | 0 | 0 | 0 | 111.8 | E184 E185 L186 | D182-E184 VanDerWaalsContact C-N 3.27Å; D182-E184 PolarHBondContact O-N 2.8Å; D182-E184 WeakPolarHBondContact OD1-CA 3.25Å; D182-E184 WeakPolarHBondContact OD1-CB 3.44Å; D182-E184 PolarHBondContact OD1-N 2.91Å; D182-E185 PolarHBondContact N-OE2 2.88Å; D182-E185 PolarHBondContact O-N 3.41Å; D182-E185 PolarHBondContact OD1-N 2.83Å; D182-E185 VanDerWaalsContact OD2-CD 3.26Å; D182-E185 WeakPolarHBondContact OD2-CG 3.45Å; D182-L186 WeakPolarHBondContact O-CB 3.49Å; D182-L186 PolarHBondContact O-N 3.13Å | ||
| 183 | P | 93.6 | Very high | 91.6 | Very high | 21 Ų | 21 | 44.6 Ų | 44.6 | 14% | 0.136 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.8 | -30.5 | -177.5 | -27.9 | 36.7 | 0 | 0 | 0 | 115.4 | F187 C284 L288 F292 | P183-F187 WeakPolarHBondContact O-CB 3.27Å; P183-F187 PolarHBondContact O-N 3.44Å; P183-F187 VanDerWaalsContact O-N 3.16Å; P183-C284 HydrophobicContact CB-CB 3.99Å; P183-C284 PolarHBondContact O-SG 3.16Å; P183-L288 HydrophobicContact CB-CB 4.05Å; P183-L288 HydrophobicContact CB-CD1 3.91Å; P183-L288 WeakPolarHBondContact O-CD1 3.34Å; P183-F292 HydrophobicContact CG-CD1 4.38Å; P183-F292 HydrophobicContact CG-CD2 4.32Å; P183-F292 HydrophobicContact CG-CE1 4.24Å; P183-F292 HydrophobicContact CG-CE2 4.14Å; P183-F292 HydrophobicContact CG-CG 4.4Å; P183-F292 HydrophobicContact CG-CZ 4.09Å |
| 184 | E | 93.6 | Very high | 91.8 | Very high | 66 Ų | 66 | 44.5 Ų | 44.5 | 31% | 0.308 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -78 | -45.6 | 179.2 | -170.8 | 64.5 | -150.7 | 0 | 0 | 110 | D182 L186 F187 Q188 R281 | D182-E184 VanDerWaalsContact C-N 3.27Å; D182-E184 PolarHBondContact O-N 2.8Å; D182-E184 WeakPolarHBondContact OD1-CA 3.25Å; D182-E184 WeakPolarHBondContact OD1-CB 3.44Å; D182-E184 PolarHBondContact OD1-N 2.91Å; E184-L186 VanDerWaalsContact C-N 3.31Å; E184-L186 PolarHBondContact O-N 3.49Å; E184-F187 WeakPolarHBondContact O-CB 3.16Å; E184-F187 PolarHBondContact O-N 2.87Å; E184-F187 VanDerWaalsContact O-N 3.14Å; E184-Q188 WeakPolarHBondContact O-CG 3.3Å; E184-Q188 PolarHBondContact O-N 3.4Å; E184-Q188 PolarHBondContact OE1-NE2 2.7Å; E184-Q188 VanDerWaalsContact OE1-NE2 3.12Å; E184-R281 IonicContact OE1-CZ 3.65Å; E184-R281 VanDerWaalsContact OE1-CZ 3.24Å; E184-R281 IonicContact OE1-NE 2.77Å; E184-R281 PolarHBondContact OE1-NE 2.98Å; E184-R281 IonicContact OE1-NH2 3.63Å; E184-R281 PolarHBondContact OE1-NH2 3.26Å; E184-R281 IonicContact OE2-NE 3.57Å; E184-R281 PolarHBondContact OE2-NE 3Å |
| 185 | E | 92 | Very high | 92 | Very high | 99 Ų | 99 | 45.4 Ų | 45.4 | 46% | 0.463 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.4 | -43.2 | 174.4 | -71.3 | 177.8 | 161.9 | 0 | 0 | 112.3 | L181 D182 Q188 T189 | L181-E185 HydrophobicContact CB-CB 4.46Å; D182-E185 PolarHBondContact N-OE2 2.88Å; D182-E185 PolarHBondContact O-N 3.41Å; D182-E185 PolarHBondContact OD1-N 2.83Å; D182-E185 VanDerWaalsContact OD2-CD 3.26Å; D182-E185 WeakPolarHBondContact OD2-CG 3.45Å; E185-Q188 PolarHBondContact O-N 3.25Å; E185-T189 PolarHBondContact O-N 3.33Å; E185-T189 PolarHBondContact O-OG1 3.09Å |
| 186 | L | 93.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.7 | -39.7 | 177.1 | -175 | 56.5 | 0 | 0 | 0 | 111.7 | M172 A175 L176 L181 D182 E184 T189 F190 L288 F292 | M172-L186 HydrophobicContact CE-CD2 3.91Å; A175-L186 HydrophobicContact CB-CD1 3.79Å; L176-L186 HydrophobicContact CD2-CD2 4.03Å; L181-L186 HydrophobicContact CB-CB 4.35Å; L181-L186 HydrophobicContact CD1-CD1 4.23Å; D182-L186 WeakPolarHBondContact O-CB 3.49Å; D182-L186 PolarHBondContact O-N 3.13Å; E184-L186 VanDerWaalsContact C-N 3.31Å; E184-L186 PolarHBondContact O-N 3.49Å; L186-T189 WeakPolarHBondContact O-CB 3.38Å; L186-T189 PolarHBondContact O-N 2.76Å; L186-F190 HydrophobicContact CD1-CD1 4.22Å; L186-F190 HydrophobicContact CD1-CE1 3.49Å; L186-F190 VanDerWaalsContact CD1-CE1 3.49Å; L186-F190 HydrophobicContact CD1-CE2 4.21Å; L186-F190 HydrophobicContact CD1-CZ 3.5Å; L186-F190 VanDerWaalsContact CD1-CZ 3.5Å; L186-F190 HydrophobicContact CD2-CE2 4.27Å; L186-F190 HydrophobicContact CD2-CZ 3.96Å; L186-F190 HydrophobicContact CG-CD2 4.46Å; L186-F190 HydrophobicContact CG-CE1 4.02Å; L186-F190 HydrophobicContact CG-CE2 3.8Å; L186-F190 HydrophobicContact CG-CZ 3.55Å; L186-F190 VanDerWaalsContact O-CG 3.3Å; L186-F190 WeakPolarHBondContact O-CG 3.46Å; L186-F190 PolarHBondContact O-N 3.39Å; L186-L288 HydrophobicContact CB-CD1 4.33Å; L186-L288 HydrophobicContact CD2-CD1 4.36Å; L186-L288 HydrophobicContact CD2-CD2 4.08Å; L186-L288 HydrophobicContact CG-CD1 4.47Å; L186-F292 HydrophobicContact CD2-CE2 3.99Å; L186-F292 HydrophobicContact CD2-CZ 4.19Å |
| 187 | F | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.2 | -45.5 | 173.7 | 171.7 | -95.6 | 0 | 0 | 0 | 111.9 | P183 E184 T189 F190 L191 W259 R281 F283 | P183-F187 WeakPolarHBondContact O-CB 3.27Å; P183-F187 PolarHBondContact O-N 3.44Å; P183-F187 VanDerWaalsContact O-N 3.16Å; E184-F187 WeakPolarHBondContact O-CB 3.16Å; E184-F187 PolarHBondContact O-N 2.87Å; E184-F187 VanDerWaalsContact O-N 3.14Å; F187-T189 VanDerWaalsContact C-N 3.25Å; F187-T189 PolarHBondContact O-N 3.44Å; F187-F190 PolarHBondContact O-N 2.99Å; F187-F190 VanDerWaalsContact O-N 3.15Å; F187-L191 HydrophobicContact CE1-CB 4.47Å; F187-L191 HydrophobicContact CE1-CD2 4.21Å; F187-L191 WeakPolarHBondContact O-CB 3.16Å; F187-L191 PolarHBondContact O-N 3.47Å; F187-W259 HydrophobicContact CD2-CE3 4.44Å; F187-W259 HydrophobicContact CD2-CH2 4.32Å; F187-W259 AromaticContact CD2-CZ3 3.98Å; F187-W259 HydrophobicContact CD2-CZ3 3.98Å; F187-W259 HydrophobicContact CE2-CD2 4.2Å; F187-W259 AromaticContact CE2-CE3 3.8Å; F187-W259 HydrophobicContact CE2-CE3 3.8Å; F187-W259 AromaticContact CE2-CH2 3.95Å; F187-W259 HydrophobicContact CE2-CH2 3.95Å; F187-W259 HydrophobicContact CE2-CZ2 4.33Å; F187-W259 AromaticContact CE2-CZ3 3.68Å; F187-W259 HydrophobicContact CE2-CZ3 3.68Å; F187-R281 VanDerWaalsContact CE1-CZ 3.46Å; F187-F283 HydrophobicContact CB-CD1 4.13Å; F187-F283 HydrophobicContact CD2-CB 3.78Å; F187-F283 AromaticContact CD2-CD1 3.48Å; F187-F283 HydrophobicContact CD2-CD1 3.48Å; F187-F283 VanDerWaalsContact CD2-CD1 3.48Å; F187-F283 HydrophobicContact CD2-CE1 4.18Å; F187-F283 AromaticContact CD2-CG 3.74Å; F187-F283 HydrophobicContact CD2-CG 3.74Å; F187-F283 HydrophobicContact CE2-CB 4.02Å; F187-F283 HydrophobicContact CE2-CD1 4.39Å; F187-F283 HydrophobicContact CE2-CG 4.23Å; F187-F283 HydrophobicContact CG-CD1 4.24Å |
| 188 | Q | 93.7 | Very high | 92.2 | Very high | 77 Ų | 77 | 47.8 Ų | 47.8 | 36% | 0.36 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.3 | -37.4 | 177.7 | -65.9 | -58 | -30 | 0 | 0 | 111.6 | E184 E185 L191 R192 | E184-Q188 WeakPolarHBondContact O-CG 3.3Å; E184-Q188 PolarHBondContact O-N 3.4Å; E184-Q188 PolarHBondContact OE1-NE2 2.7Å; E184-Q188 VanDerWaalsContact OE1-NE2 3.12Å; E185-Q188 PolarHBondContact O-N 3.25Å; Q188-L191 PolarHBondContact O-N 2.71Å; Q188-R192 WeakPolarHBondContact O-CB 3.49Å; Q188-R192 PolarHBondContact O-N 2.79Å; Q188-R192 VanDerWaalsContact O-N 3.07Å |
| 189 | T | 91.6 | Very high | 92.2 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 5% | 0.049 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.6 | -47.4 | 174 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | C143 E185 L186 F187 R192 I193 | C143-T189 WeakPolarHBondContact O-CG2 3.28Å; E185-T189 PolarHBondContact O-N 3.33Å; E185-T189 PolarHBondContact O-OG1 3.09Å; L186-T189 WeakPolarHBondContact O-CB 3.38Å; L186-T189 PolarHBondContact O-N 2.76Å; F187-T189 VanDerWaalsContact C-N 3.25Å; F187-T189 PolarHBondContact O-N 3.44Å; T189-R192 PolarHBondContact O-N 3.41Å; T189-I193 HydrophobicContact CG2-CD1 4.2Å; T189-I193 WeakPolarHBondContact O-CG1 3.44Å; T189-I193 PolarHBondContact O-N 2.76Å; T189-I193 VanDerWaalsContact O-N 3.14Å |
| 190 | F | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.3 | -44.5 | 176.8 | -63.7 | -19.5 | 0 | 0 | 0 | 112.4 | C143 M169 M172 L186 F187 R192 I193 V194 F225 W259 F283 L288 | C143-F190 HydrophobicContact CB-CD1 4.29Å; C143-F190 HydrophobicContact CB-CE1 3.73Å; M169-F190 HydrophobicContact CE-CB 4.25Å; M169-F190 WeakPolarHBondContact CE-O 3.49Å; M169-F190 HydrophobicContact SD-CB 3.91Å; M169-F190 HydrophobicContact SD-CD1 3.49Å; M169-F190 WeakPolarHBondContact SD-CD1 3.36Å; M169-F190 HydrophobicContact SD-CE1 4.24Å; M169-F190 HydrophobicContact SD-CG 3.87Å; M172-F190 HydrophobicContact CE-CE2 4.19Å; M172-F190 HydrophobicContact CE-CZ 3.98Å; M172-F190 HydrophobicContact CG-CZ 4.18Å; M172-F190 HydrophobicContact SD-CZ 3.95Å; L186-F190 HydrophobicContact CD1-CD1 4.22Å; L186-F190 HydrophobicContact CD1-CE1 3.49Å; L186-F190 VanDerWaalsContact CD1-CE1 3.49Å; L186-F190 HydrophobicContact CD1-CE2 4.21Å; L186-F190 HydrophobicContact CD1-CZ 3.5Å; L186-F190 VanDerWaalsContact CD1-CZ 3.5Å; L186-F190 HydrophobicContact CD2-CE2 4.27Å; L186-F190 HydrophobicContact CD2-CZ 3.96Å; L186-F190 HydrophobicContact CG-CD2 4.46Å; L186-F190 HydrophobicContact CG-CE1 4.02Å; L186-F190 HydrophobicContact CG-CE2 3.8Å; L186-F190 HydrophobicContact CG-CZ 3.55Å; L186-F190 VanDerWaalsContact O-CG 3.3Å; L186-F190 WeakPolarHBondContact O-CG 3.46Å; L186-F190 PolarHBondContact O-N 3.39Å; F187-F190 PolarHBondContact O-N 2.99Å; F187-F190 VanDerWaalsContact O-N 3.15Å; F190-R192 VanDerWaalsContact C-N 3.32Å; F190-R192 PolarHBondContact O-N 3.18Å; F190-I193 PolarHBondContact O-N 3.23Å; F190-I193 VanDerWaalsContact O-N 3.16Å; F190-V194 WeakPolarHBondContact O-CG2 3.45Å; F190-V194 PolarHBondContact O-N 2.89Å; F190-F225 HydrophobicContact CB-CE1 3.98Å; F190-F225 HydrophobicContact CD1-CD1 4.33Å; F190-F225 HydrophobicContact CD1-CE1 4.39Å; F190-F225 AromaticContact CD2-CD1 3.82Å; F190-F225 HydrophobicContact CD2-CD1 3.82Å; F190-F225 AromaticContact CD2-CE1 3.72Å; F190-F225 HydrophobicContact CD2-CE1 3.72Å; F190-F225 HydrophobicContact CE1-CD1 4.38Å; F190-F225 AromaticContact CE2-CD1 3.87Å; F190-F225 HydrophobicContact CE2-CD1 3.87Å; F190-F225 HydrophobicContact CE2-CE1 4.25Å; F190-F225 HydrophobicContact CG-CD1 4.06Å; F190-F225 AromaticContact CG-CE1 3.8Å; F190-F225 HydrophobicContact CG-CE1 3.8Å; F190-F225 HydrophobicContact CZ-CD1 4.15Å; F190-W259 HydrophobicContact CB-CH2 3.91Å; F190-F283 AromaticContact CD2-CE1 3.67Å; F190-F283 HydrophobicContact CD2-CE1 3.67Å; F190-F283 AromaticContact CD2-CZ 3.78Å; F190-F283 HydrophobicContact CD2-CZ 3.78Å; F190-F283 AromaticContact CE2-CE1 3.84Å; F190-F283 HydrophobicContact CE2-CE1 3.84Å; F190-F283 AromaticContact CE2-CZ 3.9Å; F190-F283 HydrophobicContact CE2-CZ 3.9Å; F190-L288 HydrophobicContact CE2-CD2 4.31Å |
| 191 | L | 95 | Very high | 92.3 | Very high | 35 Ų | 35 | 37.2 Ų | 37.2 | 18% | 0.183 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.2 | -49.6 | 178.6 | -179.4 | 62.2 | 0 | 0 | 0 | 110.9 | F187 Q188 I193 V194 E195 W259 | F187-L191 HydrophobicContact CE1-CB 4.47Å; F187-L191 HydrophobicContact CE1-CD2 4.21Å; F187-L191 WeakPolarHBondContact O-CB 3.16Å; F187-L191 PolarHBondContact O-N 3.47Å; Q188-L191 PolarHBondContact O-N 2.71Å; L191-I193 VanDerWaalsContact C-N 3.33Å; L191-I193 PolarHBondContact O-N 2.72Å; L191-V194 PolarHBondContact O-N 3.29Å; L191-E195 WeakPolarHBondContact O-CG 3.43Å; L191-E195 PolarHBondContact O-N 3.21Å; L191-W259 HydrophobicContact CB-CZ2 4.5Å; L191-W259 HydrophobicContact CD1-CZ2 4.1Å |
| 192 | R | 91.6 | Very high | 92.2 | Very high | 66 Ų | 66 | 39 Ų | 39 | 25% | 0.249 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.7 | -39 | 177.8 | -175 | 178.3 | 63.5 | -132.9 | 3.5 | 113.1 | Q188 T189 F190 E195 N196 A771 | Q188-R192 WeakPolarHBondContact O-CB 3.49Å; Q188-R192 PolarHBondContact O-N 2.79Å; Q188-R192 VanDerWaalsContact O-N 3.07Å; T189-R192 PolarHBondContact O-N 3.41Å; F190-R192 VanDerWaalsContact C-N 3.32Å; F190-R192 PolarHBondContact O-N 3.18Å; R192-E195 PolarHBondContact O-N 2.9Å; R192-N196 WeakPolarHBondContact O-CB 3.31Å; R192-N196 VanDerWaalsContact O-CG 3.24Å; R192-N196 PolarHBondContact O-N 3.24Å; R192-N196 PolarHBondContact O-OD1 3.05Å; R192-A771 PolarHBondContact NH1-O 3.46Å; R192-A771 PolarHBondContact NH2-O 3.31Å |
| 193 | I | 93.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.8 | -42.2 | 177.7 | -67.5 | 168.9 | 0 | 0 | 0 | 110.8 | V141 C143 V147 L167 M169 T189 F190 L191 T197 | V141-I193 HydrophobicContact CB-CG2 4.33Å; V141-I193 HydrophobicContact CG1-CG2 3.75Å; C143-I193 HydrophobicContact CB-CD1 4.48Å; V147-I193 HydrophobicContact CG2-CG2 4.22Å; L167-I193 HydrophobicContact CD2-CG2 4.35Å; M169-I193 HydrophobicContact CE-CB 3.79Å; M169-I193 HydrophobicContact CE-CG2 3.7Å; M169-I193 HydrophobicContact CG-CG2 4.38Å; M169-I193 HydrophobicContact SD-CB 4.24Å; M169-I193 HydrophobicContact SD-CD1 4.18Å; M169-I193 HydrophobicContact SD-CG2 4.19Å; T189-I193 HydrophobicContact CG2-CD1 4.2Å; T189-I193 WeakPolarHBondContact O-CG1 3.44Å; T189-I193 PolarHBondContact O-N 2.76Å; T189-I193 VanDerWaalsContact O-N 3.14Å; F190-I193 PolarHBondContact O-N 3.23Å; F190-I193 VanDerWaalsContact O-N 3.16Å; L191-I193 VanDerWaalsContact C-N 3.33Å; L191-I193 PolarHBondContact O-N 2.72Å; I193-T197 WeakPolarHBondContact O-CB 3.37Å; I193-T197 PolarHBondContact O-N 2.87Å; I193-T197 PolarHBondContact O-OG1 3.43Å |
| 194 | V | 96 | Very high | 90.9 | Very high | 8 Ų | 8 | 43.1 Ų | 43.1 | 5% | 0.048 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.4 | -47.4 | 174.6 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | L167 M169 F190 L191 T197 N198 P218 V223 W259 | L167-V194 HydrophobicContact CD2-CG2 4.33Å; M169-V194 HydrophobicContact CE-CG2 3.48Å; M169-V194 VanDerWaalsContact CE-CG2 3.48Å; F190-V194 WeakPolarHBondContact O-CG2 3.45Å; F190-V194 PolarHBondContact O-N 2.89Å; L191-V194 PolarHBondContact O-N 3.29Å; V194-T197 PolarHBondContact O-N 3.36Å; V194-N198 WeakPolarHBondContact O-CB 3.18Å; V194-N198 PolarHBondContact O-N 3.19Å; V194-N198 PolarHBondContact O-ND2 3.35Å; V194-P218 HydrophobicContact CG2-CG 3.84Å; V194-V223 HydrophobicContact CG2-CG1 4.49Å; V194-V223 HydrophobicContact CG2-CG2 4.49Å; V194-W259 HydrophobicContact CG2-CZ2 4.16Å |
| 195 | E | 94 | Very high | 90.2 | Very high | 100 Ų | 100 | 40.8 Ų | 40.8 | 47% | 0.467 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.7 | -50.9 | 178.8 | -71.9 | 172.4 | 169.9 | 0 | 0 | 111.8 | L191 R192 T197 N198 V199 | L191-E195 WeakPolarHBondContact O-CG 3.43Å; L191-E195 PolarHBondContact O-N 3.21Å; R192-E195 PolarHBondContact O-N 2.9Å; E195-T197 VanDerWaalsContact C-N 3.29Å; E195-T197 PolarHBondContact O-N 2.82Å; E195-N198 CarbonylContact O-C 3.39Å; E195-N198 PolarHBondContact O-N 2.97Å; E195-N198 VanDerWaalsContact O-N 3.09Å; E195-V199 WeakPolarHBondContact O-CG2 3.48Å; E195-V199 PolarHBondContact O-N 3.44Å |
| 196 | N | 89.5 | Confident | 89.5 | Confident | 70 Ų | 70 | 42.4 Ų | 42.4 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60 | -39.8 | 178.2 | -72 | -3.7 | 0 | 0 | 0 | 112 | V147 R192 V199 I200 | V147-N196 HydrophobicContact CB-CB 4.24Å; V147-N196 HydrophobicContact CG2-CB 3.94Å; R192-N196 WeakPolarHBondContact O-CB 3.31Å; R192-N196 VanDerWaalsContact O-CG 3.24Å; R192-N196 PolarHBondContact O-N 3.24Å; R192-N196 PolarHBondContact O-OD1 3.05Å; N196-V199 PolarHBondContact O-N 2.76Å; N196-I200 WeakPolarHBondContact O-CG1 3.47Å; N196-I200 PolarHBondContact O-N 3.33Å |
| 197 | T | 91.7 | Very high | 88.6 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 175.2 | -56.1 | 0 | 0 | 0 | 0 | 110.7 | L155 L167 I193 V194 E195 I200 I201 V216 | L155-T197 HydrophobicContact CD2-CG2 3.86Å; L167-T197 HydrophobicContact CD2-CG2 4.43Å; I193-T197 WeakPolarHBondContact O-CB 3.37Å; I193-T197 PolarHBondContact O-N 2.87Å; I193-T197 PolarHBondContact O-OG1 3.43Å; V194-T197 PolarHBondContact O-N 3.36Å; E195-T197 VanDerWaalsContact C-N 3.29Å; E195-T197 PolarHBondContact O-N 2.82Å; T197-I200 PolarHBondContact O-N 2.91Å; T197-I201 HydrophobicContact CG2-CD1 4.07Å; T197-I201 WeakPolarHBondContact O-CG1 3.27Å; T197-I201 PolarHBondContact O-N 3.46Å; T197-V216 HydrophobicContact CG2-CG2 3.86Å |
| 198 | N | 94.2 | Very high | 87.8 | Confident | 31 Ų | 31 | 55.4 Ų | 55.4 | 17% | 0.166 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70 | -30 | 179 | -76.4 | -25.6 | 0 | 0 | 0 | 113.2 | V194 E195 I201 A202 M215 V216 | V194-N198 WeakPolarHBondContact O-CB 3.18Å; V194-N198 PolarHBondContact O-N 3.19Å; V194-N198 PolarHBondContact O-ND2 3.35Å; E195-N198 CarbonylContact O-C 3.39Å; E195-N198 PolarHBondContact O-N 2.97Å; E195-N198 VanDerWaalsContact O-N 3.09Å; N198-I201 PolarHBondContact O-N 3.47Å; N198-A202 VanDerWaalsContact O-CB 3.3Å; N198-A202 WeakPolarHBondContact O-CB 3.48Å; N198-A202 PolarHBondContact O-N 3.24Å; N198-M215 WeakPolarHBondContact OD1-CA 3.38Å; N198-M215 WeakPolarHBondContact OD1-CB 3.44Å; N198-V216 PolarHBondContact ND2-O 3.14Å; N198-V216 WeakPolarHBondContact OD1-CG2 3.26Å; N198-V216 PolarHBondContact OD1-N 3.36Å; N198-V216 PolarHBondContact OD1-O 2.71Å |
| 199 | V | 88.8 | Confident | 87.2 | Confident | 90 Ų | 90 | 52.3 Ų | 52.3 | 55% | 0.545 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | 171.1 | 169 | 0 | 0 | 0 | 0 | 110.4 | E195 N196 A202 T203 | E195-V199 WeakPolarHBondContact O-CG2 3.48Å; E195-V199 PolarHBondContact O-N 3.44Å; N196-V199 PolarHBondContact O-N 2.76Å; V199-A202 PolarHBondContact O-N 2.84Å; V199-T203 WeakPolarHBondContact O-CB 3.39Å; V199-T203 PolarHBondContact O-N 3.43Å; V199-T203 PolarHBondContact O-OG1 2.86Å |
| 200 | I | 83.3 | Confident | 86.9 | Confident | 13 Ų | 13 | 55 Ų | 55 | 7% | 0.067 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.7 | -45 | 175.7 | -64.7 | 164.4 | 0 | 0 | 0 | 110.3 | V147 E152 L155 N196 T197 A202 T203 Y204 | V147-I200 HydrophobicContact CG1-CD1 3.46Å; V147-I200 VanDerWaalsContact CG1-CD1 3.46Å; E152-I200 HydrophobicContact CB-CD1 3.79Å; E152-I200 HydrophobicContact CB-CG1 4.44Å; E152-I200 HydrophobicContact CG-CD1 3.92Å; E152-I200 HydrophobicContact CG-CG1 4.02Å; E152-I200 HydrophobicContact CG-CG2 4Å; L155-I200 HydrophobicContact CB-CG2 4.3Å; L155-I200 HydrophobicContact CD2-CB 4.1Å; L155-I200 HydrophobicContact CD2-CG2 3.75Å; L155-I200 HydrophobicContact CG-CG2 3.98Å; N196-I200 WeakPolarHBondContact O-CG1 3.47Å; N196-I200 PolarHBondContact O-N 3.33Å; T197-I200 PolarHBondContact O-N 2.91Å; I200-A202 VanDerWaalsContact C-N 3.33Å; I200-A202 PolarHBondContact O-N 2.84Å; I200-T203 PolarHBondContact O-N 2.87Å; I200-Y204 HydrophobicContact CG2-CD2 3.76Å; I200-Y204 HydrophobicContact CG2-CE2 3.97Å; I200-Y204 VanDerWaalsContact O-CD2 3.31Å; I200-Y204 WeakPolarHBondContact O-CD2 3.45Å; I200-Y204 PolarHBondContact O-N 2.9Å; I200-Y204 VanDerWaalsContact O-N 3.1Å |
| 201 | I | 90.2 | Very high | 86.6 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60 | -43 | 176.7 | -68.4 | 167.5 | 0 | 0 | 0 | 111.4 | L155 I159 P165 T197 N198 T203 G205 I214 M215 V216 | L155-I201 HydrophobicContact CD1-CG1 4.46Å; L155-I201 HydrophobicContact CD2-CG1 4.15Å; I159-I201 HydrophobicContact CD1-CB 4.43Å; I159-I201 HydrophobicContact CD1-CG1 4.11Å; P165-I201 HydrophobicContact CG-CD1 3.93Å; P165-I201 HydrophobicContact CG-CG1 4.46Å; T197-I201 HydrophobicContact CG2-CD1 4.07Å; T197-I201 WeakPolarHBondContact O-CG1 3.27Å; T197-I201 PolarHBondContact O-N 3.46Å; N198-I201 PolarHBondContact O-N 3.47Å; I201-T203 VanDerWaalsContact C-N 3.32Å; I201-G205 WeakPolarHBondContact O-CA 3.32Å; I201-G205 PolarHBondContact O-N 2.95Å; I201-I214 HydrophobicContact CG2-CD1 3.87Å; I201-I214 HydrophobicContact CG2-CG1 3.67Å; I201-M215 HydrophobicContact CG2-CG 4.24Å; I201-V216 HydrophobicContact CD1-CG1 4.36Å; I201-V216 HydrophobicContact CD1-CG2 4.47Å |
| 202 | A | 87.4 | Confident | 86.2 | Confident | 59 Ų | 59 | 56.4 Ų | 56.4 | 49% | 0.488 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -70.7 | -28.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N198 V199 I200 M215 | N198-A202 VanDerWaalsContact O-CB 3.3Å; N198-A202 WeakPolarHBondContact O-CB 3.48Å; N198-A202 PolarHBondContact O-N 3.24Å; V199-A202 PolarHBondContact O-N 2.84Å; I200-A202 VanDerWaalsContact C-N 3.33Å; I200-A202 PolarHBondContact O-N 2.84Å; A202-M215 HydrophobicContact CB-CE 4.27Å |
| 203 | T | 79 | Confident | 86.2 | Confident | 93 Ų | 93 | 57.6 Ų | 57.6 | 57% | 0.571 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -73.4 | -41.9 | 179.6 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | V199 I200 I201 | V199-T203 WeakPolarHBondContact O-CB 3.39Å; V199-T203 PolarHBondContact O-N 3.43Å; V199-T203 PolarHBondContact O-OG1 2.86Å; I200-T203 PolarHBondContact O-N 2.87Å; I201-T203 VanDerWaalsContact C-N 3.32Å |
| 204 | Y | 80.1 | Confident | 86.2 | Confident | 84 Ų | 84 | 57.9 Ų | 57.9 | 33% | 0.329 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -107 | -14.3 | -174.3 | -59.2 | -67.1 | 0 | 0 | 0 | 114 | E152 R156 I159 I200 | E152-Y204 HydrophobicContact CG-CE2 4.11Å; E152-Y204 PolarHBondContact OE1-OH 3.02Å; R156-Y204 HydrophobicContact CB-CD2 3.95Å; R156-Y204 HydrophobicContact CB-CE2 4.05Å; R156-Y204 HydrophobicContact CB-CG 4.26Å; R156-Y204 VanDerWaalsContact CD-CZ 3.41Å; R156-Y204 HydrophobicContact CG-CD1 3.81Å; R156-Y204 HydrophobicContact CG-CD2 3.98Å; R156-Y204 HydrophobicContact CG-CE1 3.91Å; R156-Y204 HydrophobicContact CG-CE2 4.09Å; R156-Y204 HydrophobicContact CG-CG 3.84Å; R156-Y204 PolarHBondContact NH1-OH 2.64Å; I159-Y204 VanDerWaalsContact CG2-O 3.27Å; I159-Y204 WeakPolarHBondContact CG2-O 3.45Å; I200-Y204 HydrophobicContact CG2-CD2 3.76Å; I200-Y204 HydrophobicContact CG2-CE2 3.97Å; I200-Y204 VanDerWaalsContact O-CD2 3.31Å; I200-Y204 WeakPolarHBondContact O-CD2 3.45Å; I200-Y204 PolarHBondContact O-N 2.9Å; I200-Y204 VanDerWaalsContact O-N 3.1Å |
| 205 | G | 77.5 | Confident | 86.1 | Confident | 17 Ų | 17 | 60.8 Ų | 60.8 | 18% | 0.175 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -99.3 | 162.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I201 | I201-G205 WeakPolarHBondContact O-CA 3.32Å; I201-G205 PolarHBondContact O-N 2.95Å |
| 206 | E | 77.2 | Confident | 86.2 | Confident | 133 Ų | 133 | 56.1 Ų | 56.1 | 62% | 0.621 | 32% | 0.321 | S | S | * | . | trans | -114.9 | 112 | 176.6 | -68 | 171.8 | -167.6 | 0 | 0 | 108.6 | T208 G209 | E206-T208 VanDerWaalsContact C-N 3.28Å; E206-T208 PolarHBondContact O-N 3.44Å; E206-G209 WeakPolarHBondContact O-CA 3.44Å; E206-G209 PolarHBondContact O-N 3.35Å | ||
| 207 | E | 75.2 | Confident | 86.5 | Confident | 127 Ų | 127 | 55.5 Ų | 55.5 | 59% | 0.593 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -38.4 | -178 | -172.7 | 175.6 | -170.7 | 0 | 0 | 112.3 | G209 G212 | E207-G209 VanDerWaalsContact C-N 3.29Å; E207-G212 CarbonylContact O-C 3.49Å |
| 208 | T | 78.8 | Confident | 86.8 | Confident | 145 Ų | 145 | 55.5 Ų | 55.5 | 89% | 0.89 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 7.6 | 172.5 | 58.9 | 0 | 0 | 0 | 0 | 113 | E206 | E206-T208 VanDerWaalsContact C-N 3.28Å; E206-T208 PolarHBondContact O-N 3.44Å |
| 209 | G | 82.1 | Confident | 86.9 | Confident | 13 Ų | 13 | 54.5 Ų | 54.5 | 13% | 0.134 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -71.2 | 178 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E206 E207 M211 G212 | E206-G209 WeakPolarHBondContact O-CA 3.44Å; E206-G209 PolarHBondContact O-N 3.35Å; E207-G209 VanDerWaalsContact C-N 3.29Å; G209-M211 PolarHBondContact O-N 3.42Å; G209-M211 VanDerWaalsContact O-N 3.1Å; G209-G212 PolarHBondContact O-N 2.92Å |
| 210 | P | 85.1 | Confident | 87.1 | Confident | 63 Ų | 63 | 53.1 Ų | 53.1 | 41% | 0.409 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -12.2 | -171.8 | 31.9 | -38.4 | 0 | 0 | 0 | 113.6 | Y361 | P210-Y361 VanDerWaalsContact O-CB 3.31Å; P210-Y361 WeakPolarHBondContact O-CB 3.38Å |
| 211 | M | 88.4 | Confident | 87.7 | Confident | 38 Ų | 38 | 52.7 Ų | 52.7 | 19% | 0.187 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -14.1 | 170.5 | -64.5 | -165.9 | -74.7 | 0 | 0 | 113.6 | I159 R162 G209 I214 Y361 | I159-M211 HydrophobicContact CG2-CE 4.39Å; R162-M211 WeakPolarHBondContact CA-SD 3.46Å; R162-M211 HydrophobicContact CB-CE 4.28Å; R162-M211 HydrophobicContact CB-CG 4.17Å; R162-M211 HydrophobicContact CB-SD 3.7Å; R162-M211 HydrophobicContact CG-CE 4.26Å; R162-M211 HydrophobicContact CG-CG 4.37Å; R162-M211 HydrophobicContact CG-SD 4.22Å; G209-M211 PolarHBondContact O-N 3.42Å; G209-M211 VanDerWaalsContact O-N 3.1Å; M211-I214 HydrophobicContact CB-CG2 3.76Å; M211-I214 HydrophobicContact CE-CD1 3.84Å; M211-I214 HydrophobicContact SD-CG2 4.42Å; M211-Y361 HydrophobicContact CG-CD2 3.7Å; M211-Y361 HydrophobicContact CG-CE2 3.62Å; M211-Y361 HydrophobicContact CG-CG 4.33Å; M211-Y361 HydrophobicContact SD-CE2 4.09Å |
| 212 | G | 87.6 | Confident | 88 | Confident | 27 Ų | 27 | 52.8 Ų | 52.8 | 28% | 0.278 | 30% | 0.302 | S | S | . | . | trans | 63.3 | -155.6 | -167.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E207 G209 I214 | E207-G212 CarbonylContact O-C 3.49Å; G209-G212 PolarHBondContact O-N 2.92Å; G212-I214 PolarHBondContact O-N 3.11Å | ||
| 213 | N | 90.4 | Very high | 88.5 | Confident | 91 Ų | 91 | 50 Ų | 50 | 49% | 0.487 | 28% | 0.279 | S | S | . | . | trans | -71.9 | 115.7 | 178.5 | -171.7 | -16.7 | 0 | 0 | 0 | 111.3 | M215 | N213-M215 VanDerWaalsContact OD1-CB 3.25Å; N213-M215 WeakPolarHBondContact OD1-CB 2.86Å; N213-M215 WeakPolarHBondContact OD1-CG 3.3Å; N213-M215 PolarHBondContact OD1-N 3.33Å | ||
| 214 | I | 93.4 | Very high | 89.4 | Confident | 9 Ų | 9 | 45.5 Ų | 45.5 | 5% | 0.046 | 25% | 0.252 | C | S | . | . | trans | -111.3 | 11.5 | 179 | 57.3 | 157.5 | 0 | 0 | 0 | 113.3 | I159 K164 I201 M211 G212 | I159-I214 HydrophobicContact CG1-CD1 4.16Å; I159-I214 HydrophobicContact CG2-CD1 4.47Å; K164-I214 HydrophobicContact CG-CG2 4.2Å; I201-I214 HydrophobicContact CG2-CD1 3.87Å; I201-I214 HydrophobicContact CG2-CG1 3.67Å; M211-I214 HydrophobicContact CB-CG2 3.76Å; M211-I214 HydrophobicContact CE-CD1 3.84Å; M211-I214 HydrophobicContact SD-CG2 4.42Å; G212-I214 PolarHBondContact O-N 3.11Å | ||
| 215 | M | 94.4 | Very high | 90.2 | Very high | 69 Ų | 69 | 41.5 Ų | 41.5 | 34% | 0.34 | 24% | 0.236 | S | C | . | . | trans | -61.2 | 146.5 | 175.5 | -66.4 | -175.6 | -174.2 | 0 | 0 | 111.1 | N198 I201 A202 N213 | N198-M215 WeakPolarHBondContact OD1-CA 3.38Å; N198-M215 WeakPolarHBondContact OD1-CB 3.44Å; I201-M215 HydrophobicContact CG2-CG 4.24Å; A202-M215 HydrophobicContact CB-CE 4.27Å; N213-M215 VanDerWaalsContact OD1-CB 3.25Å; N213-M215 WeakPolarHBondContact OD1-CB 2.86Å; N213-M215 WeakPolarHBondContact OD1-CG 3.3Å; N213-M215 PolarHBondContact OD1-N 3.33Å | ||
| 216 | V | 96.3 | Very high | 91.1 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | trans | -92.6 | 134.3 | 175.6 | -63.3 | 0 | 0 | 0 | 0 | 110.1 | L167 T197 N198 I201 V223 | L167-V216 HydrophobicContact CB-CB 4.24Å; L167-V216 HydrophobicContact CB-CG1 4.17Å; L167-V216 HydrophobicContact CB-CG2 4.09Å; L167-V216 HydrophobicContact CD2-CG2 4.05Å; T197-V216 HydrophobicContact CG2-CG2 3.86Å; N198-V216 PolarHBondContact ND2-O 3.14Å; N198-V216 WeakPolarHBondContact OD1-CG2 3.26Å; N198-V216 PolarHBondContact OD1-N 3.36Å; N198-V216 PolarHBondContact OD1-O 2.71Å; I201-V216 HydrophobicContact CD1-CG1 4.36Å; I201-V216 HydrophobicContact CD1-CG2 4.47Å; V216-V223 HydrophobicContact CB-CG2 3.94Å; V216-V223 HydrophobicContact CG2-CG2 4.32Å | ||
| 217 | D | 96.5 | Very high | 91.9 | Very high | 57 Ų | 57 | 34.4 Ų | 34.4 | 31% | 0.305 | 20% | 0.198 | S | C | . | . | trans | -141.8 | 120.6 | -179.5 | 176 | 12.3 | 0 | 0 | 0 | 110.5 | A219 I220 G221 S222 | D217-A219 VanDerWaalsContact C-N 3.25Å; D217-A219 PolarHBondContact O-N 3.27Å; D217-A219 VanDerWaalsContact OD1-CB 3.3Å; D217-A219 WeakPolarHBondContact OD1-CB 2.88Å; D217-A219 PolarHBondContact OD1-N 3.01Å; D217-I220 HydrophobicContact CB-CD1 4.25Å; D217-I220 HydrophobicContact CB-CG1 3.97Å; D217-I220 WeakPolarHBondContact O-CG1 3.46Å; D217-I220 PolarHBondContact O-N 3.41Å; D217-G221 PolarHBondContact O-N 3.17Å; D217-S222 PolarHBondContact N-OG 3.21Å; D217-S222 PolarHBondContact O-N 3.11Å; D217-S222 PolarHBondContact O-OG 3.49Å | ||
| 218 | P | 97.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -59.6 | -33.4 | 174.1 | -24.3 | 35.3 | 0 | 0 | 0 | 113.4 | V194 I220 G221 V223 F225 L236 W259 | V194-P218 HydrophobicContact CG2-CG 3.84Å; P218-I220 PolarHBondContact O-N 3.05Å; P218-G221 PolarHBondContact O-N 3.28Å; P218-V223 HydrophobicContact CB-CB 4.1Å; P218-V223 HydrophobicContact CB-CG2 4.42Å; P218-V223 HydrophobicContact CG-CB 3.72Å; P218-V223 HydrophobicContact CG-CG1 4.13Å; P218-V223 HydrophobicContact CG-CG2 3.71Å; P218-F225 HydrophobicContact CB-CE2 4.26Å; P218-F225 HydrophobicContact CB-CZ 4.14Å; P218-F225 HydrophobicContact CG-CZ 4.07Å; P218-L236 HydrophobicContact CB-CD1 3.99Å; P218-L236 HydrophobicContact CB-CG 4.43Å; P218-L236 WeakPolarHBondContact O-CD1 3.48Å; P218-W259 HydrophobicContact CB-CD2 3.64Å; P218-W259 HydrophobicContact CB-CE3 3.84Å; P218-W259 HydrophobicContact CB-CG 4.01Å; P218-W259 HydrophobicContact CB-CZ2 4.38Å; P218-W259 HydrophobicContact CB-CZ3 4.29Å; P218-W259 HydrophobicContact CG-CD2 3.79Å; P218-W259 VanDerWaalsContact CG-CE2 3.48Å; P218-W259 HydrophobicContact CG-CE3 4.14Å; P218-W259 HydrophobicContact CG-CG 4.38Å; P218-W259 HydrophobicContact CG-CH2 3.99Å; P218-W259 HydrophobicContact CG-CZ2 3.62Å; P218-W259 HydrophobicContact CG-CZ3 4.22Å |
| 219 | A | 95.4 | Very high | 92.9 | Very high | 11 Ų | 11 | 25.3 Ų | 25.3 | 9% | 0.091 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -65 | -23.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D217 M255 K256 W259 | D217-A219 VanDerWaalsContact C-N 3.25Å; D217-A219 PolarHBondContact O-N 3.27Å; D217-A219 VanDerWaalsContact OD1-CB 3.3Å; D217-A219 WeakPolarHBondContact OD1-CB 2.88Å; D217-A219 PolarHBondContact OD1-N 3.01Å; A219-M255 WeakPolarHBondContact O-CB 3.35Å; A219-K256 HydrophobicContact CB-CG 4.45Å; A219-W259 HydrophobicContact CB-CB 4.13Å |
| 220 | I | 94.2 | Very high | 93.3 | Very high | 61 Ų | 61 | 24.9 Ų | 24.9 | 31% | 0.313 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -96 | -9.1 | 173.5 | 69.4 | 173.6 | 0 | 0 | 0 | 113.4 | D217 P218 H351 | D217-I220 HydrophobicContact CB-CD1 4.25Å; D217-I220 HydrophobicContact CB-CG1 3.97Å; D217-I220 WeakPolarHBondContact O-CG1 3.46Å; D217-I220 PolarHBondContact O-N 3.41Å; P218-I220 PolarHBondContact O-N 3.05Å; I220-H351 PolarHBondContact O-CE1 2.81Å; I220-H351 PolarHBondContact O-NE2 3.21Å |
| 221 | G | 95.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.5 | 3.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | D217 P218 V223 H351 | D217-G221 PolarHBondContact O-N 3.17Å; P218-G221 PolarHBondContact O-N 3.28Å; G221-V223 PolarHBondContact O-N 3.01Å; G221-H351 PolarHBondContact O-NE2 3.19Å |
| 222 | S | 96 | Very high | 93.8 | Very high | 6 Ų | 6 | 20.6 Ų | 20.6 | 4% | 0.042 | 12% | 0.119 | C | C | . | . | trans | -77.3 | -0.4 | -178.7 | 62.7 | 0 | 0 | 0 | 0 | 114.7 | L167 D217 H351 | L167-S222 PolarHBondContact N-O 3.34Å; L167-S222 VanDerWaalsContact N-O 3.13Å; D217-S222 PolarHBondContact N-OG 3.21Å; D217-S222 PolarHBondContact O-N 3.11Å; D217-S222 PolarHBondContact O-OG 3.49Å; S222-H351 PolarHBondContact N-NE2 2.96Å | ||
| 223 | V | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 123.2 | 177.9 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | L167 M169 V194 V216 P218 G221 F225 | L167-V223 HydrophobicContact CB-CG1 4.24Å; L167-V223 HydrophobicContact CB-CG2 4.17Å; L167-V223 HydrophobicContact CD2-CG1 4.06Å; L167-V223 HydrophobicContact CD2-CG2 4.39Å; L167-V223 HydrophobicContact CG-CG1 4.16Å; L167-V223 CarbonylContact O-C 3.33Å; L167-V223 VanDerWaalsContact O-CA 3.28Å; L167-V223 WeakPolarHBondContact O-CA 3.48Å; M169-V223 HydrophobicContact CE-CG1 4.06Å; V194-V223 HydrophobicContact CG2-CG1 4.49Å; V194-V223 HydrophobicContact CG2-CG2 4.49Å; V216-V223 HydrophobicContact CB-CG2 3.94Å; V216-V223 HydrophobicContact CG2-CG2 4.32Å; P218-V223 HydrophobicContact CB-CB 4.1Å; P218-V223 HydrophobicContact CB-CG2 4.42Å; P218-V223 HydrophobicContact CG-CB 3.72Å; P218-V223 HydrophobicContact CG-CG1 4.13Å; P218-V223 HydrophobicContact CG-CG2 3.71Å; G221-V223 PolarHBondContact O-N 3.01Å; V223-F225 HydrophobicContact CB-CE2 4.46Å; V223-F225 HydrophobicContact CB-CZ 4.43Å; V223-F225 HydrophobicContact CG1-CE1 4.17Å; V223-F225 HydrophobicContact CG1-CE2 4.06Å; V223-F225 HydrophobicContact CG1-CZ 3.74Å |
| 224 | G | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 152.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L167 F168 M169 F234 M347 | L167-G224 PolarHBondContact O-N 3.25Å; F168-G224 CarbonylContact C-O 3.57Å; F168-G224 WeakPolarHBondContact CA-O 3.25Å; M169-G224 PolarHBondContact N-O 2.88Å; G224-F234 CarbonylContact C-O 3.6Å; G224-F234 WeakPolarHBondContact CA-O 3.39Å; G224-M347 PolarHBondContact N-SD 3.42Å |
| 225 | F | 97.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 139.1 | 179.3 | -53 | -93 | 0 | 0 | 0 | 109.1 | M169 M172 F190 P218 V223 A233 F234 W259 | M169-F225 HydrophobicContact CB-CD1 4.03Å; M169-F225 HydrophobicContact CE-CE1 3.87Å; M169-F225 HydrophobicContact CG-CD1 4.2Å; M169-F225 HydrophobicContact CG-CE1 4.32Å; M169-F225 HydrophobicContact SD-CD1 3.77Å; M169-F225 HydrophobicContact SD-CE1 3.54Å; M169-F225 VanDerWaalsContact SD-CE1 3.54Å; M172-F225 HydrophobicContact SD-CB 4.34Å; F190-F225 HydrophobicContact CB-CE1 3.98Å; F190-F225 HydrophobicContact CD1-CD1 4.33Å; F190-F225 HydrophobicContact CD1-CE1 4.39Å; F190-F225 AromaticContact CD2-CD1 3.82Å; F190-F225 HydrophobicContact CD2-CD1 3.82Å; F190-F225 AromaticContact CD2-CE1 3.72Å; F190-F225 HydrophobicContact CD2-CE1 3.72Å; F190-F225 HydrophobicContact CE1-CD1 4.38Å; F190-F225 AromaticContact CE2-CD1 3.87Å; F190-F225 HydrophobicContact CE2-CD1 3.87Å; F190-F225 HydrophobicContact CE2-CE1 4.25Å; F190-F225 HydrophobicContact CG-CD1 4.06Å; F190-F225 AromaticContact CG-CE1 3.8Å; F190-F225 HydrophobicContact CG-CE1 3.8Å; F190-F225 HydrophobicContact CZ-CD1 4.15Å; P218-F225 HydrophobicContact CB-CE2 4.26Å; P218-F225 HydrophobicContact CB-CZ 4.14Å; P218-F225 HydrophobicContact CG-CZ 4.07Å; V223-F225 HydrophobicContact CB-CE2 4.46Å; V223-F225 HydrophobicContact CB-CZ 4.43Å; V223-F225 HydrophobicContact CG1-CE1 4.17Å; V223-F225 HydrophobicContact CG1-CE2 4.06Å; V223-F225 HydrophobicContact CG1-CZ 3.74Å; F225-A233 CarbonylContact O-C 3.41Å; F225-A233 WeakPolarHBondContact O-CA 3.45Å; F225-A233 WeakPolarHBondContact O-CB 3.47Å; F225-F234 HydrophobicContact CB-CD1 4.25Å; F225-F234 HydrophobicContact CB-CD2 4.46Å; F225-F234 HydrophobicContact CB-CE1 3.68Å; F225-F234 HydrophobicContact CB-CE2 3.91Å; F225-F234 HydrophobicContact CB-CZ 3.5Å; F225-F234 HydrophobicContact CD2-CD2 4.17Å; F225-F234 AromaticContact CD2-CE2 3.62Å; F225-F234 HydrophobicContact CD2-CE2 3.62Å; F225-F234 HydrophobicContact CD2-CZ 4.04Å; F225-F234 HydrophobicContact CE2-CE2 4.46Å; F225-F234 HydrophobicContact CG-CE2 4.01Å; F225-F234 AromaticContact CG-CZ 3.93Å; F225-F234 HydrophobicContact CG-CZ 3.93Å; F225-F234 PolarHBondContact N-O 3.15Å; F225-F234 PolarHBondContact O-N 3.37Å; F225-W259 HydrophobicContact CE1-CZ3 4.49Å; F225-W259 HydrophobicContact CZ-CH2 4.19Å; F225-W259 AromaticContact CZ-CZ3 3.94Å; F225-W259 HydrophobicContact CZ-CZ3 3.94Å |
| 226 | G | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.9 | -154.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | M169 N170 K171 M172 W232 | M169-G226 PolarHBondContact O-N 2.91Å; N170-G226 CarbonylContact C-O 3.59Å; N170-G226 WeakPolarHBondContact CA-O 3.33Å; K171-G226 PolarHBondContact N-O 2.87Å; M172-G226 VanDerWaalsContact CB-O 3.24Å; M172-G226 WeakPolarHBondContact CB-O 3.36Å; M172-G226 PolarHBondContact N-O 3.08Å; G226-W232 WeakPolarHBondContact CA-O 3.42Å |
| 227 | S | 94.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 110.5 | 179.4 | 174.1 | 0 | 0 | 0 | 0 | 109.6 | D173 L229 H230 G231 W232 | D173-S227 VanDerWaalsContact CG-OG 3.25Å; D173-S227 WeakPolarHBondContact OD1-CB 3.48Å; D173-S227 PolarHBondContact OD1-OG 3.5Å; S227-L229 VanDerWaalsContact C-N 3.25Å; S227-L229 PolarHBondContact O-N 3.3Å; S227-H230 PolarHBondContact O-N 3.1Å; S227-H230 WeakPolarHBondContact OG-CB 3.42Å; S227-H230 PolarHBondContact OG-N 2.96Å; S227-G231 PolarHBondContact O-N 3.01Å; S227-W232 PolarHBondContact N-O 3.01Å; S227-W232 PolarHBondContact O-N 3.41Å |
| 228 | G | 88.6 | Confident | 94.5 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.01 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -37.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N170 H230 G231 | N170-G228 PolarHBondContact OD1-N 3.25Å; G228-H230 PolarHBondContact O-N 3.27Å; G228-G231 PolarHBondContact O-N 3.19Å |
| 229 | L | 87.2 | Confident | 94.4 | Very high | 80 Ų | 80 | 10.3 Ų | 10.3 | 42% | 0.419 | 6% | 0.058 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -39.4 | 179.3 | -177.3 | 64.8 | 0 | 0 | 0 | 112.3 | T34 S227 | T34-L229 HydrophobicContact CG2-CB 4.31Å; S227-L229 VanDerWaalsContact C-N 3.25Å; S227-L229 PolarHBondContact O-N 3.3Å |
| 230 | H | 89.4 | Confident | 94.4 | Very high | 5 Ų | 5 | 9.8 Ų | 9.8 | 2% | 0.023 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -13.9 | 177.2 | -70.6 | -160.9 | 0 | 0 | 0 | 112.5 | D173 S227 G228 K331 R335 | D173-H230 IonicContact OD2-NE2 3.32Å; S227-H230 PolarHBondContact O-N 3.1Å; S227-H230 WeakPolarHBondContact OG-CB 3.42Å; S227-H230 PolarHBondContact OG-N 2.96Å; G228-H230 PolarHBondContact O-N 3.27Å; H230-K331 HydrophobicContact CB-CG 4.07Å; H230-K331 VanDerWaalsContact CD2-CE 3.4Å; H230-K331 WeakPolarHBondContact CD2-CE 3.28Å; H230-R335 VanDerWaalsContact O-CG 3.32Å; H230-R335 WeakPolarHBondContact O-CG 3.09Å; H230-R335 PolarHBondContact O-NE 2.98Å |
| 231 | G | 89.7 | Confident | 94.3 | Very high | 10 Ų | 10 | 9 Ų | 9 | 10% | 0.103 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 25.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S227 G228 R335 A340 | S227-G231 PolarHBondContact O-N 3.01Å; G228-G231 PolarHBondContact O-N 3.19Å; G231-R335 WeakPolarHBondContact O-CG 3.3Å; G231-A340 VanDerWaalsContact C-CB 3.48Å; G231-A340 WeakPolarHBondContact O-CB 2.99Å; G231-A340 PolarHBondContact O-N 3.3Å |
| 232 | W | 94.1 | Very high | 94 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 145.1 | 177 | 66.8 | -86.3 | 0 | 0 | 0 | 112 | M172 L176 G226 S227 F234 I291 F295 M334 L338 | M172-W232 HydrophobicContact CB-CH2 4.15Å; M172-W232 HydrophobicContact CB-CZ2 4.28Å; M172-W232 HydrophobicContact CE-CH2 4.11Å; M172-W232 HydrophobicContact CG-CH2 3.92Å; M172-W232 HydrophobicContact CG-CZ2 4.38Å; M172-W232 HydrophobicContact SD-CH2 3.45Å; M172-W232 WeakPolarHBondContact SD-CH2 3.46Å; M172-W232 HydrophobicContact SD-CZ2 4.43Å; M172-W232 HydrophobicContact SD-CZ3 3.97Å; L176-W232 HydrophobicContact CD1-CH2 4.22Å; L176-W232 HydrophobicContact CD1-CZ2 4.17Å; G226-W232 WeakPolarHBondContact CA-O 3.42Å; S227-W232 PolarHBondContact N-O 3.01Å; S227-W232 PolarHBondContact O-N 3.41Å; W232-F234 HydrophobicContact CE3-CD1 4.38Å; W232-F234 AromaticContact CZ3-CD1 3.9Å; W232-F234 HydrophobicContact CZ3-CD1 3.9Å; W232-F234 AromaticContact CZ3-CE1 3.87Å; W232-F234 HydrophobicContact CZ3-CE1 3.87Å; W232-I291 HydrophobicContact CH2-CG2 4.06Å; W232-I291 HydrophobicContact CZ3-CD1 4.17Å; W232-I291 HydrophobicContact CZ3-CG2 4.45Å; W232-F295 HydrophobicContact CZ2-CE2 4.1Å; W232-F295 AromaticContact CZ2-CZ 3.79Å; W232-F295 HydrophobicContact CZ2-CZ 3.79Å; W232-M334 HydrophobicContact CB-CB 3.7Å; W232-M334 HydrophobicContact CB-CE 4.4Å; W232-M334 HydrophobicContact CD2-CB 4.38Å; W232-M334 HydrophobicContact CD2-CE 3.39Å; W232-M334 HydrophobicContact CE3-CE 3.39Å; W232-M334 HydrophobicContact CG-CB 3.62Å; W232-M334 HydrophobicContact CG-CE 3.85Å; W232-M334 HydrophobicContact CG-CG 4.33Å; W232-M334 HydrophobicContact CH2-CE 4.18Å; W232-M334 HydrophobicContact CZ2-CE 4.23Å; W232-M334 HydrophobicContact CZ3-CE 3.78Å; W232-L338 CarbonylContact C-O 3.56Å; W232-L338 WeakPolarHBondContact CA-O 3.29Å; W232-L338 VanDerWaalsContact CB-O 3.28Å; W232-L338 WeakPolarHBondContact CB-O 3.46Å |
| 233 | A | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 157.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | F168 F225 L338 A340 T343 | F168-A233 HydrophobicContact CE2-CB 3.57Å; F168-A233 HydrophobicContact CZ-CB 3.67Å; F225-A233 CarbonylContact O-C 3.41Å; F225-A233 WeakPolarHBondContact O-CA 3.45Å; F225-A233 WeakPolarHBondContact O-CB 3.47Å; A233-L338 PolarHBondContact N-O 3.45Å; A233-A340 HydrophobicContact CB-CB 3.92Å; A233-T343 HydrophobicContact CB-CG2 4.16Å; A233-T343 WeakPolarHBondContact O-CB 3.19Å; A233-T343 PolarHBondContact O-OG1 3.24Å |
| 234 | F | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 157.6 | 174.3 | 67.3 | -86.9 | 0 | 0 | 0 | 111.5 | M172 G224 F225 W232 F239 F283 V287 I291 L338 T343 | M172-F234 HydrophobicContact CE-CE1 4.22Å; M172-F234 HydrophobicContact CE-CZ 4.42Å; M172-F234 HydrophobicContact SD-CE1 3.94Å; M172-F234 HydrophobicContact SD-CZ 4.41Å; G224-F234 CarbonylContact C-O 3.6Å; G224-F234 WeakPolarHBondContact CA-O 3.39Å; F225-F234 HydrophobicContact CB-CD1 4.25Å; F225-F234 HydrophobicContact CB-CD2 4.46Å; F225-F234 HydrophobicContact CB-CE1 3.68Å; F225-F234 HydrophobicContact CB-CE2 3.91Å; F225-F234 HydrophobicContact CB-CZ 3.5Å; F225-F234 HydrophobicContact CD2-CD2 4.17Å; F225-F234 AromaticContact CD2-CE2 3.62Å; F225-F234 HydrophobicContact CD2-CE2 3.62Å; F225-F234 HydrophobicContact CD2-CZ 4.04Å; F225-F234 HydrophobicContact CE2-CE2 4.46Å; F225-F234 HydrophobicContact CG-CE2 4.01Å; F225-F234 AromaticContact CG-CZ 3.93Å; F225-F234 HydrophobicContact CG-CZ 3.93Å; F225-F234 PolarHBondContact N-O 3.15Å; F225-F234 PolarHBondContact O-N 3.37Å; W232-F234 HydrophobicContact CE3-CD1 4.38Å; W232-F234 AromaticContact CZ3-CD1 3.9Å; W232-F234 HydrophobicContact CZ3-CD1 3.9Å; W232-F234 AromaticContact CZ3-CE1 3.87Å; W232-F234 HydrophobicContact CZ3-CE1 3.87Å; F234-F239 HydrophobicContact CB-CD2 4.24Å; F234-F239 HydrophobicContact CB-CE2 3.87Å; F234-F239 HydrophobicContact CD1-CE2 4.13Å; F234-F239 AromaticContact CD2-CD2 3.81Å; F234-F239 HydrophobicContact CD2-CD2 3.81Å; F234-F239 AromaticContact CD2-CE2 3.67Å; F234-F239 HydrophobicContact CD2-CE2 3.67Å; F234-F239 HydrophobicContact CE2-CD2 4.45Å; F234-F239 HydrophobicContact CE2-CE2 4.24Å; F234-F239 HydrophobicContact CG-CD2 4.12Å; F234-F239 AromaticContact CG-CE2 3.61Å; F234-F239 HydrophobicContact CG-CE2 3.61Å; F234-F283 HydrophobicContact CE2-CE2 4.27Å; F234-F283 HydrophobicContact CE2-CZ 4.34Å; F234-F283 HydrophobicContact CZ-CZ 4.32Å; F234-V287 HydrophobicContact CD2-CG1 4Å; F234-V287 HydrophobicContact CE1-CG1 4.42Å; F234-V287 HydrophobicContact CE2-CG1 3.28Å; F234-V287 HydrophobicContact CZ-CG1 3.53Å; F234-I291 HydrophobicContact CD1-CD1 3.99Å; F234-I291 HydrophobicContact CE1-CD1 3.47Å; F234-I291 VanDerWaalsContact CE1-CD1 3.47Å; F234-I291 HydrophobicContact CZ-CD1 4.01Å; F234-L338 HydrophobicContact CB-CD1 4.27Å; F234-L338 HydrophobicContact CB-CD2 4.22Å; F234-L338 HydrophobicContact CD1-CD1 4.33Å; F234-T343 VanDerWaalsContact C-CG2 3.48Å; F234-T343 VanDerWaalsContact CA-CG2 3.49Å |
| 235 | T | 97.1 | Very high | 92.9 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | trans | -111.5 | 173.9 | 155.8 | 69.1 | 0 | 0 | 0 | 0 | 107.6 | K237 Q238 T343 M347 | T235-K237 PolarHBondContact O-N 3.44Å; T235-K237 VanDerWaalsContact O-N 3.13Å; T235-K237 WeakPolarHBondContact OG1-CB 3.31Å; T235-K237 PolarHBondContact OG1-N 2.78Å; T235-Q238 PolarHBondContact O-N 3.22Å; T235-Q238 PolarHBondContact O-OE1 3.01Å; T235-Q238 VanDerWaalsContact O-OE1 3.08Å; T235-Q238 PolarHBondContact OG1-OE1 2.8Å; T235-T343 HydrophobicContact CG2-CG2 3.94Å; T235-M347 HydrophobicContact CG2-CB 4.42Å; T235-M347 HydrophobicContact CG2-CG 4.48Å; T235-M347 HydrophobicContact CG2-SD 4.14Å | ||
| 236 | L | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.9 | -19.6 | 174.7 | -63 | -173.5 | 0 | 0 | 0 | 113.2 | P218 F239 A240 M255 L258 W259 F283 V287 | P218-L236 HydrophobicContact CB-CD1 3.99Å; P218-L236 HydrophobicContact CB-CG 4.43Å; P218-L236 WeakPolarHBondContact O-CD1 3.48Å; L236-F239 PolarHBondContact O-N 2.85Å; L236-A240 WeakPolarHBondContact O-CB 3.46Å; L236-A240 PolarHBondContact O-N 3.47Å; L236-M255 HydrophobicContact CB-CB 4.35Å; L236-M255 HydrophobicContact CB-CE 4.38Å; L236-M255 HydrophobicContact CB-CG 4.22Å; L236-L258 HydrophobicContact CD1-CB 4.17Å; L236-L258 HydrophobicContact CD2-CB 4.15Å; L236-W259 HydrophobicContact CD1-CB 3.66Å; L236-W259 HydrophobicContact CD1-CE3 4.31Å; L236-W259 HydrophobicContact CD1-CG 4.32Å; L236-F283 HydrophobicContact CD2-CD2 3.74Å; L236-F283 HydrophobicContact CD2-CE2 3.66Å; L236-V287 HydrophobicContact CD2-CG2 4.13Å |
| 237 | K | 94.5 | Very high | 91.9 | Very high | 9 Ų | 9 | 34.5 Ų | 34.5 | 4% | 0.039 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.3 | -47.3 | 177.4 | -177.2 | -177.3 | 175.4 | -68.2 | 0 | 111.9 | D85 Y88 T235 F239 A240 E241 M255 I350 | D85-K237 VanDerWaalsContact CG-NZ 3.25Å; D85-K237 WeakPolarHBondContact OD1-CE 3.16Å; D85-K237 IonicContact OD1-NZ 2.87Å; D85-K237 PolarHBondContact OD1-NZ 3.03Å; D85-K237 IonicContact OD2-NZ 3.25Å; Y88-K237 HydrophobicContact CD2-CD 4.35Å; Y88-K237 VanDerWaalsContact CE2-CE 3.44Å; T235-K237 PolarHBondContact O-N 3.44Å; T235-K237 VanDerWaalsContact O-N 3.13Å; T235-K237 WeakPolarHBondContact OG1-CB 3.31Å; T235-K237 PolarHBondContact OG1-N 2.78Å; K237-F239 PolarHBondContact O-N 2.88Å; K237-A240 PolarHBondContact O-N 2.74Å; K237-E241 VanDerWaalsContact CE-OE1 3.3Å; K237-E241 WeakPolarHBondContact CE-OE1 3.31Å; K237-E241 IonicContact NZ-OE1 3.19Å; K237-E241 PolarHBondContact NZ-OE1 3.31Å; K237-E241 IonicContact NZ-OE2 3.51Å; K237-E241 WeakPolarHBondContact O-CG 3.3Å; K237-E241 PolarHBondContact O-N 3.1Å; K237-M255 HydrophobicContact CB-CE 4.1Å; K237-M255 HydrophobicContact CB-SD 4.02Å; K237-M255 HydrophobicContact CG-SD 4.47Å; K237-I350 HydrophobicContact CD-CD1 4.24Å |
| 238 | Q | 93.3 | Very high | 91.5 | Very high | 25 Ų | 25 | 37.9 Ų | 37.9 | 12% | 0.117 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.8 | -46.4 | -177.2 | -73.9 | 74.5 | 27.6 | 0 | 0 | 111.2 | T235 E241 M242 L338 Q346 | T235-Q238 PolarHBondContact O-N 3.22Å; T235-Q238 PolarHBondContact O-OE1 3.01Å; T235-Q238 VanDerWaalsContact O-OE1 3.08Å; T235-Q238 PolarHBondContact OG1-OE1 2.8Å; Q238-E241 PolarHBondContact O-N 3.45Å; Q238-M242 VanDerWaalsContact O-CG 3.3Å; Q238-M242 WeakPolarHBondContact O-CG 3.31Å; Q238-M242 PolarHBondContact O-N 3.35Å; Q238-M242 VanDerWaalsContact O-N 3.15Å; Q238-L338 HydrophobicContact CB-CD2 4.38Å; Q238-Q346 VanDerWaalsContact NE2-OE1 3.09Å |
| 239 | F | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.4 | -38.2 | 177.1 | -77 | -83.2 | 0 | 0 | 0 | 112.6 | F234 L236 K237 E241 M242 Y243 L258 F286 V287 I291 W337 L338 | F234-F239 HydrophobicContact CB-CD2 4.24Å; F234-F239 HydrophobicContact CB-CE2 3.87Å; F234-F239 HydrophobicContact CD1-CE2 4.13Å; F234-F239 AromaticContact CD2-CD2 3.81Å; F234-F239 HydrophobicContact CD2-CD2 3.81Å; F234-F239 AromaticContact CD2-CE2 3.67Å; F234-F239 HydrophobicContact CD2-CE2 3.67Å; F234-F239 HydrophobicContact CE2-CD2 4.45Å; F234-F239 HydrophobicContact CE2-CE2 4.24Å; F234-F239 HydrophobicContact CG-CD2 4.12Å; F234-F239 AromaticContact CG-CE2 3.61Å; F234-F239 HydrophobicContact CG-CE2 3.61Å; L236-F239 PolarHBondContact O-N 2.85Å; K237-F239 PolarHBondContact O-N 2.88Å; F239-E241 VanDerWaalsContact C-N 3.31Å; F239-E241 PolarHBondContact O-N 3.43Å; F239-M242 HydrophobicContact CD1-SD 4.37Å; F239-M242 PolarHBondContact O-N 2.95Å; F239-Y243 HydrophobicContact CB-CD2 4.42Å; F239-Y243 HydrophobicContact CB-CE2 4.27Å; F239-Y243 AromaticContact CD1-CE2 3.87Å; F239-Y243 HydrophobicContact CD1-CE2 3.87Å; F239-Y243 WeakPolarHBondContact O-CD2 3.36Å; F239-Y243 PolarHBondContact O-N 3.48Å; F239-Y243 VanDerWaalsContact O-N 3.13Å; F239-L258 HydrophobicContact CB-CD1 4.17Å; F239-F286 WeakPolarHBondContact CD1-O 3.26Å; F239-V287 HydrophobicContact CB-CG2 4.06Å; F239-V287 HydrophobicContact CD1-CG2 4.39Å; F239-V287 HydrophobicContact CD2-CB 4.39Å; F239-V287 HydrophobicContact CD2-CG1 3.8Å; F239-V287 HydrophobicContact CD2-CG2 4.16Å; F239-V287 HydrophobicContact CE2-CG1 3.67Å; F239-V287 HydrophobicContact CG-CB 4.42Å; F239-V287 HydrophobicContact CG-CG1 4.31Å; F239-V287 HydrophobicContact CG-CG2 3.94Å; F239-V287 HydrophobicContact CZ-CG1 4.07Å; F239-I291 HydrophobicContact CE2-CD1 4.34Å; F239-I291 HydrophobicContact CZ-CD1 4Å; F239-I291 HydrophobicContact CZ-CG1 4.13Å; F239-W337 HydrophobicContact CE1-CH2 4.15Å; F239-W337 AromaticContact CE1-CZ2 3.98Å; F239-W337 HydrophobicContact CE1-CZ2 3.98Å; F239-W337 HydrophobicContact CZ-CH2 4.07Å; F239-W337 HydrophobicContact CZ-CZ2 4.15Å; F239-L338 HydrophobicContact CE2-CD1 4.01Å; F239-L338 HydrophobicContact CE2-CD2 4.41Å; F239-L338 HydrophobicContact CZ-CD1 3.91Å |
| 240 | A | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.2 | -41.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L236 K237 Y243 A244 S251 L254 M255 L258 | L236-A240 WeakPolarHBondContact O-CB 3.46Å; L236-A240 PolarHBondContact O-N 3.47Å; K237-A240 PolarHBondContact O-N 2.74Å; A240-Y243 PolarHBondContact O-N 2.93Å; A240-A244 WeakPolarHBondContact O-CA 3.48Å; A240-A244 WeakPolarHBondContact O-CB 3.41Å; A240-A244 PolarHBondContact O-N 3.07Å; A240-S251 WeakPolarHBondContact CB-O 3.48Å; A240-L254 HydrophobicContact CB-CB 4.24Å; A240-L254 HydrophobicContact CB-CG 4.42Å; A240-M255 HydrophobicContact CB-CB 4.42Å; A240-M255 HydrophobicContact CB-CG 3.39Å; A240-L258 HydrophobicContact CB-CD1 4.09Å |
| 241 | E | 91.7 | Very high | 91.7 | Very high | 46 Ų | 46 | 44 Ų | 44 | 22% | 0.215 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.8 | -41.3 | 174.8 | -74.3 | -178 | -166.9 | 0 | 0 | 112.8 | K84 K237 Q238 F239 Y243 | K84-E241 IonicContact NZ-OE2 3.41Å; K84-E241 PolarHBondContact NZ-OE2 3.17Å; K237-E241 VanDerWaalsContact CE-OE1 3.3Å; K237-E241 WeakPolarHBondContact CE-OE1 3.31Å; K237-E241 IonicContact NZ-OE1 3.19Å; K237-E241 PolarHBondContact NZ-OE1 3.31Å; K237-E241 IonicContact NZ-OE2 3.51Å; K237-E241 WeakPolarHBondContact O-CG 3.3Å; K237-E241 PolarHBondContact O-N 3.1Å; Q238-E241 PolarHBondContact O-N 3.45Å; F239-E241 VanDerWaalsContact C-N 3.31Å; F239-E241 PolarHBondContact O-N 3.43Å; E241-Y243 PolarHBondContact O-N 3.08Å |
| 242 | M | 90.8 | Very high | 91.7 | Very high | 87 Ų | 87 | 47 Ų | 47 | 43% | 0.429 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.3 | -29.5 | 176.8 | -70.4 | 176.8 | -161.4 | 0 | 0 | 112.8 | Q238 F239 L338 | Q238-M242 VanDerWaalsContact O-CG 3.3Å; Q238-M242 WeakPolarHBondContact O-CG 3.31Å; Q238-M242 PolarHBondContact O-N 3.35Å; Q238-M242 VanDerWaalsContact O-N 3.15Å; F239-M242 HydrophobicContact CD1-SD 4.37Å; F239-M242 PolarHBondContact O-N 2.95Å; M242-L338 HydrophobicContact CE-CD2 3.86Å |
| 243 | Y | 92.2 | Very high | 91.6 | Very high | 40 Ų | 40 | 53.4 Ų | 53.4 | 16% | 0.157 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -107.7 | -13.6 | -175.6 | -63.9 | -54.8 | 0 | 0 | 0 | 114.5 | F239 A240 E241 E245 K246 F247 F286 | F239-Y243 HydrophobicContact CB-CD2 4.42Å; F239-Y243 HydrophobicContact CB-CE2 4.27Å; F239-Y243 AromaticContact CD1-CE2 3.87Å; F239-Y243 HydrophobicContact CD1-CE2 3.87Å; F239-Y243 WeakPolarHBondContact O-CD2 3.36Å; F239-Y243 PolarHBondContact O-N 3.48Å; F239-Y243 VanDerWaalsContact O-N 3.13Å; A240-Y243 PolarHBondContact O-N 2.93Å; E241-Y243 PolarHBondContact O-N 3.08Å; Y243-E245 VanDerWaalsContact C-N 3.34Å; Y243-E245 PolarHBondContact O-N 3.35Å; Y243-K246 PolarHBondContact O-N 3.43Å; Y243-K246 VanDerWaalsContact O-N 3.09Å; Y243-F247 HydrophobicContact CG-CE2 4.3Å; Y243-F247 VanDerWaalsContact O-CD2 3.3Å; Y243-F247 WeakPolarHBondContact O-CD2 3.43Å; Y243-F247 PolarHBondContact O-N 2.92Å; Y243-F286 HydrophobicContact CD2-CB 4.12Å; Y243-F286 HydrophobicContact CE1-CD1 4.38Å; Y243-F286 HydrophobicContact CE2-CB 3.62Å; Y243-F286 HydrophobicContact CE2-CD1 4.24Å; Y243-F286 HydrophobicContact CE2-CG 4.34Å; Y243-F286 WeakPolarHBondContact CE2-O 3.4Å; Y243-F286 PolarHBondContact OH-O 2.95Å |
| 244 | A | 89.6 | Confident | 91.5 | Very high | 13 Ų | 13 | 53.4 Ų | 53.4 | 11% | 0.107 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54.7 | -48.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112 | A240 K246 F247 G248 I249 S251 | A240-A244 WeakPolarHBondContact O-CA 3.48Å; A240-A244 WeakPolarHBondContact O-CB 3.41Å; A240-A244 PolarHBondContact O-N 3.07Å; A244-K246 PolarHBondContact O-N 3.19Å; A244-F247 PolarHBondContact O-N 3.24Å; A244-G248 WeakPolarHBondContact O-CA 3.4Å; A244-G248 PolarHBondContact O-N 2.86Å; A244-I249 VanDerWaalsContact CA-O 3.29Å; A244-I249 WeakPolarHBondContact CA-O 3.49Å; A244-I249 VanDerWaalsContact CB-O 3.28Å; A244-I249 WeakPolarHBondContact CB-O 3.24Å; A244-I249 PolarHBondContact O-N 2.96Å; A244-I249 VanDerWaalsContact O-N 3.16Å; A244-S251 WeakPolarHBondContact CB-OG 3.2Å |
| 245 | E | 86 | Confident | 91.3 | Very high | 184 Ų | 184 | 53.6 Ų | 53.6 | 86% | 0.86 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -62.7 | -41.4 | 177.8 | -65.6 | -178.7 | 179.9 | 0 | 0 | 111.9 | Y243 F247 G248 | Y243-E245 VanDerWaalsContact C-N 3.34Å; Y243-E245 PolarHBondContact O-N 3.35Å; E245-F247 PolarHBondContact O-N 2.88Å; E245-G248 PolarHBondContact O-N 3.32Å |
| 246 | K | 86.1 | Confident | 91.2 | Very high | 166 Ų | 166 | 59.3 Ų | 59.3 | 72% | 0.722 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -66.7 | -36.2 | -179 | -175.4 | 178.3 | 179.1 | 179.9 | 0 | 112.8 | Y243 A244 | Y243-K246 PolarHBondContact O-N 3.43Å; Y243-K246 VanDerWaalsContact O-N 3.09Å; A244-K246 PolarHBondContact O-N 3.19Å |
| 247 | F | 86.4 | Confident | 91.1 | Very high | 54 Ų | 54 | 59.8 Ų | 59.8 | 24% | 0.237 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -88.8 | -15 | 177.9 | -75.9 | -72.7 | 0 | 0 | 0 | 113.6 | Y243 A244 E245 I249 L254 F264 F286 | Y243-F247 HydrophobicContact CG-CE2 4.3Å; Y243-F247 VanDerWaalsContact O-CD2 3.3Å; Y243-F247 WeakPolarHBondContact O-CD2 3.43Å; Y243-F247 PolarHBondContact O-N 2.92Å; A244-F247 PolarHBondContact O-N 3.24Å; E245-F247 PolarHBondContact O-N 2.88Å; F247-I249 HydrophobicContact CB-CB 4.16Å; F247-I249 HydrophobicContact CB-CD1 3.89Å; F247-I249 HydrophobicContact CB-CG1 3.88Å; F247-I249 PolarHBondContact O-N 3.17Å; F247-L254 HydrophobicContact CD2-CD1 4.31Å; F247-L254 HydrophobicContact CD2-CD2 4.02Å; F247-F264 HydrophobicContact CD1-CE2 4.41Å; F247-F264 HydrophobicContact CE1-CD2 4.3Å; F247-F264 HydrophobicContact CE1-CE1 4.37Å; F247-F264 AromaticContact CE1-CE2 3.56Å; F247-F264 HydrophobicContact CE1-CE2 3.56Å; F247-F264 AromaticContact CE1-CZ 3.58Å; F247-F264 HydrophobicContact CE1-CZ 3.58Å; F247-F264 HydrophobicContact CZ-CE2 4.31Å; F247-F264 HydrophobicContact CZ-CZ 4.19Å; F247-F286 HydrophobicContact CE1-CZ 4.41Å; F247-F286 HydrophobicContact CE2-CD1 4.44Å; F247-F286 HydrophobicContact CE2-CE1 4.01Å; F247-F286 HydrophobicContact CE2-CZ 4.17Å; F247-F286 HydrophobicContact CZ-CD1 4.44Å; F247-F286 AromaticContact CZ-CE1 3.6Å; F247-F286 HydrophobicContact CZ-CE1 3.6Å; F247-F286 HydrophobicContact CZ-CE2 4.22Å; F247-F286 AromaticContact CZ-CZ 3.47Å; F247-F286 HydrophobicContact CZ-CZ 3.47Å; F247-F286 VanDerWaalsContact CZ-CZ 3.47Å |
| 248 | G | 86.6 | Confident | 91.1 | Very high | 71 Ų | 71 | 59.4 Ų | 59.4 | 73% | 0.732 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 30.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A244 E245 | A244-G248 WeakPolarHBondContact O-CA 3.4Å; A244-G248 PolarHBondContact O-N 2.86Å; E245-G248 PolarHBondContact O-N 3.32Å |
| 249 | I | 88.5 | Confident | 91.3 | Very high | 37 Ų | 37 | 59.4 Ų | 59.4 | 19% | 0.19 | 29% | 0.293 | C | S | . | . | trans | -116.6 | 134.2 | -179.4 | -61.1 | 174.2 | 0 | 0 | 0 | 108 | A244 F247 S251 K253 L254 | A244-I249 VanDerWaalsContact CA-O 3.29Å; A244-I249 WeakPolarHBondContact CA-O 3.49Å; A244-I249 VanDerWaalsContact CB-O 3.28Å; A244-I249 WeakPolarHBondContact CB-O 3.24Å; A244-I249 PolarHBondContact O-N 2.96Å; A244-I249 VanDerWaalsContact O-N 3.16Å; F247-I249 HydrophobicContact CB-CB 4.16Å; F247-I249 HydrophobicContact CB-CD1 3.89Å; F247-I249 HydrophobicContact CB-CG1 3.88Å; F247-I249 PolarHBondContact O-N 3.17Å; I249-S251 PolarHBondContact O-N 3.39Å; I249-K253 HydrophobicContact CG2-CB 3.89Å; I249-K253 HydrophobicContact CG2-CD 4.14Å; I249-K253 HydrophobicContact CG2-CG 4.01Å; I249-L254 HydrophobicContact CG2-CB 4.12Å | ||
| 250 | Q | 90.2 | Very high | 91.2 | Very high | 157 Ų | 157 | 60.2 Ų | 60.2 | 73% | 0.734 | 30% | 0.302 | S | S | * | . | trans | -56.1 | 138.2 | 173.5 | -68.6 | 177.8 | -9 | 0 | 0 | 111.3 | E252 K253 L254 | Q250-E252 VanDerWaalsContact C-N 3.28Å; Q250-E252 PolarHBondContact O-N 3.03Å; Q250-K253 PolarHBondContact O-N 3.39Å; Q250-L254 PolarHBondContact O-N 2.99Å | ||
| 251 | S | 90.5 | Very high | 91.2 | Very high | 19 Ų | 19 | 64.9 Ų | 64.9 | 13% | 0.133 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -51.1 | -44.7 | -175.3 | -53 | 0 | 0 | 0 | 0 | 112.8 | Y88 A240 A244 I249 K253 L254 M255 | Y88-S251 WeakPolarHBondContact OH-CB 3.38Å; A240-S251 WeakPolarHBondContact CB-O 3.48Å; A244-S251 WeakPolarHBondContact CB-OG 3.2Å; I249-S251 PolarHBondContact O-N 3.39Å; S251-K253 PolarHBondContact O-N 3.49Å; S251-L254 CarbonylContact O-C 3.47Å; S251-L254 PolarHBondContact O-N 3.38Å; S251-L254 VanDerWaalsContact O-N 3.1Å; S251-M255 WeakPolarHBondContact O-CG 3.45Å; S251-M255 PolarHBondContact O-N 3.45Å |
| 252 | E | 89.4 | Confident | 91.3 | Very high | 74 Ų | 74 | 65.5 Ų | 65.5 | 35% | 0.346 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.3 | -38.1 | -179.3 | -169.2 | 172.5 | -154.5 | 0 | 0 | 113.2 | R90 Q250 | R90-E252 IonicContact CZ-OE1 2.74Å; R90-E252 VanDerWaalsContact CZ-OE1 3.25Å; R90-E252 IonicContact NH1-OE1 2.69Å; R90-E252 PolarHBondContact NH1-OE1 3.35Å; R90-E252 IonicContact NH2-OE1 2.63Å; R90-E252 PolarHBondContact NH2-OE1 3.28Å; Q250-E252 VanDerWaalsContact C-N 3.28Å; Q250-E252 PolarHBondContact O-N 3.03Å |
| 253 | K | 91.6 | Very high | 91.5 | Very high | 135 Ų | 135 | 61.9 Ų | 61.9 | 59% | 0.587 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -71.2 | -35 | 174.6 | -175.4 | 174.3 | -179.8 | 178.5 | 0 | 111.3 | I249 Q250 S251 K256 N257 | I249-K253 HydrophobicContact CG2-CB 3.89Å; I249-K253 HydrophobicContact CG2-CD 4.14Å; I249-K253 HydrophobicContact CG2-CG 4.01Å; Q250-K253 PolarHBondContact O-N 3.39Å; S251-K253 PolarHBondContact O-N 3.49Å; K253-K256 PolarHBondContact O-N 2.97Å; K253-N257 PolarHBondContact O-N 2.92Å |
| 254 | L | 93.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.6 | -36.8 | 177 | -170.7 | 56.7 | 0 | 0 | 0 | 111.7 | A240 F247 I249 Q250 S251 K256 N257 L258 W271 | A240-L254 HydrophobicContact CB-CB 4.24Å; A240-L254 HydrophobicContact CB-CG 4.42Å; F247-L254 HydrophobicContact CD2-CD1 4.31Å; F247-L254 HydrophobicContact CD2-CD2 4.02Å; I249-L254 HydrophobicContact CG2-CB 4.12Å; Q250-L254 PolarHBondContact O-N 2.99Å; S251-L254 CarbonylContact O-C 3.47Å; S251-L254 PolarHBondContact O-N 3.38Å; S251-L254 VanDerWaalsContact O-N 3.1Å; L254-K256 VanDerWaalsContact C-N 3.27Å; L254-K256 PolarHBondContact O-N 2.84Å; L254-N257 HydrophobicContact CD1-CB 4.26Å; L254-N257 CarbonylContact O-C 3.54Å; L254-N257 WeakPolarHBondContact O-CA 3.07Å; L254-N257 WeakPolarHBondContact O-CB 3.39Å; L254-N257 PolarHBondContact O-N 2.81Å; L254-L258 HydrophobicContact CG-CD1 4.44Å; L254-L258 HydrophobicContact CG-CG 4.43Å; L254-L258 WeakPolarHBondContact O-CG 3.43Å; L254-L258 PolarHBondContact O-N 3.2Å; L254-W271 HydrophobicContact CD1-CH2 4.46Å; L254-W271 HydrophobicContact CD1-CZ2 3.75Å |
| 255 | M | 94.5 | Very high | 91.6 | Very high | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.02 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -54.4 | -43.6 | 173 | -69.4 | 172 | 64.5 | 0 | 0 | 111.9 | A219 L236 K237 A240 S251 N257 L258 | A219-M255 WeakPolarHBondContact O-CB 3.35Å; L236-M255 HydrophobicContact CB-CB 4.35Å; L236-M255 HydrophobicContact CB-CE 4.38Å; L236-M255 HydrophobicContact CB-CG 4.22Å; K237-M255 HydrophobicContact CB-CE 4.1Å; K237-M255 HydrophobicContact CB-SD 4.02Å; K237-M255 HydrophobicContact CG-SD 4.47Å; A240-M255 HydrophobicContact CB-CB 4.42Å; A240-M255 HydrophobicContact CB-CG 3.39Å; S251-M255 WeakPolarHBondContact O-CG 3.45Å; S251-M255 PolarHBondContact O-N 3.45Å; M255-N257 VanDerWaalsContact C-N 3.26Å; M255-N257 PolarHBondContact O-N 3.18Å; M255-L258 PolarHBondContact O-N 3.27Å; M255-L258 VanDerWaalsContact O-N 3.08Å |
| 256 | K | 94.1 | Very high | 91.7 | Very high | 124 Ų | 124 | 55 Ų | 55 | 54% | 0.539 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.6 | -30.7 | 174.7 | -63.4 | -177.9 | -179.1 | -175.9 | 0 | 113.5 | A219 K253 L254 | A219-K256 HydrophobicContact CB-CG 4.45Å; K253-K256 PolarHBondContact O-N 2.97Å; L254-K256 VanDerWaalsContact C-N 3.27Å; L254-K256 PolarHBondContact O-N 2.84Å |
| 257 | N | 93.8 | Very high | 91.8 | Very high | 11 Ų | 11 | 54.9 Ų | 54.9 | 6% | 0.059 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -79.5 | -21 | 175.5 | -69.3 | -14.8 | 0 | 0 | 0 | 113 | K253 L254 M255 W259 R262 W271 | K253-N257 PolarHBondContact O-N 2.92Å; L254-N257 HydrophobicContact CD1-CB 4.26Å; L254-N257 CarbonylContact O-C 3.54Å; L254-N257 WeakPolarHBondContact O-CA 3.07Å; L254-N257 WeakPolarHBondContact O-CB 3.39Å; L254-N257 PolarHBondContact O-N 2.81Å; M255-N257 VanDerWaalsContact C-N 3.26Å; M255-N257 PolarHBondContact O-N 3.18Å; N257-W259 VanDerWaalsContact C-N 3.3Å; N257-R262 WeakPolarHBondContact O-CB 3.47Å; N257-R262 PolarHBondContact OD1-NE 3.01Å; N257-R262 VanDerWaalsContact OD1-NE 3.15Å; N257-R262 PolarHBondContact OD1-NH2 3.16Å; N257-W271 HydrophobicContact CB-CD2 3.96Å; N257-W271 HydrophobicContact CB-CE3 3.84Å; N257-W271 HydrophobicContact CB-CH2 3.78Å; N257-W271 HydrophobicContact CB-CZ2 3.9Å; N257-W271 HydrophobicContact CB-CZ3 3.75Å; N257-W271 WeakPolarHBondContact O-CZ3 3.37Å |
| 258 | L | 95.6 | Very high | 92 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -3.4 | -179.6 | -68.4 | 176.3 | 0 | 0 | 0 | 112.9 | L236 F239 A240 L254 M255 W271 F283 F286 V287 | L236-L258 HydrophobicContact CD1-CB 4.17Å; L236-L258 HydrophobicContact CD2-CB 4.15Å; F239-L258 HydrophobicContact CB-CD1 4.17Å; A240-L258 HydrophobicContact CB-CD1 4.09Å; L254-L258 HydrophobicContact CG-CD1 4.44Å; L254-L258 HydrophobicContact CG-CG 4.43Å; L254-L258 WeakPolarHBondContact O-CG 3.43Å; L254-L258 PolarHBondContact O-N 3.2Å; M255-L258 PolarHBondContact O-N 3.27Å; M255-L258 VanDerWaalsContact O-N 3.08Å; L258-W271 HydrophobicContact CD2-CH2 4.39Å; L258-F283 VanDerWaalsContact O-CA 3.32Å; L258-F283 WeakPolarHBondContact O-CA 3.34Å; L258-F283 WeakPolarHBondContact O-CB 3.12Å; L258-F283 WeakPolarHBondContact O-CD2 3.39Å; L258-F283 PolarHBondContact O-N 2.85Å; L258-F286 HydrophobicContact CD2-CB 3.65Å; L258-F286 HydrophobicContact CD2-CD2 3.97Å; L258-F286 HydrophobicContact CD2-CG 4.17Å; L258-V287 HydrophobicContact CD2-CG2 4.48Å |
| 259 | W | 96.3 | Very high | 92 | Very high | 24 Ų | 24 | 60.6 Ų | 60.6 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -126.1 | 154 | -179.5 | -166.3 | -113.8 | 0 | 0 | 0 | 112.6 | F187 F190 L191 V194 P218 A219 F225 L236 N257 R262 F283 | F187-W259 HydrophobicContact CD2-CE3 4.44Å; F187-W259 HydrophobicContact CD2-CH2 4.32Å; F187-W259 AromaticContact CD2-CZ3 3.98Å; F187-W259 HydrophobicContact CD2-CZ3 3.98Å; F187-W259 HydrophobicContact CE2-CD2 4.2Å; F187-W259 AromaticContact CE2-CE3 3.8Å; F187-W259 HydrophobicContact CE2-CE3 3.8Å; F187-W259 AromaticContact CE2-CH2 3.95Å; F187-W259 HydrophobicContact CE2-CH2 3.95Å; F187-W259 HydrophobicContact CE2-CZ2 4.33Å; F187-W259 AromaticContact CE2-CZ3 3.68Å; F187-W259 HydrophobicContact CE2-CZ3 3.68Å; F190-W259 HydrophobicContact CB-CH2 3.91Å; L191-W259 HydrophobicContact CB-CZ2 4.5Å; L191-W259 HydrophobicContact CD1-CZ2 4.1Å; V194-W259 HydrophobicContact CG2-CZ2 4.16Å; P218-W259 HydrophobicContact CB-CD2 3.64Å; P218-W259 HydrophobicContact CB-CE3 3.84Å; P218-W259 HydrophobicContact CB-CG 4.01Å; P218-W259 HydrophobicContact CB-CZ2 4.38Å; P218-W259 HydrophobicContact CB-CZ3 4.29Å; P218-W259 HydrophobicContact CG-CD2 3.79Å; P218-W259 VanDerWaalsContact CG-CE2 3.48Å; P218-W259 HydrophobicContact CG-CE3 4.14Å; P218-W259 HydrophobicContact CG-CG 4.38Å; P218-W259 HydrophobicContact CG-CH2 3.99Å; P218-W259 HydrophobicContact CG-CZ2 3.62Å; P218-W259 HydrophobicContact CG-CZ3 4.22Å; A219-W259 HydrophobicContact CB-CB 4.13Å; F225-W259 HydrophobicContact CE1-CZ3 4.49Å; F225-W259 HydrophobicContact CZ-CH2 4.19Å; F225-W259 AromaticContact CZ-CZ3 3.94Å; F225-W259 HydrophobicContact CZ-CZ3 3.94Å; L236-W259 HydrophobicContact CD1-CB 3.66Å; L236-W259 HydrophobicContact CD1-CE3 4.31Å; L236-W259 HydrophobicContact CD1-CG 4.32Å; N257-W259 VanDerWaalsContact C-N 3.3Å; W259-R262 WeakPolarHBondContact O-CG 3.25Å; W259-F283 AromaticContact CE3-CD2 3.82Å; W259-F283 HydrophobicContact CE3-CD2 3.82Å; W259-F283 HydrophobicContact CE3-CE2 4.05Å; W259-F283 HydrophobicContact CE3-CG 4.36Å; W259-F283 AromaticContact CZ3-CD2 3.96Å; W259-F283 HydrophobicContact CZ3-CD2 3.96Å; W259-F283 AromaticContact CZ3-CE2 3.85Å; W259-F283 HydrophobicContact CZ3-CE2 3.85Å; W259-F283 HydrophobicContact CZ3-CG 4.36Å; W259-F283 HydrophobicContact CZ3-CZ 4.13Å |
| 260 | G | 94.1 | Very high | 92 | Very high | 17 Ų | 17 | 65.9 Ų | 65.9 | 18% | 0.175 | 32% | 0.322 | C | S | . | . | S | Bend | trans | 71.9 | -154.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | R262 R281 | G260-R262 PolarHBondContact O-N 2.93Å; G260-R281 PolarHBondContact O-NH1 2.87Å |
| 261 | D | 93.4 | Very high | 92.1 | Very high | 99 Ų | 99 | 60.6 Ų | 60.6 | 53% | 0.529 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -78.9 | 61.8 | 178.1 | -70 | -28.5 | 0 | 0 | 0 | 111.8 | F263 N273 R281 | D261-F263 HydrophobicContact CB-CE2 3.99Å; D261-N273 WeakPolarHBondContact O-CA 3.45Å; D261-R281 IonicContact OD1-CZ 3.94Å; D261-R281 IonicContact OD1-NH1 3.24Å; D261-R281 PolarHBondContact OD1-NH1 2.78Å; D261-R281 IonicContact OD1-NH2 3.23Å |
| 262 | R | 93.9 | Very high | 92.1 | Very high | 59 Ų | 59 | 60.5 Ų | 60.5 | 22% | 0.223 | 30% | 0.295 | C | S | . | . | trans | -119.9 | 115.8 | 175.5 | -63.8 | -67.4 | -71.3 | 155.8 | -1 | 108.4 | N257 W259 G260 W271 N273 R281 G282 | N257-R262 WeakPolarHBondContact O-CB 3.47Å; N257-R262 PolarHBondContact OD1-NE 3.01Å; N257-R262 VanDerWaalsContact OD1-NE 3.15Å; N257-R262 PolarHBondContact OD1-NH2 3.16Å; W259-R262 WeakPolarHBondContact O-CG 3.25Å; G260-R262 PolarHBondContact O-N 2.93Å; R262-W271 HydrophobicContact CB-CE3 4.41Å; R262-W271 HydrophobicContact CB-CZ3 4.47Å; R262-N273 WeakPolarHBondContact CD-OD1 3.23Å; R262-N273 PolarHBondContact NH1-OD1 2.77Å; R262-R281 CarbonylContact O-C 3.51Å; R262-G282 PolarHBondContact O-N 3.47Å | ||
| 263 | F | 94.7 | Very high | 92.2 | Very high | 11 Ų | 11 | 62 Ų | 62 | 5% | 0.048 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 141.4 | -175.8 | -55.9 | -93.4 | 0 | 0 | 0 | 109.8 | D261 W271 S272 P275 R280 R281 | D261-F263 HydrophobicContact CB-CE2 3.99Å; F263-W271 CarbonylContact O-C 3.35Å; F263-W271 VanDerWaalsContact O-CA 3.27Å; F263-W271 WeakPolarHBondContact O-CA 3.36Å; F263-S272 PolarHBondContact N-O 2.8Å; F263-S272 PolarHBondContact O-N 2.83Å; F263-P275 HydrophobicContact CD1-CB 4.33Å; F263-P275 HydrophobicContact CE1-CB 3.84Å; F263-P275 HydrophobicContact CE2-CB 4.21Å; F263-P275 HydrophobicContact CZ-CB 3.78Å; F263-P275 HydrophobicContact CZ-CG 4.35Å; F263-R280 CarbonylContact C-O 3.55Å; F263-R280 VanDerWaalsContact CA-O 3.32Å; F263-R280 WeakPolarHBondContact CA-O 3.42Å; F263-R281 HydrophobicContact CD1-CB 4.08Å; F263-R281 HydrophobicContact CE1-CB 4.01Å |
| 264 | F | 93.2 | Very high | 91.9 | Very high | 15 Ų | 15 | 58.6 Ų | 58.6 | 7% | 0.066 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 124.5 | 176.8 | -178 | -98.2 | 0 | 0 | 0 | 110.1 | F247 A266 K269 W271 G279 R280 Q285 F286 | F247-F264 HydrophobicContact CD1-CE2 4.41Å; F247-F264 HydrophobicContact CE1-CD2 4.3Å; F247-F264 HydrophobicContact CE1-CE1 4.37Å; F247-F264 AromaticContact CE1-CE2 3.56Å; F247-F264 HydrophobicContact CE1-CE2 3.56Å; F247-F264 AromaticContact CE1-CZ 3.58Å; F247-F264 HydrophobicContact CE1-CZ 3.58Å; F247-F264 HydrophobicContact CZ-CE2 4.31Å; F247-F264 HydrophobicContact CZ-CZ 4.19Å; F264-A266 HydrophobicContact CE1-CB 4.43Å; F264-K269 HydrophobicContact CZ-CB 4.23Å; F264-W271 HydrophobicContact CB-CD2 4.28Å; F264-W271 HydrophobicContact CB-CE3 3.97Å; F264-W271 HydrophobicContact CB-CH2 4.15Å; F264-W271 HydrophobicContact CB-CZ2 4.42Å; F264-W271 HydrophobicContact CB-CZ3 3.9Å; F264-W271 AromaticContact CD2-CD2 3.91Å; F264-W271 HydrophobicContact CD2-CD2 3.91Å; F264-W271 AromaticContact CD2-CE2 3.67Å; F264-W271 HydrophobicContact CD2-CE3 4.46Å; F264-W271 HydrophobicContact CD2-CG 4.2Å; F264-W271 HydrophobicContact CD2-CZ2 4.06Å; F264-W271 AromaticContact CD2-NE1 3.79Å; F264-W271 HydrophobicContact CG-CZ2 4.49Å; F264-G279 VanDerWaalsContact O-CA 3.28Å; F264-G279 WeakPolarHBondContact O-CA 3.32Å; F264-R280 PolarHBondContact N-O 3.49Å; F264-R280 PolarHBondContact O-N 3.49Å; F264-Q285 PolarHBondContact O-OE1 3.37Å; F264-F286 HydrophobicContact CB-CE2 3.65Å; F264-F286 HydrophobicContact CB-CZ 4.13Å; F264-F286 AromaticContact CD1-CE2 3.88Å; F264-F286 HydrophobicContact CD1-CE2 3.88Å; F264-F286 AromaticContact CD1-CZ 3.42Å; F264-F286 HydrophobicContact CD1-CZ 3.42Å; F264-F286 VanDerWaalsContact CD1-CZ 3.42Å; F264-F286 HydrophobicContact CD2-CE2 4.45Å; F264-F286 HydrophobicContact CD2-CZ 4.41Å; F264-F286 AromaticContact CE1-CZ 3.83Å; F264-F286 HydrophobicContact CE1-CZ 3.83Å; F264-F286 AromaticContact CG-CE2 3.73Å; F264-F286 HydrophobicContact CG-CE2 3.73Å; F264-F286 AromaticContact CG-CZ 3.72Å; F264-F286 HydrophobicContact CG-CZ 3.72Å |
| 265 | N | 92.1 | Very high | 91.2 | Very high | 13 Ų | 13 | 62.3 Ų | 62.3 | 7% | 0.07 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 116 | 173.3 | 179.5 | -39.5 | 0 | 0 | 0 | 109.4 | Q267 T268 K269 K270 D277 | N265-Q267 VanDerWaalsContact C-N 3.3Å; N265-Q267 PolarHBondContact O-N 2.93Å; N265-Q267 WeakPolarHBondContact OD1-CA 3.43Å; N265-Q267 WeakPolarHBondContact OD1-CB 3.31Å; N265-Q267 PolarHBondContact OD1-N 3.47Å; N265-Q267 PolarHBondContact OD1-OE1 3.11Å; N265-T268 WeakPolarHBondContact CB-OG1 3.38Å; N265-T268 PolarHBondContact OD1-N 2.75Å; N265-K269 VanDerWaalsContact O-CA 3.23Å; N265-K269 WeakPolarHBondContact O-CA 3.22Å; N265-K269 PolarHBondContact O-N 2.87Å; N265-K270 PolarHBondContact N-O 3.23Å; N265-D277 PolarHBondContact ND2-O 2.97Å |
| 266 | A | 88 | Confident | 90.4 | Very high | 63 Ų | 63 | 69.3 Ų | 69.3 | 52% | 0.521 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -25.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | F264 | F264-A266 HydrophobicContact CE1-CB 4.43Š|
| 267 | Q | 88.1 | Confident | 89.5 | Confident | 164 Ų | 164 | 67.9 Ų | 67.9 | 77% | 0.766 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -46.6 | 178.4 | -59.2 | 124.1 | 13.4 | 0 | 0 | 111 | N265 | N265-Q267 VanDerWaalsContact C-N 3.3Å; N265-Q267 PolarHBondContact O-N 2.93Å; N265-Q267 WeakPolarHBondContact OD1-CA 3.43Å; N265-Q267 WeakPolarHBondContact OD1-CB 3.31Å; N265-Q267 PolarHBondContact OD1-N 3.47Å; N265-Q267 PolarHBondContact OD1-OE1 3.11Å |
| 268 | T | 89 | Confident | 88.8 | Confident | 79 Ų | 79 | 70 Ų | 70 | 49% | 0.485 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -14.1 | -178.5 | 65.8 | 0 | 0 | 0 | 0 | 113.4 | N265 K270 | N265-T268 WeakPolarHBondContact CB-OG1 3.38Å; N265-T268 PolarHBondContact OD1-N 2.75Å; T268-K270 PolarHBondContact O-N 2.87Å; T268-K270 PolarHBondContact OG1-N 2.95Å |
| 269 | K | 86.9 | Confident | 88.4 | Confident | 167 Ų | 167 | 70.5 Ų | 70.5 | 73% | 0.726 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 30.5 | -172.6 | -58 | -177.3 | -179.7 | 178.8 | 0 | 113.5 | F264 N265 | F264-K269 HydrophobicContact CZ-CB 4.23Å; N265-K269 VanDerWaalsContact O-CA 3.23Å; N265-K269 WeakPolarHBondContact O-CA 3.22Å; N265-K269 PolarHBondContact O-N 2.87Å |
| 270 | K | 89.8 | Confident | 88.2 | Confident | 148 Ų | 148 | 75.2 Ų | 75.2 | 64% | 0.643 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 149 | -179.2 | -69.9 | -178.9 | 179.9 | -179 | 0 | 111.6 | N265 T268 | N265-K270 PolarHBondContact N-O 3.23Å; T268-K270 PolarHBondContact O-N 2.87Å; T268-K270 PolarHBondContact OG1-N 2.95Å |
| 271 | W | 90.8 | Very high | 88.3 | Confident | 46 Ų | 46 | 75.2 Ų | 75.2 | 17% | 0.174 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 137.6 | 169.8 | -67.8 | 92.6 | 0 | 0 | 0 | 110.1 | L254 N257 L258 R262 F263 F264 F286 | L254-W271 HydrophobicContact CD1-CH2 4.46Å; L254-W271 HydrophobicContact CD1-CZ2 3.75Å; N257-W271 HydrophobicContact CB-CD2 3.96Å; N257-W271 HydrophobicContact CB-CE3 3.84Å; N257-W271 HydrophobicContact CB-CH2 3.78Å; N257-W271 HydrophobicContact CB-CZ2 3.9Å; N257-W271 HydrophobicContact CB-CZ3 3.75Å; N257-W271 WeakPolarHBondContact O-CZ3 3.37Å; L258-W271 HydrophobicContact CD2-CH2 4.39Å; R262-W271 HydrophobicContact CB-CE3 4.41Å; R262-W271 HydrophobicContact CB-CZ3 4.47Å; F263-W271 CarbonylContact O-C 3.35Å; F263-W271 VanDerWaalsContact O-CA 3.27Å; F263-W271 WeakPolarHBondContact O-CA 3.36Å; F264-W271 HydrophobicContact CB-CD2 4.28Å; F264-W271 HydrophobicContact CB-CE3 3.97Å; F264-W271 HydrophobicContact CB-CH2 4.15Å; F264-W271 HydrophobicContact CB-CZ2 4.42Å; F264-W271 HydrophobicContact CB-CZ3 3.9Å; F264-W271 AromaticContact CD2-CD2 3.91Å; F264-W271 HydrophobicContact CD2-CD2 3.91Å; F264-W271 AromaticContact CD2-CE2 3.67Å; F264-W271 HydrophobicContact CD2-CE3 4.46Å; F264-W271 HydrophobicContact CD2-CG 4.2Å; F264-W271 HydrophobicContact CD2-CZ2 4.06Å; F264-W271 AromaticContact CD2-NE1 3.79Å; F264-W271 HydrophobicContact CG-CZ2 4.49Å; W271-F286 AromaticContact CH2-CD2 3.82Å; W271-F286 HydrophobicContact CH2-CD2 3.82Å; W271-F286 AromaticContact CH2-CE2 3.6Å; W271-F286 HydrophobicContact CH2-CE2 3.6Å; W271-F286 HydrophobicContact CZ2-CD2 4.42Å; W271-F286 AromaticContact CZ2-CE2 3.95Å; W271-F286 HydrophobicContact CZ2-CE2 3.95Å; W271-F286 HydrophobicContact CZ3-CE2 4.42Å |
| 272 | S | 91.8 | Very high | 88.3 | Confident | 17 Ų | 17 | 70.5 Ų | 70.5 | 12% | 0.119 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 163.8 | 174.1 | 69 | 0 | 0 | 0 | 0 | 111.1 | F263 S274 D277 | F263-S272 PolarHBondContact N-O 2.8Å; F263-S272 PolarHBondContact O-N 2.83Å; S272-S274 PolarHBondContact OG-O 3.08Å; S272-S274 VanDerWaalsContact OG-O 3.09Å; S272-D277 WeakPolarHBondContact CB-OD2 3.44Å; S272-D277 PolarHBondContact OG-OD2 3.46Å |
| 273 | N | 90.6 | Very high | 88.4 | Confident | 106 Ų | 106 | 67.7 Ų | 67.7 | 57% | 0.567 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -97.5 | -2.2 | 169.8 | -70.2 | -9.3 | 0 | 0 | 0 | 112.7 | D261 R262 | D261-N273 WeakPolarHBondContact O-CA 3.45Å; R262-N273 WeakPolarHBondContact CD-OD1 3.23Å; R262-N273 PolarHBondContact NH1-OD1 2.77Å |
| 274 | S | 85.7 | Confident | 88.5 | Confident | 62 Ų | 62 | 67.3 Ų | 67.3 | 43% | 0.434 | 36% | 0.363 | S | S | . | . | trans | -113.1 | 128.1 | -174 | -61 | 0 | 0 | 0 | 0 | 109.7 | S272 N276 | S272-S274 PolarHBondContact OG-O 3.08Å; S272-S274 VanDerWaalsContact OG-O 3.09Å; S274-N276 PolarHBondContact O-N 3.26Å | ||
| 275 | P | 79.7 | Confident | 88.6 | Confident | 79 Ų | 79 | 68.5 Ų | 68.5 | 51% | 0.513 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -64.1 | -22.1 | 178.4 | 24.6 | -32.9 | 0 | 0 | 0 | 112.7 | F263 D277 | F263-P275 HydrophobicContact CD1-CB 4.33Å; F263-P275 HydrophobicContact CE1-CB 3.84Å; F263-P275 HydrophobicContact CE2-CB 4.21Å; F263-P275 HydrophobicContact CZ-CB 3.78Å; F263-P275 HydrophobicContact CZ-CG 4.35Å; P275-D277 VanDerWaalsContact C-N 3.29Å; P275-D277 PolarHBondContact O-N 3.3Å |
| 276 | N | 76.7 | Confident | 88.7 | Confident | 151 Ų | 151 | 68.7 Ų | 68.7 | 81% | 0.807 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -73.6 | -10.5 | -173.9 | -63.8 | -17.2 | 0 | 0 | 0 | 115 | S274 G278 | S274-N276 PolarHBondContact O-N 3.26Å; N276-G278 PolarHBondContact O-N 2.95Å |
| 277 | D | 75.3 | Confident | 89.1 | Confident | 93 Ų | 93 | 65.7 Ų | 65.7 | 50% | 0.497 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -76.8 | 16.5 | -179.1 | -72.8 | -23.2 | 0 | 0 | 0 | 113.6 | N265 S272 P275 G279 | N265-D277 PolarHBondContact ND2-O 2.97Å; S272-D277 WeakPolarHBondContact CB-OD2 3.44Å; S272-D277 PolarHBondContact OG-OD2 3.46Å; P275-D277 VanDerWaalsContact C-N 3.29Å; P275-D277 PolarHBondContact O-N 3.3Å; D277-G279 PolarHBondContact O-N 3.38Å |
| 278 | G | 80 | Confident | 89.5 | Confident | 56 Ų | 56 | 57.9 Ų | 57.9 | 58% | 0.577 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 65.2 | 13.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | N276 | N276-G278 PolarHBondContact O-N 2.95Š|
| 279 | G | 86 | Confident | 89.8 | Confident | 12 Ų | 12 | 56.2 Ų | 56.2 | 12% | 0.124 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -85.5 | 155.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | F264 D277 | F264-G279 VanDerWaalsContact O-CA 3.28Å; F264-G279 WeakPolarHBondContact O-CA 3.32Å; D277-G279 PolarHBondContact O-N 3.38Å |
| 280 | R | 92.6 | Very high | 90.2 | Very high | 123 Ų | 123 | 49.5 Ų | 49.5 | 46% | 0.464 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 148.9 | 168.9 | -71.9 | -169.6 | 67.6 | -148 | -7.2 | 110.1 | F263 F264 G282 Q285 D289 | F263-R280 CarbonylContact C-O 3.55Å; F263-R280 VanDerWaalsContact CA-O 3.32Å; F263-R280 WeakPolarHBondContact CA-O 3.42Å; F264-R280 PolarHBondContact N-O 3.49Å; F264-R280 PolarHBondContact O-N 3.49Å; R280-G282 PolarHBondContact O-N 2.97Å; R280-Q285 HydrophobicContact CB-CB 4.34Å; R280-D289 IonicContact CZ-OD1 3.93Å; R280-D289 IonicContact CZ-OD2 3.41Å; R280-D289 IonicContact NH1-OD1 3.73Å; R280-D289 IonicContact NH1-OD2 2.67Å; R280-D289 PolarHBondContact NH1-OD2 3.27Å; R280-D289 IonicContact NH2-OD1 3.21Å; R280-D289 PolarHBondContact NH2-OD1 3.32Å; R280-D289 IonicContact NH2-OD2 2.75Å; R280-D289 PolarHBondContact NH2-OD2 3.4Å |
| 281 | R | 95 | Very high | 90.4 | Very high | 16 Ų | 16 | 42.5 Ų | 42.5 | 6% | 0.06 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 132.7 | 179.4 | -171.2 | 179.7 | -58.9 | -81.7 | 4.1 | 110.4 | E184 F187 G260 D261 R262 F263 F283 C284 Q285 | E184-R281 IonicContact OE1-CZ 3.65Å; E184-R281 VanDerWaalsContact OE1-CZ 3.24Å; E184-R281 IonicContact OE1-NE 2.77Å; E184-R281 PolarHBondContact OE1-NE 2.98Å; E184-R281 IonicContact OE1-NH2 3.63Å; E184-R281 PolarHBondContact OE1-NH2 3.26Å; E184-R281 IonicContact OE2-NE 3.57Å; E184-R281 PolarHBondContact OE2-NE 3Å; F187-R281 VanDerWaalsContact CE1-CZ 3.46Å; G260-R281 PolarHBondContact O-NH1 2.87Å; D261-R281 IonicContact OD1-CZ 3.94Å; D261-R281 IonicContact OD1-NH1 3.24Å; D261-R281 PolarHBondContact OD1-NH1 2.78Å; D261-R281 IonicContact OD1-NH2 3.23Å; R262-R281 CarbonylContact O-C 3.51Å; F263-R281 HydrophobicContact CD1-CB 4.08Å; F263-R281 HydrophobicContact CE1-CB 4.01Å; R281-F283 VanDerWaalsContact C-N 3.34Å; R281-F283 PolarHBondContact O-N 3.49Å; R281-C284 HydrophobicContact CB-CB 4.23Å; R281-C284 PolarHBondContact O-N 2.98Å; R281-C284 VanDerWaalsContact O-N 3.14Å; R281-Q285 WeakPolarHBondContact O-CB 3.24Å; R281-Q285 PolarHBondContact O-N 2.91Å |
| 282 | G | 94.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.4 | -45.2 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | R262 R280 Q285 F286 | R262-G282 PolarHBondContact O-N 3.47Å; R280-G282 PolarHBondContact O-N 2.97Å; G282-Q285 PolarHBondContact O-N 2.88Å; G282-F286 WeakPolarHBondContact O-CB 3.11Å; G282-F286 WeakPolarHBondContact O-CD2 3.4Å; G282-F286 PolarHBondContact O-N 3.35Å |
| 283 | F | 96.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.4 | -52.5 | 174.6 | -167.7 | -103.6 | 0 | 0 | 0 | 111.6 | F187 F190 F234 L236 L258 W259 R281 Q285 V287 L288 | F187-F283 HydrophobicContact CB-CD1 4.13Å; F187-F283 HydrophobicContact CD2-CB 3.78Å; F187-F283 AromaticContact CD2-CD1 3.48Å; F187-F283 HydrophobicContact CD2-CD1 3.48Å; F187-F283 VanDerWaalsContact CD2-CD1 3.48Å; F187-F283 HydrophobicContact CD2-CE1 4.18Å; F187-F283 AromaticContact CD2-CG 3.74Å; F187-F283 HydrophobicContact CD2-CG 3.74Å; F187-F283 HydrophobicContact CE2-CB 4.02Å; F187-F283 HydrophobicContact CE2-CD1 4.39Å; F187-F283 HydrophobicContact CE2-CG 4.23Å; F187-F283 HydrophobicContact CG-CD1 4.24Å; F190-F283 AromaticContact CD2-CE1 3.67Å; F190-F283 HydrophobicContact CD2-CE1 3.67Å; F190-F283 AromaticContact CD2-CZ 3.78Å; F190-F283 HydrophobicContact CD2-CZ 3.78Å; F190-F283 AromaticContact CE2-CE1 3.84Å; F190-F283 HydrophobicContact CE2-CE1 3.84Å; F190-F283 AromaticContact CE2-CZ 3.9Å; F190-F283 HydrophobicContact CE2-CZ 3.9Å; F234-F283 HydrophobicContact CE2-CE2 4.27Å; F234-F283 HydrophobicContact CE2-CZ 4.34Å; F234-F283 HydrophobicContact CZ-CZ 4.32Å; L236-F283 HydrophobicContact CD2-CD2 3.74Å; L236-F283 HydrophobicContact CD2-CE2 3.66Å; L258-F283 VanDerWaalsContact O-CA 3.32Å; L258-F283 WeakPolarHBondContact O-CA 3.34Å; L258-F283 WeakPolarHBondContact O-CB 3.12Å; L258-F283 WeakPolarHBondContact O-CD2 3.39Å; L258-F283 PolarHBondContact O-N 2.85Å; W259-F283 AromaticContact CE3-CD2 3.82Å; W259-F283 HydrophobicContact CE3-CD2 3.82Å; W259-F283 HydrophobicContact CE3-CE2 4.05Å; W259-F283 HydrophobicContact CE3-CG 4.36Å; W259-F283 AromaticContact CZ3-CD2 3.96Å; W259-F283 HydrophobicContact CZ3-CD2 3.96Å; W259-F283 AromaticContact CZ3-CE2 3.85Å; W259-F283 HydrophobicContact CZ3-CE2 3.85Å; W259-F283 HydrophobicContact CZ3-CG 4.36Å; W259-F283 HydrophobicContact CZ3-CZ 4.13Å; R281-F283 VanDerWaalsContact C-N 3.34Å; R281-F283 PolarHBondContact O-N 3.49Å; F283-Q285 PolarHBondContact O-N 3.48Å; F283-V287 HydrophobicContact CD2-CB 4.12Å; F283-V287 HydrophobicContact CD2-CG1 4.35Å; F283-V287 HydrophobicContact CD2-CG2 4.04Å; F283-V287 HydrophobicContact CE2-CB 4.2Å; F283-V287 HydrophobicContact CE2-CG1 3.91Å; F283-V287 HydrophobicContact CE2-CG2 4.34Å; F283-V287 HydrophobicContact CG-CB 4.47Å; F283-V287 HydrophobicContact CZ-CG1 4.15Å; F283-V287 WeakPolarHBondContact O-CA 3.47Å; F283-V287 WeakPolarHBondContact O-CB 3.41Å; F283-V287 PolarHBondContact O-N 3.32Å; F283-L288 HydrophobicContact CD1-CD1 3.7Å; F283-L288 HydrophobicContact CD1-CD2 4.38Å; F283-L288 HydrophobicContact CD1-CG 3.69Å; F283-L288 HydrophobicContact CE1-CD1 3.61Å; F283-L288 HydrophobicContact CE1-CD2 3.65Å; F283-L288 HydrophobicContact CE1-CG 3.47Å; F283-L288 VanDerWaalsContact CE1-CG 3.47Å; F283-L288 HydrophobicContact CZ-CD2 4.21Å; F283-L288 HydrophobicContact CZ-CG 4.37Å; F283-L288 PolarHBondContact O-N 2.86Å; F283-L288 VanDerWaalsContact O-N 3.08Å |
| 284 | C | 96.2 | Very high | 90.9 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -62.1 | -47 | -178.1 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | P183 R281 L288 D289 | P183-C284 HydrophobicContact CB-CB 3.99Å; P183-C284 PolarHBondContact O-SG 3.16Å; R281-C284 HydrophobicContact CB-CB 4.23Å; R281-C284 PolarHBondContact O-N 2.98Å; R281-C284 VanDerWaalsContact O-N 3.14Å; C284-L288 PolarHBondContact O-N 3.38Å; C284-D289 WeakPolarHBondContact O-CB 3.46Å; C284-D289 PolarHBondContact O-N 2.91Å |
| 285 | Q | 94.7 | Very high | 91.2 | Very high | 41 Ų | 41 | 37.8 Ų | 37.8 | 19% | 0.192 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -71 | -40.5 | -175.2 | -178.9 | 173.8 | -3.6 | 0 | 0 | 113.8 | F264 R280 R281 G282 F283 | F264-Q285 PolarHBondContact O-OE1 3.37Å; R280-Q285 HydrophobicContact CB-CB 4.34Å; R281-Q285 WeakPolarHBondContact O-CB 3.24Å; R281-Q285 PolarHBondContact O-N 2.91Å; G282-Q285 PolarHBondContact O-N 2.88Å; F283-Q285 PolarHBondContact O-N 3.48Å |
| 286 | F | 94.8 | Very high | 91.8 | Very high | 16 Ų | 16 | 40.3 Ų | 40.3 | 7% | 0.07 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -102.8 | -21.8 | -170.2 | -65 | -64.1 | 0 | 0 | 0 | 113.6 | F239 Y243 F247 L258 F264 W271 G282 P290 | F239-F286 WeakPolarHBondContact CD1-O 3.26Å; Y243-F286 HydrophobicContact CD2-CB 4.12Å; Y243-F286 HydrophobicContact CE1-CD1 4.38Å; Y243-F286 HydrophobicContact CE2-CB 3.62Å; Y243-F286 HydrophobicContact CE2-CD1 4.24Å; Y243-F286 HydrophobicContact CE2-CG 4.34Å; Y243-F286 WeakPolarHBondContact CE2-O 3.4Å; Y243-F286 PolarHBondContact OH-O 2.95Å; F247-F286 HydrophobicContact CE1-CZ 4.41Å; F247-F286 HydrophobicContact CE2-CD1 4.44Å; F247-F286 HydrophobicContact CE2-CE1 4.01Å; F247-F286 HydrophobicContact CE2-CZ 4.17Å; F247-F286 HydrophobicContact CZ-CD1 4.44Å; F247-F286 AromaticContact CZ-CE1 3.6Å; F247-F286 HydrophobicContact CZ-CE1 3.6Å; F247-F286 HydrophobicContact CZ-CE2 4.22Å; F247-F286 AromaticContact CZ-CZ 3.47Å; F247-F286 HydrophobicContact CZ-CZ 3.47Å; F247-F286 VanDerWaalsContact CZ-CZ 3.47Å; L258-F286 HydrophobicContact CD2-CB 3.65Å; L258-F286 HydrophobicContact CD2-CD2 3.97Å; L258-F286 HydrophobicContact CD2-CG 4.17Å; F264-F286 HydrophobicContact CB-CE2 3.65Å; F264-F286 HydrophobicContact CB-CZ 4.13Å; F264-F286 AromaticContact CD1-CE2 3.88Å; F264-F286 HydrophobicContact CD1-CE2 3.88Å; F264-F286 AromaticContact CD1-CZ 3.42Å; F264-F286 HydrophobicContact CD1-CZ 3.42Å; F264-F286 VanDerWaalsContact CD1-CZ 3.42Å; F264-F286 HydrophobicContact CD2-CE2 4.45Å; F264-F286 HydrophobicContact CD2-CZ 4.41Å; F264-F286 AromaticContact CE1-CZ 3.83Å; F264-F286 HydrophobicContact CE1-CZ 3.83Å; F264-F286 AromaticContact CG-CE2 3.73Å; F264-F286 HydrophobicContact CG-CE2 3.73Å; F264-F286 AromaticContact CG-CZ 3.72Å; F264-F286 HydrophobicContact CG-CZ 3.72Å; W271-F286 AromaticContact CH2-CD2 3.82Å; W271-F286 HydrophobicContact CH2-CD2 3.82Å; W271-F286 AromaticContact CH2-CE2 3.6Å; W271-F286 HydrophobicContact CH2-CE2 3.6Å; W271-F286 HydrophobicContact CZ2-CD2 4.42Å; W271-F286 AromaticContact CZ2-CE2 3.95Å; W271-F286 HydrophobicContact CZ2-CE2 3.95Å; W271-F286 HydrophobicContact CZ3-CE2 4.42Å; G282-F286 WeakPolarHBondContact O-CB 3.11Å; G282-F286 WeakPolarHBondContact O-CD2 3.4Å; G282-F286 PolarHBondContact O-N 3.35Å; F286-P290 WeakPolarHBondContact O-CG 3.28Å |
| 287 | V | 96.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | I | π-helix | trans | -109.1 | -60.7 | -177.7 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | F234 L236 F239 L258 F283 P290 I291 | F234-V287 HydrophobicContact CD2-CG1 4Å; F234-V287 HydrophobicContact CE1-CG1 4.42Å; F234-V287 HydrophobicContact CE2-CG1 3.28Å; F234-V287 HydrophobicContact CZ-CG1 3.53Å; L236-V287 HydrophobicContact CD2-CG2 4.13Å; F239-V287 HydrophobicContact CB-CG2 4.06Å; F239-V287 HydrophobicContact CD1-CG2 4.39Å; F239-V287 HydrophobicContact CD2-CB 4.39Å; F239-V287 HydrophobicContact CD2-CG1 3.8Å; F239-V287 HydrophobicContact CD2-CG2 4.16Å; F239-V287 HydrophobicContact CE2-CG1 3.67Å; F239-V287 HydrophobicContact CG-CB 4.42Å; F239-V287 HydrophobicContact CG-CG1 4.31Å; F239-V287 HydrophobicContact CG-CG2 3.94Å; F239-V287 HydrophobicContact CZ-CG1 4.07Å; L258-V287 HydrophobicContact CD2-CG2 4.48Å; F283-V287 HydrophobicContact CD2-CB 4.12Å; F283-V287 HydrophobicContact CD2-CG1 4.35Å; F283-V287 HydrophobicContact CD2-CG2 4.04Å; F283-V287 HydrophobicContact CE2-CB 4.2Å; F283-V287 HydrophobicContact CE2-CG1 3.91Å; F283-V287 HydrophobicContact CE2-CG2 4.34Å; F283-V287 HydrophobicContact CG-CB 4.47Å; F283-V287 HydrophobicContact CZ-CG1 4.15Å; F283-V287 WeakPolarHBondContact O-CA 3.47Å; F283-V287 WeakPolarHBondContact O-CB 3.41Å; F283-V287 PolarHBondContact O-N 3.32Å; V287-P290 WeakPolarHBondContact O-CD 3.2Å; V287-I291 HydrophobicContact CG1-CD1 4.33Å; V287-I291 WeakPolarHBondContact O-CD1 3.45Å; V287-I291 WeakPolarHBondContact O-CG1 3.25Å |
| 288 | L | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -72.2 | -48.9 | -174.1 | -63.9 | -177.5 | 0 | 0 | 0 | 112.7 | M172 P183 L186 F190 F283 C284 I291 F292 | M172-L288 HydrophobicContact CE-CD2 3.47Å; M172-L288 VanDerWaalsContact CE-CD2 3.47Å; P183-L288 HydrophobicContact CB-CB 4.05Å; P183-L288 HydrophobicContact CB-CD1 3.91Å; P183-L288 WeakPolarHBondContact O-CD1 3.34Å; L186-L288 HydrophobicContact CB-CD1 4.33Å; L186-L288 HydrophobicContact CD2-CD1 4.36Å; L186-L288 HydrophobicContact CD2-CD2 4.08Å; L186-L288 HydrophobicContact CG-CD1 4.47Å; F190-L288 HydrophobicContact CE2-CD2 4.31Å; F283-L288 HydrophobicContact CD1-CD1 3.7Å; F283-L288 HydrophobicContact CD1-CD2 4.38Å; F283-L288 HydrophobicContact CD1-CG 3.69Å; F283-L288 HydrophobicContact CE1-CD1 3.61Å; F283-L288 HydrophobicContact CE1-CD2 3.65Å; F283-L288 HydrophobicContact CE1-CG 3.47Å; F283-L288 VanDerWaalsContact CE1-CG 3.47Å; F283-L288 HydrophobicContact CZ-CD2 4.21Å; F283-L288 HydrophobicContact CZ-CG 4.37Å; F283-L288 PolarHBondContact O-N 2.86Å; F283-L288 VanDerWaalsContact O-N 3.08Å; C284-L288 PolarHBondContact O-N 3.38Å; L288-I291 CarbonylContact O-C 3.51Å; L288-I291 WeakPolarHBondContact O-CA 3.49Å; L288-I291 WeakPolarHBondContact O-CB 3.31Å; L288-I291 PolarHBondContact O-N 2.89Å; L288-F292 HydrophobicContact CB-CD2 4.03Å; L288-F292 HydrophobicContact CB-CE2 4.05Å; L288-F292 HydrophobicContact CD2-CE2 4.43Å; L288-F292 VanDerWaalsContact O-CD2 3.25Å; L288-F292 WeakPolarHBondContact O-CD2 3.29Å; L288-F292 PolarHBondContact O-N 2.71Å |
| 289 | D | 95.1 | Very high | 93.6 | Very high | 44 Ų | 44 | 29.8 Ų | 29.8 | 24% | 0.235 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -52.7 | -45.7 | -177.3 | -80.3 | -3.4 | 0 | 0 | 0 | 112.6 | R280 C284 F292 K293 | R280-D289 IonicContact CZ-OD1 3.93Å; R280-D289 IonicContact CZ-OD2 3.41Å; R280-D289 IonicContact NH1-OD1 3.73Å; R280-D289 IonicContact NH1-OD2 2.67Å; R280-D289 PolarHBondContact NH1-OD2 3.27Å; R280-D289 IonicContact NH2-OD1 3.21Å; R280-D289 PolarHBondContact NH2-OD1 3.32Å; R280-D289 IonicContact NH2-OD2 2.75Å; R280-D289 PolarHBondContact NH2-OD2 3.4Å; C284-D289 WeakPolarHBondContact O-CB 3.46Å; C284-D289 PolarHBondContact O-N 2.91Å; D289-F292 PolarHBondContact O-N 2.71Å; D289-K293 VanDerWaalsContact O-CB 3.3Å; D289-K293 WeakPolarHBondContact O-CB 3.37Å; D289-K293 PolarHBondContact O-N 2.91Å |
| 290 | P | 94.7 | Very high | 93.6 | Very high | 27 Ų | 27 | 31.4 Ų | 31.4 | 18% | 0.175 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.7 | -44.6 | 170.9 | -28.7 | 37.2 | 0 | 0 | 0 | 114.3 | F286 V287 K293 V294 W337 | F286-P290 WeakPolarHBondContact O-CG 3.28Å; V287-P290 WeakPolarHBondContact O-CD 3.2Å; P290-K293 WeakPolarHBondContact O-CB 3.2Å; P290-K293 PolarHBondContact O-N 3.1Å; P290-V294 WeakPolarHBondContact O-CG2 3.26Å; P290-V294 PolarHBondContact O-N 3.28Å; P290-V294 VanDerWaalsContact O-N 3.1Å; P290-W337 HydrophobicContact CB-CH2 3.85Å; P290-W337 HydrophobicContact CB-CZ2 4.4Å |
| 291 | I | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.5 | -49.5 | 178.3 | -65.7 | 168.3 | 0 | 0 | 0 | 110.2 | M172 L176 W232 F234 F239 V287 L288 K293 V294 F295 M334 W337 | M172-I291 HydrophobicContact CE-CD1 4.32Å; L176-I291 HydrophobicContact CD1-CG2 3.94Å; W232-I291 HydrophobicContact CH2-CG2 4.06Å; W232-I291 HydrophobicContact CZ3-CD1 4.17Å; W232-I291 HydrophobicContact CZ3-CG2 4.45Å; F234-I291 HydrophobicContact CD1-CD1 3.99Å; F234-I291 HydrophobicContact CE1-CD1 3.47Å; F234-I291 VanDerWaalsContact CE1-CD1 3.47Å; F234-I291 HydrophobicContact CZ-CD1 4.01Å; F239-I291 HydrophobicContact CE2-CD1 4.34Å; F239-I291 HydrophobicContact CZ-CD1 4Å; F239-I291 HydrophobicContact CZ-CG1 4.13Å; V287-I291 HydrophobicContact CG1-CD1 4.33Å; V287-I291 WeakPolarHBondContact O-CD1 3.45Å; V287-I291 WeakPolarHBondContact O-CG1 3.25Å; L288-I291 CarbonylContact O-C 3.51Å; L288-I291 WeakPolarHBondContact O-CA 3.49Å; L288-I291 WeakPolarHBondContact O-CB 3.31Å; L288-I291 PolarHBondContact O-N 2.89Å; I291-K293 PolarHBondContact O-N 2.77Å; I291-V294 WeakPolarHBondContact O-CB 3.27Å; I291-V294 PolarHBondContact O-N 2.87Å; I291-V294 VanDerWaalsContact O-N 3.07Å; I291-F295 HydrophobicContact CG2-CD2 3.99Å; I291-F295 HydrophobicContact CG2-CE2 3.88Å; I291-F295 VanDerWaalsContact O-CD2 3.29Å; I291-F295 WeakPolarHBondContact O-CD2 3.34Å; I291-F295 PolarHBondContact O-N 2.78Å; I291-M334 HydrophobicContact CG2-CE 4.33Å; I291-W337 HydrophobicContact CG1-CH2 4.08Å; I291-W337 HydrophobicContact CG1-CZ3 4Å |
| 292 | F | 94.7 | Very high | 92.3 | Very high | 20 Ų | 20 | 34.6 Ų | 34.6 | 9% | 0.088 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.1 | -38.5 | 176.7 | -87.8 | -107.2 | 0 | 0 | 0 | 111.8 | L176 L181 P183 L186 L288 D289 F295 K296 | L176-F292 HydrophobicContact CD2-CD1 4.34Å; L176-F292 HydrophobicContact CD2-CD2 3.73Å; L176-F292 HydrophobicContact CD2-CE1 3.89Å; L176-F292 HydrophobicContact CD2-CE2 3.23Å; L176-F292 HydrophobicContact CD2-CG 4.29Å; L176-F292 HydrophobicContact CD2-CZ 3.32Å; L181-F292 WeakPolarHBondContact O-CE1 3.34Å; L181-F292 WeakPolarHBondContact O-CZ 3.39Å; P183-F292 HydrophobicContact CG-CD1 4.38Å; P183-F292 HydrophobicContact CG-CD2 4.32Å; P183-F292 HydrophobicContact CG-CE1 4.24Å; P183-F292 HydrophobicContact CG-CE2 4.14Å; P183-F292 HydrophobicContact CG-CG 4.4Å; P183-F292 HydrophobicContact CG-CZ 4.09Å; L186-F292 HydrophobicContact CD2-CE2 3.99Å; L186-F292 HydrophobicContact CD2-CZ 4.19Å; L288-F292 HydrophobicContact CB-CD2 4.03Å; L288-F292 HydrophobicContact CB-CE2 4.05Å; L288-F292 HydrophobicContact CD2-CE2 4.43Å; L288-F292 VanDerWaalsContact O-CD2 3.25Å; L288-F292 WeakPolarHBondContact O-CD2 3.29Å; L288-F292 PolarHBondContact O-N 2.71Å; D289-F292 PolarHBondContact O-N 2.71Å; F292-F295 PolarHBondContact O-N 3.03Å; F292-K296 VanDerWaalsContact O-CB 3.32Å; F292-K296 WeakPolarHBondContact O-CB 3.5Å; F292-K296 VanDerWaalsContact O-CG 3.29Å; F292-K296 WeakPolarHBondContact O-CG 3.35Å; F292-K296 PolarHBondContact O-N 3.33Å |
| 293 | K | 93.7 | Very high | 91.6 | Very high | 102 Ų | 102 | 41.5 Ų | 41.5 | 44% | 0.443 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.9 | -44.5 | 175.7 | -175.5 | 174.3 | -177.9 | 171.5 | 0 | 111.4 | D289 P290 I291 K296 T297 L309 | D289-K293 VanDerWaalsContact O-CB 3.3Å; D289-K293 WeakPolarHBondContact O-CB 3.37Å; D289-K293 PolarHBondContact O-N 2.91Å; P290-K293 WeakPolarHBondContact O-CB 3.2Å; P290-K293 PolarHBondContact O-N 3.1Å; I291-K293 PolarHBondContact O-N 2.77Å; K293-K296 PolarHBondContact O-N 2.81Å; K293-T297 WeakPolarHBondContact O-CB 3.09Å; K293-T297 PolarHBondContact O-N 2.93Å; K293-T297 PolarHBondContact O-OG1 3.31Å; K293-L309 HydrophobicContact CD-CD1 4.46Å; K293-L309 HydrophobicContact CG-CD1 4.4Å |
| 294 | V | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.7 | -49.5 | 174.9 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | P290 I291 K296 T297 V298 L309 L313 L330 I333 M334 W337 | P290-V294 WeakPolarHBondContact O-CG2 3.26Å; P290-V294 PolarHBondContact O-N 3.28Å; P290-V294 VanDerWaalsContact O-N 3.1Å; I291-V294 WeakPolarHBondContact O-CB 3.27Å; I291-V294 PolarHBondContact O-N 2.87Å; I291-V294 VanDerWaalsContact O-N 3.07Å; V294-K296 PolarHBondContact O-N 3.37Å; V294-T297 PolarHBondContact O-N 2.9Å; V294-V298 HydrophobicContact CG1-CG2 4.27Å; V294-V298 WeakPolarHBondContact O-CB 3.48Å; V294-V298 VanDerWaalsContact O-CG2 3.24Å; V294-V298 WeakPolarHBondContact O-CG2 3.41Å; V294-V298 PolarHBondContact O-N 3.39Å; V294-L309 HydrophobicContact CB-CD2 4.42Å; V294-L309 HydrophobicContact CG1-CD2 4.49Å; V294-L309 HydrophobicContact CG2-CD1 4.22Å; V294-L309 HydrophobicContact CG2-CD2 4.14Å; V294-L309 HydrophobicContact CG2-CG 4.49Å; V294-L313 HydrophobicContact CG2-CD1 3.56Å; V294-L330 HydrophobicContact CG1-CD1 3.86Å; V294-I333 HydrophobicContact CG1-CG2 3.97Å; V294-M334 HydrophobicContact CB-SD 4.3Å; V294-M334 HydrophobicContact CG1-SD 3.82Å; V294-W337 HydrophobicContact CG2-CE3 4.25Å; V294-W337 HydrophobicContact CG2-CZ3 3.9Å |
| 295 | F | 93 | Very high | 90.6 | Very high | 11 Ų | 11 | 50.6 Ų | 50.6 | 5% | 0.048 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.4 | -47.8 | 179.6 | -84 | -118.1 | 0 | 0 | 0 | 111.7 | L176 L177 W232 I291 F292 M299 L330 M334 | L176-F295 HydrophobicContact CB-CD1 3.81Å; L176-F295 HydrophobicContact CB-CE1 3.76Å; L176-F295 HydrophobicContact CD1-CD1 4Å; L176-F295 HydrophobicContact CD1-CD2 4.2Å; L176-F295 HydrophobicContact CD1-CE1 3.59Å; L176-F295 HydrophobicContact CD1-CE2 3.81Å; L176-F295 HydrophobicContact CD1-CG 4.3Å; L176-F295 HydrophobicContact CD1-CZ 3.49Å; L176-F295 VanDerWaalsContact CD1-CZ 3.49Å; L176-F295 HydrophobicContact CG-CE1 4.34Å; L177-F295 HydrophobicContact CD1-CE1 4.2Å; L177-F295 HydrophobicContact CD2-CD1 3.66Å; L177-F295 HydrophobicContact CD2-CE1 4.05Å; L177-F295 HydrophobicContact CG-CD1 3.98Å; L177-F295 HydrophobicContact CG-CE1 3.88Å; W232-F295 HydrophobicContact CZ2-CE2 4.1Å; W232-F295 AromaticContact CZ2-CZ 3.79Å; W232-F295 HydrophobicContact CZ2-CZ 3.79Å; I291-F295 HydrophobicContact CG2-CD2 3.99Å; I291-F295 HydrophobicContact CG2-CE2 3.88Å; I291-F295 VanDerWaalsContact O-CD2 3.29Å; I291-F295 WeakPolarHBondContact O-CD2 3.34Å; I291-F295 PolarHBondContact O-N 2.78Å; F292-F295 PolarHBondContact O-N 3.03Å; F295-M299 WeakPolarHBondContact O-CB 3.25Å; F295-M299 VanDerWaalsContact O-CG 3.29Å; F295-M299 WeakPolarHBondContact O-CG 3.2Å; F295-M299 PolarHBondContact O-N 2.57Å; F295-L330 HydrophobicContact CD1-CD2 3.78Å; F295-L330 HydrophobicContact CD2-CD1 3.85Å; F295-L330 HydrophobicContact CD2-CD2 4.43Å; F295-L330 HydrophobicContact CE1-CD2 3.69Å; F295-L330 HydrophobicContact CE2-CD1 4.03Å; F295-L330 HydrophobicContact CE2-CD2 4.36Å; F295-L330 HydrophobicContact CG-CD1 4.14Å; F295-L330 HydrophobicContact CG-CD2 4.16Å; F295-L330 HydrophobicContact CZ-CD1 4.46Å; F295-L330 HydrophobicContact CZ-CD2 3.99Å; F295-L330 HydrophobicContact CZ-CG 4.48Å; F295-M334 HydrophobicContact CE2-CE 4.16Å; F295-M334 HydrophobicContact CE2-CG 4.26Å; F295-M334 HydrophobicContact CE2-SD 4.14Å |
| 296 | K | 91.4 | Very high | 90.2 | Very high | 132 Ų | 132 | 49.5 Ų | 49.5 | 57% | 0.574 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -66.7 | -37.3 | -179 | -74.3 | 178.6 | -179.8 | -179.6 | 0 | 113.6 | F292 K293 V294 G300 R302 | F292-K296 VanDerWaalsContact O-CB 3.32Å; F292-K296 WeakPolarHBondContact O-CB 3.5Å; F292-K296 VanDerWaalsContact O-CG 3.29Å; F292-K296 WeakPolarHBondContact O-CG 3.35Å; F292-K296 PolarHBondContact O-N 3.33Å; K293-K296 PolarHBondContact O-N 2.81Å; V294-K296 PolarHBondContact O-N 3.37Å; K296-G300 PolarHBondContact O-N 2.91Å; K296-R302 PolarHBondContact O-NH2 3.05Å |
| 297 | T | 91.3 | Very high | 89.8 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -72.1 | -46 | 178.5 | -68.6 | 0 | 0 | 0 | 0 | 110.7 | K293 V294 R302 E305 V306 L309 | K293-T297 WeakPolarHBondContact O-CB 3.09Å; K293-T297 PolarHBondContact O-N 2.93Å; K293-T297 PolarHBondContact O-OG1 3.31Å; V294-T297 PolarHBondContact O-N 2.9Å; T297-R302 HydrophobicContact CG2-CB 4.5Å; T297-R302 PolarHBondContact O-N 3.29Å; T297-E305 HydrophobicContact CG2-CB 3.6Å; T297-E305 PolarHBondContact OG1-OE2 3.49Å; T297-V306 HydrophobicContact CG2-CG2 3.99Å; T297-L309 HydrophobicContact CG2-CD2 3.98Å |
| 298 | V | 90.8 | Very high | 89.6 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -73.1 | -46.8 | -177.2 | 178.2 | 0 | 0 | 0 | 0 | 112 | V294 G300 M301 L329 L330 I333 | V294-V298 HydrophobicContact CG1-CG2 4.27Å; V294-V298 WeakPolarHBondContact O-CB 3.48Å; V294-V298 VanDerWaalsContact O-CG2 3.24Å; V294-V298 WeakPolarHBondContact O-CG2 3.41Å; V294-V298 PolarHBondContact O-N 3.39Å; V298-G300 VanDerWaalsContact C-N 3.3Å; V298-G300 PolarHBondContact O-N 2.88Å; V298-M301 PolarHBondContact O-N 2.82Å; V298-L329 HydrophobicContact CG1-CB 4.1Å; V298-L329 HydrophobicContact CG1-CD2 4.06Å; V298-L329 HydrophobicContact CG1-CG 4.05Å; V298-L330 HydrophobicContact CB-CD1 4.3Å; V298-L330 HydrophobicContact CG1-CB 3.86Å; V298-L330 HydrophobicContact CG1-CD1 4.48Å; V298-L330 HydrophobicContact CG2-CD1 4.5Å; V298-I333 HydrophobicContact CG2-CD1 3.67Å |
| 299 | M | 88.4 | Confident | 89.3 | Confident | 73 Ų | 73 | 53.8 Ų | 53.8 | 36% | 0.36 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -73 | -23.1 | -179.7 | -64.7 | -61.8 | -60.5 | 0 | 0 | 112.9 | L177 F295 M301 K327 L330 | L177-M299 HydrophobicContact CD2-CE 4.28Å; L177-M299 HydrophobicContact CD2-CG 3.87Å; L177-M299 HydrophobicContact CD2-SD 4.27Å; F295-M299 WeakPolarHBondContact O-CB 3.25Å; F295-M299 VanDerWaalsContact O-CG 3.29Å; F295-M299 WeakPolarHBondContact O-CG 3.2Å; F295-M299 PolarHBondContact O-N 2.57Å; M299-M301 PolarHBondContact O-N 3.31Å; M299-K327 HydrophobicContact CE-CG 4.27Å; M299-K327 HydrophobicContact SD-CG 4.25Å; M299-L330 HydrophobicContact CG-CD2 4.31Å; M299-L330 HydrophobicContact SD-CD2 4.2Å |
| 300 | G | 87 | Confident | 89 | Confident | 45 Ų | 45 | 52.5 Ų | 52.5 | 46% | 0.464 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 3.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | K296 V298 R302 | K296-G300 PolarHBondContact O-N 2.91Å; V298-G300 VanDerWaalsContact C-N 3.3Å; V298-G300 PolarHBondContact O-N 2.88Å; G300-R302 PolarHBondContact O-N 3.25Å |
| 301 | M | 79.2 | Confident | 88.8 | Confident | 104 Ų | 104 | 58.8 Ų | 58.8 | 51% | 0.512 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 30.5 | -179.2 | -59 | -61.5 | -161 | 0 | 0 | 114.8 | V298 M299 K303 E325 | V298-M301 PolarHBondContact O-N 2.82Å; M299-M301 PolarHBondContact O-N 3.31Å; M301-K303 VanDerWaalsContact C-N 3.34Å; M301-K303 PolarHBondContact O-N 3.15Å; M301-E325 HydrophobicContact CE-CB 4.23Å; M301-E325 HydrophobicContact SD-CB 4.46Å |
| 302 | R | 80.8 | Confident | 88.5 | Confident | 102 Ų | 102 | 66.2 Ų | 66.2 | 39% | 0.385 | 33% | 0.332 | S | S | . | . | trans | -83.7 | 72.6 | 180 | -68.9 | -174.5 | -91.5 | 178 | -15.3 | 111.4 | K296 T297 G300 D304 E305 V306 | K296-R302 PolarHBondContact O-NH2 3.05Å; T297-R302 HydrophobicContact CG2-CB 4.5Å; T297-R302 PolarHBondContact O-N 3.29Å; G300-R302 PolarHBondContact O-N 3.25Å; R302-D304 PolarHBondContact O-N 3.47Å; R302-E305 HydrophobicContact CB-CB 4.11Å; R302-E305 HydrophobicContact CB-CG 4.2Å; R302-E305 WeakPolarHBondContact CD-OE1 3.26Å; R302-E305 IonicContact CZ-OE1 3.69Å; R302-E305 IonicContact CZ-OE2 3.84Å; R302-E305 IonicContact NE-OE1 3.8Å; R302-E305 IonicContact NE-OE2 2.89Å; R302-E305 IonicContact NH1-OE1 2.89Å; R302-E305 PolarHBondContact NH1-OE1 2.77Å; R302-E305 IonicContact NH1-OE2 2.96Å; R302-E305 PolarHBondContact NH1-OE2 2.86Å; R302-E305 PolarHBondContact O-N 3.46Å; R302-V306 WeakPolarHBondContact O-CG2 3.38Å; R302-V306 PolarHBondContact O-N 3.21Å | ||
| 303 | K | 79.1 | Confident | 88.2 | Confident | 145 Ų | 145 | 66.8 Ų | 66.8 | 63% | 0.63 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -56.3 | -34.3 | -173.3 | -68 | -171.5 | 177 | -174.4 | 0 | 113.4 | M301 V306 E325 | M301-K303 VanDerWaalsContact C-N 3.34Å; M301-K303 PolarHBondContact O-N 3.15Å; K303-V306 PolarHBondContact O-N 2.91Å; K303-E325 WeakPolarHBondContact CE-OE1 3.18Å; K303-E325 IonicContact NZ-OE1 2.89Å; K303-E325 PolarHBondContact NZ-OE1 2.95Å |
| 304 | D | 84.9 | Confident | 88 | Confident | 127 Ų | 127 | 68.3 Ų | 68.3 | 68% | 0.679 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66.4 | -32.5 | 176.2 | 59.5 | -45.2 | 0 | 0 | 0 | 113.3 | R302 P308 | R302-D304 PolarHBondContact O-N 3.47Å; D304-P308 WeakPolarHBondContact O-CD 3.16Å |
| 305 | E | 87.4 | Confident | 87.9 | Confident | 67 Ų | 67 | 69 Ų | 69 | 31% | 0.313 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -83.8 | -22.5 | 176.9 | -69.5 | -175.3 | -165.9 | 0 | 0 | 113.5 | T297 R302 P308 L309 | T297-E305 HydrophobicContact CG2-CB 3.6Å; T297-E305 PolarHBondContact OG1-OE2 3.49Å; R302-E305 HydrophobicContact CB-CB 4.11Å; R302-E305 HydrophobicContact CB-CG 4.2Å; R302-E305 WeakPolarHBondContact CD-OE1 3.26Å; R302-E305 IonicContact CZ-OE1 3.69Å; R302-E305 IonicContact CZ-OE2 3.84Å; R302-E305 IonicContact NE-OE1 3.8Å; R302-E305 IonicContact NE-OE2 2.89Å; R302-E305 IonicContact NH1-OE1 2.89Å; R302-E305 PolarHBondContact NH1-OE1 2.77Å; R302-E305 IonicContact NH1-OE2 2.96Å; R302-E305 PolarHBondContact NH1-OE2 2.86Å; R302-E305 PolarHBondContact O-N 3.46Å; E305-P308 WeakPolarHBondContact O-CD 3.49Å; E305-L309 VanDerWaalsContact O-CB 3.31Å; E305-L309 WeakPolarHBondContact O-CB 3.2Å; E305-L309 PolarHBondContact O-N 3.32Å; E305-L309 VanDerWaalsContact O-N 3.08Å |
| 306 | V | 85.7 | Confident | 87.8 | Confident | 18 Ų | 18 | 76.1 Ų | 76.1 | 11% | 0.109 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.5 | -43.8 | -176.9 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | T297 R302 K303 L309 L310 L329 I333 | T297-V306 HydrophobicContact CG2-CG2 3.99Å; R302-V306 WeakPolarHBondContact O-CG2 3.38Å; R302-V306 PolarHBondContact O-N 3.21Å; K303-V306 PolarHBondContact O-N 2.91Å; V306-L309 WeakPolarHBondContact O-CB 3.47Å; V306-L309 PolarHBondContact O-N 2.86Å; V306-L310 HydrophobicContact CG1-CD1 4.2Å; V306-L310 HydrophobicContact CG1-CG 4.32Å; V306-L310 WeakPolarHBondContact O-CG 3.38Å; V306-L310 PolarHBondContact O-N 3.45Å; V306-L329 HydrophobicContact CG1-CD2 4.48Å; V306-I333 HydrophobicContact CG1-CD1 4.47Å |
| 307 | G | 87.3 | Confident | 87.6 | Confident | 34 Ų | 34 | 70.2 Ų | 70.2 | 35% | 0.351 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.1 | -57.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L309 L310 E311 | G307-L309 PolarHBondContact O-N 3Å; G307-L310 PolarHBondContact O-N 2.97Å; G307-L310 VanDerWaalsContact O-N 3.12Å; G307-E311 PolarHBondContact O-N 3.12Å; G307-E311 VanDerWaalsContact O-N 3.16Å |
| 308 | P | 90.6 | Very high | 87.4 | Confident | 62 Ų | 62 | 72.7 Ų | 72.7 | 40% | 0.403 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.1 | -30.1 | 175.2 | -26.7 | 34.4 | 0 | 0 | 0 | 114.2 | D304 E305 K312 | D304-P308 WeakPolarHBondContact O-CD 3.16Å; E305-P308 WeakPolarHBondContact O-CD 3.49Å; P308-K312 WeakPolarHBondContact O-CG 3.38Å; P308-K312 PolarHBondContact O-N 3.03Å |
| 309 | L | 90.1 | Very high | 87.1 | Confident | 10 Ų | 10 | 76.1 Ų | 76.1 | 5% | 0.052 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.8 | -47.2 | 174.6 | 177.8 | 68.5 | 0 | 0 | 0 | 111.2 | K293 V294 T297 E305 V306 G307 E311 K312 L313 | K293-L309 HydrophobicContact CD-CD1 4.46Å; K293-L309 HydrophobicContact CG-CD1 4.4Å; V294-L309 HydrophobicContact CB-CD2 4.42Å; V294-L309 HydrophobicContact CG1-CD2 4.49Å; V294-L309 HydrophobicContact CG2-CD1 4.22Å; V294-L309 HydrophobicContact CG2-CD2 4.14Å; V294-L309 HydrophobicContact CG2-CG 4.49Å; T297-L309 HydrophobicContact CG2-CD2 3.98Å; E305-L309 VanDerWaalsContact O-CB 3.31Å; E305-L309 WeakPolarHBondContact O-CB 3.2Å; E305-L309 PolarHBondContact O-N 3.32Å; E305-L309 VanDerWaalsContact O-N 3.08Å; V306-L309 WeakPolarHBondContact O-CB 3.47Å; V306-L309 PolarHBondContact O-N 2.86Å; G307-L309 PolarHBondContact O-N 3Å; L309-E311 VanDerWaalsContact C-N 3.31Å; L309-E311 PolarHBondContact O-N 3.1Å; L309-K312 PolarHBondContact O-N 2.99Å; L309-L313 HydrophobicContact CD1-CD1 4.04Å; L309-L313 HydrophobicContact CD1-CG 4.3Å; L309-L313 HydrophobicContact CG-CD1 4.03Å; L309-L313 VanDerWaalsContact O-CG 3.32Å; L309-L313 WeakPolarHBondContact O-CG 3.3Å; L309-L313 PolarHBondContact O-N 3.48Å |
| 310 | L | 90.1 | Very high | 86.9 | Confident | 17 Ų | 17 | 80.5 Ų | 80.5 | 9% | 0.089 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.3 | -41.5 | 177.8 | -67.3 | 175.9 | 0 | 0 | 0 | 112.1 | V306 G307 L313 N314 V315 L317 I333 | V306-L310 HydrophobicContact CG1-CD1 4.2Å; V306-L310 HydrophobicContact CG1-CG 4.32Å; V306-L310 WeakPolarHBondContact O-CG 3.38Å; V306-L310 PolarHBondContact O-N 3.45Å; G307-L310 PolarHBondContact O-N 2.97Å; G307-L310 VanDerWaalsContact O-N 3.12Å; L310-L313 PolarHBondContact O-N 3.39Å; L310-N314 PolarHBondContact O-N 3.26Å; L310-V315 HydrophobicContact CD2-CB 4.1Å; L310-V315 HydrophobicContact CD2-CG1 4.04Å; L310-V315 PolarHBondContact O-N 3.36Å; L310-L317 HydrophobicContact CD1-CD1 3.86Å; L310-L317 HydrophobicContact CD1-CG 4.25Å; L310-L317 HydrophobicContact CD2-CD1 4.03Å; L310-L317 HydrophobicContact CD2-CG 4.25Å; L310-I333 HydrophobicContact CD2-CD1 4Å; L310-I333 HydrophobicContact CD2-CG1 3.85Å; L310-I333 HydrophobicContact CD2-CG2 4.23Å |
| 311 | E | 90.3 | Very high | 86.9 | Confident | 159 Ų | 159 | 80.8 Ų | 80.8 | 74% | 0.743 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.4 | -45.7 | 176.1 | -70.6 | 178.9 | 178.2 | 0 | 0 | 111.7 | G307 L309 L313 N314 | G307-E311 PolarHBondContact O-N 3.12Å; G307-E311 VanDerWaalsContact O-N 3.16Å; L309-E311 VanDerWaalsContact C-N 3.31Å; L309-E311 PolarHBondContact O-N 3.1Å; E311-L313 VanDerWaalsContact C-N 3.29Å; E311-L313 PolarHBondContact O-N 3.22Å; E311-N314 PolarHBondContact O-N 2.85Å; E311-N314 VanDerWaalsContact O-N 3.11Å |
| 312 | K | 89.2 | Confident | 87 | Confident | 157 Ų | 157 | 83.7 Ų | 83.7 | 68% | 0.683 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64.2 | -32.9 | 178.1 | -76.8 | 176.1 | -178.4 | 173.8 | 0 | 113.4 | P308 L309 N314 | P308-K312 WeakPolarHBondContact O-CG 3.38Å; P308-K312 PolarHBondContact O-N 3.03Å; L309-K312 PolarHBondContact O-N 2.99Å; K312-N314 VanDerWaalsContact C-N 3.31Å |
| 313 | L | 88.8 | Confident | 87.2 | Confident | 31 Ų | 31 | 86.6 Ų | 86.6 | 16% | 0.162 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -85.7 | -5.3 | 177.3 | -60.7 | 177.6 | 0 | 0 | 0 | 112.9 | V294 L309 L310 E311 V315 W337 | V294-L313 HydrophobicContact CG2-CD1 3.56Å; L309-L313 HydrophobicContact CD1-CD1 4.04Å; L309-L313 HydrophobicContact CD1-CG 4.3Å; L309-L313 HydrophobicContact CG-CD1 4.03Å; L309-L313 VanDerWaalsContact O-CG 3.32Å; L309-L313 WeakPolarHBondContact O-CG 3.3Å; L309-L313 PolarHBondContact O-N 3.48Å; L310-L313 PolarHBondContact O-N 3.39Å; E311-L313 VanDerWaalsContact C-N 3.29Å; E311-L313 PolarHBondContact O-N 3.22Å; L313-V315 VanDerWaalsContact C-N 3.25Å; L313-V315 HydrophobicContact CB-CB 4.48Å; L313-V315 HydrophobicContact CB-CG2 3.76Å; L313-V315 PolarHBondContact O-N 3.38Å; L313-W337 HydrophobicContact CD1-CD2 4.2Å; L313-W337 HydrophobicContact CD1-CE3 4.26Å; L313-W337 HydrophobicContact CD2-CD2 4.19Å; L313-W337 HydrophobicContact CD2-CH2 4.15Å; L313-W337 HydrophobicContact CD2-CZ2 3.67Å |
| 314 | N | 89.9 | Confident | 87.6 | Confident | 135 Ų | 135 | 82.2 Ų | 82.2 | 72% | 0.722 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 38.8 | -172.6 | -166.4 | 27.1 | 0 | 0 | 0 | 113 | L310 E311 K312 | L310-N314 PolarHBondContact O-N 3.26Å; E311-N314 PolarHBondContact O-N 2.85Å; E311-N314 VanDerWaalsContact O-N 3.11Å; K312-N314 VanDerWaalsContact C-N 3.31Å |
| 315 | V | 90.7 | Very high | 87.7 | Confident | 13 Ų | 13 | 80.8 Ų | 80.8 | 8% | 0.079 | 41% | 0.407 | C | S | . | . | trans | -101.8 | 124.5 | -178.7 | 176 | 0 | 0 | 0 | 0 | 110.2 | L310 L313 L317 R336 W337 | L310-V315 HydrophobicContact CD2-CB 4.1Å; L310-V315 HydrophobicContact CD2-CG1 4.04Å; L310-V315 PolarHBondContact O-N 3.36Å; L313-V315 VanDerWaalsContact C-N 3.25Å; L313-V315 HydrophobicContact CB-CB 4.48Å; L313-V315 HydrophobicContact CB-CG2 3.76Å; L313-V315 PolarHBondContact O-N 3.38Å; V315-L317 HydrophobicContact CG1-CD2 4.13Å; V315-L317 HydrophobicContact CG1-CG 4.4Å; V315-R336 HydrophobicContact CG1-CB 3.89Å; V315-W337 HydrophobicContact CG2-CB 3.72Å; V315-W337 HydrophobicContact CG2-CG 4.14Å | ||
| 316 | K | 90.3 | Very high | 87.8 | Confident | 162 Ų | 162 | 78 Ų | 78 | 70% | 0.704 | 40% | 0.397 | S | S | * | . | trans | -105 | 113.7 | 176.4 | -63.7 | -178.8 | -177.2 | 177.6 | 0 | 110.8 | R336 | K316-R336 WeakPolarHBondContact O-CD 3.48Å; K316-R336 PolarHBondContact O-NH1 3.27Å | ||
| 317 | L | 87.2 | Confident | 87.9 | Confident | 8 Ų | 8 | 82.7 Ų | 82.7 | 4% | 0.042 | 42% | 0.416 | C | S | . | . | trans | -98.5 | 135.8 | 173.3 | -61 | -178.4 | 0 | 0 | 0 | 111.6 | L310 V315 E321 R322 L329 A332 I333 | L310-L317 HydrophobicContact CD1-CD1 3.86Å; L310-L317 HydrophobicContact CD1-CG 4.25Å; L310-L317 HydrophobicContact CD2-CD1 4.03Å; L310-L317 HydrophobicContact CD2-CG 4.25Å; V315-L317 HydrophobicContact CG1-CD2 4.13Å; V315-L317 HydrophobicContact CG1-CG 4.4Å; L317-E321 HydrophobicContact CB-CB 4.38Å; L317-E321 WeakPolarHBondContact CD2-OE2 3.45Å; L317-R322 HydrophobicContact CB-CG 3.84Å; L317-R322 HydrophobicContact CD1-CG 4.41Å; L317-R322 PolarHBondContact O-NE 2.95Å; L317-R322 PolarHBondContact O-NH2 2.87Å; L317-L329 HydrophobicContact CD1-CD1 3.94Å; L317-A332 HydrophobicContact CD2-CB 4.41Å; L317-I333 HydrophobicContact CD1-CG1 3.85Å | ||
| 318 | P | 88.1 | Confident | 88 | Confident | 55 Ų | 55 | 87 Ų | 87 | 36% | 0.357 | 43% | 0.427 | S | S | . | . | trans | -56.8 | 160.2 | 165.3 | -21.1 | 31.3 | 0 | 0 | 0 | 112.6 | E320 E321 R322 | P318-E320 VanDerWaalsContact C-N 3.34Å; P318-E320 PolarHBondContact O-N 2.82Å; P318-E321 WeakPolarHBondContact CD-OE2 3.12Å; P318-E321 HydrophobicContact CG-CG 4.37Å; P318-E321 PolarHBondContact O-N 3.18Å; P318-R322 WeakPolarHBondContact O-CG 3.2Å; P318-R322 PolarHBondContact O-N 2.87Å | ||
| 319 | A | 83.8 | Confident | 88 | Confident | 74 Ų | 74 | 84.9 Ų | 84.9 | 61% | 0.612 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -56.4 | -46.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E321 R322 | A319-E321 VanDerWaalsContact C-N 3.34Å; A319-E321 PolarHBondContact O-N 2.68Å; A319-R322 WeakPolarHBondContact O-CB 3.36Å; A319-R322 PolarHBondContact O-N 3.3Å; A319-R322 VanDerWaalsContact O-N 3.14Å |
| 320 | E | 85.1 | Confident | 88 | Confident | 165 Ų | 165 | 84.4 Ų | 84.4 | 77% | 0.771 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -60.5 | -39.1 | 178.8 | -62 | 173.4 | -171.1 | 0 | 0 | 112.9 | P318 R322 E323 | P318-E320 VanDerWaalsContact C-N 3.34Å; P318-E320 PolarHBondContact O-N 2.82Å; E320-R322 VanDerWaalsContact C-N 3.32Å; E320-R322 PolarHBondContact O-N 2.85Å; E320-E323 PolarHBondContact O-N 2.83Å |
| 321 | E | 85.3 | Confident | 88.1 | Confident | 52 Ų | 52 | 85.8 Ų | 85.8 | 24% | 0.243 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -74.4 | -22 | 179.2 | -71.8 | 178.7 | -156.7 | 0 | 0 | 112.6 | L317 P318 A319 E323 L324 L329 A332 R336 | L317-E321 HydrophobicContact CB-CB 4.38Å; L317-E321 WeakPolarHBondContact CD2-OE2 3.45Å; P318-E321 WeakPolarHBondContact CD-OE2 3.12Å; P318-E321 HydrophobicContact CG-CG 4.37Å; P318-E321 PolarHBondContact O-N 3.18Å; A319-E321 VanDerWaalsContact C-N 3.34Å; A319-E321 PolarHBondContact O-N 2.68Å; E321-E323 VanDerWaalsContact C-N 3.31Å; E321-L324 HydrophobicContact CB-CD1 4.23Å; E321-L324 HydrophobicContact CG-CD1 4.34Å; E321-L324 WeakPolarHBondContact O-CB 3.25Å; E321-L324 WeakPolarHBondContact O-CG 3.43Å; E321-L324 PolarHBondContact O-N 3.05Å; E321-L329 WeakPolarHBondContact O-CD1 3.23Å; E321-A332 HydrophobicContact CB-CB 4.44Å; E321-A332 HydrophobicContact CG-CB 4.49Å; E321-R336 IonicContact OE1-CZ 3.19Å; E321-R336 IonicContact OE1-NH2 2.91Å; E321-R336 PolarHBondContact OE1-NH2 2.95Å; E321-R336 IonicContact OE2-CZ 3.75Å; E321-R336 IonicContact OE2-NE 2.67Å; E321-R336 PolarHBondContact OE2-NE 3.2Å; E321-R336 IonicContact OE2-NH2 3.32Å |
| 322 | R | 82.6 | Confident | 88.1 | Confident | 164 Ų | 164 | 78.8 Ų | 78.8 | 62% | 0.619 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -74.7 | -22.4 | 177.4 | -71.7 | 177.4 | -170.2 | 179.7 | -2.4 | 113.1 | L317 P318 A319 E320 L324 | L317-R322 HydrophobicContact CB-CG 3.84Å; L317-R322 HydrophobicContact CD1-CG 4.41Å; L317-R322 PolarHBondContact O-NE 2.95Å; L317-R322 PolarHBondContact O-NH2 2.87Å; P318-R322 WeakPolarHBondContact O-CG 3.2Å; P318-R322 PolarHBondContact O-N 2.87Å; A319-R322 WeakPolarHBondContact O-CB 3.36Å; A319-R322 PolarHBondContact O-N 3.3Å; A319-R322 VanDerWaalsContact O-N 3.14Å; E320-R322 VanDerWaalsContact C-N 3.32Å; E320-R322 PolarHBondContact O-N 2.85Å; R322-L324 VanDerWaalsContact C-N 3.31Å |
| 323 | E | 84.7 | Confident | 88.3 | Confident | 163 Ų | 163 | 71.3 Ų | 71.3 | 76% | 0.762 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -12.7 | 176.6 | -64.4 | -174.7 | 170.3 | 0 | 0 | 112.7 | E320 E321 | E320-E323 PolarHBondContact O-N 2.83Å; E321-E323 VanDerWaalsContact C-N 3.31Å |
| 324 | L | 87.7 | Confident | 88.5 | Confident | 53 Ų | 53 | 69.9 Ų | 69.9 | 28% | 0.277 | 34% | 0.344 | S | S | . | . | trans | -62.4 | 152.6 | 175 | -59.5 | 175.3 | 0 | 0 | 0 | 110.6 | E321 R322 Q328 L329 A332 | E321-L324 HydrophobicContact CB-CD1 4.23Å; E321-L324 HydrophobicContact CG-CD1 4.34Å; E321-L324 WeakPolarHBondContact O-CB 3.25Å; E321-L324 WeakPolarHBondContact O-CG 3.43Å; E321-L324 PolarHBondContact O-N 3.05Å; R322-L324 VanDerWaalsContact C-N 3.31Å; L324-Q328 HydrophobicContact CB-CB 4.15Å; L324-Q328 HydrophobicContact CD1-CB 4.37Å; L324-Q328 HydrophobicContact CD2-CB 4.3Å; L324-L329 HydrophobicContact CB-CB 4Å; L324-L329 HydrophobicContact CB-CD1 4.5Å; L324-L329 WeakPolarHBondContact O-CB 3.39Å; L324-L329 WeakPolarHBondContact O-CD2 3.29Å; L324-A332 HydrophobicContact CD1-CB 4.22Å | ||
| 325 | E | 86.8 | Confident | 88.5 | Confident | 97 Ų | 97 | 67.3 Ų | 67.3 | 45% | 0.453 | 32% | 0.324 | S | S | . | . | trans | -129.6 | 160.4 | 178.2 | -64.7 | -170.3 | 163.9 | 0 | 0 | 112.2 | M301 K303 K327 Q328 | M301-E325 HydrophobicContact CE-CB 4.23Å; M301-E325 HydrophobicContact SD-CB 4.46Å; K303-E325 WeakPolarHBondContact CE-OE1 3.18Å; K303-E325 IonicContact NZ-OE1 2.89Å; K303-E325 PolarHBondContact NZ-OE1 2.95Å; E325-K327 PolarHBondContact O-N 3.08Å; E325-Q328 PolarHBondContact O-N 2.75Å | ||
| 326 | G | 88.6 | Confident | 88.6 | Confident | 10 Ų | 10 | 72.5 Ų | 72.5 | 10% | 0.103 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | 53 | -127.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q328 L329 L330 | G326-Q328 VanDerWaalsContact C-N 3.28Å; G326-Q328 PolarHBondContact O-N 2.72Å; G326-L329 PolarHBondContact O-N 3.44Å; G326-L330 WeakPolarHBondContact O-CB 3.22Å; G326-L330 PolarHBondContact O-N 3.17Å |
| 327 | K | 88.5 | Confident | 88.8 | Confident | 116 Ų | 116 | 66 Ų | 66 | 50% | 0.504 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.7 | -32.1 | -176.2 | -67.4 | -172.3 | -179.4 | -174.4 | 0 | 113 | M299 E325 K331 | M299-K327 HydrophobicContact CE-CG 4.27Å; M299-K327 HydrophobicContact SD-CG 4.25Å; E325-K327 PolarHBondContact O-N 3.08Å; K327-K331 VanDerWaalsContact O-CG 3.26Å; K327-K331 WeakPolarHBondContact O-CG 3.36Å; K327-K331 PolarHBondContact O-N 3.33Å |
| 328 | Q | 88.8 | Confident | 89.1 | Confident | 125 Ų | 125 | 65.8 Ų | 65.8 | 58% | 0.584 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -70.4 | -45.8 | -178.7 | -68.7 | -178.2 | -10.9 | 0 | 0 | 111.3 | L324 E325 G326 L330 K331 A332 | L324-Q328 HydrophobicContact CB-CB 4.15Å; L324-Q328 HydrophobicContact CD1-CB 4.37Å; L324-Q328 HydrophobicContact CD2-CB 4.3Å; E325-Q328 PolarHBondContact O-N 2.75Å; G326-Q328 VanDerWaalsContact C-N 3.28Å; G326-Q328 PolarHBondContact O-N 2.72Å; Q328-L330 VanDerWaalsContact C-N 3.34Å; Q328-L330 PolarHBondContact O-N 2.93Å; Q328-K331 PolarHBondContact O-N 2.77Å; Q328-A332 PolarHBondContact O-N 2.87Å |
| 329 | L | 91.2 | Very high | 89.3 | Confident | 16 Ų | 16 | 65.2 Ų | 65.2 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 173.8 | -178.4 | 58.4 | 0 | 0 | 0 | 111.4 | V298 V306 L317 E321 L324 G326 K331 A332 I333 | V298-L329 HydrophobicContact CG1-CB 4.1Å; V298-L329 HydrophobicContact CG1-CD2 4.06Å; V298-L329 HydrophobicContact CG1-CG 4.05Å; V306-L329 HydrophobicContact CG1-CD2 4.48Å; L317-L329 HydrophobicContact CD1-CD1 3.94Å; E321-L329 WeakPolarHBondContact O-CD1 3.23Å; L324-L329 HydrophobicContact CB-CB 4Å; L324-L329 HydrophobicContact CB-CD1 4.5Å; L324-L329 WeakPolarHBondContact O-CB 3.39Å; L324-L329 WeakPolarHBondContact O-CD2 3.29Å; G326-L329 PolarHBondContact O-N 3.44Å; L329-K331 VanDerWaalsContact C-N 3.33Å; L329-K331 PolarHBondContact O-N 2.85Å; L329-A332 PolarHBondContact O-N 2.82Å; L329-I333 HydrophobicContact CD1-CD1 4.03Å; L329-I333 HydrophobicContact CD1-CG1 4.25Å; L329-I333 HydrophobicContact CG-CD1 3.9Å; L329-I333 HydrophobicContact CG-CG1 4.49Å; L329-I333 WeakPolarHBondContact O-CG1 3.34Å; L329-I333 PolarHBondContact O-N 3.34Å |
| 330 | L | 91.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.8 | -46.3 | 177.6 | -178.7 | 63.3 | 0 | 0 | 0 | 111.5 | V294 F295 V298 M299 G326 Q328 A332 I333 M334 | V294-L330 HydrophobicContact CG1-CD1 3.86Å; F295-L330 HydrophobicContact CD1-CD2 3.78Å; F295-L330 HydrophobicContact CD2-CD1 3.85Å; F295-L330 HydrophobicContact CD2-CD2 4.43Å; F295-L330 HydrophobicContact CE1-CD2 3.69Å; F295-L330 HydrophobicContact CE2-CD1 4.03Å; F295-L330 HydrophobicContact CE2-CD2 4.36Å; F295-L330 HydrophobicContact CG-CD1 4.14Å; F295-L330 HydrophobicContact CG-CD2 4.16Å; F295-L330 HydrophobicContact CZ-CD1 4.46Å; F295-L330 HydrophobicContact CZ-CD2 3.99Å; F295-L330 HydrophobicContact CZ-CG 4.48Å; V298-L330 HydrophobicContact CB-CD1 4.3Å; V298-L330 HydrophobicContact CG1-CB 3.86Å; V298-L330 HydrophobicContact CG1-CD1 4.48Å; V298-L330 HydrophobicContact CG2-CD1 4.5Å; M299-L330 HydrophobicContact CG-CD2 4.31Å; M299-L330 HydrophobicContact SD-CD2 4.2Å; G326-L330 WeakPolarHBondContact O-CB 3.22Å; G326-L330 PolarHBondContact O-N 3.17Å; Q328-L330 VanDerWaalsContact C-N 3.34Å; Q328-L330 PolarHBondContact O-N 2.93Å; L330-A332 PolarHBondContact O-N 3.18Å; L330-I333 PolarHBondContact O-N 2.8Å; L330-M334 HydrophobicContact CD1-CG 4.01Å; L330-M334 HydrophobicContact CG-CG 4.4Å; L330-M334 WeakPolarHBondContact O-CB 3.18Å; L330-M334 VanDerWaalsContact O-CG 3.25Å; L330-M334 WeakPolarHBondContact O-CG 3.1Å; L330-M334 PolarHBondContact O-N 2.86Å |
| 331 | K | 90.7 | Very high | 90 | Very high | 47 Ų | 47 | 54.2 Ų | 54.2 | 20% | 0.204 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.2 | -46.2 | 175.6 | -74.4 | -179.3 | -176 | -164.9 | 0 | 111.4 | H230 K327 Q328 L329 I333 M334 R335 | H230-K331 HydrophobicContact CB-CG 4.07Å; H230-K331 VanDerWaalsContact CD2-CE 3.4Å; H230-K331 WeakPolarHBondContact CD2-CE 3.28Å; K327-K331 VanDerWaalsContact O-CG 3.26Å; K327-K331 WeakPolarHBondContact O-CG 3.36Å; K327-K331 PolarHBondContact O-N 3.33Å; Q328-K331 PolarHBondContact O-N 2.77Å; L329-K331 VanDerWaalsContact C-N 3.33Å; L329-K331 PolarHBondContact O-N 2.85Å; K331-I333 PolarHBondContact O-N 3.47Å; K331-M334 PolarHBondContact O-N 3.42Å; K331-R335 VanDerWaalsContact O-CB 3.27Å; K331-R335 WeakPolarHBondContact O-CB 3.29Å; K331-R335 WeakPolarHBondContact O-CD 3.33Å; K331-R335 WeakPolarHBondContact O-CG 3.21Å; K331-R335 PolarHBondContact O-N 3.31Å |
| 332 | A | 90.3 | Very high | 90.3 | Very high | 12 Ų | 12 | 53.4 Ų | 53.4 | 10% | 0.099 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.3 | -46 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L317 E321 L324 Q328 L329 L330 R336 | L317-A332 HydrophobicContact CD2-CB 4.41Å; E321-A332 HydrophobicContact CB-CB 4.44Å; E321-A332 HydrophobicContact CG-CB 4.49Å; L324-A332 HydrophobicContact CD1-CB 4.22Å; Q328-A332 PolarHBondContact O-N 2.87Å; L329-A332 PolarHBondContact O-N 2.82Å; L330-A332 PolarHBondContact O-N 3.18Å; A332-R336 PolarHBondContact O-N 2.82Å |
| 333 | I | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.1 | -52.3 | 177.8 | -66.2 | 172.1 | 0 | 0 | 0 | 110.8 | V294 V298 V306 L310 L317 L329 L330 K331 R335 R336 W337 | V294-I333 HydrophobicContact CG1-CG2 3.97Å; V298-I333 HydrophobicContact CG2-CD1 3.67Å; V306-I333 HydrophobicContact CG1-CD1 4.47Å; L310-I333 HydrophobicContact CD2-CD1 4Å; L310-I333 HydrophobicContact CD2-CG1 3.85Å; L310-I333 HydrophobicContact CD2-CG2 4.23Å; L317-I333 HydrophobicContact CD1-CG1 3.85Å; L329-I333 HydrophobicContact CD1-CD1 4.03Å; L329-I333 HydrophobicContact CD1-CG1 4.25Å; L329-I333 HydrophobicContact CG-CD1 3.9Å; L329-I333 HydrophobicContact CG-CG1 4.49Å; L329-I333 WeakPolarHBondContact O-CG1 3.34Å; L329-I333 PolarHBondContact O-N 3.34Å; L330-I333 PolarHBondContact O-N 2.8Å; K331-I333 PolarHBondContact O-N 3.47Å; I333-R335 PolarHBondContact O-N 3.38Å; I333-R336 PolarHBondContact O-N 3.35Å; I333-W337 WeakPolarHBondContact O-CB 3.42Å; I333-W337 PolarHBondContact O-N 2.86Å |
| 334 | M | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.3 | -38.5 | -174.3 | -67.6 | -60.9 | -63.8 | 0 | 0 | 112.2 | W232 I291 V294 F295 L330 K331 R336 W337 L338 | W232-M334 HydrophobicContact CB-CB 3.7Å; W232-M334 HydrophobicContact CB-CE 4.4Å; W232-M334 HydrophobicContact CD2-CB 4.38Å; W232-M334 HydrophobicContact CD2-CE 3.39Å; W232-M334 HydrophobicContact CE3-CE 3.39Å; W232-M334 HydrophobicContact CG-CB 3.62Å; W232-M334 HydrophobicContact CG-CE 3.85Å; W232-M334 HydrophobicContact CG-CG 4.33Å; W232-M334 HydrophobicContact CH2-CE 4.18Å; W232-M334 HydrophobicContact CZ2-CE 4.23Å; W232-M334 HydrophobicContact CZ3-CE 3.78Å; I291-M334 HydrophobicContact CG2-CE 4.33Å; V294-M334 HydrophobicContact CB-SD 4.3Å; V294-M334 HydrophobicContact CG1-SD 3.82Å; F295-M334 HydrophobicContact CE2-CE 4.16Å; F295-M334 HydrophobicContact CE2-CG 4.26Å; F295-M334 HydrophobicContact CE2-SD 4.14Å; L330-M334 HydrophobicContact CD1-CG 4.01Å; L330-M334 HydrophobicContact CG-CG 4.4Å; L330-M334 WeakPolarHBondContact O-CB 3.18Å; L330-M334 VanDerWaalsContact O-CG 3.25Å; L330-M334 WeakPolarHBondContact O-CG 3.1Å; L330-M334 PolarHBondContact O-N 2.86Å; K331-M334 PolarHBondContact O-N 3.42Å; M334-R336 VanDerWaalsContact C-N 3.27Å; M334-R336 PolarHBondContact O-N 2.94Å; M334-W337 HydrophobicContact CE-CE3 4.13Å; M334-W337 HydrophobicContact CE-CZ3 4.24Å; M334-W337 PolarHBondContact O-N 3.1Å; M334-W337 HydrophobicContact SD-CE3 3.81Å; M334-W337 HydrophobicContact SD-CZ3 4.13Å; M334-L338 HydrophobicContact CE-CD1 4.3Å; M334-L338 CarbonylContact O-C 3.56Å; M334-L338 PolarHBondContact O-N 3.22Å |
| 335 | R | 90.9 | Very high | 91.6 | Very high | 82 Ų | 82 | 35.6 Ų | 35.6 | 31% | 0.309 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.2 | -33.6 | 176.3 | -77.2 | 172.1 | -179.9 | -163.2 | -6.8 | 113 | H230 G231 K331 I333 P339 | H230-R335 VanDerWaalsContact O-CG 3.32Å; H230-R335 WeakPolarHBondContact O-CG 3.09Å; H230-R335 PolarHBondContact O-NE 2.98Å; G231-R335 WeakPolarHBondContact O-CG 3.3Å; K331-R335 VanDerWaalsContact O-CB 3.27Å; K331-R335 WeakPolarHBondContact O-CB 3.29Å; K331-R335 WeakPolarHBondContact O-CD 3.33Å; K331-R335 WeakPolarHBondContact O-CG 3.21Å; K331-R335 PolarHBondContact O-N 3.31Å; I333-R335 PolarHBondContact O-N 3.38Å; R335-P339 VanDerWaalsContact O-CA 3.3Å; R335-P339 WeakPolarHBondContact O-CA 3.29Å; R335-P339 WeakPolarHBondContact O-CB 3.44Å |
| 336 | R | 91.8 | Very high | 92 | Very high | 122 Ų | 122 | 32.4 Ų | 32.4 | 46% | 0.46 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -85.2 | -32.8 | 177.6 | -66.6 | -153.2 | -170.7 | -138 | -8.9 | 113.1 | V315 K316 E321 A332 I333 M334 | V315-R336 HydrophobicContact CG1-CB 3.89Å; K316-R336 WeakPolarHBondContact O-CD 3.48Å; K316-R336 PolarHBondContact O-NH1 3.27Å; E321-R336 IonicContact OE1-CZ 3.19Å; E321-R336 IonicContact OE1-NH2 2.91Å; E321-R336 PolarHBondContact OE1-NH2 2.95Å; E321-R336 IonicContact OE2-CZ 3.75Å; E321-R336 IonicContact OE2-NE 2.67Å; E321-R336 PolarHBondContact OE2-NE 3.2Å; E321-R336 IonicContact OE2-NH2 3.32Å; A332-R336 PolarHBondContact O-N 2.82Å; I333-R336 PolarHBondContact O-N 3.35Å; M334-R336 VanDerWaalsContact C-N 3.27Å; M334-R336 PolarHBondContact O-N 2.94Å |
| 337 | W | 94.2 | Very high | 92.3 | Very high | 26 Ų | 26 | 32.1 Ų | 32.1 | 10% | 0.098 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -75.2 | -46.9 | 179.6 | -175.2 | 31.3 | 0 | 0 | 0 | 112.3 | F239 P290 I291 V294 L313 V315 I333 M334 | F239-W337 HydrophobicContact CE1-CH2 4.15Å; F239-W337 AromaticContact CE1-CZ2 3.98Å; F239-W337 HydrophobicContact CE1-CZ2 3.98Å; F239-W337 HydrophobicContact CZ-CH2 4.07Å; F239-W337 HydrophobicContact CZ-CZ2 4.15Å; P290-W337 HydrophobicContact CB-CH2 3.85Å; P290-W337 HydrophobicContact CB-CZ2 4.4Å; I291-W337 HydrophobicContact CG1-CH2 4.08Å; I291-W337 HydrophobicContact CG1-CZ3 4Å; V294-W337 HydrophobicContact CG2-CE3 4.25Å; V294-W337 HydrophobicContact CG2-CZ3 3.9Å; L313-W337 HydrophobicContact CD1-CD2 4.2Å; L313-W337 HydrophobicContact CD1-CE3 4.26Å; L313-W337 HydrophobicContact CD2-CD2 4.19Å; L313-W337 HydrophobicContact CD2-CH2 4.15Å; L313-W337 HydrophobicContact CD2-CZ2 3.67Å; V315-W337 HydrophobicContact CG2-CB 3.72Å; V315-W337 HydrophobicContact CG2-CG 4.14Å; I333-W337 WeakPolarHBondContact O-CB 3.42Å; I333-W337 PolarHBondContact O-N 2.86Å; M334-W337 HydrophobicContact CE-CE3 4.13Å; M334-W337 HydrophobicContact CE-CZ3 4.24Å; M334-W337 PolarHBondContact O-N 3.1Å; M334-W337 HydrophobicContact SD-CE3 3.81Å; M334-W337 HydrophobicContact SD-CZ3 4.13Å |
| 338 | L | 94.6 | Very high | 92.7 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -135.2 | 68.3 | -174.2 | -65.6 | 174.1 | 0 | 0 | 0 | 109.9 | W232 A233 F234 Q238 F239 M242 M334 A340 | W232-L338 CarbonylContact C-O 3.56Å; W232-L338 WeakPolarHBondContact CA-O 3.29Å; W232-L338 VanDerWaalsContact CB-O 3.28Å; W232-L338 WeakPolarHBondContact CB-O 3.46Å; A233-L338 PolarHBondContact N-O 3.45Å; F234-L338 HydrophobicContact CB-CD1 4.27Å; F234-L338 HydrophobicContact CB-CD2 4.22Å; F234-L338 HydrophobicContact CD1-CD1 4.33Å; Q238-L338 HydrophobicContact CB-CD2 4.38Å; F239-L338 HydrophobicContact CE2-CD1 4.01Å; F239-L338 HydrophobicContact CE2-CD2 4.41Å; F239-L338 HydrophobicContact CZ-CD1 3.91Å; M242-L338 HydrophobicContact CE-CD2 3.86Å; M334-L338 HydrophobicContact CE-CD1 4.3Å; M334-L338 CarbonylContact O-C 3.56Å; M334-L338 PolarHBondContact O-N 3.22Å; L338-A340 PolarHBondContact O-N 2.89Å |
| 339 | P | 92.5 | Very high | 93.1 | Very high | 43 Ų | 43 | 20.7 Ų | 20.7 | 28% | 0.279 | 10% | 0.096 | S | C | . | . | B | Isolated β-bridge | trans | -60 | 124 | -175.4 | 21.7 | -31.8 | 0 | 0 | 0 | 112.2 | R335 G341 D342 T343 | R335-P339 VanDerWaalsContact O-CA 3.3Å; R335-P339 WeakPolarHBondContact O-CA 3.29Å; R335-P339 WeakPolarHBondContact O-CB 3.44Å; P339-G341 PolarHBondContact O-N 3.29Å; P339-D342 HydrophobicContact CB-CB 4.38Å; P339-D342 WeakPolarHBondContact CB-OD2 3.33Å; P339-D342 HydrophobicContact CG-CB 3.99Å; P339-T343 PolarHBondContact O-N 2.81Å; P339-T343 PolarHBondContact O-OG1 3.26Å |
| 340 | A | 92.2 | Very high | 93.3 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 2% | 0.017 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.5 | -43.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G231 A233 L338 T343 M344 | G231-A340 VanDerWaalsContact C-CB 3.48Å; G231-A340 WeakPolarHBondContact O-CB 2.99Å; G231-A340 PolarHBondContact O-N 3.3Å; A233-A340 HydrophobicContact CB-CB 3.92Å; L338-A340 PolarHBondContact O-N 2.89Å; A340-T343 PolarHBondContact O-N 2.97Å; A340-M344 HydrophobicContact CB-CE 4.07Å; A340-M344 WeakPolarHBondContact O-CB 3.37Å; A340-M344 WeakPolarHBondContact O-CE 3.5Å; A340-M344 VanDerWaalsContact O-CG 3.31Å; A340-M344 WeakPolarHBondContact O-CG 3.48Å; A340-M344 PolarHBondContact O-N 3.24Å |
| 341 | G | 90.1 | Very high | 93.5 | Very high | 7 Ų | 7 | 20.7 Ų | 20.7 | 7% | 0.072 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.4 | -50.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P339 M344 L345 | P339-G341 PolarHBondContact O-N 3.29Å; G341-M344 PolarHBondContact O-N 3.22Å; G341-L345 WeakPolarHBondContact O-CB 3.42Å; G341-L345 WeakPolarHBondContact O-CG 3.48Å; G341-L345 PolarHBondContact O-N 2.91Å |
| 342 | D | 91.6 | Very high | 93.8 | Very high | 35 Ų | 35 | 18.5 Ų | 18.5 | 19% | 0.187 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.6 | -48.3 | 178 | -62.6 | -102.3 | 0 | 0 | 0 | 111.9 | K42 P339 M344 L345 Q346 | K42-D342 WeakPolarHBondContact CD-OD2 3.45Å; K42-D342 VanDerWaalsContact CE-CG 3.43Å; K42-D342 WeakPolarHBondContact CE-OD1 3.46Å; K42-D342 WeakPolarHBondContact CE-OD2 3.49Å; K42-D342 IonicContact NZ-OD1 2.76Å; K42-D342 PolarHBondContact NZ-OD1 2.84Å; K42-D342 IonicContact NZ-OD2 3.27Å; K42-D342 PolarHBondContact NZ-OD2 2.7Å; P339-D342 HydrophobicContact CB-CB 4.38Å; P339-D342 WeakPolarHBondContact CB-OD2 3.33Å; P339-D342 HydrophobicContact CG-CB 3.99Å; D342-M344 VanDerWaalsContact C-N 3.34Å; D342-M344 PolarHBondContact O-N 3.43Å; D342-L345 PolarHBondContact O-N 2.93Å; D342-Q346 VanDerWaalsContact O-CB 3.27Å; D342-Q346 WeakPolarHBondContact O-CB 3.47Å; D342-Q346 WeakPolarHBondContact O-CG 3.42Å; D342-Q346 PolarHBondContact O-N 2.76Å |
| 343 | T | 94.2 | Very high | 94.1 | Very high | 5 Ų | 5 | 18.2 Ų | 18.2 | 3% | 0.031 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.8 | -47.5 | -179.9 | -66.1 | 0 | 0 | 0 | 0 | 111.4 | A233 F234 T235 P339 A340 M347 | A233-T343 HydrophobicContact CB-CG2 4.16Å; A233-T343 WeakPolarHBondContact O-CB 3.19Å; A233-T343 PolarHBondContact O-OG1 3.24Å; F234-T343 VanDerWaalsContact C-CG2 3.48Å; F234-T343 VanDerWaalsContact CA-CG2 3.49Å; T235-T343 HydrophobicContact CG2-CG2 3.94Å; P339-T343 PolarHBondContact O-N 2.81Å; P339-T343 PolarHBondContact O-OG1 3.26Å; A340-T343 PolarHBondContact O-N 2.97Å; T343-M347 WeakPolarHBondContact O-CB 3.25Å; T343-M347 PolarHBondContact O-N 3.35Å |
| 344 | M | 94.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -70.7 | -44.5 | -177.7 | -68.1 | -174.9 | -70.6 | 0 | 0 | 112.3 | L35 L39 F168 A340 G341 D342 Q346 M347 I348 | L35-M344 HydrophobicContact CD1-CE 3.83Å; L35-M344 HydrophobicContact CD1-SD 3.39Å; L35-M344 WeakPolarHBondContact CD1-SD 3.31Å; L35-M344 HydrophobicContact CD2-SD 3.76Å; L35-M344 HydrophobicContact CG-CE 4.05Å; L35-M344 HydrophobicContact CG-SD 3.43Å; L35-M344 WeakPolarHBondContact CG-SD 3.1Å; L39-M344 HydrophobicContact CD2-CB 3.54Å; L39-M344 HydrophobicContact CD2-CE 3.67Å; L39-M344 HydrophobicContact CD2-CG 4.48Å; L39-M344 HydrophobicContact CD2-SD 4.18Å; L39-M344 HydrophobicContact CG-CE 3.74Å; L39-M344 HydrophobicContact CG-SD 4.34Å; F168-M344 HydrophobicContact CD2-CG 3.98Å; F168-M344 HydrophobicContact CD2-SD 4.24Å; F168-M344 HydrophobicContact CE2-CG 3.73Å; F168-M344 HydrophobicContact CE2-SD 3.98Å; F168-M344 HydrophobicContact CZ-SD 4.3Å; A340-M344 HydrophobicContact CB-CE 4.07Å; A340-M344 WeakPolarHBondContact O-CB 3.37Å; A340-M344 WeakPolarHBondContact O-CE 3.5Å; A340-M344 VanDerWaalsContact O-CG 3.31Å; A340-M344 WeakPolarHBondContact O-CG 3.48Å; A340-M344 PolarHBondContact O-N 3.24Å; G341-M344 PolarHBondContact O-N 3.22Å; D342-M344 VanDerWaalsContact C-N 3.34Å; D342-M344 PolarHBondContact O-N 3.43Å; M344-Q346 VanDerWaalsContact C-N 3.3Å; M344-Q346 PolarHBondContact O-N 3.31Å; M344-M347 WeakPolarHBondContact O-CB 3.48Å; M344-M347 PolarHBondContact O-N 3.38Å; M344-I348 WeakPolarHBondContact O-CB 3.29Å; M344-I348 WeakPolarHBondContact O-CD1 3.27Å; M344-I348 VanDerWaalsContact O-CG1 3.24Å; M344-I348 WeakPolarHBondContact O-CG1 3.28Å; M344-I348 PolarHBondContact O-N 3.07Å |
| 345 | L | 94.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63 | -37.7 | 177.5 | -66.8 | 169.9 | 0 | 0 | 0 | 111.3 | L39 K42 M77 F79 I112 G341 D342 I348 C349 | L39-L345 HydrophobicContact CD2-CD2 3.75Å; L39-L345 HydrophobicContact CD2-CG 3.76Å; K42-L345 HydrophobicContact CB-CD1 4.13Å; K42-L345 HydrophobicContact CG-CD1 3.72Å; M77-L345 HydrophobicContact CE-CD2 4.13Å; F79-L345 HydrophobicContact CB-CB 4.46Å; F79-L345 HydrophobicContact CB-CD1 4.31Å; F79-L345 HydrophobicContact CD1-CB 3.75Å; F79-L345 HydrophobicContact CD2-CB 3.81Å; F79-L345 HydrophobicContact CD2-CD1 3.47Å; F79-L345 VanDerWaalsContact CD2-CD1 3.47Å; F79-L345 HydrophobicContact CD2-CG 4.24Å; F79-L345 HydrophobicContact CE1-CB 3.81Å; F79-L345 HydrophobicContact CE2-CB 3.89Å; F79-L345 HydrophobicContact CE2-CD1 3.93Å; F79-L345 HydrophobicContact CG-CB 3.73Å; F79-L345 HydrophobicContact CG-CD1 3.96Å; F79-L345 HydrophobicContact CG-CG 4.36Å; F79-L345 HydrophobicContact CZ-CB 3.89Å; I112-L345 HydrophobicContact CD1-CB 4.48Å; I112-L345 HydrophobicContact CD1-CD2 3.52Å; G341-L345 WeakPolarHBondContact O-CB 3.42Å; G341-L345 WeakPolarHBondContact O-CG 3.48Å; G341-L345 PolarHBondContact O-N 2.91Å; D342-L345 PolarHBondContact O-N 2.93Å; L345-I348 PolarHBondContact O-N 2.89Å; L345-C349 PolarHBondContact O-N 3.01Å; L345-C349 PolarHBondContact O-SG 3.43Å |
| 346 | Q | 95 | Very high | 94.8 | Very high | 30 Ų | 30 | 15.3 Ų | 15.3 | 14% | 0.14 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.3 | -50.3 | 171.2 | -75.4 | 174.2 | 24.6 | 0 | 0 | 111.4 | F79 L81 Q238 D342 M344 I348 C349 I350 | F79-Q346 HydrophobicContact CE1-CG 3.99Å; F79-Q346 HydrophobicContact CZ-CG 3.93Å; L81-Q346 HydrophobicContact CD2-CB 4.24Å; L81-Q346 HydrophobicContact CD2-CG 3.76Å; Q238-Q346 VanDerWaalsContact NE2-OE1 3.09Å; D342-Q346 VanDerWaalsContact O-CB 3.27Å; D342-Q346 WeakPolarHBondContact O-CB 3.47Å; D342-Q346 WeakPolarHBondContact O-CG 3.42Å; D342-Q346 PolarHBondContact O-N 2.76Å; M344-Q346 VanDerWaalsContact C-N 3.3Å; M344-Q346 PolarHBondContact O-N 3.31Å; Q346-I348 VanDerWaalsContact C-N 3.3Å; Q346-I348 PolarHBondContact O-N 3.01Å; Q346-C349 PolarHBondContact O-N 3.01Å; Q346-I350 HydrophobicContact CB-CD1 4.48Å; Q346-I350 VanDerWaalsContact O-CB 3.31Å; Q346-I350 WeakPolarHBondContact O-CB 3.3Å; Q346-I350 WeakPolarHBondContact O-CD1 3.38Å; Q346-I350 WeakPolarHBondContact O-CG1 3.49Å; Q346-I350 PolarHBondContact O-N 2.86Å |
| 347 | M | 96.1 | Very high | 95 | Very high | 4 Ų | 4 | 11 Ų | 11 | 2% | 0.02 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -57.9 | -43.2 | 178.6 | -173.1 | 177.9 | 72.4 | 0 | 0 | 111.7 | L138 V166 G224 T235 T343 M344 I350 H351 | L138-M347 HydrophobicContact CD1-CE 3.41Å; L138-M347 VanDerWaalsContact CD1-CE 3.41Å; V166-M347 HydrophobicContact CB-CE 4.18Å; V166-M347 HydrophobicContact CG2-CE 3.92Å; G224-M347 PolarHBondContact N-SD 3.42Å; T235-M347 HydrophobicContact CG2-CB 4.42Å; T235-M347 HydrophobicContact CG2-CG 4.48Å; T235-M347 HydrophobicContact CG2-SD 4.14Å; T343-M347 WeakPolarHBondContact O-CB 3.25Å; T343-M347 PolarHBondContact O-N 3.35Å; M344-M347 WeakPolarHBondContact O-CB 3.48Å; M344-M347 PolarHBondContact O-N 3.38Å; M347-I350 PolarHBondContact O-N 3.21Å; M347-H351 WeakPolarHBondContact O-CB 3.36Å; M347-H351 PolarHBondContact O-CD2 2.81Å; M347-H351 PolarHBondContact O-N 2.71Å |
| 348 | I | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.3 | -52.4 | 176.3 | -73.4 | 160 | 0 | 0 | 0 | 111 | R20 M22 L39 I112 M344 L345 Q346 I350 L352 | R20-I348 HydrophobicContact CB-CG2 4.22Å; R20-I348 HydrophobicContact CG-CG2 4.41Å; M22-I348 HydrophobicContact SD-CD1 3.48Å; M22-I348 WeakPolarHBondContact SD-CD1 3.48Å; M22-I348 HydrophobicContact SD-CG1 3.8Å; M22-I348 HydrophobicContact SD-CG2 4.18Å; L39-I348 HydrophobicContact CD1-CD1 4.43Å; L39-I348 HydrophobicContact CD2-CD1 4.29Å; I112-I348 HydrophobicContact CD1-CG2 4.31Å; I112-I348 HydrophobicContact CG1-CG2 4.42Å; I112-I348 HydrophobicContact CG2-CG2 4.14Å; M344-I348 WeakPolarHBondContact O-CB 3.29Å; M344-I348 WeakPolarHBondContact O-CD1 3.27Å; M344-I348 VanDerWaalsContact O-CG1 3.24Å; M344-I348 WeakPolarHBondContact O-CG1 3.28Å; M344-I348 PolarHBondContact O-N 3.07Å; L345-I348 PolarHBondContact O-N 2.89Å; Q346-I348 VanDerWaalsContact C-N 3.3Å; Q346-I348 PolarHBondContact O-N 3.01Å; I348-I350 VanDerWaalsContact C-N 3.32Å; I348-I350 PolarHBondContact O-N 2.83Å; I348-L352 HydrophobicContact CG1-CD1 4.37Å; I348-L352 HydrophobicContact CG2-CD1 4.15Å; I348-L352 VanDerWaalsContact O-CB 3.3Å; I348-L352 WeakPolarHBondContact O-CB 3.31Å; I348-L352 PolarHBondContact O-N 3.45Å; I348-L352 VanDerWaalsContact O-N 3.1Å |
| 349 | C | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -65 | -37.6 | -177.2 | -64.6 | 0 | 0 | 0 | 0 | 112.5 | R20 L81 F110 L345 Q346 | R20-C349 PolarHBondContact NE-O 3.07Å; R20-C349 PolarHBondContact NH2-O 3.05Å; R20-C349 VanDerWaalsContact NH2-O 3.08Å; L81-C349 HydrophobicContact CD1-CB 3.56Å; L81-C349 HydrophobicContact CD2-CB 4.45Å; L81-C349 HydrophobicContact CG-CB 3.99Å; F110-C349 HydrophobicContact CD1-CB 4.1Å; F110-C349 HydrophobicContact CD2-CB 4.38Å; F110-C349 HydrophobicContact CE1-CB 4.16Å; F110-C349 HydrophobicContact CE2-CB 4.47Å; F110-C349 HydrophobicContact CG-CB 4.21Å; F110-C349 HydrophobicContact CZ-CB 4.33Å; L345-C349 PolarHBondContact O-N 3.01Å; L345-C349 PolarHBondContact O-SG 3.43Å; Q346-C349 PolarHBondContact O-N 3.01Å |
| 350 | I | 96.1 | Very high | 95.2 | Very high | 6 Ų | 6 | 12.1 Ų | 12.1 | 3% | 0.031 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -74.2 | -43.4 | -176.2 | -71.5 | 169.9 | 0 | 0 | 0 | 112 | L81 Y88 V89 R90 K237 Q346 M347 I348 | L81-I350 HydrophobicContact CD1-CG1 4.37Å; Y88-I350 WeakPolarHBondContact O-CG2 3.39Å; V89-I350 HydrophobicContact CG2-CG1 4.46Å; R90-I350 WeakPolarHBondContact CB-O 3.45Å; R90-I350 HydrophobicContact CG-CG2 4.2Å; R90-I350 PolarHBondContact N-O 2.85Å; K237-I350 HydrophobicContact CD-CD1 4.24Å; Q346-I350 HydrophobicContact CB-CD1 4.48Å; Q346-I350 VanDerWaalsContact O-CB 3.31Å; Q346-I350 WeakPolarHBondContact O-CB 3.3Å; Q346-I350 WeakPolarHBondContact O-CD1 3.38Å; Q346-I350 WeakPolarHBondContact O-CG1 3.49Å; Q346-I350 PolarHBondContact O-N 2.86Å; M347-I350 PolarHBondContact O-N 3.21Å; I348-I350 VanDerWaalsContact C-N 3.32Å; I348-I350 PolarHBondContact O-N 2.83Å |
| 351 | H | 96.3 | Very high | 95.3 | Very high | 10 Ų | 10 | 13.3 Ų | 13.3 | 5% | 0.046 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -106.3 | -29.8 | -166.1 | -69.2 | -74.6 | 0 | 0 | 0 | 114.9 | K164 V166 I220 G221 S222 M347 | K164-H351 WeakPolarHBondContact CE-O 3.45Å; K164-H351 PolarHBondContact NZ-O 2.54Å; V166-H351 HydrophobicContact CG1-CB 3.62Å; I220-H351 PolarHBondContact O-CE1 2.81Å; I220-H351 PolarHBondContact O-NE2 3.21Å; G221-H351 PolarHBondContact O-NE2 3.19Å; S222-H351 PolarHBondContact N-NE2 2.96Å; M347-H351 WeakPolarHBondContact O-CB 3.36Å; M347-H351 PolarHBondContact O-CD2 2.81Å; M347-H351 PolarHBondContact O-N 2.71Å |
| 352 | L | 96.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 13 Ų | 13 | 1% | 0.01 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -80 | 145.9 | 179.5 | -61.2 | -171.5 | 0 | 0 | 0 | 111 | R20 M22 K164 V166 I348 | R20-L352 WeakPolarHBondContact CD-O 3.32Å; R20-L352 PolarHBondContact NE-O 2.85Å; M22-L352 HydrophobicContact CB-CD1 3.67Å; M22-L352 HydrophobicContact CG-CD1 4.4Å; M22-L352 HydrophobicContact SD-CD1 4.38Å; K164-L352 WeakPolarHBondContact O-CD2 3.11Å; V166-L352 HydrophobicContact CB-CD2 4.41Å; V166-L352 HydrophobicContact CG1-CD2 3.71Å; V166-L352 HydrophobicContact CG1-CG 4.36Å; V166-L352 HydrophobicContact CG2-CD2 3.98Å; V166-L352 HydrophobicContact CG2-CG 4.35Å; I348-L352 HydrophobicContact CG1-CD1 4.37Å; I348-L352 HydrophobicContact CG2-CD1 4.15Å; I348-L352 VanDerWaalsContact O-CB 3.3Å; I348-L352 WeakPolarHBondContact O-CB 3.31Å; I348-L352 PolarHBondContact O-N 3.45Å; I348-L352 VanDerWaalsContact O-N 3.1Å |
| 353 | P | 96.6 | Very high | 95.7 | Very high | 6 Ų | 6 | 11.5 Ų | 11.5 | 4% | 0.039 | 6% | 0.056 | C | C | . | . | P | Polyproline II helix | trans | -79.5 | 151.3 | -175.9 | 31.8 | -32.1 | 0 | 0 | 0 | 111.9 | D135 K164 T357 A358 | D135-P353 HydrophobicContact CB-CG 4.17Å; K164-P353 HydrophobicContact CB-CG 4.23Å; P353-T357 HydrophobicContact CB-CG2 4.4Å; P353-A358 HydrophobicContact CB-CB 4.41Å; P353-A358 HydrophobicContact CG-CB 4.23Å |
| 354 | S | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.077 | C | C | . | . | P | Polyproline II helix | trans | -68.5 | 155.9 | 163.6 | 69.6 | 0 | 0 | 0 | 0 | 111.8 | K17 V19 Q94 V356 T357 A358 | K17-S354 VanDerWaalsContact O-CB 3.28Å; K17-S354 WeakPolarHBondContact O-CB 3.47Å; V19-S354 WeakPolarHBondContact O-CA 3.33Å; Q94-S354 PolarHBondContact OE1-OG 3.49Å; S354-V356 PolarHBondContact O-N 3.4Å; S354-T357 PolarHBondContact O-N 3Å; S354-T357 PolarHBondContact OG-N 3.21Å; S354-T357 PolarHBondContact OG-OG1 3.42Å; S354-A358 WeakPolarHBondContact O-CB 3.39Å; S354-A358 PolarHBondContact O-N 2.8Å |
| 355 | P | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -55.8 | -34.5 | 173.2 | 22.1 | -35.4 | 0 | 0 | 0 | 112.6 | K16 V19 T357 A358 Q359 R409 | K16-P355 VanDerWaalsContact O-CD 3.29Å; K16-P355 WeakPolarHBondContact O-CD 3.34Å; K16-P355 VanDerWaalsContact O-CG 3.27Å; K16-P355 WeakPolarHBondContact O-CG 3.33Å; V19-P355 HydrophobicContact CB-CG 4.01Å; V19-P355 HydrophobicContact CG1-CG 4.28Å; V19-P355 VanDerWaalsContact O-CD 3.31Å; V19-P355 WeakPolarHBondContact O-CD 3.36Å; P355-T357 VanDerWaalsContact C-N 3.27Å; P355-T357 PolarHBondContact O-N 3.35Å; P355-A358 PolarHBondContact O-N 3.25Å; P355-Q359 VanDerWaalsContact O-CB 3.22Å; P355-Q359 WeakPolarHBondContact O-CB 3.36Å; P355-Q359 WeakPolarHBondContact O-CG 3.43Å; P355-Q359 PolarHBondContact O-N 2.85Å; P355-R409 VanDerWaalsContact CB-NH2 3.29Å |
| 356 | V | 96.6 | Very high | 95.5 | Very high | 21 Ų | 21 | 17.8 Ų | 17.8 | 13% | 0.127 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.1 | -36.4 | 176.9 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | K16 K17 S354 K360 C382 | K16-V356 HydrophobicContact CB-CG2 3.57Å; K17-V356 HydrophobicContact CG-CG2 4.22Å; S354-V356 PolarHBondContact O-N 3.4Å; V356-K360 WeakPolarHBondContact O-CG 3.45Å; V356-C382 HydrophobicContact CG2-CB 4.25Å |
| 357 | T | 96 | Very high | 95.5 | Very high | 30 Ų | 30 | 16.4 Ų | 16.4 | 18% | 0.184 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -82.6 | -46.1 | 177.8 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | E92 Q94 P353 S354 P355 Q359 K360 Y361 | E92-T357 PolarHBondContact O-OG1 3.42Å; Q94-T357 PolarHBondContact NE2-OG1 3.18Å; P353-T357 HydrophobicContact CB-CG2 4.4Å; S354-T357 PolarHBondContact O-N 3Å; S354-T357 PolarHBondContact OG-N 3.21Å; S354-T357 PolarHBondContact OG-OG1 3.42Å; P355-T357 VanDerWaalsContact C-N 3.27Å; P355-T357 PolarHBondContact O-N 3.35Å; T357-Q359 PolarHBondContact O-N 2.83Å; T357-K360 WeakPolarHBondContact O-CB 3.44Å; T357-K360 PolarHBondContact O-N 3.23Å; T357-Y361 WeakPolarHBondContact O-CD1 3.39Å |
| 358 | A | 95.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.7 | -43.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D135 P353 S354 P355 K360 Y361 R362 | D135-A358 HydrophobicContact CB-CB 3.67Å; D135-A358 VanDerWaalsContact CG-CB 3.5Å; D135-A358 WeakPolarHBondContact OD1-CB 3.39Å; P353-A358 HydrophobicContact CB-CB 4.41Å; P353-A358 HydrophobicContact CG-CB 4.23Å; S354-A358 WeakPolarHBondContact O-CB 3.39Å; S354-A358 PolarHBondContact O-N 2.8Å; P355-A358 PolarHBondContact O-N 3.25Å; A358-K360 PolarHBondContact O-N 2.94Å; A358-Y361 VanDerWaalsContact CA-CE1 3.45Å; A358-Y361 VanDerWaalsContact CA-CZ 3.5Å; A358-Y361 HydrophobicContact CB-CE1 4.38Å; A358-Y361 WeakPolarHBondContact O-CD2 3.3Å; A358-Y361 PolarHBondContact O-N 3.07Å; A358-R362 WeakPolarHBondContact O-CB 3.44Å; A358-R362 VanDerWaalsContact O-CG 3.25Å; A358-R362 WeakPolarHBondContact O-CG 3.35Å; A358-R362 PolarHBondContact O-N 3.13Å |
| 359 | Q | 95.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.4 | -28.2 | -177.3 | -71.9 | 174.6 | -157.7 | 0 | 0 | 113.3 | P355 T357 Y361 R362 T363 M379 C382 F411 | P355-Q359 VanDerWaalsContact O-CB 3.22Å; P355-Q359 WeakPolarHBondContact O-CB 3.36Å; P355-Q359 WeakPolarHBondContact O-CG 3.43Å; P355-Q359 PolarHBondContact O-N 2.85Å; T357-Q359 PolarHBondContact O-N 2.83Å; Q359-Y361 PolarHBondContact O-N 3.47Å; Q359-R362 PolarHBondContact O-N 2.54Å; Q359-T363 PolarHBondContact O-N 2.71Å; Q359-T363 PolarHBondContact O-OG1 3.33Å; Q359-M379 VanDerWaalsContact CB-O 3.31Å; Q359-M379 WeakPolarHBondContact CB-O 3.09Å; Q359-M379 PolarHBondContact NE2-O 3.5Å; Q359-C382 PolarHBondContact NE2-SG 2.81Å; Q359-C382 VanDerWaalsContact NE2-SG 3.44Å; Q359-F411 HydrophobicContact CG-CD1 4.1Å; Q359-F411 PolarHBondContact NE2-O 2.81Å |
| 360 | K | 95.3 | Very high | 95 | Very high | 94 Ų | 94 | 23 Ų | 23 | 41% | 0.409 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -55.7 | -41.5 | 177.5 | -71.8 | 178.1 | -180 | -177.1 | 0 | 113 | V356 T357 A358 K380 | V356-K360 WeakPolarHBondContact O-CG 3.45Å; T357-K360 WeakPolarHBondContact O-CB 3.44Å; T357-K360 PolarHBondContact O-N 3.23Å; A358-K360 PolarHBondContact O-N 2.94Å; K360-K380 WeakPolarHBondContact CG-O 3.21Å |
| 361 | Y | 93.9 | Very high | 94.9 | Very high | 28 Ų | 28 | 26.8 Ų | 26.8 | 11% | 0.11 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -97.7 | -17.4 | 179.1 | 61.6 | -106.3 | 0 | 0 | 0 | 112.9 | R162 P210 M211 T357 A358 Q359 | R162-Y361 HydrophobicContact CB-CD2 4.08Å; R162-Y361 HydrophobicContact CB-CE2 4.04Å; R162-Y361 WeakPolarHBondContact CD-O 3.39Å; R162-Y361 PolarHBondContact NH1-O 3.17Å; R162-Y361 WeakPolarHBondContact O-CE2 3.49Å; P210-Y361 VanDerWaalsContact O-CB 3.31Å; P210-Y361 WeakPolarHBondContact O-CB 3.38Å; M211-Y361 HydrophobicContact CG-CD2 3.7Å; M211-Y361 HydrophobicContact CG-CE2 3.62Å; M211-Y361 HydrophobicContact CG-CG 4.33Å; M211-Y361 HydrophobicContact SD-CE2 4.09Å; T357-Y361 WeakPolarHBondContact O-CD1 3.39Å; A358-Y361 VanDerWaalsContact CA-CE1 3.45Å; A358-Y361 VanDerWaalsContact CA-CZ 3.5Å; A358-Y361 HydrophobicContact CB-CE1 4.38Å; A358-Y361 WeakPolarHBondContact O-CD2 3.3Å; A358-Y361 PolarHBondContact O-N 3.07Å; Q359-Y361 PolarHBondContact O-N 3.47Å |
| 362 | R | 95.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -87.8 | -26.6 | -179.9 | -66 | -174.2 | 74.2 | -145.9 | 4 | 114.3 | L131 R132 T134 D135 E161 R162 I163 A358 Q359 E364 L365 L366 | L131-R362 PolarHBondContact O-NH2 3.45Å; R132-R362 PolarHBondContact O-NH2 3.11Å; T134-R362 PolarHBondContact O-NH1 2.93Å; D135-R362 IonicContact OD1-NH1 3.72Å; E161-R362 PolarHBondContact O-NE 3.42Å; E161-R362 PolarHBondContact O-NH2 2.84Å; R162-R362 HydrophobicContact CB-CG 3.95Å; R162-R362 WeakPolarHBondContact O-CD 3.24Å; I163-R362 VanDerWaalsContact CD1-CZ 3.49Å; A358-R362 WeakPolarHBondContact O-CB 3.44Å; A358-R362 VanDerWaalsContact O-CG 3.25Å; A358-R362 WeakPolarHBondContact O-CG 3.35Å; A358-R362 PolarHBondContact O-N 3.13Å; Q359-R362 PolarHBondContact O-N 2.54Å; R362-E364 VanDerWaalsContact C-N 3.29Å; R362-E364 PolarHBondContact O-N 3.49Å; R362-L365 WeakPolarHBondContact O-CB 3.47Å; R362-L365 PolarHBondContact O-N 2.83Å; R362-L366 HydrophobicContact CB-CD1 3.93Å; R362-L366 HydrophobicContact CB-CG 4.38Å; R362-L366 VanDerWaalsContact O-CG 3.31Å; R362-L366 WeakPolarHBondContact O-CG 3.44Å; R362-L366 PolarHBondContact O-N 3.32Å |
| 363 | T | 96 | Very high | 94.8 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.012 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -54.1 | -44.3 | -177.4 | -63.8 | 0 | 0 | 0 | 0 | 112.9 | Q359 L365 L366 Y367 A376 M379 K380 | Q359-T363 PolarHBondContact O-N 2.71Å; Q359-T363 PolarHBondContact O-OG1 3.33Å; T363-L365 VanDerWaalsContact C-N 3.28Å; T363-L365 PolarHBondContact O-N 3.44Å; T363-L366 PolarHBondContact O-N 3.21Å; T363-L366 VanDerWaalsContact O-N 3.13Å; T363-Y367 WeakPolarHBondContact O-CB 3.27Å; T363-Y367 PolarHBondContact O-N 2.92Å; T363-A376 HydrophobicContact CG2-CB 4.32Å; T363-M379 HydrophobicContact CG2-CB 3.84Å; T363-M379 HydrophobicContact CG2-CE 4.47Å; T363-K380 WeakPolarHBondContact OG1-CA 3.46Å; T363-K380 PolarHBondContact OG1-N 2.86Å |
| 364 | E | 92.4 | Very high | 94.8 | Very high | 103 Ų | 103 | 38.7 Ų | 38.7 | 48% | 0.481 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.7 | -37.4 | 178.4 | -178.4 | -163 | -158.9 | 0 | 0 | 113 | R162 R362 Q371 R489 | R162-E364 IonicContact CZ-OE2 3.6Å; R162-E364 IonicContact NH1-OE2 3.82Å; R162-E364 PolarHBondContact NH1-OE2 3.05Å; R162-E364 IonicContact NH2-OE2 3.24Å; R162-E364 PolarHBondContact NH2-OE2 2.83Å; R362-E364 VanDerWaalsContact C-N 3.29Å; R362-E364 PolarHBondContact O-N 3.49Å; E364-Q371 VanDerWaalsContact CA-OE1 3.32Å; E364-R489 PolarHBondContact O-NH2 3.45Å |
| 365 | L | 90.5 | Very high | 94.7 | Very high | 34 Ų | 34 | 38.7 Ų | 38.7 | 18% | 0.178 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.2 | -40.7 | 176.3 | 175.8 | 68.7 | 0 | 0 | 0 | 111.2 | G160 R162 R362 T363 R489 | G160-L365 WeakPolarHBondContact O-CD2 3.32Å; R162-L365 HydrophobicContact CB-CD2 4.12Å; R162-L365 HydrophobicContact CG-CD2 3.88Å; R362-L365 WeakPolarHBondContact O-CB 3.47Å; R362-L365 PolarHBondContact O-N 2.83Å; T363-L365 VanDerWaalsContact C-N 3.28Å; T363-L365 PolarHBondContact O-N 3.44Å; L365-R489 WeakPolarHBondContact O-CD 3.43Å; L365-R489 PolarHBondContact O-NE 2.83Å; L365-R489 VanDerWaalsContact O-NE 3.17Å; L365-R489 PolarHBondContact O-NH1 2.87Å |
| 366 | L | 94.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -90 | -30.5 | -165.6 | -65 | 177.9 | 0 | 0 | 0 | 113.8 | R132 R362 T363 F411 M488 R489 | R132-L366 VanDerWaalsContact CD-CD2 3.41Å; R362-L366 HydrophobicContact CB-CD1 3.93Å; R362-L366 HydrophobicContact CB-CG 4.38Å; R362-L366 VanDerWaalsContact O-CG 3.31Å; R362-L366 WeakPolarHBondContact O-CG 3.44Å; R362-L366 PolarHBondContact O-N 3.32Å; T363-L366 PolarHBondContact O-N 3.21Å; T363-L366 VanDerWaalsContact O-N 3.13Å; L366-F411 HydrophobicContact CD1-CD1 4.32Å; L366-F411 HydrophobicContact CD1-CE1 3.51Å; L366-F411 HydrophobicContact CD1-CZ 3.85Å; L366-M488 HydrophobicContact CB-CE 3.75Å; L366-M488 HydrophobicContact CD1-CE 4.14Å; L366-M488 HydrophobicContact CG-CE 4.48Å; L366-M488 CarbonylContact O-C 3.57Å; L366-M488 WeakPolarHBondContact O-CA 3.38Å; L366-M488 WeakPolarHBondContact O-CB 3.04Å; L366-R489 PolarHBondContact O-N 3.21Å |
| 367 | Y | 95.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -100 | 130.7 | -174.2 | -174.6 | -124.2 | 0 | 0 | 0 | 111.2 | T363 D373 A375 A376 M379 M389 H486 | T363-Y367 WeakPolarHBondContact O-CB 3.27Å; T363-Y367 PolarHBondContact O-N 2.92Å; Y367-D373 WeakPolarHBondContact CE1-OD1 3.17Å; Y367-D373 WeakPolarHBondContact CE1-OD2 3.37Å; Y367-D373 PolarHBondContact OH-OD2 3.37Å; Y367-A375 HydrophobicContact CE2-CB 4.48Å; Y367-A376 HydrophobicContact CD1-CB 3.75Å; Y367-A376 HydrophobicContact CE1-CB 3.85Å; Y367-M379 HydrophobicContact CD2-SD 4.2Å; Y367-M379 HydrophobicContact CG-SD 4.28Å; Y367-M389 HydrophobicContact CD2-CE 3.95Å; Y367-M389 HydrophobicContact CE2-CE 3.63Å; Y367-H486 HydrophobicContact CE2-CB 3.8Å; Y367-H486 WeakPolarHBondContact CE2-O 3.18Å; Y367-H486 PolarHBondContact OH-N 3.17Å; Y367-H486 VanDerWaalsContact OH-N 3.16Å |
| 368 | E | 92.6 | Very high | 94.9 | Very high | 77 Ų | 77 | 40.4 Ų | 40.4 | 36% | 0.36 | 20% | 0.202 | S | C | . | . | trans | -82.9 | -14.9 | 179 | -65 | -179.5 | 171.1 | 0 | 0 | 113.4 | H486 N487 R489 | E368-H486 HydrophobicContact CB-CB 4.4Å; E368-N487 VanDerWaalsContact CB-O 3.24Å; E368-N487 WeakPolarHBondContact CB-O 3.46Å; E368-N487 WeakPolarHBondContact CG-O 2.83Å; E368-N487 PolarHBondContact N-O 2.98Å; E368-R489 HydrophobicContact CG-CB 4.37Å; E368-R489 HydrophobicContact CG-CG 3.48Å; E368-R489 VanDerWaalsContact CG-CG 3.48Å; E368-R489 WeakPolarHBondContact OE1-CA 3.42Å | ||
| 369 | G | 91.9 | Very high | 94.9 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 7% | 0.072 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -81.1 | 176.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q371 | G369-Q371 PolarHBondContact O-N 3.36Å; G369-Q371 PolarHBondContact O-NE2 3.48Å |
| 370 | P | 93.9 | Very high | 95 | Very high | 60 Ų | 60 | 45.4 Ų | 45.4 | 39% | 0.39 | 22% | 0.224 | S | C | . | . | trans | -55.8 | 135 | 174.4 | -21.3 | 32.5 | 0 | 0 | 0 | 111.3 | D372 D373 A376 | P370-D372 WeakPolarHBondContact CB-OD1 3.34Å; P370-D372 PolarHBondContact O-N 2.87Å; P370-D373 HydrophobicContact CB-CB 4.37Å; P370-D373 VanDerWaalsContact O-CG 3.31Å; P370-D373 PolarHBondContact O-N 2.98Å; P370-A376 VanDerWaalsContact O-CB 3.29Å; P370-A376 WeakPolarHBondContact O-CB 3.28Å | ||
| 371 | Q | 94.4 | Very high | 95.1 | Very high | 84 Ų | 84 | 45.2 Ų | 45.2 | 39% | 0.393 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -6.8 | -175.5 | -63 | -60.9 | -55.7 | 0 | 0 | 113.7 | E364 G369 | E364-Q371 VanDerWaalsContact CA-OE1 3.32Å; G369-Q371 PolarHBondContact O-N 3.36Å; G369-Q371 PolarHBondContact O-NE2 3.48Å |
| 372 | D | 94.2 | Very high | 95.2 | Very high | 130 Ų | 130 | 43.9 Ų | 43.9 | 70% | 0.695 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | 0.3 | 178 | 61.2 | -24.8 | 0 | 0 | 0 | 113.3 | P370 I377 | P370-D372 WeakPolarHBondContact CB-OD1 3.34Å; P370-D372 PolarHBondContact O-N 2.87Å; D372-I377 VanDerWaalsContact O-CD1 3.3Å; D372-I377 WeakPolarHBondContact O-CD1 3.35Å |
| 373 | D | 95.2 | Very high | 95.3 | Very high | 23 Ų | 23 | 46.6 Ų | 46.6 | 12% | 0.123 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -75.5 | 166 | 175.2 | 82.6 | 14.6 | 0 | 0 | 0 | 112.6 | Y367 P370 A375 A376 I377 F482 | Y367-D373 WeakPolarHBondContact CE1-OD1 3.17Å; Y367-D373 WeakPolarHBondContact CE1-OD2 3.37Å; Y367-D373 PolarHBondContact OH-OD2 3.37Å; P370-D373 HydrophobicContact CB-CB 4.37Å; P370-D373 VanDerWaalsContact O-CG 3.31Å; P370-D373 PolarHBondContact O-N 2.98Å; D373-A375 VanDerWaalsContact C-N 3.26Å; D373-A375 PolarHBondContact O-N 3.04Å; D373-A375 WeakPolarHBondContact OD1-CA 3.1Å; D373-A375 WeakPolarHBondContact OD1-CB 3.15Å; D373-A375 PolarHBondContact OD1-N 3.4Å; D373-A376 PolarHBondContact O-N 2.84Å; D373-A376 WeakPolarHBondContact OD1-CB 3.43Å; D373-A376 PolarHBondContact OD1-N 3.29Å; D373-I377 WeakPolarHBondContact O-CB 3.39Å; D373-I377 VanDerWaalsContact O-CG1 3.29Å; D373-I377 WeakPolarHBondContact O-CG1 3.43Å; D373-I377 PolarHBondContact O-N 2.67Å; D373-F482 HydrophobicContact CB-CE1 4.49Å |
| 374 | E | 96.6 | Very high | 95.4 | Very high | 116 Ų | 116 | 47.8 Ų | 47.8 | 54% | 0.542 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60 | -36.3 | -177.2 | -166.4 | -175.4 | 167.3 | 0 | 0 | 112.4 | A378 P387 F482 | E374-A378 WeakPolarHBondContact O-CB 3.3Å; E374-A378 PolarHBondContact O-N 3.17Å; E374-P387 HydrophobicContact CG-CG 4.01Å; E374-F482 HydrophobicContact CB-CE2 4.11Å; E374-F482 HydrophobicContact CB-CZ 4.25Å |
| 375 | A | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.3 | -46.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y367 D373 A378 M379 P387 M389 F482 | Y367-A375 HydrophobicContact CE2-CB 4.48Å; D373-A375 VanDerWaalsContact C-N 3.26Å; D373-A375 PolarHBondContact O-N 3.04Å; D373-A375 WeakPolarHBondContact OD1-CA 3.1Å; D373-A375 WeakPolarHBondContact OD1-CB 3.15Å; D373-A375 PolarHBondContact OD1-N 3.4Å; A375-A378 PolarHBondContact O-N 2.95Å; A375-M379 WeakPolarHBondContact O-CB 3.33Å; A375-M379 VanDerWaalsContact O-CG 3.23Å; A375-M379 WeakPolarHBondContact O-CG 3.25Å; A375-M379 PolarHBondContact O-N 2.92Å; A375-P387 HydrophobicContact CB-CG 4.45Å; A375-M389 HydrophobicContact CB-CE 4.39Å; A375-M389 HydrophobicContact CB-CG 3.93Å; A375-M389 HydrophobicContact CB-SD 3.82Å; A375-F482 HydrophobicContact CB-CD1 3.63Å; A375-F482 HydrophobicContact CB-CE1 4.12Å; A375-F482 HydrophobicContact CB-CG 4.37Å |
| 376 | A | 97 | Very high | 95.9 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | T363 Y367 P370 D373 A378 M379 K380 | T363-A376 HydrophobicContact CG2-CB 4.32Å; Y367-A376 HydrophobicContact CD1-CB 3.75Å; Y367-A376 HydrophobicContact CE1-CB 3.85Å; P370-A376 VanDerWaalsContact O-CB 3.29Å; P370-A376 WeakPolarHBondContact O-CB 3.28Å; D373-A376 PolarHBondContact O-N 2.84Å; D373-A376 WeakPolarHBondContact OD1-CB 3.43Å; D373-A376 PolarHBondContact OD1-N 3.29Å; A376-A378 PolarHBondContact O-N 2.78Å; A376-M379 PolarHBondContact O-N 2.98Å; A376-K380 VanDerWaalsContact O-CB 3.26Å; A376-K380 WeakPolarHBondContact O-CB 3.4Å; A376-K380 PolarHBondContact O-N 2.93Å |
| 377 | I | 97.8 | Very high | 96 | Very high | 82 Ų | 82 | 49.2 Ų | 49.2 | 42% | 0.421 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62 | -46 | 177.3 | -67.1 | 169.3 | 0 | 0 | 0 | 110.3 | D372 D373 K380 N381 | D372-I377 VanDerWaalsContact O-CD1 3.3Å; D372-I377 WeakPolarHBondContact O-CD1 3.35Å; D373-I377 WeakPolarHBondContact O-CB 3.39Å; D373-I377 VanDerWaalsContact O-CG1 3.29Å; D373-I377 WeakPolarHBondContact O-CG1 3.43Å; D373-I377 PolarHBondContact O-N 2.67Å; I377-K380 PolarHBondContact O-N 3.03Å; I377-N381 WeakPolarHBondContact O-CB 3.49Å; I377-N381 PolarHBondContact O-N 3.17Å; I377-N381 PolarHBondContact O-ND2 2.89Å |
| 378 | A | 97.9 | Very high | 96.2 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 3% | 0.033 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64 | -42.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E374 A375 A376 N381 C382 D383 P387 | E374-A378 WeakPolarHBondContact O-CB 3.3Å; E374-A378 PolarHBondContact O-N 3.17Å; A375-A378 PolarHBondContact O-N 2.95Å; A376-A378 PolarHBondContact O-N 2.78Å; A378-N381 PolarHBondContact O-N 3.07Å; A378-C382 PolarHBondContact O-N 3.04Å; A378-D383 HydrophobicContact CB-CB 4.27Å; A378-D383 PolarHBondContact O-N 2.94Å; A378-P387 HydrophobicContact CB-CG 4.08Å |
| 379 | M | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.3 | -49.1 | 174.4 | -75.7 | 177.7 | 66 | 0 | 0 | 111.1 | Q359 T363 Y367 A375 A376 N381 C382 M389 F411 M488 | Q359-M379 VanDerWaalsContact CB-O 3.31Å; Q359-M379 WeakPolarHBondContact CB-O 3.09Å; Q359-M379 PolarHBondContact NE2-O 3.5Å; T363-M379 HydrophobicContact CG2-CB 3.84Å; T363-M379 HydrophobicContact CG2-CE 4.47Å; Y367-M379 HydrophobicContact CD2-SD 4.2Å; Y367-M379 HydrophobicContact CG-SD 4.28Å; A375-M379 WeakPolarHBondContact O-CB 3.33Å; A375-M379 VanDerWaalsContact O-CG 3.23Å; A375-M379 WeakPolarHBondContact O-CG 3.25Å; A375-M379 PolarHBondContact O-N 2.92Å; A376-M379 PolarHBondContact O-N 2.98Å; M379-N381 PolarHBondContact O-N 3.34Å; M379-C382 PolarHBondContact O-N 3.05Å; M379-M389 HydrophobicContact CG-CB 3.69Å; M379-M389 HydrophobicContact CG-CG 3.83Å; M379-M389 HydrophobicContact SD-CB 3.74Å; M379-M389 HydrophobicContact SD-CE 4.02Å; M379-M389 HydrophobicContact SD-CG 3.81Å; M379-F411 HydrophobicContact CE-CB 4Å; M379-F411 HydrophobicContact CE-CD1 4.4Å; M379-F411 HydrophobicContact CE-CG 4.16Å; M379-F411 HydrophobicContact CG-CB 3.99Å; M379-M488 HydrophobicContact CE-CE 3.6Å; M379-M488 HydrophobicContact CE-CG 4.4Å; M379-M488 HydrophobicContact CE-SD 3.94Å |
| 380 | K | 97 | Very high | 96.7 | Very high | 106 Ų | 106 | 45.2 Ų | 45.2 | 46% | 0.461 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.9 | -36.2 | -179.5 | -165.7 | 177.7 | -173.4 | 169.5 | 0 | 112.3 | K360 T363 A376 I377 | K360-K380 WeakPolarHBondContact CG-O 3.21Å; T363-K380 WeakPolarHBondContact OG1-CA 3.46Å; T363-K380 PolarHBondContact OG1-N 2.86Å; A376-K380 VanDerWaalsContact O-CB 3.26Å; A376-K380 WeakPolarHBondContact O-CB 3.4Å; A376-K380 PolarHBondContact O-N 2.93Å; I377-K380 PolarHBondContact O-N 3.03Å |
| 381 | N | 96.8 | Very high | 96.9 | Very high | 90 Ų | 90 | 42.5 Ų | 42.5 | 48% | 0.481 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -2.7 | 179.3 | -68.4 | -32.4 | 0 | 0 | 0 | 113.9 | I377 A378 M379 D383 | I377-N381 WeakPolarHBondContact O-CB 3.49Å; I377-N381 PolarHBondContact O-N 3.17Å; I377-N381 PolarHBondContact O-ND2 2.89Å; A378-N381 PolarHBondContact O-N 3.07Å; M379-N381 PolarHBondContact O-N 3.34Å; N381-D383 HydrophobicContact CB-CB 4.37Å; N381-D383 PolarHBondContact O-N 2.69Å |
| 382 | C | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 44.9 | -169.1 | -166.9 | 0 | 0 | 0 | 0 | 110.7 | K16 V356 Q359 A378 M379 S460 | K16-C382 PolarHBondContact NZ-O 3.16Å; V356-C382 HydrophobicContact CG2-CB 4.25Å; Q359-C382 PolarHBondContact NE2-SG 2.81Å; Q359-C382 VanDerWaalsContact NE2-SG 3.44Å; A378-C382 PolarHBondContact O-N 3.04Å; M379-C382 PolarHBondContact O-N 3.05Å; C382-S460 PolarHBondContact O-OG 3.02Å; C382-S460 VanDerWaalsContact O-OG 3.1Å |
| 383 | D | 97.5 | Very high | 96.8 | Very high | 57 Ų | 57 | 32.3 Ų | 32.3 | 31% | 0.305 | 17% | 0.169 | S | C | . | . | trans | -77.9 | 126.4 | -172.8 | -173.1 | 6.2 | 0 | 0 | 0 | 110.2 | A378 N381 N385 G386 S412 G413 | A378-D383 HydrophobicContact CB-CB 4.27Å; A378-D383 PolarHBondContact O-N 2.94Å; N381-D383 HydrophobicContact CB-CB 4.37Å; N381-D383 PolarHBondContact O-N 2.69Å; D383-N385 PolarHBondContact OD1-N 3.29Å; D383-G386 PolarHBondContact OD2-N 2.99Å; D383-S412 CarbonylContact O-C 3.59Å; D383-S412 WeakPolarHBondContact O-CA 3.47Å; D383-G413 PolarHBondContact O-N 2.95Å | ||
| 384 | V | 96.9 | Very high | 96.5 | Very high | 27 Ų | 27 | 31.9 Ų | 31.9 | 16% | 0.164 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -82.3 | -22.7 | -178.7 | 70.7 | 0 | 0 | 0 | 0 | 112.2 | G413 K414 P459 | V384-G413 CarbonylContact O-C 3.46Å; V384-G413 WeakPolarHBondContact O-CA 3.43Å; V384-K414 HydrophobicContact CG2-CD 3.68Å; V384-K414 HydrophobicContact CG2-CG 3.62Å; V384-P459 HydrophobicContact CG2-CB 3.71Å |
| 385 | N | 97.2 | Very high | 96.2 | Very high | 141 Ų | 141 | 26.5 Ų | 26.5 | 75% | 0.754 | 14% | 0.141 | S | C | * | . | S | Bend | trans | -96.6 | -9.6 | -179.8 | -61.2 | -43 | 0 | 0 | 0 | 112.6 | D383 | D383-N385 PolarHBondContact OD1-N 3.29Š|
| 386 | G | 96.2 | Very high | 95.8 | Very high | 17 Ų | 17 | 28 Ų | 28 | 18% | 0.175 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -73.9 | -179.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D383 G413 | D383-G386 PolarHBondContact OD2-N 2.99Å; G386-G413 VanDerWaalsContact O-CA 3.29Å; G386-G413 WeakPolarHBondContact O-CA 3.26Å |
| 387 | P | 97.4 | Very high | 95.2 | Very high | 10 Ų | 10 | 31.1 Ų | 31.1 | 7% | 0.065 | 17% | 0.171 | C | C | . | . | trans | -58.2 | 145.3 | 175.2 | 23.7 | -34.7 | 0 | 0 | 0 | 111.9 | E374 A375 A378 M389 S412 G413 F482 | E374-P387 HydrophobicContact CG-CG 4.01Å; A375-P387 HydrophobicContact CB-CG 4.45Å; A378-P387 HydrophobicContact CB-CG 4.08Å; P387-M389 PolarHBondContact O-N 2.8Å; P387-S412 CarbonylContact O-C 3.51Å; P387-S412 VanDerWaalsContact O-C 3.31Å; P387-S412 WeakPolarHBondContact O-CB 3.44Å; P387-S412 PolarHBondContact O-OG 2.69Å; P387-G413 PolarHBondContact O-N 3.25Å; P387-F482 HydrophobicContact CB-CB 3.67Å; P387-F482 HydrophobicContact CB-CG 4.48Å; P387-F482 HydrophobicContact CG-CB 4.3Å | ||
| 388 | L | 98.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | trans | -63 | 126.4 | 171.8 | 174.7 | 60.4 | 0 | 0 | 0 | 108.4 | M390 V410 S412 V415 M419 A421 I479 S480 T481 | L388-M390 HydrophobicContact CD1-CB 4.11Å; L388-V410 HydrophobicContact CD1-CG1 3.74Å; L388-S412 VanDerWaalsContact CA-O 3.3Å; L388-S412 WeakPolarHBondContact CA-O 3.44Å; L388-V415 HydrophobicContact CD1-CB 4.11Å; L388-V415 HydrophobicContact CD2-CB 4.21Å; L388-V415 HydrophobicContact CD2-CG2 4.29Å; L388-M419 HydrophobicContact CD2-SD 3.88Å; L388-A421 HydrophobicContact CD2-CB 4.43Å; L388-I479 HydrophobicContact CD2-CG2 4.1Å; L388-S480 WeakPolarHBondContact O-CA 3.18Å; L388-S480 WeakPolarHBondContact O-CB 3.46Å; L388-S480 PolarHBondContact O-OG 3.38Å; L388-T481 HydrophobicContact CB-CG2 3.87Å; L388-T481 HydrophobicContact CD2-CG2 4.34Å; L388-T481 PolarHBondContact N-OG1 3.46Å; L388-T481 PolarHBondContact O-N 2.97Å | ||
| 389 | M | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 111.8 | 163.5 | -65.3 | -62 | -66.9 | 0 | 0 | 107.3 | Y367 A375 M379 P387 F411 S412 T478 S480 A485 M488 | Y367-M389 HydrophobicContact CD2-CE 3.95Å; Y367-M389 HydrophobicContact CE2-CE 3.63Å; A375-M389 HydrophobicContact CB-CE 4.39Å; A375-M389 HydrophobicContact CB-CG 3.93Å; A375-M389 HydrophobicContact CB-SD 3.82Å; M379-M389 HydrophobicContact CG-CB 3.69Å; M379-M389 HydrophobicContact CG-CG 3.83Å; M379-M389 HydrophobicContact SD-CB 3.74Å; M379-M389 HydrophobicContact SD-CE 4.02Å; M379-M389 HydrophobicContact SD-CG 3.81Å; P387-M389 PolarHBondContact O-N 2.8Å; M389-F411 WeakPolarHBondContact O-CA 3.23Å; M389-F411 PolarHBondContact O-N 3.26Å; M389-S412 VanDerWaalsContact CB-OG 3.27Å; M389-S412 WeakPolarHBondContact CB-OG 3.5Å; M389-S412 VanDerWaalsContact CG-OG 3.31Å; M389-S412 WeakPolarHBondContact CG-OG 3.29Å; M389-S412 PolarHBondContact N-O 2.89Å; M389-S412 PolarHBondContact N-OG 2.74Å; M389-S412 PolarHBondContact O-N 3.04Å; M389-T478 HydrophobicContact CE-CG2 3.93Å; M389-S480 VanDerWaalsContact SD-CB 3.6Å; M389-S480 PolarHBondContact SD-OG 2.88Å; M389-A485 HydrophobicContact CE-CB 4.39Å; M389-A485 HydrophobicContact SD-CB 4.08Å; M389-M488 HydrophobicContact CE-CG 4.44Å |
| 390 | M | 97.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 137.3 | 178.6 | 170.1 | 172.5 | -165.9 | 0 | 0 | 110.1 | L388 I392 R409 V410 V415 C464 L466 I479 | L388-M390 HydrophobicContact CD1-CB 4.11Å; M390-I392 HydrophobicContact CE-CD1 3.76Å; M390-I392 HydrophobicContact CG-CD1 4.32Å; M390-I392 HydrophobicContact SD-CD1 4.33Å; M390-R409 CarbonylContact C-O 3.58Å; M390-R409 VanDerWaalsContact CA-O 3.22Å; M390-R409 WeakPolarHBondContact CA-O 3.45Å; M390-R409 WeakPolarHBondContact CG-O 3.47Å; M390-V410 HydrophobicContact CG-CG2 4.48Å; M390-V410 HydrophobicContact SD-CG2 4.09Å; M390-V415 HydrophobicContact SD-CB 4.37Å; M390-V415 HydrophobicContact SD-CG1 4.17Å; M390-V415 HydrophobicContact SD-CG2 4.4Å; M390-C464 VanDerWaalsContact CE-SG 3.53Å; M390-L466 HydrophobicContact CE-CD1 3.97Å; M390-L466 HydrophobicContact CE-CD2 4.21Å; M390-L466 HydrophobicContact CE-CG 3.82Å; M390-L466 HydrophobicContact SD-CD1 3.65Å; M390-L466 HydrophobicContact SD-CD2 4.34Å; M390-L466 HydrophobicContact SD-CG 4.11Å; M390-I479 HydrophobicContact CB-CB 4.21Å; M390-I479 PolarHBondContact N-O 3.3Å; M390-I479 PolarHBondContact O-N 3.21Å |
| 391 | Y | 97.2 | Very high | 91.2 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 125.6 | 174.1 | -171.8 | -110.6 | 0 | 0 | 0 | 110.5 | R132 G408 R409 M488 | R132-Y391 HydrophobicContact CB-CE1 4.42Å; R132-Y391 HydrophobicContact CG-CD1 3.68Å; R132-Y391 HydrophobicContact CG-CE1 3.44Å; R132-Y391 VanDerWaalsContact CG-CE1 3.44Å; Y391-G408 CarbonylContact O-C 3.43Å; Y391-G408 WeakPolarHBondContact O-CA 3.17Å; Y391-R409 PolarHBondContact N-O 2.61Å; Y391-R409 PolarHBondContact O-N 3.35Å; Y391-M488 HydrophobicContact CD2-CB 3.75Å; Y391-M488 HydrophobicContact CD2-SD 4.33Å; Y391-M488 HydrophobicContact CE2-CB 4.23Å; Y391-M488 HydrophobicContact CG-SD 4.42Å |
| 392 | I | 95.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 115.7 | 166.9 | -56.8 | -50.6 | 0 | 0 | 0 | 108.2 | M390 M395 A406 L466 L473 S476 G477 I479 | M390-I392 HydrophobicContact CE-CD1 3.76Å; M390-I392 HydrophobicContact CG-CD1 4.32Å; M390-I392 HydrophobicContact SD-CD1 4.33Å; I392-M395 HydrophobicContact CG2-CE 4.04Å; I392-A406 HydrophobicContact CD1-CB 3.9Å; I392-A406 HydrophobicContact CG1-CB 4.16Å; I392-A406 HydrophobicContact CG2-CB 3.81Å; I392-L466 HydrophobicContact CD1-CD1 4.32Å; I392-L473 HydrophobicContact CB-CD1 4.14Å; I392-L473 HydrophobicContact CG1-CD1 3.96Å; I392-S476 WeakPolarHBondContact O-CA 3.21Å; I392-S476 WeakPolarHBondContact O-CB 3.32Å; I392-G477 PolarHBondContact N-O 3.36Å; I392-G477 PolarHBondContact O-N 3.25Å; I392-I479 HydrophobicContact CD1-CD1 3.75Å; I392-I479 HydrophobicContact CG1-CD1 3.72Å; I392-I479 HydrophobicContact CG1-CG1 4.17Å |
| 393 | S | 92 | Very high | 89.6 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -35 | -178.3 | 61.8 | 0 | 0 | 0 | 0 | 112.9 | F407 M491 | S393-F407 PolarHBondContact N-O 2.9Å; S393-F407 PolarHBondContact OG-O 3.26Å; S393-M491 WeakPolarHBondContact O-CE 3.43Å |
| 394 | K | 89.1 | Confident | 89.3 | Confident | 13 Ų | 13 | 41.6 Ų | 41.6 | 6% | 0.057 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 166.4 | -179.3 | 63.8 | 177.2 | -172.3 | 160.3 | 0 | 112.8 | S72 E126 V396 F407 | S72-K394 PolarHBondContact O-NZ 2.96Å; E126-K394 IonicContact OE2-NZ 3.25Å; E126-K394 PolarHBondContact OE2-NZ 3.29Å; K394-V396 HydrophobicContact CG-CG2 4.37Å; K394-F407 HydrophobicContact CG-CB 4.27Å; K394-F407 HydrophobicContact CG-CD1 4.06Å; K394-F407 PolarHBondContact N-O 3.1Å; K394-F407 PolarHBondContact O-N 3.32Å |
| 395 | M | 90.1 | Very high | 89 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.02 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 129.1 | 170.8 | -60.3 | -61.6 | 169.9 | 0 | 0 | 109.9 | I392 F404 Y405 A406 D470 L473 V474 K523 | I392-M395 HydrophobicContact CG2-CE 4.04Å; M395-F404 HydrophobicContact CB-CB 3.97Å; M395-F404 HydrophobicContact CB-CD1 3.79Å; M395-F404 HydrophobicContact CB-CG 4.11Å; M395-F404 HydrophobicContact SD-CB 4.44Å; M395-Y405 WeakPolarHBondContact CA-O 3.47Å; M395-A406 HydrophobicContact CE-CB 4.19Å; M395-A406 HydrophobicContact SD-CB 3.87Å; M395-D470 HydrophobicContact SD-CB 4.28Å; M395-L473 HydrophobicContact CE-CB 3.48Å; M395-L473 VanDerWaalsContact CE-CB 3.48Å; M395-V474 WeakPolarHBondContact CG-O 3.28Å; M395-K523 WeakPolarHBondContact CB-O 3.29Å; M395-K523 HydrophobicContact CG-CB 4.47Å |
| 396 | V | 87.8 | Confident | 88.9 | Confident | 32 Ų | 32 | 35.1 Ų | 35.1 | 19% | 0.194 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 121.6 | 177.4 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | K394 F404 Y405 F407 M447 | K394-V396 HydrophobicContact CG-CG2 4.37Å; V396-F404 CarbonylContact O-C 3.54Å; V396-F404 VanDerWaalsContact O-CA 3.29Å; V396-F404 WeakPolarHBondContact O-CA 3.35Å; V396-Y405 PolarHBondContact N-O 2.91Å; V396-Y405 PolarHBondContact O-N 3.47Å; V396-F407 HydrophobicContact CG2-CB 3.8Å; V396-F407 HydrophobicContact CG2-CG 4.47Å; V396-M447 HydrophobicContact CB-CE 4.33Å; V396-M447 HydrophobicContact CG1-CE 4.03Å; V396-M447 HydrophobicContact CG2-CE 4.47Å |
| 397 | P | 84 | Confident | 88.8 | Confident | 66 Ų | 66 | 34.5 Ų | 34.5 | 43% | 0.429 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55 | 140.7 | 175.6 | -23.5 | 31.8 | 0 | 0 | 0 | 111.9 | F404 | P397-F404 HydrophobicContact CB-CD1 4.41Å; P397-F404 HydrophobicContact CB-CE1 4.28Å; P397-F404 HydrophobicContact CG-CD1 4.19Å; P397-F404 HydrophobicContact CG-CE1 3.89Å |
| 398 | T | 83.1 | Confident | 88.7 | Confident | 26 Ų | 26 | 34 Ų | 34 | 16% | 0.16 | 18% | 0.184 | C | C | . | . | trans | -99.8 | 171.6 | 174.9 | 77.6 | 0 | 0 | 0 | 0 | 111.6 | D400 R403 Y405 | T398-D400 PolarHBondContact O-N 3.27Å; T398-D400 PolarHBondContact OG1-N 2.85Å; T398-D400 VanDerWaalsContact OG1-N 3.1Å; T398-D400 PolarHBondContact OG1-O 2.66Å; T398-R403 HydrophobicContact CG2-CB 4.24Å; T398-R403 WeakPolarHBondContact CG2-O 3.33Å; T398-R403 PolarHBondContact N-O 2.85Å; T398-R403 WeakPolarHBondContact OG1-CB 3.26Å; T398-R403 PolarHBondContact OG1-O 3.4Å; T398-R403 VanDerWaalsContact OG1-O 3.12Å; T398-Y405 HydrophobicContact CG2-CD1 3.89Å; T398-Y405 HydrophobicContact CG2-CD2 3.39Å; T398-Y405 HydrophobicContact CG2-CE1 3.78Å; T398-Y405 HydrophobicContact CG2-CE2 3.27Å; T398-Y405 HydrophobicContact CG2-CG 3.68Å; T398-Y405 VanDerWaalsContact CG2-CZ 3.45Å | ||
| 399 | S | 74.5 | Confident | 88.6 | Confident | 112 Ų | 112 | 33.9 Ų | 33.9 | 78% | 0.783 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -62.5 | -26.3 | 168.7 | 54.2 | 0 | 0 | 0 | 0 | 112.9 | K401 | S399-K401 PolarHBondContact O-N 2.79Š|
| 400 | D | 76.2 | Confident | 88.7 | Confident | 107 Ų | 107 | 33.9 Ų | 33.9 | 57% | 0.572 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -80.7 | 116.1 | 176.9 | -65.6 | -22.3 | 0 | 0 | 0 | 109.6 | T398 G402 R403 | T398-D400 PolarHBondContact O-N 3.27Å; T398-D400 PolarHBondContact OG1-N 2.85Å; T398-D400 VanDerWaalsContact OG1-N 3.1Å; T398-D400 PolarHBondContact OG1-O 2.66Å; D400-G402 PolarHBondContact O-N 2.97Å; D400-G402 VanDerWaalsContact O-N 3.15Å; D400-R403 HydrophobicContact CB-CB 4.18Å; D400-R403 HydrophobicContact CB-CG 4.16Å; D400-R403 PolarHBondContact O-N 2.86Å |
| 401 | K | 72.4 | Confident | 88.7 | Confident | 177 Ų | 177 | 34 Ų | 34 | 77% | 0.77 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 122.9 | -177.4 | -71.4 | -168.5 | 175.3 | -167.3 | 0 | 111.4 | S399 | S399-K401 PolarHBondContact O-N 2.79Š|
| 402 | G | 74 | Confident | 88.7 | Confident | 29 Ų | 29 | 33.9 Ų | 33.9 | 30% | 0.299 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | 3.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D400 | D400-G402 PolarHBondContact O-N 2.97Å; D400-G402 VanDerWaalsContact O-N 3.15Å |
| 403 | R | 86.1 | Confident | 88.8 | Confident | 99 Ų | 99 | 33.9 Ų | 33.9 | 37% | 0.374 | 18% | 0.184 | S | C | . | . | trans | -103.9 | 146.3 | 172.5 | -66.7 | -64.1 | -169.6 | 159.8 | 2 | 111 | T398 D400 | T398-R403 HydrophobicContact CG2-CB 4.24Å; T398-R403 WeakPolarHBondContact CG2-O 3.33Å; T398-R403 PolarHBondContact N-O 2.85Å; T398-R403 WeakPolarHBondContact OG1-CB 3.26Å; T398-R403 PolarHBondContact OG1-O 3.4Å; T398-R403 VanDerWaalsContact OG1-O 3.12Å; D400-R403 HydrophobicContact CB-CB 4.18Å; D400-R403 HydrophobicContact CB-CG 4.16Å; D400-R403 PolarHBondContact O-N 2.86Å | ||
| 404 | F | 90.6 | Very high | 89.1 | Confident | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.035 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 145 | 174.9 | -62.7 | -102.3 | 0 | 0 | 0 | 111.5 | M395 V396 P397 D470 R520 K523 | M395-F404 HydrophobicContact CB-CB 3.97Å; M395-F404 HydrophobicContact CB-CD1 3.79Å; M395-F404 HydrophobicContact CB-CG 4.11Å; M395-F404 HydrophobicContact SD-CB 4.44Å; V396-F404 CarbonylContact O-C 3.54Å; V396-F404 VanDerWaalsContact O-CA 3.29Å; V396-F404 WeakPolarHBondContact O-CA 3.35Å; P397-F404 HydrophobicContact CB-CD1 4.41Å; P397-F404 HydrophobicContact CB-CE1 4.28Å; P397-F404 HydrophobicContact CG-CD1 4.19Å; P397-F404 HydrophobicContact CG-CE1 3.89Å; F404-D470 HydrophobicContact CB-CB 3.81Å; F404-D470 PolarHBondContact N-OD2 3.39Å; F404-D470 VanDerWaalsContact N-OD2 3.13Å; F404-R520 HydrophobicContact CE2-CB 4.31Å; F404-R520 HydrophobicContact CE2-CG 4.15Å; F404-R520 HydrophobicContact CZ-CB 3.99Å; F404-R520 HydrophobicContact CZ-CG 4.32Å; F404-K523 HydrophobicContact CD2-CD 4.4Å; F404-K523 HydrophobicContact CE1-CB 4.41Å; F404-K523 HydrophobicContact CE2-CB 4.45Å; F404-K523 HydrophobicContact CE2-CD 4.29Å; F404-K523 HydrophobicContact CZ-CB 4.26Å |
| 405 | Y | 92.3 | Very high | 89.5 | Confident | 32 Ų | 32 | 36.3 Ų | 36.3 | 13% | 0.125 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 125.9 | 161.8 | -59.8 | -61.1 | 0 | 0 | 0 | 108.9 | M395 V396 T398 F407 V445 M447 V452 L466 V467 | M395-Y405 WeakPolarHBondContact CA-O 3.47Å; V396-Y405 PolarHBondContact N-O 2.91Å; V396-Y405 PolarHBondContact O-N 3.47Å; T398-Y405 HydrophobicContact CG2-CD1 3.89Å; T398-Y405 HydrophobicContact CG2-CD2 3.39Å; T398-Y405 HydrophobicContact CG2-CE1 3.78Å; T398-Y405 HydrophobicContact CG2-CE2 3.27Å; T398-Y405 HydrophobicContact CG2-CG 3.68Å; T398-Y405 VanDerWaalsContact CG2-CZ 3.45Å; Y405-F407 PolarHBondContact O-N 2.89Å; Y405-V445 HydrophobicContact CD1-CG2 3.85Å; Y405-V445 HydrophobicContact CE1-CG1 4.44Å; Y405-V445 HydrophobicContact CE1-CG2 4.09Å; Y405-V445 HydrophobicContact CG-CG2 4.37Å; Y405-M447 HydrophobicContact CD2-CE 4.17Å; Y405-M447 HydrophobicContact CD2-SD 4.5Å; Y405-V452 HydrophobicContact CD2-CG1 4.42Å; Y405-V452 HydrophobicContact CE2-CG1 3.92Å; Y405-V452 HydrophobicContact CE2-CG2 4.24Å; Y405-L466 WeakPolarHBondContact CA-O 3.43Å; Y405-V467 HydrophobicContact CD1-CG2 3.76Å; Y405-V467 HydrophobicContact CE1-CG2 3.66Å |
| 406 | A | 94.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 102.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | I392 M395 G465 L466 V469 | I392-A406 HydrophobicContact CD1-CB 3.9Å; I392-A406 HydrophobicContact CG1-CB 4.16Å; I392-A406 HydrophobicContact CG2-CB 3.81Å; M395-A406 HydrophobicContact CE-CB 4.19Å; M395-A406 HydrophobicContact SD-CB 3.87Å; A406-G465 WeakPolarHBondContact O-CA 3.29Å; A406-L466 HydrophobicContact CB-CB 4.34Å; A406-L466 PolarHBondContact N-O 3.36Å; A406-L466 PolarHBondContact O-N 2.97Å; A406-V469 HydrophobicContact CB-CB 3.69Å; A406-V469 HydrophobicContact CB-CG1 3.81Å; A406-V469 HydrophobicContact CB-CG2 4.47Å |
| 407 | F | 94 | Very high | 90.2 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 130.1 | -175.9 | 176.5 | -106.3 | 0 | 0 | 0 | 111.2 | A74 I115 V133 S393 K394 V396 Y405 M447 I463 | A74-F407 HydrophobicContact CB-CE2 3.87Å; A74-F407 HydrophobicContact CB-CZ 3.69Å; I115-F407 HydrophobicContact CD1-CE1 3.9Å; I115-F407 HydrophobicContact CD1-CZ 3.84Å; V133-F407 HydrophobicContact CG2-CE1 4.07Å; S393-F407 PolarHBondContact N-O 2.9Å; S393-F407 PolarHBondContact OG-O 3.26Å; K394-F407 HydrophobicContact CG-CB 4.27Å; K394-F407 HydrophobicContact CG-CD1 4.06Å; K394-F407 PolarHBondContact N-O 3.1Å; K394-F407 PolarHBondContact O-N 3.32Å; V396-F407 HydrophobicContact CG2-CB 3.8Å; V396-F407 HydrophobicContact CG2-CG 4.47Å; Y405-F407 PolarHBondContact O-N 2.89Å; F407-M447 HydrophobicContact CD2-CG 3.71Å; F407-M447 HydrophobicContact CE2-CB 4.46Å; F407-M447 HydrophobicContact CE2-CG 3.91Å; F407-I463 HydrophobicContact CE2-CB 4.22Å; F407-I463 HydrophobicContact CE2-CD1 4.03Å; F407-I463 HydrophobicContact CZ-CB 4.26Å; F407-I463 HydrophobicContact CZ-CD1 3.84Å |
| 408 | G | 95.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | -171.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y391 I463 C464 | Y391-G408 CarbonylContact O-C 3.43Å; Y391-G408 WeakPolarHBondContact O-CA 3.17Å; G408-I463 VanDerWaalsContact O-CA 3.3Å; G408-I463 WeakPolarHBondContact O-CA 3.43Å; G408-C464 PolarHBondContact N-O 3.38Å; G408-C464 PolarHBondContact O-N 3.18Å |
| 409 | R | 97.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 136.8 | 178.6 | 174 | 165.6 | 170.1 | -176.8 | -3 | 111.7 | V133 D135 P355 M390 Y391 F411 I463 | V133-R409 HydrophobicContact CB-CB 3.96Å; V133-R409 HydrophobicContact CG1-CB 3.89Å; V133-R409 WeakPolarHBondContact O-CD 3.24Å; V133-R409 PolarHBondContact O-NH1 3.06Å; D135-R409 IonicContact OD1-CZ 3.02Å; D135-R409 VanDerWaalsContact OD1-CZ 3.23Å; D135-R409 IonicContact OD1-NH1 3.25Å; D135-R409 PolarHBondContact OD1-NH1 2.92Å; D135-R409 IonicContact OD1-NH2 3.93Å; D135-R409 PolarHBondContact OD1-NH2 3.32Å; D135-R409 IonicContact OD2-CZ 3.08Å; D135-R409 IonicContact OD2-NH1 3.23Å; D135-R409 PolarHBondContact OD2-NH1 3.08Å; D135-R409 IonicContact OD2-NH2 2.74Å; D135-R409 PolarHBondContact OD2-NH2 2.82Å; P355-R409 VanDerWaalsContact CB-NH2 3.29Å; M390-R409 CarbonylContact C-O 3.58Å; M390-R409 VanDerWaalsContact CA-O 3.22Å; M390-R409 WeakPolarHBondContact CA-O 3.45Å; M390-R409 WeakPolarHBondContact CG-O 3.47Å; Y391-R409 PolarHBondContact N-O 2.61Å; Y391-R409 PolarHBondContact O-N 3.35Å; R409-F411 HydrophobicContact CB-CD2 4.4Å; R409-F411 HydrophobicContact CB-CE2 3.88Å; R409-F411 HydrophobicContact CB-CZ 4.32Å; R409-F411 HydrophobicContact CG-CD2 4.15Å; R409-F411 HydrophobicContact CG-CE2 3.92Å; R409-F411 HydrophobicContact CG-CZ 4.15Å; R409-F411 WeakPolarHBondContact O-CD2 3.3Å; R409-I463 HydrophobicContact CB-CG2 4.13Å; R409-I463 HydrophobicContact CG-CG2 4.47Å |
| 410 | V | 98.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 115.8 | 168.7 | -169.6 | 0 | 0 | 0 | 0 | 108.5 | L388 M390 S412 V415 V458 S460 G461 N462 | L388-V410 HydrophobicContact CD1-CG1 3.74Å; M390-V410 HydrophobicContact CG-CG2 4.48Å; M390-V410 HydrophobicContact SD-CG2 4.09Å; V410-S412 VanDerWaalsContact CG1-O 3.28Å; V410-S412 WeakPolarHBondContact CG1-O 3.01Å; V410-V415 HydrophobicContact CG2-CB 4.29Å; V410-V415 HydrophobicContact CG2-CG1 3.58Å; V410-V458 HydrophobicContact CG2-CG1 4.19Å; V410-S460 CarbonylContact O-C 3.54Å; V410-S460 WeakPolarHBondContact O-CA 3.36Å; V410-G461 PolarHBondContact O-N 3.17Å; V410-N462 PolarHBondContact N-O 3.48Å |
| 411 | F | 98 | Very high | 93.3 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -36.3 | 177 | -72.3 | -91.6 | 0 | 0 | 0 | 111.9 | Q359 L366 M379 M389 R409 M488 | Q359-F411 HydrophobicContact CG-CD1 4.1Å; Q359-F411 PolarHBondContact NE2-O 2.81Å; L366-F411 HydrophobicContact CD1-CD1 4.32Å; L366-F411 HydrophobicContact CD1-CE1 3.51Å; L366-F411 HydrophobicContact CD1-CZ 3.85Å; M379-F411 HydrophobicContact CE-CB 4Å; M379-F411 HydrophobicContact CE-CD1 4.4Å; M379-F411 HydrophobicContact CE-CG 4.16Å; M379-F411 HydrophobicContact CG-CB 3.99Å; M389-F411 WeakPolarHBondContact O-CA 3.23Å; M389-F411 PolarHBondContact O-N 3.26Å; R409-F411 HydrophobicContact CB-CD2 4.4Å; R409-F411 HydrophobicContact CB-CE2 3.88Å; R409-F411 HydrophobicContact CB-CZ 4.32Å; R409-F411 HydrophobicContact CG-CD2 4.15Å; R409-F411 HydrophobicContact CG-CE2 3.92Å; R409-F411 HydrophobicContact CG-CZ 4.15Å; R409-F411 WeakPolarHBondContact O-CD2 3.3Å; F411-M488 HydrophobicContact CD1-CE 4.4Å; F411-M488 HydrophobicContact CD2-CE 3.63Å; F411-M488 HydrophobicContact CD2-SD 3.89Å; F411-M488 HydrophobicContact CE1-CE 4.31Å; F411-M488 HydrophobicContact CE2-CE 3.53Å; F411-M488 HydrophobicContact CE2-SD 4.17Å; F411-M488 HydrophobicContact CG-CE 4.09Å; F411-M488 HydrophobicContact CZ-CE 3.89Å |
| 412 | S | 98 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 162.5 | 171.4 | 62.3 | 0 | 0 | 0 | 0 | 111.1 | D383 P387 L388 M389 V410 | D383-S412 CarbonylContact O-C 3.59Å; D383-S412 WeakPolarHBondContact O-CA 3.47Å; P387-S412 CarbonylContact O-C 3.51Å; P387-S412 VanDerWaalsContact O-C 3.31Å; P387-S412 WeakPolarHBondContact O-CB 3.44Å; P387-S412 PolarHBondContact O-OG 2.69Å; L388-S412 VanDerWaalsContact CA-O 3.3Å; L388-S412 WeakPolarHBondContact CA-O 3.44Å; M389-S412 VanDerWaalsContact CB-OG 3.27Å; M389-S412 WeakPolarHBondContact CB-OG 3.5Å; M389-S412 VanDerWaalsContact CG-OG 3.31Å; M389-S412 WeakPolarHBondContact CG-OG 3.29Å; M389-S412 PolarHBondContact N-O 2.89Å; M389-S412 PolarHBondContact N-OG 2.74Å; M389-S412 PolarHBondContact O-N 3.04Å; V410-S412 VanDerWaalsContact CG1-O 3.28Å; V410-S412 WeakPolarHBondContact CG1-O 3.01Å |
| 413 | G | 97.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 69.7 | -153.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D383 V384 G386 P387 S460 | D383-G413 PolarHBondContact O-N 2.95Å; V384-G413 CarbonylContact O-C 3.46Å; V384-G413 WeakPolarHBondContact O-CA 3.43Å; G386-G413 VanDerWaalsContact O-CA 3.29Å; G386-G413 WeakPolarHBondContact O-CA 3.26Å; P387-G413 PolarHBondContact O-N 3.25Å; G413-S460 WeakPolarHBondContact O-CB 3.47Å; G413-S460 PolarHBondContact O-N 3.18Å |
| 414 | K | 97.5 | Very high | 96 | Very high | 65 Ų | 65 | 26.5 Ų | 26.5 | 28% | 0.283 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 138.3 | 176.4 | -85.7 | 166.3 | 163.3 | 167.9 | 0 | 108.9 | V384 M419 V458 P459 | V384-K414 HydrophobicContact CG2-CD 3.68Å; V384-K414 HydrophobicContact CG2-CG 3.62Å; K414-M419 WeakPolarHBondContact O-CE 3.39Å; K414-V458 WeakPolarHBondContact CA-O 3.26Å; K414-P459 HydrophobicContact CG-CB 3.96Å |
| 415 | V | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 134.4 | 166.5 | 67.1 | 0 | 0 | 0 | 0 | 108.6 | L388 M390 V410 I441 T444 D457 V458 L466 | L388-V415 HydrophobicContact CD1-CB 4.11Å; L388-V415 HydrophobicContact CD2-CB 4.21Å; L388-V415 HydrophobicContact CD2-CG2 4.29Å; M390-V415 HydrophobicContact SD-CB 4.37Å; M390-V415 HydrophobicContact SD-CG1 4.17Å; M390-V415 HydrophobicContact SD-CG2 4.4Å; V410-V415 HydrophobicContact CG2-CB 4.29Å; V410-V415 HydrophobicContact CG2-CG1 3.58Å; V415-I441 HydrophobicContact CG2-CG1 4.17Å; V415-I441 HydrophobicContact CG2-CG2 4.4Å; V415-T444 HydrophobicContact CG1-CG2 3.98Å; V415-T444 HydrophobicContact CG2-CG2 4.16Å; V415-D457 CarbonylContact O-C 3.6Å; V415-D457 WeakPolarHBondContact O-CA 3.35Å; V415-D457 WeakPolarHBondContact O-CB 3.15Å; V415-V458 HydrophobicContact CG1-CB 3.92Å; V415-V458 PolarHBondContact N-O 2.63Å; V415-V458 PolarHBondContact O-N 3.29Å; V415-L466 HydrophobicContact CG1-CD2 4.21Å; V415-L466 HydrophobicContact CG2-CD1 4.2Å; V415-L466 HydrophobicContact CG2-CD2 3.83Å |
| 416 | M | 96.6 | Very high | 95.9 | Very high | 84 Ų | 84 | 26.9 Ų | 26.9 | 41% | 0.414 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 150.9 | -174.9 | -13.1 | -176.5 | -53.1 | 0 | 0 | 110.4 | G418 M419 D457 | M416-G418 PolarHBondContact O-N 3.05Å; M416-M419 HydrophobicContact CB-CB 4.28Å; M416-M419 HydrophobicContact CG-CB 4.29Å; M416-M419 HydrophobicContact CG-CE 4.32Å; M416-M419 HydrophobicContact CG-SD 4.09Å; M416-M419 WeakPolarHBondContact O-CB 3.22Å; M416-M419 PolarHBondContact O-N 3.03Å; M416-M419 VanDerWaalsContact O-N 3.12Å; M416-D457 HydrophobicContact CB-CB 3.87Å; M416-D457 HydrophobicContact CG-CB 4.14Å |
| 417 | T | 96.2 | Very high | 95.4 | Very high | 62 Ų | 62 | 32.9 Ų | 32.9 | 38% | 0.38 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 129.8 | 169.2 | -68.8 | 0 | 0 | 0 | 0 | 110.6 | M419 Q442 R443 T444 E456 | T417-M419 VanDerWaalsContact C-N 3.29Å; T417-M419 PolarHBondContact O-N 3.04Å; T417-Q442 WeakPolarHBondContact CG2-O 3.31Å; T417-R443 HydrophobicContact CG2-CG 4.32Å; T417-T444 PolarHBondContact OG1-N 2.99Å; T417-T444 VanDerWaalsContact OG1-N 3.16Å; T417-T444 PolarHBondContact OG1-OG1 3.42Å; T417-E456 PolarHBondContact N-O 3.28Å |
| 418 | G | 94.8 | Very high | 95.2 | Very high | 46 Ų | 46 | 33.2 Ų | 33.2 | 47% | 0.474 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | -10.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | M416 K420 S440 I441 | M416-G418 PolarHBondContact O-N 3.05Å; G418-K420 PolarHBondContact O-N 3.19Å; G418-S440 PolarHBondContact O-OG 3.26Å; G418-I441 VanDerWaalsContact CA-O 3.3Å; G418-I441 WeakPolarHBondContact CA-O 3.29Å; G418-I441 PolarHBondContact N-O 3.43Å |
| 419 | M | 95.7 | Very high | 94.8 | Very high | 43 Ų | 43 | 36.2 Ų | 36.2 | 21% | 0.212 | 20% | 0.196 | C | C | . | . | trans | -61.5 | 130.8 | -177.4 | -172.9 | -176.2 | -137 | 0 | 0 | 111.6 | L388 K414 M416 T417 S440 I441 T481 | L388-M419 HydrophobicContact CD2-SD 3.88Å; K414-M419 WeakPolarHBondContact O-CE 3.39Å; M416-M419 HydrophobicContact CB-CB 4.28Å; M416-M419 HydrophobicContact CG-CB 4.29Å; M416-M419 HydrophobicContact CG-CE 4.32Å; M416-M419 HydrophobicContact CG-SD 4.09Å; M416-M419 WeakPolarHBondContact O-CB 3.22Å; M416-M419 PolarHBondContact O-N 3.03Å; M416-M419 VanDerWaalsContact O-N 3.12Å; T417-M419 VanDerWaalsContact C-N 3.29Å; T417-M419 PolarHBondContact O-N 3.04Å; M419-S440 CarbonylContact O-C 3.59Å; M419-S440 VanDerWaalsContact O-CA 3.27Å; M419-S440 WeakPolarHBondContact O-CA 3.43Å; M419-I441 PolarHBondContact O-N 2.98Å; M419-T481 HydrophobicContact CE-CG2 3.97Å; M419-T481 HydrophobicContact SD-CG2 4.26Å | ||
| 420 | K | 96.8 | Very high | 94.2 | Very high | 171 Ų | 171 | 38.7 Ų | 38.7 | 74% | 0.743 | 21% | 0.212 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 125.6 | 170 | -72.5 | -176.8 | 179.4 | -178.4 | 0 | 109.9 | G418 S440 | G418-K420 PolarHBondContact O-N 3.19Å; K420-S440 VanDerWaalsContact CG-OG 3.31Å; K420-S440 WeakPolarHBondContact CG-OG 3.17Å |
| 421 | A | 96.6 | Very high | 93.7 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 5% | 0.05 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 161.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L388 K439 I441 I479 | L388-A421 HydrophobicContact CD2-CB 4.43Å; A421-K439 PolarHBondContact N-O 3.24Å; A421-K439 PolarHBondContact O-N 2.89Å; A421-K439 VanDerWaalsContact O-O 3.04Å; A421-I441 HydrophobicContact CB-CD1 4.47Å; A421-I441 HydrophobicContact CB-CG1 4.5Å; A421-I479 HydrophobicContact CB-CG2 3.65Å |
| 422 | R | 96.8 | Very high | 93.2 | Very high | 32 Ų | 32 | 48.2 Ų | 48.2 | 12% | 0.121 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 118.1 | 171.3 | -60.8 | 167.6 | 65.7 | 92.8 | -11.2 | 107.4 | Y428 L436 E438 I479 S480 F482 K483 | R422-Y428 PolarHBondContact NH2-OH 3.2Å; R422-L436 HydrophobicContact CB-CD1 4.04Å; R422-E438 HydrophobicContact CG-CG 4.12Å; R422-E438 IonicContact CZ-OE1 3.54Å; R422-E438 IonicContact NH1-OE1 3.76Å; R422-E438 PolarHBondContact NH1-OE1 3Å; R422-I479 CarbonylContact O-C 3.25Å; R422-I479 VanDerWaalsContact O-CA 3.31Å; R422-I479 WeakPolarHBondContact O-CA 3.09Å; R422-S480 WeakPolarHBondContact CA-O 3.48Å; R422-S480 VanDerWaalsContact CB-O 3.29Å; R422-S480 WeakPolarHBondContact CB-O 3.44Å; R422-S480 PolarHBondContact N-O 3.17Å; R422-S480 PolarHBondContact O-N 3.36Å; R422-F482 WeakPolarHBondContact CD-O 3.21Å; R422-K483 PolarHBondContact NH2-O 2.8Å |
| 423 | I | 96.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 109.2 | 174.9 | -54.8 | 172.2 | 0 | 0 | 0 | 106.4 | Y437 K439 V469 F472 L473 I479 | I423-Y437 PolarHBondContact N-O 3.05Å; I423-Y437 PolarHBondContact O-N 2.72Å; I423-K439 HydrophobicContact CD1-CB 4.05Å; I423-V469 HydrophobicContact CD1-CG1 4.44Å; I423-V469 HydrophobicContact CD1-CG2 4.37Å; I423-V469 HydrophobicContact CG2-CG1 4.26Å; I423-F472 HydrophobicContact CD1-CB 4.4Å; I423-F472 HydrophobicContact CD1-CD2 3.6Å; I423-F472 HydrophobicContact CD1-CE2 4.27Å; I423-F472 HydrophobicContact CD1-CG 4.22Å; I423-F472 HydrophobicContact CG2-CB 4.11Å; I423-L473 HydrophobicContact CG2-CD1 3.81Å; I423-L473 HydrophobicContact CG2-CD2 3.84Å; I423-L473 HydrophobicContact CG2-CG 3.55Å; I423-I479 HydrophobicContact CG1-CG1 4.49Å |
| 424 | Q | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 116.4 | -177 | -59.8 | 167.2 | -41.3 | 0 | 0 | 108.4 | Y428 L436 G477 T478 A485 N487 | Q424-Y428 HydrophobicContact CB-CD1 3.92Å; Q424-Y428 HydrophobicContact CB-CG 4.01Å; Q424-Y428 HydrophobicContact CG-CD1 3.81Å; Q424-Y428 HydrophobicContact CG-CE1 4.09Å; Q424-Y428 HydrophobicContact CG-CG 4.13Å; Q424-L436 HydrophobicContact CG-CD1 3.79Å; Q424-G477 CarbonylContact O-C 3.58Å; Q424-G477 VanDerWaalsContact O-CA 3.29Å; Q424-G477 WeakPolarHBondContact O-CA 3.43Å; Q424-T478 WeakPolarHBondContact CB-O 3.32Å; Q424-T478 PolarHBondContact N-O 3.2Å; Q424-T478 PolarHBondContact O-N 3.25Å; Q424-A485 PolarHBondContact NE2-O 3.34Å; Q424-N487 VanDerWaalsContact CB-OD1 3.22Å; Q424-N487 WeakPolarHBondContact CB-OD1 3.41Å |
| 425 | G | 92.5 | Very high | 92 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | trans | -75.1 | 172.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N427 Y428 D435 N487 | G425-N427 PolarHBondContact O-N 2.8Å; G425-N427 VanDerWaalsContact O-N 3.15Å; G425-Y428 VanDerWaalsContact O-CB 3.27Å; G425-Y428 WeakPolarHBondContact O-CB 3.09Å; G425-Y428 PolarHBondContact O-N 2.99Å; G425-Y428 VanDerWaalsContact O-N 3.08Å; G425-D435 VanDerWaalsContact CA-CG 3.41Å; G425-D435 WeakPolarHBondContact CA-OD2 3.4Å; G425-D435 PolarHBondContact N-O 2.72Å; G425-N487 PolarHBondContact O-ND2 3.43Å | ||
| 426 | P | 86.7 | Confident | 91.9 | Very high | 48 Ų | 48 | 62.1 Ų | 62.1 | 31% | 0.312 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21.7 | -173.4 | 26.9 | -35 | 0 | 0 | 0 | 113.7 | D435 V490 | P426-D435 WeakPolarHBondContact CD-OD2 3.47Å; P426-V490 HydrophobicContact CB-CG1 4.41Å; P426-V490 HydrophobicContact CB-CG2 3.75Å |
| 427 | N | 85.3 | Confident | 91.9 | Very high | 125 Ų | 125 | 62.6 Ų | 62.6 | 67% | 0.668 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 1.7 | -179.9 | -58.1 | -50.5 | 0 | 0 | 0 | 112.9 | G425 V429 D435 | G425-N427 PolarHBondContact O-N 2.8Å; G425-N427 VanDerWaalsContact O-N 3.15Å; N427-V429 PolarHBondContact O-N 3.44Å; N427-D435 HydrophobicContact CB-CB 4.27Å; N427-D435 WeakPolarHBondContact CB-OD2 3.31Å; N427-D435 PolarHBondContact N-OD2 3.46Å |
| 428 | Y | 89.5 | Confident | 91.8 | Very high | 11 Ų | 11 | 65.7 Ų | 65.7 | 4% | 0.043 | 35% | 0.353 | C | S | . | . | trans | -58.4 | 131.1 | 177.4 | 172.8 | -109.9 | 0 | 0 | 0 | 110.9 | R422 Q424 G425 K432 L436 N487 | R422-Y428 PolarHBondContact NH2-OH 3.2Å; Q424-Y428 HydrophobicContact CB-CD1 3.92Å; Q424-Y428 HydrophobicContact CB-CG 4.01Å; Q424-Y428 HydrophobicContact CG-CD1 3.81Å; Q424-Y428 HydrophobicContact CG-CE1 4.09Å; Q424-Y428 HydrophobicContact CG-CG 4.13Å; G425-Y428 VanDerWaalsContact O-CB 3.27Å; G425-Y428 WeakPolarHBondContact O-CB 3.09Å; G425-Y428 PolarHBondContact O-N 2.99Å; G425-Y428 VanDerWaalsContact O-N 3.08Å; Y428-K432 WeakPolarHBondContact CE2-O 3.43Å; Y428-L436 HydrophobicContact CD2-CB 3.81Å; Y428-L436 HydrophobicContact CE2-CB 3.91Å; Y428-L436 HydrophobicContact CE2-CD1 4.25Å; Y428-L436 HydrophobicContact CE2-CD2 3.96Å; Y428-L436 HydrophobicContact CE2-CG 4.25Å; Y428-N487 PolarHBondContact O-ND2 2.97Å | ||
| 429 | V | 86.4 | Confident | 91.8 | Very high | 64 Ų | 64 | 68.1 Ų | 68.1 | 39% | 0.388 | 35% | 0.35 | S | S | . | . | trans | -114.9 | 128 | 173 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | N427 G431 K432 | N427-V429 PolarHBondContact O-N 3.44Å; V429-G431 PolarHBondContact O-N 3.4Å; V429-K432 HydrophobicContact CB-CB 4.42Å; V429-K432 HydrophobicContact CB-CD 4.18Å; V429-K432 HydrophobicContact CB-CG 4.31Å; V429-K432 HydrophobicContact CG1-CD 4.47Å; V429-K432 HydrophobicContact CG1-CG 4.5Å; V429-K432 WeakPolarHBondContact O-CB 3.39Å; V429-K432 PolarHBondContact O-N 3.49Å | ||
| 430 | P | 85.9 | Confident | 91.8 | Very high | 51 Ų | 51 | 69 Ų | 69 | 33% | 0.331 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | 133.2 | 175.6 | -26.4 | 30.9 | 0 | 0 | 0 | 112.5 | K432 H486 | P430-K432 VanDerWaalsContact C-N 3.27Å; P430-K432 PolarHBondContact O-N 3.25Å; P430-H486 HydrophobicContact CG-CB 4.3Å; P430-H486 WeakPolarHBondContact CG-CD2 3Å; P430-H486 WeakPolarHBondContact CG-NE2 3.36Å |
| 431 | G | 85.7 | Confident | 91.8 | Very high | 82 Ų | 82 | 60.9 Ų | 60.9 | 85% | 0.845 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | -13.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | V429 | V429-G431 PolarHBondContact O-N 3.4Š|
| 432 | K | 88.5 | Confident | 91.7 | Very high | 119 Ų | 119 | 65.2 Ų | 65.2 | 52% | 0.517 | 34% | 0.344 | S | S | . | . | trans | -93.2 | 167.6 | 171.3 | -62 | -166.4 | 179.2 | -177.5 | 0 | 111.5 | Y428 V429 P430 | Y428-K432 WeakPolarHBondContact CE2-O 3.43Å; V429-K432 HydrophobicContact CB-CB 4.42Å; V429-K432 HydrophobicContact CB-CD 4.18Å; V429-K432 HydrophobicContact CB-CG 4.31Å; V429-K432 HydrophobicContact CG1-CD 4.47Å; V429-K432 HydrophobicContact CG1-CG 4.5Å; V429-K432 WeakPolarHBondContact O-CB 3.39Å; V429-K432 PolarHBondContact O-N 3.49Å; P430-K432 VanDerWaalsContact C-N 3.27Å; P430-K432 PolarHBondContact O-N 3.25Å | ||
| 433 | K | 90 | Very high | 91.6 | Very high | 182 Ų | 182 | 70.6 Ų | 70.6 | 79% | 0.791 | 37% | 0.365 | S | S | * | . | trans | -105.1 | -6.5 | 174.6 | -67 | -175.5 | 179 | 179.5 | 0 | 113.1 | D435 L436 | K433-D435 PolarHBondContact O-N 3Å; K433-L436 PolarHBondContact O-N 3.07Å | ||
| 434 | D | 89.1 | Confident | 91.5 | Very high | 110 Ų | 110 | 70.5 Ų | 70.5 | 59% | 0.588 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 133.5 | 178.2 | -55.9 | -51.3 | 0 | 0 | 0 | 109.6 | L436 | D434-L436 PolarHBondContact O-N 3.01Š|
| 435 | D | 90 | Very high | 91.3 | Very high | 36 Ų | 36 | 70.9 Ų | 70.9 | 19% | 0.193 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 26.3 | 180 | -151.3 | 17.8 | 0 | 0 | 0 | 114.4 | G425 P426 N427 K433 | G425-D435 VanDerWaalsContact CA-CG 3.41Å; G425-D435 WeakPolarHBondContact CA-OD2 3.4Å; G425-D435 PolarHBondContact N-O 2.72Å; P426-D435 WeakPolarHBondContact CD-OD2 3.47Å; N427-D435 HydrophobicContact CB-CB 4.27Å; N427-D435 WeakPolarHBondContact CB-OD2 3.31Å; N427-D435 PolarHBondContact N-OD2 3.46Å; K433-D435 PolarHBondContact O-N 3Å |
| 436 | L | 94.6 | Very high | 91.2 | Very high | 31 Ų | 31 | 71 Ų | 71 | 16% | 0.162 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 129.2 | 177.3 | 175.1 | 67.7 | 0 | 0 | 0 | 111.6 | R422 Q424 Y428 K433 D434 | R422-L436 HydrophobicContact CB-CD1 4.04Å; Q424-L436 HydrophobicContact CG-CD1 3.79Å; Y428-L436 HydrophobicContact CD2-CB 3.81Å; Y428-L436 HydrophobicContact CE2-CB 3.91Å; Y428-L436 HydrophobicContact CE2-CD1 4.25Å; Y428-L436 HydrophobicContact CE2-CD2 3.96Å; Y428-L436 HydrophobicContact CE2-CG 4.25Å; K433-L436 PolarHBondContact O-N 3.07Å; D434-L436 PolarHBondContact O-N 3.01Å |
| 437 | Y | 95.7 | Very high | 91.2 | Very high | 93 Ų | 93 | 69.6 Ų | 69.6 | 37% | 0.365 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 122.1 | 179 | -52.1 | -88.1 | 0 | 0 | 0 | 111.8 | I423 F472 | I423-Y437 PolarHBondContact N-O 3.05Å; I423-Y437 PolarHBondContact O-N 2.72Å; Y437-F472 AromaticContact CD1-CD1 3.8Å; Y437-F472 HydrophobicContact CD1-CD1 3.8Å; Y437-F472 HydrophobicContact CD2-CB 3.85Å; Y437-F472 HydrophobicContact CD2-CD1 4.46Å; Y437-F472 HydrophobicContact CE1-CD1 4.38Å; Y437-F472 HydrophobicContact CE2-CB 4.31Å; Y437-F472 HydrophobicContact CG-CB 4.03Å; Y437-F472 AromaticContact CG-CD1 3.84Å; Y437-F472 HydrophobicContact CG-CD1 3.84Å; Y437-F472 HydrophobicContact CG-CG 4.2Å |
| 438 | E | 95 | Very high | 91 | Very high | 128 Ų | 128 | 64.7 Ų | 64.7 | 60% | 0.598 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 109 | 173.2 | -62.1 | -166.6 | 164 | 0 | 0 | 110.3 | R422 | R422-E438 HydrophobicContact CG-CG 4.12Å; R422-E438 IonicContact CZ-OE1 3.54Å; R422-E438 IonicContact NH1-OE1 3.76Å; R422-E438 PolarHBondContact NH1-OE1 3Å |
| 439 | K | 95.8 | Very high | 90.5 | Very high | 97 Ų | 97 | 65.1 Ų | 65.1 | 42% | 0.422 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 159.9 | -171.2 | -63.1 | -67.7 | 174.9 | -175.1 | 0 | 111.6 | A421 I423 F472 | A421-K439 PolarHBondContact N-O 3.24Å; A421-K439 PolarHBondContact O-N 2.89Å; A421-K439 VanDerWaalsContact O-O 3.04Å; I423-K439 HydrophobicContact CD1-CB 4.05Å; K439-F472 HydrophobicContact CB-CE2 4.14Å; K439-F472 HydrophobicContact CB-CZ 4.35Å; K439-F472 HydrophobicContact CD-CE1 4.13Å; K439-F472 HydrophobicContact CD-CE2 4.42Å; K439-F472 HydrophobicContact CD-CZ 3.78Å; K439-F472 HydrophobicContact CG-CD1 4.44Å; K439-F472 HydrophobicContact CG-CD2 4.32Å; K439-F472 HydrophobicContact CG-CE1 3.91Å; K439-F472 HydrophobicContact CG-CE2 3.77Å; K439-F472 HydrophobicContact CG-CZ 3.56Å |
| 440 | S | 95.6 | Very high | 89.8 | Confident | 60 Ų | 60 | 67.5 Ų | 67.5 | 42% | 0.42 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 135.4 | 171.5 | -75 | 0 | 0 | 0 | 0 | 110.8 | G418 M419 K420 Q442 | G418-S440 PolarHBondContact O-OG 3.26Å; M419-S440 CarbonylContact O-C 3.59Å; M419-S440 VanDerWaalsContact O-CA 3.27Å; M419-S440 WeakPolarHBondContact O-CA 3.43Å; K420-S440 VanDerWaalsContact CG-OG 3.31Å; K420-S440 WeakPolarHBondContact CG-OG 3.17Å; S440-Q442 PolarHBondContact O-N 3.39Å |
| 441 | I | 95.2 | Very high | 89.4 | Confident | 2 Ų | 2 | 72.5 Ų | 72.5 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | trans | -66.8 | 124.5 | 169.5 | -57.1 | -48.6 | 0 | 0 | 0 | 108.5 | V415 G418 M419 A421 L466 V469 I479 | V415-I441 HydrophobicContact CG2-CG1 4.17Å; V415-I441 HydrophobicContact CG2-CG2 4.4Å; G418-I441 VanDerWaalsContact CA-O 3.3Å; G418-I441 WeakPolarHBondContact CA-O 3.29Å; G418-I441 PolarHBondContact N-O 3.43Å; M419-I441 PolarHBondContact O-N 2.98Å; A421-I441 HydrophobicContact CB-CD1 4.47Å; A421-I441 HydrophobicContact CB-CG1 4.5Å; I441-L466 HydrophobicContact CD1-CD1 4.05Å; I441-L466 HydrophobicContact CG2-CB 4.42Å; I441-L466 HydrophobicContact CG2-CD1 4.29Å; I441-L466 HydrophobicContact CG2-CD2 4Å; I441-L466 HydrophobicContact CG2-CG 4.48Å; I441-V469 HydrophobicContact CD1-CG2 3.91Å; I441-I479 HydrophobicContact CD1-CG2 4.45Å | ||
| 442 | Q | 94.5 | Very high | 89.2 | Confident | 96 Ų | 96 | 71.1 Ų | 71.1 | 45% | 0.449 | 33% | 0.328 | S | S | . | . | trans | -76.1 | -42.3 | -173.8 | -60.2 | -178.6 | 5.1 | 0 | 0 | 112.4 | T417 S440 V467 | T417-Q442 WeakPolarHBondContact CG2-O 3.31Å; S440-Q442 PolarHBondContact O-N 3.39Å; Q442-V467 HydrophobicContact CB-CB 4.45Å; Q442-V467 HydrophobicContact CB-CG1 4.46Å; Q442-V467 WeakPolarHBondContact CB-O 3.32Å; Q442-V467 PolarHBondContact N-O 3.18Å | ||
| 443 | R | 94.5 | Very high | 89.2 | Confident | 145 Ų | 145 | 69.6 Ų | 69.6 | 55% | 0.547 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 147.2 | 179.9 | -123.7 | 175.9 | 179.8 | 166.8 | -1.3 | 111.2 | T417 L466 V467 | T417-R443 HydrophobicContact CG2-CG 4.32Å; R443-L466 WeakPolarHBondContact O-CA 3.26Å; R443-V467 HydrophobicContact CB-CB 3.86Å; R443-V467 HydrophobicContact CB-CG2 3.82Å; R443-V467 PolarHBondContact O-N 3.4Å |
| 444 | T | 95.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 135 | 169.9 | 33.9 | 0 | 0 | 0 | 0 | 109.3 | V415 T417 I455 E456 L466 | V415-T444 HydrophobicContact CG1-CG2 3.98Å; V415-T444 HydrophobicContact CG2-CG2 4.16Å; T417-T444 PolarHBondContact OG1-N 2.99Å; T417-T444 VanDerWaalsContact OG1-N 3.16Å; T417-T444 PolarHBondContact OG1-OG1 3.42Å; T444-I455 WeakPolarHBondContact CB-O 3.25Å; T444-I455 PolarHBondContact O-N 2.84Å; T444-I455 VanDerWaalsContact O-N 3.08Å; T444-I455 PolarHBondContact OG1-O 2.81Å; T444-E456 PolarHBondContact OG1-O 3.1Å; T444-E456 VanDerWaalsContact OG1-O 3.11Å; T444-L466 HydrophobicContact CG2-CD2 3.59Å |
| 445 | V | 92.4 | Very high | 89.4 | Confident | 9 Ų | 9 | 59.5 Ų | 59.5 | 6% | 0.055 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 144.3 | -179.9 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | Y405 M447 E453 G465 V467 | Y405-V445 HydrophobicContact CD1-CG2 3.85Å; Y405-V445 HydrophobicContact CE1-CG1 4.44Å; Y405-V445 HydrophobicContact CE1-CG2 4.09Å; Y405-V445 HydrophobicContact CG-CG2 4.37Å; V445-M447 HydrophobicContact CG2-SD 4Å; V445-E453 CarbonylContact C-O 3.54Å; V445-E453 WeakPolarHBondContact CA-O 3.38Å; V445-G465 WeakPolarHBondContact CG2-O 3.19Å; V445-G465 PolarHBondContact N-O 2.98Å; V445-G465 PolarHBondContact O-N 3.17Å; V445-V467 HydrophobicContact CG1-CG2 4.2Å |
| 446 | L | 89.9 | Confident | 89.5 | Confident | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 128 | 169.5 | -178 | 69.8 | 0 | 0 | 0 | 109.4 | I9 M13 M448 V452 E453 | I9-L446 HydrophobicContact CD1-CD2 3.73Å; I9-L446 HydrophobicContact CG2-CD1 4.33Å; I9-L446 HydrophobicContact CG2-CD2 4.05Å; M13-L446 HydrophobicContact CE-CD1 3.71Å; L446-M448 HydrophobicContact CD2-CG 4.04Å; L446-M448 HydrophobicContact CD2-SD 4.13Å; L446-M448 HydrophobicContact CG-CG 4.15Å; L446-M448 HydrophobicContact CG-SD 4.38Å; L446-V452 WeakPolarHBondContact O-CA 3.28Å; L446-E453 HydrophobicContact CB-CB 4.41Å; L446-E453 PolarHBondContact N-O 3.02Å; L446-E453 PolarHBondContact O-N 3.44Å |
| 447 | M | 85.7 | Confident | 89.5 | Confident | 17 Ų | 17 | 65.4 Ų | 65.4 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 119.9 | 178.6 | -53.5 | -59.6 | -69.9 | 0 | 0 | 110 | A74 V396 Y405 F407 V445 V452 | A74-M447 HydrophobicContact CB-CB 4.15Å; V396-M447 HydrophobicContact CB-CE 4.33Å; V396-M447 HydrophobicContact CG1-CE 4.03Å; V396-M447 HydrophobicContact CG2-CE 4.47Å; Y405-M447 HydrophobicContact CD2-CE 4.17Å; Y405-M447 HydrophobicContact CD2-SD 4.5Å; F407-M447 HydrophobicContact CD2-CG 3.71Å; F407-M447 HydrophobicContact CE2-CB 4.46Å; F407-M447 HydrophobicContact CE2-CG 3.91Å; V445-M447 HydrophobicContact CG2-SD 4Å; M447-V452 HydrophobicContact CE-CG1 4.03Å; M447-V452 HydrophobicContact SD-CG1 3.85Å |
| 448 | M | 82.3 | Confident | 89.6 | Confident | 23 Ų | 23 | 61 Ų | 61 | 11% | 0.113 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 56.2 | -178.2 | -70.4 | -60.7 | -68.2 | 0 | 0 | 110.8 | F4 I45 V75 S76 L446 R450 Y451 | F4-M448 HydrophobicContact CE2-CE 3.89Å; F4-M448 HydrophobicContact CZ-CE 3.71Å; I45-M448 HydrophobicContact CD1-CE 3.9Å; V75-M448 HydrophobicContact CG1-CE 4.49Å; S76-M448 WeakPolarHBondContact O-CE 3.37Å; L446-M448 HydrophobicContact CD2-CG 4.04Å; L446-M448 HydrophobicContact CD2-SD 4.13Å; L446-M448 HydrophobicContact CG-CG 4.15Å; L446-M448 HydrophobicContact CG-SD 4.38Å; M448-R450 PolarHBondContact O-N 3.04Å; M448-Y451 CarbonylContact C-O 3.31Å; M448-Y451 VanDerWaalsContact CA-O 3.32Å; M448-Y451 WeakPolarHBondContact CA-O 3.44Å; M448-Y451 WeakPolarHBondContact CB-O 3.45Å; M448-Y451 PolarHBondContact N-O 3.49Å; M448-Y451 PolarHBondContact O-N 2.63Å; M448-Y451 VanDerWaalsContact O-N 3.13Å |
| 449 | G | 77.4 | Confident | 89.7 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | -106 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T73 A74 Y451 | T73-G449 VanDerWaalsContact CG2-CA 3.5Å; A74-G449 PolarHBondContact O-N 3.2Å; G449-Y451 VanDerWaalsContact C-N 3.32Å |
| 450 | R | 72.1 | Confident | 89.8 | Confident | 115 Ų | 115 | 50.3 Ų | 50.3 | 43% | 0.434 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -18.1 | 178.9 | -62 | -179.3 | -173.7 | -160.1 | -2.5 | 113.4 | D58 T59 M448 | D58-R450 PolarHBondContact O-NH2 3.38Å; T59-R450 HydrophobicContact CG2-CG 3.49Å; T59-R450 VanDerWaalsContact CG2-CG 3.49Å; M448-R450 PolarHBondContact O-N 3.04Å |
| 451 | Y | 77.7 | Confident | 89.8 | Confident | 155 Ų | 155 | 47.4 Ų | 47.4 | 61% | 0.608 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 152.1 | -177.5 | -52.5 | -73.6 | 0 | 0 | 0 | 110.3 | M448 G449 | M448-Y451 CarbonylContact C-O 3.31Å; M448-Y451 VanDerWaalsContact CA-O 3.32Å; M448-Y451 WeakPolarHBondContact CA-O 3.44Å; M448-Y451 WeakPolarHBondContact CB-O 3.45Å; M448-Y451 PolarHBondContact N-O 3.49Å; M448-Y451 PolarHBondContact O-N 2.63Å; M448-Y451 VanDerWaalsContact O-N 3.13Å; G449-Y451 VanDerWaalsContact C-N 3.32Å |
| 452 | V | 82.7 | Confident | 89.9 | Confident | 53 Ų | 53 | 47.3 Ų | 47.3 | 32% | 0.321 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 133.8 | 172.7 | -67.5 | 0 | 0 | 0 | 0 | 108.3 | Y405 L446 M447 | Y405-V452 HydrophobicContact CD2-CG1 4.42Å; Y405-V452 HydrophobicContact CE2-CG1 3.92Å; Y405-V452 HydrophobicContact CE2-CG2 4.24Å; L446-V452 WeakPolarHBondContact O-CA 3.28Å; M447-V452 HydrophobicContact CE-CG1 4.03Å; M447-V452 HydrophobicContact SD-CG1 3.85Å |
| 453 | E | 87.3 | Confident | 90 | Very high | 87 Ų | 87 | 43 Ų | 43 | 41% | 0.407 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 132 | 179.4 | -69.4 | -65.2 | 163.7 | 0 | 0 | 109.2 | V6 V445 L446 | V6-E453 HydrophobicContact CG2-CB 3.86Å; V6-E453 HydrophobicContact CG2-CG 3.9Å; V445-E453 CarbonylContact C-O 3.54Å; V445-E453 WeakPolarHBondContact CA-O 3.38Å; L446-E453 HydrophobicContact CB-CB 4.41Å; L446-E453 PolarHBondContact N-O 3.02Å; L446-E453 PolarHBondContact O-N 3.44Å |
| 454 | P | 90.7 | Very high | 90 | Very high | 70 Ų | 70 | 36 Ų | 36 | 46% | 0.455 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 140.3 | 173.6 | 28.9 | -33 | 0 | 0 | 0 | 110.2 | ||
| 455 | I | 92.8 | Very high | 90 | Very high | 11 Ų | 11 | 36 Ų | 36 | 6% | 0.056 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 143.8 | 176.3 | -164.1 | 168.9 | 0 | 0 | 0 | 108.5 | R10 M13 T444 V458 | R10-I455 HydrophobicContact CB-CD1 3.98Å; R10-I455 HydrophobicContact CB-CG1 4.43Å; R10-I455 HydrophobicContact CG-CD1 4.27Å; R10-I455 HydrophobicContact CG-CG1 4.43Å; M13-I455 HydrophobicContact CE-CD1 3.8Å; M13-I455 HydrophobicContact SD-CD1 3.92Å; T444-I455 WeakPolarHBondContact CB-O 3.25Å; T444-I455 PolarHBondContact O-N 2.84Å; T444-I455 VanDerWaalsContact O-N 3.08Å; T444-I455 PolarHBondContact OG1-O 2.81Å; I455-V458 HydrophobicContact CG2-CG2 3.71Å |
| 456 | E | 91.6 | Very high | 90.1 | Very high | 163 Ų | 163 | 35.6 Ų | 35.6 | 76% | 0.762 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -71.8 | -44.6 | -171.7 | -64.1 | -169.1 | 159.2 | 0 | 0 | 113.1 | T417 T444 | T417-E456 PolarHBondContact N-O 3.28Å; T444-E456 PolarHBondContact OG1-O 3.1Å; T444-E456 VanDerWaalsContact OG1-O 3.11Å |
| 457 | D | 95.6 | Very high | 90.3 | Very high | 28 Ų | 28 | 37.2 Ų | 37.2 | 15% | 0.15 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 160.7 | 178.6 | 79.9 | 114.2 | 0 | 0 | 0 | 111.5 | R10 V415 M416 | R10-D457 VanDerWaalsContact CD-O 3.25Å; R10-D457 WeakPolarHBondContact CD-O 3.28Å; R10-D457 IonicContact CZ-OD1 3.64Å; R10-D457 IonicContact CZ-OD2 2.71Å; R10-D457 PolarHBondContact NE-O 3Å; R10-D457 IonicContact NE-OD1 3.64Å; R10-D457 IonicContact NE-OD2 3.86Å; R10-D457 PolarHBondContact NE-OD2 3.1Å; R10-D457 IonicContact NH2-OD1 2.75Å; R10-D457 PolarHBondContact NH2-OD1 3.34Å; R10-D457 IonicContact NH2-OD2 3.07Å; R10-D457 PolarHBondContact NH2-OD2 3.43Å; V415-D457 CarbonylContact O-C 3.6Å; V415-D457 WeakPolarHBondContact O-CA 3.35Å; V415-D457 WeakPolarHBondContact O-CB 3.15Å; M416-D457 HydrophobicContact CB-CB 3.87Å; M416-D457 HydrophobicContact CG-CB 4.14Å |
| 458 | V | 97.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 118.4 | 179.3 | -179.2 | 0 | 0 | 0 | 0 | 109.2 | M13 V410 K414 V415 I455 N462 C464 | M13-V458 HydrophobicContact SD-CG1 4.07Å; M13-V458 HydrophobicContact SD-CG2 4.44Å; V410-V458 HydrophobicContact CG2-CG1 4.19Å; K414-V458 WeakPolarHBondContact CA-O 3.26Å; V415-V458 HydrophobicContact CG1-CB 3.92Å; V415-V458 PolarHBondContact N-O 2.63Å; V415-V458 PolarHBondContact O-N 3.29Å; I455-V458 HydrophobicContact CG2-CG2 3.71Å; V458-N462 HydrophobicContact CG1-CB 3.75Å; V458-C464 HydrophobicContact CB-CB 4.25Å; V458-C464 HydrophobicContact CG1-CB 4.08Å; V458-C464 HydrophobicContact CG2-CB 3.74Å |
| 459 | P | 97.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 158.5 | 179.2 | 32.2 | -34.5 | 0 | 0 | 0 | 113.1 | M13 V384 K414 N462 | M13-P459 HydrophobicContact CB-CG 3.71Å; V384-P459 HydrophobicContact CG2-CB 3.71Å; K414-P459 HydrophobicContact CG-CB 3.96Å; P459-N462 PolarHBondContact O-N 3.31Å; P459-N462 PolarHBondContact O-ND2 3.11Å; P459-N462 VanDerWaalsContact O-ND2 3.1Å |
| 460 | S | 97.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.3 | 137.2 | 172.3 | 64.4 | 0 | 0 | 0 | 0 | 113 | K16 C382 V410 G413 | K16-S460 VanDerWaalsContact CD-O 3.29Å; K16-S460 WeakPolarHBondContact CD-O 3.32Å; C382-S460 PolarHBondContact O-OG 3.02Å; C382-S460 VanDerWaalsContact O-OG 3.1Å; V410-S460 CarbonylContact O-C 3.54Å; V410-S460 WeakPolarHBondContact O-CA 3.36Å; G413-S460 WeakPolarHBondContact O-CB 3.47Å; G413-S460 PolarHBondContact O-N 3.18Å |
| 461 | G | 96.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.8 | -3.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | N21 V410 | N21-G461 PolarHBondContact ND2-O 2.75Å; V410-G461 PolarHBondContact O-N 3.17Å |
| 462 | N | 97.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -119.4 | 158.4 | -175.9 | -61.5 | -83.5 | 0 | 0 | 0 | 112.4 | M13 V410 V458 P459 | M13-N462 HydrophobicContact CG-CB 4.36Å; M13-N462 PolarHBondContact O-ND2 3.35Å; M13-N462 HydrophobicContact SD-CB 4.36Å; V410-N462 PolarHBondContact N-O 3.48Å; V458-N462 HydrophobicContact CG1-CB 3.75Å; P459-N462 PolarHBondContact O-N 3.31Å; P459-N462 PolarHBondContact O-ND2 3.11Å; P459-N462 VanDerWaalsContact O-ND2 3.1Å | ||
| 463 | I | 95.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 148.4 | 175.4 | 60.7 | 166.1 | 0 | 0 | 0 | 110.9 | A74 N113 I115 V133 F407 G408 R409 | A74-I463 HydrophobicContact CB-CD1 4.13Å; N113-I463 HydrophobicContact CB-CD1 3.72Å; N113-I463 HydrophobicContact CB-CG1 3.88Å; I115-I463 HydrophobicContact CG1-CD1 4.49Å; V133-I463 HydrophobicContact CB-CG2 4.28Å; F407-I463 HydrophobicContact CE2-CB 4.22Å; F407-I463 HydrophobicContact CE2-CD1 4.03Å; F407-I463 HydrophobicContact CZ-CB 4.26Å; F407-I463 HydrophobicContact CZ-CD1 3.84Å; G408-I463 VanDerWaalsContact O-CA 3.3Å; G408-I463 WeakPolarHBondContact O-CA 3.43Å; R409-I463 HydrophobicContact CB-CG2 4.13Å; R409-I463 HydrophobicContact CG-CG2 4.47Å |
| 464 | C | 94.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 167.6 | 174.3 | 63.7 | 0 | 0 | 0 | 0 | 112.5 | M390 G408 V458 | M390-C464 VanDerWaalsContact CE-SG 3.53Å; G408-C464 PolarHBondContact N-O 3.38Å; G408-C464 PolarHBondContact O-N 3.18Å; V458-C464 HydrophobicContact CB-CB 4.25Å; V458-C464 HydrophobicContact CG1-CB 4.08Å; V458-C464 HydrophobicContact CG2-CB 3.74Å |
| 465 | G | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 142.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A406 V445 | A406-G465 WeakPolarHBondContact O-CA 3.29Å; V445-G465 WeakPolarHBondContact CG2-O 3.19Å; V445-G465 PolarHBondContact N-O 2.98Å; V445-G465 PolarHBondContact O-N 3.17Å |
| 466 | L | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 140.5 | 171.4 | -54.8 | -173.6 | 0 | 0 | 0 | 111.3 | M390 I392 Y405 A406 V415 I441 R443 T444 V469 I479 | M390-L466 HydrophobicContact CE-CD1 3.97Å; M390-L466 HydrophobicContact CE-CD2 4.21Å; M390-L466 HydrophobicContact CE-CG 3.82Å; M390-L466 HydrophobicContact SD-CD1 3.65Å; M390-L466 HydrophobicContact SD-CD2 4.34Å; M390-L466 HydrophobicContact SD-CG 4.11Å; I392-L466 HydrophobicContact CD1-CD1 4.32Å; Y405-L466 WeakPolarHBondContact CA-O 3.43Å; A406-L466 HydrophobicContact CB-CB 4.34Å; A406-L466 PolarHBondContact N-O 3.36Å; A406-L466 PolarHBondContact O-N 2.97Å; V415-L466 HydrophobicContact CG1-CD2 4.21Å; V415-L466 HydrophobicContact CG2-CD1 4.2Å; V415-L466 HydrophobicContact CG2-CD2 3.83Å; I441-L466 HydrophobicContact CD1-CD1 4.05Å; I441-L466 HydrophobicContact CG2-CB 4.42Å; I441-L466 HydrophobicContact CG2-CD1 4.29Å; I441-L466 HydrophobicContact CG2-CD2 4Å; I441-L466 HydrophobicContact CG2-CG 4.48Å; R443-L466 WeakPolarHBondContact O-CA 3.26Å; T444-L466 HydrophobicContact CG2-CD2 3.59Å; L466-V469 HydrophobicContact CB-CG2 3.83Å; L466-V469 HydrophobicContact CD1-CG2 3.97Å; L466-I479 HydrophobicContact CD1-CD1 3.41Å; L466-I479 VanDerWaalsContact CD1-CD1 3.41Å |
| 467 | V | 93.4 | Very high | 93 | Very high | 37 Ų | 37 | 18.1 Ų | 18.1 | 22% | 0.224 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 136.2 | 175.4 | -176.5 | 0 | 0 | 0 | 0 | 110.4 | Y405 Q442 R443 V445 | Y405-V467 HydrophobicContact CD1-CG2 3.76Å; Y405-V467 HydrophobicContact CE1-CG2 3.66Å; Q442-V467 HydrophobicContact CB-CB 4.45Å; Q442-V467 HydrophobicContact CB-CG1 4.46Å; Q442-V467 WeakPolarHBondContact CB-O 3.32Å; Q442-V467 PolarHBondContact N-O 3.18Å; R443-V467 HydrophobicContact CB-CB 3.86Å; R443-V467 HydrophobicContact CB-CG2 3.82Å; R443-V467 PolarHBondContact O-N 3.4Å; V445-V467 HydrophobicContact CG1-CG2 4.2Å |
| 468 | G | 91 | Very high | 93.1 | Very high | 4 Ų | 4 | 16.9 Ų | 16.9 | 4% | 0.041 | 9% | 0.089 | C | C | . | . | S | Bend | trans | 88.2 | -3.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | D470 F472 | G468-D470 VanDerWaalsContact C-N 3.32Å; G468-D470 WeakPolarHBondContact CA-OD1 3.37Å; G468-F472 WeakPolarHBondContact O-CE2 3.48Å |
| 469 | V | 93.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -75.2 | -25.7 | 175.1 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | A406 I423 I441 L466 Q471 F472 L473 I479 | A406-V469 HydrophobicContact CB-CB 3.69Å; A406-V469 HydrophobicContact CB-CG1 3.81Å; A406-V469 HydrophobicContact CB-CG2 4.47Å; I423-V469 HydrophobicContact CD1-CG1 4.44Å; I423-V469 HydrophobicContact CD1-CG2 4.37Å; I423-V469 HydrophobicContact CG2-CG1 4.26Å; I441-V469 HydrophobicContact CD1-CG2 3.91Å; L466-V469 HydrophobicContact CB-CG2 3.83Å; L466-V469 HydrophobicContact CD1-CG2 3.97Å; V469-Q471 PolarHBondContact O-N 3.3Å; V469-F472 PolarHBondContact O-N 2.68Å; V469-L473 HydrophobicContact CG1-CB 4.43Å; V469-L473 HydrophobicContact CG1-CD1 3.72Å; V469-L473 HydrophobicContact CG1-CG 4.1Å; V469-L473 PolarHBondContact O-N 2.72Å; V469-L473 VanDerWaalsContact O-N 3.09Å; V469-I479 HydrophobicContact CG1-CD1 4.09Å; V469-I479 HydrophobicContact CG2-CD1 4.11Å |
| 470 | D | 89.9 | Confident | 93.1 | Very high | 5 Ų | 5 | 16.9 Ų | 16.9 | 3% | 0.027 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -59.1 | -16 | 178.6 | 66.4 | -42.5 | 0 | 0 | 0 | 114.5 | M395 F404 G468 F472 K523 | M395-D470 HydrophobicContact SD-CB 4.28Å; F404-D470 HydrophobicContact CB-CB 3.81Å; F404-D470 PolarHBondContact N-OD2 3.39Å; F404-D470 VanDerWaalsContact N-OD2 3.13Å; G468-D470 VanDerWaalsContact C-N 3.32Å; G468-D470 WeakPolarHBondContact CA-OD1 3.37Å; D470-F472 VanDerWaalsContact C-N 3.33Å; D470-K523 PolarHBondContact O-NZ 3.48Å |
| 471 | Q | 88.6 | Confident | 93 | Very high | 104 Ų | 104 | 19.5 Ų | 19.5 | 49% | 0.486 | 11% | 0.105 | S | C | . | . | G | 310 helix | trans | -75.1 | -23.4 | 173.5 | -61.1 | -173 | -12 | 0 | 0 | 113.1 | V469 | V469-Q471 PolarHBondContact O-N 3.3Š|
| 472 | F | 91.4 | Very high | 93 | Very high | 44 Ų | 44 | 20.7 Ų | 20.7 | 19% | 0.193 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -31.5 | -172.4 | -50.7 | -68.3 | 0 | 0 | 0 | 112.3 | I423 Y437 K439 G468 V469 D470 | I423-F472 HydrophobicContact CD1-CB 4.4Å; I423-F472 HydrophobicContact CD1-CD2 3.6Å; I423-F472 HydrophobicContact CD1-CE2 4.27Å; I423-F472 HydrophobicContact CD1-CG 4.22Å; I423-F472 HydrophobicContact CG2-CB 4.11Å; Y437-F472 AromaticContact CD1-CD1 3.8Å; Y437-F472 HydrophobicContact CD1-CD1 3.8Å; Y437-F472 HydrophobicContact CD2-CB 3.85Å; Y437-F472 HydrophobicContact CD2-CD1 4.46Å; Y437-F472 HydrophobicContact CE1-CD1 4.38Å; Y437-F472 HydrophobicContact CE2-CB 4.31Å; Y437-F472 HydrophobicContact CG-CB 4.03Å; Y437-F472 AromaticContact CG-CD1 3.84Å; Y437-F472 HydrophobicContact CG-CD1 3.84Å; Y437-F472 HydrophobicContact CG-CG 4.2Å; K439-F472 HydrophobicContact CB-CE2 4.14Å; K439-F472 HydrophobicContact CB-CZ 4.35Å; K439-F472 HydrophobicContact CD-CE1 4.13Å; K439-F472 HydrophobicContact CD-CE2 4.42Å; K439-F472 HydrophobicContact CD-CZ 3.78Å; K439-F472 HydrophobicContact CG-CD1 4.44Å; K439-F472 HydrophobicContact CG-CD2 4.32Å; K439-F472 HydrophobicContact CG-CE1 3.91Å; K439-F472 HydrophobicContact CG-CE2 3.77Å; K439-F472 HydrophobicContact CG-CZ 3.56Å; G468-F472 WeakPolarHBondContact O-CE2 3.48Å; V469-F472 PolarHBondContact O-N 2.68Å; D470-F472 VanDerWaalsContact C-N 3.33Å |
| 473 | L | 90.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | trans | -106.9 | 141.2 | 176.4 | -64.8 | -178.8 | 0 | 0 | 0 | 110.8 | I392 M395 I423 V469 | I392-L473 HydrophobicContact CB-CD1 4.14Å; I392-L473 HydrophobicContact CG1-CD1 3.96Å; M395-L473 HydrophobicContact CE-CB 3.48Å; M395-L473 VanDerWaalsContact CE-CB 3.48Å; I423-L473 HydrophobicContact CG2-CD1 3.81Å; I423-L473 HydrophobicContact CG2-CD2 3.84Å; I423-L473 HydrophobicContact CG2-CG 3.55Å; V469-L473 HydrophobicContact CG1-CB 4.43Å; V469-L473 HydrophobicContact CG1-CD1 3.72Å; V469-L473 HydrophobicContact CG1-CG 4.1Å; V469-L473 PolarHBondContact O-N 2.72Å; V469-L473 VanDerWaalsContact O-N 3.09Å | ||
| 474 | V | 84.6 | Confident | 92.6 | Very high | 82 Ų | 82 | 35.3 Ų | 35.3 | 50% | 0.497 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -88.2 | -55.2 | 174.9 | -173.4 | 0 | 0 | 0 | 0 | 110.7 | M395 K523 | M395-V474 WeakPolarHBondContact CG-O 3.28Å; V474-K523 HydrophobicContact CG1-CG 3.83Å; V474-K523 WeakPolarHBondContact O-CA 3.45Å; V474-K523 WeakPolarHBondContact O-CB 3.43Å; V474-K523 WeakPolarHBondContact O-CG 3.35Å |
| 475 | K | 84.4 | Confident | 92.5 | Very high | 56 Ų | 56 | 35.3 Ų | 35.3 | 24% | 0.243 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -121 | -65.4 | -174.7 | -67.7 | -179 | 171 | -173.4 | 0 | 112.1 | A522 D525 P526 V528 | K475-A522 WeakPolarHBondContact CE-O 3.12Å; K475-A522 WeakPolarHBondContact CG-O 3.15Å; K475-D525 WeakPolarHBondContact CE-O 3.49Å; K475-P526 WeakPolarHBondContact CD-O 3.45Å; K475-P526 WeakPolarHBondContact CE-O 3.22Å; K475-P526 PolarHBondContact NZ-O 3.26Å; K475-V528 PolarHBondContact NZ-O 3.25Å |
| 476 | S | 89.9 | Confident | 92.5 | Very high | 11 Ų | 11 | 37.7 Ų | 37.7 | 8% | 0.077 | 19% | 0.187 | C | C | . | . | trans | -130.8 | 165.8 | -177.8 | 59.8 | 0 | 0 | 0 | 0 | 110.8 | I392 | I392-S476 WeakPolarHBondContact O-CA 3.21Å; I392-S476 WeakPolarHBondContact O-CB 3.32Å | ||
| 477 | G | 93.7 | Very high | 92.4 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.3 | 172.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I392 Q424 | I392-G477 PolarHBondContact N-O 3.36Å; I392-G477 PolarHBondContact O-N 3.25Å; Q424-G477 CarbonylContact O-C 3.58Å; Q424-G477 VanDerWaalsContact O-CA 3.29Å; Q424-G477 WeakPolarHBondContact O-CA 3.43Å |
| 478 | T | 97 | Very high | 92.3 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 133.3 | 178.7 | -51.3 | 0 | 0 | 0 | 0 | 109 | M389 Q424 M488 | M389-T478 HydrophobicContact CE-CG2 3.93Å; Q424-T478 WeakPolarHBondContact CB-O 3.32Å; Q424-T478 PolarHBondContact N-O 3.2Å; Q424-T478 PolarHBondContact O-N 3.25Å; T478-M488 HydrophobicContact CG2-CG 4.02Å; T478-M488 PolarHBondContact OG1-N 2.95Å |
| 479 | I | 97.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 124.3 | 173.6 | -59.8 | 177.3 | 0 | 0 | 0 | 107.8 | L388 M390 I392 A421 R422 I423 I441 L466 V469 | L388-I479 HydrophobicContact CD2-CG2 4.1Å; M390-I479 HydrophobicContact CB-CB 4.21Å; M390-I479 PolarHBondContact N-O 3.3Å; M390-I479 PolarHBondContact O-N 3.21Å; I392-I479 HydrophobicContact CD1-CD1 3.75Å; I392-I479 HydrophobicContact CG1-CD1 3.72Å; I392-I479 HydrophobicContact CG1-CG1 4.17Å; A421-I479 HydrophobicContact CB-CG2 3.65Å; R422-I479 CarbonylContact O-C 3.25Å; R422-I479 VanDerWaalsContact O-CA 3.31Å; R422-I479 WeakPolarHBondContact O-CA 3.09Å; I423-I479 HydrophobicContact CG1-CG1 4.49Å; I441-I479 HydrophobicContact CD1-CG2 4.45Å; L466-I479 HydrophobicContact CD1-CD1 3.41Å; L466-I479 VanDerWaalsContact CD1-CD1 3.41Å; V469-I479 HydrophobicContact CG1-CD1 4.09Å; V469-I479 HydrophobicContact CG2-CD1 4.11Å |
| 480 | S | 97.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 153 | -177.4 | -173.7 | 0 | 0 | 0 | 0 | 114.3 | L388 M389 R422 F482 A485 | L388-S480 WeakPolarHBondContact O-CA 3.18Å; L388-S480 WeakPolarHBondContact O-CB 3.46Å; L388-S480 PolarHBondContact O-OG 3.38Å; M389-S480 VanDerWaalsContact SD-CB 3.6Å; M389-S480 PolarHBondContact SD-OG 2.88Å; R422-S480 WeakPolarHBondContact CA-O 3.48Å; R422-S480 VanDerWaalsContact CB-O 3.29Å; R422-S480 WeakPolarHBondContact CB-O 3.44Å; R422-S480 PolarHBondContact N-O 3.17Å; R422-S480 PolarHBondContact O-N 3.36Å; S480-F482 PolarHBondContact OG-N 2.81Å; S480-A485 WeakPolarHBondContact OG-CB 3.45Å |
| 481 | T | 96.9 | Very high | 90.8 | Very high | 56 Ų | 56 | 44.4 Ų | 44.4 | 34% | 0.344 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -98.4 | -8.2 | 164.9 | 53.9 | 0 | 0 | 0 | 0 | 113 | L388 M419 | L388-T481 HydrophobicContact CB-CG2 3.87Å; L388-T481 HydrophobicContact CD2-CG2 4.34Å; L388-T481 PolarHBondContact N-OG1 3.46Å; L388-T481 PolarHBondContact O-N 2.97Å; M419-T481 HydrophobicContact CE-CG2 3.97Å; M419-T481 HydrophobicContact SD-CG2 4.26Å |
| 482 | F | 95.5 | Very high | 89.7 | Confident | 25 Ų | 25 | 45.9 Ų | 45.9 | 11% | 0.11 | 22% | 0.219 | C | C | . | . | trans | -81.8 | 128.1 | 178.7 | -179.8 | -128.5 | 0 | 0 | 0 | 110.7 | D373 E374 A375 P387 R422 S480 E484 A485 | D373-F482 HydrophobicContact CB-CE1 4.49Å; E374-F482 HydrophobicContact CB-CE2 4.11Å; E374-F482 HydrophobicContact CB-CZ 4.25Å; A375-F482 HydrophobicContact CB-CD1 3.63Å; A375-F482 HydrophobicContact CB-CE1 4.12Å; A375-F482 HydrophobicContact CB-CG 4.37Å; P387-F482 HydrophobicContact CB-CB 3.67Å; P387-F482 HydrophobicContact CB-CG 4.48Å; P387-F482 HydrophobicContact CG-CB 4.3Å; R422-F482 WeakPolarHBondContact CD-O 3.21Å; S480-F482 PolarHBondContact OG-N 2.81Å; F482-E484 VanDerWaalsContact C-N 3.34Å; F482-E484 HydrophobicContact CD1-CB 4.41Å; F482-E484 HydrophobicContact CE1-CB 3.71Å; F482-E484 HydrophobicContact CE2-CB 4.3Å; F482-E484 HydrophobicContact CZ-CB 3.64Å; F482-E484 HydrophobicContact CZ-CG 4.45Å; F482-E484 PolarHBondContact O-N 2.93Å; F482-A485 HydrophobicContact CB-CB 4.08Å; F482-A485 HydrophobicContact CD1-CB 3.9Å; F482-A485 HydrophobicContact CG-CB 4.41Å; F482-A485 VanDerWaalsContact O-CB 3.25Å; F482-A485 WeakPolarHBondContact O-CB 3.42Å; F482-A485 PolarHBondContact O-N 2.96Å | ||
| 483 | K | 92.6 | Very high | 88.4 | Confident | 167 Ų | 167 | 47.3 Ų | 47.3 | 73% | 0.726 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -34.1 | -173.4 | -72.3 | -176.9 | 178.7 | 177.1 | 0 | 112.9 | R422 A485 | R422-K483 PolarHBondContact NH2-O 2.8Å; K483-A485 VanDerWaalsContact C-N 3.33Å |
| 484 | E | 91.9 | Very high | 87 | Confident | 144 Ų | 144 | 49.7 Ų | 49.7 | 67% | 0.673 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 12.4 | -179.5 | -59 | 174.2 | -177.5 | 0 | 0 | 111.9 | F482 H486 | F482-E484 VanDerWaalsContact C-N 3.34Å; F482-E484 HydrophobicContact CD1-CB 4.41Å; F482-E484 HydrophobicContact CE1-CB 3.71Å; F482-E484 HydrophobicContact CE2-CB 4.3Å; F482-E484 HydrophobicContact CZ-CB 3.64Å; F482-E484 HydrophobicContact CZ-CG 4.45Å; F482-E484 PolarHBondContact O-N 2.93Å; E484-H486 PolarHBondContact O-N 2.96Å; E484-H486 PolarHBondContact O-ND1 3.41Å |
| 485 | A | 92.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -57.4 | 128.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | M389 Q424 S480 F482 K483 | M389-A485 HydrophobicContact CE-CB 4.39Å; M389-A485 HydrophobicContact SD-CB 4.08Å; Q424-A485 PolarHBondContact NE2-O 3.34Å; S480-A485 WeakPolarHBondContact OG-CB 3.45Å; F482-A485 HydrophobicContact CB-CB 4.08Å; F482-A485 HydrophobicContact CD1-CB 3.9Å; F482-A485 HydrophobicContact CG-CB 4.41Å; F482-A485 VanDerWaalsContact O-CB 3.25Å; F482-A485 WeakPolarHBondContact O-CB 3.42Å; F482-A485 PolarHBondContact O-N 2.96Å; K483-A485 VanDerWaalsContact C-N 3.33Å |
| 486 | H | 94.6 | Very high | 85.6 | Confident | 49 Ų | 49 | 45.8 Ų | 45.8 | 23% | 0.227 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -84.5 | 165.5 | 167 | -66.6 | 57 | 0 | 0 | 0 | 110.1 | Y367 E368 P430 E484 | Y367-H486 HydrophobicContact CE2-CB 3.8Å; Y367-H486 WeakPolarHBondContact CE2-O 3.18Å; Y367-H486 PolarHBondContact OH-N 3.17Å; Y367-H486 VanDerWaalsContact OH-N 3.16Å; E368-H486 HydrophobicContact CB-CB 4.4Å; P430-H486 HydrophobicContact CG-CB 4.3Å; P430-H486 WeakPolarHBondContact CG-CD2 3Å; P430-H486 WeakPolarHBondContact CG-NE2 3.36Å; E484-H486 PolarHBondContact O-N 2.96Å; E484-H486 PolarHBondContact O-ND1 3.41Å |
| 487 | N | 93.7 | Very high | 85.1 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 148.9 | 173.3 | -89.5 | -9 | 0 | 0 | 0 | 111 | E368 Q424 G425 Y428 | E368-N487 VanDerWaalsContact CB-O 3.24Å; E368-N487 WeakPolarHBondContact CB-O 3.46Å; E368-N487 WeakPolarHBondContact CG-O 2.83Å; E368-N487 PolarHBondContact N-O 2.98Å; Q424-N487 VanDerWaalsContact CB-OD1 3.22Å; Q424-N487 WeakPolarHBondContact CB-OD1 3.41Å; G425-N487 PolarHBondContact O-ND2 3.43Å; Y428-N487 PolarHBondContact O-ND2 2.97Å |
| 488 | M | 92.9 | Very high | 84.6 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -74.6 | 138.9 | 155.5 | -63.3 | -174.3 | 65.4 | 0 | 0 | 108.8 | L366 M379 M389 Y391 F411 T478 V490 | L366-M488 HydrophobicContact CB-CE 3.75Å; L366-M488 HydrophobicContact CD1-CE 4.14Å; L366-M488 HydrophobicContact CG-CE 4.48Å; L366-M488 CarbonylContact O-C 3.57Å; L366-M488 WeakPolarHBondContact O-CA 3.38Å; L366-M488 WeakPolarHBondContact O-CB 3.04Å; M379-M488 HydrophobicContact CE-CE 3.6Å; M379-M488 HydrophobicContact CE-CG 4.4Å; M379-M488 HydrophobicContact CE-SD 3.94Å; M389-M488 HydrophobicContact CE-CG 4.44Å; Y391-M488 HydrophobicContact CD2-CB 3.75Å; Y391-M488 HydrophobicContact CD2-SD 4.33Å; Y391-M488 HydrophobicContact CE2-CB 4.23Å; Y391-M488 HydrophobicContact CG-SD 4.42Å; F411-M488 HydrophobicContact CD1-CE 4.4Å; F411-M488 HydrophobicContact CD2-CE 3.63Å; F411-M488 HydrophobicContact CD2-SD 3.89Å; F411-M488 HydrophobicContact CE1-CE 4.31Å; F411-M488 HydrophobicContact CE2-CE 3.53Å; F411-M488 HydrophobicContact CE2-SD 4.17Å; F411-M488 HydrophobicContact CG-CE 4.09Å; F411-M488 HydrophobicContact CZ-CE 3.89Å; T478-M488 HydrophobicContact CG2-CG 4.02Å; T478-M488 PolarHBondContact OG1-N 2.95Å; M488-V490 PolarHBondContact O-N 3.01Å |
| 489 | R | 87.2 | Confident | 84.1 | Confident | 111 Ų | 111 | 46 Ų | 46 | 42% | 0.419 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -51 | 129.3 | -173.7 | -72.2 | -168.9 | -165.9 | 169 | 1.3 | 111.4 | R132 E364 L365 L366 E368 | R132-R489 PolarHBondContact NH1-O 2.86Å; E364-R489 PolarHBondContact O-NH2 3.45Å; L365-R489 WeakPolarHBondContact O-CD 3.43Å; L365-R489 PolarHBondContact O-NE 2.83Å; L365-R489 VanDerWaalsContact O-NE 3.17Å; L365-R489 PolarHBondContact O-NH1 2.87Å; L366-R489 PolarHBondContact O-N 3.21Å; E368-R489 HydrophobicContact CG-CB 4.37Å; E368-R489 HydrophobicContact CG-CG 3.48Å; E368-R489 VanDerWaalsContact CG-CG 3.48Å; E368-R489 WeakPolarHBondContact OE1-CA 3.42Å |
| 490 | V | 80.7 | Confident | 83.8 | Confident | 61 Ų | 61 | 47.1 Ų | 47.1 | 37% | 0.37 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -62.5 | 144.2 | 173.4 | -173.7 | 0 | 0 | 0 | 0 | 109.6 | P426 M488 | P426-V490 HydrophobicContact CB-CG1 4.41Å; P426-V490 HydrophobicContact CB-CG2 3.75Å; M488-V490 PolarHBondContact O-N 3.01Å |
| 491 | M | 73.8 | Confident | 83.5 | Confident | 12 Ų | 12 | 47.3 Ų | 47.3 | 6% | 0.059 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -64.8 | 134.9 | 176.8 | -68.2 | 176.7 | -71.2 | 0 | 0 | 110.4 | T128 A129 R132 S393 F493 | T128-M491 HydrophobicContact CG2-CB 4.35Å; T128-M491 HydrophobicContact CG2-CG 4.28Å; T128-M491 HydrophobicContact CG2-SD 4.23Å; A129-M491 VanDerWaalsContact CA-SD 3.55Å; A129-M491 HydrophobicContact CB-CE 4.26Å; A129-M491 HydrophobicContact CB-SD 3.97Å; R132-M491 HydrophobicContact CB-SD 4.39Å; S393-M491 WeakPolarHBondContact O-CE 3.43Å; M491-F493 HydrophobicContact CB-CE1 4.43Å |
| 492 | K | 65.6 | Low | 83.2 | Confident | 134 Ų | 134 | 45.4 Ų | 45.4 | 58% | 0.583 | 22% | 0.221 | S | C | * | . | P | Polyproline II helix | trans | -91.4 | 126 | 164.5 | -69.1 | -174.5 | 175.8 | -176.6 | 0 | 107.6 | K613 | K492-K613 PolarHBondContact NZ-O 3.04Š|
| 493 | F | 65 | Low | 83.1 | Confident | 75 Ų | 75 | 44.2 Ų | 44.2 | 33% | 0.329 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -86 | 135.4 | 176.6 | -59 | -65.8 | 0 | 0 | 0 | 109.8 | M491 V495 P526 M527 | M491-F493 HydrophobicContact CB-CE1 4.43Å; F493-V495 PolarHBondContact O-N 3.42Å; F493-P526 HydrophobicContact CE1-CB 3.82Å; F493-P526 HydrophobicContact CZ-CB 3.78Å; F493-P526 WeakPolarHBondContact CZ-O 3.39Å; F493-M527 HydrophobicContact CB-CE 3.6Å; F493-M527 HydrophobicContact CB-SD 4.34Å; F493-M527 HydrophobicContact CD1-CE 4.33Å; F493-M527 HydrophobicContact CG-CE 4.02Å |
| 494 | S | 59 | Low | 83.1 | Confident | 51 Ų | 51 | 40.9 Ų | 40.9 | 36% | 0.357 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -76.6 | -4.2 | 178.1 | 57.2 | 0 | 0 | 0 | 0 | 113.7 | Q157 | Q157-S494 PolarHBondContact NE2-OG 3.48Š|
| 495 | V | 66.5 | Low | 83.3 | Confident | 8 Ų | 8 | 34.6 Ų | 34.6 | 5% | 0.048 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -131.1 | 149.5 | -176.1 | -169.7 | 0 | 0 | 0 | 0 | 108.5 | V121 S124 F493 M527 A543 F808 | V121-V495 HydrophobicContact CG2-CG2 4.27Å; S124-V495 WeakPolarHBondContact OG-CG2 3.32Å; F493-V495 PolarHBondContact O-N 3.42Å; V495-M527 HydrophobicContact CB-CE 3.76Å; V495-M527 WeakPolarHBondContact O-CE 3.45Å; V495-A543 HydrophobicContact CG1-CB 3.73Å; V495-F808 HydrophobicContact CG1-CB 4.47Å |
| 496 | S | 73.1 | Confident | 83.4 | Confident | 49 Ų | 49 | 40.3 Ų | 40.3 | 34% | 0.343 | 20% | 0.199 | S | C | . | . | trans | -110.2 | 145 | 178.1 | -70.7 | 0 | 0 | 0 | 0 | 110.5 | V498 | S496-V498 PolarHBondContact O-N 3.31Š| ||
| 497 | P | 80.9 | Confident | 83.4 | Confident | 18 Ų | 18 | 41.8 Ų | 41.8 | 12% | 0.117 | 21% | 0.209 | C | C | . | . | trans | -73.2 | 97.9 | 172.7 | 27.9 | -29.8 | 0 | 0 | 0 | 109.7 | Q529 A541 G542 | P497-Q529 VanDerWaalsContact CG-CD 3.41Å; P497-Q529 HydrophobicContact CG-CG 3.92Å; P497-A541 HydrophobicContact CB-CB 4.09Å; P497-G542 CarbonylContact C-O 3.59Å; P497-G542 WeakPolarHBondContact CA-O 3.3Å | ||
| 498 | V | 82.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -100.7 | -19.2 | -175.2 | -68.5 | 0 | 0 | 0 | 0 | 113.2 | S496 G542 S572 P737 Y739 V784 F808 | S496-V498 PolarHBondContact O-N 3.31Å; V498-G542 PolarHBondContact N-O 2.96Å; V498-G542 VanDerWaalsContact N-O 3.08Å; V498-S572 PolarHBondContact O-N 3.49Å; V498-S572 PolarHBondContact O-OG 3.36Å; V498-P737 HydrophobicContact CB-CB 4.28Å; V498-P737 HydrophobicContact CB-CG 4.22Å; V498-P737 HydrophobicContact CG1-CB 3.98Å; V498-P737 HydrophobicContact CG1-CG 4.39Å; V498-Y739 HydrophobicContact CG2-CE1 4Å; V498-Y739 WeakPolarHBondContact CG2-OH 3.46Å; V498-V784 HydrophobicContact CG2-CG1 4.06Å; V498-V784 HydrophobicContact CG2-CG2 4.19Å; V498-F808 HydrophobicContact CG1-CD2 3.85Å; V498-F808 HydrophobicContact CG1-CE2 4.3Å; V498-F808 HydrophobicContact CG1-CG 4.34Å | ||
| 499 | V | 86.7 | Confident | 83.4 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 139.6 | 178.3 | -168.1 | 0 | 0 | 0 | 0 | 109.9 | A541 G542 L548 P569 V784 F788 | V499-A541 CarbonylContact O-C 3.48Å; V499-A541 WeakPolarHBondContact O-CA 3.43Å; V499-G542 PolarHBondContact N-O 3.22Å; V499-G542 VanDerWaalsContact N-O 3.14Å; V499-G542 PolarHBondContact O-N 3Å; V499-L548 HydrophobicContact CB-CD1 3.57Å; V499-L548 HydrophobicContact CG1-CD1 3.31Å; V499-P569 HydrophobicContact CG1-CB 3.76Å; V499-V784 HydrophobicContact CG2-CG1 3.9Å; V499-F788 HydrophobicContact CG1-CE1 3.61Å; V499-F788 HydrophobicContact CG1-CZ 3.78Å; V499-F788 HydrophobicContact CG2-CE1 4.24Å |
| 500 | R | 89.9 | Confident | 83.7 | Confident | 24 Ų | 24 | 46 Ų | 46 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 143.8 | -179.5 | -66.3 | 179.9 | -177.1 | -171.6 | 7.2 | 111 | E533 I539 V540 A541 P569 V570 S572 | R500-E533 IonicContact NH1-OE1 2.78Å; R500-I539 HydrophobicContact CB-CG2 3.73Å; R500-I539 HydrophobicContact CG-CG2 3.92Å; R500-V540 CarbonylContact C-O 3.59Å; R500-V540 WeakPolarHBondContact CA-O 3.4Å; R500-A541 HydrophobicContact CG-CB 3.85Å; R500-P569 CarbonylContact O-C 3.38Å; R500-P569 WeakPolarHBondContact O-CA 3.1Å; R500-V570 HydrophobicContact CB-CG2 3.87Å; R500-V570 PolarHBondContact N-O 2.92Å; R500-V570 PolarHBondContact O-N 2.92Å; R500-S572 WeakPolarHBondContact CD-OG 3.1Å; R500-S572 WeakPolarHBondContact CG-OG 3.19Å; R500-S572 PolarHBondContact NE-OG 2.85Å |
| 501 | V | 92 | Very high | 84.3 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.03 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 129.8 | 169.8 | 168 | 0 | 0 | 0 | 0 | 108.6 | V503 I539 V540 L548 L552 K566 P569 | V501-V503 HydrophobicContact CG1-CG1 4.16Å; V501-I539 WeakPolarHBondContact O-CA 3.36Å; V501-V540 PolarHBondContact N-O 3.3Å; V501-V540 PolarHBondContact O-N 3.17Å; V501-L548 HydrophobicContact CG2-CD1 3.95Å; V501-L552 HydrophobicContact CB-CD1 4.09Å; V501-L552 HydrophobicContact CG1-CD1 3.84Å; V501-L552 HydrophobicContact CG1-CD2 4.13Å; V501-L552 HydrophobicContact CG2-CD1 4.11Å; V501-K566 HydrophobicContact CG1-CB 4.13Å; V501-P569 HydrophobicContact CG2-CB 3.87Å |
| 502 | A | 90.1 | Very high | 85.3 | Confident | 16 Ų | 16 | 50.8 Ų | 50.8 | 13% | 0.132 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 136.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | H538 I539 K566 S567 | A502-H538 CarbonylContact C-O 3.32Å; A502-H538 WeakPolarHBondContact CA-O 3.28Å; A502-I539 HydrophobicContact CB-CD1 3.59Å; A502-K566 WeakPolarHBondContact O-CA 3.31Å; A502-S567 PolarHBondContact N-OG 3.38Å; A502-S567 PolarHBondContact O-N 3.33Å |
| 503 | V | 94 | Very high | 86.6 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 135 | -179.1 | -63.9 | 0 | 0 | 0 | 0 | 111.3 | V501 L514 L518 H538 V540 L552 L555 K565 | V501-V503 HydrophobicContact CG1-CG1 4.16Å; V503-L514 HydrophobicContact CG2-CD1 4.18Å; V503-L514 HydrophobicContact CG2-CD2 4.43Å; V503-L518 HydrophobicContact CG2-CD1 4.46Å; V503-L518 HydrophobicContact CG2-CD2 4.12Å; V503-H538 HydrophobicContact CG2-CB 3.98Å; V503-H538 WeakPolarHBondContact CG2-O 3.24Å; V503-H538 PolarHBondContact N-O 3.04Å; V503-V540 HydrophobicContact CG1-CG2 4.11Å; V503-V540 HydrophobicContact CG2-CG2 3.95Å; V503-L552 HydrophobicContact CG1-CD2 3.32Å; V503-L555 HydrophobicContact CG2-CD2 4.14Å; V503-K565 WeakPolarHBondContact CA-O 3.49Å |
| 504 | E | 92.7 | Very high | 88.1 | Confident | 97 Ų | 97 | 46.1 Ų | 46.1 | 45% | 0.453 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 150.2 | 173.9 | -65.9 | -177.5 | 171.7 | 0 | 0 | 109.9 | L564 K565 | E504-L564 CarbonylContact O-C 3.58Å; E504-L564 WeakPolarHBondContact O-CA 3.27Å; E504-K565 HydrophobicContact CB-CB 4.28Å; E504-K565 PolarHBondContact N-O 3.18Å; E504-K565 PolarHBondContact O-N 2.87Å |
| 505 | P | 95.2 | Very high | 89.7 | Confident | 12 Ų | 12 | 45.5 Ų | 45.5 | 8% | 0.078 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 139.8 | 171.3 | 34.6 | -34 | 0 | 0 | 0 | 109.1 | N507 D510 L511 L514 I562 | P505-N507 WeakPolarHBondContact CB-O 3.26Å; P505-N507 PolarHBondContact O-N 3.17Å; P505-D510 HydrophobicContact CB-CB 4.15Å; P505-L511 HydrophobicContact CG-CB 4.31Å; P505-L511 HydrophobicContact CG-CD1 4.33Å; P505-L514 HydrophobicContact CG-CD2 4.45Å; P505-I562 HydrophobicContact CB-CD1 3.82Å |
| 506 | K | 95.1 | Very high | 90.9 | Very high | 119 Ų | 119 | 48.9 Ų | 48.9 | 52% | 0.517 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -60 | -35.3 | 174.1 | -72.7 | -167.7 | -167.2 | 171.4 | 0 | 112 | P563 L564 K565 | K506-P563 HydrophobicContact CB-CB 4.43Å; K506-P563 HydrophobicContact CB-CG 4.22Å; K506-P563 HydrophobicContact CD-CB 3.87Å; K506-P563 HydrophobicContact CD-CG 4.4Å; K506-P563 HydrophobicContact CG-CB 4.18Å; K506-P563 PolarHBondContact N-O 3.04Å; K506-L564 WeakPolarHBondContact CE-O 3.24Å; K506-K565 HydrophobicContact CG-CG 3.84Å |
| 507 | N | 93.7 | Very high | 91.8 | Very high | 80 Ų | 80 | 46.5 Ų | 46.5 | 43% | 0.428 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -104.1 | 116.9 | 172.7 | 179.2 | 7.8 | 0 | 0 | 0 | 109.7 | P505 A509 D510 | P505-N507 WeakPolarHBondContact CB-O 3.26Å; P505-N507 PolarHBondContact O-N 3.17Å; N507-A509 PolarHBondContact O-N 2.87Å; N507-A509 PolarHBondContact OD1-N 3.28Å; N507-D510 WeakPolarHBondContact CB-OD2 3.43Å; N507-D510 PolarHBondContact ND2-OD2 3.04Å; N507-D510 WeakPolarHBondContact O-CB 3.37Å; N507-D510 PolarHBondContact O-N 2.74Å |
| 508 | P | 91.5 | Very high | 92.5 | Very high | 104 Ų | 104 | 45.7 Ų | 45.7 | 68% | 0.675 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -54.7 | -28.4 | 179.5 | -27.9 | 35.6 | 0 | 0 | 0 | 114.7 | D510 L511 | P508-D510 PolarHBondContact O-N 3.39Å; P508-L511 WeakPolarHBondContact O-CB 3.29Å; P508-L511 PolarHBondContact O-N 3.13Å |
| 509 | A | 94.9 | Very high | 92.8 | Very high | 75 Ų | 75 | 51 Ų | 51 | 62% | 0.62 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -64.6 | -19.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N507 L511 P512 | N507-A509 PolarHBondContact O-N 2.87Å; N507-A509 PolarHBondContact OD1-N 3.28Å; A509-L511 VanDerWaalsContact C-N 3.33Å; A509-P512 WeakPolarHBondContact O-CD 3.38Å |
| 510 | D | 95.5 | Very high | 93 | Very high | 27 Ų | 27 | 53.5 Ų | 53.5 | 14% | 0.144 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -88.5 | 3.3 | 179.3 | -71.1 | -52 | 0 | 0 | 0 | 113.4 | P505 N507 P508 P512 K513 L514 I562 | P505-D510 HydrophobicContact CB-CB 4.15Å; N507-D510 WeakPolarHBondContact CB-OD2 3.43Å; N507-D510 PolarHBondContact ND2-OD2 3.04Å; N507-D510 WeakPolarHBondContact O-CB 3.37Å; N507-D510 PolarHBondContact O-N 2.74Å; P508-D510 PolarHBondContact O-N 3.39Å; D510-P512 VanDerWaalsContact C-CD 3.41Å; D510-P512 VanDerWaalsContact C-N 3.31Å; D510-K513 HydrophobicContact CB-CD 4.47Å; D510-K513 WeakPolarHBondContact O-CA 3.29Å; D510-K513 WeakPolarHBondContact O-CB 3.3Å; D510-K513 PolarHBondContact O-N 2.89Å; D510-K513 WeakPolarHBondContact OD1-CD 3.43Å; D510-K513 WeakPolarHBondContact OD1-CE 3.49Å; D510-K513 IonicContact OD1-NZ 3.78Å; D510-K513 PolarHBondContact OD1-NZ 2.91Å; D510-L514 PolarHBondContact O-N 2.95Å; D510-I562 HydrophobicContact CB-CB 4.4Å; D510-I562 HydrophobicContact CB-CD1 3.82Å; D510-I562 HydrophobicContact CB-CG2 3.96Å |
| 511 | L | 93 | Very high | 93.1 | Very high | 76 Ų | 76 | 52.4 Ų | 52.4 | 40% | 0.398 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -49.2 | -42.7 | 177.1 | -175.1 | 66.4 | 0 | 0 | 0 | 113.9 | P505 P508 A509 K513 L514 V515 H538 | P505-L511 HydrophobicContact CG-CB 4.31Å; P505-L511 HydrophobicContact CG-CD1 4.33Å; P508-L511 WeakPolarHBondContact O-CB 3.29Å; P508-L511 PolarHBondContact O-N 3.13Å; A509-L511 VanDerWaalsContact C-N 3.33Å; L511-K513 VanDerWaalsContact C-N 3.27Å; L511-K513 PolarHBondContact O-N 2.76Å; L511-L514 WeakPolarHBondContact O-CB 3.49Å; L511-L514 PolarHBondContact O-N 2.9Å; L511-L514 VanDerWaalsContact O-N 3.14Å; L511-V515 WeakPolarHBondContact O-CG2 3.31Å; L511-V515 PolarHBondContact O-N 3.24Å; L511-H538 VanDerWaalsContact CD1-NE2 3.33Å; L511-H538 WeakPolarHBondContact CD1-NE2 3.36Å |
| 512 | P | 93.9 | Very high | 93 | Very high | 96 Ų | 96 | 53 Ų | 53 | 62% | 0.623 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -61.4 | -34.1 | 176.1 | -23.6 | 35.5 | 0 | 0 | 0 | 113.4 | A509 D510 E516 | A509-P512 WeakPolarHBondContact O-CD 3.38Å; D510-P512 VanDerWaalsContact C-CD 3.41Å; D510-P512 VanDerWaalsContact C-N 3.31Å; P512-E516 WeakPolarHBondContact O-CB 3.4Å; P512-E516 PolarHBondContact O-N 3.33Å; P512-E516 VanDerWaalsContact O-N 3.1Å |
| 513 | K | 94 | Very high | 92.9 | Very high | 111 Ų | 111 | 54.6 Ų | 54.6 | 48% | 0.483 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -71.5 | -36.2 | 176.1 | -63.4 | 176.9 | -174 | 158.6 | 0 | 111.4 | D510 L511 G517 I562 | D510-K513 HydrophobicContact CB-CD 4.47Å; D510-K513 WeakPolarHBondContact O-CA 3.29Å; D510-K513 WeakPolarHBondContact O-CB 3.3Å; D510-K513 PolarHBondContact O-N 2.89Å; D510-K513 WeakPolarHBondContact OD1-CD 3.43Å; D510-K513 WeakPolarHBondContact OD1-CE 3.49Å; D510-K513 IonicContact OD1-NZ 3.78Å; D510-K513 PolarHBondContact OD1-NZ 2.91Å; L511-K513 VanDerWaalsContact C-N 3.27Å; L511-K513 PolarHBondContact O-N 2.76Å; K513-G517 PolarHBondContact O-N 3.02Å; K513-I562 HydrophobicContact CB-CD1 4.29Å; K513-I562 HydrophobicContact CB-CG2 4.15Å; K513-I562 HydrophobicContact CD-CG2 3.63Å |
| 514 | L | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.6 | -50.5 | 173.2 | 179.6 | 58.2 | 0 | 0 | 0 | 111 | V503 P505 D510 L511 E516 G517 L518 L555 I562 L564 | V503-L514 HydrophobicContact CG2-CD1 4.18Å; V503-L514 HydrophobicContact CG2-CD2 4.43Å; P505-L514 HydrophobicContact CG-CD2 4.45Å; D510-L514 PolarHBondContact O-N 2.95Å; L511-L514 WeakPolarHBondContact O-CB 3.49Å; L511-L514 PolarHBondContact O-N 2.9Å; L511-L514 VanDerWaalsContact O-N 3.14Å; L514-E516 VanDerWaalsContact C-N 3.3Å; L514-E516 PolarHBondContact O-N 3.03Å; L514-G517 CarbonylContact O-C 3.5Å; L514-G517 PolarHBondContact O-N 3.08Å; L514-G517 VanDerWaalsContact O-N 3.12Å; L514-L518 HydrophobicContact CD1-CD1 4.14Å; L514-L518 HydrophobicContact CD1-CG 4.08Å; L514-L518 HydrophobicContact CG-CD1 3.95Å; L514-L518 HydrophobicContact CG-CG 4.36Å; L514-L518 WeakPolarHBondContact O-CG 3.34Å; L514-L518 PolarHBondContact O-N 2.97Å; L514-L555 HydrophobicContact CD1-CD1 4.43Å; L514-L555 HydrophobicContact CD1-CD2 3.94Å; L514-L555 HydrophobicContact CD1-CG 4.32Å; L514-I562 HydrophobicContact CB-CD1 3.92Å; L514-L564 HydrophobicContact CD1-CD2 3.76Å |
| 515 | V | 92.8 | Very high | 92.2 | Very high | 39 Ų | 39 | 50.5 Ų | 50.5 | 24% | 0.236 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.1 | -43.3 | -180 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | L511 K519 F532 | L511-V515 WeakPolarHBondContact O-CG2 3.31Å; L511-V515 PolarHBondContact O-N 3.24Å; V515-K519 WeakPolarHBondContact O-CG 3.37Å; V515-K519 PolarHBondContact O-N 3.46Å; V515-F532 HydrophobicContact CG1-CE1 4.08Å; V515-F532 HydrophobicContact CG1-CZ 4.41Å; V515-F532 HydrophobicContact CG2-CE1 4.29Å |
| 516 | E | 91.5 | Very high | 91.5 | Very high | 78 Ų | 78 | 50.1 Ų | 50.1 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 175 | 178.1 | 57.3 | -161.6 | 0 | 0 | 112.2 | P512 L514 K519 R520 | P512-E516 WeakPolarHBondContact O-CB 3.4Å; P512-E516 PolarHBondContact O-N 3.33Å; P512-E516 VanDerWaalsContact O-N 3.1Å; L514-E516 VanDerWaalsContact C-N 3.3Å; L514-E516 PolarHBondContact O-N 3.03Å; E516-K519 PolarHBondContact O-N 3.14Å; E516-R520 WeakPolarHBondContact O-CG 3.36Å; E516-R520 PolarHBondContact O-N 2.99Å; E516-R520 VanDerWaalsContact O-N 3.07Å; E516-R520 IonicContact OE1-CZ 2.92Å; E516-R520 IonicContact OE1-NE 3.29Å; E516-R520 PolarHBondContact OE1-NE 3.34Å; E516-R520 IonicContact OE1-NH2 2.81Å; E516-R520 PolarHBondContact OE1-NH2 3.16Å; E516-R520 VanDerWaalsContact OE1-NH2 3.07Å |
| 517 | G | 93.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.7 | -40.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K513 L514 K519 R520 L521 L555 | K513-G517 PolarHBondContact O-N 3.02Å; L514-G517 CarbonylContact O-C 3.5Å; L514-G517 PolarHBondContact O-N 3.08Å; L514-G517 VanDerWaalsContact O-N 3.12Å; G517-K519 PolarHBondContact O-N 3.33Å; G517-R520 WeakPolarHBondContact O-CB 3.42Å; G517-R520 PolarHBondContact O-N 2.63Å; G517-R520 VanDerWaalsContact O-N 3.16Å; G517-L521 WeakPolarHBondContact O-CB 3.44Å; G517-L521 PolarHBondContact O-N 2.77Å; G517-L555 WeakPolarHBondContact O-CD1 3.23Å |
| 518 | L | 94.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.7 | -40.6 | 175.8 | -75.1 | 168 | 0 | 0 | 0 | 111.8 | V503 L514 R520 L521 A522 C530 F532 H538 V540 L555 | V503-L518 HydrophobicContact CG2-CD1 4.46Å; V503-L518 HydrophobicContact CG2-CD2 4.12Å; L514-L518 HydrophobicContact CD1-CD1 4.14Å; L514-L518 HydrophobicContact CD1-CG 4.08Å; L514-L518 HydrophobicContact CG-CD1 3.95Å; L514-L518 HydrophobicContact CG-CG 4.36Å; L514-L518 WeakPolarHBondContact O-CG 3.34Å; L514-L518 PolarHBondContact O-N 2.97Å; L518-R520 VanDerWaalsContact C-N 3.29Å; L518-R520 PolarHBondContact O-N 3.07Å; L518-L521 PolarHBondContact O-N 3.03Å; L518-A522 WeakPolarHBondContact O-CB 3.35Å; L518-A522 PolarHBondContact O-N 3.18Å; L518-C530 HydrophobicContact CB-CB 4.2Å; L518-C530 HydrophobicContact CD2-CB 4.24Å; L518-C530 PolarHBondContact O-SG 3.07Å; L518-F532 HydrophobicContact CB-CZ 4.31Å; L518-F532 HydrophobicContact CD1-CE1 4.15Å; L518-F532 HydrophobicContact CD1-CZ 4.39Å; L518-H538 HydrophobicContact CD1-CB 3.68Å; L518-V540 HydrophobicContact CD2-CG2 3.57Å; L518-L555 HydrophobicContact CD2-CD1 4.19Å; L518-L555 HydrophobicContact CD2-CD2 3.63Å; L518-L555 HydrophobicContact CG-CD1 4.24Å; L518-L555 HydrophobicContact CG-CD2 4.28Å |
| 519 | K | 91.1 | Very high | 90.5 | Very high | 110 Ų | 110 | 40.1 Ų | 40.1 | 48% | 0.478 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.6 | -39.5 | 173.2 | -71.8 | 174.2 | -178.7 | 177.1 | 0 | 111.4 | V515 E516 G517 K523 | V515-K519 WeakPolarHBondContact O-CG 3.37Å; V515-K519 PolarHBondContact O-N 3.46Å; E516-K519 PolarHBondContact O-N 3.14Å; G517-K519 PolarHBondContact O-N 3.33Å; K519-K523 WeakPolarHBondContact O-CG 3.45Å; K519-K523 PolarHBondContact O-N 2.86Å |
| 520 | R | 89.8 | Confident | 90.4 | Very high | 54 Ų | 54 | 37.6 Ų | 37.6 | 20% | 0.204 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.7 | -42.8 | 177 | -69.7 | 171 | -173.2 | -173.5 | -0.6 | 112.4 | F404 E516 G517 L518 A522 K523 S524 H559 | F404-R520 HydrophobicContact CE2-CB 4.31Å; F404-R520 HydrophobicContact CE2-CG 4.15Å; F404-R520 HydrophobicContact CZ-CB 3.99Å; F404-R520 HydrophobicContact CZ-CG 4.32Å; E516-R520 WeakPolarHBondContact O-CG 3.36Å; E516-R520 PolarHBondContact O-N 2.99Å; E516-R520 VanDerWaalsContact O-N 3.07Å; E516-R520 IonicContact OE1-CZ 2.92Å; E516-R520 IonicContact OE1-NE 3.29Å; E516-R520 PolarHBondContact OE1-NE 3.34Å; E516-R520 IonicContact OE1-NH2 2.81Å; E516-R520 PolarHBondContact OE1-NH2 3.16Å; E516-R520 VanDerWaalsContact OE1-NH2 3.07Å; G517-R520 WeakPolarHBondContact O-CB 3.42Å; G517-R520 PolarHBondContact O-N 2.63Å; G517-R520 VanDerWaalsContact O-N 3.16Å; L518-R520 VanDerWaalsContact C-N 3.29Å; L518-R520 PolarHBondContact O-N 3.07Å; R520-A522 VanDerWaalsContact C-N 3.33Å; R520-A522 PolarHBondContact O-N 2.77Å; R520-K523 WeakPolarHBondContact O-CB 3.49Å; R520-K523 PolarHBondContact O-N 3.1Å; R520-K523 VanDerWaalsContact O-N 3.08Å; R520-S524 WeakPolarHBondContact O-CB 3.4Å; R520-S524 PolarHBondContact O-N 3.43Å; R520-H559 HydrophobicContact CB-CB 4.01Å; R520-H559 PolarHBondContact NH1-O 3.08Å |
| 521 | L | 91.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.9 | -47.1 | 174.5 | 180 | 64.3 | 0 | 0 | 0 | 110.8 | G517 L518 K523 S524 D525 V528 V540 C551 D554 L555 | G517-L521 WeakPolarHBondContact O-CB 3.44Å; G517-L521 PolarHBondContact O-N 2.77Å; L518-L521 PolarHBondContact O-N 3.03Å; L521-K523 PolarHBondContact O-N 3.49Å; L521-S524 PolarHBondContact O-N 3.38Å; L521-S524 VanDerWaalsContact O-N 3.13Å; L521-D525 PolarHBondContact O-N 3.49Å; L521-V528 HydrophobicContact CD2-CG2 4.25Å; L521-V528 HydrophobicContact CG-CG1 4.11Å; L521-V528 HydrophobicContact CG-CG2 4.35Å; L521-V528 WeakPolarHBondContact O-CG1 3.48Å; L521-V540 HydrophobicContact CD2-CG1 3.9Å; L521-V540 HydrophobicContact CD2-CG2 4.28Å; L521-C551 HydrophobicContact CD1-CB 3.97Å; L521-C551 HydrophobicContact CD2-CB 4.16Å; L521-D554 HydrophobicContact CD1-CB 4.35Å; L521-L555 HydrophobicContact CB-CD1 4.43Å; L521-L555 HydrophobicContact CD2-CB 4.29Å; L521-L555 HydrophobicContact CD2-CD1 4.48Å; L521-L555 HydrophobicContact CD2-CD2 4.45Å |
| 522 | A | 89.7 | Confident | 89.6 | Confident | 17 Ų | 17 | 40.5 Ų | 40.5 | 14% | 0.14 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.6 | -23.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | K475 L518 R520 C530 | K475-A522 WeakPolarHBondContact CE-O 3.12Å; K475-A522 WeakPolarHBondContact CG-O 3.15Å; L518-A522 WeakPolarHBondContact O-CB 3.35Å; L518-A522 PolarHBondContact O-N 3.18Å; R520-A522 VanDerWaalsContact C-N 3.33Å; R520-A522 PolarHBondContact O-N 2.77Å; A522-C530 HydrophobicContact CB-CB 4.25Å |
| 523 | K | 88.1 | Confident | 88.9 | Confident | 50 Ų | 50 | 38.2 Ų | 38.2 | 22% | 0.217 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -81.4 | -41.9 | 171.9 | -69.2 | -177.2 | -179.3 | -167.4 | 0 | 112.1 | M395 F404 D470 V474 K519 R520 L521 | M395-K523 WeakPolarHBondContact CB-O 3.29Å; M395-K523 HydrophobicContact CG-CB 4.47Å; F404-K523 HydrophobicContact CD2-CD 4.4Å; F404-K523 HydrophobicContact CE1-CB 4.41Å; F404-K523 HydrophobicContact CE2-CB 4.45Å; F404-K523 HydrophobicContact CE2-CD 4.29Å; F404-K523 HydrophobicContact CZ-CB 4.26Å; D470-K523 PolarHBondContact O-NZ 3.48Å; V474-K523 HydrophobicContact CG1-CG 3.83Å; V474-K523 WeakPolarHBondContact O-CA 3.45Å; V474-K523 WeakPolarHBondContact O-CB 3.43Å; V474-K523 WeakPolarHBondContact O-CG 3.35Å; K519-K523 WeakPolarHBondContact O-CG 3.45Å; K519-K523 PolarHBondContact O-N 2.86Å; R520-K523 WeakPolarHBondContact O-CB 3.49Å; R520-K523 PolarHBondContact O-N 3.1Å; R520-K523 VanDerWaalsContact O-N 3.08Å; L521-K523 PolarHBondContact O-N 3.49Å |
| 524 | S | 85.8 | Confident | 87.6 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 4% | 0.035 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.3 | -34.5 | -175.2 | -171 | 0 | 0 | 0 | 0 | 113.3 | K71 R520 L521 | K71-S524 PolarHBondContact NZ-O 2.91Å; R520-S524 WeakPolarHBondContact O-CB 3.4Å; R520-S524 PolarHBondContact O-N 3.43Å; L521-S524 PolarHBondContact O-N 3.38Å; L521-S524 VanDerWaalsContact O-N 3.13Å |
| 525 | D | 86.1 | Confident | 86.3 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.027 | 22% | 0.222 | C | C | . | . | trans | -113 | 120.2 | -179.1 | -162.2 | -73.6 | 0 | 0 | 0 | 112.3 | K71 K475 L521 M527 V528 H547 | K71-D525 IonicContact NZ-OD2 3.41Å; K71-D525 PolarHBondContact NZ-OD2 2.92Å; K475-D525 WeakPolarHBondContact CE-O 3.49Å; L521-D525 PolarHBondContact O-N 3.49Å; D525-M527 PolarHBondContact O-N 3.2Å; D525-M527 WeakPolarHBondContact OD1-CA 3.35Å; D525-M527 WeakPolarHBondContact OD1-CB 3.25Å; D525-M527 PolarHBondContact OD1-N 3.32Å; D525-V528 HydrophobicContact CB-CB 3.88Å; D525-V528 HydrophobicContact CB-CG1 3.63Å; D525-V528 PolarHBondContact OD1-N 3.02Å; D525-V528 VanDerWaalsContact OD1-N 3.07Å; D525-H547 IonicContact OD1-CE1 3.82Å; D525-H547 IonicContact OD1-NE2 2.89Å; D525-H547 PolarHBondContact OD1-NE2 3.32Å; D525-H547 IonicContact OD2-NE2 3.98Å | ||
| 526 | P | 80.4 | Confident | 85.4 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.032 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -62.7 | -28 | -179.3 | -22 | 32.2 | 0 | 0 | 0 | 114 | K475 F493 | K475-P526 WeakPolarHBondContact CD-O 3.45Å; K475-P526 WeakPolarHBondContact CE-O 3.22Å; K475-P526 PolarHBondContact NZ-O 3.26Å; F493-P526 HydrophobicContact CE1-CB 3.82Å; F493-P526 HydrophobicContact CZ-CB 3.78Å; F493-P526 WeakPolarHBondContact CZ-O 3.39Å |
| 527 | M | 83 | Confident | 85 | Confident | 7 Ų | 7 | 44.1 Ų | 44.1 | 3% | 0.034 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -95.7 | -34.6 | -174.1 | 175.7 | 72.4 | 72.9 | 0 | 0 | 113 | S125 F493 V495 D525 Q529 A543 | S125-M527 WeakPolarHBondContact OG-CB 3.44Å; F493-M527 HydrophobicContact CB-CE 3.6Å; F493-M527 HydrophobicContact CB-SD 4.34Å; F493-M527 HydrophobicContact CD1-CE 4.33Å; F493-M527 HydrophobicContact CG-CE 4.02Å; V495-M527 HydrophobicContact CB-CE 3.76Å; V495-M527 WeakPolarHBondContact O-CE 3.45Å; D525-M527 PolarHBondContact O-N 3.2Å; D525-M527 WeakPolarHBondContact OD1-CA 3.35Å; D525-M527 WeakPolarHBondContact OD1-CB 3.25Å; D525-M527 PolarHBondContact OD1-N 3.32Å; M527-Q529 PolarHBondContact O-N 2.74Å; M527-A543 HydrophobicContact CG-CB 4.48Å |
| 528 | V | 89.6 | Confident | 84.9 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | trans | -56.6 | 140.1 | -176.4 | 81.4 | 0 | 0 | 0 | 0 | 111.5 | K475 L521 D525 V540 A541 C551 | K475-V528 PolarHBondContact NZ-O 3.25Å; L521-V528 HydrophobicContact CD2-CG2 4.25Å; L521-V528 HydrophobicContact CG-CG1 4.11Å; L521-V528 HydrophobicContact CG-CG2 4.35Å; L521-V528 WeakPolarHBondContact O-CG1 3.48Å; D525-V528 HydrophobicContact CB-CB 3.88Å; D525-V528 HydrophobicContact CB-CG1 3.63Å; D525-V528 PolarHBondContact OD1-N 3.02Å; D525-V528 VanDerWaalsContact OD1-N 3.07Å; V528-V540 HydrophobicContact CG2-CG1 3.7Å; V528-A541 WeakPolarHBondContact CA-O 3.41Å; V528-A541 WeakPolarHBondContact CG2-O 2.95Å; V528-C551 HydrophobicContact CG2-CB 4.37Å | ||
| 529 | Q | 87.8 | Confident | 84.8 | Confident | 84 Ų | 84 | 45.6 Ų | 45.6 | 39% | 0.393 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 125.2 | 169.9 | -62.4 | -179.1 | -3 | 0 | 0 | 109 | P497 M527 A541 | P497-Q529 VanDerWaalsContact CG-CD 3.41Å; P497-Q529 HydrophobicContact CG-CG 3.92Å; M527-Q529 PolarHBondContact O-N 2.74Å; Q529-A541 HydrophobicContact CB-CB 4.22Å; Q529-A541 PolarHBondContact N-O 2.97Å; Q529-A541 PolarHBondContact O-N 2.84Å |
| 530 | C | 91.7 | Very high | 84.9 | Confident | 22 Ų | 22 | 40.4 Ų | 40.4 | 15% | 0.149 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 109 | 172 | -61.5 | 0 | 0 | 0 | 0 | 107.6 | L518 A522 I539 | L518-C530 HydrophobicContact CB-CB 4.2Å; L518-C530 HydrophobicContact CD2-CB 4.24Å; L518-C530 PolarHBondContact O-SG 3.07Å; A522-C530 HydrophobicContact CB-CB 4.25Å; C530-I539 CarbonylContact C-O 3.53Å; C530-I539 WeakPolarHBondContact CA-O 3.2Å |
| 531 | L | 86.3 | Confident | 85 | Confident | 59 Ų | 59 | 37.9 Ų | 37.9 | 31% | 0.309 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 145 | -177 | -53.8 | 172 | 0 | 0 | 0 | 109.9 | I539 | L531-I539 HydrophobicContact CB-CB 4.26Å; L531-I539 PolarHBondContact N-O 2.63Å; L531-I539 PolarHBondContact O-N 3.46Å |
| 532 | F | 85.8 | Confident | 84.9 | Confident | 105 Ų | 105 | 37.8 Ų | 37.8 | 46% | 0.461 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 105.9 | 174.8 | -57.7 | -93.8 | 0 | 0 | 0 | 106.2 | V515 L518 H538 | V515-F532 HydrophobicContact CG1-CE1 4.08Å; V515-F532 HydrophobicContact CG1-CZ 4.41Å; V515-F532 HydrophobicContact CG2-CE1 4.29Å; L518-F532 HydrophobicContact CB-CZ 4.31Å; L518-F532 HydrophobicContact CD1-CE1 4.15Å; L518-F532 HydrophobicContact CD1-CZ 4.39Å; F532-H538 AromaticContact CD1-CE1 3.64Å; F532-H538 AromaticContact CD1-ND1 3.28Å; F532-H538 VanDerWaalsContact CD1-ND1 3.28Å; F532-H538 WeakPolarHBondContact CD1-ND1 3.34Å; F532-H538 AromaticContact CE1-ND1 3.73Å |
| 533 | E | 78.6 | Confident | 84.6 | Confident | 48 Ų | 48 | 37 Ų | 37 | 22% | 0.224 | 20% | 0.198 | C | C | . | . | trans | -84.6 | 154.3 | -178.9 | -65.3 | -164.7 | 174.5 | 0 | 0 | 110.9 | R500 S535 G536 E537 I539 | R500-E533 IonicContact NH1-OE1 2.78Å; E533-S535 WeakPolarHBondContact CB-OG 3.29Å; E533-S535 PolarHBondContact O-N 3.06Å; E533-G536 PolarHBondContact O-N 3.31Å; E533-E537 PolarHBondContact N-O 3.07Å; E533-I539 HydrophobicContact CG-CG1 4.04Å | ||
| 534 | E | 66.6 | Low | 84.4 | Confident | 188 Ų | 188 | 34.8 Ų | 34.8 | 88% | 0.879 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23.4 | 178.9 | -61.6 | -169.4 | 165.5 | 0 | 0 | 112.7 | G536 | E534-G536 PolarHBondContact O-N 3.21Å; E534-G536 VanDerWaalsContact O-N 3.15Å |
| 535 | S | 68.8 | Low | 84.3 | Confident | 67 Ų | 67 | 38.5 Ų | 38.5 | 47% | 0.469 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -17.8 | 170.7 | 59.3 | 0 | 0 | 0 | 0 | 113.3 | E533 E537 | E533-S535 WeakPolarHBondContact CB-OG 3.29Å; E533-S535 PolarHBondContact O-N 3.06Å; S535-E537 PolarHBondContact OG-N 3.08Å |
| 536 | G | 73.9 | Confident | 84.2 | Confident | 53 Ų | 53 | 40.3 Ų | 40.3 | 55% | 0.546 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 91.1 | -3.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E533 E534 | E533-G536 PolarHBondContact O-N 3.31Å; E534-G536 PolarHBondContact O-N 3.21Å; E534-G536 VanDerWaalsContact O-N 3.15Å |
| 537 | E | 83.1 | Confident | 84.5 | Confident | 44 Ų | 44 | 40.1 Ų | 40.1 | 21% | 0.206 | 21% | 0.214 | C | C | . | . | trans | -70.9 | 140.4 | 175.2 | -66.7 | -171.4 | 166.9 | 0 | 0 | 111.5 | E533 S535 I539 | E533-E537 PolarHBondContact N-O 3.07Å; S535-E537 PolarHBondContact OG-N 3.08Å; E537-I539 HydrophobicContact CB-CD1 4.09Å | ||
| 538 | H | 91.5 | Very high | 84.8 | Confident | 25 Ų | 25 | 39.9 Ų | 39.9 | 12% | 0.116 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 118.9 | 170.7 | -59.9 | -48.6 | 0 | 0 | 0 | 109.3 | A502 V503 L511 L518 F532 | A502-H538 CarbonylContact C-O 3.32Å; A502-H538 WeakPolarHBondContact CA-O 3.28Å; V503-H538 HydrophobicContact CG2-CB 3.98Å; V503-H538 WeakPolarHBondContact CG2-O 3.24Å; V503-H538 PolarHBondContact N-O 3.04Å; L511-H538 VanDerWaalsContact CD1-NE2 3.33Å; L511-H538 WeakPolarHBondContact CD1-NE2 3.36Å; L518-H538 HydrophobicContact CD1-CB 3.68Å; F532-H538 AromaticContact CD1-CE1 3.64Å; F532-H538 AromaticContact CD1-ND1 3.28Å; F532-H538 VanDerWaalsContact CD1-ND1 3.28Å; F532-H538 WeakPolarHBondContact CD1-ND1 3.34Å; F532-H538 AromaticContact CE1-ND1 3.73Å |
| 539 | I | 90.9 | Very high | 84.8 | Confident | 8 Ų | 8 | 44.5 Ų | 44.5 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 132.2 | -174.6 | -53.7 | -57.7 | 0 | 0 | 0 | 110.2 | R500 V501 A502 C530 L531 E533 E537 | R500-I539 HydrophobicContact CB-CG2 3.73Å; R500-I539 HydrophobicContact CG-CG2 3.92Å; V501-I539 WeakPolarHBondContact O-CA 3.36Å; A502-I539 HydrophobicContact CB-CD1 3.59Å; C530-I539 CarbonylContact C-O 3.53Å; C530-I539 WeakPolarHBondContact CA-O 3.2Å; L531-I539 HydrophobicContact CB-CB 4.26Å; L531-I539 PolarHBondContact N-O 2.63Å; L531-I539 PolarHBondContact O-N 3.46Å; E533-I539 HydrophobicContact CG-CG1 4.04Å; E537-I539 HydrophobicContact CB-CD1 4.09Å |
| 540 | V | 94.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 119.9 | 166.2 | -175.5 | 0 | 0 | 0 | 0 | 107.8 | R500 V501 V503 L518 L521 V528 L548 C551 L552 L555 | R500-V540 CarbonylContact C-O 3.59Å; R500-V540 WeakPolarHBondContact CA-O 3.4Å; V501-V540 PolarHBondContact N-O 3.3Å; V501-V540 PolarHBondContact O-N 3.17Å; V503-V540 HydrophobicContact CG1-CG2 4.11Å; V503-V540 HydrophobicContact CG2-CG2 3.95Å; L518-V540 HydrophobicContact CD2-CG2 3.57Å; L521-V540 HydrophobicContact CD2-CG1 3.9Å; L521-V540 HydrophobicContact CD2-CG2 4.28Å; V528-V540 HydrophobicContact CG2-CG1 3.7Å; V540-L548 HydrophobicContact CB-CD2 4.34Å; V540-L548 HydrophobicContact CG1-CD2 3.79Å; V540-L548 WeakPolarHBondContact O-CD2 3.47Å; V540-C551 HydrophobicContact CG1-CB 4.26Å; V540-L552 HydrophobicContact CB-CD2 4.25Å; V540-L552 HydrophobicContact CG2-CD2 4.16Å; V540-L555 HydrophobicContact CG2-CD2 4.15Å |
| 541 | A | 91.4 | Very high | 85 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 136.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | P497 V499 R500 V528 Q529 | P497-A541 HydrophobicContact CB-CB 4.09Å; V499-A541 CarbonylContact O-C 3.48Å; V499-A541 WeakPolarHBondContact O-CA 3.43Å; R500-A541 HydrophobicContact CG-CB 3.85Å; V528-A541 WeakPolarHBondContact CA-O 3.41Å; V528-A541 WeakPolarHBondContact CG2-O 2.95Å; Q529-A541 HydrophobicContact CB-CB 4.22Å; Q529-A541 PolarHBondContact N-O 2.97Å; Q529-A541 PolarHBondContact O-N 2.84Å |
| 542 | G | 89.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 171.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P497 V498 V499 G544 | P497-G542 CarbonylContact C-O 3.59Å; P497-G542 WeakPolarHBondContact CA-O 3.3Å; V498-G542 PolarHBondContact N-O 2.96Å; V498-G542 VanDerWaalsContact N-O 3.08Å; V499-G542 PolarHBondContact N-O 3.22Å; V499-G542 VanDerWaalsContact N-O 3.14Å; V499-G542 PolarHBondContact O-N 3Å; G542-G544 VanDerWaalsContact C-N 3.31Å; G542-G544 PolarHBondContact O-N 3.46Å |
| 543 | A | 83.7 | Confident | 85.6 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -68.1 | -30.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V495 M527 H547 Y739 | V495-A543 HydrophobicContact CG1-CB 3.73Å; M527-A543 HydrophobicContact CG-CB 4.48Å; A543-H547 HydrophobicContact CB-CB 4.43Å; A543-H547 WeakPolarHBondContact CB-ND1 3.34Å; A543-H547 PolarHBondContact N-ND1 3.25Å; A543-Y739 PolarHBondContact O-OH 3.38Å |
| 544 | G | 83 | Confident | 86.2 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -165.6 | 179.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G542 H547 L548 | G542-G544 VanDerWaalsContact C-N 3.31Å; G542-G544 PolarHBondContact O-N 3.46Å; G544-H547 PolarHBondContact O-N 2.83Å; G544-L548 PolarHBondContact O-N 3.18Å; G544-L548 VanDerWaalsContact O-N 3.1Å |
| 545 | E | 83.5 | Confident | 87.5 | Confident | 84 Ų | 84 | 23.9 Ų | 23.9 | 39% | 0.393 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -61.4 | -44.7 | 180 | -174 | 178.4 | 179 | 0 | 0 | 111.5 | L548 E549 F788 G789 | E545-L548 PolarHBondContact O-N 2.87Å; E545-E549 WeakPolarHBondContact O-CB 3.37Å; E545-E549 PolarHBondContact O-N 3.1Å; E545-F788 HydrophobicContact CB-CD1 4.47Å; E545-F788 WeakPolarHBondContact OE2-CA 3.29Å; E545-G789 PolarHBondContact OE2-N 3.5Å |
| 546 | L | 84 | Confident | 88.7 | Confident | 42 Ų | 42 | 23 Ų | 23 | 22% | 0.22 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.2 | -45.4 | -179.8 | -172.8 | 78.8 | 0 | 0 | 0 | 111.6 | I68 D122 F123 L548 E549 I550 | I68-L546 HydrophobicContact CD1-CD2 4.02Å; D122-L546 WeakPolarHBondContact OD2-CB 3.47Å; F123-L546 HydrophobicContact CE2-CD2 4.2Å; L546-L548 PolarHBondContact O-N 2.94Å; L546-E549 PolarHBondContact O-N 3.21Å; L546-I550 HydrophobicContact CG-CD1 4.33Å; L546-I550 PolarHBondContact O-N 3Å |
| 547 | H | 87.8 | Confident | 89.5 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -54.8 | -52.1 | 174.1 | -170.3 | 177.7 | 0 | 0 | 0 | 111.2 | D122 F123 D525 A543 G544 E549 I550 C551 | D122-H547 HydrophobicContact CB-CB 3.94Å; D122-H547 PolarHBondContact OD2-N 3.14Å; F123-H547 HydrophobicContact CE1-CB 4.49Å; F123-H547 AromaticContact CE1-CD2 3.91Å; D525-H547 IonicContact OD1-CE1 3.82Å; D525-H547 IonicContact OD1-NE2 2.89Å; D525-H547 PolarHBondContact OD1-NE2 3.32Å; D525-H547 IonicContact OD2-NE2 3.98Å; A543-H547 HydrophobicContact CB-CB 4.43Å; A543-H547 WeakPolarHBondContact CB-ND1 3.34Å; A543-H547 PolarHBondContact N-ND1 3.25Å; G544-H547 PolarHBondContact O-N 2.83Å; H547-E549 VanDerWaalsContact C-N 3.35Å; H547-E549 PolarHBondContact O-N 2.87Å; H547-I550 PolarHBondContact O-N 3.37Å; H547-C551 PolarHBondContact CD2-SG 3.37Å; H547-C551 PolarHBondContact NE2-SG 2.79Å; H547-C551 PolarHBondContact O-N 2.99Å; H547-C551 PolarHBondContact O-SG 3.24Å |
| 548 | L | 90.1 | Very high | 89.6 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63 | -41.3 | -178.8 | -80.9 | 178.7 | 0 | 0 | 0 | 112.4 | V499 V501 V540 G544 E545 L546 I550 C551 L552 | V499-L548 HydrophobicContact CB-CD1 3.57Å; V499-L548 HydrophobicContact CG1-CD1 3.31Å; V501-L548 HydrophobicContact CG2-CD1 3.95Å; V540-L548 HydrophobicContact CB-CD2 4.34Å; V540-L548 HydrophobicContact CG1-CD2 3.79Å; V540-L548 WeakPolarHBondContact O-CD2 3.47Å; G544-L548 PolarHBondContact O-N 3.18Å; G544-L548 VanDerWaalsContact O-N 3.1Å; E545-L548 PolarHBondContact O-N 2.87Å; L546-L548 PolarHBondContact O-N 2.94Å; L548-I550 VanDerWaalsContact C-N 3.25Å; L548-I550 PolarHBondContact O-N 3.33Å; L548-C551 PolarHBondContact O-N 2.75Å; L548-L552 HydrophobicContact CB-CD1 4.44Å; L548-L552 VanDerWaalsContact O-CB 3.26Å; L548-L552 WeakPolarHBondContact O-CB 3.11Å; L548-L552 WeakPolarHBondContact O-CD1 3.23Å; L548-L552 WeakPolarHBondContact O-CG 3.47Å; L548-L552 PolarHBondContact O-N 2.7Å |
| 549 | E | 89.7 | Confident | 89.6 | Confident | 98 Ų | 98 | 27.5 Ų | 27.5 | 46% | 0.458 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -54.8 | -45.3 | 177.3 | -168.6 | -166.3 | 174 | 0 | 0 | 111.3 | R66 E545 L546 H547 K553 | R66-E549 IonicContact CZ-OE1 3.63Å; R66-E549 IonicContact CZ-OE2 2.68Å; R66-E549 VanDerWaalsContact CZ-OE2 3.29Å; R66-E549 IonicContact NH1-OE1 2.71Å; R66-E549 IonicContact NH1-OE2 2.72Å; R66-E549 PolarHBondContact NH1-OE2 3.14Å; R66-E549 IonicContact NH2-OE1 2.76Å; R66-E549 PolarHBondContact NH2-OE1 3.38Å; R66-E549 IonicContact NH2-OE2 3.73Å; R66-E549 PolarHBondContact NH2-OE2 3.13Å; E545-E549 WeakPolarHBondContact O-CB 3.37Å; E545-E549 PolarHBondContact O-N 3.1Å; L546-E549 PolarHBondContact O-N 3.21Å; H547-E549 VanDerWaalsContact C-N 3.35Å; H547-E549 PolarHBondContact O-N 2.87Å; E549-K553 WeakPolarHBondContact O-CB 3.41Å; E549-K553 PolarHBondContact O-N 2.9Å |
| 550 | I | 89.3 | Confident | 89.6 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.9 | -47.5 | 177.3 | -74.3 | 159.1 | 0 | 0 | 0 | 111.1 | I70 F123 L546 H547 L548 L552 K553 D554 | I70-I550 HydrophobicContact CD1-CD1 3.4Å; I70-I550 HydrophobicContact CD1-CG1 4.05Å; I70-I550 HydrophobicContact CG1-CD1 3.87Å; I70-I550 HydrophobicContact CG2-CD1 4.26Å; I70-I550 HydrophobicContact CG2-CG2 3.8Å; F123-I550 HydrophobicContact CE1-CD1 4.3Å; F123-I550 HydrophobicContact CE2-CD1 4Å; F123-I550 HydrophobicContact CZ-CD1 3.38Å; L546-I550 HydrophobicContact CG-CD1 4.33Å; L546-I550 PolarHBondContact O-N 3Å; H547-I550 PolarHBondContact O-N 3.37Å; L548-I550 VanDerWaalsContact C-N 3.25Å; L548-I550 PolarHBondContact O-N 3.33Å; I550-L552 VanDerWaalsContact C-N 3.29Å; I550-L552 PolarHBondContact O-N 2.89Å; I550-K553 WeakPolarHBondContact O-CB 3.2Å; I550-K553 PolarHBondContact O-N 3.24Å; I550-D554 PolarHBondContact O-N 3.18Å |
| 551 | C | 92.7 | Very high | 89.5 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.014 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.8 | -40.2 | 177.1 | -75.4 | 0 | 0 | 0 | 0 | 112.9 | L521 V528 V540 H547 L548 D554 L555 | L521-C551 HydrophobicContact CD1-CB 3.97Å; L521-C551 HydrophobicContact CD2-CB 4.16Å; V528-C551 HydrophobicContact CG2-CB 4.37Å; V540-C551 HydrophobicContact CG1-CB 4.26Å; H547-C551 PolarHBondContact CD2-SG 3.37Å; H547-C551 PolarHBondContact NE2-SG 2.79Å; H547-C551 PolarHBondContact O-N 2.99Å; H547-C551 PolarHBondContact O-SG 3.24Å; L548-C551 PolarHBondContact O-N 2.75Å; C551-D554 PolarHBondContact O-N 3.01Å; C551-L555 WeakPolarHBondContact O-CB 3.39Å; C551-L555 PolarHBondContact O-N 2.82Å |
| 552 | L | 94.1 | Very high | 89.6 | Confident | 12 Ų | 12 | 30.6 Ų | 30.6 | 6% | 0.063 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -71.5 | -34.1 | 179.4 | -68.5 | 168.2 | 0 | 0 | 0 | 111.6 | V501 V503 V540 L548 I550 E556 K566 | V501-L552 HydrophobicContact CB-CD1 4.09Å; V501-L552 HydrophobicContact CG1-CD1 3.84Å; V501-L552 HydrophobicContact CG1-CD2 4.13Å; V501-L552 HydrophobicContact CG2-CD1 4.11Å; V503-L552 HydrophobicContact CG1-CD2 3.32Å; V540-L552 HydrophobicContact CB-CD2 4.25Å; V540-L552 HydrophobicContact CG2-CD2 4.16Å; L548-L552 HydrophobicContact CB-CD1 4.44Å; L548-L552 VanDerWaalsContact O-CB 3.26Å; L548-L552 WeakPolarHBondContact O-CB 3.11Å; L548-L552 WeakPolarHBondContact O-CD1 3.23Å; L548-L552 WeakPolarHBondContact O-CG 3.47Å; L548-L552 PolarHBondContact O-N 2.7Å; I550-L552 VanDerWaalsContact C-N 3.29Å; I550-L552 PolarHBondContact O-N 2.89Å; L552-E556 WeakPolarHBondContact O-CB 3.36Å; L552-E556 PolarHBondContact O-N 2.78Å; L552-E556 VanDerWaalsContact O-N 3.1Å; L552-K566 HydrophobicContact CB-CD 4.25Å; L552-K566 HydrophobicContact CD1-CD 4.26Å |
| 553 | K | 91.9 | Very high | 89.8 | Confident | 51 Ų | 51 | 33.5 Ų | 33.5 | 22% | 0.222 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.9 | -47.9 | 171.6 | -173.7 | -178.9 | 177.3 | -176.4 | 0 | 110.9 | E549 I550 L555 E556 E557 | E549-K553 WeakPolarHBondContact O-CB 3.41Å; E549-K553 PolarHBondContact O-N 2.9Å; I550-K553 WeakPolarHBondContact O-CB 3.2Å; I550-K553 PolarHBondContact O-N 3.24Å; K553-L555 VanDerWaalsContact C-N 3.26Å; K553-L555 PolarHBondContact O-N 3.32Å; K553-E556 PolarHBondContact O-N 3.45Å; K553-E556 VanDerWaalsContact O-N 3.12Å; K553-E557 VanDerWaalsContact CE-CD 3.46Å; K553-E557 VanDerWaalsContact CE-OE1 3.28Å; K553-E557 WeakPolarHBondContact CE-OE1 3.42Å; K553-E557 WeakPolarHBondContact CE-OE2 3.3Å; K553-E557 HydrophobicContact CG-CG 4.26Å; K553-E557 WeakPolarHBondContact O-CB 3.49Å; K553-E557 PolarHBondContact O-N 2.93Å |
| 554 | D | 90.8 | Very high | 90.3 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.6 | -38.1 | 176.9 | -72.3 | 11 | 0 | 0 | 0 | 111.5 | R60 L521 I550 C551 D558 H559 | R60-D554 IonicContact CZ-OD1 2.68Å; R60-D554 IonicContact CZ-OD2 2.84Å; R60-D554 IonicContact NH1-OD1 3.77Å; R60-D554 PolarHBondContact NH1-OD1 2.79Å; R60-D554 IonicContact NH1-OD2 2.74Å; R60-D554 PolarHBondContact NH1-OD2 2.85Å; R60-D554 IonicContact NH2-OD1 2.81Å; R60-D554 PolarHBondContact NH2-OD1 3.1Å; R60-D554 IonicContact NH2-OD2 3.05Å; R60-D554 PolarHBondContact NH2-OD2 3.32Å; L521-D554 HydrophobicContact CD1-CB 4.35Å; I550-D554 PolarHBondContact O-N 3.18Å; C551-D554 PolarHBondContact O-N 3.01Å; D554-D558 CarbonylContact O-C 3.59Å; D554-D558 WeakPolarHBondContact O-CA 3.35Å; D554-D558 WeakPolarHBondContact O-CB 3.28Å; D554-D558 PolarHBondContact O-N 3.02Å; D554-H559 PolarHBondContact O-N 2.76Å |
| 555 | L | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -61.5 | -48.1 | 174.7 | -171.7 | 59.3 | 0 | 0 | 0 | 111.7 | V503 L514 G517 L518 L521 V540 C551 K553 H559 A560 L564 | V503-L555 HydrophobicContact CG2-CD2 4.14Å; L514-L555 HydrophobicContact CD1-CD1 4.43Å; L514-L555 HydrophobicContact CD1-CD2 3.94Å; L514-L555 HydrophobicContact CD1-CG 4.32Å; G517-L555 WeakPolarHBondContact O-CD1 3.23Å; L518-L555 HydrophobicContact CD2-CD1 4.19Å; L518-L555 HydrophobicContact CD2-CD2 3.63Å; L518-L555 HydrophobicContact CG-CD1 4.24Å; L518-L555 HydrophobicContact CG-CD2 4.28Å; L521-L555 HydrophobicContact CB-CD1 4.43Å; L521-L555 HydrophobicContact CD2-CB 4.29Å; L521-L555 HydrophobicContact CD2-CD1 4.48Å; L521-L555 HydrophobicContact CD2-CD2 4.45Å; V540-L555 HydrophobicContact CG2-CD2 4.15Å; C551-L555 WeakPolarHBondContact O-CB 3.39Å; C551-L555 PolarHBondContact O-N 2.82Å; K553-L555 VanDerWaalsContact C-N 3.26Å; K553-L555 PolarHBondContact O-N 3.32Å; L555-H559 HydrophobicContact CD1-CB 4.4Å; L555-A560 HydrophobicContact CD1-CB 4.01Å; L555-A560 HydrophobicContact CG-CB 4.38Å; L555-A560 WeakPolarHBondContact O-CA 3.42Å; L555-A560 WeakPolarHBondContact O-CB 3.49Å; L555-A560 PolarHBondContact O-N 3.41Å; L555-L564 HydrophobicContact CB-CD1 4.11Å; L555-L564 HydrophobicContact CD2-CD1 3.77Å; L555-L564 HydrophobicContact CG-CD1 3.83Å |
| 556 | E | 93.7 | Very high | 91.3 | Very high | 49 Ų | 49 | 39.2 Ų | 39.2 | 23% | 0.229 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -71.9 | -41.3 | -177 | -178.5 | 155.9 | -144.4 | 0 | 0 | 112.9 | L552 K553 C561 I562 P563 L564 K566 | L552-E556 WeakPolarHBondContact O-CB 3.36Å; L552-E556 PolarHBondContact O-N 2.78Å; L552-E556 VanDerWaalsContact O-N 3.1Å; K553-E556 PolarHBondContact O-N 3.45Å; K553-E556 VanDerWaalsContact O-N 3.12Å; E556-C561 CarbonylContact O-C 3.47Å; E556-C561 WeakPolarHBondContact O-CA 3.49Å; E556-C561 PolarHBondContact O-N 2.96Å; E556-I562 WeakPolarHBondContact CG-O 3.46Å; E556-I562 PolarHBondContact O-N 3.02Å; E556-P563 VanDerWaalsContact OE1-CA 3.31Å; E556-P563 WeakPolarHBondContact OE1-CA 3.32Å; E556-L564 HydrophobicContact CB-CD1 3.91Å; E556-L564 HydrophobicContact CB-CG 4.12Å; E556-L564 HydrophobicContact CG-CG 4.42Å; E556-L564 PolarHBondContact OE1-N 3.31Å; E556-K566 WeakPolarHBondContact OE2-CE 3.2Å; E556-K566 IonicContact OE2-NZ 2.98Å; E556-K566 PolarHBondContact OE2-NZ 3.4Å |
| 557 | E | 90.4 | Very high | 91.6 | Very high | 110 Ų | 110 | 39.5 Ų | 39.5 | 51% | 0.514 | 20% | 0.203 | S | C | . | . | I | π-helix | trans | -93.5 | -44.7 | -172.4 | -64.4 | -177.6 | -173.3 | 0 | 0 | 112.8 | K553 C561 | K553-E557 VanDerWaalsContact CE-CD 3.46Å; K553-E557 VanDerWaalsContact CE-OE1 3.28Å; K553-E557 WeakPolarHBondContact CE-OE1 3.42Å; K553-E557 WeakPolarHBondContact CE-OE2 3.3Å; K553-E557 HydrophobicContact CG-CG 4.26Å; K553-E557 WeakPolarHBondContact O-CB 3.49Å; K553-E557 PolarHBondContact O-N 2.93Å; E557-C561 PolarHBondContact O-SG 3.18Å |
| 558 | D | 86.5 | Confident | 91.5 | Very high | 94 Ų | 94 | 46 Ų | 46 | 50% | 0.503 | 24% | 0.237 | S | C | . | . | I | π-helix | trans | -108.8 | -36.2 | -166.3 | -66.7 | -38.2 | 0 | 0 | 0 | 114.5 | D554 | D554-D558 CarbonylContact O-C 3.59Å; D554-D558 WeakPolarHBondContact O-CA 3.35Å; D554-D558 WeakPolarHBondContact O-CB 3.28Å; D554-D558 PolarHBondContact O-N 3.02Å |
| 559 | H | 90.1 | Very high | 91.4 | Very high | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.056 | 25% | 0.25 | C | C | . | . | I | π-helix | trans | -98.6 | -56.4 | -169.8 | -61.8 | -31 | 0 | 0 | 0 | 113.5 | R520 D554 L555 | R520-H559 HydrophobicContact CB-CB 4.01Å; R520-H559 PolarHBondContact NH1-O 3.08Å; D554-H559 PolarHBondContact O-N 2.76Å; L555-H559 HydrophobicContact CD1-CB 4.4Å |
| 560 | A | 90.9 | Very high | 91.3 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -88.8 | -30.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L555 I562 | L555-A560 HydrophobicContact CD1-CB 4.01Å; L555-A560 HydrophobicContact CG-CB 4.38Å; L555-A560 WeakPolarHBondContact O-CA 3.42Å; L555-A560 WeakPolarHBondContact O-CB 3.49Å; L555-A560 PolarHBondContact O-N 3.41Å; A560-I562 VanDerWaalsContact C-N 3.27Å; A560-I562 HydrophobicContact CB-CD1 4.23Å; A560-I562 HydrophobicContact CB-CG1 3.75Å; A560-I562 PolarHBondContact O-N 2.75Å |
| 561 | C | 91.6 | Very high | 91.2 | Very high | 62 Ų | 62 | 44.9 Ų | 44.9 | 42% | 0.419 | 24% | 0.238 | S | C | . | . | trans | 53.8 | 40.9 | -178.1 | -56.7 | 0 | 0 | 0 | 0 | 112.9 | E556 E557 | E556-C561 CarbonylContact O-C 3.47Å; E556-C561 WeakPolarHBondContact O-CA 3.49Å; E556-C561 PolarHBondContact O-N 2.96Å; E557-C561 PolarHBondContact O-SG 3.18Å | ||
| 562 | I | 94 | Very high | 90.8 | Very high | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -138.6 | 148.1 | -179 | 59.6 | 172.7 | 0 | 0 | 0 | 109.7 | P505 D510 K513 L514 E556 A560 L564 | P505-I562 HydrophobicContact CB-CD1 3.82Å; D510-I562 HydrophobicContact CB-CB 4.4Å; D510-I562 HydrophobicContact CB-CD1 3.82Å; D510-I562 HydrophobicContact CB-CG2 3.96Å; K513-I562 HydrophobicContact CB-CD1 4.29Å; K513-I562 HydrophobicContact CB-CG2 4.15Å; K513-I562 HydrophobicContact CD-CG2 3.63Å; L514-I562 HydrophobicContact CB-CD1 3.92Å; E556-I562 WeakPolarHBondContact CG-O 3.46Å; E556-I562 PolarHBondContact O-N 3.02Å; A560-I562 VanDerWaalsContact C-N 3.27Å; A560-I562 HydrophobicContact CB-CD1 4.23Å; A560-I562 HydrophobicContact CB-CG1 3.75Å; A560-I562 PolarHBondContact O-N 2.75Å; I562-L564 HydrophobicContact CD1-CD2 4.24Å; I562-L564 HydrophobicContact CG1-CD2 4.01Å; I562-L564 PolarHBondContact O-N 3.04Å |
| 563 | P | 94.9 | Very high | 90.7 | Very high | 61 Ų | 61 | 44.6 Ų | 44.6 | 40% | 0.396 | 24% | 0.236 | S | C | . | . | trans | -68.9 | 134.4 | 176.7 | 29.5 | -35.3 | 0 | 0 | 0 | 111.1 | K506 E556 | K506-P563 HydrophobicContact CB-CB 4.43Å; K506-P563 HydrophobicContact CB-CG 4.22Å; K506-P563 HydrophobicContact CD-CB 3.87Å; K506-P563 HydrophobicContact CD-CG 4.4Å; K506-P563 HydrophobicContact CG-CB 4.18Å; K506-P563 PolarHBondContact N-O 3.04Å; E556-P563 VanDerWaalsContact OE1-CA 3.31Å; E556-P563 WeakPolarHBondContact OE1-CA 3.32Å | ||
| 564 | L | 94.4 | Very high | 90.9 | Very high | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 148.1 | -175.5 | -58.6 | 178.2 | 0 | 0 | 0 | 112.2 | E504 K506 L514 L555 E556 I562 K566 | E504-L564 CarbonylContact O-C 3.58Å; E504-L564 WeakPolarHBondContact O-CA 3.27Å; K506-L564 WeakPolarHBondContact CE-O 3.24Å; L514-L564 HydrophobicContact CD1-CD2 3.76Å; L555-L564 HydrophobicContact CB-CD1 4.11Å; L555-L564 HydrophobicContact CD2-CD1 3.77Å; L555-L564 HydrophobicContact CG-CD1 3.83Å; E556-L564 HydrophobicContact CB-CD1 3.91Å; E556-L564 HydrophobicContact CB-CG 4.12Å; E556-L564 HydrophobicContact CG-CG 4.42Å; E556-L564 PolarHBondContact OE1-N 3.31Å; I562-L564 HydrophobicContact CD1-CD2 4.24Å; I562-L564 HydrophobicContact CG1-CD2 4.01Å; I562-L564 PolarHBondContact O-N 3.04Å; L564-K566 HydrophobicContact CB-CG 4.19Å |
| 565 | K | 93.4 | Very high | 91.2 | Very high | 110 Ų | 110 | 43.9 Ų | 43.9 | 48% | 0.478 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 130.7 | 154 | -58.2 | 178.3 | -176.4 | 167.8 | 0 | 106.7 | V503 E504 K506 | V503-K565 WeakPolarHBondContact CA-O 3.49Å; E504-K565 HydrophobicContact CB-CB 4.28Å; E504-K565 PolarHBondContact N-O 3.18Å; E504-K565 PolarHBondContact O-N 2.87Å; K506-K565 HydrophobicContact CG-CG 3.84Å |
| 566 | K | 93.2 | Very high | 91.4 | Very high | 90 Ų | 90 | 44.5 Ų | 44.5 | 39% | 0.391 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 130.6 | -177.8 | -56.1 | 171 | -169.3 | 177.3 | 0 | 106.4 | V501 A502 L552 E556 L564 | V501-K566 HydrophobicContact CG1-CB 4.13Å; A502-K566 WeakPolarHBondContact O-CA 3.31Å; L552-K566 HydrophobicContact CB-CD 4.25Å; L552-K566 HydrophobicContact CD1-CD 4.26Å; E556-K566 WeakPolarHBondContact OE2-CE 3.2Å; E556-K566 IonicContact OE2-NZ 2.98Å; E556-K566 PolarHBondContact OE2-NZ 3.4Å; L564-K566 HydrophobicContact CB-CG 4.19Å |
| 567 | S | 89.9 | Confident | 91.6 | Very high | 47 Ų | 47 | 42.3 Ų | 42.3 | 33% | 0.329 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -69.5 | 168.1 | 168.6 | 74.1 | 0 | 0 | 0 | 0 | 110.3 | A502 | A502-S567 PolarHBondContact N-OG 3.38Å; A502-S567 PolarHBondContact O-N 3.33Å |
| 568 | D | 86.9 | Confident | 91.9 | Very high | 138 Ų | 138 | 39 Ų | 39 | 74% | 0.738 | 21% | 0.214 | S | C | * | . | P | Polyproline II helix | trans | -60.4 | 147.6 | 162.6 | -66.1 | -37.2 | 0 | 0 | 0 | 109.9 | V570 | D568-V570 PolarHBondContact O-N 2.81Š|
| 569 | P | 88 | Confident | 92.4 | Very high | 42 Ų | 42 | 40.1 Ų | 40.1 | 27% | 0.273 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -65.6 | 134 | 175.1 | 28.2 | -34.1 | 0 | 0 | 0 | 110.2 | V499 R500 V501 F788 | V499-P569 HydrophobicContact CG1-CB 3.76Å; R500-P569 CarbonylContact O-C 3.38Å; R500-P569 WeakPolarHBondContact O-CA 3.1Å; V501-P569 HydrophobicContact CG2-CB 3.87Å; P569-F788 HydrophobicContact CB-CD1 4.25Å; P569-F788 HydrophobicContact CB-CE1 3.67Å; P569-F788 HydrophobicContact CB-CE2 4.49Å; P569-F788 HydrophobicContact CB-CZ 3.8Å; P569-F788 HydrophobicContact CG-CD1 3.9Å; P569-F788 HydrophobicContact CG-CE1 3.83Å; P569-F788 HydrophobicContact CG-CE2 4.43Å; P569-F788 HydrophobicContact CG-CG 4.27Å; P569-F788 HydrophobicContact CG-CZ 4.11Å; P569-F788 WeakPolarHBondContact O-CE2 3.42Å |
| 570 | V | 86.4 | Confident | 92.8 | Very high | 36 Ų | 36 | 44 Ų | 44 | 22% | 0.218 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 148.5 | 178.4 | -60.2 | 0 | 0 | 0 | 0 | 110.4 | R500 D568 | R500-V570 HydrophobicContact CB-CG2 3.87Å; R500-V570 PolarHBondContact N-O 2.92Å; R500-V570 PolarHBondContact O-N 2.92Å; D568-V570 PolarHBondContact O-N 2.81Å |
| 571 | V | 88.1 | Confident | 93.2 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 140.3 | 178.5 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | Y573 P737 V784 N785 F788 | V571-Y573 HydrophobicContact CB-CE2 4.02Å; V571-Y573 HydrophobicContact CG1-CE2 4.36Å; V571-Y573 WeakPolarHBondContact O-CD2 3.33Å; V571-Y573 PolarHBondContact O-N 3.22Å; V571-P737 VanDerWaalsContact CG1-CD 3.43Å; V571-P737 HydrophobicContact CG1-CG 3.24Å; V571-V784 HydrophobicContact CG1-CB 4.22Å; V571-V784 HydrophobicContact CG1-CG1 4.26Å; V571-V784 HydrophobicContact CG2-CB 4.25Å; V571-V784 HydrophobicContact CG2-CG1 3.83Å; V571-N785 HydrophobicContact CB-CB 4.43Å; V571-N785 VanDerWaalsContact CG2-CA 3.48Å; V571-N785 HydrophobicContact CG2-CB 3.74Å; V571-F788 HydrophobicContact CG2-CE2 3.88Å; V571-F788 HydrophobicContact CG2-CZ 3.79Å |
| 572 | S | 84 | Confident | 93.4 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -80.9 | 113.7 | 171.1 | -48.3 | 0 | 0 | 0 | 0 | 109.3 | V498 R500 W811 | V498-S572 PolarHBondContact O-N 3.49Å; V498-S572 PolarHBondContact O-OG 3.36Å; R500-S572 WeakPolarHBondContact CD-OG 3.1Å; R500-S572 WeakPolarHBondContact CG-OG 3.19Å; R500-S572 PolarHBondContact NE-OG 2.85Å; S572-W811 WeakPolarHBondContact O-CH2 3.31Å; S572-W811 WeakPolarHBondContact O-CZ3 3.1Å | ||
| 573 | Y | 92.8 | Very high | 93.6 | Very high | 9 Ų | 9 | 50.1 Ų | 50.1 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | trans | -86.6 | 171.8 | 173.3 | -67.5 | -95 | 0 | 0 | 0 | 110.1 | V571 L735 E736 L814 V828 | V571-Y573 HydrophobicContact CB-CE2 4.02Å; V571-Y573 HydrophobicContact CG1-CE2 4.36Å; V571-Y573 WeakPolarHBondContact O-CD2 3.33Å; V571-Y573 PolarHBondContact O-N 3.22Å; Y573-L735 WeakPolarHBondContact CA-O 3.3Å; Y573-L735 WeakPolarHBondContact CD1-O 3.35Å; Y573-E736 HydrophobicContact CD1-CB 4.04Å; Y573-E736 HydrophobicContact CE1-CB 3.75Å; Y573-L814 HydrophobicContact CE1-CD2 4.13Å; Y573-V828 HydrophobicContact CD1-CG1 4.2Å; Y573-V828 HydrophobicContact CD2-CG1 3.77Å; Y573-V828 HydrophobicContact CE1-CG1 3.93Å; Y573-V828 HydrophobicContact CE2-CG1 3.47Å; Y573-V828 VanDerWaalsContact CE2-CG1 3.47Å; Y573-V828 HydrophobicContact CG-CG1 4.13Å | ||
| 574 | R | 94.9 | Very high | 93.7 | Very high | 39 Ų | 39 | 51.1 Ų | 51.1 | 15% | 0.147 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 152.3 | 164.6 | -59.5 | -70.8 | 178.3 | -96.4 | -0.4 | 109.8 | N690 R692 L734 L735 W811 | R574-N690 CarbonylContact C-O 3.37Å; R574-N690 WeakPolarHBondContact CA-O 3.25Å; R574-N690 WeakPolarHBondContact CB-O 3.32Å; R574-N690 WeakPolarHBondContact CD-O 3.4Å; R574-R692 HydrophobicContact CB-CB 3.94Å; R574-R692 HydrophobicContact CG-CB 4.14Å; R574-L734 CarbonylContact O-C 3.49Å; R574-L734 WeakPolarHBondContact O-CA 3.42Å; R574-L735 HydrophobicContact CB-CB 4.1Å; R574-L735 HydrophobicContact CB-CD1 4.17Å; R574-L735 PolarHBondContact N-O 3.38Å; R574-L735 PolarHBondContact O-N 3.25Å; R574-W811 HydrophobicContact CB-CE3 4.39Å; R574-W811 HydrophobicContact CB-CZ3 4.37Å; R574-W811 HydrophobicContact CG-CD2 4.08Å; R574-W811 HydrophobicContact CG-CE3 3.84Å; R574-W811 HydrophobicContact CG-CH2 3.64Å; R574-W811 HydrophobicContact CG-CZ2 3.87Å; R574-W811 HydrophobicContact CG-CZ3 3.6Å |
| 575 | E | 97.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 142.2 | 171.3 | -64.4 | -175.9 | -147.1 | 0 | 0 | 110 | G684 V685 L686 C687 E688 E689 N690 M691 R692 L734 | E575-G684 VanDerWaalsContact OE1-C 3.25Å; E575-G684 VanDerWaalsContact OE1-CA 3.32Å; E575-G684 WeakPolarHBondContact OE1-CA 3.48Å; E575-G684 VanDerWaalsContact OE2-CA 3.25Å; E575-G684 WeakPolarHBondContact OE2-CA 3.31Å; E575-V685 PolarHBondContact OE2-N 2.95Å; E575-L686 VanDerWaalsContact CD-CB 3.5Å; E575-L686 HydrophobicContact CG-CB 4.2Å; E575-L686 HydrophobicContact CG-CD1 4.41Å; E575-L686 PolarHBondContact OE1-N 2.93Å; E575-L686 VanDerWaalsContact OE2-CB 3.29Å; E575-L686 WeakPolarHBondContact OE2-CB 3.48Å; E575-L686 WeakPolarHBondContact OE2-CG 3.48Å; E575-L686 PolarHBondContact OE2-N 2.86Å; E575-C687 PolarHBondContact OE1-N 3.37Å; E575-E688 PolarHBondContact OE1-N 3.26Å; E575-E688 VanDerWaalsContact OE1-N 3.11Å; E575-E689 HydrophobicContact CG-CB 4.16Å; E575-E689 PolarHBondContact OE1-N 2.79Å; E575-E689 VanDerWaalsContact OE1-N 3.16Å; E575-N690 PolarHBondContact N-O 2.99Å; E575-M691 HydrophobicContact CB-CG 4.25Å; E575-M691 CarbonylContact O-C 3.54Å; E575-M691 WeakPolarHBondContact O-CA 3.17Å; E575-R692 PolarHBondContact O-N 2.85Å; E575-L734 HydrophobicContact CG-CD2 4.03Å |
| 576 | T | 97.7 | Very high | 94.1 | Very high | 13 Ų | 13 | 45.9 Ų | 45.9 | 8% | 0.08 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | -179.6 | 177.2 | -160.3 | 0 | 0 | 0 | 0 | 110.9 | R692 P732 R733 L735 | T576-R692 WeakPolarHBondContact CB-O 3.49Å; T576-R692 PolarHBondContact OG1-O 2.93Å; T576-P732 CarbonylContact O-C 3.57Å; T576-P732 WeakPolarHBondContact O-CA 3.41Å; T576-R733 HydrophobicContact CG2-CB 4.01Å; T576-R733 PolarHBondContact N-O 3.11Å; T576-R733 PolarHBondContact O-N 3.45Å; T576-L735 HydrophobicContact CG2-CD1 4.07Å; T576-L735 HydrophobicContact CG2-CD2 3.8Å; T576-L735 HydrophobicContact CG2-CG 3.66Å |
| 577 | V | 98.1 | Very high | 94.3 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 148.3 | 174.8 | -64.7 | 0 | 0 | 0 | 0 | 109.2 | Q601 V694 V727 A730 P732 | V577-Q601 VanDerWaalsContact CG2-C 3.47Å; V577-V694 HydrophobicContact CG1-CG1 4.46Å; V577-V694 HydrophobicContact CG2-CB 4.4Å; V577-V694 HydrophobicContact CG2-CG1 3.8Å; V577-V694 HydrophobicContact CG2-CG2 4.12Å; V577-V727 HydrophobicContact CG1-CB 4.32Å; V577-V727 HydrophobicContact CG1-CG1 3.91Å; V577-V727 HydrophobicContact CG1-CG2 4.31Å; V577-A730 HydrophobicContact CB-CB 3.83Å; V577-A730 VanDerWaalsContact CB-O 3.28Å; V577-A730 WeakPolarHBondContact CB-O 3.31Å; V577-A730 HydrophobicContact CG1-CB 3.66Å; V577-A730 HydrophobicContact CG2-CB 4.43Å; V577-P732 HydrophobicContact CG1-CB 4.4Å |
| 578 | C | 96.8 | Very high | 94.7 | Very high | 40 Ų | 40 | 41.5 Ų | 41.5 | 27% | 0.27 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -106.9 | -16 | 178.6 | -73.1 | 0 | 0 | 0 | 0 | 113.8 | A730 S731 R733 I813 | C578-A730 PolarHBondContact N-O 3.12Å; C578-S731 PolarHBondContact N-O 3.32Å; C578-S731 VanDerWaalsContact N-O 3.16Å; C578-R733 HydrophobicContact CB-CG 4.45Å; C578-R733 WeakPolarHBondContact SG-CG 3.38Å; C578-I813 VanDerWaalsContact SG-CD1 3.56Å |
| 579 | E | 97.5 | Very high | 95.1 | Very high | 117 Ų | 117 | 35 Ų | 35 | 55% | 0.547 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -135.1 | 164 | -175.2 | -63.8 | -66.3 | 162.5 | 0 | 0 | 110 | P602 A730 | E579-P602 VanDerWaalsContact C-CD 3.45Å; E579-P602 WeakPolarHBondContact O-CD 3.48Å; E579-A730 PolarHBondContact N-O 2.78Å; E579-A730 VanDerWaalsContact O-CB 3.27Å; E579-A730 WeakPolarHBondContact O-CB 3.34Å |
| 580 | E | 98.1 | Very high | 95.3 | Very high | 93 Ų | 93 | 37.2 Ų | 37.2 | 44% | 0.435 | 19% | 0.192 | S | C | . | . | trans | -67.1 | 145.6 | 166.4 | -171.1 | -171 | 154.7 | 0 | 0 | 110.1 | N582 K599 A600 Q601 | E580-N582 PolarHBondContact O-N 2.97Å; E580-N582 VanDerWaalsContact O-N 3.13Å; E580-K599 HydrophobicContact CG-CD 4.38Å; E580-K599 WeakPolarHBondContact OE1-CD 3.41Å; E580-K599 IonicContact OE1-NZ 3.91Å; E580-K599 PolarHBondContact OE1-NZ 3Å; E580-A600 CarbonylContact C-O 3.42Å; E580-A600 WeakPolarHBondContact CA-O 3.34Å; E580-Q601 HydrophobicContact CB-CB 4.15Å; E580-Q601 HydrophobicContact CG-CB 4.18Å | ||
| 581 | S | 98.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | trans | -48.1 | 121.5 | 170.3 | -63.3 | 0 | 0 | 0 | 0 | 111.1 | Q583 A600 A726 T729 | S581-Q583 PolarHBondContact O-N 2.97Å; S581-A600 PolarHBondContact N-O 2.81Å; S581-A600 PolarHBondContact OG-N 3.34Å; S581-A600 PolarHBondContact OG-O 3.45Å; S581-A726 PolarHBondContact OG-O 3.39Å; S581-T729 WeakPolarHBondContact CA-O 3.39Å; S581-T729 WeakPolarHBondContact CB-OG1 3.31Å; S581-T729 PolarHBondContact OG-OG1 3.03Å | ||
| 582 | N | 97.5 | Very high | 95.9 | Very high | 122 Ų | 122 | 44.9 Ų | 44.9 | 65% | 0.652 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -66.5 | -8.5 | -177.2 | 67.5 | 13.2 | 0 | 0 | 0 | 114.6 | E580 T729 | E580-N582 PolarHBondContact O-N 2.97Å; E580-N582 VanDerWaalsContact O-N 3.13Å; N582-T729 PolarHBondContact N-O 2.71Å; N582-T729 WeakPolarHBondContact OD1-CB 3.49Å |
| 583 | Q | 96.9 | Very high | 96.3 | Very high | 79 Ų | 79 | 48.8 Ų | 48.8 | 37% | 0.369 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -150.2 | 162.3 | 177.7 | 68.7 | -165.2 | -72 | 0 | 0 | 111 | S581 C585 T729 | S581-Q583 PolarHBondContact O-N 2.97Å; Q583-C585 PolarHBondContact O-N 3.36Å; Q583-T729 HydrophobicContact CG-CG2 4.03Å |
| 584 | M | 97.9 | Very high | 96.5 | Very high | 82 Ų | 82 | 48.4 Ų | 48.4 | 40% | 0.404 | 24% | 0.241 | S | C | . | . | trans | -72.7 | 119.7 | 169.7 | -173.2 | 64.4 | 69.5 | 0 | 0 | 109.5 | F597 K599 H699 | M584-F597 HydrophobicContact CG-CB 4.05Å; M584-F597 HydrophobicContact CG-CD1 3.98Å; M584-F597 HydrophobicContact SD-CB 3.95Å; M584-K599 HydrophobicContact SD-CG 4.14Å; M584-H699 HydrophobicContact CE-CB 3.48Å; M584-H699 VanDerWaalsContact CE-CB 3.48Å; M584-H699 HydrophobicContact SD-CB 3.78Å | ||
| 585 | C | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 138.9 | 178.7 | -67.9 | 0 | 0 | 0 | 0 | 110.9 | Q583 F597 M598 V722 A725 A726 T729 L849 | Q583-C585 PolarHBondContact O-N 3.36Å; C585-F597 CarbonylContact O-C 3.58Å; C585-F597 WeakPolarHBondContact O-CA 3.44Å; C585-M598 WeakPolarHBondContact CB-O 3.1Å; C585-M598 PolarHBondContact N-O 2.8Å; C585-M598 PolarHBondContact O-N 3.24Å; C585-V722 HydrophobicContact CB-CG2 3.98Å; C585-V722 WeakPolarHBondContact O-CG2 3.5Å; C585-A725 HydrophobicContact CB-CB 3.88Å; C585-A725 PolarHBondContact SG-O 2.99Å; C585-A725 VanDerWaalsContact SG-O 3.4Å; C585-A726 HydrophobicContact CB-CB 4.43Å; C585-T729 PolarHBondContact SG-OG1 3.15Å; C585-T729 VanDerWaalsContact SG-OG1 3.32Å; C585-L849 HydrophobicContact CB-CD1 4.04Å |
| 586 | L | 97.5 | Very high | 96.6 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 138.5 | 179 | 164.7 | 63.8 | 0 | 0 | 0 | 110.4 | R595 I596 F597 D850 L852 | L586-R595 HydrophobicContact CD1-CB 3.68Å; L586-R595 HydrophobicContact CD1-CG 4.29Å; L586-I596 WeakPolarHBondContact CA-O 3.18Å; L586-F597 HydrophobicContact CB-CD1 3.96Å; L586-F597 HydrophobicContact CB-CE1 3.92Å; L586-F597 HydrophobicContact CD1-CD1 4.1Å; L586-F597 HydrophobicContact CD1-CD2 4.4Å; L586-F597 HydrophobicContact CD1-CE1 3.72Å; L586-F597 HydrophobicContact CD1-CE2 4.04Å; L586-F597 HydrophobicContact CD1-CG 4.44Å; L586-F597 HydrophobicContact CD1-CZ 3.7Å; L586-F597 HydrophobicContact CD2-CE1 4.02Å; L586-F597 HydrophobicContact CD2-CZ 4.29Å; L586-F597 HydrophobicContact CG-CD1 4.5Å; L586-F597 HydrophobicContact CG-CE1 4.08Å; L586-F597 HydrophobicContact CG-CZ 4.45Å; L586-D850 HydrophobicContact CG-CB 4.28Å; L586-D850 PolarHBondContact O-N 2.88Å; L586-L852 HydrophobicContact CD2-CB 4.45Å; L586-L852 HydrophobicContact CD2-CD2 4.22Å; L586-L852 HydrophobicContact CD2-CG 3.87Å |
| 587 | S | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 140 | 163.7 | -179 | 0 | 0 | 0 | 0 | 110.8 | R595 I596 T718 R721 | S587-R595 WeakPolarHBondContact O-CA 3.39Å; S587-I596 PolarHBondContact N-O 3.02Å; S587-I596 VanDerWaalsContact N-O 3.1Å; S587-I596 PolarHBondContact O-N 2.88Å; S587-T718 VanDerWaalsContact CB-O 3.29Å; S587-T718 WeakPolarHBondContact CB-O 3.37Å; S587-T718 WeakPolarHBondContact O-CG2 3.49Å; S587-T718 WeakPolarHBondContact OG-CG2 3.12Å; S587-T718 PolarHBondContact OG-O 3.18Å; S587-R721 WeakPolarHBondContact OG-CB 3.36Å |
| 588 | K | 97.3 | Very high | 96.6 | Very high | 45 Ų | 45 | 50.5 Ų | 50.5 | 20% | 0.196 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 141.9 | 177 | -63 | 176.2 | 172.3 | 174.9 | 0 | 109.8 | N594 R595 D850 K851 L852 | K588-N594 WeakPolarHBondContact CA-O 3.42Å; K588-R595 HydrophobicContact CG-CG 4.28Å; K588-D850 WeakPolarHBondContact CB-OD2 3.28Å; K588-D850 HydrophobicContact CD-CB 4.26Å; K588-D850 HydrophobicContact CG-CB 4.09Å; K588-D850 PolarHBondContact N-OD2 3.21Å; K588-K851 WeakPolarHBondContact CE-O 3.19Å; K588-K851 PolarHBondContact NZ-O 3.06Å; K588-L852 WeakPolarHBondContact CE-OXT 3.4Å; K588-L852 PolarHBondContact NZ-OXT 3.14Å |
| 589 | S | 95.7 | Very high | 96.7 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | trans | -64.5 | 157.6 | 172.9 | 55.2 | 0 | 0 | 0 | 0 | 112.7 | N591 K592 N594 T718 | S589-N591 PolarHBondContact O-N 2.78Å; S589-N591 VanDerWaalsContact O-N 3.16Å; S589-N591 PolarHBondContact OG-OD1 2.82Å; S589-K592 VanDerWaalsContact O-CA 3.28Å; S589-K592 WeakPolarHBondContact O-CA 3.42Å; S589-K592 PolarHBondContact O-N 3.25Å; S589-N594 PolarHBondContact N-O 2.87Å; S589-N594 WeakPolarHBondContact OG-CB 3.36Å; S589-N594 PolarHBondContact OG-N 2.69Å; S589-N594 PolarHBondContact OG-ND2 2.8Å; S589-N594 VanDerWaalsContact OG-ND2 3.15Å; S589-N594 PolarHBondContact OG-O 3.26Å; S589-T718 WeakPolarHBondContact CA-OG1 3.36Å | ||
| 590 | P | 93.1 | Very high | 96.8 | Very high | 87 Ų | 87 | 45 Ų | 45 | 57% | 0.565 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -38 | 176.6 | -29.3 | 34 | 0 | 0 | 0 | 113.6 | K592 Q714 | P590-K592 VanDerWaalsContact C-N 3.26Å; P590-K592 PolarHBondContact O-N 2.77Å; P590-Q714 VanDerWaalsContact CD-OE1 3.29Å |
| 591 | N | 93 | Very high | 96.8 | Very high | 42 Ų | 42 | 42.8 Ų | 42.8 | 23% | 0.225 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 0.3 | 174.4 | 68.7 | 12.3 | 0 | 0 | 0 | 114.7 | S589 H593 H709 Q714 | S589-N591 PolarHBondContact O-N 2.78Å; S589-N591 VanDerWaalsContact O-N 3.16Å; S589-N591 PolarHBondContact OG-OD1 2.82Å; N591-H593 PolarHBondContact O-CD2 2.86Å; N591-H593 PolarHBondContact O-N 2.71Å; N591-H593 PolarHBondContact OD1-N 3.15Å; N591-H593 VanDerWaalsContact OD1-N 3.08Å; N591-H709 PolarHBondContact ND2-O 2.91Å; N591-Q714 PolarHBondContact ND2-OE1 3.08Å |
| 592 | K | 93.5 | Very high | 96.7 | Very high | 158 Ų | 158 | 45 Ų | 45 | 69% | 0.687 | 22% | 0.222 | S | C | * | . | S | Bend | trans | 60.7 | 6.7 | -179.8 | -55.1 | 178.9 | -178.5 | 178.1 | 0 | 116.1 | S589 P590 | S589-K592 VanDerWaalsContact O-CA 3.28Å; S589-K592 WeakPolarHBondContact O-CA 3.42Å; S589-K592 PolarHBondContact O-N 3.25Å; P590-K592 VanDerWaalsContact C-N 3.26Å; P590-K592 PolarHBondContact O-N 2.77Å |
| 593 | H | 93.7 | Very high | 96.7 | Very high | 83 Ų | 83 | 39.9 Ų | 39.9 | 38% | 0.384 | 19% | 0.194 | S | C | . | . | trans | -85.4 | -25.4 | -177.7 | -66.7 | -62.2 | 0 | 0 | 0 | 113.8 | N591 H704 H709 | N591-H593 PolarHBondContact O-CD2 2.86Å; N591-H593 PolarHBondContact O-N 2.71Å; N591-H593 PolarHBondContact OD1-N 3.15Å; N591-H593 VanDerWaalsContact OD1-N 3.08Å; H593-H704 HydrophobicContact CB-CB 3.96Å; H593-H704 AromaticContact CG-CD2 3.85Å; H593-H704 AromaticContact ND1-CD2 3.78Å; H593-H709 AromaticContact CD2-CE1 3.99Å; H593-H709 AromaticContact CD2-ND1 3.45Å; H593-H709 PolarHBondContact CD2-ND1 3.29Å; H593-H709 AromaticContact NE2-ND1 3.92Å | ||
| 594 | N | 95.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -111.5 | 147 | 179.6 | -45.7 | -77 | 0 | 0 | 0 | 110.6 | K588 S589 T702 L703 H704 H709 I715 | K588-N594 WeakPolarHBondContact CA-O 3.42Å; S589-N594 PolarHBondContact N-O 2.87Å; S589-N594 WeakPolarHBondContact OG-CB 3.36Å; S589-N594 PolarHBondContact OG-N 2.69Å; S589-N594 PolarHBondContact OG-ND2 2.8Å; S589-N594 VanDerWaalsContact OG-ND2 3.15Å; S589-N594 PolarHBondContact OG-O 3.26Å; N594-T702 CarbonylContact C-O 3.56Å; N594-T702 WeakPolarHBondContact CA-O 3.47Å; N594-L703 HydrophobicContact CB-CD2 4.11Å; N594-H704 PolarHBondContact OD1-N 3.29Å; N594-H704 VanDerWaalsContact OD1-N 3.08Å; N594-H709 PolarHBondContact ND2-O 2.98Å; N594-I715 HydrophobicContact CB-CD1 4.12Å | ||
| 595 | R | 97 | Very high | 96.4 | Very high | 75 Ų | 75 | 42.2 Ų | 42.2 | 28% | 0.283 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 132.3 | -179.4 | -55.3 | -176.9 | -174.8 | 173.2 | -1.9 | 108.4 | L586 S587 K588 F597 V701 T702 | L586-R595 HydrophobicContact CD1-CB 3.68Å; L586-R595 HydrophobicContact CD1-CG 4.29Å; S587-R595 WeakPolarHBondContact O-CA 3.39Å; K588-R595 HydrophobicContact CG-CG 4.28Å; R595-F597 HydrophobicContact CB-CE2 3.9Å; R595-F597 HydrophobicContact CB-CZ 4.41Å; R595-V701 CarbonylContact O-C 3.53Å; R595-V701 VanDerWaalsContact O-CA 3.28Å; R595-V701 WeakPolarHBondContact O-CA 3.42Å; R595-V701 VanDerWaalsContact O-CG1 3.28Å; R595-V701 WeakPolarHBondContact O-CG1 3.41Å; R595-T702 PolarHBondContact N-O 3.03Å; R595-T702 PolarHBondContact O-N 3.01Å |
| 596 | I | 97.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 130 | 178.2 | -51.6 | 178.8 | 0 | 0 | 0 | 107.8 | L586 S587 M598 V673 V701 I715 T718 A719 V722 | L586-I596 WeakPolarHBondContact CA-O 3.18Å; S587-I596 PolarHBondContact N-O 3.02Å; S587-I596 VanDerWaalsContact N-O 3.1Å; S587-I596 PolarHBondContact O-N 2.88Å; I596-M598 HydrophobicContact CG2-CE 3.53Å; I596-M598 HydrophobicContact CG2-CG 4.05Å; I596-V673 HydrophobicContact CD1-CG2 4.46Å; I596-V701 HydrophobicContact CG1-CG1 4.28Å; I596-I715 HydrophobicContact CD1-CG2 4.36Å; I596-T718 HydrophobicContact CB-CG2 4.5Å; I596-T718 HydrophobicContact CD1-CG2 3.82Å; I596-T718 HydrophobicContact CG1-CG2 3.96Å; I596-A719 HydrophobicContact CD1-CB 4.23Å; I596-V722 HydrophobicContact CB-CG1 4.19Å; I596-V722 HydrophobicContact CG2-CG1 3.93Å |
| 597 | F | 98.2 | Very high | 96.1 | Very high | 24 Ų | 24 | 43.2 Ų | 43.2 | 11% | 0.105 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 123.7 | 179 | -59.9 | -97.3 | 0 | 0 | 0 | 110.2 | M584 C585 L586 R595 H699 D700 L852 | M584-F597 HydrophobicContact CG-CB 4.05Å; M584-F597 HydrophobicContact CG-CD1 3.98Å; M584-F597 HydrophobicContact SD-CB 3.95Å; C585-F597 CarbonylContact O-C 3.58Å; C585-F597 WeakPolarHBondContact O-CA 3.44Å; L586-F597 HydrophobicContact CB-CD1 3.96Å; L586-F597 HydrophobicContact CB-CE1 3.92Å; L586-F597 HydrophobicContact CD1-CD1 4.1Å; L586-F597 HydrophobicContact CD1-CD2 4.4Å; L586-F597 HydrophobicContact CD1-CE1 3.72Å; L586-F597 HydrophobicContact CD1-CE2 4.04Å; L586-F597 HydrophobicContact CD1-CG 4.44Å; L586-F597 HydrophobicContact CD1-CZ 3.7Å; L586-F597 HydrophobicContact CD2-CE1 4.02Å; L586-F597 HydrophobicContact CD2-CZ 4.29Å; L586-F597 HydrophobicContact CG-CD1 4.5Å; L586-F597 HydrophobicContact CG-CE1 4.08Å; L586-F597 HydrophobicContact CG-CZ 4.45Å; R595-F597 HydrophobicContact CB-CE2 3.9Å; R595-F597 HydrophobicContact CB-CZ 4.41Å; F597-H699 PolarHBondContact O-N 3.47Å; F597-D700 HydrophobicContact CB-CB 4.07Å; F597-D700 WeakPolarHBondContact CB-O 3.48Å; F597-D700 HydrophobicContact CD2-CB 3.82Å; F597-D700 WeakPolarHBondContact CD2-O 3.37Å; F597-D700 HydrophobicContact CG-CB 4.18Å; F597-D700 PolarHBondContact N-O 2.77Å; F597-L852 HydrophobicContact CZ-CD2 4.19Å |
| 598 | M | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 160.7 | 180 | -56.6 | -167.7 | -178 | 0 | 0 | 113.2 | C585 I596 L656 V673 D697 I698 V722 L723 | C585-M598 WeakPolarHBondContact CB-O 3.1Å; C585-M598 PolarHBondContact N-O 2.8Å; C585-M598 PolarHBondContact O-N 3.24Å; I596-M598 HydrophobicContact CG2-CE 3.53Å; I596-M598 HydrophobicContact CG2-CG 4.05Å; M598-L656 HydrophobicContact CE-CD1 4.35Å; M598-L656 HydrophobicContact SD-CD1 4.37Å; M598-V673 HydrophobicContact CE-CG1 3.84Å; M598-D697 WeakPolarHBondContact CA-O 3.26Å; M598-D697 WeakPolarHBondContact CB-O 3.45Å; M598-I698 HydrophobicContact CE-CD1 4.06Å; M598-I698 HydrophobicContact CE-CG1 3.72Å; M598-I698 HydrophobicContact CG-CG1 4.5Å; M598-I698 HydrophobicContact SD-CG1 4.32Å; M598-V722 HydrophobicContact CB-CG1 4.4Å; M598-V722 HydrophobicContact CB-CG2 3.9Å; M598-V722 HydrophobicContact CE-CG1 3.91Å; M598-V722 HydrophobicContact CG-CG1 3.8Å; M598-V722 HydrophobicContact CG-CG2 4.05Å; M598-V722 HydrophobicContact SD-CG1 3.69Å; M598-L723 HydrophobicContact SD-CD2 3.56Å; M598-L723 VanDerWaalsContact SD-CD2 3.56Å; M598-L723 HydrophobicContact SD-CG 4.03Å |
| 599 | K | 98.5 | Very high | 95.7 | Very high | 42 Ų | 42 | 44 Ų | 44 | 18% | 0.183 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 157.2 | 162.1 | -72.7 | -174.3 | 159.3 | -170 | 0 | 110.1 | E580 M584 F696 D697 | E580-K599 HydrophobicContact CG-CD 4.38Å; E580-K599 WeakPolarHBondContact OE1-CD 3.41Å; E580-K599 IonicContact OE1-NZ 3.91Å; E580-K599 PolarHBondContact OE1-NZ 3Å; M584-K599 HydrophobicContact SD-CG 4.14Å; K599-F696 WeakPolarHBondContact O-CA 3.26Å; K599-D697 PolarHBondContact N-O 3.36Å; K599-D697 VanDerWaalsContact N-O 3.14Å; K599-D697 PolarHBondContact O-N 3.33Å |
| 600 | A | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 150.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | E580 S581 V694 R695 F696 A726 A730 | E580-A600 CarbonylContact C-O 3.42Å; E580-A600 WeakPolarHBondContact CA-O 3.34Å; S581-A600 PolarHBondContact N-O 2.81Å; S581-A600 PolarHBondContact OG-N 3.34Å; S581-A600 PolarHBondContact OG-O 3.45Å; A600-V694 HydrophobicContact CB-CG1 4.11Å; A600-R695 CarbonylContact C-O 3.55Å; A600-R695 VanDerWaalsContact CA-O 3.28Å; A600-R695 WeakPolarHBondContact CA-O 3.44Å; A600-F696 HydrophobicContact CB-CD1 3.8Å; A600-F696 HydrophobicContact CB-CE1 3.75Å; A600-A726 HydrophobicContact CB-CB 3.8Å; A600-A730 HydrophobicContact CB-CB 4.15Å |
| 601 | Q | 98.1 | Very high | 95.5 | Very high | 47 Ų | 47 | 40.5 Ų | 40.5 | 22% | 0.22 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 155.9 | 174.7 | 56.8 | 179 | -31.3 | 0 | 0 | 110.5 | V577 E580 R695 D697 | V577-Q601 VanDerWaalsContact CG2-C 3.47Å; E580-Q601 HydrophobicContact CB-CB 4.15Å; E580-Q601 HydrophobicContact CG-CB 4.18Å; Q601-R695 HydrophobicContact CG-CB 3.95Å; Q601-R695 HydrophobicContact CG-CG 4Å; Q601-R695 PolarHBondContact N-O 2.8Å; Q601-R695 PolarHBondContact O-N 3.22Å; Q601-D697 PolarHBondContact NE2-OD2 3.07Å |
| 602 | P | 97.8 | Very high | 95.2 | Very high | 49 Ų | 49 | 42.5 Ų | 42.5 | 32% | 0.318 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 145.2 | 172.5 | 26.2 | -35.8 | 0 | 0 | 0 | 110.4 | E579 | E579-P602 VanDerWaalsContact C-CD 3.45Å; E579-P602 WeakPolarHBondContact O-CD 3.48Å |
| 603 | M | 96.5 | Very high | 94.7 | Very high | 14 Ų | 14 | 41.1 Ų | 41.1 | 7% | 0.069 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -74 | 150.6 | 166.7 | -67.5 | 176.3 | 65 | 0 | 0 | 109.9 | L607 I611 P653 I655 G693 R695 | M603-L607 HydrophobicContact CE-CB 4.25Å; M603-L607 HydrophobicContact CE-CD2 3.35Å; M603-L607 HydrophobicContact CE-CG 3.46Å; M603-L607 VanDerWaalsContact CE-CG 3.46Å; M603-I611 HydrophobicContact CE-CD1 3.45Å; M603-I611 VanDerWaalsContact CE-CD1 3.45Å; M603-P653 VanDerWaalsContact SD-O 3.4Å; M603-I655 HydrophobicContact CE-CD1 4.47Å; M603-I655 HydrophobicContact CE-CG1 4.47Å; M603-I655 HydrophobicContact CE-CG2 4.34Å; M603-I655 HydrophobicContact SD-CG1 4.37Å; M603-G693 WeakPolarHBondContact CG-O 3.39Å; M603-G693 PolarHBondContact N-O 2.84Å; M603-R695 HydrophobicContact CG-CB 4.05Å |
| 604 | P | 95.1 | Very high | 94.2 | Very high | 48 Ų | 48 | 38 Ų | 38 | 31% | 0.312 | 20% | 0.202 | S | C | . | . | P | Polyproline II helix | trans | -58 | 146.6 | 172.9 | -25.7 | 36 | 0 | 0 | 0 | 112.4 | G606 L607 Y633 Y635 | P604-G606 PolarHBondContact O-N 2.95Å; P604-L607 WeakPolarHBondContact O-CB 3.43Å; P604-L607 PolarHBondContact O-N 2.96Å; P604-Y633 HydrophobicContact CB-CD1 4.15Å; P604-Y635 HydrophobicContact CG-CE2 3.86Å |
| 605 | D | 93.3 | Very high | 93.7 | Very high | 161 Ų | 161 | 42.1 Ų | 42.1 | 86% | 0.861 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 136.9 | 178.7 | -65.5 | -25 | 0 | 0 | 0 | 111.7 | L607 | D605-L607 VanDerWaalsContact C-N 3.26Å; D605-L607 PolarHBondContact O-N 3.26Å |
| 606 | G | 93 | Very high | 93.4 | Very high | 27 Ų | 27 | 38.6 Ų | 38.6 | 28% | 0.278 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | -22.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | P604 E609 D610 Y633 | P604-G606 PolarHBondContact O-N 2.95Å; G606-E609 WeakPolarHBondContact CA-OE2 3.22Å; G606-E609 PolarHBondContact N-OE2 2.95Å; G606-E609 PolarHBondContact O-N 3.49Å; G606-D610 PolarHBondContact O-N 3.03Å; G606-Y633 PolarHBondContact O-OH 3.36Å |
| 607 | L | 96.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.8 | -39.1 | -177 | 179.1 | 56.2 | 0 | 0 | 0 | 112.1 | M603 P604 D605 E609 D610 I611 V616 L629 Y633 Y635 | M603-L607 HydrophobicContact CE-CB 4.25Å; M603-L607 HydrophobicContact CE-CD2 3.35Å; M603-L607 HydrophobicContact CE-CG 3.46Å; M603-L607 VanDerWaalsContact CE-CG 3.46Å; P604-L607 WeakPolarHBondContact O-CB 3.43Å; P604-L607 PolarHBondContact O-N 2.96Å; D605-L607 VanDerWaalsContact C-N 3.26Å; D605-L607 PolarHBondContact O-N 3.26Å; L607-E609 VanDerWaalsContact C-N 3.3Å; L607-E609 PolarHBondContact O-N 3.13Å; L607-D610 PolarHBondContact O-N 2.95Å; L607-I611 HydrophobicContact CD1-CD1 4.11Å; L607-I611 HydrophobicContact CD1-CG1 4.26Å; L607-I611 HydrophobicContact CG-CD1 4.03Å; L607-I611 WeakPolarHBondContact O-CD1 3.4Å; L607-I611 VanDerWaalsContact O-CG1 3.28Å; L607-I611 WeakPolarHBondContact O-CG1 3.33Å; L607-I611 PolarHBondContact O-N 3.03Å; L607-V616 HydrophobicContact CD1-CG2 4.02Å; L607-L629 HydrophobicContact CD1-CD2 3.49Å; L607-L629 VanDerWaalsContact CD1-CD2 3.49Å; L607-L629 HydrophobicContact CD2-CD2 3.98Å; L607-L629 HydrophobicContact CG-CD2 4.41Å; L607-Y633 HydrophobicContact CB-CD1 3.79Å; L607-Y633 HydrophobicContact CB-CD2 4.36Å; L607-Y633 HydrophobicContact CB-CE1 3.72Å; L607-Y633 HydrophobicContact CB-CE2 4.29Å; L607-Y633 HydrophobicContact CB-CG 4.1Å; L607-Y633 HydrophobicContact CD1-CD2 3.7Å; L607-Y633 HydrophobicContact CD1-CE2 3.6Å; L607-Y633 HydrophobicContact CD1-CG 4.23Å; L607-Y633 HydrophobicContact CD2-CG 4.4Å; L607-Y633 HydrophobicContact CG-CD2 4.4Å; L607-Y633 HydrophobicContact CG-CE2 4.47Å; L607-Y633 HydrophobicContact CG-CG 4.46Å; L607-Y635 HydrophobicContact CD2-CE2 3.65Å |
| 608 | A | 94.6 | Very high | 92.2 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 5% | 0.05 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.6 | -40 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | I611 D612 P653 | A608-I611 PolarHBondContact O-N 3.02Å; A608-D612 PolarHBondContact O-N 3.5Å; A608-P653 HydrophobicContact CB-CB 4.02Å |
| 609 | E | 91.6 | Very high | 91.6 | Very high | 55 Ų | 55 | 51.1 Ų | 51.1 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 177.2 | -65.8 | 62.5 | -135.1 | 0 | 0 | 111.6 | G606 L607 I611 D612 K613 R692 | G606-E609 WeakPolarHBondContact CA-OE2 3.22Å; G606-E609 PolarHBondContact N-OE2 2.95Å; G606-E609 PolarHBondContact O-N 3.49Å; L607-E609 VanDerWaalsContact C-N 3.3Å; L607-E609 PolarHBondContact O-N 3.13Å; E609-I611 VanDerWaalsContact C-N 3.32Å; E609-I611 PolarHBondContact O-N 3.35Å; E609-D612 PolarHBondContact O-N 2.8Å; E609-K613 WeakPolarHBondContact O-CB 3.4Å; E609-K613 VanDerWaalsContact O-CG 3.27Å; E609-K613 WeakPolarHBondContact O-CG 3.2Å; E609-K613 PolarHBondContact O-N 2.71Å; E609-R692 IonicContact OE1-CZ 3.75Å; E609-R692 VanDerWaalsContact OE1-CZ 3.32Å; E609-R692 IonicContact OE1-NH1 3.9Å; E609-R692 PolarHBondContact OE1-NH1 2.83Å; E609-R692 IonicContact OE1-NH2 3.51Å; E609-R692 PolarHBondContact OE1-NH2 2.9Å |
| 610 | D | 92.4 | Very high | 91 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.9 | -34.7 | 176 | -87.8 | 21.7 | 0 | 0 | 0 | 112.2 | G606 L607 G614 D615 V616 R632 Y633 | G606-D610 PolarHBondContact O-N 3.03Å; L607-D610 PolarHBondContact O-N 2.95Å; D610-G614 PolarHBondContact O-N 2.89Å; D610-D615 HydrophobicContact CB-CB 4.12Å; D610-D615 PolarHBondContact O-N 2.8Å; D610-V616 HydrophobicContact CB-CG2 4.35Å; D610-V616 PolarHBondContact O-N 2.79Å; D610-R632 IonicContact OD1-CZ 3.52Å; D610-R632 IonicContact OD1-NH1 2.83Å; D610-R632 IonicContact OD1-NH2 3.27Å; D610-R632 PolarHBondContact OD1-NH2 2.72Å; D610-R632 VanDerWaalsContact OD1-NH2 3.11Å; D610-R632 IonicContact OD2-CZ 3.35Å; D610-R632 IonicContact OD2-NE 3.82Å; D610-R632 IonicContact OD2-NH1 3.51Å; D610-R632 PolarHBondContact OD2-NH1 3.41Å; D610-R632 IonicContact OD2-NH2 3.82Å; D610-R632 PolarHBondContact OD2-NH2 3.03Å; D610-Y633 PolarHBondContact OD2-OH 3.3Å |
| 611 | I | 92.7 | Very high | 90.6 | Very high | 9 Ų | 9 | 56.3 Ų | 56.3 | 5% | 0.046 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.6 | -44.6 | 173.1 | -66.4 | 161.8 | 0 | 0 | 0 | 110.7 | M603 L607 A608 E609 K613 G614 V616 F646 P653 | M603-I611 HydrophobicContact CE-CD1 3.45Å; M603-I611 VanDerWaalsContact CE-CD1 3.45Å; L607-I611 HydrophobicContact CD1-CD1 4.11Å; L607-I611 HydrophobicContact CD1-CG1 4.26Å; L607-I611 HydrophobicContact CG-CD1 4.03Å; L607-I611 WeakPolarHBondContact O-CD1 3.4Å; L607-I611 VanDerWaalsContact O-CG1 3.28Å; L607-I611 WeakPolarHBondContact O-CG1 3.33Å; L607-I611 PolarHBondContact O-N 3.03Å; A608-I611 PolarHBondContact O-N 3.02Å; E609-I611 VanDerWaalsContact C-N 3.32Å; E609-I611 PolarHBondContact O-N 3.35Å; I611-K613 VanDerWaalsContact C-N 3.29Å; I611-K613 PolarHBondContact O-N 3.36Å; I611-G614 WeakPolarHBondContact O-CA 3.23Å; I611-G614 PolarHBondContact O-N 2.86Å; I611-V616 HydrophobicContact CG1-CB 3.83Å; I611-V616 HydrophobicContact CG1-CG1 4.03Å; I611-F646 HydrophobicContact CD1-CD1 4.08Å; I611-F646 HydrophobicContact CD1-CE1 3.72Å; I611-F646 HydrophobicContact CG1-CD1 4.48Å; I611-F646 HydrophobicContact CG1-CE1 4.03Å; I611-F646 HydrophobicContact CG2-CD1 4.21Å; I611-F646 HydrophobicContact CG2-CE1 4.5Å; I611-P653 HydrophobicContact CB-CB 4.19Å; I611-P653 HydrophobicContact CG2-CB 4.12Å |
| 612 | D | 87.1 | Confident | 90.3 | Very high | 85 Ų | 85 | 57.2 Ų | 57.2 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.3 | -40 | 176.6 | -73.8 | -33.6 | 0 | 0 | 0 | 111.5 | A608 E609 G614 P653 R692 | A608-D612 PolarHBondContact O-N 3.5Å; E609-D612 PolarHBondContact O-N 2.8Å; D612-G614 VanDerWaalsContact C-N 3.25Å; D612-G614 PolarHBondContact O-N 3.5Å; D612-P653 WeakPolarHBondContact OD1-CG 3.02Å; D612-R692 IonicContact OD2-CZ 3.14Å; D612-R692 VanDerWaalsContact OD2-CZ 3.27Å; D612-R692 IonicContact OD2-NE 2.71Å; D612-R692 PolarHBondContact OD2-NE 3.21Å; D612-R692 IonicContact OD2-NH2 2.71Å; D612-R692 PolarHBondContact OD2-NH2 2.74Å |
| 613 | K | 82.5 | Confident | 90 | Very high | 128 Ų | 128 | 61.3 Ų | 61.3 | 56% | 0.557 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -71.4 | -21.4 | 173.5 | -69.5 | 168.6 | -173.6 | 171.5 | 0 | 112.7 | K492 E609 I611 | K492-K613 PolarHBondContact NZ-O 3.04Å; E609-K613 WeakPolarHBondContact O-CB 3.4Å; E609-K613 VanDerWaalsContact O-CG 3.27Å; E609-K613 WeakPolarHBondContact O-CG 3.2Å; E609-K613 PolarHBondContact O-N 2.71Å; I611-K613 VanDerWaalsContact C-N 3.29Å; I611-K613 PolarHBondContact O-N 3.36Å |
| 614 | G | 83.2 | Confident | 89.8 | Confident | 19 Ų | 19 | 65 Ų | 65 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 26.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D610 I611 D612 V616 | D610-G614 PolarHBondContact O-N 2.89Å; I611-G614 WeakPolarHBondContact O-CA 3.23Å; I611-G614 PolarHBondContact O-N 2.86Å; D612-G614 VanDerWaalsContact C-N 3.25Å; D612-G614 PolarHBondContact O-N 3.5Å; G614-V616 VanDerWaalsContact C-N 3.27Å |
| 615 | D | 85.6 | Confident | 89.8 | Confident | 86 Ų | 86 | 63.3 Ų | 63.3 | 46% | 0.46 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -73.9 | -24.2 | 167.9 | -60.1 | -33.4 | 0 | 0 | 0 | 111.1 | D610 | D610-D615 HydrophobicContact CB-CB 4.12Å; D610-D615 PolarHBondContact O-N 2.8Å |
| 616 | V | 90.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -120.9 | 115.1 | 166.8 | 178.3 | 0 | 0 | 0 | 0 | 108 | L607 D610 I611 G614 R625 L628 L629 F646 | L607-V616 HydrophobicContact CD1-CG2 4.02Å; D610-V616 HydrophobicContact CB-CG2 4.35Å; D610-V616 PolarHBondContact O-N 2.79Å; I611-V616 HydrophobicContact CG1-CB 3.83Å; I611-V616 HydrophobicContact CG1-CG1 4.03Å; G614-V616 VanDerWaalsContact C-N 3.27Å; V616-R625 HydrophobicContact CG1-CG 4.26Å; V616-L628 HydrophobicContact CG2-CD2 3.9Å; V616-L629 HydrophobicContact CG1-CD2 4.29Å; V616-F646 HydrophobicContact CG1-CE1 4.2Å; V616-F646 HydrophobicContact CG1-CZ 4.06Å |
| 617 | N | 85.6 | Confident | 89.9 | Confident | 44 Ų | 44 | 61.2 Ų | 61.2 | 24% | 0.235 | 30% | 0.3 | C | S | . | . | trans | -123.3 | 145.1 | -174 | -160.1 | -69.5 | 0 | 0 | 0 | 112.5 | R619 D620 R625 | N617-R619 PolarHBondContact O-N 2.87Å; N617-R619 VanDerWaalsContact O-N 3.12Å; N617-R619 WeakPolarHBondContact OD1-CB 3.44Å; N617-R619 WeakPolarHBondContact OD1-CG 3.49Å; N617-R619 PolarHBondContact OD1-N 3.23Å; N617-D620 PolarHBondContact N-OD2 3.48Å; N617-D620 WeakPolarHBondContact O-CB 3.18Å; N617-D620 PolarHBondContact O-N 2.8Å; N617-D620 VanDerWaalsContact O-N 3.11Å; N617-R625 WeakPolarHBondContact O-CD 3.41Å | ||
| 618 | P | 85.1 | Confident | 89.8 | Confident | 46 Ų | 46 | 63.8 Ų | 63.8 | 30% | 0.299 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -29.2 | 168.7 | -20.3 | 20.7 | 0 | 0 | 0 | 114.8 | F646 G650 | P618-F646 HydrophobicContact CB-CD2 3.8Å; P618-F646 HydrophobicContact CB-CE2 4.27Å; P618-F646 HydrophobicContact CG-CB 3.94Å; P618-F646 HydrophobicContact CG-CD2 3.57Å; P618-F646 HydrophobicContact CG-CE2 4.23Å; P618-F646 HydrophobicContact CG-CG 3.87Å; P618-G650 WeakPolarHBondContact CG-O 3.3Å |
| 619 | R | 84.6 | Confident | 89.8 | Confident | 198 Ų | 198 | 63.6 Ų | 63.6 | 75% | 0.747 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -10.3 | -178.2 | -63.1 | -177.1 | 178.9 | -175.6 | 0.3 | 113.9 | N617 | N617-R619 PolarHBondContact O-N 2.87Å; N617-R619 VanDerWaalsContact O-N 3.12Å; N617-R619 WeakPolarHBondContact OD1-CB 3.44Å; N617-R619 WeakPolarHBondContact OD1-CG 3.49Å; N617-R619 PolarHBondContact OD1-N 3.23Å |
| 620 | D | 85.7 | Confident | 90 | Very high | 58 Ų | 58 | 62.3 Ų | 62.3 | 31% | 0.31 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -64.5 | 148.9 | 179.6 | -63.2 | -23.9 | 0 | 0 | 0 | 111.1 | N617 V622 R625 | N617-D620 PolarHBondContact N-OD2 3.48Å; N617-D620 WeakPolarHBondContact O-CB 3.18Å; N617-D620 PolarHBondContact O-N 2.8Å; N617-D620 VanDerWaalsContact O-N 3.11Å; D620-V622 PolarHBondContact O-N 2.88Å; D620-R625 HydrophobicContact CB-CB 3.94Å; D620-R625 HydrophobicContact CB-CG 4.48Å |
| 621 | D | 90.3 | Very high | 90.1 | Very high | 94 Ų | 94 | 69.7 Ų | 69.7 | 50% | 0.503 | 35% | 0.345 | S | S | . | . | trans | -53.7 | 129.7 | 172 | 174 | 73.5 | 0 | 0 | 0 | 110.3 | K623 T624 R625 | D621-K623 PolarHBondContact O-N 3Å; D621-K623 WeakPolarHBondContact OD2-CA 3.48Å; D621-K623 VanDerWaalsContact OD2-CB 3.31Å; D621-K623 WeakPolarHBondContact OD2-CB 3.17Å; D621-K623 PolarHBondContact OD2-N 3.33Å; D621-T624 PolarHBondContact O-N 2.82Å; D621-T624 PolarHBondContact OD2-N 3.33Å; D621-T624 PolarHBondContact OD2-OG1 2.81Å; D621-R625 WeakPolarHBondContact O-CB 3.47Å; D621-R625 PolarHBondContact O-N 3.48Å | ||
| 622 | V | 91.7 | Very high | 90.2 | Very high | 66 Ų | 66 | 76 Ų | 76 | 40% | 0.4 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.4 | -34.6 | -172.3 | 179 | 0 | 0 | 0 | 0 | 111.8 | D620 G626 R641 | D620-V622 PolarHBondContact O-N 2.88Å; V622-G626 PolarHBondContact O-N 3.18Å; V622-R641 HydrophobicContact CG1-CB 3.98Å; V622-R641 HydrophobicContact CG1-CG 4.19Å; V622-R641 VanDerWaalsContact CG1-O 3.28Å; V622-R641 WeakPolarHBondContact CG1-O 3.48Å |
| 623 | K | 93.1 | Very high | 90.6 | Very high | 134 Ų | 134 | 73 Ų | 73 | 58% | 0.583 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -76.3 | -43.6 | -179.9 | -63.6 | 177.4 | -178.8 | 172.8 | 0 | 111 | D621 G626 R627 | D621-K623 PolarHBondContact O-N 3Å; D621-K623 WeakPolarHBondContact OD2-CA 3.48Å; D621-K623 VanDerWaalsContact OD2-CB 3.31Å; D621-K623 WeakPolarHBondContact OD2-CB 3.17Å; D621-K623 PolarHBondContact OD2-N 3.33Å; K623-G626 PolarHBondContact O-N 2.9Å; K623-R627 WeakPolarHBondContact O-CG 3.35Å; K623-R627 PolarHBondContact O-N 2.71Å |
| 624 | T | 92.6 | Very high | 91.1 | Very high | 93 Ų | 93 | 70.1 Ų | 70.1 | 57% | 0.571 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.4 | -50.3 | 177.6 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | D621 G626 R627 L628 | D621-T624 PolarHBondContact O-N 2.82Å; D621-T624 PolarHBondContact OD2-N 3.33Å; D621-T624 PolarHBondContact OD2-OG1 2.81Å; T624-G626 VanDerWaalsContact C-N 3.33Å; T624-G626 PolarHBondContact O-N 3.12Å; T624-R627 PolarHBondContact O-N 3.1Å; T624-L628 PolarHBondContact O-N 2.74Å |
| 625 | R | 94.4 | Very high | 91.6 | Very high | 11 Ų | 11 | 69.9 Ų | 69.9 | 4% | 0.042 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.6 | -43.9 | 175.3 | -177.5 | 170 | 60.1 | 98.9 | -1.5 | 111.9 | V616 N617 D620 D621 R627 L628 L629 F646 | V616-R625 HydrophobicContact CG1-CG 4.26Å; N617-R625 WeakPolarHBondContact O-CD 3.41Å; D620-R625 HydrophobicContact CB-CB 3.94Å; D620-R625 HydrophobicContact CB-CG 4.48Å; D621-R625 WeakPolarHBondContact O-CB 3.47Å; D621-R625 PolarHBondContact O-N 3.48Å; R625-R627 VanDerWaalsContact C-N 3.32Å; R625-R627 PolarHBondContact O-N 3.43Å; R625-L628 PolarHBondContact O-N 3.47Å; R625-L629 HydrophobicContact CG-CD1 4.14Å; R625-L629 HydrophobicContact CG-CG 4.47Å; R625-L629 WeakPolarHBondContact O-CG 3.29Å; R625-L629 PolarHBondContact O-N 2.95Å; R625-F646 VanDerWaalsContact NH1-CZ 3.33Å |
| 626 | G | 93.7 | Very high | 92 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.5 | -36.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V622 K623 T624 A630 | V622-G626 PolarHBondContact O-N 3.18Å; K623-G626 PolarHBondContact O-N 2.9Å; T624-G626 VanDerWaalsContact C-N 3.33Å; T624-G626 PolarHBondContact O-N 3.12Å; G626-A630 WeakPolarHBondContact O-CB 3.36Å; G626-A630 PolarHBondContact O-N 2.89Å |
| 627 | R | 94.2 | Very high | 92.1 | Very high | 144 Ų | 144 | 71.5 Ų | 71.5 | 54% | 0.543 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.5 | -46 | 174 | -73.7 | 177.6 | -178 | 173.1 | 0.8 | 111.9 | K623 T624 R625 L629 A630 E631 | K623-R627 WeakPolarHBondContact O-CG 3.35Å; K623-R627 PolarHBondContact O-N 2.71Å; T624-R627 PolarHBondContact O-N 3.1Å; R625-R627 VanDerWaalsContact C-N 3.32Å; R625-R627 PolarHBondContact O-N 3.43Å; R627-L629 VanDerWaalsContact C-N 3.32Å; R627-L629 PolarHBondContact O-N 3.48Å; R627-A630 PolarHBondContact O-N 3.4Å; R627-A630 VanDerWaalsContact O-N 3.11Å; R627-E631 WeakPolarHBondContact O-CB 3.27Å; R627-E631 WeakPolarHBondContact O-CG 3.3Å; R627-E631 PolarHBondContact O-N 3.17Å |
| 628 | L | 93.6 | Very high | 92.4 | Very high | 56 Ų | 56 | 73.7 Ų | 73.7 | 29% | 0.293 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -55.7 | -46.9 | 177.3 | 177.3 | 66.2 | 0 | 0 | 0 | 111.6 | V616 T624 R625 A630 E631 R632 | V616-L628 HydrophobicContact CG2-CD2 3.9Å; T624-L628 PolarHBondContact O-N 2.74Å; R625-L628 PolarHBondContact O-N 3.47Å; L628-A630 VanDerWaalsContact C-N 3.34Å; L628-A630 PolarHBondContact O-N 2.89Å; L628-E631 PolarHBondContact O-N 3.31Å; L628-R632 WeakPolarHBondContact O-CB 3.28Å; L628-R632 PolarHBondContact O-N 2.94Å |
| 629 | L | 95.7 | Very high | 92.8 | Very high | 3 Ų | 3 | 74.5 Ų | 74.5 | 2% | 0.016 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.9 | -37.8 | 177.2 | -69.9 | 175.5 | 0 | 0 | 0 | 112.5 | L607 V616 R625 R627 Y633 G634 Y635 A640 I643 | L607-L629 HydrophobicContact CD1-CD2 3.49Å; L607-L629 VanDerWaalsContact CD1-CD2 3.49Å; L607-L629 HydrophobicContact CD2-CD2 3.98Å; L607-L629 HydrophobicContact CG-CD2 4.41Å; V616-L629 HydrophobicContact CG1-CD2 4.29Å; R625-L629 HydrophobicContact CG-CD1 4.14Å; R625-L629 HydrophobicContact CG-CG 4.47Å; R625-L629 WeakPolarHBondContact O-CG 3.29Å; R625-L629 PolarHBondContact O-N 2.95Å; R627-L629 VanDerWaalsContact C-N 3.32Å; R627-L629 PolarHBondContact O-N 3.48Å; L629-Y633 HydrophobicContact CD2-CD2 4.08Å; L629-Y633 CarbonylContact O-C 3.49Å; L629-Y633 WeakPolarHBondContact O-CA 3.48Å; L629-Y633 WeakPolarHBondContact O-CB 3.35Å; L629-Y633 PolarHBondContact O-N 3.32Å; L629-Y633 VanDerWaalsContact O-N 3.13Å; L629-G634 PolarHBondContact O-N 2.62Å; L629-Y635 HydrophobicContact CB-CD2 4.28Å; L629-Y635 HydrophobicContact CB-CG 4.11Å; L629-Y635 PolarHBondContact O-N 3.16Å; L629-A640 HydrophobicContact CB-CB 4.11Å; L629-A640 HydrophobicContact CD1-CB 4.11Å; L629-I643 HydrophobicContact CD1-CD1 3.47Å; L629-I643 VanDerWaalsContact CD1-CD1 3.47Å |
| 630 | A | 94.7 | Very high | 93.3 | Very high | 28 Ų | 28 | 65.1 Ų | 65.1 | 23% | 0.231 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.1 | -45.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G626 R627 L628 G634 Y635 V637 | G626-A630 WeakPolarHBondContact O-CB 3.36Å; G626-A630 PolarHBondContact O-N 2.89Å; R627-A630 PolarHBondContact O-N 3.4Å; R627-A630 VanDerWaalsContact O-N 3.11Å; L628-A630 VanDerWaalsContact C-N 3.34Å; L628-A630 PolarHBondContact O-N 2.89Å; A630-G634 WeakPolarHBondContact O-CA 3.31Å; A630-G634 PolarHBondContact O-N 3.49Å; A630-Y635 VanDerWaalsContact CA-O 3.28Å; A630-Y635 WeakPolarHBondContact CA-O 3.2Å; A630-Y635 VanDerWaalsContact CB-O 3.25Å; A630-Y635 WeakPolarHBondContact CB-O 3.28Å; A630-V637 HydrophobicContact CB-CB 4.18Å |
| 631 | E | 94.6 | Very high | 93.7 | Very high | 161 Ų | 161 | 66.8 Ų | 66.8 | 75% | 0.752 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -73.4 | -43.3 | -174.9 | -71.6 | 170.4 | -169.6 | 0 | 0 | 112.8 | R627 L628 | R627-E631 WeakPolarHBondContact O-CB 3.27Å; R627-E631 WeakPolarHBondContact O-CG 3.3Å; R627-E631 PolarHBondContact O-N 3.17Å; L628-E631 PolarHBondContact O-N 3.31Å |
| 632 | R | 95.5 | Very high | 93.9 | Very high | 142 Ų | 142 | 66.5 Ų | 66.5 | 54% | 0.536 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -92.8 | -30.7 | -174.4 | -171.3 | 168.3 | 175.1 | -161.7 | -15.8 | 113.7 | D610 L628 | D610-R632 IonicContact OD1-CZ 3.52Å; D610-R632 IonicContact OD1-NH1 2.83Å; D610-R632 IonicContact OD1-NH2 3.27Å; D610-R632 PolarHBondContact OD1-NH2 2.72Å; D610-R632 VanDerWaalsContact OD1-NH2 3.11Å; D610-R632 IonicContact OD2-CZ 3.35Å; D610-R632 IonicContact OD2-NE 3.82Å; D610-R632 IonicContact OD2-NH1 3.51Å; D610-R632 PolarHBondContact OD2-NH1 3.41Å; D610-R632 IonicContact OD2-NH2 3.82Å; D610-R632 PolarHBondContact OD2-NH2 3.03Å; L628-R632 WeakPolarHBondContact O-CB 3.28Å; L628-R632 PolarHBondContact O-N 2.94Å |
| 633 | Y | 95.9 | Very high | 94.2 | Very high | 23 Ų | 23 | 64 Ų | 64 | 9% | 0.09 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -123 | 4 | -171.1 | -61.1 | -69.3 | 0 | 0 | 0 | 114 | P604 G606 L607 D610 L629 Y635 | P604-Y633 HydrophobicContact CB-CD1 4.15Å; G606-Y633 PolarHBondContact O-OH 3.36Å; L607-Y633 HydrophobicContact CB-CD1 3.79Å; L607-Y633 HydrophobicContact CB-CD2 4.36Å; L607-Y633 HydrophobicContact CB-CE1 3.72Å; L607-Y633 HydrophobicContact CB-CE2 4.29Å; L607-Y633 HydrophobicContact CB-CG 4.1Å; L607-Y633 HydrophobicContact CD1-CD2 3.7Å; L607-Y633 HydrophobicContact CD1-CE2 3.6Å; L607-Y633 HydrophobicContact CD1-CG 4.23Å; L607-Y633 HydrophobicContact CD2-CG 4.4Å; L607-Y633 HydrophobicContact CG-CD2 4.4Å; L607-Y633 HydrophobicContact CG-CE2 4.47Å; L607-Y633 HydrophobicContact CG-CG 4.46Å; D610-Y633 PolarHBondContact OD2-OH 3.3Å; L629-Y633 HydrophobicContact CD2-CD2 4.08Å; L629-Y633 CarbonylContact O-C 3.49Å; L629-Y633 WeakPolarHBondContact O-CA 3.48Å; L629-Y633 WeakPolarHBondContact O-CB 3.35Å; L629-Y633 PolarHBondContact O-N 3.32Å; L629-Y633 VanDerWaalsContact O-N 3.13Å; Y633-Y635 VanDerWaalsContact C-N 3.32Å; Y633-Y635 PolarHBondContact O-N 3.1Å |
| 634 | G | 93.3 | Very high | 94.3 | Very high | 67 Ų | 67 | 58.9 Ų | 58.9 | 69% | 0.691 | 29% | 0.294 | S | S | * | . | trans | 71 | 20.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L629 A630 | L629-G634 PolarHBondContact O-N 2.62Å; A630-G634 WeakPolarHBondContact O-CA 3.31Å; A630-G634 PolarHBondContact O-N 3.49Å | ||
| 635 | Y | 92.8 | Very high | 94.4 | Very high | 14 Ų | 14 | 55.3 Ų | 55.3 | 6% | 0.055 | 27% | 0.272 | C | S | . | . | trans | -67.2 | 148 | 175.1 | -84 | -115.2 | 0 | 0 | 0 | 112 | P604 L607 L629 A630 Y633 V637 A640 I655 | P604-Y635 HydrophobicContact CG-CE2 3.86Å; L607-Y635 HydrophobicContact CD2-CE2 3.65Å; L629-Y635 HydrophobicContact CB-CD2 4.28Å; L629-Y635 HydrophobicContact CB-CG 4.11Å; L629-Y635 PolarHBondContact O-N 3.16Å; A630-Y635 VanDerWaalsContact CA-O 3.28Å; A630-Y635 WeakPolarHBondContact CA-O 3.2Å; A630-Y635 VanDerWaalsContact CB-O 3.25Å; A630-Y635 WeakPolarHBondContact CB-O 3.28Å; Y633-Y635 VanDerWaalsContact C-N 3.32Å; Y633-Y635 PolarHBondContact O-N 3.1Å; Y635-V637 PolarHBondContact O-N 3.38Å; Y635-A640 HydrophobicContact CD1-CB 4.41Å; Y635-I655 HydrophobicContact CE1-CD1 3.54Å; Y635-I655 WeakPolarHBondContact OH-CD1 3.34Å | ||
| 636 | D | 94.4 | Very high | 94.6 | Very high | 75 Ų | 75 | 54.9 Ų | 54.9 | 40% | 0.401 | 27% | 0.271 | S | S | . | . | trans | -62.5 | 127.7 | 160.8 | 176.6 | -90.7 | 0 | 0 | 0 | 109.3 | N638 E639 A640 | D636-N638 PolarHBondContact O-N 2.97Å; D636-N638 VanDerWaalsContact OD1-CA 3.29Å; D636-N638 WeakPolarHBondContact OD1-CA 3.24Å; D636-N638 WeakPolarHBondContact OD1-CB 3.47Å; D636-N638 PolarHBondContact OD1-N 2.98Å; D636-E639 HydrophobicContact CB-CB 4.09Å; D636-E639 HydrophobicContact CB-CG 4Å; D636-E639 PolarHBondContact O-N 2.67Å; D636-E639 PolarHBondContact OD1-N 3.3Å; D636-A640 WeakPolarHBondContact O-CB 3.36Å; D636-A640 PolarHBondContact O-N 2.85Å | ||
| 637 | V | 93.1 | Very high | 94.6 | Very high | 45 Ų | 45 | 54.9 Ų | 54.9 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.2 | -26.8 | -174.4 | 69.9 | 0 | 0 | 0 | 0 | 112.8 | A630 Y635 R641 | A630-V637 HydrophobicContact CB-CB 4.18Å; Y635-V637 PolarHBondContact O-N 3.38Å; V637-R641 WeakPolarHBondContact O-CD 3.37Å; V637-R641 WeakPolarHBondContact O-CG 3.41Å; V637-R641 PolarHBondContact O-N 3.35Å |
| 638 | N | 92.6 | Very high | 94.5 | Very high | 90 Ų | 90 | 48.5 Ų | 48.5 | 48% | 0.481 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -80.4 | -41.1 | 178.6 | -53.7 | -66.5 | 0 | 0 | 0 | 110.7 | D636 R641 K642 | D636-N638 PolarHBondContact O-N 2.97Å; D636-N638 VanDerWaalsContact OD1-CA 3.29Å; D636-N638 WeakPolarHBondContact OD1-CA 3.24Å; D636-N638 WeakPolarHBondContact OD1-CB 3.47Å; D636-N638 PolarHBondContact OD1-N 2.98Å; N638-R641 PolarHBondContact O-N 2.88Å; N638-K642 WeakPolarHBondContact O-CG 3.21Å; N638-K642 PolarHBondContact O-N 2.7Å |
| 639 | E | 93.7 | Very high | 94.1 | Very high | 63 Ų | 63 | 51.3 Ų | 51.3 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 172.1 | -67.7 | -179 | 177.1 | 0 | 0 | 111.3 | D636 R641 K642 I643 V657 R695 | D636-E639 HydrophobicContact CB-CB 4.09Å; D636-E639 HydrophobicContact CB-CG 4Å; D636-E639 PolarHBondContact O-N 2.67Å; D636-E639 PolarHBondContact OD1-N 3.3Å; E639-R641 PolarHBondContact O-N 3.04Å; E639-K642 CarbonylContact O-C 3.57Å; E639-K642 WeakPolarHBondContact O-CA 3.4Å; E639-K642 WeakPolarHBondContact O-CB 3.38Å; E639-K642 PolarHBondContact O-N 2.83Å; E639-I643 PolarHBondContact O-N 3.23Å; E639-V657 HydrophobicContact CB-CG1 4.05Å; E639-V657 VanDerWaalsContact O-CG1 3.3Å; E639-V657 WeakPolarHBondContact O-CG1 3.15Å; E639-R695 IonicContact OE2-CZ 2.7Å; E639-R695 IonicContact OE2-NH1 2.79Å; E639-R695 IonicContact OE2-NH2 3.71Å; E639-R695 PolarHBondContact OE2-NH2 2.93Å |
| 640 | A | 93.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.4 | -33.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L629 Y635 D636 K642 I643 | L629-A640 HydrophobicContact CB-CB 4.11Å; L629-A640 HydrophobicContact CD1-CB 4.11Å; Y635-A640 HydrophobicContact CD1-CB 4.41Å; D636-A640 WeakPolarHBondContact O-CB 3.36Å; D636-A640 PolarHBondContact O-N 2.85Å; A640-K642 VanDerWaalsContact C-N 3.29Å; A640-I643 WeakPolarHBondContact O-CD1 3.49Å; A640-I643 WeakPolarHBondContact O-CG1 3.45Å |
| 641 | R | 94.3 | Very high | 93.4 | Very high | 94 Ų | 94 | 54.6 Ų | 54.6 | 36% | 0.355 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -75.8 | -16.4 | 174.4 | -72.1 | 170.7 | -176.5 | 172.3 | 7.2 | 113.6 | V622 V637 N638 E639 | V622-R641 HydrophobicContact CG1-CB 3.98Å; V622-R641 HydrophobicContact CG1-CG 4.19Å; V622-R641 VanDerWaalsContact CG1-O 3.28Å; V622-R641 WeakPolarHBondContact CG1-O 3.48Å; V637-R641 WeakPolarHBondContact O-CD 3.37Å; V637-R641 WeakPolarHBondContact O-CG 3.41Å; V637-R641 PolarHBondContact O-N 3.35Å; N638-R641 PolarHBondContact O-N 2.88Å; E639-R641 PolarHBondContact O-N 3.04Å |
| 642 | K | 95.1 | Very high | 93.2 | Very high | 87 Ų | 87 | 47.5 Ų | 47.5 | 38% | 0.378 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 17.3 | 178.4 | -69.5 | -175.8 | 178.7 | -169.3 | 0 | 113.2 | N638 E639 A640 W644 D658 T660 | N638-K642 WeakPolarHBondContact O-CG 3.21Å; N638-K642 PolarHBondContact O-N 2.7Å; E639-K642 CarbonylContact O-C 3.57Å; E639-K642 WeakPolarHBondContact O-CA 3.4Å; E639-K642 WeakPolarHBondContact O-CB 3.38Å; E639-K642 PolarHBondContact O-N 2.83Å; A640-K642 VanDerWaalsContact C-N 3.29Å; K642-W644 VanDerWaalsContact O-CD1 3.29Å; K642-W644 PolarHBondContact O-N 3.36Å; K642-D658 HydrophobicContact CB-CB 4.26Å; K642-D658 WeakPolarHBondContact CB-O 3.5Å; K642-D658 WeakPolarHBondContact CD-O 3.41Å; K642-D658 PolarHBondContact O-N 3.24Å; K642-D658 VanDerWaalsContact O-N 3.1Å; K642-T660 PolarHBondContact NZ-O 3.32Å |
| 643 | I | 96.3 | Very high | 93.2 | Very high | 14 Ų | 14 | 41.2 Ų | 41.2 | 7% | 0.072 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 117.9 | 167.3 | -67.6 | 167.9 | 0 | 0 | 0 | 108.8 | L629 E639 A640 F646 I655 L656 V657 | L629-I643 HydrophobicContact CD1-CD1 3.47Å; L629-I643 VanDerWaalsContact CD1-CD1 3.47Å; E639-I643 PolarHBondContact O-N 3.23Å; A640-I643 WeakPolarHBondContact O-CD1 3.49Å; A640-I643 WeakPolarHBondContact O-CG1 3.45Å; I643-F646 HydrophobicContact CG2-CD2 4.32Å; I643-F646 HydrophobicContact CG2-CE2 3.98Å; I643-F646 HydrophobicContact CG2-CZ 4.47Å; I643-I655 HydrophobicContact CD1-CD1 4.41Å; I643-I655 HydrophobicContact CG2-CB 4.47Å; I643-L656 CarbonylContact C-O 3.49Å; I643-L656 WeakPolarHBondContact CA-O 3.35Å; I643-V657 HydrophobicContact CG1-CG2 4.08Å |
| 644 | W | 96.1 | Very high | 93.3 | Very high | 27 Ų | 27 | 40.1 Ų | 40.1 | 10% | 0.102 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | -41.9 | -179.3 | -82.4 | 16.6 | 0 | 0 | 0 | 112.7 | K642 L656 D658 L666 K670 V673 V674 I698 | K642-W644 VanDerWaalsContact O-CD1 3.29Å; K642-W644 PolarHBondContact O-N 3.36Å; W644-L656 HydrophobicContact CB-CD2 4.3Å; W644-L656 HydrophobicContact CB-CG 4.46Å; W644-L656 HydrophobicContact CE3-CD2 4.01Å; W644-L656 PolarHBondContact N-O 2.87Å; W644-D658 HydrophobicContact CD2-CB 4.47Å; W644-D658 HydrophobicContact CZ2-CB 4.03Å; W644-L666 HydrophobicContact CH2-CD1 3.84Å; W644-L666 HydrophobicContact CH2-CD2 4.37Å; W644-L666 HydrophobicContact CH2-CG 3.82Å; W644-L666 HydrophobicContact CZ2-CD1 4.18Å; W644-L666 HydrophobicContact CZ2-CD2 3.86Å; W644-L666 HydrophobicContact CZ2-CG 3.72Å; W644-K670 HydrophobicContact CD2-CD 4.15Å; W644-K670 HydrophobicContact CD2-CG 3.81Å; W644-K670 HydrophobicContact CE3-CB 4.28Å; W644-K670 HydrophobicContact CE3-CG 3.75Å; W644-K670 HydrophobicContact CG-CD 4.33Å; W644-K670 HydrophobicContact CG-CG 4.34Å; W644-K670 HydrophobicContact CH2-CB 4.13Å; W644-K670 HydrophobicContact CH2-CG 4.39Å; W644-K670 HydrophobicContact CZ2-CB 4.44Å; W644-K670 HydrophobicContact CZ2-CG 4.45Å; W644-K670 HydrophobicContact CZ3-CB 4.06Å; W644-K670 HydrophobicContact CZ3-CG 4.06Å; W644-V673 HydrophobicContact CE3-CB 4.38Å; W644-V673 HydrophobicContact CE3-CG1 4.41Å; W644-V673 HydrophobicContact CZ3-CB 3.87Å; W644-V673 HydrophobicContact CZ3-CG1 4.11Å; W644-V673 HydrophobicContact CZ3-CG2 4.15Å; W644-V674 HydrophobicContact CB-CG2 4.37Å; W644-V674 HydrophobicContact CE3-CG2 4.48Å; W644-I698 HydrophobicContact CD2-CD1 4.33Å; W644-I698 HydrophobicContact CE3-CD1 3.78Å; W644-I698 HydrophobicContact CH2-CD1 3.95Å; W644-I698 HydrophobicContact CZ2-CD1 4.46Å; W644-I698 HydrophobicContact CZ3-CD1 3.57Å |
| 645 | C | 95.7 | Very high | 93.5 | Very high | 17 Ų | 17 | 37 Ų | 37 | 12% | 0.115 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 166 | -179.9 | 58.6 | 0 | 0 | 0 | 0 | 111.3 | L656 V674 F677 | C645-L656 PolarHBondContact O-N 3.26Å; C645-L656 VanDerWaalsContact O-N 3.13Å; C645-V674 HydrophobicContact CB-CG1 3.97Å; C645-V674 HydrophobicContact CB-CG2 4.18Å; C645-F677 WeakPolarHBondContact SG-CD1 3.47Å; C645-F677 VanDerWaalsContact SG-CE1 3.56Å |
| 646 | F | 96.7 | Very high | 93.8 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 1% | 0.013 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 158.2 | 165.6 | -68.5 | -106.4 | 0 | 0 | 0 | 109.3 | I611 V616 P618 R625 I643 G650 G652 N654 I655 Q678 | I611-F646 HydrophobicContact CD1-CD1 4.08Å; I611-F646 HydrophobicContact CD1-CE1 3.72Å; I611-F646 HydrophobicContact CG1-CD1 4.48Å; I611-F646 HydrophobicContact CG1-CE1 4.03Å; I611-F646 HydrophobicContact CG2-CD1 4.21Å; I611-F646 HydrophobicContact CG2-CE1 4.5Å; V616-F646 HydrophobicContact CG1-CE1 4.2Å; V616-F646 HydrophobicContact CG1-CZ 4.06Å; P618-F646 HydrophobicContact CB-CD2 3.8Å; P618-F646 HydrophobicContact CB-CE2 4.27Å; P618-F646 HydrophobicContact CG-CB 3.94Å; P618-F646 HydrophobicContact CG-CD2 3.57Å; P618-F646 HydrophobicContact CG-CE2 4.23Å; P618-F646 HydrophobicContact CG-CG 3.87Å; R625-F646 VanDerWaalsContact NH1-CZ 3.33Å; I643-F646 HydrophobicContact CG2-CD2 4.32Å; I643-F646 HydrophobicContact CG2-CE2 3.98Å; I643-F646 HydrophobicContact CG2-CZ 4.47Å; F646-G650 CarbonylContact O-C 3.47Å; F646-G650 WeakPolarHBondContact O-CA 3.41Å; F646-G652 WeakPolarHBondContact CB-O 3.42Å; F646-N654 CarbonylContact C-O 3.58Å; F646-N654 WeakPolarHBondContact CA-O 3.47Å; F646-I655 HydrophobicContact CD1-CG2 3.56Å; F646-I655 HydrophobicContact CE1-CG2 3.49Å; F646-I655 VanDerWaalsContact CE1-CG2 3.49Å; F646-I655 HydrophobicContact CG-CG2 4.24Å; F646-I655 HydrophobicContact CZ-CG2 4.13Å; F646-Q678 PolarHBondContact O-NE2 2.83Å |
| 647 | G | 94.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 159 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G652 N654 | G647-G652 VanDerWaalsContact C-CA 3.49Å; G647-G652 PolarHBondContact N-O 2.8Å; G647-G652 CarbonylContact O-C 3.45Å; G647-G652 WeakPolarHBondContact O-CA 3.4Å; G647-G652 VanDerWaalsContact O-O 3.06Å; G647-N654 PolarHBondContact N-O 2.55Å; G647-N654 VanDerWaalsContact O-CB 3.29Å; G647-N654 WeakPolarHBondContact O-CB 3.2Å; G647-N654 PolarHBondContact O-N 2.9Å; G647-N654 VanDerWaalsContact O-N 3.15Å; G647-N654 PolarHBondContact O-ND2 3.08Å |
| 648 | P | 92.1 | Very high | 94.1 | Very high | 9 Ų | 9 | 31.5 Ų | 31.5 | 6% | 0.058 | 17% | 0.17 | C | C | . | . | S | Bend | cis | -72.1 | 175.3 | -3.1 | 30.2 | -35.5 | 0 | 0 | 0 | 113.4 | G650 S651 G652 Q678 T681 K682 N690 | P648-G650 PolarHBondContact O-N 3.18Å; P648-S651 PolarHBondContact O-N 2.93Å; P648-G652 PolarHBondContact O-N 2.85Å; P648-Q678 VanDerWaalsContact C-OE1 3.23Å; P648-T681 WeakPolarHBondContact CA-OG1 3.37Å; P648-K682 HydrophobicContact CB-CB 3.88Å; P648-N690 HydrophobicContact CG-CB 4.37Å |
| 649 | D | 86.1 | Confident | 94.3 | Very high | 115 Ų | 115 | 28.2 Ų | 28.2 | 62% | 0.615 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 23.7 | 176.2 | -54.7 | -48.5 | 0 | 0 | 0 | 115.4 | S651 | D649-S651 VanDerWaalsContact C-N 3.25Å; D649-S651 PolarHBondContact O-N 2.86Å |
| 650 | G | 87.3 | Confident | 94.4 | Very high | 30 Ų | 30 | 25.5 Ų | 25.5 | 31% | 0.309 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | -7.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | P618 F646 P648 | P618-G650 WeakPolarHBondContact CG-O 3.3Å; F646-G650 CarbonylContact O-C 3.47Å; F646-G650 WeakPolarHBondContact O-CA 3.41Å; P648-G650 PolarHBondContact O-N 3.18Å |
| 651 | S | 87.8 | Confident | 94.3 | Very high | 71 Ų | 71 | 34.8 Ų | 34.8 | 50% | 0.497 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -135.8 | 0.2 | -179 | 65.6 | 0 | 0 | 0 | 0 | 115 | P648 D649 | P648-S651 PolarHBondContact O-N 2.93Å; D649-S651 VanDerWaalsContact C-N 3.25Å; D649-S651 PolarHBondContact O-N 2.86Å |
| 652 | G | 90.5 | Very high | 94.1 | Very high | 11 Ų | 11 | 34.3 Ų | 34.3 | 11% | 0.113 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -69.7 | 162.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F646 G647 P648 N654 | F646-G652 WeakPolarHBondContact CB-O 3.42Å; G647-G652 VanDerWaalsContact C-CA 3.49Å; G647-G652 PolarHBondContact N-O 2.8Å; G647-G652 CarbonylContact O-C 3.45Å; G647-G652 WeakPolarHBondContact O-CA 3.4Å; G647-G652 VanDerWaalsContact O-O 3.06Å; P648-G652 PolarHBondContact O-N 2.85Å; G652-N654 PolarHBondContact O-N 2.87Å |
| 653 | P | 95.2 | Very high | 93.9 | Very high | 10 Ų | 10 | 31.7 Ų | 31.7 | 7% | 0.065 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -78.7 | 51.5 | -174.4 | 35.6 | -40.8 | 0 | 0 | 0 | 113.1 | M603 A608 I611 D612 R692 G693 | M603-P653 VanDerWaalsContact SD-O 3.4Å; A608-P653 HydrophobicContact CB-CB 4.02Å; I611-P653 HydrophobicContact CB-CB 4.19Å; I611-P653 HydrophobicContact CG2-CB 4.12Å; D612-P653 WeakPolarHBondContact OD1-CG 3.02Å; P653-R692 HydrophobicContact CB-CG 4.36Å; P653-R692 HydrophobicContact CG-CB 4.13Å; P653-R692 HydrophobicContact CG-CG 3.63Å; P653-G693 WeakPolarHBondContact O-CA 3.12Å; P653-G693 PolarHBondContact O-N 2.8Å |
| 654 | N | 98.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 148.3 | 168.6 | -53.7 | -79.8 | 0 | 0 | 0 | 108 | F646 G647 G652 F677 T681 M691 R692 G693 V694 | F646-N654 CarbonylContact C-O 3.58Å; F646-N654 WeakPolarHBondContact CA-O 3.47Å; G647-N654 PolarHBondContact N-O 2.55Å; G647-N654 VanDerWaalsContact O-CB 3.29Å; G647-N654 WeakPolarHBondContact O-CB 3.2Å; G647-N654 PolarHBondContact O-N 2.9Å; G647-N654 VanDerWaalsContact O-N 3.15Å; G647-N654 PolarHBondContact O-ND2 3.08Å; G652-N654 PolarHBondContact O-N 2.87Å; N654-F677 HydrophobicContact CB-CZ 4.03Å; N654-T681 HydrophobicContact CB-CG2 3.93Å; N654-M691 VanDerWaalsContact ND2-C 3.29Å; N654-M691 PolarHBondContact ND2-O 2.83Å; N654-R692 VanDerWaalsContact OD1-C 3.28Å; N654-R692 VanDerWaalsContact OD1-CA 3.3Å; N654-R692 WeakPolarHBondContact OD1-CA 3.42Å; N654-R692 PolarHBondContact OD1-N 3.38Å; N654-G693 PolarHBondContact OD1-N 2.89Å; N654-V694 CarbonylContact C-O 3.55Å; N654-V694 VanDerWaalsContact CA-O 3.23Å; N654-V694 WeakPolarHBondContact CA-O 3.2Å; N654-V694 WeakPolarHBondContact CB-O 3.46Å; N654-V694 WeakPolarHBondContact OD1-CB 3.39Å; N654-V694 PolarHBondContact OD1-N 2.91Å |
| 655 | I | 97.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 142.1 | -176.4 | 58.6 | 173.2 | 0 | 0 | 0 | 111.8 | M603 Y635 I643 F646 V657 V694 R695 F696 | M603-I655 HydrophobicContact CE-CD1 4.47Å; M603-I655 HydrophobicContact CE-CG1 4.47Å; M603-I655 HydrophobicContact CE-CG2 4.34Å; M603-I655 HydrophobicContact SD-CG1 4.37Å; Y635-I655 HydrophobicContact CE1-CD1 3.54Å; Y635-I655 WeakPolarHBondContact OH-CD1 3.34Å; I643-I655 HydrophobicContact CD1-CD1 4.41Å; I643-I655 HydrophobicContact CG2-CB 4.47Å; F646-I655 HydrophobicContact CD1-CG2 3.56Å; F646-I655 HydrophobicContact CE1-CG2 3.49Å; F646-I655 VanDerWaalsContact CE1-CG2 3.49Å; F646-I655 HydrophobicContact CG-CG2 4.24Å; F646-I655 HydrophobicContact CZ-CG2 4.13Å; I655-V657 HydrophobicContact CD1-CG2 4.03Å; I655-V657 HydrophobicContact CG1-CG2 4.26Å; I655-V694 PolarHBondContact N-O 3.39Å; I655-R695 HydrophobicContact CD1-CB 3.99Å; I655-R695 HydrophobicContact CD1-CG 3.88Å; I655-R695 HydrophobicContact CG1-CB 3.7Å; I655-R695 HydrophobicContact CG1-CG 3.86Å; I655-F696 PolarHBondContact O-N 2.79Å |
| 656 | L | 98.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 123.4 | 169 | -178.7 | 67.3 | 0 | 0 | 0 | 109.3 | M598 I643 W644 C645 V673 F677 F696 I698 | M598-L656 HydrophobicContact CE-CD1 4.35Å; M598-L656 HydrophobicContact SD-CD1 4.37Å; I643-L656 CarbonylContact C-O 3.49Å; I643-L656 WeakPolarHBondContact CA-O 3.35Å; W644-L656 HydrophobicContact CB-CD2 4.3Å; W644-L656 HydrophobicContact CB-CG 4.46Å; W644-L656 HydrophobicContact CE3-CD2 4.01Å; W644-L656 PolarHBondContact N-O 2.87Å; C645-L656 PolarHBondContact O-N 3.26Å; C645-L656 VanDerWaalsContact O-N 3.13Å; L656-V673 HydrophobicContact CD2-CG1 3.75Å; L656-F677 HydrophobicContact CB-CD1 4.37Å; L656-F677 HydrophobicContact CB-CD2 3.88Å; L656-F677 HydrophobicContact CB-CE1 4.36Å; L656-F677 HydrophobicContact CB-CE2 3.9Å; L656-F677 HydrophobicContact CB-CG 4.11Å; L656-F677 HydrophobicContact CB-CZ 4.14Å; L656-F677 HydrophobicContact CD1-CD2 4.34Å; L656-F677 HydrophobicContact CD2-CB 4.07Å; L656-F677 HydrophobicContact CD2-CD2 4.48Å; L656-F677 HydrophobicContact CD2-CG 4.22Å; L656-F677 HydrophobicContact CG-CD2 4.46Å; L656-F696 WeakPolarHBondContact CA-O 3.36Å; L656-F696 HydrophobicContact CD1-CB 3.83Å; L656-I698 HydrophobicContact CD1-CD1 4.04Å; L656-I698 HydrophobicContact CD1-CG1 3.81Å; L656-I698 HydrophobicContact CD2-CD1 4.27Å; L656-I698 HydrophobicContact CG-CD1 4.19Å; L656-I698 HydrophobicContact CG-CG1 4.4Å |
| 657 | V | 97.6 | Very high | 93 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 132.2 | -174.6 | -165.9 | 0 | 0 | 0 | 0 | 110.4 | E639 I643 I655 C659 R695 F696 D697 I698 | E639-V657 HydrophobicContact CB-CG1 4.05Å; E639-V657 VanDerWaalsContact O-CG1 3.3Å; E639-V657 WeakPolarHBondContact O-CG1 3.15Å; I643-V657 HydrophobicContact CG1-CG2 4.08Å; I655-V657 HydrophobicContact CD1-CG2 4.03Å; I655-V657 HydrophobicContact CG1-CG2 4.26Å; V657-C659 PolarHBondContact O-N 2.89Å; V657-R695 HydrophobicContact CG2-CG 4.18Å; V657-F696 PolarHBondContact N-O 3.47Å; V657-D697 WeakPolarHBondContact CB-OD1 3.5Å; V657-I698 PolarHBondContact O-N 2.97Å |
| 658 | D | 97.1 | Very high | 93 | Very high | 18 Ų | 18 | 51.5 Ų | 51.5 | 10% | 0.096 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 104.3 | 169 | 165.4 | 31.6 | 0 | 0 | 0 | 110.9 | K642 W644 T660 | K642-D658 HydrophobicContact CB-CB 4.26Å; K642-D658 WeakPolarHBondContact CB-O 3.5Å; K642-D658 WeakPolarHBondContact CD-O 3.41Å; K642-D658 PolarHBondContact O-N 3.24Å; K642-D658 VanDerWaalsContact O-N 3.1Å; W644-D658 HydrophobicContact CD2-CB 4.47Å; W644-D658 HydrophobicContact CZ2-CB 4.03Å; D658-T660 VanDerWaalsContact OD1-CB 3.26Å; D658-T660 WeakPolarHBondContact OD1-CB 3.48Å; D658-T660 WeakPolarHBondContact OD1-CG2 3.45Å; D658-T660 PolarHBondContact OD1-N 3.13Å; D658-T660 PolarHBondContact OD1-OG1 2.89Å |
| 659 | C | 96.6 | Very high | 93.1 | Very high | 21 Ų | 21 | 51.1 Ų | 51.1 | 14% | 0.142 | 29% | 0.288 | C | S | . | . | trans | -100.3 | 8.7 | 175.5 | -61.3 | 0 | 0 | 0 | 0 | 112.3 | V657 D697 I698 | V657-C659 PolarHBondContact O-N 2.89Å; C659-D697 HydrophobicContact CB-CB 4.48Å; C659-D697 PolarHBondContact SG-OD1 2.82Å; C659-D697 VanDerWaalsContact SG-OD1 3.38Å; C659-I698 CarbonylContact C-O 3.58Å; C659-I698 VanDerWaalsContact C-O 3.32Å; C659-I698 VanDerWaalsContact CA-O 3.31Å; C659-I698 WeakPolarHBondContact CA-O 3.2Å; C659-I698 WeakPolarHBondContact CB-O 3.19Å; C659-I698 PolarHBondContact N-O 2.89Å | ||
| 660 | T | 95.5 | Very high | 93.6 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | trans | -74.1 | 160.7 | -176.8 | 74.8 | 0 | 0 | 0 | 0 | 112.2 | K642 D658 V663 L666 I698 V701 | K642-T660 PolarHBondContact NZ-O 3.32Å; D658-T660 VanDerWaalsContact OD1-CB 3.26Å; D658-T660 WeakPolarHBondContact OD1-CB 3.48Å; D658-T660 WeakPolarHBondContact OD1-CG2 3.45Å; D658-T660 PolarHBondContact OD1-N 3.13Å; D658-T660 PolarHBondContact OD1-OG1 2.89Å; T660-V663 HydrophobicContact CG2-CG2 4.26Å; T660-L666 HydrophobicContact CG2-CD2 4.42Å; T660-L666 VanDerWaalsContact OG1-CD2 3.23Å; T660-L666 WeakPolarHBondContact OG1-CD2 3.37Å; T660-I698 HydrophobicContact CG2-CB 4.23Å; T660-I698 HydrophobicContact CG2-CG2 3.71Å; T660-I698 VanDerWaalsContact CG2-O 3.31Å; T660-I698 WeakPolarHBondContact CG2-O 3.38Å; T660-I698 PolarHBondContact N-O 2.82Å; T660-V701 HydrophobicContact CG2-CG2 4.35Å | ||
| 661 | K | 92.4 | Very high | 94 | Very high | 195 Ų | 195 | 53.6 Ų | 53.6 | 85% | 0.848 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -131.4 | 119 | 176.3 | -64.5 | -179.8 | -176.7 | 174.6 | 0 | 110.5 | V663 | K661-V663 PolarHBondContact O-N 3Š|
| 662 | G | 89.7 | Confident | 94.4 | Very high | 84 Ų | 84 | 51.2 Ų | 51.2 | 87% | 0.866 | 27% | 0.274 | S | S | * | . | S | Bend | trans | 72.2 | 20.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q664 | G662-Q664 PolarHBondContact O-N 2.98Š|
| 663 | V | 91.4 | Very high | 94.8 | Very high | 31 Ų | 31 | 50.7 Ų | 50.7 | 19% | 0.188 | 27% | 0.269 | C | S | . | . | trans | -76.8 | 120.6 | 179 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | T660 K661 L666 V701 | T660-V663 HydrophobicContact CG2-CG2 4.26Å; K661-V663 PolarHBondContact O-N 3Å; V663-L666 HydrophobicContact CB-CB 4.24Å; V663-L666 HydrophobicContact CB-CD2 4.49Å; V663-L666 HydrophobicContact CG1-CB 4.01Å; V663-L666 HydrophobicContact CG1-CD1 4.16Å; V663-V701 HydrophobicContact CG1-CB 4.09Å | ||
| 664 | Q | 91 | Very high | 94.9 | Very high | 135 Ų | 135 | 51.6 Ų | 51.6 | 63% | 0.631 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 146.4 | 174.5 | -63.2 | -176.5 | 2.3 | 0 | 0 | 110.9 | G662 L666 | G662-Q664 PolarHBondContact O-N 2.98Å; Q664-L666 PolarHBondContact O-N 2.89Å; Q664-L666 VanDerWaalsContact O-N 3.12Å |
| 665 | Y | 90.5 | Very high | 94.8 | Very high | 93 Ų | 93 | 53.6 Ų | 53.6 | 37% | 0.365 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 8.4 | 176.4 | -39.1 | -72.8 | 0 | 0 | 0 | 116 | N667 E668 | Y665-N667 VanDerWaalsContact C-N 3.28Å; Y665-N667 PolarHBondContact O-N 2.83Å; Y665-E668 WeakPolarHBondContact CD1-OE1 3.43Å; Y665-E668 WeakPolarHBondContact O-CB 3.43Å; Y665-E668 PolarHBondContact O-N 3.32Å |
| 666 | L | 93.3 | Very high | 94.8 | Very high | 13 Ų | 13 | 53.4 Ų | 53.4 | 7% | 0.068 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.5 | -40 | -177.4 | -173.8 | 68.2 | 0 | 0 | 0 | 113.1 | W644 T660 V663 Q664 E668 I669 K670 V701 | W644-L666 HydrophobicContact CH2-CD1 3.84Å; W644-L666 HydrophobicContact CH2-CD2 4.37Å; W644-L666 HydrophobicContact CH2-CG 3.82Å; W644-L666 HydrophobicContact CZ2-CD1 4.18Å; W644-L666 HydrophobicContact CZ2-CD2 3.86Å; W644-L666 HydrophobicContact CZ2-CG 3.72Å; T660-L666 HydrophobicContact CG2-CD2 4.42Å; T660-L666 VanDerWaalsContact OG1-CD2 3.23Å; T660-L666 WeakPolarHBondContact OG1-CD2 3.37Å; V663-L666 HydrophobicContact CB-CB 4.24Å; V663-L666 HydrophobicContact CB-CD2 4.49Å; V663-L666 HydrophobicContact CG1-CB 4.01Å; V663-L666 HydrophobicContact CG1-CD1 4.16Å; Q664-L666 PolarHBondContact O-N 2.89Å; Q664-L666 VanDerWaalsContact O-N 3.12Å; L666-E668 PolarHBondContact O-N 3.29Å; L666-I669 HydrophobicContact CD1-CD1 4.12Å; L666-I669 HydrophobicContact CD1-CG1 4.31Å; L666-I669 WeakPolarHBondContact O-CG1 3.34Å; L666-I669 PolarHBondContact O-N 3.02Å; L666-K670 PolarHBondContact O-N 2.78Å; L666-V701 HydrophobicContact CD1-CB 4.26Å; L666-V701 HydrophobicContact CD1-CG2 3.7Å |
| 667 | N | 91.9 | Very high | 94.8 | Very high | 131 Ų | 131 | 53.4 Ų | 53.4 | 70% | 0.701 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.7 | -26.3 | 178.9 | -73.8 | -34.6 | 0 | 0 | 0 | 113.2 | Y665 I669 K670 | Y665-N667 VanDerWaalsContact C-N 3.28Å; Y665-N667 PolarHBondContact O-N 2.83Å; N667-I669 VanDerWaalsContact C-N 3.31Å; N667-I669 PolarHBondContact O-N 2.86Å; N667-K670 WeakPolarHBondContact O-CB 3.46Å; N667-K670 PolarHBondContact O-N 2.87Å |
| 668 | E | 92.2 | Very high | 94.8 | Very high | 105 Ų | 105 | 55.3 Ų | 55.3 | 49% | 0.491 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -73.1 | -25.5 | -179.6 | -61.1 | -175.6 | -145.1 | 0 | 0 | 112.8 | Y665 L666 R710 | Y665-E668 WeakPolarHBondContact CD1-OE1 3.43Å; Y665-E668 WeakPolarHBondContact O-CB 3.43Å; Y665-E668 PolarHBondContact O-N 3.32Å; L666-E668 PolarHBondContact O-N 3.29Å; E668-R710 IonicContact OE1-CZ 2.62Å; E668-R710 IonicContact OE1-NH2 3.37Å; E668-R710 PolarHBondContact OE1-NH2 2.79Å; E668-R710 IonicContact OE2-CZ 3.29Å; E668-R710 VanDerWaalsContact OE2-CZ 3.29Å; E668-R710 IonicContact OE2-NE 2.79Å; E668-R710 PolarHBondContact OE2-NE 3.35Å; E668-R710 IonicContact OE2-NH2 3.99Å; E668-R710 PolarHBondContact OE2-NH2 3.5Å |
| 669 | I | 95.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -92.5 | -10.6 | 178.4 | 67.6 | 153.4 | 0 | 0 | 0 | 112.6 | L666 N667 D671 S672 V673 V701 L703 R710 I715 | L666-I669 HydrophobicContact CD1-CD1 4.12Å; L666-I669 HydrophobicContact CD1-CG1 4.31Å; L666-I669 WeakPolarHBondContact O-CG1 3.34Å; L666-I669 PolarHBondContact O-N 3.02Å; N667-I669 VanDerWaalsContact C-N 3.31Å; N667-I669 PolarHBondContact O-N 2.86Å; I669-D671 PolarHBondContact O-N 3.08Å; I669-S672 WeakPolarHBondContact O-CB 3.4Å; I669-S672 PolarHBondContact O-N 2.76Å; I669-V673 HydrophobicContact CB-CG2 4.43Å; I669-V673 HydrophobicContact CD1-CG2 3.72Å; I669-V673 HydrophobicContact CG1-CG2 4.18Å; I669-V673 WeakPolarHBondContact O-CG2 3.44Å; I669-V673 PolarHBondContact O-N 3.13Å; I669-V701 HydrophobicContact CD1-CG1 3.95Å; I669-L703 HydrophobicContact CD1-CD1 4.18Å; I669-L703 HydrophobicContact CD1-CD2 4.17Å; I669-L703 HydrophobicContact CG1-CD1 4.17Å; I669-L703 HydrophobicContact CG2-CD1 3.94Å; I669-L703 HydrophobicContact CG2-CD2 3.9Å; I669-R710 HydrophobicContact CG2-CB 4.22Å; I669-I715 HydrophobicContact CB-CG1 4.26Å; I669-I715 HydrophobicContact CB-CG2 4.11Å; I669-I715 HydrophobicContact CG2-CD1 3.96Å; I669-I715 HydrophobicContact CG2-CG1 3.91Å |
| 670 | K | 96.1 | Very high | 94.7 | Very high | 69 Ų | 69 | 58.2 Ų | 58.2 | 30% | 0.3 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -50.5 | -54.8 | -171.5 | 178 | 174.5 | 179 | -177.8 | 0 | 112.1 | W644 L666 N667 S672 V673 V674 | W644-K670 HydrophobicContact CD2-CD 4.15Å; W644-K670 HydrophobicContact CD2-CG 3.81Å; W644-K670 HydrophobicContact CE3-CB 4.28Å; W644-K670 HydrophobicContact CE3-CG 3.75Å; W644-K670 HydrophobicContact CG-CD 4.33Å; W644-K670 HydrophobicContact CG-CG 4.34Å; W644-K670 HydrophobicContact CH2-CB 4.13Å; W644-K670 HydrophobicContact CH2-CG 4.39Å; W644-K670 HydrophobicContact CZ2-CB 4.44Å; W644-K670 HydrophobicContact CZ2-CG 4.45Å; W644-K670 HydrophobicContact CZ3-CB 4.06Å; W644-K670 HydrophobicContact CZ3-CG 4.06Å; L666-K670 PolarHBondContact O-N 2.78Å; N667-K670 WeakPolarHBondContact O-CB 3.46Å; N667-K670 PolarHBondContact O-N 2.87Å; K670-S672 PolarHBondContact O-N 3.22Å; K670-V673 PolarHBondContact O-N 3.46Å; K670-V673 VanDerWaalsContact O-N 3.16Å; K670-V674 HydrophobicContact CG-CG2 4.23Å; K670-V674 WeakPolarHBondContact O-CB 3.29Å; K670-V674 VanDerWaalsContact O-CG2 3.25Å; K670-V674 WeakPolarHBondContact O-CG2 3.39Å; K670-V674 PolarHBondContact O-N 3.22Å |
| 671 | D | 95.2 | Very high | 94.8 | Very high | 129 Ų | 129 | 58 Ų | 58 | 69% | 0.69 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62 | -33.7 | -177.1 | -64.9 | -19.5 | 0 | 0 | 0 | 112.4 | I669 A675 | I669-D671 PolarHBondContact O-N 3.08Å; D671-A675 WeakPolarHBondContact O-CB 2.9Å; D671-A675 PolarHBondContact O-N 3.35Å |
| 672 | S | 97.1 | Very high | 94.9 | Very high | 20 Ų | 20 | 53.4 Ų | 53.4 | 14% | 0.14 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -73.5 | -38.8 | 177.1 | -64.4 | 0 | 0 | 0 | 0 | 112.4 | I669 K670 A675 G676 G712 I716 | I669-S672 WeakPolarHBondContact O-CB 3.4Å; I669-S672 PolarHBondContact O-N 2.76Å; K670-S672 PolarHBondContact O-N 3.22Å; S672-A675 PolarHBondContact O-N 3.4Å; S672-G676 PolarHBondContact O-N 2.93Å; S672-G712 WeakPolarHBondContact OG-CA 3.42Å; S672-I716 WeakPolarHBondContact O-CG1 3.28Å |
| 673 | V | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.5 | -42 | 173.5 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | I596 M598 W644 L656 I669 K670 A675 G676 F677 I698 I715 A719 | I596-V673 HydrophobicContact CD1-CG2 4.46Å; M598-V673 HydrophobicContact CE-CG1 3.84Å; W644-V673 HydrophobicContact CE3-CB 4.38Å; W644-V673 HydrophobicContact CE3-CG1 4.41Å; W644-V673 HydrophobicContact CZ3-CB 3.87Å; W644-V673 HydrophobicContact CZ3-CG1 4.11Å; W644-V673 HydrophobicContact CZ3-CG2 4.15Å; L656-V673 HydrophobicContact CD2-CG1 3.75Å; I669-V673 HydrophobicContact CB-CG2 4.43Å; I669-V673 HydrophobicContact CD1-CG2 3.72Å; I669-V673 HydrophobicContact CG1-CG2 4.18Å; I669-V673 WeakPolarHBondContact O-CG2 3.44Å; I669-V673 PolarHBondContact O-N 3.13Å; K670-V673 PolarHBondContact O-N 3.46Å; K670-V673 VanDerWaalsContact O-N 3.16Å; V673-A675 VanDerWaalsContact C-N 3.34Å; V673-A675 PolarHBondContact O-N 3.32Å; V673-G676 PolarHBondContact O-N 3.35Å; V673-F677 WeakPolarHBondContact O-CB 3.44Å; V673-F677 PolarHBondContact O-N 3.05Å; V673-I698 HydrophobicContact CG1-CD1 4.12Å; V673-I715 HydrophobicContact CG2-CG2 3.65Å; V673-A719 HydrophobicContact CB-CB 4.42Å; V673-A719 HydrophobicContact CG1-CB 4.14Å; V673-A719 HydrophobicContact CG2-CB 4.43Å |
| 674 | V | 97.3 | Very high | 95.3 | Very high | 29 Ų | 29 | 49.9 Ų | 49.9 | 18% | 0.176 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.2 | -46.3 | 175 | 169.9 | 0 | 0 | 0 | 0 | 110.2 | W644 C645 K670 G676 F677 Q678 | W644-V674 HydrophobicContact CB-CG2 4.37Å; W644-V674 HydrophobicContact CE3-CG2 4.48Å; C645-V674 HydrophobicContact CB-CG1 3.97Å; C645-V674 HydrophobicContact CB-CG2 4.18Å; K670-V674 HydrophobicContact CG-CG2 4.23Å; K670-V674 WeakPolarHBondContact O-CB 3.29Å; K670-V674 VanDerWaalsContact O-CG2 3.25Å; K670-V674 WeakPolarHBondContact O-CG2 3.39Å; K670-V674 PolarHBondContact O-N 3.22Å; V674-G676 PolarHBondContact O-N 3.32Å; V674-F677 WeakPolarHBondContact O-CB 3.29Å; V674-F677 PolarHBondContact O-N 2.93Å; V674-Q678 HydrophobicContact CG1-CG 4.4Å; V674-Q678 WeakPolarHBondContact O-CG 3.37Å; V674-Q678 PolarHBondContact O-N 2.97Å |
| 675 | A | 96.8 | Very high | 95.6 | Very high | 42 Ų | 42 | 43.7 Ų | 43.7 | 35% | 0.347 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.4 | -45.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D671 S672 V673 F677 Q678 W679 I716 | D671-A675 WeakPolarHBondContact O-CB 2.9Å; D671-A675 PolarHBondContact O-N 3.35Å; S672-A675 PolarHBondContact O-N 3.4Å; V673-A675 VanDerWaalsContact C-N 3.34Å; V673-A675 PolarHBondContact O-N 3.32Å; A675-F677 VanDerWaalsContact C-N 3.29Å; A675-F677 PolarHBondContact O-N 2.76Å; A675-Q678 PolarHBondContact O-N 3.41Å; A675-W679 PolarHBondContact O-N 2.83Å; A675-W679 VanDerWaalsContact O-N 3.08Å; A675-I716 HydrophobicContact CB-CD1 4.23Å; A675-I716 HydrophobicContact CB-CG1 4.18Å |
| 676 | G | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.4 | -36.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S672 V673 V674 W679 A680 | S672-G676 PolarHBondContact O-N 2.93Å; V673-G676 PolarHBondContact O-N 3.35Å; V674-G676 PolarHBondContact O-N 3.32Å; G676-W679 PolarHBondContact O-N 3.25Å; G676-A680 WeakPolarHBondContact O-CB 3.41Å; G676-A680 PolarHBondContact O-N 2.98Å |
| 677 | F | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.1 | -43.3 | 175.7 | 169.8 | -93 | 0 | 0 | 0 | 113.1 | C645 N654 L656 V673 V674 A675 W679 A680 T681 F696 L723 | C645-F677 WeakPolarHBondContact SG-CD1 3.47Å; C645-F677 VanDerWaalsContact SG-CE1 3.56Å; N654-F677 HydrophobicContact CB-CZ 4.03Å; L656-F677 HydrophobicContact CB-CD1 4.37Å; L656-F677 HydrophobicContact CB-CD2 3.88Å; L656-F677 HydrophobicContact CB-CE1 4.36Å; L656-F677 HydrophobicContact CB-CE2 3.9Å; L656-F677 HydrophobicContact CB-CG 4.11Å; L656-F677 HydrophobicContact CB-CZ 4.14Å; L656-F677 HydrophobicContact CD1-CD2 4.34Å; L656-F677 HydrophobicContact CD2-CB 4.07Å; L656-F677 HydrophobicContact CD2-CD2 4.48Å; L656-F677 HydrophobicContact CD2-CG 4.22Å; L656-F677 HydrophobicContact CG-CD2 4.46Å; V673-F677 WeakPolarHBondContact O-CB 3.44Å; V673-F677 PolarHBondContact O-N 3.05Å; V674-F677 WeakPolarHBondContact O-CB 3.29Å; V674-F677 PolarHBondContact O-N 2.93Å; A675-F677 VanDerWaalsContact C-N 3.29Å; A675-F677 PolarHBondContact O-N 2.76Å; F677-W679 PolarHBondContact O-N 3.35Å; F677-A680 PolarHBondContact O-N 3.33Å; F677-T681 HydrophobicContact CD1-CG2 4.48Å; F677-T681 HydrophobicContact CD2-CG2 3.87Å; F677-T681 HydrophobicContact CE1-CG2 4.15Å; F677-T681 HydrophobicContact CE2-CG2 3.46Å; F677-T681 VanDerWaalsContact CE2-CG2 3.46Å; F677-T681 HydrophobicContact CG-CG2 4.38Å; F677-T681 HydrophobicContact CZ-CG2 3.63Å; F677-T681 WeakPolarHBondContact O-CB 3.34Å; F677-T681 WeakPolarHBondContact O-CG2 3.45Å; F677-T681 PolarHBondContact O-N 2.81Å; F677-T681 PolarHBondContact O-OG1 3.4Å; F677-F696 HydrophobicContact CD2-CD2 4.19Å; F677-F696 AromaticContact CE2-CD2 3.65Å; F677-F696 HydrophobicContact CE2-CD2 3.65Å; F677-F696 HydrophobicContact CE2-CE2 4.1Å; F677-F696 HydrophobicContact CE2-CG 4.46Å; F677-L723 HydrophobicContact CB-CD1 3.96Å; F677-L723 HydrophobicContact CD2-CD1 4.34Å; F677-L723 HydrophobicContact CD2-CD2 4.24Å |
| 678 | Q | 97 | Very high | 95.9 | Very high | 39 Ų | 39 | 35.6 Ų | 35.6 | 18% | 0.182 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.1 | -39.8 | 174.1 | -65.9 | -49 | -37.2 | 0 | 0 | 110.9 | F646 P648 V674 A675 T681 K682 | F646-Q678 PolarHBondContact O-NE2 2.83Å; P648-Q678 VanDerWaalsContact C-OE1 3.23Å; V674-Q678 HydrophobicContact CG1-CG 4.4Å; V674-Q678 WeakPolarHBondContact O-CG 3.37Å; V674-Q678 PolarHBondContact O-N 2.97Å; A675-Q678 PolarHBondContact O-N 3.41Å; Q678-T681 PolarHBondContact O-OG1 3.13Å; Q678-K682 WeakPolarHBondContact O-CB 3.45Å; Q678-K682 PolarHBondContact O-N 2.95Å; Q678-K682 VanDerWaalsContact O-N 3.15Å |
| 679 | W | 95.8 | Very high | 95.9 | Very high | 101 Ų | 101 | 30.6 Ų | 30.6 | 38% | 0.383 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -65.5 | -53.9 | 175.5 | -166.2 | -6 | 0 | 0 | 0 | 111.7 | A675 G676 F677 T681 K682 E683 I716 | A675-W679 PolarHBondContact O-N 2.83Å; A675-W679 VanDerWaalsContact O-N 3.08Å; G676-W679 PolarHBondContact O-N 3.25Å; F677-W679 PolarHBondContact O-N 3.35Å; W679-T681 VanDerWaalsContact C-N 3.31Å; W679-T681 PolarHBondContact O-N 2.84Å; W679-K682 PolarHBondContact O-N 3.17Å; W679-K682 VanDerWaalsContact O-N 3.09Å; W679-E683 VanDerWaalsContact NE1-CD 3.28Å; W679-E683 PolarHBondContact NE1-OE1 2.8Å; W679-E683 PolarHBondContact NE1-OE2 2.96Å; W679-E683 PolarHBondContact O-N 3.4Å; W679-I716 HydrophobicContact CE3-CG2 4.27Å |
| 680 | A | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.6 | -37 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | G676 F677 K682 E683 M691 R720 L723 Y724 | G676-A680 WeakPolarHBondContact O-CB 3.41Å; G676-A680 PolarHBondContact O-N 2.98Å; F677-A680 PolarHBondContact O-N 3.33Å; A680-K682 VanDerWaalsContact C-N 3.33Å; A680-E683 CarbonylContact O-C 3.58Å; A680-E683 VanDerWaalsContact O-C 3.25Å; A680-M691 VanDerWaalsContact O-CE 3.31Å; A680-M691 WeakPolarHBondContact O-CE 3.29Å; A680-R720 HydrophobicContact CB-CG 4.38Å; A680-L723 HydrophobicContact CB-CB 4.07Å; A680-L723 HydrophobicContact CB-CD1 3.76Å; A680-Y724 HydrophobicContact CB-CD1 4.24Å; A680-Y724 HydrophobicContact CB-CE1 3.77Å |
| 681 | T | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -77.1 | -20 | 177.7 | 53.1 | 0 | 0 | 0 | 0 | 113.3 | P648 N654 F677 Q678 W679 N690 M691 F696 | P648-T681 WeakPolarHBondContact CA-OG1 3.37Å; N654-T681 HydrophobicContact CB-CG2 3.93Å; F677-T681 HydrophobicContact CD1-CG2 4.48Å; F677-T681 HydrophobicContact CD2-CG2 3.87Å; F677-T681 HydrophobicContact CE1-CG2 4.15Å; F677-T681 HydrophobicContact CE2-CG2 3.46Å; F677-T681 VanDerWaalsContact CE2-CG2 3.46Å; F677-T681 HydrophobicContact CG-CG2 4.38Å; F677-T681 HydrophobicContact CZ-CG2 3.63Å; F677-T681 WeakPolarHBondContact O-CB 3.34Å; F677-T681 WeakPolarHBondContact O-CG2 3.45Å; F677-T681 PolarHBondContact O-N 2.81Å; F677-T681 PolarHBondContact O-OG1 3.4Å; Q678-T681 PolarHBondContact O-OG1 3.13Å; W679-T681 VanDerWaalsContact C-N 3.31Å; W679-T681 PolarHBondContact O-N 2.84Å; T681-N690 CarbonylContact O-C 3.57Å; T681-N690 WeakPolarHBondContact O-CA 3.36Å; T681-M691 HydrophobicContact CG2-CB 4.5Å; T681-M691 HydrophobicContact CG2-SD 4.31Å; T681-M691 PolarHBondContact O-N 2.87Å; T681-F696 HydrophobicContact CG2-CE2 4.3Å |
| 682 | K | 93.8 | Very high | 95.9 | Very high | 99 Ų | 99 | 23.9 Ų | 23.9 | 43% | 0.43 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -82.1 | -38.9 | 172.5 | -174.1 | 172.8 | -178.7 | 170.3 | 0 | 111.7 | P648 Q678 W679 A680 N690 | P648-K682 HydrophobicContact CB-CB 3.88Å; Q678-K682 WeakPolarHBondContact O-CB 3.45Å; Q678-K682 PolarHBondContact O-N 2.95Å; Q678-K682 VanDerWaalsContact O-N 3.15Å; W679-K682 PolarHBondContact O-N 3.17Å; W679-K682 VanDerWaalsContact O-N 3.09Å; A680-K682 VanDerWaalsContact C-N 3.33Å; K682-N690 WeakPolarHBondContact O-CA 3.47Å; K682-N690 PolarHBondContact O-OD1 2.79Å |
| 683 | E | 94.3 | Very high | 96 | Very high | 41 Ų | 41 | 23.4 Ų | 23.4 | 19% | 0.192 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -119.4 | 91.5 | 178.7 | -71.3 | 164.1 | -146.8 | 0 | 0 | 109.4 | W679 A680 E688 R720 Y724 | W679-E683 VanDerWaalsContact NE1-CD 3.28Å; W679-E683 PolarHBondContact NE1-OE1 2.8Å; W679-E683 PolarHBondContact NE1-OE2 2.96Å; W679-E683 PolarHBondContact O-N 3.4Å; A680-E683 CarbonylContact O-C 3.58Å; A680-E683 VanDerWaalsContact O-C 3.25Å; E683-E688 HydrophobicContact CB-CB 4.18Å; E683-E688 HydrophobicContact CB-CG 4.24Å; E683-E688 HydrophobicContact CG-CB 4.36Å; E683-R720 IonicContact OE2-NH2 2.66Å; E683-Y724 VanDerWaalsContact O-CE1 3.27Å; E683-Y724 WeakPolarHBondContact O-CE1 3.11Å; E683-Y724 VanDerWaalsContact O-CZ 3.3Å; E683-Y724 PolarHBondContact O-OH 2.95Å |
| 684 | G | 95.9 | Very high | 96 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | trans | -61.6 | 159.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E575 E688 E689 | E575-G684 VanDerWaalsContact OE1-C 3.25Å; E575-G684 VanDerWaalsContact OE1-CA 3.32Å; E575-G684 WeakPolarHBondContact OE1-CA 3.48Å; E575-G684 VanDerWaalsContact OE2-CA 3.25Å; E575-G684 WeakPolarHBondContact OE2-CA 3.31Å; G684-E688 WeakPolarHBondContact O-CA 3.48Å; G684-E688 PolarHBondContact O-N 3.11Å; G684-E689 WeakPolarHBondContact CA-O 3.48Å; G684-E689 PolarHBondContact N-O 3.41Å | ||
| 685 | V | 96.5 | Very high | 96 | Very high | 5 Ų | 5 | 23 Ų | 23 | 3% | 0.03 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -27.8 | -173.8 | 67.7 | 0 | 0 | 0 | 0 | 112.9 | E575 Y724 V727 L728 P843 Y848 | E575-V685 PolarHBondContact OE2-N 2.95Å; V685-Y724 HydrophobicContact CB-CD1 3.73Å; V685-Y724 HydrophobicContact CB-CD2 4.5Å; V685-Y724 HydrophobicContact CB-CE1 4.21Å; V685-Y724 HydrophobicContact CB-CG 3.89Å; V685-Y724 HydrophobicContact CG2-CD1 4.3Å; V685-Y724 HydrophobicContact CG2-CD2 4.26Å; V685-Y724 HydrophobicContact CG2-CG 3.92Å; V685-V727 HydrophobicContact CG1-CB 4.19Å; V685-V727 HydrophobicContact CG1-CG1 3.7Å; V685-L728 HydrophobicContact CG1-CD2 3.88Å; V685-L728 HydrophobicContact CG1-CG 4.02Å; V685-L728 HydrophobicContact CG2-CD1 3.98Å; V685-L728 HydrophobicContact CG2-CD2 4.17Å; V685-L728 HydrophobicContact CG2-CG 4.04Å; V685-P843 HydrophobicContact CG2-CB 4.41Å; V685-P843 HydrophobicContact CG2-CG 4.41Å; V685-P843 WeakPolarHBondContact O-CD 3.43Å; V685-Y848 HydrophobicContact CG2-CD2 4.5Å; V685-Y848 HydrophobicContact CG2-CE2 3.82Å |
| 686 | L | 96 | Very high | 96.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -51.2 | -175.5 | -63.4 | -175.9 | 0 | 0 | 0 | 111.4 | E575 L728 P732 L734 P818 F819 L829 R833 I842 | E575-L686 VanDerWaalsContact CD-CB 3.5Å; E575-L686 HydrophobicContact CG-CB 4.2Å; E575-L686 HydrophobicContact CG-CD1 4.41Å; E575-L686 PolarHBondContact OE1-N 2.93Å; E575-L686 VanDerWaalsContact OE2-CB 3.29Å; E575-L686 WeakPolarHBondContact OE2-CB 3.48Å; E575-L686 WeakPolarHBondContact OE2-CG 3.48Å; E575-L686 PolarHBondContact OE2-N 2.86Å; L686-L728 HydrophobicContact CD2-CD2 4.5Å; L686-P732 HydrophobicContact CD1-CB 4.13Å; L686-P732 HydrophobicContact CD2-CB 4.36Å; L686-P732 HydrophobicContact CD2-CG 4.12Å; L686-P732 HydrophobicContact CG-CB 4.42Å; L686-L734 HydrophobicContact CD1-CD2 4.14Å; L686-P818 HydrophobicContact CD1-CG 4.34Å; L686-F819 HydrophobicContact CD2-CZ 4.34Å; L686-L829 HydrophobicContact CB-CD1 3.79Å; L686-L829 HydrophobicContact CD1-CD1 4.43Å; L686-L829 HydrophobicContact CD2-CD1 4.34Å; L686-L829 HydrophobicContact CG-CD1 4.43Å; L686-R833 WeakPolarHBondContact O-CD 3.36Å; L686-R833 PolarHBondContact O-NH1 3.16Å; L686-I842 HydrophobicContact CD2-CD1 4.06Å; L686-I842 HydrophobicContact CD2-CG1 4.24Å; L686-I842 HydrophobicContact CD2-CG2 3.84Å |
| 687 | C | 93.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.007 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -153.1 | 23.6 | -176 | 57.9 | 0 | 0 | 0 | 0 | 113.8 | E575 E689 L829 T832 R833 K836 | E575-C687 PolarHBondContact OE1-N 3.37Å; C687-E689 PolarHBondContact O-N 2.76Å; C687-L829 HydrophobicContact CB-CG 4.31Å; C687-T832 HydrophobicContact CB-CG2 3.83Å; C687-R833 HydrophobicContact CB-CG 3.8Å; C687-K836 WeakPolarHBondContact O-CD 3.48Å; C687-K836 PolarHBondContact O-NZ 3.37Å |
| 688 | E | 92.9 | Very high | 96.1 | Very high | 65 Ų | 65 | 21.4 Ų | 21.4 | 30% | 0.304 | 10% | 0.098 | S | C | . | . | S | Bend | trans | 56.7 | 31.7 | 180 | -60 | -179.1 | 175.3 | 0 | 0 | 112.8 | E575 E683 G684 K836 L838 | E575-E688 PolarHBondContact OE1-N 3.26Å; E575-E688 VanDerWaalsContact OE1-N 3.11Å; E683-E688 HydrophobicContact CB-CB 4.18Å; E683-E688 HydrophobicContact CB-CG 4.24Å; E683-E688 HydrophobicContact CG-CB 4.36Å; G684-E688 WeakPolarHBondContact O-CA 3.48Å; G684-E688 PolarHBondContact O-N 3.11Å; E688-K836 HydrophobicContact CB-CD 4.33Å; E688-K836 PolarHBondContact O-NZ 3.23Å; E688-L838 HydrophobicContact CB-CD1 4.16Å; E688-L838 VanDerWaalsContact CD-CD2 3.49Å; E688-L838 HydrophobicContact CG-CD1 3.77Å; E688-L838 HydrophobicContact CG-CD2 4.45Å; E688-L838 WeakPolarHBondContact OE1-CD2 3.42Å; E688-L838 WeakPolarHBondContact OE2-CD2 3.41Å |
| 689 | E | 92.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | P | Polyproline II helix | trans | -86.5 | 153 | 166.1 | -71.3 | -63.1 | 141.8 | 0 | 0 | 109.4 | E575 G684 C687 M691 T832 R835 K836 | E575-E689 HydrophobicContact CG-CB 4.16Å; E575-E689 PolarHBondContact OE1-N 2.79Å; E575-E689 VanDerWaalsContact OE1-N 3.16Å; G684-E689 WeakPolarHBondContact CA-O 3.48Å; G684-E689 PolarHBondContact N-O 3.41Å; C687-E689 PolarHBondContact O-N 2.76Å; E689-M691 PolarHBondContact O-N 2.86Å; E689-T832 HydrophobicContact CG-CG2 4.36Å; E689-R835 IonicContact OE1-NH2 3.66Å; E689-K836 WeakPolarHBondContact OE1-CE 3.47Å; E689-K836 IonicContact OE1-NZ 3.32Å; E689-K836 PolarHBondContact OE1-NZ 3.08Å |
| 690 | N | 93.4 | Very high | 96.1 | Very high | 39 Ų | 39 | 21.3 Ų | 21.3 | 21% | 0.209 | 10% | 0.104 | C | C | . | . | P | Polyproline II helix | trans | -58.3 | 138.6 | 178.5 | -68.4 | 21 | 0 | 0 | 0 | 110.1 | R574 E575 P648 T681 K682 | R574-N690 CarbonylContact C-O 3.37Å; R574-N690 WeakPolarHBondContact CA-O 3.25Å; R574-N690 WeakPolarHBondContact CB-O 3.32Å; R574-N690 WeakPolarHBondContact CD-O 3.4Å; E575-N690 PolarHBondContact N-O 2.99Å; P648-N690 HydrophobicContact CG-CB 4.37Å; T681-N690 CarbonylContact O-C 3.57Å; T681-N690 WeakPolarHBondContact O-CA 3.36Å; K682-N690 WeakPolarHBondContact O-CA 3.47Å; K682-N690 PolarHBondContact O-OD1 2.79Å |
| 691 | M | 97.5 | Very high | 96.1 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.015 | 11% | 0.106 | C | C | . | . | B | Isolated β-bridge | trans | -74.8 | 152.6 | 172.5 | -62.7 | -173.3 | 179.7 | 0 | 0 | 111 | E575 N654 A680 T681 E689 V694 F696 Y724 V727 | E575-M691 HydrophobicContact CB-CG 4.25Å; E575-M691 CarbonylContact O-C 3.54Å; E575-M691 WeakPolarHBondContact O-CA 3.17Å; N654-M691 VanDerWaalsContact ND2-C 3.29Å; N654-M691 PolarHBondContact ND2-O 2.83Å; A680-M691 VanDerWaalsContact O-CE 3.31Å; A680-M691 WeakPolarHBondContact O-CE 3.29Å; T681-M691 HydrophobicContact CG2-CB 4.5Å; T681-M691 HydrophobicContact CG2-SD 4.31Å; T681-M691 PolarHBondContact O-N 2.87Å; E689-M691 PolarHBondContact O-N 2.86Å; M691-V694 HydrophobicContact CB-CG2 4.49Å; M691-F696 HydrophobicContact SD-CE2 4.25Å; M691-F696 HydrophobicContact SD-CZ 3.9Å; M691-Y724 HydrophobicContact CE-CD1 4.19Å; M691-Y724 HydrophobicContact CE-CE1 4.17Å; M691-V727 HydrophobicContact CE-CG2 3.82Å; M691-V727 HydrophobicContact SD-CG2 4.16Å |
| 692 | R | 97 | Very high | 96 | Very high | 16 Ų | 16 | 24.5 Ų | 24.5 | 6% | 0.06 | 12% | 0.123 | C | C | . | . | trans | -147.8 | 139.7 | 171 | 170.6 | 168.9 | -162.6 | -78.2 | 4.6 | 110.8 | R574 E575 T576 E609 D612 P653 N654 L735 W811 | R574-R692 HydrophobicContact CB-CB 3.94Å; R574-R692 HydrophobicContact CG-CB 4.14Å; E575-R692 PolarHBondContact O-N 2.85Å; T576-R692 WeakPolarHBondContact CB-O 3.49Å; T576-R692 PolarHBondContact OG1-O 2.93Å; E609-R692 IonicContact OE1-CZ 3.75Å; E609-R692 VanDerWaalsContact OE1-CZ 3.32Å; E609-R692 IonicContact OE1-NH1 3.9Å; E609-R692 PolarHBondContact OE1-NH1 2.83Å; E609-R692 IonicContact OE1-NH2 3.51Å; E609-R692 PolarHBondContact OE1-NH2 2.9Å; D612-R692 IonicContact OD2-CZ 3.14Å; D612-R692 VanDerWaalsContact OD2-CZ 3.27Å; D612-R692 IonicContact OD2-NE 2.71Å; D612-R692 PolarHBondContact OD2-NE 3.21Å; D612-R692 IonicContact OD2-NH2 2.71Å; D612-R692 PolarHBondContact OD2-NH2 2.74Å; P653-R692 HydrophobicContact CB-CG 4.36Å; P653-R692 HydrophobicContact CG-CB 4.13Å; P653-R692 HydrophobicContact CG-CG 3.63Å; N654-R692 VanDerWaalsContact OD1-C 3.28Å; N654-R692 VanDerWaalsContact OD1-CA 3.3Å; N654-R692 WeakPolarHBondContact OD1-CA 3.42Å; N654-R692 PolarHBondContact OD1-N 3.38Å; R692-L735 HydrophobicContact CB-CD1 4.03Å; R692-L735 HydrophobicContact CG-CD1 4.07Å; R692-W811 VanDerWaalsContact CD-CD1 3.42Å; R692-W811 VanDerWaalsContact CZ-CD1 3.48Å | ||
| 693 | G | 97.5 | Very high | 96 | Very high | 10 Ų | 10 | 21.1 Ų | 21.1 | 10% | 0.103 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 76.2 | 25.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | M603 P653 N654 | M603-G693 WeakPolarHBondContact CG-O 3.39Å; M603-G693 PolarHBondContact N-O 2.84Å; P653-G693 WeakPolarHBondContact O-CA 3.12Å; P653-G693 PolarHBondContact O-N 2.8Å; N654-G693 PolarHBondContact OD1-N 2.89Å |
| 694 | V | 98.4 | Very high | 96 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 127.6 | -178.6 | -167.8 | 0 | 0 | 0 | 0 | 111.2 | V577 A600 N654 I655 M691 F696 | V577-V694 HydrophobicContact CG1-CG1 4.46Å; V577-V694 HydrophobicContact CG2-CB 4.4Å; V577-V694 HydrophobicContact CG2-CG1 3.8Å; V577-V694 HydrophobicContact CG2-CG2 4.12Å; A600-V694 HydrophobicContact CB-CG1 4.11Å; N654-V694 CarbonylContact C-O 3.55Å; N654-V694 VanDerWaalsContact CA-O 3.23Å; N654-V694 WeakPolarHBondContact CA-O 3.2Å; N654-V694 WeakPolarHBondContact CB-O 3.46Å; N654-V694 WeakPolarHBondContact OD1-CB 3.39Å; N654-V694 PolarHBondContact OD1-N 2.91Å; I655-V694 PolarHBondContact N-O 3.39Å; M691-V694 HydrophobicContact CB-CG2 4.49Å; V694-F696 HydrophobicContact CB-CD2 4.39Å; V694-F696 HydrophobicContact CB-CE2 3.79Å; V694-F696 HydrophobicContact CB-CZ 4.33Å; V694-F696 HydrophobicContact CG1-CD2 3.85Å; V694-F696 HydrophobicContact CG1-CE1 4.2Å; V694-F696 HydrophobicContact CG1-CE2 3.35Å; V694-F696 HydrophobicContact CG1-CZ 3.57Å |
| 695 | R | 97.9 | Very high | 95.7 | Very high | 20 Ų | 20 | 25.1 Ų | 25.1 | 8% | 0.075 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 130.3 | 167.8 | 167.4 | 178.2 | 175.5 | 179.2 | -3.1 | 109.3 | A600 Q601 M603 E639 I655 V657 D697 | A600-R695 CarbonylContact C-O 3.55Å; A600-R695 VanDerWaalsContact CA-O 3.28Å; A600-R695 WeakPolarHBondContact CA-O 3.44Å; Q601-R695 HydrophobicContact CG-CB 3.95Å; Q601-R695 HydrophobicContact CG-CG 4Å; Q601-R695 PolarHBondContact N-O 2.8Å; Q601-R695 PolarHBondContact O-N 3.22Å; M603-R695 HydrophobicContact CG-CB 4.05Å; E639-R695 IonicContact OE2-CZ 2.7Å; E639-R695 IonicContact OE2-NH1 2.79Å; E639-R695 IonicContact OE2-NH2 3.71Å; E639-R695 PolarHBondContact OE2-NH2 2.93Å; I655-R695 HydrophobicContact CD1-CB 3.99Å; I655-R695 HydrophobicContact CD1-CG 3.88Å; I655-R695 HydrophobicContact CG1-CB 3.7Å; I655-R695 HydrophobicContact CG1-CG 3.86Å; V657-R695 HydrophobicContact CG2-CG 4.18Å; R695-D697 IonicContact CZ-OD1 3.89Å; R695-D697 VanDerWaalsContact CZ-OD1 3.24Å; R695-D697 IonicContact CZ-OD2 2.92Å; R695-D697 IonicContact NE-OD1 3.96Å; R695-D697 PolarHBondContact NE-OD1 2.89Å; R695-D697 IonicContact NE-OD2 2.71Å; R695-D697 PolarHBondContact NE-OD2 3.37Å; R695-D697 IonicContact NH2-OD1 3.11Å; R695-D697 PolarHBondContact NH2-OD1 2.88Å; R695-D697 IonicContact NH2-OD2 2.93Å |
| 696 | F | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 128.6 | 174 | -67 | -90 | 0 | 0 | 0 | 110.4 | K599 A600 I655 L656 V657 F677 T681 M691 V694 L723 A726 V727 | K599-F696 WeakPolarHBondContact O-CA 3.26Å; A600-F696 HydrophobicContact CB-CD1 3.8Å; A600-F696 HydrophobicContact CB-CE1 3.75Å; I655-F696 PolarHBondContact O-N 2.79Å; L656-F696 WeakPolarHBondContact CA-O 3.36Å; L656-F696 HydrophobicContact CD1-CB 3.83Å; V657-F696 PolarHBondContact N-O 3.47Å; F677-F696 HydrophobicContact CD2-CD2 4.19Å; F677-F696 AromaticContact CE2-CD2 3.65Å; F677-F696 HydrophobicContact CE2-CD2 3.65Å; F677-F696 HydrophobicContact CE2-CE2 4.1Å; F677-F696 HydrophobicContact CE2-CG 4.46Å; T681-F696 HydrophobicContact CG2-CE2 4.3Å; M691-F696 HydrophobicContact SD-CE2 4.25Å; M691-F696 HydrophobicContact SD-CZ 3.9Å; V694-F696 HydrophobicContact CB-CD2 4.39Å; V694-F696 HydrophobicContact CB-CE2 3.79Å; V694-F696 HydrophobicContact CB-CZ 4.33Å; V694-F696 HydrophobicContact CG1-CD2 3.85Å; V694-F696 HydrophobicContact CG1-CE1 4.2Å; V694-F696 HydrophobicContact CG1-CE2 3.35Å; V694-F696 HydrophobicContact CG1-CZ 3.57Å; F696-L723 HydrophobicContact CB-CD2 3.88Å; F696-L723 HydrophobicContact CD1-CB 4.47Å; F696-L723 HydrophobicContact CD1-CD2 3.22Å; F696-L723 HydrophobicContact CD1-CG 4.43Å; F696-L723 HydrophobicContact CD2-CD2 4.18Å; F696-L723 HydrophobicContact CE1-CB 4.08Å; F696-L723 HydrophobicContact CE1-CD2 3.62Å; F696-L723 HydrophobicContact CE1-CG 4.48Å; F696-L723 HydrophobicContact CE2-CD2 4.49Å; F696-L723 HydrophobicContact CG-CD2 3.5Å; F696-L723 VanDerWaalsContact CG-CD2 3.5Å; F696-L723 HydrophobicContact CZ-CD2 4.23Å; F696-A726 HydrophobicContact CD1-CB 4.41Å; F696-A726 HydrophobicContact CE1-CB 4.4Å; F696-V727 HydrophobicContact CE1-CG2 3.64Å; F696-V727 HydrophobicContact CZ-CG2 3.52Å |
| 697 | D | 98.3 | Very high | 95 | Very high | 6 Ų | 6 | 30.9 Ų | 30.9 | 3% | 0.032 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 121.5 | -179.4 | -65 | -50.3 | 0 | 0 | 0 | 110.4 | M598 K599 Q601 V657 C659 R695 H699 | M598-D697 WeakPolarHBondContact CA-O 3.26Å; M598-D697 WeakPolarHBondContact CB-O 3.45Å; K599-D697 PolarHBondContact N-O 3.36Å; K599-D697 VanDerWaalsContact N-O 3.14Å; K599-D697 PolarHBondContact O-N 3.33Å; Q601-D697 PolarHBondContact NE2-OD2 3.07Å; V657-D697 WeakPolarHBondContact CB-OD1 3.5Å; C659-D697 HydrophobicContact CB-CB 4.48Å; C659-D697 PolarHBondContact SG-OD1 2.82Å; C659-D697 VanDerWaalsContact SG-OD1 3.38Å; R695-D697 IonicContact CZ-OD1 3.89Å; R695-D697 VanDerWaalsContact CZ-OD1 3.24Å; R695-D697 IonicContact CZ-OD2 2.92Å; R695-D697 IonicContact NE-OD1 3.96Å; R695-D697 PolarHBondContact NE-OD1 2.89Å; R695-D697 IonicContact NE-OD2 2.71Å; R695-D697 PolarHBondContact NE-OD2 3.37Å; R695-D697 IonicContact NH2-OD1 3.11Å; R695-D697 PolarHBondContact NH2-OD1 2.88Å; R695-D697 IonicContact NH2-OD2 2.93Å; D697-H699 PolarHBondContact O-N 3Å |
| 698 | I | 98.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 106.7 | 170.2 | -46.5 | -179.8 | 0 | 0 | 0 | 107.4 | M598 W644 L656 V657 C659 T660 V673 V701 | M598-I698 HydrophobicContact CE-CD1 4.06Å; M598-I698 HydrophobicContact CE-CG1 3.72Å; M598-I698 HydrophobicContact CG-CG1 4.5Å; M598-I698 HydrophobicContact SD-CG1 4.32Å; W644-I698 HydrophobicContact CD2-CD1 4.33Å; W644-I698 HydrophobicContact CE3-CD1 3.78Å; W644-I698 HydrophobicContact CH2-CD1 3.95Å; W644-I698 HydrophobicContact CZ2-CD1 4.46Å; W644-I698 HydrophobicContact CZ3-CD1 3.57Å; L656-I698 HydrophobicContact CD1-CD1 4.04Å; L656-I698 HydrophobicContact CD1-CG1 3.81Å; L656-I698 HydrophobicContact CD2-CD1 4.27Å; L656-I698 HydrophobicContact CG-CD1 4.19Å; L656-I698 HydrophobicContact CG-CG1 4.4Å; V657-I698 PolarHBondContact O-N 2.97Å; C659-I698 CarbonylContact C-O 3.58Å; C659-I698 VanDerWaalsContact C-O 3.32Å; C659-I698 VanDerWaalsContact CA-O 3.31Å; C659-I698 WeakPolarHBondContact CA-O 3.2Å; C659-I698 WeakPolarHBondContact CB-O 3.19Å; C659-I698 PolarHBondContact N-O 2.89Å; T660-I698 HydrophobicContact CG2-CB 4.23Å; T660-I698 HydrophobicContact CG2-CG2 3.71Å; T660-I698 VanDerWaalsContact CG2-O 3.31Å; T660-I698 WeakPolarHBondContact CG2-O 3.38Å; T660-I698 PolarHBondContact N-O 2.82Å; V673-I698 HydrophobicContact CG1-CD1 4.12Å; I698-V701 HydrophobicContact CG2-CG2 3.66Å |
| 699 | H | 96.9 | Very high | 94.7 | Very high | 64 Ų | 64 | 36 Ų | 36 | 30% | 0.296 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -37.9 | -176.8 | -76.5 | -71.5 | 0 | 0 | 0 | 112.9 | M584 F597 D697 | M584-H699 HydrophobicContact CE-CB 3.48Å; M584-H699 VanDerWaalsContact CE-CB 3.48Å; M584-H699 HydrophobicContact SD-CB 3.78Å; F597-H699 PolarHBondContact O-N 3.47Å; D697-H699 PolarHBondContact O-N 3Å |
| 700 | D | 96.2 | Very high | 94.6 | Very high | 74 Ų | 74 | 36.7 Ų | 36.7 | 40% | 0.396 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 156.1 | 178.7 | -165.8 | 17 | 0 | 0 | 0 | 111.5 | F597 | F597-D700 HydrophobicContact CB-CB 4.07Å; F597-D700 WeakPolarHBondContact CB-O 3.48Å; F597-D700 HydrophobicContact CD2-CB 3.82Å; F597-D700 WeakPolarHBondContact CD2-O 3.37Å; F597-D700 HydrophobicContact CG-CB 4.18Å; F597-D700 PolarHBondContact N-O 2.77Å |
| 701 | V | 96 | Very high | 94.5 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 5% | 0.048 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 126.3 | 174.9 | -167.9 | 0 | 0 | 0 | 0 | 109.8 | R595 I596 T660 V663 L666 I669 I698 L703 | R595-V701 CarbonylContact O-C 3.53Å; R595-V701 VanDerWaalsContact O-CA 3.28Å; R595-V701 WeakPolarHBondContact O-CA 3.42Å; R595-V701 VanDerWaalsContact O-CG1 3.28Å; R595-V701 WeakPolarHBondContact O-CG1 3.41Å; I596-V701 HydrophobicContact CG1-CG1 4.28Å; T660-V701 HydrophobicContact CG2-CG2 4.35Å; V663-V701 HydrophobicContact CG1-CB 4.09Å; L666-V701 HydrophobicContact CD1-CB 4.26Å; L666-V701 HydrophobicContact CD1-CG2 3.7Å; I669-V701 HydrophobicContact CD1-CG1 3.95Å; I698-V701 HydrophobicContact CG2-CG2 3.66Å; V701-L703 HydrophobicContact CB-CG 4.47Å; V701-L703 HydrophobicContact CG1-CD1 4.13Å; V701-L703 HydrophobicContact CG1-CD2 3.51Å; V701-L703 HydrophobicContact CG1-CG 3.55Å |
| 702 | T | 95.1 | Very high | 94.2 | Very high | 60 Ų | 60 | 37.5 Ų | 37.5 | 37% | 0.368 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 119.3 | 165.7 | -48.9 | 0 | 0 | 0 | 0 | 108.5 | N594 R595 | N594-T702 CarbonylContact C-O 3.56Å; N594-T702 WeakPolarHBondContact CA-O 3.47Å; R595-T702 PolarHBondContact N-O 3.03Å; R595-T702 PolarHBondContact O-N 3.01Å |
| 703 | L | 94.7 | Very high | 94 | Very high | 27 Ų | 27 | 39.6 Ų | 39.6 | 14% | 0.141 | 25% | 0.252 | C | S | . | . | trans | -118.4 | 139 | -179.3 | -66.6 | 179.5 | 0 | 0 | 0 | 111.6 | N594 I669 V701 I715 | N594-L703 HydrophobicContact CB-CD2 4.11Å; I669-L703 HydrophobicContact CD1-CD1 4.18Å; I669-L703 HydrophobicContact CD1-CD2 4.17Å; I669-L703 HydrophobicContact CG1-CD1 4.17Å; I669-L703 HydrophobicContact CG2-CD1 3.94Å; I669-L703 HydrophobicContact CG2-CD2 3.9Å; V701-L703 HydrophobicContact CB-CG 4.47Å; V701-L703 HydrophobicContact CG1-CD1 4.13Å; V701-L703 HydrophobicContact CG1-CD2 3.51Å; V701-L703 HydrophobicContact CG1-CG 3.55Å; L703-I715 HydrophobicContact CD2-CD1 4.42Å | ||
| 704 | H | 93.3 | Very high | 93.9 | Very high | 59 Ų | 59 | 41.4 Ų | 41.4 | 27% | 0.273 | 26% | 0.257 | S | S | . | . | trans | -65.2 | 147.5 | 170.8 | -163.8 | -97 | 0 | 0 | 0 | 110.7 | H593 N594 D706 H709 R710 | H593-H704 HydrophobicContact CB-CB 3.96Å; H593-H704 AromaticContact CG-CD2 3.85Å; H593-H704 AromaticContact ND1-CD2 3.78Å; N594-H704 PolarHBondContact OD1-N 3.29Å; N594-H704 VanDerWaalsContact OD1-N 3.08Å; H704-D706 PolarHBondContact ND1-N 2.84Å; H704-D706 VanDerWaalsContact ND1-N 3.14Å; H704-H709 HydrophobicContact CB-CB 3.79Å; H704-H709 AromaticContact CE1-CD2 3.36Å; H704-H709 PolarHBondContact CE1-CD2 2.96Å; H704-H709 AromaticContact CE1-NE2 3.82Å; H704-H709 AromaticContact CG-CD2 3.97Å; H704-H709 AromaticContact ND1-CD2 3.22Å; H704-H709 PolarHBondContact ND1-CD2 3.46Å; H704-H709 AromaticContact ND1-CG 3.68Å; H704-R710 WeakPolarHBondContact O-CD 3.15Å; H704-R710 PolarHBondContact O-NH1 3.32Å | ||
| 705 | A | 90.3 | Very high | 93.8 | Very high | 67 Ų | 67 | 41.3 Ų | 41.3 | 55% | 0.554 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -68.2 | -37.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R710 | A705-R710 PolarHBondContact O-NH1 3.11Å; A705-R710 VanDerWaalsContact O-NH1 3.13Å |
| 706 | D | 89.5 | Confident | 93.8 | Very high | 75 Ų | 75 | 42.6 Ų | 42.6 | 40% | 0.401 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -85.6 | 128.1 | 179.1 | -176 | -8.9 | 0 | 0 | 0 | 112 | H704 I708 H709 | H704-D706 PolarHBondContact ND1-N 2.84Å; H704-D706 VanDerWaalsContact ND1-N 3.14Å; D706-I708 VanDerWaalsContact C-N 3.27Å; D706-I708 PolarHBondContact O-N 3.28Å; D706-I708 PolarHBondContact OD1-N 2.94Å; D706-I708 VanDerWaalsContact OD1-N 3.14Å; D706-I708 WeakPolarHBondContact OD2-CD1 3.29Å; D706-H709 PolarHBondContact O-N 2.89Å |
| 707 | A | 88.1 | Confident | 93.7 | Very high | 51 Ų | 51 | 45.1 Ų | 45.1 | 42% | 0.421 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -62 | -27.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | H709 R710 | A707-H709 PolarHBondContact O-N 2.77Å; A707-H709 VanDerWaalsContact O-N 3.12Å; A707-R710 PolarHBondContact O-N 3.12Å |
| 708 | I | 88.6 | Confident | 93.7 | Very high | 127 Ų | 127 | 44.9 Ų | 44.9 | 65% | 0.651 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -59.6 | -27.7 | 177.6 | 70.8 | -177.4 | 0 | 0 | 0 | 111.8 | D706 R710 | D706-I708 VanDerWaalsContact C-N 3.27Å; D706-I708 PolarHBondContact O-N 3.28Å; D706-I708 PolarHBondContact OD1-N 2.94Å; D706-I708 VanDerWaalsContact OD1-N 3.14Å; D706-I708 WeakPolarHBondContact OD2-CD1 3.29Å; I708-R710 VanDerWaalsContact C-N 3.34Å |
| 709 | H | 90.4 | Very high | 93.6 | Very high | 47 Ų | 47 | 44.8 Ų | 44.8 | 22% | 0.218 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -85.1 | -6.4 | 178.8 | -63.9 | -79.5 | 0 | 0 | 0 | 113.2 | N591 H593 N594 H704 D706 A707 | N591-H709 PolarHBondContact ND2-O 2.91Å; H593-H709 AromaticContact CD2-CE1 3.99Å; H593-H709 AromaticContact CD2-ND1 3.45Å; H593-H709 PolarHBondContact CD2-ND1 3.29Å; H593-H709 AromaticContact NE2-ND1 3.92Å; N594-H709 PolarHBondContact ND2-O 2.98Å; H704-H709 HydrophobicContact CB-CB 3.79Å; H704-H709 AromaticContact CE1-CD2 3.36Å; H704-H709 PolarHBondContact CE1-CD2 2.96Å; H704-H709 AromaticContact CE1-NE2 3.82Å; H704-H709 AromaticContact CG-CD2 3.97Å; H704-H709 AromaticContact ND1-CD2 3.22Å; H704-H709 PolarHBondContact ND1-CD2 3.46Å; H704-H709 AromaticContact ND1-CG 3.68Å; D706-H709 PolarHBondContact O-N 2.89Å; A707-H709 PolarHBondContact O-N 2.77Å; A707-H709 VanDerWaalsContact O-N 3.12Å |
| 710 | R | 90.8 | Very high | 93.7 | Very high | 15 Ų | 15 | 44.4 Ų | 44.4 | 6% | 0.057 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -110.8 | 8.3 | -176.5 | -57.6 | -171.9 | -66.9 | -127.6 | 2.7 | 114 | E668 I669 H704 A705 A707 I708 I715 | E668-R710 IonicContact OE1-CZ 2.62Å; E668-R710 IonicContact OE1-NH2 3.37Å; E668-R710 PolarHBondContact OE1-NH2 2.79Å; E668-R710 IonicContact OE2-CZ 3.29Å; E668-R710 VanDerWaalsContact OE2-CZ 3.29Å; E668-R710 IonicContact OE2-NE 2.79Å; E668-R710 PolarHBondContact OE2-NE 3.35Å; E668-R710 IonicContact OE2-NH2 3.99Å; E668-R710 PolarHBondContact OE2-NH2 3.5Å; I669-R710 HydrophobicContact CG2-CB 4.22Å; H704-R710 WeakPolarHBondContact O-CD 3.15Å; H704-R710 PolarHBondContact O-NH1 3.32Å; A705-R710 PolarHBondContact O-NH1 3.11Å; A705-R710 VanDerWaalsContact O-NH1 3.13Å; A707-R710 PolarHBondContact O-N 3.12Å; I708-R710 VanDerWaalsContact C-N 3.34Å; R710-I715 VanDerWaalsContact O-CG1 3.24Å; R710-I715 WeakPolarHBondContact O-CG1 3.39Å |
| 711 | G | 91 | Very high | 93.8 | Very high | 34 Ų | 34 | 44.1 Ų | 44.1 | 35% | 0.351 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -61.5 | 163.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G713 Q714 I715 | G711-G713 VanDerWaalsContact C-N 3.29Å; G711-G713 PolarHBondContact O-N 3.45Å; G711-Q714 WeakPolarHBondContact O-CA 3.44Å; G711-Q714 WeakPolarHBondContact O-CB 3.3Å; G711-Q714 PolarHBondContact O-N 3.35Å; G711-I715 PolarHBondContact O-N 3.15Å; G711-I715 VanDerWaalsContact O-N 3.15Å |
| 712 | G | 91.5 | Very high | 93.9 | Very high | 26 Ų | 26 | 43.7 Ų | 43.7 | 27% | 0.268 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -54.6 | -38.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S672 Q714 I715 I716 | S672-G712 WeakPolarHBondContact OG-CA 3.42Å; G712-Q714 PolarHBondContact O-N 2.87Å; G712-Q714 VanDerWaalsContact O-N 3.15Å; G712-I715 PolarHBondContact O-N 2.78Å; G712-I716 VanDerWaalsContact O-CB 3.26Å; G712-I716 WeakPolarHBondContact O-CB 3.13Å; G712-I716 VanDerWaalsContact O-CG1 3.23Å; G712-I716 WeakPolarHBondContact O-CG1 3.43Å; G712-I716 PolarHBondContact O-N 3.16Å |
| 713 | G | 93.4 | Very high | 94 | Very high | 60 Ų | 60 | 40.9 Ų | 40.9 | 62% | 0.619 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -63.8 | -17.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G711 P717 | G711-G713 VanDerWaalsContact C-N 3.29Å; G711-G713 PolarHBondContact O-N 3.45Å; G713-P717 VanDerWaalsContact O-CG 3.3Å; G713-P717 WeakPolarHBondContact O-CG 3.45Å |
| 714 | Q | 94.3 | Very high | 94.2 | Very high | 47 Ų | 47 | 39.8 Ų | 39.8 | 22% | 0.22 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -92.5 | -46.1 | 172.5 | -60.2 | -60.4 | -48.1 | 0 | 0 | 111.1 | P590 N591 G711 G712 T718 | P590-Q714 VanDerWaalsContact CD-OE1 3.29Å; N591-Q714 PolarHBondContact ND2-OE1 3.08Å; G711-Q714 WeakPolarHBondContact O-CA 3.44Å; G711-Q714 WeakPolarHBondContact O-CB 3.3Å; G711-Q714 PolarHBondContact O-N 3.35Å; G712-Q714 PolarHBondContact O-N 2.87Å; G712-Q714 VanDerWaalsContact O-N 3.15Å; Q714-T718 WeakPolarHBondContact O-CB 3.22Å; Q714-T718 PolarHBondContact O-OG1 3.42Å |
| 715 | I | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -81.4 | -43.1 | -170.3 | -60.3 | -58.9 | 0 | 0 | 0 | 112.8 | N594 I596 I669 V673 L703 R710 G711 G712 T718 A719 | N594-I715 HydrophobicContact CB-CD1 4.12Å; I596-I715 HydrophobicContact CD1-CG2 4.36Å; I669-I715 HydrophobicContact CB-CG1 4.26Å; I669-I715 HydrophobicContact CB-CG2 4.11Å; I669-I715 HydrophobicContact CG2-CD1 3.96Å; I669-I715 HydrophobicContact CG2-CG1 3.91Å; V673-I715 HydrophobicContact CG2-CG2 3.65Å; L703-I715 HydrophobicContact CD2-CD1 4.42Å; R710-I715 VanDerWaalsContact O-CG1 3.24Å; R710-I715 WeakPolarHBondContact O-CG1 3.39Å; G711-I715 PolarHBondContact O-N 3.15Å; G711-I715 VanDerWaalsContact O-N 3.15Å; G712-I715 PolarHBondContact O-N 2.78Å; I715-T718 WeakPolarHBondContact O-CB 3.25Å; I715-T718 PolarHBondContact O-N 2.85Å; I715-T718 VanDerWaalsContact O-N 3.16Å; I715-A719 WeakPolarHBondContact O-CB 3.33Å; I715-A719 PolarHBondContact O-N 2.93Å |
| 716 | I | 97 | Very high | 94.8 | Very high | 47 Ų | 47 | 33.8 Ų | 33.8 | 24% | 0.241 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.8 | -55.1 | -176.8 | -63.7 | 167.2 | 0 | 0 | 0 | 111.9 | S672 A675 W679 G712 T718 A719 R720 | S672-I716 WeakPolarHBondContact O-CG1 3.28Å; A675-I716 HydrophobicContact CB-CD1 4.23Å; A675-I716 HydrophobicContact CB-CG1 4.18Å; W679-I716 HydrophobicContact CE3-CG2 4.27Å; G712-I716 VanDerWaalsContact O-CB 3.26Å; G712-I716 WeakPolarHBondContact O-CB 3.13Å; G712-I716 VanDerWaalsContact O-CG1 3.23Å; G712-I716 WeakPolarHBondContact O-CG1 3.43Å; G712-I716 PolarHBondContact O-N 3.16Å; I716-T718 VanDerWaalsContact C-N 3.29Å; I716-T718 PolarHBondContact O-N 2.91Å; I716-A719 PolarHBondContact O-N 2.61Å; I716-R720 PolarHBondContact O-N 2.92Å |
| 717 | P | 96.7 | Very high | 95.3 | Very high | 52 Ų | 52 | 30.3 Ų | 30.3 | 34% | 0.338 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.6 | -32.5 | 178.7 | 24.9 | -34.2 | 0 | 0 | 0 | 112.5 | G713 R721 | G713-P717 VanDerWaalsContact O-CG 3.3Å; G713-P717 WeakPolarHBondContact O-CG 3.45Å; P717-R721 WeakPolarHBondContact O-CG 3.31Å; P717-R721 PolarHBondContact O-N 2.93Å |
| 718 | T | 97.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65 | -46.6 | 177.5 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | S587 S589 I596 Q714 I715 I716 R721 V722 | S587-T718 VanDerWaalsContact CB-O 3.29Å; S587-T718 WeakPolarHBondContact CB-O 3.37Å; S587-T718 WeakPolarHBondContact O-CG2 3.49Å; S587-T718 WeakPolarHBondContact OG-CG2 3.12Å; S587-T718 PolarHBondContact OG-O 3.18Å; S589-T718 WeakPolarHBondContact CA-OG1 3.36Å; I596-T718 HydrophobicContact CB-CG2 4.5Å; I596-T718 HydrophobicContact CD1-CG2 3.82Å; I596-T718 HydrophobicContact CG1-CG2 3.96Å; Q714-T718 WeakPolarHBondContact O-CB 3.22Å; Q714-T718 PolarHBondContact O-OG1 3.42Å; I715-T718 WeakPolarHBondContact O-CB 3.25Å; I715-T718 PolarHBondContact O-N 2.85Å; I715-T718 VanDerWaalsContact O-N 3.16Å; I716-T718 VanDerWaalsContact C-N 3.29Å; I716-T718 PolarHBondContact O-N 2.91Å; T718-R721 PolarHBondContact O-N 2.92Å; T718-V722 PolarHBondContact O-N 2.99Å; T718-V722 VanDerWaalsContact O-N 3.09Å |
| 719 | A | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.7 | -48.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | I596 V673 I715 I716 R721 V722 L723 | I596-A719 HydrophobicContact CD1-CB 4.23Å; V673-A719 HydrophobicContact CB-CB 4.42Å; V673-A719 HydrophobicContact CG1-CB 4.14Å; V673-A719 HydrophobicContact CG2-CB 4.43Å; I715-A719 WeakPolarHBondContact O-CB 3.33Å; I715-A719 PolarHBondContact O-N 2.93Å; I716-A719 PolarHBondContact O-N 2.61Å; A719-R721 VanDerWaalsContact C-N 3.35Å; A719-R721 PolarHBondContact O-N 3.1Å; A719-V722 VanDerWaalsContact O-CG1 3.23Å; A719-V722 WeakPolarHBondContact O-CG1 3.29Å; A719-V722 PolarHBondContact O-N 3.17Å; A719-L723 WeakPolarHBondContact O-CD1 3.16Å; A719-L723 WeakPolarHBondContact O-CG 3.31Å; A719-L723 PolarHBondContact O-N 2.87Å |
| 720 | R | 97.4 | Very high | 96.5 | Very high | 56 Ų | 56 | 20.9 Ų | 20.9 | 21% | 0.211 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.5 | -46.6 | 176.7 | -177.4 | 178 | 170.1 | -167.2 | -1.7 | 112.2 | A680 E683 I716 L723 Y724 | A680-R720 HydrophobicContact CB-CG 4.38Å; E683-R720 IonicContact OE2-NH2 2.66Å; I716-R720 PolarHBondContact O-N 2.92Å; R720-L723 PolarHBondContact O-N 2.86Å; R720-Y724 HydrophobicContact CG-CD2 4.21Å; R720-Y724 HydrophobicContact CG-CE2 3.75Å; R720-Y724 VanDerWaalsContact NE-CE2 3.27Å; R720-Y724 PolarHBondContact NE-OH 3.09Å; R720-Y724 PolarHBondContact NH2-OH 3Å; R720-Y724 PolarHBondContact O-N 2.76Å; R720-Y724 VanDerWaalsContact O-N 3.09Å |
| 721 | R | 97.8 | Very high | 96.8 | Very high | 67 Ų | 67 | 22.5 Ų | 22.5 | 25% | 0.253 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -60.1 | -48.3 | 177.9 | -72.6 | 179.7 | 72.1 | -136 | -0.3 | 112.1 | S587 P717 T718 A719 L723 Y724 A725 N847 Y848 D850 | S587-R721 WeakPolarHBondContact OG-CB 3.36Å; P717-R721 WeakPolarHBondContact O-CG 3.31Å; P717-R721 PolarHBondContact O-N 2.93Å; T718-R721 PolarHBondContact O-N 2.92Å; A719-R721 VanDerWaalsContact C-N 3.35Å; A719-R721 PolarHBondContact O-N 3.1Å; R721-L723 VanDerWaalsContact C-N 3.32Å; R721-L723 PolarHBondContact O-N 3.14Å; R721-Y724 PolarHBondContact O-N 3.13Å; R721-A725 PolarHBondContact O-N 3.05Å; R721-N847 PolarHBondContact NE-O 3.36Å; R721-N847 PolarHBondContact NH2-O 3.22Å; R721-N847 VanDerWaalsContact NH2-O 3.13Å; R721-Y848 HydrophobicContact CB-CD1 4.38Å; R721-Y848 HydrophobicContact CG-CD1 4.17Å; R721-Y848 WeakPolarHBondContact O-CB 3.49Å; R721-D850 IonicContact CZ-OD1 3.86Å; R721-D850 IonicContact CZ-OD2 3.54Å; R721-D850 IonicContact NH1-OD1 3.29Å; R721-D850 PolarHBondContact NH1-OD1 3.12Å; R721-D850 IonicContact NH1-OD2 3.38Å; R721-D850 PolarHBondContact NH1-OD2 3.45Å; R721-D850 IonicContact NH2-OD1 3.06Å; R721-D850 PolarHBondContact NH2-OD1 3.3Å; R721-D850 IonicContact NH2-OD2 2.79Å |
| 722 | V | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.5 | -34.8 | -178.7 | 69.7 | 0 | 0 | 0 | 0 | 112.2 | C585 I596 M598 T718 A719 A725 A726 | C585-V722 HydrophobicContact CB-CG2 3.98Å; C585-V722 WeakPolarHBondContact O-CG2 3.5Å; I596-V722 HydrophobicContact CB-CG1 4.19Å; I596-V722 HydrophobicContact CG2-CG1 3.93Å; M598-V722 HydrophobicContact CB-CG1 4.4Å; M598-V722 HydrophobicContact CB-CG2 3.9Å; M598-V722 HydrophobicContact CE-CG1 3.91Å; M598-V722 HydrophobicContact CG-CG1 3.8Å; M598-V722 HydrophobicContact CG-CG2 4.05Å; M598-V722 HydrophobicContact SD-CG1 3.69Å; T718-V722 PolarHBondContact O-N 2.99Å; T718-V722 VanDerWaalsContact O-N 3.09Å; A719-V722 VanDerWaalsContact O-CG1 3.23Å; A719-V722 WeakPolarHBondContact O-CG1 3.29Å; A719-V722 PolarHBondContact O-N 3.17Å; V722-A725 PolarHBondContact O-N 3.38Å; V722-A726 WeakPolarHBondContact O-CB 3.22Å; V722-A726 PolarHBondContact O-N 2.99Å |
| 723 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62 | -46.4 | 174.6 | -68.7 | 165 | 0 | 0 | 0 | 111.2 | M598 F677 A680 F696 A719 R720 R721 A726 V727 | M598-L723 HydrophobicContact SD-CD2 3.56Å; M598-L723 VanDerWaalsContact SD-CD2 3.56Å; M598-L723 HydrophobicContact SD-CG 4.03Å; F677-L723 HydrophobicContact CB-CD1 3.96Å; F677-L723 HydrophobicContact CD2-CD1 4.34Å; F677-L723 HydrophobicContact CD2-CD2 4.24Å; A680-L723 HydrophobicContact CB-CB 4.07Å; A680-L723 HydrophobicContact CB-CD1 3.76Å; F696-L723 HydrophobicContact CB-CD2 3.88Å; F696-L723 HydrophobicContact CD1-CB 4.47Å; F696-L723 HydrophobicContact CD1-CD2 3.22Å; F696-L723 HydrophobicContact CD1-CG 4.43Å; F696-L723 HydrophobicContact CD2-CD2 4.18Å; F696-L723 HydrophobicContact CE1-CB 4.08Å; F696-L723 HydrophobicContact CE1-CD2 3.62Å; F696-L723 HydrophobicContact CE1-CG 4.48Å; F696-L723 HydrophobicContact CE2-CD2 4.49Å; F696-L723 HydrophobicContact CG-CD2 3.5Å; F696-L723 VanDerWaalsContact CG-CD2 3.5Å; F696-L723 HydrophobicContact CZ-CD2 4.23Å; A719-L723 WeakPolarHBondContact O-CD1 3.16Å; A719-L723 WeakPolarHBondContact O-CG 3.31Å; A719-L723 PolarHBondContact O-N 2.87Å; R720-L723 PolarHBondContact O-N 2.86Å; R721-L723 VanDerWaalsContact C-N 3.32Å; R721-L723 PolarHBondContact O-N 3.14Å; L723-A726 WeakPolarHBondContact O-CB 3.27Å; L723-A726 PolarHBondContact O-N 2.75Å; L723-V727 WeakPolarHBondContact O-CG2 3.44Å; L723-V727 PolarHBondContact O-N 3.35Å |
| 724 | Y | 98.5 | Very high | 97.6 | Very high | 4 Ų | 4 | 19.1 Ų | 19.1 | 2% | 0.016 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.1 | -40.8 | 175.7 | -70 | -17.4 | 0 | 0 | 0 | 113.2 | A680 E683 V685 M691 R720 R721 A726 V727 L728 Y848 | A680-Y724 HydrophobicContact CB-CD1 4.24Å; A680-Y724 HydrophobicContact CB-CE1 3.77Å; E683-Y724 VanDerWaalsContact O-CE1 3.27Å; E683-Y724 WeakPolarHBondContact O-CE1 3.11Å; E683-Y724 VanDerWaalsContact O-CZ 3.3Å; E683-Y724 PolarHBondContact O-OH 2.95Å; V685-Y724 HydrophobicContact CB-CD1 3.73Å; V685-Y724 HydrophobicContact CB-CD2 4.5Å; V685-Y724 HydrophobicContact CB-CE1 4.21Å; V685-Y724 HydrophobicContact CB-CG 3.89Å; V685-Y724 HydrophobicContact CG2-CD1 4.3Å; V685-Y724 HydrophobicContact CG2-CD2 4.26Å; V685-Y724 HydrophobicContact CG2-CG 3.92Å; M691-Y724 HydrophobicContact CE-CD1 4.19Å; M691-Y724 HydrophobicContact CE-CE1 4.17Å; R720-Y724 HydrophobicContact CG-CD2 4.21Å; R720-Y724 HydrophobicContact CG-CE2 3.75Å; R720-Y724 VanDerWaalsContact NE-CE2 3.27Å; R720-Y724 PolarHBondContact NE-OH 3.09Å; R720-Y724 PolarHBondContact NH2-OH 3Å; R720-Y724 PolarHBondContact O-N 2.76Å; R720-Y724 VanDerWaalsContact O-N 3.09Å; R721-Y724 PolarHBondContact O-N 3.13Å; Y724-A726 VanDerWaalsContact C-N 3.3Å; Y724-A726 PolarHBondContact O-N 3.37Å; Y724-V727 PolarHBondContact O-N 3.49Å; Y724-L728 WeakPolarHBondContact O-CG 3.29Å; Y724-L728 PolarHBondContact O-N 3.08Å; Y724-Y848 HydrophobicContact CD2-CD1 4.05Å; Y724-Y848 AromaticContact CD2-CE1 3.65Å; Y724-Y848 HydrophobicContact CD2-CE1 3.65Å; Y724-Y848 AromaticContact CD2-CZ 3.92Å; Y724-Y848 HydrophobicContact CE2-CE1 4.44Å |
| 725 | A | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.5 | -41.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | C585 R721 V722 L728 T729 L845 L849 | C585-A725 HydrophobicContact CB-CB 3.88Å; C585-A725 PolarHBondContact SG-O 2.99Å; C585-A725 VanDerWaalsContact SG-O 3.4Å; R721-A725 PolarHBondContact O-N 3.05Å; V722-A725 PolarHBondContact O-N 3.38Å; A725-L728 PolarHBondContact O-N 3.15Å; A725-T729 WeakPolarHBondContact O-CG2 3.44Å; A725-T729 PolarHBondContact O-N 3.12Å; A725-T729 VanDerWaalsContact O-N 3.17Å; A725-T729 PolarHBondContact O-OG1 3.1Å; A725-L845 HydrophobicContact CB-CD1 4.02Å; A725-L849 HydrophobicContact CB-CB 4.24Å; A725-L849 HydrophobicContact CB-CD1 4.47Å |
| 726 | A | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.1 | -43.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | S581 C585 A600 F696 V722 L723 Y724 T729 A730 | S581-A726 PolarHBondContact OG-O 3.39Å; C585-A726 HydrophobicContact CB-CB 4.43Å; A600-A726 HydrophobicContact CB-CB 3.8Å; F696-A726 HydrophobicContact CD1-CB 4.41Å; F696-A726 HydrophobicContact CE1-CB 4.4Å; V722-A726 WeakPolarHBondContact O-CB 3.22Å; V722-A726 PolarHBondContact O-N 2.99Å; L723-A726 WeakPolarHBondContact O-CB 3.27Å; L723-A726 PolarHBondContact O-N 2.75Å; Y724-A726 VanDerWaalsContact C-N 3.3Å; Y724-A726 PolarHBondContact O-N 3.37Å; A726-T729 PolarHBondContact O-N 2.9Å; A726-T729 PolarHBondContact O-OG1 3.4Å; A726-A730 VanDerWaalsContact O-CB 3.24Å; A726-A730 WeakPolarHBondContact O-CB 3.26Å; A726-A730 PolarHBondContact O-N 3.32Å |
| 727 | V | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 15.4 Ų | 15.4 | 1% | 0.012 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.4 | -47.1 | 175.2 | 171.9 | 0 | 0 | 0 | 0 | 112.1 | V577 V685 M691 F696 L723 Y724 T729 A730 P732 | V577-V727 HydrophobicContact CG1-CB 4.32Å; V577-V727 HydrophobicContact CG1-CG1 3.91Å; V577-V727 HydrophobicContact CG1-CG2 4.31Å; V685-V727 HydrophobicContact CG1-CB 4.19Å; V685-V727 HydrophobicContact CG1-CG1 3.7Å; M691-V727 HydrophobicContact CE-CG2 3.82Å; M691-V727 HydrophobicContact SD-CG2 4.16Å; F696-V727 HydrophobicContact CE1-CG2 3.64Å; F696-V727 HydrophobicContact CZ-CG2 3.52Å; L723-V727 WeakPolarHBondContact O-CG2 3.44Å; L723-V727 PolarHBondContact O-N 3.35Å; Y724-V727 PolarHBondContact O-N 3.49Å; V727-T729 PolarHBondContact O-N 3.03Å; V727-T729 VanDerWaalsContact O-N 3.13Å; V727-A730 PolarHBondContact O-N 2.9Å; V727-P732 HydrophobicContact CG1-CB 3.75Å; V727-P732 HydrophobicContact CG1-CG 4.36Å; V727-P732 WeakPolarHBondContact O-CD 3.48Å; V727-P732 WeakPolarHBondContact O-CG 3.13Å |
| 728 | L | 97.9 | Very high | 97.3 | Very high | 22 Ų | 22 | 13 Ų | 13 | 12% | 0.115 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.9 | -20.4 | -179.5 | -72.2 | 174.6 | 0 | 0 | 0 | 113.4 | V685 L686 Y724 A725 F819 I842 L845 Y848 | V685-L728 HydrophobicContact CG1-CD2 3.88Å; V685-L728 HydrophobicContact CG1-CG 4.02Å; V685-L728 HydrophobicContact CG2-CD1 3.98Å; V685-L728 HydrophobicContact CG2-CD2 4.17Å; V685-L728 HydrophobicContact CG2-CG 4.04Å; L686-L728 HydrophobicContact CD2-CD2 4.5Å; Y724-L728 WeakPolarHBondContact O-CG 3.29Å; Y724-L728 PolarHBondContact O-N 3.08Å; A725-L728 PolarHBondContact O-N 3.15Å; L728-F819 HydrophobicContact CD2-CZ 4.24Å; L728-I842 HydrophobicContact CD2-CG2 3.87Å; L728-L845 HydrophobicContact CB-CD1 4.02Å; L728-L845 HydrophobicContact CD1-CD1 4.41Å; L728-Y848 HydrophobicContact CD1-CD2 3.69Å; L728-Y848 HydrophobicContact CD1-CE2 4.02Å |
| 729 | T | 97.9 | Very high | 97 | Very high | 6 Ų | 6 | 13.2 Ų | 13.2 | 4% | 0.037 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -0.2 | 177.5 | 53.2 | 0 | 0 | 0 | 0 | 113.8 | S581 N582 Q583 C585 A725 A726 V727 L845 | S581-T729 WeakPolarHBondContact CA-O 3.39Å; S581-T729 WeakPolarHBondContact CB-OG1 3.31Å; S581-T729 PolarHBondContact OG-OG1 3.03Å; N582-T729 PolarHBondContact N-O 2.71Å; N582-T729 WeakPolarHBondContact OD1-CB 3.49Å; Q583-T729 HydrophobicContact CG-CG2 4.03Å; C585-T729 PolarHBondContact SG-OG1 3.15Å; C585-T729 VanDerWaalsContact SG-OG1 3.32Å; A725-T729 WeakPolarHBondContact O-CG2 3.44Å; A725-T729 PolarHBondContact O-N 3.12Å; A725-T729 VanDerWaalsContact O-N 3.17Å; A725-T729 PolarHBondContact O-OG1 3.1Å; A726-T729 PolarHBondContact O-N 2.9Å; A726-T729 PolarHBondContact O-OG1 3.4Å; V727-T729 PolarHBondContact O-N 3.03Å; V727-T729 VanDerWaalsContact O-N 3.13Å; T729-L845 HydrophobicContact CG2-CD1 3.85Å; T729-L845 HydrophobicContact CG2-CD2 3.68Å; T729-L845 HydrophobicContact CG2-CG 4.44Å |
| 730 | A | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -111.7 | 28.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113 | V577 C578 E579 A600 A726 V727 | V577-A730 HydrophobicContact CB-CB 3.83Å; V577-A730 VanDerWaalsContact CB-O 3.28Å; V577-A730 WeakPolarHBondContact CB-O 3.31Å; V577-A730 HydrophobicContact CG1-CB 3.66Å; V577-A730 HydrophobicContact CG2-CB 4.43Å; C578-A730 PolarHBondContact N-O 3.12Å; E579-A730 PolarHBondContact N-O 2.78Å; E579-A730 VanDerWaalsContact O-CB 3.27Å; E579-A730 WeakPolarHBondContact O-CB 3.34Å; A600-A730 HydrophobicContact CB-CB 4.15Å; A726-A730 VanDerWaalsContact O-CB 3.24Å; A726-A730 WeakPolarHBondContact O-CB 3.26Å; A726-A730 PolarHBondContact O-N 3.32Å; V727-A730 PolarHBondContact O-N 2.9Å |
| 731 | S | 96.9 | Very high | 96.2 | Very high | 49 Ų | 49 | 12.3 Ų | 12.3 | 34% | 0.343 | 6% | 0.06 | S | C | . | . | trans | 52.2 | 65.3 | -178.3 | -59.7 | 0 | 0 | 0 | 0 | 113.1 | C578 | C578-S731 PolarHBondContact N-O 3.32Å; C578-S731 VanDerWaalsContact N-O 3.16Å | ||
| 732 | P | 97.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 9.6 Ų | 9.6 | 1% | 0.013 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 148.1 | -172.4 | 28.8 | -31.1 | 0 | 0 | 0 | 112.3 | T576 V577 L686 V727 P818 F819 | T576-P732 CarbonylContact O-C 3.57Å; T576-P732 WeakPolarHBondContact O-CA 3.41Å; V577-P732 HydrophobicContact CG1-CB 4.4Å; L686-P732 HydrophobicContact CD1-CB 4.13Å; L686-P732 HydrophobicContact CD2-CB 4.36Å; L686-P732 HydrophobicContact CD2-CG 4.12Å; L686-P732 HydrophobicContact CG-CB 4.42Å; V727-P732 HydrophobicContact CG1-CB 3.75Å; V727-P732 HydrophobicContact CG1-CG 4.36Å; V727-P732 WeakPolarHBondContact O-CD 3.48Å; V727-P732 WeakPolarHBondContact O-CG 3.13Å; P732-P818 WeakPolarHBondContact O-CG 3.38Å; P732-F819 HydrophobicContact CG-CE2 3.62Å; P732-F819 HydrophobicContact CG-CZ 3.83Å |
| 733 | R | 97.6 | Very high | 95 | Very high | 45 Ų | 45 | 9.6 Ų | 9.6 | 17% | 0.17 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 163 | -176.5 | -65.8 | -61 | 178.5 | -112.5 | 13 | 111.3 | T576 C578 I813 D817 | T576-R733 HydrophobicContact CG2-CB 4.01Å; T576-R733 PolarHBondContact N-O 3.11Å; T576-R733 PolarHBondContact O-N 3.45Å; C578-R733 HydrophobicContact CB-CG 4.45Å; C578-R733 WeakPolarHBondContact SG-CG 3.38Å; R733-I813 HydrophobicContact CB-CG2 4.26Å; R733-I813 HydrophobicContact CG-CG2 4.29Å; R733-D817 IonicContact CZ-OD1 3.49Å; R733-D817 IonicContact CZ-OD2 3.65Å; R733-D817 VanDerWaalsContact CZ-OD2 3.23Å; R733-D817 VanDerWaalsContact NH1-CG 3.26Å; R733-D817 IonicContact NH1-OD1 3.79Å; R733-D817 PolarHBondContact NH1-OD1 3.15Å; R733-D817 IonicContact NH1-OD2 2.95Å; R733-D817 PolarHBondContact NH1-OD2 2.75Å; R733-D817 IonicContact NH2-OD2 2.69Å; R733-D817 PolarHBondContact NH2-OD2 2.96Å |
| 734 | L | 97.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.005 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 136.6 | 168 | -65.5 | 179.9 | 0 | 0 | 0 | 109.7 | R574 E575 L686 L814 P825 V828 L829 | R574-L734 CarbonylContact O-C 3.49Å; R574-L734 WeakPolarHBondContact O-CA 3.42Å; E575-L734 HydrophobicContact CG-CD2 4.03Å; L686-L734 HydrophobicContact CD1-CD2 4.14Å; L734-L814 HydrophobicContact CB-CB 4.33Å; L734-L814 HydrophobicContact CB-CD2 4.39Å; L734-L814 HydrophobicContact CD1-CD2 4.47Å; L734-L814 WeakPolarHBondContact O-CB 3.19Å; L734-L814 PolarHBondContact O-N 3.1Å; L734-P825 HydrophobicContact CD1-CB 4.44Å; L734-V828 HydrophobicContact CD1-CB 4.34Å; L734-V828 HydrophobicContact CD1-CG1 4Å; L734-L829 HydrophobicContact CD1-CB 4.32Å |
| 735 | L | 96.7 | Very high | 93 | Very high | 13 Ų | 13 | 10.9 Ų | 10.9 | 7% | 0.068 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 130.6 | 166.4 | -61.6 | 171.2 | 0 | 0 | 0 | 109 | Y573 R574 T576 R692 W811 Q812 I813 | Y573-L735 WeakPolarHBondContact CA-O 3.3Å; Y573-L735 WeakPolarHBondContact CD1-O 3.35Å; R574-L735 HydrophobicContact CB-CB 4.1Å; R574-L735 HydrophobicContact CB-CD1 4.17Å; R574-L735 PolarHBondContact N-O 3.38Å; R574-L735 PolarHBondContact O-N 3.25Å; T576-L735 HydrophobicContact CG2-CD1 4.07Å; T576-L735 HydrophobicContact CG2-CD2 3.8Å; T576-L735 HydrophobicContact CG2-CG 3.66Å; R692-L735 HydrophobicContact CB-CD1 4.03Å; R692-L735 HydrophobicContact CG-CD1 4.07Å; L735-W811 HydrophobicContact CB-CB 4.32Å; L735-W811 HydrophobicContact CB-CE3 4.07Å; L735-W811 HydrophobicContact CD1-CB 4.26Å; L735-Q812 CarbonylContact C-O 3.53Å; L735-Q812 WeakPolarHBondContact CA-O 3.38Å; L735-I813 HydrophobicContact CD2-CB 4.49Å; L735-I813 HydrophobicContact CD2-CG1 3.83Å |
| 736 | E | 95.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 12.3 Ų | 12.3 | 1% | 0.009 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 143.5 | 168.7 | 70.4 | -172.1 | 148 | 0 | 0 | 110.1 | Y573 V738 R761 Q812 L814 P815 | Y573-E736 HydrophobicContact CD1-CB 4.04Å; Y573-E736 HydrophobicContact CE1-CB 3.75Å; E736-V738 HydrophobicContact CG-CG2 4.49Å; E736-R761 IonicContact OE1-CZ 3.65Å; E736-R761 IonicContact OE1-NH2 2.71Å; E736-R761 PolarHBondContact OE1-NH2 3.09Å; E736-R761 IonicContact OE2-CZ 3.05Å; E736-R761 IonicContact OE2-NH1 3.65Å; E736-R761 IonicContact OE2-NH2 2.97Å; E736-R761 PolarHBondContact OE2-NH2 3.27Å; E736-Q812 HydrophobicContact CG-CG 3.7Å; E736-Q812 PolarHBondContact N-O 3.27Å; E736-Q812 PolarHBondContact O-N 3.01Å; E736-Q812 PolarHBondContact OE1-NE2 3.01Å; E736-L814 HydrophobicContact CB-CB 4.37Å; E736-L814 HydrophobicContact CB-CD1 4.34Å; E736-L814 VanDerWaalsContact CD-CD1 3.46Å; E736-L814 HydrophobicContact CG-CB 4.48Å; E736-L814 HydrophobicContact CG-CD1 4.34Å; E736-L814 VanDerWaalsContact OE2-CD1 3.23Å; E736-L814 WeakPolarHBondContact OE2-CD1 3.28Å; E736-P815 WeakPolarHBondContact OE1-CD 3.41Å |
| 737 | P | 94 | Very high | 91.4 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 144.8 | 171.6 | 28.8 | -25.5 | 0 | 0 | 0 | 110.1 | V498 V571 V784 F808 W811 | V498-P737 HydrophobicContact CB-CB 4.28Å; V498-P737 HydrophobicContact CB-CG 4.22Å; V498-P737 HydrophobicContact CG1-CB 3.98Å; V498-P737 HydrophobicContact CG1-CG 4.39Å; V571-P737 VanDerWaalsContact CG1-CD 3.43Å; V571-P737 HydrophobicContact CG1-CG 3.24Å; P737-V784 HydrophobicContact CB-CB 4.48Å; P737-V784 HydrophobicContact CB-CG2 3.83Å; P737-V784 HydrophobicContact CG-CB 3.98Å; P737-V784 HydrophobicContact CG-CG2 3.88Å; P737-V784 VanDerWaalsContact O-CG2 3.29Å; P737-V784 WeakPolarHBondContact O-CG2 3.44Å; P737-V784 PolarHBondContact O-N 3.21Å; P737-F808 HydrophobicContact CB-CD2 3.95Å; P737-F808 HydrophobicContact CB-CE2 3.64Å; P737-W811 HydrophobicContact CB-CD2 4.49Å; P737-W811 HydrophobicContact CB-CE3 3.95Å; P737-W811 HydrophobicContact CB-CH2 3.91Å; P737-W811 HydrophobicContact CB-CZ2 4.45Å; P737-W811 HydrophobicContact CB-CZ3 3.64Å; P737-W811 HydrophobicContact CG-CE3 4.46Å; P737-W811 HydrophobicContact CG-CH2 4.13Å; P737-W811 HydrophobicContact CG-CZ3 3.79Å |
| 738 | V | 93.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 134 | -177.9 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | E736 Y781 D809 H810 Q812 | E736-V738 HydrophobicContact CG-CG2 4.49Å; V738-Y781 HydrophobicContact CG1-CD1 4.12Å; V738-Y781 HydrophobicContact CG1-CG 4.23Å; V738-D809 PolarHBondContact O-N 3.13Å; V738-H810 PolarHBondContact N-O 3.39Å; V738-Q812 HydrophobicContact CG2-CB 4.19Å; V738-Q812 HydrophobicContact CG2-CG 3.48Å; V738-Q812 VanDerWaalsContact CG2-CG 3.48Å |
| 739 | Y | 91.3 | Very high | 90.2 | Very high | 7 Ų | 7 | 22 Ų | 22 | 3% | 0.027 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 139.4 | 168.3 | -67.8 | -41.1 | 0 | 0 | 0 | 111.3 | V498 A543 Y781 L782 V784 S787 C806 V807 F808 | V498-Y739 HydrophobicContact CG2-CE1 4Å; V498-Y739 WeakPolarHBondContact CG2-OH 3.46Å; A543-Y739 PolarHBondContact O-OH 3.38Å; Y739-Y781 CarbonylContact O-C 3.49Å; Y739-Y781 WeakPolarHBondContact O-CA 3.2Å; Y739-L782 PolarHBondContact N-O 3.28Å; Y739-L782 PolarHBondContact O-N 3.29Å; Y739-V784 HydrophobicContact CD1-CG2 3.77Å; Y739-V784 HydrophobicContact CD2-CB 4.37Å; Y739-V784 HydrophobicContact CD2-CG2 3.84Å; Y739-V784 HydrophobicContact CE1-CG2 3.64Å; Y739-V784 HydrophobicContact CE2-CB 4.05Å; Y739-V784 HydrophobicContact CE2-CG1 3.75Å; Y739-V784 HydrophobicContact CE2-CG2 3.72Å; Y739-V784 HydrophobicContact CG-CG2 3.86Å; Y739-S787 WeakPolarHBondContact CE2-OG 3.21Å; Y739-C806 HydrophobicContact CD1-CB 4.24Å; Y739-C806 HydrophobicContact CD2-CB 3.57Å; Y739-C806 HydrophobicContact CE2-CB 4.01Å; Y739-C806 HydrophobicContact CG-CB 3.71Å; Y739-V807 CarbonylContact C-O 3.57Å; Y739-V807 WeakPolarHBondContact CA-O 3.46Å; Y739-F808 HydrophobicContact CD1-CB 4.4Å; Y739-F808 HydrophobicContact CE1-CB 4.39Å |
| 740 | L | 89.6 | Confident | 89.7 | Confident | 36 Ų | 36 | 22.3 Ų | 22.3 | 19% | 0.188 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 120 | 150.9 | 178.2 | 65.5 | 0 | 0 | 0 | 107.6 | I765 K779 Y781 V807 D809 | L740-I765 HydrophobicContact CD1-CD1 3.79Å; L740-K779 HydrophobicContact CD1-CB 4.41Å; L740-Y781 HydrophobicContact CD1-CD1 4.39Å; L740-Y781 HydrophobicContact CD1-CE1 4.17Å; L740-V807 PolarHBondContact N-O 3.07Å; L740-V807 PolarHBondContact O-N 2.75Å; L740-D809 HydrophobicContact CB-CB 3.79Å |
| 741 | V | 89.1 | Confident | 89.3 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 123.9 | -179.9 | -174.7 | 0 | 0 | 0 | 0 | 109 | I743 K779 A780 L782 F790 P804 Q805 | V741-I743 HydrophobicContact CG1-CD1 3.95Å; V741-I743 HydrophobicContact CG1-CG1 3.75Å; V741-K779 CarbonylContact O-C 3.57Å; V741-K779 VanDerWaalsContact O-CA 3.25Å; V741-K779 WeakPolarHBondContact O-CA 3.46Å; V741-A780 PolarHBondContact N-O 3.41Å; V741-A780 PolarHBondContact O-N 2.87Å; V741-L782 HydrophobicContact CG2-CB 3.42Å; V741-L782 VanDerWaalsContact CG2-CB 3.42Å; V741-L782 HydrophobicContact CG2-CD2 3.86Å; V741-L782 HydrophobicContact CG2-CG 4.29Å; V741-F790 HydrophobicContact CG1-CE1 3.66Å; V741-F790 HydrophobicContact CG1-CZ 4.16Å; V741-P804 HydrophobicContact CG1-CB 4.02Å; V741-Q805 CarbonylContact C-O 3.51Å; V741-Q805 VanDerWaalsContact CA-O 3.23Å; V741-Q805 WeakPolarHBondContact CA-O 3.37Å |
| 742 | E | 83.7 | Confident | 89.1 | Confident | 11 Ų | 11 | 23.5 Ų | 23.5 | 5% | 0.051 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 135.2 | 168 | 178.4 | 165.7 | 96.1 | 0 | 0 | 110.1 | V149 I777 V778 K779 P804 Q805 | V149-E742 HydrophobicContact CB-CB 4.41Å; V149-E742 WeakPolarHBondContact CB-OE1 3.34Å; V149-E742 HydrophobicContact CG2-CB 4.43Å; V149-E742 VanDerWaalsContact CG2-CD 3.41Å; V149-E742 HydrophobicContact CG2-CG 4.5Å; V149-E742 WeakPolarHBondContact CG2-OE2 3.27Å; V149-E742 PolarHBondContact N-OE1 2.63Å; E742-I777 HydrophobicContact CG-CG2 3.8Å; E742-I777 WeakPolarHBondContact OE2-CG2 3.33Å; E742-V778 WeakPolarHBondContact CA-O 3.47Å; E742-K779 WeakPolarHBondContact OE2-CE 3.46Å; E742-P804 CarbonylContact O-C 3.59Å; E742-P804 WeakPolarHBondContact O-CA 3.38Å; E742-Q805 PolarHBondContact N-O 3.39Å; E742-Q805 PolarHBondContact O-N 3.41Å |
| 743 | I | 85.7 | Confident | 88.7 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 118.5 | -178.8 | -50.3 | 170.3 | 0 | 0 | 0 | 108.5 | V741 I753 L757 I777 V778 F790 L794 A802 P804 | V741-I743 HydrophobicContact CG1-CD1 3.95Å; V741-I743 HydrophobicContact CG1-CG1 3.75Å; I743-I753 HydrophobicContact CB-CD1 4.18Å; I743-I753 HydrophobicContact CD1-CG2 3.49Å; I743-I753 VanDerWaalsContact CD1-CG2 3.49Å; I743-I753 HydrophobicContact CG2-CD1 3.5Å; I743-I753 HydrophobicContact CG2-CG1 4.22Å; I743-L757 HydrophobicContact CD1-CD1 4.47Å; I743-I777 WeakPolarHBondContact O-CA 3.28Å; I743-V778 PolarHBondContact N-O 3.48Å; I743-V778 PolarHBondContact O-N 3.36Å; I743-F790 HydrophobicContact CD1-CE1 4.37Å; I743-F790 HydrophobicContact CD1-CZ 3.86Å; I743-L794 HydrophobicContact CD1-CD1 4.27Å; I743-L794 HydrophobicContact CD1-CD2 3.96Å; I743-L794 HydrophobicContact CG1-CD2 4.26Å; I743-L794 HydrophobicContact CG2-CD2 3.85Å; I743-A802 HydrophobicContact CG2-CB 3.75Å; I743-P804 HydrophobicContact CG1-CB 4.08Å |
| 744 | Q | 76.9 | Confident | 88.5 | Confident | 31 Ų | 31 | 24.8 Ų | 24.8 | 15% | 0.145 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 131.7 | 170.6 | -161.9 | -171.1 | 3.2 | 0 | 0 | 109.5 | S145 M775 F776 I777 | S145-Q744 VanDerWaalsContact CB-NE2 3.35Å; S145-Q744 PolarHBondContact OG-NE2 3.31Å; S145-Q744 PolarHBondContact OG-OE1 2.9Å; Q744-M775 HydrophobicContact CG-CE 3.83Å; Q744-F776 WeakPolarHBondContact CA-O 3.36Å; Q744-I777 HydrophobicContact CG-CG1 4.25Å |
| 745 | C | 79.5 | Confident | 88.3 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 163.6 | -179.9 | 70.2 | 0 | 0 | 0 | 0 | 112.2 | A749 I753 M775 F776 A802 | C745-A749 HydrophobicContact CB-CB 4.01Å; C745-I753 HydrophobicContact CB-CD1 3.77Å; C745-I753 WeakPolarHBondContact SG-CD1 3.42Å; C745-M775 VanDerWaalsContact C-CE 3.47Å; C745-M775 CarbonylContact O-C 3.6Å; C745-M775 WeakPolarHBondContact O-CA 3.46Å; C745-F776 PolarHBondContact N-O 3.34Å; C745-F776 PolarHBondContact O-N 3.07Å; C745-A802 HydrophobicContact CB-CB 3.85Å |
| 746 | P | 78.5 | Confident | 88.2 | Confident | 29 Ų | 29 | 25.8 Ų | 25.8 | 19% | 0.188 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 154.7 | 165.4 | -17.7 | 32.3 | 0 | 0 | 0 | 111.8 | S748 A749 P774 M775 Q801 | P746-S748 PolarHBondContact O-N 3.09Å; P746-S748 VanDerWaalsContact O-N 3.09Å; P746-A749 WeakPolarHBondContact O-CB 3.5Å; P746-A749 PolarHBondContact O-N 2.88Å; P746-P774 WeakPolarHBondContact CA-O 3.25Å; P746-M775 HydrophobicContact CB-SD 4.41Å; P746-M775 HydrophobicContact CG-CE 4.5Å; P746-M775 HydrophobicContact CG-SD 4.05Å; P746-Q801 HydrophobicContact CG-CB 4.18Å |
| 747 | E | 83.4 | Confident | 88.1 | Confident | 122 Ų | 122 | 25.7 Ų | 25.7 | 57% | 0.57 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -47.7 | -41.3 | 176.9 | -168.1 | 173.9 | 175.7 | 0 | 0 | 113.5 | A749 V750 P774 F776 | E747-A749 PolarHBondContact O-N 3.5Å; E747-A749 VanDerWaalsContact O-N 3.12Å; E747-V750 WeakPolarHBondContact O-CG2 3.2Å; E747-V750 PolarHBondContact O-N 3.33Å; E747-P774 PolarHBondContact N-O 3.19Å; E747-F776 HydrophobicContact CB-CD2 3.77Å; E747-F776 HydrophobicContact CB-CE2 3.45Å; E747-F776 VanDerWaalsContact CB-CE2 3.45Å; E747-F776 HydrophobicContact CB-CZ 4.36Å; E747-F776 HydrophobicContact CG-CD2 4.14Å; E747-F776 HydrophobicContact CG-CE2 3.46Å; E747-F776 VanDerWaalsContact CG-CE2 3.46Å; E747-F776 HydrophobicContact CG-CZ 3.88Å |
| 748 | S | 84.3 | Confident | 88.1 | Confident | 101 Ų | 101 | 31 Ų | 31 | 71% | 0.706 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -61.8 | -21.3 | 179.9 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | P746 | P746-S748 PolarHBondContact O-N 3.09Å; P746-S748 VanDerWaalsContact O-N 3.09Å |
| 749 | A | 86.6 | Confident | 88.1 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -96.4 | -13.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | C745 P746 E747 G751 G752 I753 T798 Q801 | C745-A749 HydrophobicContact CB-CB 4.01Å; P746-A749 WeakPolarHBondContact O-CB 3.5Å; P746-A749 PolarHBondContact O-N 2.88Å; E747-A749 PolarHBondContact O-N 3.5Å; E747-A749 VanDerWaalsContact O-N 3.12Å; A749-G751 VanDerWaalsContact C-N 3.33Å; A749-G751 PolarHBondContact O-N 3.45Å; A749-G752 PolarHBondContact O-N 3.45Å; A749-I753 PolarHBondContact O-N 3.16Å; A749-T798 HydrophobicContact CB-CG2 4.09Å; A749-Q801 HydrophobicContact CB-CB 4.42Å |
| 750 | V | 88.3 | Confident | 88.2 | Confident | 12 Ų | 12 | 40.1 Ų | 40.1 | 7% | 0.073 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.9 | -45.1 | -175.6 | 175.6 | 0 | 0 | 0 | 0 | 111.7 | E747 G752 I753 Y754 F776 V778 | E747-V750 WeakPolarHBondContact O-CG2 3.2Å; E747-V750 PolarHBondContact O-N 3.33Å; V750-G752 VanDerWaalsContact C-N 3.26Å; V750-G752 PolarHBondContact O-N 3.07Å; V750-I753 VanDerWaalsContact O-CB 3.31Å; V750-I753 WeakPolarHBondContact O-CB 3.48Å; V750-I753 PolarHBondContact O-N 3.3Å; V750-Y754 HydrophobicContact CG1-CD2 3.83Å; V750-Y754 HydrophobicContact CG1-CE2 3.6Å; V750-Y754 WeakPolarHBondContact O-CD2 3.36Å; V750-Y754 PolarHBondContact O-N 2.89Å; V750-F776 HydrophobicContact CG2-CB 3.75Å; V750-F776 HydrophobicContact CG2-CD1 4.26Å; V750-F776 HydrophobicContact CG2-CD2 4.34Å; V750-F776 HydrophobicContact CG2-CG 3.87Å; V750-V778 HydrophobicContact CG1-CG2 4.5Å |
| 751 | G | 90.1 | Very high | 88.4 | Confident | 56 Ų | 56 | 42.4 Ų | 42.4 | 58% | 0.577 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -58.9 | -35.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A749 I753 G755 | A749-G751 VanDerWaalsContact C-N 3.33Å; A749-G751 PolarHBondContact O-N 3.45Å; G751-I753 VanDerWaalsContact C-N 3.33Å; G751-G755 PolarHBondContact O-N 2.92Å |
| 752 | G | 90.6 | Very high | 88.7 | Confident | 19 Ų | 19 | 42.7 Ų | 42.7 | 20% | 0.196 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.9 | -35.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A749 V750 G755 V756 | A749-G752 PolarHBondContact O-N 3.45Å; V750-G752 VanDerWaalsContact C-N 3.26Å; V750-G752 PolarHBondContact O-N 3.07Å; G752-G755 PolarHBondContact O-N 2.81Å; G752-V756 VanDerWaalsContact O-CG2 3.3Å; G752-V756 WeakPolarHBondContact O-CG2 3.42Å; G752-V756 PolarHBondContact O-N 3.42Å |
| 753 | I | 90.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.5 | -51.3 | 176.7 | -61.2 | 175.1 | 0 | 0 | 0 | 110.9 | I743 C745 A749 V750 G751 G755 V756 L757 V778 L794 T798 A802 | I743-I753 HydrophobicContact CB-CD1 4.18Å; I743-I753 HydrophobicContact CD1-CG2 3.49Å; I743-I753 VanDerWaalsContact CD1-CG2 3.49Å; I743-I753 HydrophobicContact CG2-CD1 3.5Å; I743-I753 HydrophobicContact CG2-CG1 4.22Å; C745-I753 HydrophobicContact CB-CD1 3.77Å; C745-I753 WeakPolarHBondContact SG-CD1 3.42Å; A749-I753 PolarHBondContact O-N 3.16Å; V750-I753 VanDerWaalsContact O-CB 3.31Å; V750-I753 WeakPolarHBondContact O-CB 3.48Å; V750-I753 PolarHBondContact O-N 3.3Å; G751-I753 VanDerWaalsContact C-N 3.33Å; I753-G755 VanDerWaalsContact C-N 3.27Å; I753-G755 PolarHBondContact O-N 2.99Å; I753-V756 PolarHBondContact O-N 3.14Å; I753-V756 VanDerWaalsContact O-N 3.11Å; I753-L757 HydrophobicContact CG2-CD1 3.71Å; I753-L757 HydrophobicContact CG2-CG 4.24Å; I753-L757 PolarHBondContact O-N 3.18Å; I753-V778 HydrophobicContact CD1-CG2 4.31Å; I753-V778 HydrophobicContact CG2-CG1 4.26Å; I753-L794 HydrophobicContact CB-CD1 4.3Å; I753-L794 HydrophobicContact CG1-CD1 3.94Å; I753-L794 HydrophobicContact CG2-CD1 4.33Å; I753-T798 HydrophobicContact CG1-CG2 3.99Å; I753-A802 HydrophobicContact CD1-CB 4.24Å; I753-A802 HydrophobicContact CG1-CB 4.41Å |
| 754 | Y | 93.5 | Very high | 89.6 | Confident | 74 Ų | 74 | 49.5 Ų | 49.5 | 29% | 0.29 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -56.5 | -42.8 | 177.9 | -84.3 | -87.2 | 0 | 0 | 0 | 112 | V750 V756 L757 N758 V764 E767 | V750-Y754 HydrophobicContact CG1-CD2 3.83Å; V750-Y754 HydrophobicContact CG1-CE2 3.6Å; V750-Y754 WeakPolarHBondContact O-CD2 3.36Å; V750-Y754 PolarHBondContact O-N 2.89Å; Y754-V756 VanDerWaalsContact C-N 3.33Å; Y754-V756 PolarHBondContact O-N 3.03Å; Y754-L757 PolarHBondContact O-N 2.92Å; Y754-N758 WeakPolarHBondContact O-CB 3.44Å; Y754-N758 VanDerWaalsContact O-CG 3.31Å; Y754-N758 PolarHBondContact O-N 2.81Å; Y754-N758 PolarHBondContact O-ND2 3.12Å; Y754-V764 HydrophobicContact CD1-CG2 3.87Å; Y754-V764 HydrophobicContact CE1-CB 3.9Å; Y754-V764 HydrophobicContact CE1-CG1 4.09Å; Y754-V764 HydrophobicContact CE1-CG2 3.57Å; Y754-E767 WeakPolarHBondContact CE2-OE2 3.35Å; Y754-E767 VanDerWaalsContact CZ-OE2 3.26Å; Y754-E767 PolarHBondContact OH-OE2 3.37Å |
| 755 | G | 92.8 | Very high | 90.3 | Very high | 35 Ų | 35 | 51.4 Ų | 51.4 | 36% | 0.361 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.6 | -37.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G751 G752 I753 R759 | G751-G755 PolarHBondContact O-N 2.92Å; G752-G755 PolarHBondContact O-N 2.81Å; I753-G755 VanDerWaalsContact C-N 3.27Å; I753-G755 PolarHBondContact O-N 2.99Å; G755-R759 VanDerWaalsContact O-CG 3.28Å; G755-R759 WeakPolarHBondContact O-CG 3.19Å; G755-R759 PolarHBondContact O-NE 3.37Å; G755-R759 VanDerWaalsContact O-NE 3.11Å |
| 756 | V | 93.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -74.2 | -46.3 | 176.9 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | G752 I753 Y754 R759 R760 F790 D793 L794 N797 | G752-V756 VanDerWaalsContact O-CG2 3.3Å; G752-V756 WeakPolarHBondContact O-CG2 3.42Å; G752-V756 PolarHBondContact O-N 3.42Å; I753-V756 PolarHBondContact O-N 3.14Å; I753-V756 VanDerWaalsContact O-N 3.11Å; Y754-V756 VanDerWaalsContact C-N 3.33Å; Y754-V756 PolarHBondContact O-N 3.03Å; V756-R759 PolarHBondContact O-N 2.56Å; V756-R760 PolarHBondContact O-N 3.04Å; V756-F790 HydrophobicContact CB-CE2 4.46Å; V756-F790 HydrophobicContact CG1-CD2 3.7Å; V756-F790 HydrophobicContact CG1-CE2 3.57Å; V756-D793 HydrophobicContact CG1-CB 4.27Å; V756-L794 HydrophobicContact CB-CD1 4.32Å; V756-L794 HydrophobicContact CG2-CD1 4.43Å; V756-N797 HydrophobicContact CG2-CB 3.67Å |
| 757 | L | 94.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60 | -49.9 | 179.7 | -74.1 | 172.4 | 0 | 0 | 0 | 111.5 | I743 I753 Y754 R759 R760 R761 G762 V764 V778 A780 F790 | I743-L757 HydrophobicContact CD1-CD1 4.47Å; I753-L757 HydrophobicContact CG2-CD1 3.71Å; I753-L757 HydrophobicContact CG2-CG 4.24Å; I753-L757 PolarHBondContact O-N 3.18Å; Y754-L757 PolarHBondContact O-N 2.92Å; L757-R759 VanDerWaalsContact C-N 3.31Å; L757-R759 PolarHBondContact O-N 3.36Å; L757-R760 CarbonylContact O-C 3.47Å; L757-R760 WeakPolarHBondContact O-CA 3.33Å; L757-R760 PolarHBondContact O-N 2.84Å; L757-R761 PolarHBondContact O-N 3.18Å; L757-G762 WeakPolarHBondContact O-CA 3.35Å; L757-G762 PolarHBondContact O-N 2.94Å; L757-V764 HydrophobicContact CD1-CG2 3.62Å; L757-V778 HydrophobicContact CD1-CG1 4.49Å; L757-A780 HydrophobicContact CD1-CB 3.6Å; L757-A780 HydrophobicContact CD2-CB 4.02Å; L757-A780 HydrophobicContact CG-CB 4.46Å; L757-F790 HydrophobicContact CD2-CE2 3.94Å; L757-F790 HydrophobicContact CD2-CZ 3.76Å; L757-F790 HydrophobicContact CG-CZ 4.48Å |
| 758 | N | 93.5 | Very high | 91.6 | Very high | 111 Ų | 111 | 56.2 Ų | 56.2 | 59% | 0.594 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59.3 | -40.3 | -179 | -75.9 | -23 | 0 | 0 | 0 | 112.6 | Y754 R760 R761 | Y754-N758 WeakPolarHBondContact O-CB 3.44Å; Y754-N758 VanDerWaalsContact O-CG 3.31Å; Y754-N758 PolarHBondContact O-N 2.81Å; Y754-N758 PolarHBondContact O-ND2 3.12Å; N758-R760 PolarHBondContact O-N 3.29Å; N758-R761 PolarHBondContact O-N 3.39Å |
| 759 | R | 94.3 | Very high | 91.4 | Very high | 152 Ų | 152 | 56.8 Ų | 56.8 | 57% | 0.574 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64 | -24.6 | 176.4 | -73.7 | -175.8 | -61.1 | 155.2 | 11 | 113 | G755 V756 L757 D793 | G755-R759 VanDerWaalsContact O-CG 3.28Å; G755-R759 WeakPolarHBondContact O-CG 3.19Å; G755-R759 PolarHBondContact O-NE 3.37Å; G755-R759 VanDerWaalsContact O-NE 3.11Å; V756-R759 PolarHBondContact O-N 2.56Å; L757-R759 VanDerWaalsContact C-N 3.31Å; L757-R759 PolarHBondContact O-N 3.36Å; R759-D793 IonicContact NH2-OD1 3.25Å; R759-D793 PolarHBondContact NH2-OD1 3.08Å; R759-D793 IonicContact NH2-OD2 3.5Å; R759-D793 PolarHBondContact NH2-OD2 2.84Å |
| 760 | R | 93.7 | Very high | 90.6 | Very high | 48 Ų | 48 | 57.4 Ų | 57.4 | 18% | 0.181 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 22.1 | -175.9 | -70.3 | 177.2 | 177.4 | -88.1 | -1.5 | 112.8 | V756 L757 N758 G762 L782 E786 F788 D793 | V756-R760 PolarHBondContact O-N 3.04Å; L757-R760 CarbonylContact O-C 3.47Å; L757-R760 WeakPolarHBondContact O-CA 3.33Å; L757-R760 PolarHBondContact O-N 2.84Å; N758-R760 PolarHBondContact O-N 3.29Å; R760-G762 PolarHBondContact O-N 3.48Å; R760-G762 VanDerWaalsContact O-N 3.08Å; R760-L782 HydrophobicContact CB-CD1 3.91Å; R760-L782 WeakPolarHBondContact O-CD1 3.21Å; R760-E786 HydrophobicContact CB-CB 4.03Å; R760-E786 WeakPolarHBondContact CD-O 3.42Å; R760-E786 PolarHBondContact NH1-O 3.44Å; R760-E786 WeakPolarHBondContact O-CB 3.23Å; R760-E786 VanDerWaalsContact O-CG 3.29Å; R760-E786 WeakPolarHBondContact O-CG 3.37Å; R760-F788 PolarHBondContact NH1-O 3.4Å; R760-D793 IonicContact CZ-OD2 2.63Å; R760-D793 IonicContact NE-OD2 3.66Å; R760-D793 PolarHBondContact NE-OD2 2.82Å; R760-D793 IonicContact NH2-OD2 2.77Å; R760-D793 PolarHBondContact NH2-OD2 3.19Å |
| 761 | R | 94.1 | Very high | 89.6 | Confident | 85 Ų | 85 | 59.4 Ų | 59.4 | 32% | 0.321 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 24.3 | -175.7 | -57.3 | 171.5 | 25.7 | 178.1 | -19.3 | 114.1 | E736 L757 N758 P783 E786 | E736-R761 IonicContact OE1-CZ 3.65Å; E736-R761 IonicContact OE1-NH2 2.71Å; E736-R761 PolarHBondContact OE1-NH2 3.09Å; E736-R761 IonicContact OE2-CZ 3.05Å; E736-R761 IonicContact OE2-NH1 3.65Å; E736-R761 IonicContact OE2-NH2 2.97Å; E736-R761 PolarHBondContact OE2-NH2 3.27Å; L757-R761 PolarHBondContact O-N 3.18Å; N758-R761 PolarHBondContact O-N 3.39Å; R761-P783 HydrophobicContact CB-CG 4.36Å; R761-P783 VanDerWaalsContact NH2-CG 3.26Å; R761-E786 HydrophobicContact CB-CG 4.5Å |
| 762 | G | 94.3 | Very high | 88.2 | Confident | 6 Ų | 6 | 59.7 Ų | 59.7 | 6% | 0.062 | 32% | 0.317 | C | S | . | . | trans | -72.9 | 143.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L757 R760 Y781 | L757-G762 WeakPolarHBondContact O-CA 3.35Å; L757-G762 PolarHBondContact O-N 2.94Å; R760-G762 PolarHBondContact O-N 3.48Å; R760-G762 VanDerWaalsContact O-N 3.08Å; G762-Y781 CarbonylContact C-O 3.59Å; G762-Y781 WeakPolarHBondContact CA-O 3.37Å | ||
| 763 | H | 93.8 | Very high | 87 | Confident | 126 Ų | 126 | 59.3 Ų | 59.3 | 58% | 0.583 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 114.7 | 178.5 | -177.7 | 66.8 | 0 | 0 | 0 | 109.8 | A780 Y781 | H763-A780 CarbonylContact O-C 3.44Å; H763-A780 WeakPolarHBondContact O-CA 3.41Å; H763-A780 WeakPolarHBondContact O-CB 3.49Å; H763-Y781 PolarHBondContact N-O 3.4Å; H763-Y781 PolarHBondContact O-N 2.84Å |
| 764 | V | 94.4 | Very high | 86 | Confident | 28 Ų | 28 | 62.9 Ų | 62.9 | 17% | 0.17 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 129.3 | 177.4 | 178.8 | 0 | 0 | 0 | 0 | 109.6 | Y754 L757 V778 A780 | Y754-V764 HydrophobicContact CD1-CG2 3.87Å; Y754-V764 HydrophobicContact CE1-CB 3.9Å; Y754-V764 HydrophobicContact CE1-CG1 4.09Å; Y754-V764 HydrophobicContact CE1-CG2 3.57Å; L757-V764 HydrophobicContact CD1-CG2 3.62Å; V764-V778 HydrophobicContact CG1-CG1 3.93Å; V764-V778 HydrophobicContact CG2-CG1 4.14Å; V764-A780 HydrophobicContact CG2-CB 4.22Å |
| 765 | I | 92.9 | Very high | 85.3 | Confident | 70 Ų | 70 | 61.1 Ų | 61.1 | 36% | 0.359 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -43.5 | -177.7 | -47.6 | 156.3 | 0 | 0 | 0 | 109.6 | L740 K779 Y781 | L740-I765 HydrophobicContact CD1-CD1 3.79Å; I765-K779 PolarHBondContact N-O 2.74Å; I765-Y781 HydrophobicContact CD1-CD1 3.68Å; I765-Y781 HydrophobicContact CD1-CD2 3.49Å; I765-Y781 VanDerWaalsContact CD1-CD2 3.49Å; I765-Y781 HydrophobicContact CD1-CE1 3.53Å; I765-Y781 HydrophobicContact CD1-CE2 3.35Å; I765-Y781 HydrophobicContact CD1-CG 3.64Å; I765-Y781 HydrophobicContact CG1-CD2 3.69Å; I765-Y781 HydrophobicContact CG1-CE2 3.71Å; I765-Y781 HydrophobicContact CG1-CG 4.2Å |
| 766 | E | 90.7 | Very high | 84.8 | Confident | 83 Ų | 83 | 60.4 Ų | 60.4 | 39% | 0.388 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 142.2 | -177.1 | -58.9 | -178.4 | 164.5 | 0 | 0 | 110.6 | V778 K779 | E766-V778 WeakPolarHBondContact O-CA 3.44Å; E766-K779 HydrophobicContact CB-CB 4.24Å; E766-K779 PolarHBondContact N-O 2.99Å; E766-K779 PolarHBondContact O-N 3.5Å; E766-K779 WeakPolarHBondContact OE2-CD 3.45Å; E766-K779 IonicContact OE2-NZ 2.95Å; E766-K779 PolarHBondContact OE2-NZ 2.95Å |
| 767 | E | 90.9 | Very high | 84.3 | Confident | 78 Ų | 78 | 61.5 Ų | 61.5 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 115 | 167.5 | 176.9 | -174.9 | 153.3 | 0 | 0 | 107.8 | Y754 F776 I777 V778 | Y754-E767 WeakPolarHBondContact CE2-OE2 3.35Å; Y754-E767 VanDerWaalsContact CZ-OE2 3.26Å; Y754-E767 PolarHBondContact OH-OE2 3.37Å; E767-F776 HydrophobicContact CG-CD1 3.98Å; E767-I777 WeakPolarHBondContact CA-O 3.48Å; E767-V778 HydrophobicContact CG-CG2 4.34Å |
| 768 | N | 85.6 | Confident | 84.1 | Confident | 92 Ų | 92 | 61.5 Ų | 61.5 | 49% | 0.492 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 129.3 | -178.2 | -69.3 | -49 | 0 | 0 | 0 | 110.4 | F776 I777 | N768-F776 WeakPolarHBondContact O-CA 3.27Å; N768-I777 PolarHBondContact N-O 2.97Å; N768-I777 PolarHBondContact O-N 2.77Å |
| 769 | Q | 80 | Confident | 84 | Confident | 112 Ų | 112 | 58.6 Ų | 58.6 | 52% | 0.523 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 130.9 | 166.9 | -171.6 | 177.5 | 21.5 | 0 | 0 | 109.6 | A771 F776 | Q769-A771 PolarHBondContact O-N 3.07Å; Q769-A771 VanDerWaalsContact O-N 3.09Å; Q769-F776 HydrophobicContact CB-CD1 4.25Å; Q769-F776 HydrophobicContact CB-CE1 3.86Å; Q769-F776 HydrophobicContact CB-CE2 4.23Å; Q769-F776 HydrophobicContact CB-CZ 3.85Å; Q769-F776 HydrophobicContact CG-CD2 4.32Å; Q769-F776 HydrophobicContact CG-CE1 4.36Å; Q769-F776 HydrophobicContact CG-CE2 3.82Å; Q769-F776 HydrophobicContact CG-CZ 3.85Å |
| 770 | V | 70.9 | Confident | 84 | Confident | 18 Ų | 18 | 51.4 Ų | 51.4 | 11% | 0.109 | 28% | 0.277 | C | S | . | . | trans | -76.4 | 99.3 | 173.1 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | G772 T773 M775 I777 | V770-G772 PolarHBondContact O-N 3.23Å; V770-T773 WeakPolarHBondContact CB-OG1 3.3Å; V770-T773 HydrophobicContact CG1-CG2 4.37Å; V770-T773 WeakPolarHBondContact CG1-OG1 3.23Å; V770-T773 PolarHBondContact O-N 2.79Å; V770-T773 VanDerWaalsContact O-O 3.08Å; V770-T773 PolarHBondContact O-OG1 2.85Å; V770-M775 HydrophobicContact CB-CB 4.25Å; V770-M775 HydrophobicContact CG2-CB 4.28Å; V770-M775 PolarHBondContact N-O 2.97Å; V770-I777 HydrophobicContact CG2-CD1 3.64Å; V770-I777 HydrophobicContact CG2-CG1 3.64Å | ||
| 771 | A | 66.3 | Low | 84.1 | Confident | 54 Ų | 54 | 52.8 Ų | 52.8 | 45% | 0.446 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | 132.2 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | R192 Q769 T773 | R192-A771 PolarHBondContact NH1-O 3.46Å; R192-A771 PolarHBondContact NH2-O 3.31Å; Q769-A771 PolarHBondContact O-N 3.07Å; Q769-A771 VanDerWaalsContact O-N 3.09Å; A771-T773 VanDerWaalsContact C-N 3.28Å; A771-T773 PolarHBondContact O-N 3.29Å |
| 772 | G | 61.1 | Low | 84.1 | Confident | 63 Ų | 63 | 48.8 Ų | 48.8 | 65% | 0.649 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 3.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | V770 | V770-G772 PolarHBondContact O-N 3.23Š|
| 773 | T | 65.8 | Low | 84.2 | Confident | 11 Ų | 11 | 48.7 Ų | 48.7 | 7% | 0.067 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -133.7 | 157.4 | 173.8 | 74.9 | 0 | 0 | 0 | 0 | 110.4 | V144 V770 A771 M775 | V144-T773 HydrophobicContact CG1-CG2 4.47Å; V770-T773 WeakPolarHBondContact CB-OG1 3.3Å; V770-T773 HydrophobicContact CG1-CG2 4.37Å; V770-T773 WeakPolarHBondContact CG1-OG1 3.23Å; V770-T773 PolarHBondContact O-N 2.79Å; V770-T773 VanDerWaalsContact O-O 3.08Å; V770-T773 PolarHBondContact O-OG1 2.85Å; A771-T773 VanDerWaalsContact C-N 3.28Å; A771-T773 PolarHBondContact O-N 3.29Å; T773-M775 PolarHBondContact O-N 3.21Å; T773-M775 VanDerWaalsContact O-N 3.14Å; T773-M775 WeakPolarHBondContact OG1-CB 3.43Å; T773-M775 PolarHBondContact OG1-N 3.28Å |
| 774 | P | 70.6 | Confident | 84.1 | Confident | 74 Ų | 74 | 42.7 Ų | 42.7 | 48% | 0.481 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -76.7 | 13.7 | 172.8 | 33.5 | -36.6 | 0 | 0 | 0 | 113.1 | P746 E747 | P746-P774 WeakPolarHBondContact CA-O 3.25Å; E747-P774 PolarHBondContact N-O 3.19Å |
| 775 | M | 77.6 | Confident | 84 | Confident | 38 Ų | 38 | 43.9 Ų | 43.9 | 19% | 0.187 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 148.4 | -174.3 | -57.1 | -64.2 | -67.1 | 0 | 0 | 111.2 | Q744 C745 P746 V770 T773 | Q744-M775 HydrophobicContact CG-CE 3.83Å; C745-M775 VanDerWaalsContact C-CE 3.47Å; C745-M775 CarbonylContact O-C 3.6Å; C745-M775 WeakPolarHBondContact O-CA 3.46Å; P746-M775 HydrophobicContact CB-SD 4.41Å; P746-M775 HydrophobicContact CG-CE 4.5Å; P746-M775 HydrophobicContact CG-SD 4.05Å; V770-M775 HydrophobicContact CB-CB 4.25Å; V770-M775 HydrophobicContact CG2-CB 4.28Å; V770-M775 PolarHBondContact N-O 2.97Å; T773-M775 PolarHBondContact O-N 3.21Å; T773-M775 VanDerWaalsContact O-N 3.14Å; T773-M775 WeakPolarHBondContact OG1-CB 3.43Å; T773-M775 PolarHBondContact OG1-N 3.28Å |
| 776 | F | 82.6 | Confident | 84 | Confident | 19 Ų | 19 | 42.3 Ų | 42.3 | 8% | 0.083 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 145 | 174.8 | -78.8 | -108.4 | 0 | 0 | 0 | 109.2 | Q744 C745 E747 V750 E767 N768 Q769 | Q744-F776 WeakPolarHBondContact CA-O 3.36Å; C745-F776 PolarHBondContact N-O 3.34Å; C745-F776 PolarHBondContact O-N 3.07Å; E747-F776 HydrophobicContact CB-CD2 3.77Å; E747-F776 HydrophobicContact CB-CE2 3.45Å; E747-F776 VanDerWaalsContact CB-CE2 3.45Å; E747-F776 HydrophobicContact CB-CZ 4.36Å; E747-F776 HydrophobicContact CG-CD2 4.14Å; E747-F776 HydrophobicContact CG-CE2 3.46Å; E747-F776 VanDerWaalsContact CG-CE2 3.46Å; E747-F776 HydrophobicContact CG-CZ 3.88Å; V750-F776 HydrophobicContact CG2-CB 3.75Å; V750-F776 HydrophobicContact CG2-CD1 4.26Å; V750-F776 HydrophobicContact CG2-CD2 4.34Å; V750-F776 HydrophobicContact CG2-CG 3.87Å; E767-F776 HydrophobicContact CG-CD1 3.98Å; N768-F776 WeakPolarHBondContact O-CA 3.27Å; Q769-F776 HydrophobicContact CB-CD1 4.25Å; Q769-F776 HydrophobicContact CB-CE1 3.86Å; Q769-F776 HydrophobicContact CB-CE2 4.23Å; Q769-F776 HydrophobicContact CB-CZ 3.85Å; Q769-F776 HydrophobicContact CG-CD2 4.32Å; Q769-F776 HydrophobicContact CG-CE1 4.36Å; Q769-F776 HydrophobicContact CG-CE2 3.82Å; Q769-F776 HydrophobicContact CG-CZ 3.85Å |
| 777 | I | 83.1 | Confident | 83.9 | Confident | 24 Ų | 24 | 38.9 Ų | 38.9 | 12% | 0.123 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 121.1 | 169.1 | -63.9 | 171.6 | 0 | 0 | 0 | 107.3 | E742 I743 Q744 E767 N768 V770 K779 | E742-I777 HydrophobicContact CG-CG2 3.8Å; E742-I777 WeakPolarHBondContact OE2-CG2 3.33Å; I743-I777 WeakPolarHBondContact O-CA 3.28Å; Q744-I777 HydrophobicContact CG-CG1 4.25Å; E767-I777 WeakPolarHBondContact CA-O 3.48Å; N768-I777 PolarHBondContact N-O 2.97Å; N768-I777 PolarHBondContact O-N 2.77Å; V770-I777 HydrophobicContact CG2-CD1 3.64Å; V770-I777 HydrophobicContact CG2-CG1 3.64Å; I777-K779 HydrophobicContact CG2-CG 4.5Å |
| 778 | V | 89.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.1 | 175.4 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | E742 I743 V750 I753 L757 V764 E766 E767 | E742-V778 WeakPolarHBondContact CA-O 3.47Å; I743-V778 PolarHBondContact N-O 3.48Å; I743-V778 PolarHBondContact O-N 3.36Å; V750-V778 HydrophobicContact CG1-CG2 4.5Å; I753-V778 HydrophobicContact CD1-CG2 4.31Å; I753-V778 HydrophobicContact CG2-CG1 4.26Å; L757-V778 HydrophobicContact CD1-CG1 4.49Å; V764-V778 HydrophobicContact CG1-CG1 3.93Å; V764-V778 HydrophobicContact CG2-CG1 4.14Å; E766-V778 WeakPolarHBondContact O-CA 3.44Å; E767-V778 HydrophobicContact CG-CG2 4.34Å |
| 779 | K | 91.2 | Very high | 84 | Confident | 49 Ų | 49 | 34.1 Ų | 34.1 | 21% | 0.213 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 134.3 | 170.9 | -64.4 | -175 | -166.6 | 155.9 | 0 | 110.7 | L740 V741 E742 I765 E766 I777 | L740-K779 HydrophobicContact CD1-CB 4.41Å; V741-K779 CarbonylContact O-C 3.57Å; V741-K779 VanDerWaalsContact O-CA 3.25Å; V741-K779 WeakPolarHBondContact O-CA 3.46Å; E742-K779 WeakPolarHBondContact OE2-CE 3.46Å; I765-K779 PolarHBondContact N-O 2.74Å; E766-K779 HydrophobicContact CB-CB 4.24Å; E766-K779 PolarHBondContact N-O 2.99Å; E766-K779 PolarHBondContact O-N 3.5Å; E766-K779 WeakPolarHBondContact OE2-CD 3.45Å; E766-K779 IonicContact OE2-NZ 2.95Å; E766-K779 PolarHBondContact OE2-NZ 2.95Å; I777-K779 HydrophobicContact CG2-CG 4.5Å |
| 780 | A | 94.7 | Very high | 84.4 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 150.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V741 L757 H763 V764 | V741-A780 PolarHBondContact N-O 3.41Å; V741-A780 PolarHBondContact O-N 2.87Å; L757-A780 HydrophobicContact CD1-CB 3.6Å; L757-A780 HydrophobicContact CD2-CB 4.02Å; L757-A780 HydrophobicContact CG-CB 4.46Å; H763-A780 CarbonylContact O-C 3.44Å; H763-A780 WeakPolarHBondContact O-CA 3.41Å; H763-A780 WeakPolarHBondContact O-CB 3.49Å; V764-A780 HydrophobicContact CG2-CB 4.22Å |
| 781 | Y | 95.8 | Very high | 85 | Confident | 78 Ų | 78 | 31.5 Ų | 31.5 | 31% | 0.306 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 135.4 | 163.1 | -67.6 | -47.4 | 0 | 0 | 0 | 110 | V738 Y739 L740 G762 H763 I765 D809 H810 | V738-Y781 HydrophobicContact CG1-CD1 4.12Å; V738-Y781 HydrophobicContact CG1-CG 4.23Å; Y739-Y781 CarbonylContact O-C 3.49Å; Y739-Y781 WeakPolarHBondContact O-CA 3.2Å; L740-Y781 HydrophobicContact CD1-CD1 4.39Å; L740-Y781 HydrophobicContact CD1-CE1 4.17Å; G762-Y781 CarbonylContact C-O 3.59Å; G762-Y781 WeakPolarHBondContact CA-O 3.37Å; H763-Y781 PolarHBondContact N-O 3.4Å; H763-Y781 PolarHBondContact O-N 2.84Å; I765-Y781 HydrophobicContact CD1-CD1 3.68Å; I765-Y781 HydrophobicContact CD1-CD2 3.49Å; I765-Y781 VanDerWaalsContact CD1-CD2 3.49Å; I765-Y781 HydrophobicContact CD1-CE1 3.53Å; I765-Y781 HydrophobicContact CD1-CE2 3.35Å; I765-Y781 HydrophobicContact CD1-CG 3.64Å; I765-Y781 HydrophobicContact CG1-CD2 3.69Å; I765-Y781 HydrophobicContact CG1-CE2 3.71Å; I765-Y781 HydrophobicContact CG1-CG 4.2Å; Y781-D809 VanDerWaalsContact CE1-OD2 3.23Å; Y781-D809 WeakPolarHBondContact CE1-OD2 3.36Å; Y781-H810 AromaticContact CD1-CE1 3.81Å; Y781-H810 AromaticContact CE1-CE1 3.76Å |
| 782 | L | 95.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 117.6 | 176.9 | -178.9 | 65.3 | 0 | 0 | 0 | 109.4 | Y739 V741 R760 V784 E786 F790 | Y739-L782 PolarHBondContact N-O 3.28Å; Y739-L782 PolarHBondContact O-N 3.29Å; V741-L782 HydrophobicContact CG2-CB 3.42Å; V741-L782 VanDerWaalsContact CG2-CB 3.42Å; V741-L782 HydrophobicContact CG2-CD2 3.86Å; V741-L782 HydrophobicContact CG2-CG 4.29Å; R760-L782 HydrophobicContact CB-CD1 3.91Å; R760-L782 WeakPolarHBondContact O-CD1 3.21Å; L782-V784 PolarHBondContact O-N 2.81Å; L782-E786 HydrophobicContact CD1-CB 4.08Å; L782-F790 HydrophobicContact CD2-CB 4.42Å; L782-F790 HydrophobicContact CD2-CD1 3.79Å; L782-F790 HydrophobicContact CD2-CD2 4.16Å; L782-F790 HydrophobicContact CD2-CE1 4Å; L782-F790 HydrophobicContact CD2-CE2 4.35Å; L782-F790 HydrophobicContact CD2-CG 3.87Å; L782-F790 HydrophobicContact CD2-CZ 4.27Å |
| 783 | P | 95.1 | Very high | 87.3 | Confident | 4 Ų | 4 | 30.8 Ų | 30.8 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 133.7 | 173.1 | -23.3 | 32.8 | 0 | 0 | 0 | 110.8 | R761 N785 E786 S787 | R761-P783 HydrophobicContact CB-CG 4.36Å; R761-P783 VanDerWaalsContact NH2-CG 3.26Å; P783-N785 PolarHBondContact O-N 3.38Å; P783-N785 VanDerWaalsContact O-N 3.1Å; P783-E786 HydrophobicContact CB-CG 4.02Å; P783-E786 HydrophobicContact CG-CG 4.31Å; P783-E786 WeakPolarHBondContact O-CB 3.38Å; P783-E786 PolarHBondContact O-N 2.87Å; P783-S787 PolarHBondContact O-N 3.45Å |
| 784 | V | 92.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -57.7 | -34.3 | -173.9 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | V498 V499 V571 P737 Y739 L782 E786 S787 | V498-V784 HydrophobicContact CG2-CG1 4.06Å; V498-V784 HydrophobicContact CG2-CG2 4.19Å; V499-V784 HydrophobicContact CG2-CG1 3.9Å; V571-V784 HydrophobicContact CG1-CB 4.22Å; V571-V784 HydrophobicContact CG1-CG1 4.26Å; V571-V784 HydrophobicContact CG2-CB 4.25Å; V571-V784 HydrophobicContact CG2-CG1 3.83Å; P737-V784 HydrophobicContact CB-CB 4.48Å; P737-V784 HydrophobicContact CB-CG2 3.83Å; P737-V784 HydrophobicContact CG-CB 3.98Å; P737-V784 HydrophobicContact CG-CG2 3.88Å; P737-V784 VanDerWaalsContact O-CG2 3.29Å; P737-V784 WeakPolarHBondContact O-CG2 3.44Å; P737-V784 PolarHBondContact O-N 3.21Å; Y739-V784 HydrophobicContact CD1-CG2 3.77Å; Y739-V784 HydrophobicContact CD2-CB 4.37Å; Y739-V784 HydrophobicContact CD2-CG2 3.84Å; Y739-V784 HydrophobicContact CE1-CG2 3.64Å; Y739-V784 HydrophobicContact CE2-CB 4.05Å; Y739-V784 HydrophobicContact CE2-CG1 3.75Å; Y739-V784 HydrophobicContact CE2-CG2 3.72Å; Y739-V784 HydrophobicContact CG-CG2 3.86Å; L782-V784 PolarHBondContact O-N 2.81Å; V784-E786 PolarHBondContact O-N 2.76Å; V784-S787 VanDerWaalsContact O-CB 3.3Å; V784-S787 WeakPolarHBondContact O-CB 3.47Å; V784-S787 PolarHBondContact O-N 3.38Å; V784-S787 PolarHBondContact O-OG 2.88Å |
| 785 | N | 91.6 | Very high | 88.9 | Confident | 53 Ų | 53 | 33.9 Ų | 33.9 | 28% | 0.283 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -65 | -27 | 179.3 | -168.1 | 71.9 | 0 | 0 | 0 | 112.8 | V571 P783 S787 F788 | V571-N785 HydrophobicContact CB-CB 4.43Å; V571-N785 VanDerWaalsContact CG2-CA 3.48Å; V571-N785 HydrophobicContact CG2-CB 3.74Å; P783-N785 PolarHBondContact O-N 3.38Å; P783-N785 VanDerWaalsContact O-N 3.1Å; N785-S787 VanDerWaalsContact C-N 3.35Å; N785-F788 WeakPolarHBondContact O-CD2 3.46Å |
| 786 | E | 92.5 | Very high | 89.4 | Confident | 38 Ų | 38 | 36.8 Ų | 36.8 | 18% | 0.178 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -89.6 | -7 | 178.9 | -53.7 | -65 | 158.1 | 0 | 0 | 112 | R760 R761 L782 P783 V784 K824 | R760-E786 HydrophobicContact CB-CB 4.03Å; R760-E786 WeakPolarHBondContact CD-O 3.42Å; R760-E786 PolarHBondContact NH1-O 3.44Å; R760-E786 WeakPolarHBondContact O-CB 3.23Å; R760-E786 VanDerWaalsContact O-CG 3.29Å; R760-E786 WeakPolarHBondContact O-CG 3.37Å; R761-E786 HydrophobicContact CB-CG 4.5Å; L782-E786 HydrophobicContact CD1-CB 4.08Å; P783-E786 HydrophobicContact CB-CG 4.02Å; P783-E786 HydrophobicContact CG-CG 4.31Å; P783-E786 WeakPolarHBondContact O-CB 3.38Å; P783-E786 PolarHBondContact O-N 2.87Å; V784-E786 PolarHBondContact O-N 2.76Å; E786-K824 IonicContact OE1-NZ 3.01Å; E786-K824 PolarHBondContact OE1-NZ 3.23Å |
| 787 | S | 90 | Very high | 89.6 | Confident | 10 Ų | 10 | 39.4 Ų | 39.4 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | trans | -79.2 | -16.4 | -179.5 | 78.5 | 0 | 0 | 0 | 0 | 114.3 | Y739 P783 V784 N785 G789 F790 | Y739-S787 WeakPolarHBondContact CE2-OG 3.21Å; P783-S787 PolarHBondContact O-N 3.45Å; V784-S787 VanDerWaalsContact O-CB 3.3Å; V784-S787 WeakPolarHBondContact O-CB 3.47Å; V784-S787 PolarHBondContact O-N 3.38Å; V784-S787 PolarHBondContact O-OG 2.88Å; N785-S787 VanDerWaalsContact C-N 3.35Å; S787-G789 PolarHBondContact O-N 3.41Å; S787-F790 WeakPolarHBondContact O-CB 3.41Å; S787-F790 PolarHBondContact O-N 3.16Å | ||
| 788 | F | 89.2 | Confident | 89.7 | Confident | 42 Ų | 42 | 38.7 Ų | 38.7 | 18% | 0.184 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | 126.1 | 179.8 | -60.9 | -47.8 | 0 | 0 | 0 | 111.5 | V499 E545 P569 V571 R760 N785 F790 | V499-F788 HydrophobicContact CG1-CE1 3.61Å; V499-F788 HydrophobicContact CG1-CZ 3.78Å; V499-F788 HydrophobicContact CG2-CE1 4.24Å; E545-F788 HydrophobicContact CB-CD1 4.47Å; E545-F788 WeakPolarHBondContact OE2-CA 3.29Å; P569-F788 HydrophobicContact CB-CD1 4.25Å; P569-F788 HydrophobicContact CB-CE1 3.67Å; P569-F788 HydrophobicContact CB-CE2 4.49Å; P569-F788 HydrophobicContact CB-CZ 3.8Å; P569-F788 HydrophobicContact CG-CD1 3.9Å; P569-F788 HydrophobicContact CG-CE1 3.83Å; P569-F788 HydrophobicContact CG-CE2 4.43Å; P569-F788 HydrophobicContact CG-CG 4.27Å; P569-F788 HydrophobicContact CG-CZ 4.11Å; P569-F788 WeakPolarHBondContact O-CE2 3.42Å; V571-F788 HydrophobicContact CG2-CE2 3.88Å; V571-F788 HydrophobicContact CG2-CZ 3.79Å; R760-F788 PolarHBondContact NH1-O 3.4Å; N785-F788 WeakPolarHBondContact O-CD2 3.46Å; F788-F790 PolarHBondContact O-N 2.92Å |
| 789 | G | 87.7 | Confident | 89.2 | Confident | 29 Ų | 29 | 42 Ų | 42 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 8.4 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | E545 S787 T791 A792 D793 | E545-G789 PolarHBondContact OE2-N 3.5Å; S787-G789 PolarHBondContact O-N 3.41Å; G789-T791 PolarHBondContact O-N 2.93Å; G789-A792 PolarHBondContact O-N 3.47Å; G789-D793 PolarHBondContact O-N 3.2Å; G789-D793 VanDerWaalsContact O-N 3.1Å |
| 790 | F | 89.5 | Confident | 88.4 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | -179.3 | 173.7 | -119.5 | 0 | 0 | 0 | 112.1 | V741 I743 V756 L757 L782 S787 F788 A792 D793 L794 P804 | V741-F790 HydrophobicContact CG1-CE1 3.66Å; V741-F790 HydrophobicContact CG1-CZ 4.16Å; I743-F790 HydrophobicContact CD1-CE1 4.37Å; I743-F790 HydrophobicContact CD1-CZ 3.86Å; V756-F790 HydrophobicContact CB-CE2 4.46Å; V756-F790 HydrophobicContact CG1-CD2 3.7Å; V756-F790 HydrophobicContact CG1-CE2 3.57Å; L757-F790 HydrophobicContact CD2-CE2 3.94Å; L757-F790 HydrophobicContact CD2-CZ 3.76Å; L757-F790 HydrophobicContact CG-CZ 4.48Å; L782-F790 HydrophobicContact CD2-CB 4.42Å; L782-F790 HydrophobicContact CD2-CD1 3.79Å; L782-F790 HydrophobicContact CD2-CD2 4.16Å; L782-F790 HydrophobicContact CD2-CE1 4Å; L782-F790 HydrophobicContact CD2-CE2 4.35Å; L782-F790 HydrophobicContact CD2-CG 3.87Å; L782-F790 HydrophobicContact CD2-CZ 4.27Å; S787-F790 WeakPolarHBondContact O-CB 3.41Å; S787-F790 PolarHBondContact O-N 3.16Å; F788-F790 PolarHBondContact O-N 2.92Å; F790-A792 VanDerWaalsContact C-N 3.31Å; F790-A792 PolarHBondContact O-N 3.25Å; F790-D793 PolarHBondContact O-N 2.83Å; F790-L794 HydrophobicContact CE1-CD2 4.42Å; F790-L794 HydrophobicContact CE2-CD1 4.38Å; F790-L794 HydrophobicContact CZ-CD1 4.32Å; F790-L794 HydrophobicContact CZ-CD2 4.29Å; F790-L794 VanDerWaalsContact O-CB 3.24Å; F790-L794 WeakPolarHBondContact O-CB 3.42Å; F790-L794 PolarHBondContact O-N 3.46Å; F790-P804 HydrophobicContact CD1-CB 3.94Å; F790-P804 HydrophobicContact CD1-CG 3.9Å; F790-P804 HydrophobicContact CE1-CB 3.41Å; F790-P804 VanDerWaalsContact CE1-CB 3.41Å; F790-P804 HydrophobicContact CE1-CG 3.83Å; F790-P804 HydrophobicContact CZ-CB 4.37Å |
| 791 | T | 83.2 | Confident | 87.3 | Confident | 73 Ų | 73 | 45.3 Ų | 45.3 | 45% | 0.448 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.7 | -41.8 | 178.4 | -56.1 | 0 | 0 | 0 | 0 | 112.2 | G789 R795 P804 | G789-T791 PolarHBondContact O-N 2.93Å; T791-R795 VanDerWaalsContact O-CB 3.26Å; T791-R795 WeakPolarHBondContact O-CB 3.28Å; T791-R795 PolarHBondContact O-N 3.37Å; T791-P804 HydrophobicContact CG2-CG 4.24Å |
| 792 | A | 85.3 | Confident | 86.3 | Confident | 68 Ų | 68 | 41.6 Ų | 41.6 | 56% | 0.562 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -69.7 | -43.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G789 F790 R795 S796 | G789-A792 PolarHBondContact O-N 3.47Å; F790-A792 VanDerWaalsContact C-N 3.31Å; F790-A792 PolarHBondContact O-N 3.25Å; A792-R795 PolarHBondContact O-N 3.02Å; A792-S796 PolarHBondContact O-N 3.38Å |
| 793 | D | 90.2 | Very high | 85.3 | Confident | 35 Ų | 35 | 46.7 Ų | 46.7 | 19% | 0.187 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 176.7 | -167.5 | 8.5 | 0 | 0 | 0 | 110.9 | V756 R759 R760 G789 F790 R795 S796 N797 | V756-D793 HydrophobicContact CG1-CB 4.27Å; R759-D793 IonicContact NH2-OD1 3.25Å; R759-D793 PolarHBondContact NH2-OD1 3.08Å; R759-D793 IonicContact NH2-OD2 3.5Å; R759-D793 PolarHBondContact NH2-OD2 2.84Å; R760-D793 IonicContact CZ-OD2 2.63Å; R760-D793 IonicContact NE-OD2 3.66Å; R760-D793 PolarHBondContact NE-OD2 2.82Å; R760-D793 IonicContact NH2-OD2 2.77Å; R760-D793 PolarHBondContact NH2-OD2 3.19Å; G789-D793 PolarHBondContact O-N 3.2Å; G789-D793 VanDerWaalsContact O-N 3.1Å; F790-D793 PolarHBondContact O-N 2.83Å; D793-R795 PolarHBondContact O-N 3.28Å; D793-S796 PolarHBondContact O-N 3.49Å; D793-N797 PolarHBondContact O-N 2.83Å; D793-N797 PolarHBondContact O-ND2 2.93Å; D793-N797 PolarHBondContact OD1-ND2 2.87Å |
| 794 | L | 87.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 175.3 | -167.6 | 71.1 | 0 | 0 | 0 | 111.5 | I743 I753 V756 F790 S796 N797 T798 A802 P804 | I743-L794 HydrophobicContact CD1-CD1 4.27Å; I743-L794 HydrophobicContact CD1-CD2 3.96Å; I743-L794 HydrophobicContact CG1-CD2 4.26Å; I743-L794 HydrophobicContact CG2-CD2 3.85Å; I753-L794 HydrophobicContact CB-CD1 4.3Å; I753-L794 HydrophobicContact CG1-CD1 3.94Å; I753-L794 HydrophobicContact CG2-CD1 4.33Å; V756-L794 HydrophobicContact CB-CD1 4.32Å; V756-L794 HydrophobicContact CG2-CD1 4.43Å; F790-L794 HydrophobicContact CE1-CD2 4.42Å; F790-L794 HydrophobicContact CE2-CD1 4.38Å; F790-L794 HydrophobicContact CZ-CD1 4.32Å; F790-L794 HydrophobicContact CZ-CD2 4.29Å; F790-L794 VanDerWaalsContact O-CB 3.24Å; F790-L794 WeakPolarHBondContact O-CB 3.42Å; F790-L794 PolarHBondContact O-N 3.46Å; L794-S796 VanDerWaalsContact C-N 3.31Å; L794-S796 PolarHBondContact O-N 3.1Å; L794-N797 PolarHBondContact O-N 3.42Å; L794-T798 HydrophobicContact CD1-CG2 4.4Å; L794-T798 WeakPolarHBondContact O-CB 3.45Å; L794-T798 WeakPolarHBondContact O-CG2 3.44Å; L794-T798 PolarHBondContact O-N 2.98Å; L794-T798 PolarHBondContact O-OG1 2.98Å; L794-A802 HydrophobicContact CD2-CB 4.13Å; L794-A802 HydrophobicContact CG-CB 4.18Å; L794-P804 HydrophobicContact CD2-CB 3.79Å; L794-P804 HydrophobicContact CD2-CG 3.74Å |
| 795 | R | 82.2 | Confident | 83.9 | Confident | 150 Ų | 150 | 47.7 Ų | 47.7 | 57% | 0.566 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -59.7 | -43 | 177.8 | -164.5 | -173.9 | 178.9 | 165.7 | -0 | 111.3 | T791 A792 D793 G799 G800 | T791-R795 VanDerWaalsContact O-CB 3.26Å; T791-R795 WeakPolarHBondContact O-CB 3.28Å; T791-R795 PolarHBondContact O-N 3.37Å; A792-R795 PolarHBondContact O-N 3.02Å; D793-R795 PolarHBondContact O-N 3.28Å; R795-G799 PolarHBondContact O-N 3.03Å; R795-G800 PolarHBondContact O-N 3.38Å |
| 796 | S | 87.5 | Confident | 83.5 | Confident | 98 Ų | 98 | 46.2 Ų | 46.2 | 69% | 0.685 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.5 | -40.9 | 178.1 | -171.2 | 0 | 0 | 0 | 0 | 112.8 | A792 D793 L794 T798 | A792-S796 PolarHBondContact O-N 3.38Å; D793-S796 PolarHBondContact O-N 3.49Å; L794-S796 VanDerWaalsContact C-N 3.31Å; L794-S796 PolarHBondContact O-N 3.1Å; S796-T798 VanDerWaalsContact C-N 3.35Å |
| 797 | N | 88 | Confident | 82.9 | Confident | 75 Ų | 75 | 45.4 Ų | 45.4 | 40% | 0.401 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -82.4 | -11.1 | -176.9 | -73.9 | -90 | 0 | 0 | 0 | 114 | V756 D793 L794 | V756-N797 HydrophobicContact CG2-CB 3.67Å; D793-N797 PolarHBondContact O-N 2.83Å; D793-N797 PolarHBondContact O-ND2 2.93Å; D793-N797 PolarHBondContact OD1-ND2 2.87Å; L794-N797 PolarHBondContact O-N 3.42Å |
| 798 | T | 84.1 | Confident | 82.6 | Confident | 8 Ų | 8 | 46.5 Ų | 46.5 | 5% | 0.049 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 8.3 | 179.1 | 60.9 | 0 | 0 | 0 | 0 | 112.9 | A749 I753 L794 S796 G800 Q801 A802 | A749-T798 HydrophobicContact CB-CG2 4.09Å; I753-T798 HydrophobicContact CG1-CG2 3.99Å; L794-T798 HydrophobicContact CD1-CG2 4.4Å; L794-T798 WeakPolarHBondContact O-CB 3.45Å; L794-T798 WeakPolarHBondContact O-CG2 3.44Å; L794-T798 PolarHBondContact O-N 2.98Å; L794-T798 PolarHBondContact O-OG1 2.98Å; S796-T798 VanDerWaalsContact C-N 3.35Å; T798-G800 PolarHBondContact O-N 3.09Å; T798-Q801 VanDerWaalsContact O-CB 3.32Å; T798-Q801 WeakPolarHBondContact O-CB 3.33Å; T798-Q801 WeakPolarHBondContact O-CG 3.34Å; T798-Q801 PolarHBondContact O-N 3.04Å; T798-Q801 VanDerWaalsContact O-N 3.14Å; T798-A802 HydrophobicContact CG2-CB 3.67Å; T798-A802 WeakPolarHBondContact OG1-CB 3.35Å; T798-A802 PolarHBondContact OG1-N 3.02Å |
| 799 | G | 80 | Confident | 82.5 | Confident | 71 Ų | 71 | 47.7 Ų | 47.7 | 73% | 0.732 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 23.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R795 | R795-G799 PolarHBondContact O-N 3.03Š|
| 800 | G | 73.8 | Confident | 82.7 | Confident | 22 Ų | 22 | 48.5 Ų | 48.5 | 23% | 0.227 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 14.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | R795 T798 F803 | R795-G800 PolarHBondContact O-N 3.38Å; T798-G800 PolarHBondContact O-N 3.09Å; G800-F803 WeakPolarHBondContact O-CE2 3.47Å |
| 801 | Q | 72.6 | Confident | 82.8 | Confident | 96 Ų | 96 | 49.5 Ų | 49.5 | 45% | 0.449 | 29% | 0.286 | S | S | . | . | trans | -90.5 | -7.8 | -177.9 | -60.6 | -178.6 | -12.2 | 0 | 0 | 114.2 | P746 A749 T798 | P746-Q801 HydrophobicContact CG-CB 4.18Å; A749-Q801 HydrophobicContact CB-CB 4.42Å; T798-Q801 VanDerWaalsContact O-CB 3.32Å; T798-Q801 WeakPolarHBondContact O-CB 3.33Å; T798-Q801 WeakPolarHBondContact O-CG 3.34Å; T798-Q801 PolarHBondContact O-N 3.04Å; T798-Q801 VanDerWaalsContact O-N 3.14Å | ||
| 802 | A | 75.2 | Confident | 83.4 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | trans | -122.8 | 135.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I743 C745 I753 L794 T798 | I743-A802 HydrophobicContact CG2-CB 3.75Å; C745-A802 HydrophobicContact CB-CB 3.85Å; I753-A802 HydrophobicContact CD1-CB 4.24Å; I753-A802 HydrophobicContact CG1-CB 4.41Å; L794-A802 HydrophobicContact CD2-CB 4.13Å; L794-A802 HydrophobicContact CG-CB 4.18Å; T798-A802 HydrophobicContact CG2-CB 3.67Å; T798-A802 WeakPolarHBondContact OG1-CB 3.35Å; T798-A802 PolarHBondContact OG1-N 3.02Å | ||
| 803 | F | 72.7 | Confident | 83.9 | Confident | 106 Ų | 106 | 49.5 Ų | 49.5 | 47% | 0.465 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 125.2 | 175.7 | -68.8 | -89.1 | 0 | 0 | 0 | 109.1 | G800 | G800-F803 WeakPolarHBondContact O-CE2 3.47Å |
| 804 | P | 83.2 | Confident | 84.2 | Confident | 13 Ų | 13 | 47.9 Ų | 47.9 | 8% | 0.084 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 151.6 | -179.5 | 33.5 | -26.2 | 0 | 0 | 0 | 111.6 | V741 E742 I743 F790 T791 L794 | V741-P804 HydrophobicContact CG1-CB 4.02Å; E742-P804 CarbonylContact O-C 3.59Å; E742-P804 WeakPolarHBondContact O-CA 3.38Å; I743-P804 HydrophobicContact CG1-CB 4.08Å; F790-P804 HydrophobicContact CD1-CB 3.94Å; F790-P804 HydrophobicContact CD1-CG 3.9Å; F790-P804 HydrophobicContact CE1-CB 3.41Å; F790-P804 VanDerWaalsContact CE1-CB 3.41Å; F790-P804 HydrophobicContact CE1-CG 3.83Å; F790-P804 HydrophobicContact CZ-CB 4.37Å; T791-P804 HydrophobicContact CG2-CG 4.24Å; L794-P804 HydrophobicContact CD2-CB 3.79Å; L794-P804 HydrophobicContact CD2-CG 3.74Å |
| 805 | Q | 76.5 | Confident | 84.5 | Confident | 13 Ų | 13 | 51.6 Ų | 51.6 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 126 | 165.1 | -70 | -178.6 | -20.8 | 0 | 0 | 109.9 | H27 Q150 V741 E742 | H27-Q805 PolarHBondContact CE1-NE2 3.36Å; H27-Q805 PolarHBondContact CE1-OE1 3.14Å; H27-Q805 PolarHBondContact ND1-NE2 3.45Å; H27-Q805 VanDerWaalsContact ND1-NE2 3.18Å; H27-Q805 PolarHBondContact ND1-OE1 3.46Å; H27-Q805 PolarHBondContact NE2-NE2 3.34Å; Q150-Q805 VanDerWaalsContact CG-CD 3.49Å; V741-Q805 CarbonylContact C-O 3.51Å; V741-Q805 VanDerWaalsContact CA-O 3.23Å; V741-Q805 WeakPolarHBondContact CA-O 3.37Å; E742-Q805 PolarHBondContact N-O 3.39Å; E742-Q805 PolarHBondContact O-N 3.41Å |
| 806 | C | 82.2 | Confident | 85 | Confident | 22 Ų | 22 | 46.4 Ų | 46.4 | 15% | 0.149 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 117.1 | -174.8 | -60 | 0 | 0 | 0 | 0 | 109.6 | V121 Y739 | V121-C806 WeakPolarHBondContact CG1-O 3.44Å; Y739-C806 HydrophobicContact CD1-CB 4.24Å; Y739-C806 HydrophobicContact CD2-CB 3.57Å; Y739-C806 HydrophobicContact CE2-CB 4.01Å; Y739-C806 HydrophobicContact CG-CB 3.71Å |
| 807 | V | 80.4 | Confident | 85.3 | Confident | 21 Ų | 21 | 43.2 Ų | 43.2 | 13% | 0.127 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 134.8 | 174.7 | -167.5 | 0 | 0 | 0 | 0 | 108.5 | V121 Q150 Y739 L740 D809 | V121-V807 HydrophobicContact CB-CG2 4.13Å; V121-V807 HydrophobicContact CG1-CG2 4.2Å; V121-V807 HydrophobicContact CG2-CB 4.08Å; V121-V807 HydrophobicContact CG2-CG1 3.82Å; V121-V807 HydrophobicContact CG2-CG2 3.46Å; V121-V807 VanDerWaalsContact CG2-CG2 3.46Å; Q150-V807 VanDerWaalsContact NE2-CG2 3.31Å; Y739-V807 CarbonylContact C-O 3.57Å; Y739-V807 WeakPolarHBondContact CA-O 3.46Å; L740-V807 PolarHBondContact N-O 3.07Å; L740-V807 PolarHBondContact O-N 2.75Å; V807-D809 PolarHBondContact O-N 3.44Å |
| 808 | F | 84.1 | Confident | 85.6 | Confident | 32 Ų | 32 | 39.9 Ų | 39.9 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 123.5 | 169.9 | 174.1 | -98.9 | 0 | 0 | 0 | 109.4 | V495 V498 P737 Y739 H810 W811 | V495-F808 HydrophobicContact CG1-CB 4.47Å; V498-F808 HydrophobicContact CG1-CD2 3.85Å; V498-F808 HydrophobicContact CG1-CE2 4.3Å; V498-F808 HydrophobicContact CG1-CG 4.34Å; P737-F808 HydrophobicContact CB-CD2 3.95Å; P737-F808 HydrophobicContact CB-CE2 3.64Å; Y739-F808 HydrophobicContact CD1-CB 4.4Å; Y739-F808 HydrophobicContact CE1-CB 4.39Å; F808-H810 VanDerWaalsContact CE2-O 3.25Å; F808-H810 WeakPolarHBondContact CE2-O 3.47Å; F808-W811 HydrophobicContact CE2-CD2 4.35Å; F808-W811 HydrophobicContact CE2-CZ2 4.45Å; F808-W811 AromaticContact CZ-CD1 3.56Å; F808-W811 HydrophobicContact CZ-CD2 4.23Å; F808-W811 AromaticContact CZ-CE2 3.81Å; F808-W811 HydrophobicContact CZ-CG 4.09Å; F808-W811 HydrophobicContact CZ-CZ2 4.45Å; F808-W811 AromaticContact CZ-NE1 3.38Å |
| 809 | D | 86.6 | Confident | 86.1 | Confident | 67 Ų | 67 | 44 Ų | 44 | 36% | 0.358 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | -58.1 | -175.7 | -172.2 | 73 | 0 | 0 | 0 | 110.9 | V738 L740 Y781 V807 | V738-D809 PolarHBondContact O-N 3.13Å; L740-D809 HydrophobicContact CB-CB 3.79Å; Y781-D809 VanDerWaalsContact CE1-OD2 3.23Å; Y781-D809 WeakPolarHBondContact CE1-OD2 3.36Å; V807-D809 PolarHBondContact O-N 3.44Å |
| 810 | H | 90.8 | Very high | 86.7 | Confident | 46 Ų | 46 | 46.5 Ų | 46.5 | 21% | 0.213 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 171 | -178 | 64.9 | -82 | 0 | 0 | 0 | 112.8 | V738 Y781 F808 | V738-H810 PolarHBondContact N-O 3.39Å; Y781-H810 AromaticContact CD1-CE1 3.81Å; Y781-H810 AromaticContact CE1-CE1 3.76Å; F808-H810 VanDerWaalsContact CE2-O 3.25Å; F808-H810 WeakPolarHBondContact CE2-O 3.47Å |
| 811 | W | 93.6 | Very high | 87.5 | Confident | 23 Ų | 23 | 53.1 Ų | 53.1 | 9% | 0.087 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 136.1 | 166.6 | -65.3 | 95.2 | 0 | 0 | 0 | 109.1 | S572 R574 R692 L735 P737 F808 | S572-W811 WeakPolarHBondContact O-CH2 3.31Å; S572-W811 WeakPolarHBondContact O-CZ3 3.1Å; R574-W811 HydrophobicContact CB-CE3 4.39Å; R574-W811 HydrophobicContact CB-CZ3 4.37Å; R574-W811 HydrophobicContact CG-CD2 4.08Å; R574-W811 HydrophobicContact CG-CE3 3.84Å; R574-W811 HydrophobicContact CG-CH2 3.64Å; R574-W811 HydrophobicContact CG-CZ2 3.87Å; R574-W811 HydrophobicContact CG-CZ3 3.6Å; R692-W811 VanDerWaalsContact CD-CD1 3.42Å; R692-W811 VanDerWaalsContact CZ-CD1 3.48Å; L735-W811 HydrophobicContact CB-CB 4.32Å; L735-W811 HydrophobicContact CB-CE3 4.07Å; L735-W811 HydrophobicContact CD1-CB 4.26Å; P737-W811 HydrophobicContact CB-CD2 4.49Å; P737-W811 HydrophobicContact CB-CE3 3.95Å; P737-W811 HydrophobicContact CB-CH2 3.91Å; P737-W811 HydrophobicContact CB-CZ2 4.45Å; P737-W811 HydrophobicContact CB-CZ3 3.64Å; P737-W811 HydrophobicContact CG-CE3 4.46Å; P737-W811 HydrophobicContact CG-CH2 4.13Å; P737-W811 HydrophobicContact CG-CZ3 3.79Å; F808-W811 HydrophobicContact CE2-CD2 4.35Å; F808-W811 HydrophobicContact CE2-CZ2 4.45Å; F808-W811 AromaticContact CZ-CD1 3.56Å; F808-W811 HydrophobicContact CZ-CD2 4.23Å; F808-W811 AromaticContact CZ-CE2 3.81Å; F808-W811 HydrophobicContact CZ-CG 4.09Å; F808-W811 HydrophobicContact CZ-CZ2 4.45Å; F808-W811 AromaticContact CZ-NE1 3.38Å |
| 812 | Q | 94.9 | Very high | 88.2 | Confident | 59 Ų | 59 | 52.2 Ų | 52.2 | 28% | 0.276 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 156.5 | 173.6 | 76 | -179.8 | 19 | 0 | 0 | 110.7 | L735 E736 V738 L814 | L735-Q812 CarbonylContact C-O 3.53Å; L735-Q812 WeakPolarHBondContact CA-O 3.38Å; E736-Q812 HydrophobicContact CG-CG 3.7Å; E736-Q812 PolarHBondContact N-O 3.27Å; E736-Q812 PolarHBondContact O-N 3.01Å; E736-Q812 PolarHBondContact OE1-NE2 3.01Å; V738-Q812 HydrophobicContact CG2-CB 4.19Å; V738-Q812 HydrophobicContact CG2-CG 3.48Å; V738-Q812 VanDerWaalsContact CG2-CG 3.48Å; Q812-L814 PolarHBondContact O-N 3.14Å |
| 813 | I | 96.1 | Very high | 89.1 | Confident | 82 Ų | 82 | 53 Ų | 53 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 124 | 172.9 | -64.2 | 167.3 | 0 | 0 | 0 | 108.9 | C578 R733 L735 P815 | C578-I813 VanDerWaalsContact SG-CD1 3.56Å; R733-I813 HydrophobicContact CB-CG2 4.26Å; R733-I813 HydrophobicContact CG-CG2 4.29Å; L735-I813 HydrophobicContact CD2-CB 4.49Å; L735-I813 HydrophobicContact CD2-CG1 3.83Å; I813-P815 VanDerWaalsContact O-CD 3.29Å; I813-P815 WeakPolarHBondContact O-CD 3.18Å |
| 814 | L | 95.7 | Very high | 90 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 119.2 | 171.5 | 178.7 | 65.4 | 0 | 0 | 0 | 108.2 | Y573 L734 E736 Q812 G816 K824 P825 V828 | Y573-L814 HydrophobicContact CE1-CD2 4.13Å; L734-L814 HydrophobicContact CB-CB 4.33Å; L734-L814 HydrophobicContact CB-CD2 4.39Å; L734-L814 HydrophobicContact CD1-CD2 4.47Å; L734-L814 WeakPolarHBondContact O-CB 3.19Å; L734-L814 PolarHBondContact O-N 3.1Å; E736-L814 HydrophobicContact CB-CB 4.37Å; E736-L814 HydrophobicContact CB-CD1 4.34Å; E736-L814 VanDerWaalsContact CD-CD1 3.46Å; E736-L814 HydrophobicContact CG-CB 4.48Å; E736-L814 HydrophobicContact CG-CD1 4.34Å; E736-L814 VanDerWaalsContact OE2-CD1 3.23Å; E736-L814 WeakPolarHBondContact OE2-CD1 3.28Å; Q812-L814 PolarHBondContact O-N 3.14Å; L814-G816 PolarHBondContact O-N 3.06Å; L814-K824 HydrophobicContact CD1-CD 4.25Å; L814-K824 HydrophobicContact CD1-CG 4.43Å; L814-P825 HydrophobicContact CB-CG 4.39Å; L814-P825 HydrophobicContact CD2-CB 3.99Å; L814-P825 HydrophobicContact CD2-CG 3.84Å; L814-P825 HydrophobicContact CG-CG 3.85Å; L814-V828 HydrophobicContact CD2-CB 4.37Å; L814-V828 HydrophobicContact CD2-CG2 4.13Å |
| 815 | P | 93.5 | Very high | 90.6 | Very high | 78 Ų | 78 | 50.4 Ų | 50.4 | 51% | 0.506 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -59.6 | 129.8 | -173 | -27.5 | 35.8 | 0 | 0 | 0 | 113.2 | E736 I813 P825 | E736-P815 WeakPolarHBondContact OE1-CD 3.41Å; I813-P815 VanDerWaalsContact O-CD 3.29Å; I813-P815 WeakPolarHBondContact O-CD 3.18Å; P815-P825 VanDerWaalsContact O-CD 3.24Å; P815-P825 WeakPolarHBondContact O-CD 3.44Å; P815-P825 WeakPolarHBondContact O-CG 3.24Å |
| 816 | G | 93.4 | Very high | 91.4 | Very high | 41 Ų | 41 | 50 Ų | 50 | 42% | 0.423 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 116.4 | 177.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | L814 | L814-G816 PolarHBondContact O-N 3.06Š|
| 817 | D | 94.1 | Very high | 92 | Very high | 31 Ų | 31 | 54.5 Ų | 54.5 | 17% | 0.166 | 30% | 0.304 | C | S | . | . | trans | -108.2 | 125.9 | 177.5 | -167.8 | -38.6 | 0 | 0 | 0 | 110.6 | R733 F819 E820 S823 | R733-D817 IonicContact CZ-OD1 3.49Å; R733-D817 IonicContact CZ-OD2 3.65Å; R733-D817 VanDerWaalsContact CZ-OD2 3.23Å; R733-D817 VanDerWaalsContact NH1-CG 3.26Å; R733-D817 IonicContact NH1-OD1 3.79Å; R733-D817 PolarHBondContact NH1-OD1 3.15Å; R733-D817 IonicContact NH1-OD2 2.95Å; R733-D817 PolarHBondContact NH1-OD2 2.75Å; R733-D817 IonicContact NH2-OD2 2.69Å; R733-D817 PolarHBondContact NH2-OD2 2.96Å; D817-F819 PolarHBondContact O-N 3.3Å; D817-F819 WeakPolarHBondContact OD1-CB 3.43Å; D817-F819 WeakPolarHBondContact OD1-CD2 3.36Å; D817-F819 PolarHBondContact OD1-N 3.19Å; D817-E820 HydrophobicContact CB-CB 4.18Å; D817-E820 HydrophobicContact CB-CG 3.84Å; D817-E820 PolarHBondContact O-N 2.9Å; D817-E820 VanDerWaalsContact O-N 3.08Å; D817-S823 WeakPolarHBondContact O-CB 3.36Å; D817-S823 PolarHBondContact O-OG 3.49Å | ||
| 818 | P | 94.3 | Very high | 92.5 | Very high | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.032 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17.1 | 177.1 | 27.1 | -35.5 | 0 | 0 | 0 | 114.7 | L686 P732 P825 L829 I842 | L686-P818 HydrophobicContact CD1-CG 4.34Å; P732-P818 WeakPolarHBondContact O-CG 3.38Å; P818-P825 HydrophobicContact CB-CB 4.07Å; P818-L829 HydrophobicContact CB-CD1 3.98Å; P818-I842 HydrophobicContact CB-CD1 4.35Å |
| 819 | F | 93.7 | Very high | 93 | Very high | 96 Ų | 96 | 53 Ų | 53 | 42% | 0.421 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -13.5 | 174.4 | -63.6 | -93.3 | 0 | 0 | 0 | 113.2 | L686 L728 P732 D817 N821 I842 | L686-F819 HydrophobicContact CD2-CZ 4.34Å; L728-F819 HydrophobicContact CD2-CZ 4.24Å; P732-F819 HydrophobicContact CG-CE2 3.62Å; P732-F819 HydrophobicContact CG-CZ 3.83Å; D817-F819 PolarHBondContact O-N 3.3Å; D817-F819 WeakPolarHBondContact OD1-CB 3.43Å; D817-F819 WeakPolarHBondContact OD1-CD2 3.36Å; D817-F819 PolarHBondContact OD1-N 3.19Å; F819-N821 PolarHBondContact O-N 3.2Å; F819-I842 HydrophobicContact CD1-CD1 3.58Å; F819-I842 HydrophobicContact CD2-CD1 4.17Å; F819-I842 HydrophobicContact CE1-CB 4.21Å; F819-I842 HydrophobicContact CE1-CD1 3.58Å; F819-I842 HydrophobicContact CE1-CG1 4.49Å; F819-I842 HydrophobicContact CE1-CG2 3.76Å; F819-I842 HydrophobicContact CE2-CD1 4.17Å; F819-I842 HydrophobicContact CG-CD1 3.88Å; F819-I842 HydrophobicContact CZ-CD1 3.89Å; F819-I842 HydrophobicContact CZ-CG2 4.09Å |
| 820 | E | 93.4 | Very high | 93.3 | Very high | 123 Ų | 123 | 53.4 Ų | 53.4 | 58% | 0.575 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -83.8 | 108.8 | 175 | -74.1 | 178.5 | 179.2 | 0 | 0 | 110.5 | D817 G822 S823 A826 | D817-E820 HydrophobicContact CB-CB 4.18Å; D817-E820 HydrophobicContact CB-CG 3.84Å; D817-E820 PolarHBondContact O-N 2.9Å; D817-E820 VanDerWaalsContact O-N 3.08Å; E820-G822 PolarHBondContact O-N 3.21Å; E820-S823 VanDerWaalsContact O-CB 3.24Å; E820-S823 WeakPolarHBondContact O-CB 3.16Å; E820-S823 PolarHBondContact O-N 3.06Å; E820-S823 PolarHBondContact O-OG 3.12Å; E820-S823 VanDerWaalsContact O-OG 3.07Å; E820-A826 VanDerWaalsContact O-CB 3.26Å; E820-A826 WeakPolarHBondContact O-CB 3.38Å |
| 821 | N | 89.6 | Confident | 93.2 | Very high | 160 Ų | 160 | 55.4 Ų | 55.4 | 86% | 0.856 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 129.4 | 177.8 | -72 | -29.1 | 0 | 0 | 0 | 111.6 | F819 S823 | F819-N821 PolarHBondContact O-N 3.2Å; N821-S823 VanDerWaalsContact C-N 3.34Å |
| 822 | G | 89.1 | Confident | 93 | Very high | 78 Ų | 78 | 54.5 Ų | 54.5 | 80% | 0.804 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | -6.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | E820 | E820-G822 PolarHBondContact O-N 3.21Š|
| 823 | S | 93.5 | Very high | 92.9 | Very high | 18 Ų | 18 | 52.4 Ų | 52.4 | 13% | 0.126 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -66.3 | 154.2 | 168.7 | 83.4 | 0 | 0 | 0 | 0 | 110.8 | D817 E820 N821 P825 A826 Q827 | D817-S823 WeakPolarHBondContact O-CB 3.36Å; D817-S823 PolarHBondContact O-OG 3.49Å; E820-S823 VanDerWaalsContact O-CB 3.24Å; E820-S823 WeakPolarHBondContact O-CB 3.16Å; E820-S823 PolarHBondContact O-N 3.06Å; E820-S823 PolarHBondContact O-OG 3.12Å; E820-S823 VanDerWaalsContact O-OG 3.07Å; N821-S823 VanDerWaalsContact C-N 3.34Å; S823-P825 WeakPolarHBondContact OG-CD 3.4Å; S823-A826 PolarHBondContact O-N 3.48Å; S823-A826 VanDerWaalsContact OG-CB 3.31Å; S823-A826 WeakPolarHBondContact OG-CB 3.43Å; S823-A826 PolarHBondContact OG-N 3.24Å; S823-A826 VanDerWaalsContact OG-N 3.07Å; S823-Q827 PolarHBondContact O-N 3.45Å |
| 824 | K | 92.1 | Very high | 92.5 | Very high | 62 Ų | 62 | 56 Ų | 56 | 27% | 0.27 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 176.1 | -174.5 | 172.1 | -177.6 | 173.7 | 0 | 112.3 | E786 L814 A826 Q827 V828 | E786-K824 IonicContact OE1-NZ 3.01Å; E786-K824 PolarHBondContact OE1-NZ 3.23Å; L814-K824 HydrophobicContact CD1-CD 4.25Å; L814-K824 HydrophobicContact CD1-CG 4.43Å; K824-A826 VanDerWaalsContact C-N 3.35Å; K824-A826 PolarHBondContact O-N 3.31Å; K824-Q827 PolarHBondContact O-N 3.43Å; K824-V828 HydrophobicContact CG-CG2 4.48Å; K824-V828 WeakPolarHBondContact O-CG2 3.45Å; K824-V828 PolarHBondContact O-N 3.22Å |
| 825 | P | 94.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.1 | -41.7 | 171.8 | -24.5 | 31.9 | 0 | 0 | 0 | 114 | L734 L814 P815 P818 S823 Q827 V828 L829 | L734-P825 HydrophobicContact CD1-CB 4.44Å; L814-P825 HydrophobicContact CB-CG 4.39Å; L814-P825 HydrophobicContact CD2-CB 3.99Å; L814-P825 HydrophobicContact CD2-CG 3.84Å; L814-P825 HydrophobicContact CG-CG 3.85Å; P815-P825 VanDerWaalsContact O-CD 3.24Å; P815-P825 WeakPolarHBondContact O-CD 3.44Å; P815-P825 WeakPolarHBondContact O-CG 3.24Å; P818-P825 HydrophobicContact CB-CB 4.07Å; S823-P825 WeakPolarHBondContact OG-CD 3.4Å; P825-Q827 VanDerWaalsContact C-N 3.33Å; P825-Q827 PolarHBondContact O-N 3.03Å; P825-V828 PolarHBondContact O-N 3.01Å; P825-L829 WeakPolarHBondContact O-CB 3.26Å; P825-L829 PolarHBondContact O-N 3.44Å |
| 826 | A | 94.4 | Very high | 91.5 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 3% | 0.033 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E820 S823 K824 L829 L830 | E820-A826 VanDerWaalsContact O-CB 3.26Å; E820-A826 WeakPolarHBondContact O-CB 3.38Å; S823-A826 PolarHBondContact O-N 3.48Å; S823-A826 VanDerWaalsContact OG-CB 3.31Å; S823-A826 WeakPolarHBondContact OG-CB 3.43Å; S823-A826 PolarHBondContact OG-N 3.24Å; S823-A826 VanDerWaalsContact OG-N 3.07Å; K824-A826 VanDerWaalsContact C-N 3.35Å; K824-A826 PolarHBondContact O-N 3.31Å; A826-L829 PolarHBondContact O-N 2.86Å; A826-L830 WeakPolarHBondContact O-CB 3.44Å; A826-L830 VanDerWaalsContact O-CG 3.23Å; A826-L830 WeakPolarHBondContact O-CG 3.23Å; A826-L830 PolarHBondContact O-N 2.85Å |
| 827 | Q | 93.2 | Very high | 91.1 | Very high | 117 Ų | 117 | 58.4 Ų | 58.4 | 55% | 0.547 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.8 | -50.3 | 175 | -174.5 | 176.7 | 8.1 | 0 | 0 | 112 | S823 K824 P825 L829 L830 D831 | S823-Q827 PolarHBondContact O-N 3.45Å; K824-Q827 PolarHBondContact O-N 3.43Å; P825-Q827 VanDerWaalsContact C-N 3.33Å; P825-Q827 PolarHBondContact O-N 3.03Å; Q827-L829 VanDerWaalsContact C-N 3.25Å; Q827-L829 PolarHBondContact O-N 3.4Å; Q827-L830 PolarHBondContact O-N 2.94Å; Q827-D831 WeakPolarHBondContact O-CB 3.09Å; Q827-D831 PolarHBondContact O-N 2.57Å |
| 828 | V | 92.4 | Very high | 90.9 | Very high | 18 Ų | 18 | 58.5 Ų | 58.5 | 11% | 0.109 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.6 | -41.5 | 177.8 | 169 | 0 | 0 | 0 | 0 | 111.2 | Y573 L734 L814 K824 P825 T832 | Y573-V828 HydrophobicContact CD1-CG1 4.2Å; Y573-V828 HydrophobicContact CD2-CG1 3.77Å; Y573-V828 HydrophobicContact CE1-CG1 3.93Å; Y573-V828 HydrophobicContact CE2-CG1 3.47Å; Y573-V828 VanDerWaalsContact CE2-CG1 3.47Å; Y573-V828 HydrophobicContact CG-CG1 4.13Å; L734-V828 HydrophobicContact CD1-CB 4.34Å; L734-V828 HydrophobicContact CD1-CG1 4Å; L814-V828 HydrophobicContact CD2-CB 4.37Å; L814-V828 HydrophobicContact CD2-CG2 4.13Å; K824-V828 HydrophobicContact CG-CG2 4.48Å; K824-V828 WeakPolarHBondContact O-CG2 3.45Å; K824-V828 PolarHBondContact O-N 3.22Å; P825-V828 PolarHBondContact O-N 3.01Å; V828-T832 VanDerWaalsContact O-CB 3.26Å; V828-T832 WeakPolarHBondContact O-CB 3.42Å; V828-T832 PolarHBondContact O-N 3.01Å; V828-T832 PolarHBondContact O-OG1 2.72Å |
| 829 | L | 93.9 | Very high | 90.7 | Very high | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.016 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.5 | -49.9 | 176.6 | -176.7 | 153.9 | 0 | 0 | 0 | 111.1 | L686 C687 L734 P818 P825 A826 Q827 D831 T832 R833 I842 | L686-L829 HydrophobicContact CB-CD1 3.79Å; L686-L829 HydrophobicContact CD1-CD1 4.43Å; L686-L829 HydrophobicContact CD2-CD1 4.34Å; L686-L829 HydrophobicContact CG-CD1 4.43Å; C687-L829 HydrophobicContact CB-CG 4.31Å; L734-L829 HydrophobicContact CD1-CB 4.32Å; P818-L829 HydrophobicContact CB-CD1 3.98Å; P825-L829 WeakPolarHBondContact O-CB 3.26Å; P825-L829 PolarHBondContact O-N 3.44Å; A826-L829 PolarHBondContact O-N 2.86Å; Q827-L829 VanDerWaalsContact C-N 3.25Å; Q827-L829 PolarHBondContact O-N 3.4Å; L829-D831 PolarHBondContact O-N 3.38Å; L829-T832 PolarHBondContact O-N 3.04Å; L829-R833 VanDerWaalsContact CD2-CD 3.45Å; L829-R833 HydrophobicContact CD2-CG 4.16Å; L829-R833 WeakPolarHBondContact O-CB 3.3Å; L829-R833 VanDerWaalsContact O-CG 3.29Å; L829-R833 WeakPolarHBondContact O-CG 3.33Å; L829-R833 PolarHBondContact O-N 2.66Å; L829-I842 HydrophobicContact CD1-CD1 3.82Å; L829-I842 HydrophobicContact CD1-CG1 3.66Å; L829-I842 HydrophobicContact CD2-CG1 3.95Å; L829-I842 HydrophobicContact CG-CG1 4.5Å |
| 830 | L | 92.6 | Very high | 90.4 | Very high | 77 Ų | 77 | 69.8 Ų | 69.8 | 40% | 0.403 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | 178.7 | -73.3 | 170.4 | 0 | 0 | 0 | 111.7 | A826 Q827 T832 R833 K834 | A826-L830 WeakPolarHBondContact O-CB 3.44Å; A826-L830 VanDerWaalsContact O-CG 3.23Å; A826-L830 WeakPolarHBondContact O-CG 3.23Å; A826-L830 PolarHBondContact O-N 2.85Å; Q827-L830 PolarHBondContact O-N 2.94Å; L830-T832 VanDerWaalsContact C-N 3.34Å; L830-T832 PolarHBondContact O-N 2.92Å; L830-R833 PolarHBondContact O-N 2.74Å; L830-K834 VanDerWaalsContact O-CB 3.3Å; L830-K834 WeakPolarHBondContact O-CB 3.46Å; L830-K834 PolarHBondContact O-N 3.38Å |
| 831 | D | 90.1 | Very high | 90 | Very high | 87 Ų | 87 | 65.3 Ų | 65.3 | 47% | 0.465 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 178.7 | -69.7 | -22.9 | 0 | 0 | 0 | 111.5 | Q827 L829 R835 | Q827-D831 WeakPolarHBondContact O-CB 3.09Å; Q827-D831 PolarHBondContact O-N 2.57Å; L829-D831 PolarHBondContact O-N 3.38Å; D831-R835 WeakPolarHBondContact O-CB 3.46Å; D831-R835 PolarHBondContact O-N 3.06Å |
| 832 | T | 89.3 | Confident | 90.1 | Very high | 4 Ų | 4 | 59.4 Ų | 59.4 | 3% | 0.025 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.5 | -45.6 | 176.9 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | C687 E689 V828 L829 L830 R835 K836 | C687-T832 HydrophobicContact CB-CG2 3.83Å; E689-T832 HydrophobicContact CG-CG2 4.36Å; V828-T832 VanDerWaalsContact O-CB 3.26Å; V828-T832 WeakPolarHBondContact O-CB 3.42Å; V828-T832 PolarHBondContact O-N 3.01Å; V828-T832 PolarHBondContact O-OG1 2.72Å; L829-T832 PolarHBondContact O-N 3.04Å; L830-T832 VanDerWaalsContact C-N 3.34Å; L830-T832 PolarHBondContact O-N 2.92Å; T832-R835 PolarHBondContact O-N 2.71Å; T832-K836 HydrophobicContact CG2-CD 4.29Å; T832-K836 PolarHBondContact O-N 3.16Å |
| 833 | R | 91.3 | Very high | 90.3 | Very high | 16 Ų | 16 | 56.8 Ų | 56.8 | 6% | 0.06 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63 | -44.7 | 177.6 | -72.7 | -175.3 | 77 | 77.9 | 3 | 111.5 | L686 C687 L829 L830 R835 K836 G837 L838 K839 G841 | L686-R833 WeakPolarHBondContact O-CD 3.36Å; L686-R833 PolarHBondContact O-NH1 3.16Å; C687-R833 HydrophobicContact CB-CG 3.8Å; L829-R833 VanDerWaalsContact CD2-CD 3.45Å; L829-R833 HydrophobicContact CD2-CG 4.16Å; L829-R833 WeakPolarHBondContact O-CB 3.3Å; L829-R833 VanDerWaalsContact O-CG 3.29Å; L829-R833 WeakPolarHBondContact O-CG 3.33Å; L829-R833 PolarHBondContact O-N 2.66Å; L830-R833 PolarHBondContact O-N 2.74Å; R833-R835 VanDerWaalsContact C-N 3.34Å; R833-R835 PolarHBondContact O-N 2.62Å; R833-K836 CarbonylContact O-C 3.5Å; R833-K836 PolarHBondContact O-N 2.81Å; R833-G837 PolarHBondContact O-N 2.79Å; R833-L838 HydrophobicContact CB-CB 3.99Å; R833-L838 HydrophobicContact CG-CB 4.25Å; R833-L838 HydrophobicContact CG-CD1 4.16Å; R833-L838 PolarHBondContact O-N 2.74Å; R833-K839 PolarHBondContact NE-O 2.96Å; R833-K839 PolarHBondContact NH2-O 3.05Å; R833-G841 VanDerWaalsContact CZ-O 3.29Å; R833-G841 PolarHBondContact NE-O 3.38Å; R833-G841 PolarHBondContact NH2-O 3.15Å |
| 834 | K | 88.9 | Confident | 90.3 | Very high | 158 Ų | 158 | 60.6 Ų | 60.6 | 69% | 0.687 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -59.6 | -45 | 176.6 | -176.4 | 179.2 | 179.4 | -178.9 | 0 | 111.5 | L830 G837 | L830-K834 VanDerWaalsContact O-CB 3.3Å; L830-K834 WeakPolarHBondContact O-CB 3.46Å; L830-K834 PolarHBondContact O-N 3.38Å; K834-G837 PolarHBondContact O-N 2.92Å |
| 835 | R | 83.4 | Confident | 90.4 | Very high | 75 Ų | 75 | 60 Ų | 60 | 28% | 0.283 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.3 | -47.5 | 176 | -176.4 | -179.5 | 68.1 | -127 | 1.8 | 111.6 | E689 D831 T832 R833 G837 | E689-R835 IonicContact OE1-NH2 3.66Å; D831-R835 WeakPolarHBondContact O-CB 3.46Å; D831-R835 PolarHBondContact O-N 3.06Å; T832-R835 PolarHBondContact O-N 2.71Å; R833-R835 VanDerWaalsContact C-N 3.34Å; R833-R835 PolarHBondContact O-N 2.62Å; R835-G837 PolarHBondContact O-N 3.18Å |
| 836 | K | 84.6 | Confident | 90.4 | Very high | 27 Ų | 27 | 63.9 Ų | 63.9 | 12% | 0.117 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -1 | 179.1 | -69.4 | -177.5 | -179.4 | 169.7 | 0 | 114.5 | C687 E688 E689 T832 R833 L838 | C687-K836 WeakPolarHBondContact O-CD 3.48Å; C687-K836 PolarHBondContact O-NZ 3.37Å; E688-K836 HydrophobicContact CB-CD 4.33Å; E688-K836 PolarHBondContact O-NZ 3.23Å; E689-K836 WeakPolarHBondContact OE1-CE 3.47Å; E689-K836 IonicContact OE1-NZ 3.32Å; E689-K836 PolarHBondContact OE1-NZ 3.08Å; T832-K836 HydrophobicContact CG2-CD 4.29Å; T832-K836 PolarHBondContact O-N 3.16Å; R833-K836 CarbonylContact O-C 3.5Å; R833-K836 PolarHBondContact O-N 2.81Å; K836-L838 VanDerWaalsContact C-N 3.26Å; K836-L838 HydrophobicContact CB-CD1 4.02Å; K836-L838 HydrophobicContact CB-CG 3.8Å; K836-L838 HydrophobicContact CD-CD1 4.24Å; K836-L838 PolarHBondContact O-N 3.13Å |
| 837 | G | 85.5 | Confident | 90.4 | Very high | 66 Ų | 66 | 68 Ų | 68 | 68% | 0.68 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 21.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | R833 K834 R835 | R833-G837 PolarHBondContact O-N 2.79Å; K834-G837 PolarHBondContact O-N 2.92Å; R835-G837 PolarHBondContact O-N 3.18Å |
| 838 | L | 88.7 | Confident | 90.6 | Very high | 33 Ų | 33 | 64.6 Ų | 64.6 | 17% | 0.173 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 151.8 | 179.1 | -57 | 176.8 | 0 | 0 | 0 | 111.1 | E688 R833 K836 E840 | E688-L838 HydrophobicContact CB-CD1 4.16Å; E688-L838 VanDerWaalsContact CD-CD2 3.49Å; E688-L838 HydrophobicContact CG-CD1 3.77Å; E688-L838 HydrophobicContact CG-CD2 4.45Å; E688-L838 WeakPolarHBondContact OE1-CD2 3.42Å; E688-L838 WeakPolarHBondContact OE2-CD2 3.41Å; R833-L838 HydrophobicContact CB-CB 3.99Å; R833-L838 HydrophobicContact CG-CB 4.25Å; R833-L838 HydrophobicContact CG-CD1 4.16Å; R833-L838 PolarHBondContact O-N 2.74Å; K836-L838 VanDerWaalsContact C-N 3.26Å; K836-L838 HydrophobicContact CB-CD1 4.02Å; K836-L838 HydrophobicContact CB-CG 3.8Å; K836-L838 HydrophobicContact CD-CD1 4.24Å; K836-L838 PolarHBondContact O-N 3.13Å; L838-E840 PolarHBondContact O-N 3.08Å |
| 839 | K | 90 | Very high | 90.7 | Very high | 179 Ų | 179 | 65.5 Ų | 65.5 | 78% | 0.778 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 133.4 | 174.5 | -175.5 | -179.4 | 178 | -176.2 | 0 | 110.4 | R833 | R833-K839 PolarHBondContact NE-O 2.96Å; R833-K839 PolarHBondContact NH2-O 3.05Å |
| 840 | E | 87.1 | Confident | 90.8 | Very high | 160 Ų | 160 | 67.1 Ų | 67.1 | 75% | 0.748 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -58.2 | 143.2 | 178.7 | -66 | -175 | 170.7 | 0 | 0 | 112.3 | L838 | L838-E840 PolarHBondContact O-N 3.08Š|
| 841 | G | 86.7 | Confident | 90.6 | Very high | 28 Ų | 28 | 72.4 Ų | 72.4 | 29% | 0.289 | 38% | 0.375 | S | S | . | . | S | Bend | trans | 82 | 162.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R833 | R833-G841 VanDerWaalsContact CZ-O 3.29Å; R833-G841 PolarHBondContact NE-O 3.38Å; R833-G841 PolarHBondContact NH2-O 3.15Å |
| 842 | I | 91.3 | Very high | 90.1 | Very high | 37 Ų | 37 | 75.5 Ų | 75.5 | 19% | 0.19 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 134.1 | 175.8 | -61.4 | 170.3 | 0 | 0 | 0 | 108.7 | L686 L728 P818 F819 L829 D844 | L686-I842 HydrophobicContact CD2-CD1 4.06Å; L686-I842 HydrophobicContact CD2-CG1 4.24Å; L686-I842 HydrophobicContact CD2-CG2 3.84Å; L728-I842 HydrophobicContact CD2-CG2 3.87Å; P818-I842 HydrophobicContact CB-CD1 4.35Å; F819-I842 HydrophobicContact CD1-CD1 3.58Å; F819-I842 HydrophobicContact CD2-CD1 4.17Å; F819-I842 HydrophobicContact CE1-CB 4.21Å; F819-I842 HydrophobicContact CE1-CD1 3.58Å; F819-I842 HydrophobicContact CE1-CG1 4.49Å; F819-I842 HydrophobicContact CE1-CG2 3.76Å; F819-I842 HydrophobicContact CE2-CD1 4.17Å; F819-I842 HydrophobicContact CG-CD1 3.88Å; F819-I842 HydrophobicContact CZ-CD1 3.89Å; F819-I842 HydrophobicContact CZ-CG2 4.09Å; L829-I842 HydrophobicContact CD1-CD1 3.82Å; L829-I842 HydrophobicContact CD1-CG1 3.66Å; L829-I842 HydrophobicContact CD2-CG1 3.95Å; L829-I842 HydrophobicContact CG-CG1 4.5Å; I842-D844 PolarHBondContact O-N 2.59Å |
| 843 | P | 92.9 | Very high | 90.2 | Very high | 23 Ų | 23 | 79.1 Ų | 79.1 | 15% | 0.149 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -54 | 132.2 | 173.5 | -30.4 | 39 | 0 | 0 | 0 | 113 | V685 Y848 | V685-P843 HydrophobicContact CG2-CB 4.41Å; V685-P843 HydrophobicContact CG2-CG 4.41Å; V685-P843 WeakPolarHBondContact O-CD 3.43Å; P843-Y848 HydrophobicContact CB-CE2 3.6Å |
| 844 | D | 93.8 | Very high | 90.1 | Very high | 98 Ų | 98 | 82.4 Ų | 82.4 | 52% | 0.524 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 140.7 | 178 | -167.6 | -83.5 | 0 | 0 | 0 | 111.6 | I842 S846 N847 | I842-D844 PolarHBondContact O-N 2.59Å; D844-S846 PolarHBondContact O-N 3.16Å; D844-S846 WeakPolarHBondContact OD1-CB 3.42Å; D844-S846 PolarHBondContact OD1-N 3.14Å; D844-S846 PolarHBondContact OD1-OG 3.15Å; D844-N847 PolarHBondContact N-ND2 3.15Å; D844-N847 WeakPolarHBondContact O-CB 3.45Å; D844-N847 PolarHBondContact O-N 3.29Å; D844-N847 VanDerWaalsContact O-N 3.08Å; D844-N847 PolarHBondContact O-ND2 2.86Å |
| 845 | L | 94.8 | Very high | 90.2 | Very high | 48 Ų | 48 | 78.2 Ų | 78.2 | 25% | 0.251 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -54.8 | -34.7 | 178.6 | 177 | 60.9 | 0 | 0 | 0 | 112.5 | A725 L728 T729 N847 Y848 L849 | A725-L845 HydrophobicContact CB-CD1 4.02Å; L728-L845 HydrophobicContact CB-CD1 4.02Å; L728-L845 HydrophobicContact CD1-CD1 4.41Å; T729-L845 HydrophobicContact CG2-CD1 3.85Å; T729-L845 HydrophobicContact CG2-CD2 3.68Å; T729-L845 HydrophobicContact CG2-CG 4.44Å; L845-N847 PolarHBondContact O-N 3.17Å; L845-N847 VanDerWaalsContact O-N 3.14Å; L845-Y848 PolarHBondContact O-N 3.41Å; L845-L849 HydrophobicContact CD1-CB 3.89Å; L845-L849 HydrophobicContact CD1-CD2 4.3Å; L845-L849 HydrophobicContact CD2-CD2 3.94Å; L845-L849 HydrophobicContact CG-CB 3.98Å; L845-L849 HydrophobicContact CG-CD2 4.02Å; L845-L849 WeakPolarHBondContact O-CB 3.49Å; L845-L849 PolarHBondContact O-N 2.74Å |
| 846 | S | 94.4 | Very high | 90.6 | Very high | 83 Ų | 83 | 78.4 Ų | 78.4 | 58% | 0.58 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -63.2 | -17.9 | -179.7 | 63.5 | 0 | 0 | 0 | 0 | 114.2 | D844 Y848 | D844-S846 PolarHBondContact O-N 3.16Å; D844-S846 WeakPolarHBondContact OD1-CB 3.42Å; D844-S846 PolarHBondContact OD1-N 3.14Å; D844-S846 PolarHBondContact OD1-OG 3.15Å; S846-Y848 PolarHBondContact O-N 3.19Å |
| 847 | N | 93.8 | Very high | 91 | Very high | 90 Ų | 90 | 81.6 Ų | 81.6 | 48% | 0.481 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -69.4 | -26 | 173.6 | -62 | -45 | 0 | 0 | 0 | 112.1 | R721 D844 L845 | R721-N847 PolarHBondContact NE-O 3.36Å; R721-N847 PolarHBondContact NH2-O 3.22Å; R721-N847 VanDerWaalsContact NH2-O 3.13Å; D844-N847 PolarHBondContact N-ND2 3.15Å; D844-N847 WeakPolarHBondContact O-CB 3.45Å; D844-N847 PolarHBondContact O-N 3.29Å; D844-N847 VanDerWaalsContact O-N 3.08Å; D844-N847 PolarHBondContact O-ND2 2.86Å; L845-N847 PolarHBondContact O-N 3.17Å; L845-N847 VanDerWaalsContact O-N 3.14Å |
| 848 | Y | 96.2 | Very high | 91.3 | Very high | 46 Ų | 46 | 82.6 Ų | 82.6 | 18% | 0.18 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | -30.6 | -169.7 | -55.4 | -63.2 | 0 | 0 | 0 | 113.8 | V685 R721 Y724 L728 P843 L845 S846 | V685-Y848 HydrophobicContact CG2-CD2 4.5Å; V685-Y848 HydrophobicContact CG2-CE2 3.82Å; R721-Y848 HydrophobicContact CB-CD1 4.38Å; R721-Y848 HydrophobicContact CG-CD1 4.17Å; R721-Y848 WeakPolarHBondContact O-CB 3.49Å; Y724-Y848 HydrophobicContact CD2-CD1 4.05Å; Y724-Y848 AromaticContact CD2-CE1 3.65Å; Y724-Y848 HydrophobicContact CD2-CE1 3.65Å; Y724-Y848 AromaticContact CD2-CZ 3.92Å; Y724-Y848 HydrophobicContact CE2-CE1 4.44Å; L728-Y848 HydrophobicContact CD1-CD2 3.69Å; L728-Y848 HydrophobicContact CD1-CE2 4.02Å; P843-Y848 HydrophobicContact CB-CE2 3.6Å; L845-Y848 PolarHBondContact O-N 3.41Å; S846-Y848 PolarHBondContact O-N 3.19Å |
| 849 | L | 96.1 | Very high | 91.5 | Very high | 38 Ų | 38 | 86.1 Ų | 86.1 | 20% | 0.199 | 44% | 0.441 | C | S | . | . | trans | -89.6 | 111.7 | -178 | -176.5 | 64.4 | 0 | 0 | 0 | 111.5 | C585 A725 L845 | C585-L849 HydrophobicContact CB-CD1 4.04Å; A725-L849 HydrophobicContact CB-CB 4.24Å; A725-L849 HydrophobicContact CB-CD1 4.47Å; L845-L849 HydrophobicContact CD1-CB 3.89Å; L845-L849 HydrophobicContact CD1-CD2 4.3Å; L845-L849 HydrophobicContact CD2-CD2 3.94Å; L845-L849 HydrophobicContact CG-CB 3.98Å; L845-L849 HydrophobicContact CG-CD2 4.02Å; L845-L849 WeakPolarHBondContact O-CB 3.49Å; L845-L849 PolarHBondContact O-N 2.74Å | ||
| 850 | D | 94.7 | Very high | 91.6 | Very high | 36 Ų | 36 | 79 Ų | 79 | 19% | 0.193 | 42% | 0.415 | C | S | . | . | trans | -87.6 | 143.6 | 174 | -68.3 | -29.3 | 0 | 0 | 0 | 111.3 | L586 K588 R721 | L586-D850 HydrophobicContact CG-CB 4.28Å; L586-D850 PolarHBondContact O-N 2.88Å; K588-D850 WeakPolarHBondContact CB-OD2 3.28Å; K588-D850 HydrophobicContact CD-CB 4.26Å; K588-D850 HydrophobicContact CG-CB 4.09Å; K588-D850 PolarHBondContact N-OD2 3.21Å; R721-D850 IonicContact CZ-OD1 3.86Å; R721-D850 IonicContact CZ-OD2 3.54Å; R721-D850 IonicContact NH1-OD1 3.29Å; R721-D850 PolarHBondContact NH1-OD1 3.12Å; R721-D850 IonicContact NH1-OD2 3.38Å; R721-D850 PolarHBondContact NH1-OD2 3.45Å; R721-D850 IonicContact NH2-OD1 3.06Å; R721-D850 PolarHBondContact NH2-OD1 3.3Å; R721-D850 IonicContact NH2-OD2 2.79Å | ||
| 851 | K | 89.9 | Confident | 92 | Very high | 189 Ų | 189 | 72.3 Ų | 72.3 | 82% | 0.822 | 39% | 0.387 | S | S | * | . | trans | -83 | 149.1 | 169 | -64 | -177.8 | -178.8 | 179.7 | 0 | 110.1 | K588 | K588-K851 WeakPolarHBondContact CE-O 3.19Å; K588-K851 PolarHBondContact NZ-O 3.06Å | ||
| 852 | L | 79.6 | Confident | 92.5 | Very high | 151 Ų | 151 | 76.3 Ų | 76.3 | 79% | 0.791 | 40% | 0.396 | S | S | * | . | trans | -55.3 | 0 | 178.6 | -100.5 | 161.6 | 0 | 0 | 0 | 113.5 | L586 K588 F597 | L586-L852 HydrophobicContact CD2-CB 4.45Å; L586-L852 HydrophobicContact CD2-CD2 4.22Å; L586-L852 HydrophobicContact CD2-CG 3.87Å; K588-L852 WeakPolarHBondContact CE-OXT 3.4Å; K588-L852 PolarHBondContact NZ-OXT 3.14Å; F597-L852 HydrophobicContact CZ-CD2 4.19Å |
Retrieved 852 of 852 residues in 781.3 ms
(Link to these results)