| 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 | 93.1 | Very high | 96.1 | Very high | 76 Ų | 76 | 26.7 Ų | 26.7 | 37% | 0.374 | 14% | 0.137 | S | C | . | . | 0 | 139.7 | 0 | -53.2 | -44.1 | -77.3 | 0 | 0 | 109.6 | A17 Y18 C19 N25 V27 Y29 | M1-A17 HydrophobicContact CB-CB 4Å; M1-A17 VanDerWaalsContact CE-O 3.31Å; M1-A17 WeakPolarHBondContact CE-O 3.46Å; M1-Y18 CarbonylContact C-O 3.47Å; M1-Y18 WeakPolarHBondContact CA-O 3.11Å; M1-Y18 VanDerWaalsContact CE-C 3.45Å; M1-C19 HydrophobicContact CE-CB 4.14Å; M1-C19 HydrophobicContact SD-CB 3.82Å; M1-N25 WeakPolarHBondContact CE-O 3.45Å; M1-V27 HydrophobicContact CE-CG1 4.27Å; M1-V27 HydrophobicContact CE-CG2 3.91Å; M1-Y29 VanDerWaalsContact CB-OH 3.3Å; M1-Y29 WeakPolarHBondContact CB-OH 3.29Å; M1-Y29 VanDerWaalsContact CG-OH 3.29Å; M1-Y29 WeakPolarHBondContact CG-OH 3.5Å | |||
| 2 | T | 94.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.012 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 119.2 | 176.4 | -61.1 | 0 | 0 | 0 | 0 | 107.9 | A17 Y18 E227 A230 Y233 | T2-A17 CarbonylContact O-C 3.58Å; T2-A17 WeakPolarHBondContact O-CA 3.2Å; T2-A17 VanDerWaalsContact O-CB 3.3Å; T2-A17 WeakPolarHBondContact O-CB 3.03Å; T2-Y18 HydrophobicContact CG2-CD1 4.47Å; T2-Y18 HydrophobicContact CG2-CE1 3.62Å; T2-Y18 PolarHBondContact N-O 3.32Å; T2-Y18 WeakPolarHBondContact O-CD1 3.31Å; T2-Y18 PolarHBondContact O-N 2.97Å; T2-E227 HydrophobicContact CG2-CB 3.76Å; T2-E227 HydrophobicContact CG2-CG 3.74Å; T2-E227 WeakPolarHBondContact CG2-OE1 3.29Å; T2-A230 HydrophobicContact CG2-CB 4.12Å; T2-Y233 HydrophobicContact CG2-CD2 4.07Å; T2-Y233 HydrophobicContact CG2-CE2 3.55Å |
| 3 | P | 95.3 | Very high | 96.4 | Very high | 26 Ų | 26 | 27.7 Ų | 27.7 | 17% | 0.169 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 139.9 | 179.6 | 33.6 | -34.8 | 0 | 0 | 0 | 110.2 | I15 S16 L225 E227 | P3-I15 HydrophobicContact CB-CG2 3.73Å; P3-S16 CarbonylContact C-O 3.47Å; P3-S16 WeakPolarHBondContact CA-O 3.46Å; P3-L225 HydrophobicContact CB-CD1 4.01Å; P3-L225 HydrophobicContact CB-CD2 4.11Å; P3-L225 HydrophobicContact CB-CG 4.29Å; P3-L225 HydrophobicContact CG-CD1 4.4Å; P3-E227 WeakPolarHBondContact O-CG 3.47Å |
| 4 | Q | 93.3 | Very high | 96.6 | Very high | 19 Ų | 19 | 25.7 Ų | 25.7 | 9% | 0.089 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | -45.6 | -176.5 | -156.4 | -179.6 | -32.7 | 0 | 0 | 112.3 | S16 Y18 H49 G51 E213 Q214 | Q4-S16 PolarHBondContact N-O 3.42Å; Q4-Y18 HydrophobicContact CB-CD1 4.32Å; Q4-Y18 HydrophobicContact CB-CE1 4.37Å; Q4-Y18 VanDerWaalsContact OE1-CD1 3.28Å; Q4-H49 PolarHBondContact OE1-ND1 3.27Å; Q4-H49 PolarHBondContact OE1-O 3.08Å; Q4-G51 CarbonylContact C-O 3.57Å; Q4-G51 VanDerWaalsContact CD-CA 3.47Å; Q4-G51 VanDerWaalsContact NE2-CA 3.27Å; Q4-E213 HydrophobicContact CG-CG 4.32Å; Q4-E213 WeakPolarHBondContact O-CB 3.31Å; Q4-Q214 WeakPolarHBondContact O-CB 3.46Å; Q4-Q214 PolarHBondContact O-N 2.9Å |
| 5 | G | 95.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 154.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | I15 S16 G51 L225 | G5-I15 CarbonylContact O-C 3.53Å; G5-I15 VanDerWaalsContact O-CA 3.3Å; G5-I15 WeakPolarHBondContact O-CA 3.42Å; G5-S16 WeakPolarHBondContact CA-OG 3.35Å; G5-S16 PolarHBondContact N-OG 3.48Å; G5-S16 PolarHBondContact O-N 3.01Å; G5-G51 WeakPolarHBondContact CA-O 3.41Å; G5-L225 VanDerWaalsContact O-CD2 3.29Å; G5-L225 WeakPolarHBondContact O-CD2 3.38Å |
| 6 | L | 97 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 130 | -172.4 | -174.4 | 74.8 | 0 | 0 | 0 | 110.2 | L13 L14 I15 Q214 H216 F223 L225 V244 | L6-L13 HydrophobicContact CD1-CD1 3.45Å; L6-L13 VanDerWaalsContact CD1-CD1 3.45Å; L6-L13 HydrophobicContact CD1-CG 4.44Å; L6-L13 HydrophobicContact CG-CD1 4.36Å; L6-L14 WeakPolarHBondContact CA-O 3.44Å; L6-I15 HydrophobicContact CD1-CD1 4.46Å; L6-I15 HydrophobicContact CD1-CG1 3.78Å; L6-Q214 HydrophobicContact CB-CB 4.01Å; L6-Q214 HydrophobicContact CB-CG 4.04Å; L6-Q214 PolarHBondContact O-NE2 2.92Å; L6-Q214 PolarHBondContact O-OE1 2.9Å; L6-H216 HydrophobicContact CD2-CB 4.37Å; L6-F223 HydrophobicContact CD2-CB 3.82Å; L6-L225 HydrophobicContact CB-CB 4.22Å; L6-L225 HydrophobicContact CB-CD2 4.09Å; L6-L225 HydrophobicContact CD2-CB 4.26Å; L6-V244 HydrophobicContact CD1-CG1 4.4Å; L6-V244 HydrophobicContact CD1-CG2 3.88Å; L6-V244 HydrophobicContact CD2-CG1 4.21Å |
| 7 | T | 97.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 160.4 | 163.5 | -166.4 | 0 | 0 | 0 | 0 | 110.6 | L14 L53 Y55 I62 | T7-L14 HydrophobicContact CG2-CB 4.03Å; T7-L14 HydrophobicContact CG2-CD1 4.17Å; T7-L14 HydrophobicContact CG2-CG 4.49Å; T7-L14 PolarHBondContact N-O 3.26Å; T7-L14 PolarHBondContact O-N 2.8Å; T7-L53 HydrophobicContact CG2-CB 3.86Å; T7-L53 HydrophobicContact CG2-CD1 4.4Å; T7-Y55 WeakPolarHBondContact OG1-CB 3.4Å; T7-Y55 PolarHBondContact OG1-N 3.16Å; T7-I62 HydrophobicContact CG2-CD1 4.35Å; T7-I62 HydrophobicContact CG2-CG2 4.48Å |
| 8 | L | 98 | Very high | 96.3 | Very high | 6 Ų | 6 | 21.5 Ų | 21.5 | 3% | 0.031 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 143.5 | 171.3 | -62.9 | 178.8 | 0 | 0 | 0 | 110.1 | L13 Y55 E218 F223 | L8-L13 HydrophobicContact CD2-CB 4.08Å; L8-L13 HydrophobicContact CD2-CD1 3.47Å; L8-L13 VanDerWaalsContact CD2-CD1 3.47Å; L8-L13 HydrophobicContact CD2-CG 4.41Å; L8-Y55 VanDerWaalsContact O-CB 3.31Å; L8-Y55 WeakPolarHBondContact O-CB 3.3Å; L8-Y55 WeakPolarHBondContact O-CD1 3.44Å; L8-E218 HydrophobicContact CD1-CB 4.32Å; L8-E218 WeakPolarHBondContact CD1-OE2 3.2Å; L8-F223 HydrophobicContact CD1-CD1 4.44Å; L8-F223 HydrophobicContact CD1-CD2 3.7Å; L8-F223 HydrophobicContact CD1-CE1 4.22Å; L8-F223 HydrophobicContact CD1-CE2 3.45Å; L8-F223 VanDerWaalsContact CD1-CE2 3.45Å; L8-F223 HydrophobicContact CD1-CG 4.2Å; L8-F223 HydrophobicContact CD1-CZ 3.73Å |
| 9 | T | 98.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.012 | 10% | 0.104 | C | C | . | . | trans | -112.8 | -174.2 | 160.9 | 76.7 | 0 | 0 | 0 | 0 | 109 | D11 Y12 L14 R33 Y55 I62 L79 | T9-D11 VanDerWaalsContact C-N 3.27Å; T9-D11 PolarHBondContact O-N 2.84Å; T9-D11 PolarHBondContact OG1-N 3.17Å; T9-Y12 PolarHBondContact N-O 3.1Å; T9-Y12 WeakPolarHBondContact OG1-CB 2.95Å; T9-Y12 WeakPolarHBondContact OG1-CD2 3.15Å; T9-Y12 PolarHBondContact OG1-N 3.23Å; T9-L14 HydrophobicContact CG2-CD1 3.88Å; T9-L14 HydrophobicContact CG2-CG 4.34Å; T9-R33 WeakPolarHBondContact O-CD 3.41Å; T9-R33 PolarHBondContact O-NH1 3Å; T9-Y55 HydrophobicContact CG2-CD1 4.1Å; T9-Y55 HydrophobicContact CG2-CD2 4.05Å; T9-Y55 HydrophobicContact CG2-CE1 4.24Å; T9-Y55 HydrophobicContact CG2-CE2 4.15Å; T9-Y55 HydrophobicContact CG2-CG 4Å; T9-I62 HydrophobicContact CG2-CD1 3.8Å; T9-L79 HydrophobicContact CG2-CD1 4.04Å; T9-L79 HydrophobicContact CG2-CD2 4Å | ||
| 10 | E | 96.7 | Very high | 95.6 | Very high | 73 Ų | 73 | 23.8 Ų | 23.8 | 34% | 0.341 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -57.4 | -43.6 | 176.1 | -56.9 | 80.4 | -171.1 | 0 | 0 | 111.3 | R33 Y55 R60 | E10-R33 VanDerWaalsContact O-CD 3.26Å; E10-R33 WeakPolarHBondContact O-CD 3.35Å; E10-R33 PolarHBondContact O-NH1 2.83Å; E10-Y55 WeakPolarHBondContact OE1-CE1 3.4Å; E10-Y55 PolarHBondContact OE1-OH 3.41Å; E10-Y55 PolarHBondContact OE2-OH 2.79Å; E10-R60 VanDerWaalsContact CD-NH1 3.33Å; E10-R60 IonicContact OE1-NH1 3.8Å; E10-R60 PolarHBondContact OE1-NH1 2.95Å; E10-R60 IonicContact OE2-CZ 3.14Å; E10-R60 IonicContact OE2-NH1 3.95Å; E10-R60 PolarHBondContact OE2-NH1 2.74Å; E10-R60 IonicContact OE2-NH2 2.69Å |
| 11 | D | 98.1 | Very high | 95.2 | Very high | 89 Ų | 89 | 27 Ų | 27 | 48% | 0.476 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -111.9 | -13.3 | -171.4 | -57.8 | -49.3 | 0 | 0 | 0 | 114.3 | T9 R33 | T9-D11 VanDerWaalsContact C-N 3.27Å; T9-D11 PolarHBondContact O-N 2.84Å; T9-D11 PolarHBondContact OG1-N 3.17Å; D11-R33 VanDerWaalsContact C-CB 3.49Å; D11-R33 WeakPolarHBondContact O-CB 3.17Å; D11-R33 PolarHBondContact O-N 2.69Å |
| 12 | Y | 98.5 | Very high | 94.8 | Very high | 44 Ų | 44 | 27.6 Ų | 27.6 | 17% | 0.173 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 144.7 | -169.6 | -49.2 | -65.3 | 0 | 0 | 0 | 114.2 | T9 V30 L31 L39 L79 E83 | T9-Y12 PolarHBondContact N-O 3.1Å; T9-Y12 WeakPolarHBondContact OG1-CB 2.95Å; T9-Y12 WeakPolarHBondContact OG1-CD2 3.15Å; T9-Y12 PolarHBondContact OG1-N 3.23Å; Y12-V30 HydrophobicContact CD1-CG1 3.67Å; Y12-V30 HydrophobicContact CE1-CG1 4.22Å; Y12-V30 HydrophobicContact CG-CG1 3.86Å; Y12-L31 VanDerWaalsContact CA-O 3.27Å; Y12-L31 WeakPolarHBondContact CA-O 3.34Å; Y12-L39 HydrophobicContact CD1-CD1 3.94Å; Y12-L39 HydrophobicContact CE1-CD1 3.67Å; Y12-L79 HydrophobicContact CD2-CD1 4.02Å; Y12-L79 HydrophobicContact CE2-CD1 4.28Å; Y12-E83 HydrophobicContact CE2-CG 3.87Å |
| 13 | L | 98.2 | Very high | 94.5 | Very high | 22 Ų | 22 | 34.2 Ų | 34.2 | 12% | 0.115 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 118.4 | 157.7 | 171.3 | 68.7 | 0 | 0 | 0 | 107.8 | L6 L8 I15 L31 V244 | L6-L13 HydrophobicContact CD1-CD1 3.45Å; L6-L13 VanDerWaalsContact CD1-CD1 3.45Å; L6-L13 HydrophobicContact CD1-CG 4.44Å; L6-L13 HydrophobicContact CG-CD1 4.36Å; L8-L13 HydrophobicContact CD2-CB 4.08Å; L8-L13 HydrophobicContact CD2-CD1 3.47Å; L8-L13 VanDerWaalsContact CD2-CD1 3.47Å; L8-L13 HydrophobicContact CD2-CG 4.41Å; L13-I15 HydrophobicContact CD2-CD1 4.34Å; L13-I15 HydrophobicContact CG-CD1 4.45Å; L13-I15 HydrophobicContact CG-CG1 4.31Å; L13-L31 HydrophobicContact CB-CB 4.1Å; L13-L31 HydrophobicContact CD2-CB 4.45Å; L13-L31 HydrophobicContact CD2-CD2 4.03Å; L13-L31 PolarHBondContact N-O 3.26Å; L13-L31 PolarHBondContact O-N 3.39Å; L13-V244 HydrophobicContact CD2-CG2 4.15Å |
| 14 | L | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 127.9 | -179.5 | -57.4 | -175.2 | 0 | 0 | 0 | 110 | L6 T7 T9 I28 Y29 V30 L53 I62 I82 | L6-L14 WeakPolarHBondContact CA-O 3.44Å; T7-L14 HydrophobicContact CG2-CB 4.03Å; T7-L14 HydrophobicContact CG2-CD1 4.17Å; T7-L14 HydrophobicContact CG2-CG 4.49Å; T7-L14 PolarHBondContact N-O 3.26Å; T7-L14 PolarHBondContact O-N 2.8Å; T9-L14 HydrophobicContact CG2-CD1 3.88Å; T9-L14 HydrophobicContact CG2-CG 4.34Å; L14-I28 HydrophobicContact CB-CG2 4.02Å; L14-I28 HydrophobicContact CD2-CG2 4.22Å; L14-Y29 WeakPolarHBondContact CA-O 3.34Å; L14-V30 HydrophobicContact CD2-CB 4.09Å; L14-V30 HydrophobicContact CD2-CG1 3.85Å; L14-V30 HydrophobicContact CD2-CG2 3.95Å; L14-L53 HydrophobicContact CB-CD1 4.23Å; L14-I62 HydrophobicContact CD1-CD1 3.55Å; L14-I62 HydrophobicContact CD1-CG1 3.81Å; L14-I62 HydrophobicContact CD1-CG2 4.43Å; L14-I82 HydrophobicContact CD1-CD1 4.34Å |
| 15 | I | 97.6 | Very high | 94.1 | Very high | 16 Ų | 16 | 40.2 Ų | 40.2 | 8% | 0.082 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 116.9 | 179.5 | -57.5 | 175 | 0 | 0 | 0 | 108.9 | P3 G5 L6 L13 I28 Y29 L31 L225 V244 | P3-I15 HydrophobicContact CB-CG2 3.73Å; G5-I15 CarbonylContact O-C 3.53Å; G5-I15 VanDerWaalsContact O-CA 3.3Å; G5-I15 WeakPolarHBondContact O-CA 3.42Å; L6-I15 HydrophobicContact CD1-CD1 4.46Å; L6-I15 HydrophobicContact CD1-CG1 3.78Å; L13-I15 HydrophobicContact CD2-CD1 4.34Å; L13-I15 HydrophobicContact CG-CD1 4.45Å; L13-I15 HydrophobicContact CG-CG1 4.31Å; I15-I28 CarbonylContact O-C 3.44Å; I15-I28 WeakPolarHBondContact O-CA 3.5Å; I15-Y29 HydrophobicContact CB-CD2 4.47Å; I15-Y29 HydrophobicContact CG2-CD2 4.46Å; I15-Y29 PolarHBondContact N-O 3.11Å; I15-Y29 PolarHBondContact O-N 2.92Å; I15-L31 HydrophobicContact CD1-CD1 4.49Å; I15-L31 HydrophobicContact CD1-CD2 4.34Å; I15-L225 HydrophobicContact CD1-CD1 4.39Å; I15-L225 HydrophobicContact CG2-CD1 4.09Å; I15-L225 HydrophobicContact CG2-CD2 3.98Å; I15-V244 HydrophobicContact CD1-CG2 3.72Å; I15-V244 HydrophobicContact CG1-CG2 4.49Å |
| 16 | S | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 143.8 | 170.3 | 59.5 | 0 | 0 | 0 | 0 | 110.5 | P3 Q4 G5 V27 A50 | P3-S16 CarbonylContact C-O 3.47Å; P3-S16 WeakPolarHBondContact CA-O 3.46Å; Q4-S16 PolarHBondContact N-O 3.42Å; G5-S16 WeakPolarHBondContact CA-OG 3.35Å; G5-S16 PolarHBondContact N-OG 3.48Å; G5-S16 PolarHBondContact O-N 3.01Å; S16-V27 CarbonylContact C-O 3.6Å; S16-V27 VanDerWaalsContact CA-O 3.26Å; S16-V27 WeakPolarHBondContact CA-O 3.41Å; S16-A50 WeakPolarHBondContact CB-O 3.29Å; S16-A50 PolarHBondContact OG-O 2.96Å |
| 17 | A | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 135.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | M1 T2 S26 V27 Y29 | M1-A17 HydrophobicContact CB-CB 4Å; M1-A17 VanDerWaalsContact CE-O 3.31Å; M1-A17 WeakPolarHBondContact CE-O 3.46Å; T2-A17 CarbonylContact O-C 3.58Å; T2-A17 WeakPolarHBondContact O-CA 3.2Å; T2-A17 VanDerWaalsContact O-CB 3.3Å; T2-A17 WeakPolarHBondContact O-CB 3.03Å; A17-S26 CarbonylContact O-C 3.54Å; A17-S26 WeakPolarHBondContact O-CA 3.41Å; A17-V27 HydrophobicContact CB-CG2 4.16Å; A17-V27 PolarHBondContact N-O 3.37Å; A17-V27 PolarHBondContact O-N 2.59Å; A17-Y29 HydrophobicContact CB-CD2 4.32Å; A17-Y29 HydrophobicContact CB-CE2 3.66Å |
| 18 | Y | 93.4 | Very high | 93.8 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 4% | 0.043 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 160.9 | 174.9 | 71.5 | -81.8 | 0 | 0 | 0 | 111.4 | M1 T2 Q4 H20 S26 E227 Y233 | M1-Y18 CarbonylContact C-O 3.47Å; M1-Y18 WeakPolarHBondContact CA-O 3.11Å; M1-Y18 VanDerWaalsContact CE-C 3.45Å; T2-Y18 HydrophobicContact CG2-CD1 4.47Å; T2-Y18 HydrophobicContact CG2-CE1 3.62Å; T2-Y18 PolarHBondContact N-O 3.32Å; T2-Y18 WeakPolarHBondContact O-CD1 3.31Å; T2-Y18 PolarHBondContact O-N 2.97Å; Q4-Y18 HydrophobicContact CB-CD1 4.32Å; Q4-Y18 HydrophobicContact CB-CE1 4.37Å; Q4-Y18 VanDerWaalsContact OE1-CD1 3.28Å; Y18-H20 HydrophobicContact CE2-CB 4.37Å; Y18-S26 WeakPolarHBondContact CA-OG 3.32Å; Y18-S26 WeakPolarHBondContact CB-OG 3.45Å; Y18-E227 WeakPolarHBondContact CE1-OE1 3.33Å; Y18-E227 PolarHBondContact OH-OE1 3.33Å; Y18-Y233 PolarHBondContact OH-OH 2.96Å |
| 19 | C | 91.4 | Very high | 93.7 | Very high | 8 Ų | 8 | 43.2 Ų | 43.2 | 5% | 0.054 | 21% | 0.208 | C | C | . | . | trans | -85.5 | 116.7 | 171.6 | -155.1 | 0 | 0 | 0 | 0 | 109.7 | M1 D21 H22 H24 | M1-C19 HydrophobicContact CE-CB 4.14Å; M1-C19 HydrophobicContact SD-CB 3.82Å; C19-D21 PolarHBondContact O-N 3.23Å; C19-D21 PolarHBondContact SG-OD1 3Å; C19-H22 WeakPolarHBondContact O-CA 3.31Å; C19-H22 PolarHBondContact O-N 2.85Å; C19-H24 HydrophobicContact CB-CB 3.98Å; C19-H24 WeakPolarHBondContact CB-O 3.28Å; C19-H24 PolarHBondContact SG-ND1 2.9Å | ||
| 20 | H | 87.1 | Confident | 93.7 | Very high | 80 Ų | 80 | 43.2 Ų | 43.2 | 37% | 0.37 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -30.4 | -173.8 | -175.7 | 75.3 | 0 | 0 | 0 | 114.3 | Y18 H22 A232 Y233 | Y18-H20 HydrophobicContact CE2-CB 4.37Å; H20-H22 VanDerWaalsContact C-N 3.31Å; H20-A232 HydrophobicContact CB-CB 4.22Å; H20-A232 VanDerWaalsContact CD2-CB 3.49Å; H20-A232 WeakPolarHBondContact CD2-CB 3.42Å; H20-Y233 AromaticContact CE1-CZ 3.87Å; H20-Y233 PolarHBondContact CE1-OH 2.95Å; H20-Y233 AromaticContact ND1-CZ 3.96Å; H20-Y233 PolarHBondContact ND1-OH 3.03Å |
| 21 | D | 88.2 | Confident | 93.8 | Very high | 91 Ų | 91 | 41 Ų | 41 | 49% | 0.487 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 3.3 | 174.6 | 59.4 | 16.1 | 0 | 0 | 0 | 113 | C19 Q23 | C19-D21 PolarHBondContact O-N 3.23Å; C19-D21 PolarHBondContact SG-OD1 3Å; D21-Q23 HydrophobicContact CB-CG 4.11Å; D21-Q23 PolarHBondContact O-N 2.85Å; D21-Q23 PolarHBondContact O-NE2 2.88Å; D21-Q23 WeakPolarHBondContact OD1-CB 3.41Å; D21-Q23 WeakPolarHBondContact OD1-CG 3.19Å; D21-Q23 PolarHBondContact OD1-N 3.39Å |
| 22 | H | 84.1 | Confident | 93.8 | Very high | 89 Ų | 89 | 38.9 Ų | 38.9 | 41% | 0.412 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 55 | 26.3 | -178.2 | -56 | -83.6 | 0 | 0 | 0 | 114.8 | C19 H20 H49 | C19-H22 WeakPolarHBondContact O-CA 3.31Å; C19-H22 PolarHBondContact O-N 2.85Å; H20-H22 VanDerWaalsContact C-N 3.31Å; H22-H49 AromaticContact CE1-NE2 3.91Å |
| 23 | Q | 87.6 | Confident | 93.6 | Very high | 141 Ų | 141 | 40.4 Ų | 40.4 | 66% | 0.659 | 19% | 0.193 | S | C | * | . | trans | -88.4 | -20.7 | 179.5 | -60.4 | -53.8 | -57 | 0 | 0 | 114.4 | D21 | D21-Q23 HydrophobicContact CB-CG 4.11Å; D21-Q23 PolarHBondContact O-N 2.85Å; D21-Q23 PolarHBondContact O-NE2 2.88Å; D21-Q23 WeakPolarHBondContact OD1-CB 3.41Å; D21-Q23 WeakPolarHBondContact OD1-CG 3.19Å; D21-Q23 PolarHBondContact OD1-N 3.39Å | ||
| 24 | H | 88.7 | Confident | 93.4 | Very high | 113 Ų | 113 | 46.8 Ų | 46.8 | 52% | 0.523 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -126.7 | 149.5 | -176.3 | -49.5 | 99.1 | 0 | 0 | 0 | 110.4 | C19 L47 | C19-H24 HydrophobicContact CB-CB 3.98Å; C19-H24 WeakPolarHBondContact CB-O 3.28Å; C19-H24 PolarHBondContact SG-ND1 2.9Å; H24-L47 VanDerWaalsContact C-CD2 3.44Å; H24-L47 WeakPolarHBondContact O-CD2 3.35Å |
| 25 | N | 91.4 | Very high | 93.4 | Very high | 58 Ų | 58 | 51.2 Ų | 51.2 | 31% | 0.31 | 25% | 0.252 | S | S | . | . | trans | -51.6 | 146.4 | 172.4 | -68.9 | 92.6 | 0 | 0 | 0 | 111.6 | M1 I43 L44 D46 | M1-N25 WeakPolarHBondContact CE-O 3.45Å; N25-I43 HydrophobicContact CB-CG2 3.58Å; N25-L44 PolarHBondContact ND2-O 2.84Å; N25-D46 PolarHBondContact ND2-O 3.38Å | ||
| 26 | S | 92.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.014 | 27% | 0.268 | C | S | . | . | trans | -67 | 155 | 168.1 | -61.7 | 0 | 0 | 0 | 0 | 110.1 | A17 Y18 L44 P48 | A17-S26 CarbonylContact O-C 3.54Å; A17-S26 WeakPolarHBondContact O-CA 3.41Å; Y18-S26 WeakPolarHBondContact CA-OG 3.32Å; Y18-S26 WeakPolarHBondContact CB-OG 3.45Å; S26-L44 VanDerWaalsContact O-CB 3.31Å; S26-L44 WeakPolarHBondContact O-CB 3.43Å; S26-L44 PolarHBondContact O-N 2.76Å; S26-P48 WeakPolarHBondContact CB-O 3.45Å; S26-P48 PolarHBondContact OG-O 3.26Å | ||
| 27 | V | 94.4 | Very high | 93.3 | Very high | 13 Ų | 13 | 56.5 Ų | 56.5 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 160.8 | -174.3 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | M1 S16 A17 Y29 T41 V42 | M1-V27 HydrophobicContact CE-CG1 4.27Å; M1-V27 HydrophobicContact CE-CG2 3.91Å; S16-V27 CarbonylContact C-O 3.6Å; S16-V27 VanDerWaalsContact CA-O 3.26Å; S16-V27 WeakPolarHBondContact CA-O 3.41Å; A17-V27 HydrophobicContact CB-CG2 4.16Å; A17-V27 PolarHBondContact N-O 3.37Å; A17-V27 PolarHBondContact O-N 2.59Å; V27-Y29 HydrophobicContact CG2-CD1 4.42Å; V27-Y29 HydrophobicContact CG2-CE1 3.9Å; V27-Y29 HydrophobicContact CG2-CE2 4.12Å; V27-T41 HydrophobicContact CB-CG2 3.64Å; V27-T41 HydrophobicContact CG1-CG2 3.85Å; V27-T41 HydrophobicContact CG2-CG2 3.97Å; V27-V42 CarbonylContact C-O 3.58Å; V27-V42 WeakPolarHBondContact CA-O 3.3Å; V27-V42 WeakPolarHBondContact CB-O 3.09Å |
| 28 | I | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 120.9 | 161.2 | -62.6 | 176.9 | 0 | 0 | 0 | 108.1 | L14 I15 V30 V42 L44 L53 I64 | L14-I28 HydrophobicContact CB-CG2 4.02Å; L14-I28 HydrophobicContact CD2-CG2 4.22Å; I15-I28 CarbonylContact O-C 3.44Å; I15-I28 WeakPolarHBondContact O-CA 3.5Å; I28-V30 HydrophobicContact CG2-CG2 4.5Å; I28-V42 HydrophobicContact CB-CB 4.41Å; I28-V42 PolarHBondContact N-O 2.93Å; I28-V42 PolarHBondContact O-N 2.8Å; I28-L44 HydrophobicContact CD1-CD1 4.46Å; I28-L44 HydrophobicContact CD1-CD2 3.82Å; I28-L44 HydrophobicContact CG1-CD1 4.07Å; I28-L44 HydrophobicContact CG1-CD2 3.98Å; I28-L44 HydrophobicContact CG1-CG 4.2Å; I28-L53 HydrophobicContact CD1-CD2 4.17Å; I28-I64 HydrophobicContact CD1-CD1 3.94Å |
| 29 | Y | 96.6 | Very high | 93.5 | Very high | 56 Ų | 56 | 67.8 Ų | 67.8 | 22% | 0.22 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 126.2 | 165.4 | -58 | -59.9 | 0 | 0 | 0 | 109 | M1 L14 I15 A17 V27 T41 | M1-Y29 VanDerWaalsContact CB-OH 3.3Å; M1-Y29 WeakPolarHBondContact CB-OH 3.29Å; M1-Y29 VanDerWaalsContact CG-OH 3.29Å; M1-Y29 WeakPolarHBondContact CG-OH 3.5Å; L14-Y29 WeakPolarHBondContact CA-O 3.34Å; I15-Y29 HydrophobicContact CB-CD2 4.47Å; I15-Y29 HydrophobicContact CG2-CD2 4.46Å; I15-Y29 PolarHBondContact N-O 3.11Å; I15-Y29 PolarHBondContact O-N 2.92Å; A17-Y29 HydrophobicContact CB-CD2 4.32Å; A17-Y29 HydrophobicContact CB-CE2 3.66Å; V27-Y29 HydrophobicContact CG2-CD1 4.42Å; V27-Y29 HydrophobicContact CG2-CE1 3.9Å; V27-Y29 HydrophobicContact CG2-CE2 4.12Å; Y29-T41 HydrophobicContact CD1-CG2 3.88Å; Y29-T41 HydrophobicContact CE1-CG2 3.81Å |
| 30 | V | 97.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.012 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 111.4 | 176 | -175 | 0 | 0 | 0 | 0 | 107.5 | Y12 L14 I28 L39 K40 V42 I82 | Y12-V30 HydrophobicContact CD1-CG1 3.67Å; Y12-V30 HydrophobicContact CE1-CG1 4.22Å; Y12-V30 HydrophobicContact CG-CG1 3.86Å; L14-V30 HydrophobicContact CD2-CB 4.09Å; L14-V30 HydrophobicContact CD2-CG1 3.85Å; L14-V30 HydrophobicContact CD2-CG2 3.95Å; I28-V30 HydrophobicContact CG2-CG2 4.5Å; V30-L39 PolarHBondContact O-N 3.21Å; V30-K40 HydrophobicContact CB-CG 3.77Å; V30-K40 HydrophobicContact CG1-CG 4.46Å; V30-K40 HydrophobicContact CG2-CD 4.38Å; V30-K40 HydrophobicContact CG2-CG 3.79Å; V30-K40 PolarHBondContact N-O 3.49Å; V30-K40 PolarHBondContact O-N 3.44Å; V30-V42 HydrophobicContact CG2-CG2 3.94Å; V30-I82 HydrophobicContact CG2-CG2 3.64Å |
| 31 | L | 98.2 | Very high | 94.1 | Very high | 25 Ų | 25 | 68.1 Ų | 68.1 | 13% | 0.131 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 142.7 | 178.3 | -72.2 | 67.2 | 0 | 0 | 0 | 108.9 | Y12 L13 I15 R33 G36 V37 R38 | Y12-L31 VanDerWaalsContact CA-O 3.27Å; Y12-L31 WeakPolarHBondContact CA-O 3.34Å; L13-L31 HydrophobicContact CB-CB 4.1Å; L13-L31 HydrophobicContact CD2-CB 4.45Å; L13-L31 HydrophobicContact CD2-CD2 4.03Å; L13-L31 PolarHBondContact N-O 3.26Å; L13-L31 PolarHBondContact O-N 3.39Å; I15-L31 HydrophobicContact CD1-CD1 4.49Å; I15-L31 HydrophobicContact CD1-CD2 4.34Å; L31-R33 PolarHBondContact O-N 3.09Å; L31-G36 WeakPolarHBondContact CD2-O 3.48Å; L31-V37 CarbonylContact C-O 3.52Å; L31-V37 WeakPolarHBondContact CA-O 3.45Å; L31-R38 HydrophobicContact CD1-CB 4.38Å; L31-R38 HydrophobicContact CD1-CG 4.25Å; L31-R38 HydrophobicContact CG-CB 4.2Å |
| 32 | D | 98.2 | Very high | 94.5 | Very high | 46 Ų | 46 | 63.8 Ų | 63.8 | 25% | 0.246 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 128.7 | 167.2 | 175.9 | -87.4 | 0 | 0 | 0 | 109.4 | I34 T35 G36 V37 L39 | D32-I34 VanDerWaalsContact C-N 3.29Å; D32-I34 PolarHBondContact O-N 2.96Å; D32-I34 PolarHBondContact OD1-N 3.05Å; D32-I34 VanDerWaalsContact OD1-N 3.09Å; D32-T35 WeakPolarHBondContact CB-OG1 3.17Å; D32-T35 VanDerWaalsContact CG-OG1 3.24Å; D32-T35 WeakPolarHBondContact OD1-CB 3.49Å; D32-T35 WeakPolarHBondContact OD1-CG2 3.3Å; D32-T35 PolarHBondContact OD1-N 3.16Å; D32-T35 PolarHBondContact OD1-OG1 3.11Å; D32-G36 VanDerWaalsContact O-CA 3.26Å; D32-G36 WeakPolarHBondContact O-CA 3.45Å; D32-G36 PolarHBondContact O-N 2.92Å; D32-V37 PolarHBondContact N-O 3.41Å; D32-L39 HydrophobicContact CB-CD1 4.14Å; D32-L39 HydrophobicContact CB-CD2 4.17Å; D32-L39 HydrophobicContact CB-CG 4.18Å |
| 33 | R | 95.6 | Very high | 95 | Very high | 76 Ų | 76 | 60.6 Ų | 60.6 | 29% | 0.287 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -28.8 | -171.1 | -177.8 | 175.8 | 176.9 | -167.4 | -0.4 | 113.8 | T9 E10 D11 L31 E218 | T9-R33 WeakPolarHBondContact O-CD 3.41Å; T9-R33 PolarHBondContact O-NH1 3Å; E10-R33 VanDerWaalsContact O-CD 3.26Å; E10-R33 WeakPolarHBondContact O-CD 3.35Å; E10-R33 PolarHBondContact O-NH1 2.83Å; D11-R33 VanDerWaalsContact C-CB 3.49Å; D11-R33 WeakPolarHBondContact O-CB 3.17Å; D11-R33 PolarHBondContact O-N 2.69Å; L31-R33 PolarHBondContact O-N 3.09Å; R33-E218 IonicContact CZ-OE1 2.73Å; R33-E218 IonicContact CZ-OE2 3.47Å; R33-E218 IonicContact NE-OE2 2.86Å; R33-E218 IonicContact NH1-OE1 3.42Å; R33-E218 IonicContact NH2-OE1 3.46Å; R33-E218 PolarHBondContact NH2-OE1 3.15Å; R33-E218 IonicContact NH2-OE2 3.73Å; R33-E218 PolarHBondContact NH2-OE2 2.65Å |
| 34 | I | 94.3 | Very high | 95.2 | Very high | 155 Ų | 155 | 53.9 Ų | 53.9 | 80% | 0.795 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -45.9 | -174.4 | -57.7 | -56 | 0 | 0 | 0 | 111.1 | D32 | D32-I34 VanDerWaalsContact C-N 3.29Å; D32-I34 PolarHBondContact O-N 2.96Å; D32-I34 PolarHBondContact OD1-N 3.05Å; D32-I34 VanDerWaalsContact OD1-N 3.09Å |
| 35 | T | 96.5 | Very high | 95.2 | Very high | 93 Ų | 93 | 49.4 Ų | 49.4 | 57% | 0.571 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -18.9 | -174.7 | 64.7 | 0 | 0 | 0 | 0 | 112.8 | D32 V37 | D32-T35 WeakPolarHBondContact CB-OG1 3.17Å; D32-T35 VanDerWaalsContact CG-OG1 3.24Å; D32-T35 WeakPolarHBondContact OD1-CB 3.49Å; D32-T35 WeakPolarHBondContact OD1-CG2 3.3Å; D32-T35 PolarHBondContact OD1-N 3.16Å; D32-T35 PolarHBondContact OD1-OG1 3.11Å; T35-V37 PolarHBondContact O-N 3.24Å; T35-V37 PolarHBondContact OG1-N 3.1Å |
| 36 | G | 95.1 | Very high | 94.6 | Very high | 41 Ų | 41 | 50.3 Ų | 50.3 | 42% | 0.423 | 26% | 0.262 | S | S | . | . | trans | 70.5 | 5.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L31 D32 R38 | L31-G36 WeakPolarHBondContact CD2-O 3.48Å; D32-G36 VanDerWaalsContact O-CA 3.26Å; D32-G36 WeakPolarHBondContact O-CA 3.45Å; D32-G36 PolarHBondContact O-N 2.92Å; G36-R38 PolarHBondContact O-N 2.88Å | ||
| 37 | V | 96.8 | Very high | 93.6 | Very high | 87 Ų | 87 | 54.6 Ų | 54.6 | 53% | 0.527 | 28% | 0.284 | S | S | . | . | trans | -72.8 | 128.4 | -178.8 | 175.6 | 0 | 0 | 0 | 0 | 109.8 | L31 D32 T35 L39 | L31-V37 CarbonylContact C-O 3.52Å; L31-V37 WeakPolarHBondContact CA-O 3.45Å; D32-V37 PolarHBondContact N-O 3.41Å; T35-V37 PolarHBondContact O-N 3.24Å; T35-V37 PolarHBondContact OG1-N 3.1Å; V37-L39 PolarHBondContact O-N 3.46Å | ||
| 38 | R | 96.1 | Very high | 92.1 | Very high | 158 Ų | 158 | 54.2 Ų | 54.2 | 60% | 0.596 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 114.4 | 173.1 | -172.7 | -163.6 | 69.3 | 177.7 | 0.9 | 110.6 | L31 G36 | L31-R38 HydrophobicContact CD1-CB 4.38Å; L31-R38 HydrophobicContact CD1-CG 4.25Å; L31-R38 HydrophobicContact CG-CB 4.2Å; G36-R38 PolarHBondContact O-N 2.88Å |
| 39 | L | 96.7 | Very high | 90.6 | Very high | 89 Ų | 89 | 58.9 Ų | 58.9 | 47% | 0.466 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -45 | 179.8 | -58.3 | 178 | 0 | 0 | 0 | 112 | Y12 V30 D32 V37 | Y12-L39 HydrophobicContact CD1-CD1 3.94Å; Y12-L39 HydrophobicContact CE1-CD1 3.67Å; V30-L39 PolarHBondContact O-N 3.21Å; D32-L39 HydrophobicContact CB-CD1 4.14Å; D32-L39 HydrophobicContact CB-CD2 4.17Å; D32-L39 HydrophobicContact CB-CG 4.18Å; V37-L39 PolarHBondContact O-N 3.46Å |
| 40 | K | 96.1 | Very high | 89.2 | Confident | 56 Ų | 56 | 56.2 Ų | 56.2 | 24% | 0.243 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 172 | -178.2 | 64.3 | -178.1 | 76.9 | 177 | 0 | 112.2 | V30 V42 I82 E83 Y85 | V30-K40 HydrophobicContact CB-CG 3.77Å; V30-K40 HydrophobicContact CG1-CG 4.46Å; V30-K40 HydrophobicContact CG2-CD 4.38Å; V30-K40 HydrophobicContact CG2-CG 3.79Å; V30-K40 PolarHBondContact N-O 3.49Å; V30-K40 PolarHBondContact O-N 3.44Å; K40-V42 HydrophobicContact CD-CG2 4.47Å; K40-I82 PolarHBondContact NZ-O 3.01Å; K40-E83 PolarHBondContact NZ-O 2.79Å; K40-Y85 WeakPolarHBondContact CD-O 3.27Å; K40-Y85 WeakPolarHBondContact CE-O 3.43Å; K40-Y85 PolarHBondContact NZ-O 3.36Å |
| 41 | T | 95.5 | Very high | 88.2 | Confident | 39 Ų | 39 | 56.2 Ų | 56.2 | 24% | 0.239 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 125.3 | 171.4 | -53.5 | 0 | 0 | 0 | 0 | 108.1 | V27 Y29 Y85 | V27-T41 HydrophobicContact CB-CG2 3.64Å; V27-T41 HydrophobicContact CG1-CG2 3.85Å; V27-T41 HydrophobicContact CG2-CG2 3.97Å; Y29-T41 HydrophobicContact CD1-CG2 3.88Å; Y29-T41 HydrophobicContact CE1-CG2 3.81Å; T41-Y85 VanDerWaalsContact O-CE1 3.29Å; T41-Y85 WeakPolarHBondContact O-CE1 3.06Å |
| 42 | V | 95.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 125.5 | 176.6 | 177.7 | 0 | 0 | 0 | 0 | 108.3 | V27 I28 V30 K40 I82 Y85 I92 | V27-V42 CarbonylContact C-O 3.58Å; V27-V42 WeakPolarHBondContact CA-O 3.3Å; V27-V42 WeakPolarHBondContact CB-O 3.09Å; I28-V42 HydrophobicContact CB-CB 4.41Å; I28-V42 PolarHBondContact N-O 2.93Å; I28-V42 PolarHBondContact O-N 2.8Å; V30-V42 HydrophobicContact CG2-CG2 3.94Å; K40-V42 HydrophobicContact CD-CG2 4.47Å; V42-I82 HydrophobicContact CG2-CG2 4.16Å; V42-Y85 HydrophobicContact CB-CD1 4.48Å; V42-Y85 HydrophobicContact CG1-CD2 4.02Å; V42-Y85 HydrophobicContact CG1-CE2 4.05Å; V42-Y85 HydrophobicContact CG1-CG 4.31Å; V42-Y85 HydrophobicContact CG2-CD1 3.93Å; V42-Y85 HydrophobicContact CG2-CD2 4.48Å; V42-Y85 HydrophobicContact CG2-CE1 4.44Å; V42-Y85 HydrophobicContact CG2-CG 3.94Å; V42-I92 HydrophobicContact CG1-CB 3.75Å; V42-I92 HydrophobicContact CG1-CD1 3.73Å; V42-I92 HydrophobicContact CG1-CG1 4.36Å; V42-I92 HydrophobicContact CG1-CG2 3.65Å |
| 43 | I | 94.4 | Very high | 87.7 | Confident | 22 Ų | 22 | 52.9 Ų | 52.9 | 11% | 0.113 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 121.7 | 178.4 | -57 | 174.6 | 0 | 0 | 0 | 108.2 | N25 Y85 P89 M91 I92 | N25-I43 HydrophobicContact CB-CG2 3.58Å; I43-Y85 PolarHBondContact N-OH 2.86Å; I43-P89 HydrophobicContact CD1-CB 4.08Å; I43-M91 HydrophobicContact CG2-CG 3.92Å; I43-M91 WeakPolarHBondContact O-CA 3.29Å; I43-I92 WeakPolarHBondContact O-CG2 3.36Å; I43-I92 PolarHBondContact O-N 2.99Å |
| 44 | L | 93.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -80 | 148.6 | 176.6 | -62.2 | 178.8 | 0 | 0 | 0 | 110.7 | N25 S26 I28 A50 I64 I77 I92 Y94 | N25-L44 PolarHBondContact ND2-O 2.84Å; S26-L44 VanDerWaalsContact O-CB 3.31Å; S26-L44 WeakPolarHBondContact O-CB 3.43Å; S26-L44 PolarHBondContact O-N 2.76Å; I28-L44 HydrophobicContact CD1-CD1 4.46Å; I28-L44 HydrophobicContact CD1-CD2 3.82Å; I28-L44 HydrophobicContact CG1-CD1 4.07Å; I28-L44 HydrophobicContact CG1-CD2 3.98Å; I28-L44 HydrophobicContact CG1-CG 4.2Å; L44-A50 HydrophobicContact CD1-CB 4.18Å; L44-I64 HydrophobicContact CD2-CD1 3.91Å; L44-I77 HydrophobicContact CD2-CD1 3.67Å; L44-I92 HydrophobicContact CD2-CG2 4.12Å; L44-Y94 HydrophobicContact CD2-CE1 4.34Å |
| 45 | P | 88.2 | Confident | 88 | Confident | 19 Ų | 19 | 43 Ų | 43 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -56.1 | 152.9 | 161.9 | -22.5 | 32.2 | 0 | 0 | 0 | 111.6 | P48 I92 Y94 | P45-P48 WeakPolarHBondContact O-CD 3.46Å; P45-I92 WeakPolarHBondContact CD-O 3.39Å; P45-I92 WeakPolarHBondContact CG-O 3.26Å; P45-Y94 HydrophobicContact CB-CD2 4.1Å; P45-Y94 HydrophobicContact CB-CE2 3.58Å; P45-Y94 VanDerWaalsContact CD-CZ 3.5Å; P45-Y94 HydrophobicContact CG-CD1 4.36Å; P45-Y94 HydrophobicContact CG-CD2 3.87Å; P45-Y94 HydrophobicContact CG-CE1 4.14Å; P45-Y94 HydrophobicContact CG-CE2 3.64Å; P45-Y94 HydrophobicContact CG-CG 4.24Å; P45-Y94 PolarHBondContact O-OH 2.86Å |
| 46 | D | 78.6 | Confident | 88 | Confident | 78 Ų | 78 | 38.6 Ų | 38.6 | 42% | 0.417 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 61.5 | -171.9 | 173.9 | -44.5 | -40.1 | 0 | 0 | 0 | 113.9 | N25 P48 K97 | N25-D46 PolarHBondContact ND2-O 3.38Å; D46-P48 VanDerWaalsContact O-CD 3.28Å; D46-P48 WeakPolarHBondContact O-CD 3.49Å; D46-K97 IonicContact OD2-NZ 3.87Å; D46-K97 PolarHBondContact OD2-NZ 2.8Å |
| 47 | L | 70.5 | Confident | 88.1 | Confident | 91 Ų | 91 | 39.6 Ų | 39.6 | 48% | 0.476 | 20% | 0.201 | S | C | . | . | trans | -111.8 | 52.3 | 173.4 | -66.6 | 167.7 | 0 | 0 | 0 | 111.3 | H24 | H24-L47 VanDerWaalsContact C-CD2 3.44Å; H24-L47 WeakPolarHBondContact O-CD2 3.35Å | ||
| 48 | P | 63.8 | Low | 88.1 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.032 | 21% | 0.207 | C | C | . | . | trans | -67.6 | 145.9 | 179.9 | 30.8 | -34 | 0 | 0 | 0 | 109.6 | S26 P45 D46 A50 | S26-P48 WeakPolarHBondContact CB-O 3.45Å; S26-P48 PolarHBondContact OG-O 3.26Å; P45-P48 WeakPolarHBondContact O-CD 3.46Å; D46-P48 VanDerWaalsContact O-CD 3.28Å; D46-P48 WeakPolarHBondContact O-CD 3.49Å; P48-A50 HydrophobicContact CB-CB 4.38Å; P48-A50 HydrophobicContact CG-CB 4.21Å; P48-A50 PolarHBondContact O-N 3.16Å; P48-A50 VanDerWaalsContact O-N 3.16Å | ||
| 49 | H | 63.6 | Low | 88.2 | Confident | 98 Ų | 98 | 35.7 Ų | 35.7 | 45% | 0.454 | 19% | 0.187 | S | C | . | . | trans | -55.8 | -28.9 | 164.7 | -99.4 | -81.6 | 0 | 0 | 0 | 111.3 | Q4 H22 G51 | Q4-H49 PolarHBondContact OE1-ND1 3.27Å; Q4-H49 PolarHBondContact OE1-O 3.08Å; H22-H49 AromaticContact CE1-NE2 3.91Å; H49-G51 PolarHBondContact O-N 3.07Å | ||
| 50 | A | 68.5 | Low | 88.3 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | trans | 51.4 | 39.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S16 L44 P48 G52 I64 S65 | S16-A50 WeakPolarHBondContact CB-O 3.29Å; S16-A50 PolarHBondContact OG-O 2.96Å; L44-A50 HydrophobicContact CD1-CB 4.18Å; P48-A50 HydrophobicContact CB-CB 4.38Å; P48-A50 HydrophobicContact CG-CB 4.21Å; P48-A50 PolarHBondContact O-N 3.16Å; P48-A50 VanDerWaalsContact O-N 3.16Å; A50-G52 VanDerWaalsContact C-N 3.32Å; A50-G52 PolarHBondContact O-N 3.14Å; A50-I64 HydrophobicContact CB-CG2 4.23Å; A50-S65 WeakPolarHBondContact CA-O 3.36Å | ||
| 51 | G | 76.1 | Confident | 88.4 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | trans | -66.2 | -26.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q4 G5 H49 S65 S107 | Q4-G51 CarbonylContact C-O 3.57Å; Q4-G51 VanDerWaalsContact CD-CA 3.47Å; Q4-G51 VanDerWaalsContact NE2-CA 3.27Å; G5-G51 WeakPolarHBondContact CA-O 3.41Å; H49-G51 PolarHBondContact O-N 3.07Å; G51-S65 PolarHBondContact N-OG 3.21Å; G51-S107 CarbonylContact C-O 3.52Å | ||
| 52 | G | 90 | Very high | 88.5 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -125.2 | 133.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | A50 I64 S65 S107 | A50-G52 VanDerWaalsContact C-N 3.32Å; A50-G52 PolarHBondContact O-N 3.14Å; G52-I64 WeakPolarHBondContact O-CA 3.36Å; G52-S65 PolarHBondContact N-OG 3.17Å; G52-S65 PolarHBondContact O-N 2.89Å; G52-S65 PolarHBondContact O-OG 2.76Å; G52-S107 PolarHBondContact N-O 3.33Å | ||
| 53 | L | 96.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 140.2 | 165.2 | -64.8 | -177.4 | 0 | 0 | 0 | 110.1 | T7 L14 I28 I62 W63 I64 Q214 | T7-L53 HydrophobicContact CG2-CB 3.86Å; T7-L53 HydrophobicContact CG2-CD1 4.4Å; L14-L53 HydrophobicContact CB-CD1 4.23Å; I28-L53 HydrophobicContact CD1-CD2 4.17Å; L53-I62 HydrophobicContact CD2-CG2 4.21Å; L53-W63 CarbonylContact C-O 3.56Å; L53-W63 WeakPolarHBondContact CA-O 3.45Å; L53-I64 HydrophobicContact CD2-CB 4.3Å; L53-I64 HydrophobicContact CD2-CG1 3.77Å; L53-I64 HydrophobicContact CD2-CG2 4.16Å; L53-Q214 PolarHBondContact O-NE2 3.36Å |
| 54 | A | 97.3 | Very high | 88.5 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 2% | 0.017 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 134.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | I62 W63 L109 L116 | A54-I62 CarbonylContact O-C 3.47Å; A54-W63 HydrophobicContact CB-CB 4.21Å; A54-W63 PolarHBondContact N-O 2.97Å; A54-W63 PolarHBondContact O-N 3.32Å; A54-L109 HydrophobicContact CB-CB 3.86Å; A54-L116 HydrophobicContact CB-CD1 4.03Å |
| 55 | Y | 98.1 | Very high | 88.5 | Confident | 21 Ų | 21 | 30.5 Ų | 30.5 | 8% | 0.082 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 123.3 | 174.6 | 180 | -136.3 | 0 | 0 | 0 | 110.6 | T7 L8 T9 E10 P57 R60 K61 I62 L79 Y111 | T7-Y55 WeakPolarHBondContact OG1-CB 3.4Å; T7-Y55 PolarHBondContact OG1-N 3.16Å; L8-Y55 VanDerWaalsContact O-CB 3.31Å; L8-Y55 WeakPolarHBondContact O-CB 3.3Å; L8-Y55 WeakPolarHBondContact O-CD1 3.44Å; T9-Y55 HydrophobicContact CG2-CD1 4.1Å; T9-Y55 HydrophobicContact CG2-CD2 4.05Å; T9-Y55 HydrophobicContact CG2-CE1 4.24Å; T9-Y55 HydrophobicContact CG2-CE2 4.15Å; T9-Y55 HydrophobicContact CG2-CG 4Å; E10-Y55 WeakPolarHBondContact OE1-CE1 3.4Å; E10-Y55 PolarHBondContact OE1-OH 3.41Å; E10-Y55 PolarHBondContact OE2-OH 2.79Å; Y55-P57 HydrophobicContact CD1-CB 4.17Å; Y55-P57 HydrophobicContact CE1-CB 3.7Å; Y55-P57 VanDerWaalsContact O-CD 3.24Å; Y55-P57 WeakPolarHBondContact O-CD 3.31Å; Y55-R60 PolarHBondContact OH-NH1 2.87Å; Y55-K61 WeakPolarHBondContact CD2-O 3.37Å; Y55-I62 HydrophobicContact CD2-CD1 3.47Å; Y55-I62 VanDerWaalsContact CD2-CD1 3.47Å; Y55-I62 HydrophobicContact CE2-CD1 4.18Å; Y55-I62 HydrophobicContact CG-CD1 4.11Å; Y55-L79 HydrophobicContact CE2-CD2 3.96Å; Y55-Y111 VanDerWaalsContact O-CB 3.29Å; Y55-Y111 WeakPolarHBondContact O-CB 3.41Å; Y55-Y111 WeakPolarHBondContact O-CD1 3.22Å |
| 56 | D | 97.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 102.5 | 164 | 173.8 | -4.6 | 0 | 0 | 0 | 108.6 | L58 H59 R60 K61 Y111 | D56-L58 VanDerWaalsContact C-N 3.31Å; D56-L58 PolarHBondContact O-N 2.91Å; D56-L58 WeakPolarHBondContact OD1-CB 3.47Å; D56-L58 PolarHBondContact OD1-N 3.48Å; D56-H59 PolarHBondContact OD1-N 2.85Å; D56-H59 VanDerWaalsContact OD1-N 3.11Å; D56-H59 IonicContact OD1-ND1 3.86Å; D56-H59 PolarHBondContact OD1-ND1 2.99Å; D56-H59 WeakPolarHBondContact OD2-CB 3.34Å; D56-H59 IonicContact OD2-CE1 2.92Å; D56-H59 IonicContact OD2-CG 3.42Å; D56-H59 IonicContact OD2-ND1 3.47Å; D56-H59 PolarHBondContact OD2-ND1 2.86Å; D56-R60 VanDerWaalsContact O-CA 3.22Å; D56-R60 WeakPolarHBondContact O-CA 3.37Å; D56-R60 PolarHBondContact O-N 2.89Å; D56-K61 HydrophobicContact CB-CB 4.44Å; D56-K61 PolarHBondContact N-O 2.92Å; D56-K61 PolarHBondContact O-N 2.76Å; D56-K61 VanDerWaalsContact O-N 3.07Å; D56-Y111 HydrophobicContact CB-CD2 3.86Å; D56-Y111 HydrophobicContact CB-CE2 3.97Å; D56-Y111 HydrophobicContact CB-CG 4.38Å |
| 57 | P | 97.3 | Very high | 88.9 | Confident | 62 Ų | 62 | 29.5 Ų | 29.5 | 40% | 0.403 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -21.5 | -179.8 | 30.5 | -36 | 0 | 0 | 0 | 113.4 | Y55 Y111 | Y55-P57 HydrophobicContact CD1-CB 4.17Å; Y55-P57 HydrophobicContact CE1-CB 3.7Å; Y55-P57 VanDerWaalsContact O-CD 3.24Å; Y55-P57 WeakPolarHBondContact O-CD 3.31Å; P57-Y111 VanDerWaalsContact CD-CE1 3.45Å; P57-Y111 HydrophobicContact CG-CE1 4.02Å |
| 58 | L | 97.2 | Very high | 89.6 | Confident | 126 Ų | 126 | 27.5 Ų | 27.5 | 66% | 0.66 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71 | -43.4 | -179.4 | 179.7 | 60.3 | 0 | 0 | 0 | 110.5 | D56 | D56-L58 VanDerWaalsContact C-N 3.31Å; D56-L58 PolarHBondContact O-N 2.91Å; D56-L58 WeakPolarHBondContact OD1-CB 3.47Å; D56-L58 PolarHBondContact OD1-N 3.48Å |
| 59 | H | 97.8 | Very high | 90.5 | Very high | 38 Ų | 38 | 33.4 Ų | 33.4 | 18% | 0.176 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 1.8 | -178.7 | -51.7 | 104.6 | 0 | 0 | 0 | 113.7 | D56 K61 D135 G138 | D56-H59 PolarHBondContact OD1-N 2.85Å; D56-H59 VanDerWaalsContact OD1-N 3.11Å; D56-H59 IonicContact OD1-ND1 3.86Å; D56-H59 PolarHBondContact OD1-ND1 2.99Å; D56-H59 WeakPolarHBondContact OD2-CB 3.34Å; D56-H59 IonicContact OD2-CE1 2.92Å; D56-H59 IonicContact OD2-CG 3.42Å; D56-H59 IonicContact OD2-ND1 3.47Å; D56-H59 PolarHBondContact OD2-ND1 2.86Å; H59-K61 VanDerWaalsContact C-N 3.34Å; H59-K61 HydrophobicContact CB-CD 4.42Å; H59-K61 HydrophobicContact CB-CG 4.38Å; H59-K61 PolarHBondContact O-N 2.99Å; H59-D135 PolarHBondContact CE1-O 3.31Å; H59-D135 VanDerWaalsContact CE1-O 3.28Å; H59-D135 PolarHBondContact NE2-O 2.94Å; H59-G138 PolarHBondContact CD2-N 2.76Å; H59-G138 WeakPolarHBondContact ND1-CA 3.49Å |
| 60 | R | 97.9 | Very high | 91.2 | Very high | 88 Ų | 88 | 36 Ų | 36 | 33% | 0.332 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 50.6 | -175 | -62.1 | -178 | 64.3 | 81 | -6 | 112 | E10 Y55 D56 L79 E83 | E10-R60 VanDerWaalsContact CD-NH1 3.33Å; E10-R60 IonicContact OE1-NH1 3.8Å; E10-R60 PolarHBondContact OE1-NH1 2.95Å; E10-R60 IonicContact OE2-CZ 3.14Å; E10-R60 IonicContact OE2-NH1 3.95Å; E10-R60 PolarHBondContact OE2-NH1 2.74Å; E10-R60 IonicContact OE2-NH2 2.69Å; Y55-R60 PolarHBondContact OH-NH1 2.87Å; D56-R60 VanDerWaalsContact O-CA 3.22Å; D56-R60 WeakPolarHBondContact O-CA 3.37Å; D56-R60 PolarHBondContact O-N 2.89Å; R60-L79 HydrophobicContact CB-CB 4.24Å; R60-L79 VanDerWaalsContact NH2-CD2 3.35Å; R60-L79 WeakPolarHBondContact O-CB 3.26Å; R60-L79 PolarHBondContact O-N 3.33Å; R60-E83 IonicContact NH2-OE1 3.99Å; R60-E83 PolarHBondContact NH2-OE1 2.88Å; R60-E83 VanDerWaalsContact NH2-OE1 3.14Å |
| 61 | K | 97.7 | Very high | 91.8 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.017 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 139 | 180 | -74.7 | -178.2 | -176.4 | 176.9 | 0 | 111.5 | Y55 D56 H59 A76 I77 H78 Y137 G138 N139 | Y55-K61 WeakPolarHBondContact CD2-O 3.37Å; D56-K61 HydrophobicContact CB-CB 4.44Å; D56-K61 PolarHBondContact N-O 2.92Å; D56-K61 PolarHBondContact O-N 2.76Å; D56-K61 VanDerWaalsContact O-N 3.07Å; H59-K61 VanDerWaalsContact C-N 3.34Å; H59-K61 HydrophobicContact CB-CD 4.42Å; H59-K61 HydrophobicContact CB-CG 4.38Å; H59-K61 PolarHBondContact O-N 2.99Å; K61-A76 HydrophobicContact CD-CB 4.4Å; K61-I77 CarbonylContact C-O 3.53Å; K61-I77 WeakPolarHBondContact CA-O 3.1Å; K61-H78 WeakPolarHBondContact CE-CE1 3.24Å; K61-H78 WeakPolarHBondContact CE-NE2 3.49Å; K61-Y137 PolarHBondContact NZ-O 3.14Å; K61-G138 WeakPolarHBondContact CD-O 3.46Å; K61-G138 WeakPolarHBondContact CE-O 3.18Å; K61-G138 PolarHBondContact NZ-O 3.22Å; K61-N139 PolarHBondContact NZ-OD1 3.19Å |
| 62 | I | 97.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 111.9 | 170 | -50.4 | -57.3 | 0 | 0 | 0 | 108.1 | T7 T9 L14 L53 A54 Y55 I64 A76 I77 I82 | T7-I62 HydrophobicContact CG2-CD1 4.35Å; T7-I62 HydrophobicContact CG2-CG2 4.48Å; T9-I62 HydrophobicContact CG2-CD1 3.8Å; L14-I62 HydrophobicContact CD1-CD1 3.55Å; L14-I62 HydrophobicContact CD1-CG1 3.81Å; L14-I62 HydrophobicContact CD1-CG2 4.43Å; L53-I62 HydrophobicContact CD2-CG2 4.21Å; A54-I62 CarbonylContact O-C 3.47Å; Y55-I62 HydrophobicContact CD2-CD1 3.47Å; Y55-I62 VanDerWaalsContact CD2-CD1 3.47Å; Y55-I62 HydrophobicContact CE2-CD1 4.18Å; Y55-I62 HydrophobicContact CG-CD1 4.11Å; I62-I64 HydrophobicContact CG2-CG1 4.25Å; I62-A76 CarbonylContact O-C 3.6Å; I62-A76 WeakPolarHBondContact O-CA 3.11Å; I62-I77 PolarHBondContact N-O 2.92Å; I62-I77 PolarHBondContact O-N 3.33Å; I62-I82 HydrophobicContact CB-CD1 4.33Å; I62-I82 HydrophobicContact CG1-CD1 3.66Å |
| 63 | W | 96.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 140.1 | 170 | -66.8 | 100.5 | 0 | 0 | 0 | 110.5 | L53 A54 V74 A75 A76 L109 L116 I134 G138 L140 | L53-W63 CarbonylContact C-O 3.56Å; L53-W63 WeakPolarHBondContact CA-O 3.45Å; A54-W63 HydrophobicContact CB-CB 4.21Å; A54-W63 PolarHBondContact N-O 2.97Å; A54-W63 PolarHBondContact O-N 3.32Å; W63-V74 HydrophobicContact CE3-CB 4.35Å; W63-V74 HydrophobicContact CE3-CG2 4.38Å; W63-V74 HydrophobicContact CZ3-CG2 4.21Å; W63-A75 CarbonylContact C-O 3.49Å; W63-A75 WeakPolarHBondContact CA-O 3.35Å; W63-A76 HydrophobicContact CD2-CB 4.26Å; W63-A76 HydrophobicContact CE3-CB 3.87Å; W63-A76 HydrophobicContact CH2-CB 4.21Å; W63-A76 HydrophobicContact CZ3-CB 3.85Å; W63-L109 HydrophobicContact CB-CD1 4.09Å; W63-L116 HydrophobicContact CB-CD1 3.76Å; W63-L116 HydrophobicContact CB-CD2 4.34Å; W63-L116 HydrophobicContact CD2-CD1 4.33Å; W63-L116 HydrophobicContact CD2-CD2 3.84Å; W63-L116 HydrophobicContact CE3-CD2 3.84Å; W63-L116 HydrophobicContact CG-CD1 3.73Å; W63-L116 HydrophobicContact CG-CD2 4.09Å; W63-L116 HydrophobicContact CZ3-CD2 4.4Å; W63-I134 HydrophobicContact CZ2-CD1 4.36Å; W63-I134 HydrophobicContact CZ2-CG1 4.34Å; W63-G138 WeakPolarHBondContact CZ2-O 3.1Å; W63-L140 HydrophobicContact CH2-CD2 3.99Å; W63-L140 HydrophobicContact CH2-CG 3.8Å; W63-L140 HydrophobicContact CZ2-CD2 4.24Å; W63-L140 HydrophobicContact CZ3-CD2 4.48Å; W63-L140 HydrophobicContact CZ3-CG 4.13Å |
| 64 | I | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 126.7 | -172.4 | -52.9 | 172.4 | 0 | 0 | 0 | 108.5 | I28 L44 A50 G52 L53 I62 N66 V74 A75 I77 Y94 | I28-I64 HydrophobicContact CD1-CD1 3.94Å; L44-I64 HydrophobicContact CD2-CD1 3.91Å; A50-I64 HydrophobicContact CB-CG2 4.23Å; G52-I64 WeakPolarHBondContact O-CA 3.36Å; L53-I64 HydrophobicContact CD2-CB 4.3Å; L53-I64 HydrophobicContact CD2-CG1 3.77Å; L53-I64 HydrophobicContact CD2-CG2 4.16Å; I62-I64 HydrophobicContact CG2-CG1 4.25Å; I64-N66 PolarHBondContact O-N 2.97Å; I64-V74 WeakPolarHBondContact O-CA 3.46Å; I64-A75 PolarHBondContact N-O 3.42Å; I64-A75 PolarHBondContact O-N 2.97Å; I64-I77 HydrophobicContact CD1-CD1 3.46Å; I64-I77 VanDerWaalsContact CD1-CD1 3.46Å; I64-I77 HydrophobicContact CD1-CG1 3.79Å; I64-Y94 HydrophobicContact CD1-CE1 4.03Å |
| 65 | S | 91.9 | Very high | 91.9 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 3% | 0.028 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 130.9 | 171.9 | 66.3 | 0 | 0 | 0 | 0 | 108.8 | A50 G51 G52 | A50-S65 WeakPolarHBondContact CA-O 3.36Å; G51-S65 PolarHBondContact N-OG 3.21Å; G52-S65 PolarHBondContact N-OG 3.17Å; G52-S65 PolarHBondContact O-N 2.89Å; G52-S65 PolarHBondContact O-OG 2.76Å |
| 66 | N | 89.9 | Confident | 91.7 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.027 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | -177.7 | -172.2 | -147.6 | -54 | 0 | 0 | 0 | 110.6 | I64 A73 A75 Y94 K97 | I64-N66 PolarHBondContact O-N 2.97Å; N66-A73 CarbonylContact C-O 3.55Å; N66-A73 WeakPolarHBondContact CA-O 3.19Å; N66-A73 HydrophobicContact CB-CB 4.09Å; N66-A73 PolarHBondContact N-O 2.88Å; N66-A73 PolarHBondContact O-N 3.28Å; N66-A73 VanDerWaalsContact O-O 3.08Å; N66-A75 HydrophobicContact CB-CB 4.35Å; N66-Y94 WeakPolarHBondContact ND2-CE2 3.46Å; N66-Y94 PolarHBondContact ND2-OH 2.89Å; N66-Y94 VanDerWaalsContact ND2-OH 3.09Å; N66-K97 VanDerWaalsContact OD1-CE 3.3Å; N66-K97 WeakPolarHBondContact OD1-CE 3.49Å; N66-K97 PolarHBondContact OD1-NZ 2.86Å |
| 67 | T | 86.2 | Confident | 91.7 | Very high | 71 Ų | 71 | 38.2 Ų | 38.2 | 44% | 0.436 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 138.8 | 173.2 | -54.1 | 0 | 0 | 0 | 0 | 108.6 | H71 K97 | T67-H71 WeakPolarHBondContact CA-O 3.39Å; T67-H71 VanDerWaalsContact CG2-O 3.31Å; T67-H71 WeakPolarHBondContact CG2-O 3.28Å; T67-K97 WeakPolarHBondContact O-CE 3.34Å; T67-K97 PolarHBondContact O-NZ 2.85Å; T67-K97 VanDerWaalsContact O-NZ 3.11Å |
| 68 | L | 85 | Confident | 91.7 | Very high | 50 Ų | 50 | 38.1 Ų | 38.1 | 26% | 0.262 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 125.9 | 175.7 | -174.9 | 60.1 | 0 | 0 | 0 | 108.4 | N70 H71 A73 K97 A99 | L68-N70 VanDerWaalsContact C-N 3.25Å; L68-N70 PolarHBondContact O-N 3.05Å; L68-N70 VanDerWaalsContact O-N 3.16Å; L68-H71 PolarHBondContact N-O 2.91Å; L68-H71 WeakPolarHBondContact O-CA 3.48Å; L68-H71 WeakPolarHBondContact O-CB 3.22Å; L68-H71 PolarHBondContact O-N 3.26Å; L68-A73 HydrophobicContact CB-CB 3.77Å; L68-K97 HydrophobicContact CD1-CD 4.47Å; L68-K97 HydrophobicContact CD2-CG 4.47Å; L68-A99 HydrophobicContact CB-CB 4.22Å; L68-A99 HydrophobicContact CD2-CB 4.05Å; L68-A99 HydrophobicContact CG-CB 4.41Å |
| 69 | D | 82.5 | Confident | 91.7 | Very high | 129 Ų | 129 | 32.1 Ų | 32.1 | 69% | 0.69 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 39.6 | 177.9 | -55.3 | -34.8 | 0 | 0 | 0 | 114.7 | H71 | D69-H71 PolarHBondContact O-CD2 3.05Å; D69-H71 VanDerWaalsContact O-CD2 3.24Å; D69-H71 PolarHBondContact O-N 3.36Å |
| 70 | N | 78.6 | Confident | 91.7 | Very high | 152 Ų | 152 | 32.2 Ų | 32.2 | 81% | 0.813 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 7.5 | -174.7 | -52 | -56.1 | 0 | 0 | 0 | 116.1 | L68 | L68-N70 VanDerWaalsContact C-N 3.25Å; L68-N70 PolarHBondContact O-N 3.05Å; L68-N70 VanDerWaalsContact O-N 3.16Å |
| 71 | H | 81.6 | Confident | 91.6 | Very high | 74 Ų | 74 | 30.9 Ų | 30.9 | 34% | 0.343 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 156.2 | 170.5 | -63.6 | -84.9 | 0 | 0 | 0 | 110.9 | T67 L68 D69 K101 | T67-H71 WeakPolarHBondContact CA-O 3.39Å; T67-H71 VanDerWaalsContact CG2-O 3.31Å; T67-H71 WeakPolarHBondContact CG2-O 3.28Å; L68-H71 PolarHBondContact N-O 2.91Å; L68-H71 WeakPolarHBondContact O-CA 3.48Å; L68-H71 WeakPolarHBondContact O-CB 3.22Å; L68-H71 PolarHBondContact O-N 3.26Å; D69-H71 PolarHBondContact O-CD2 3.05Å; D69-H71 VanDerWaalsContact O-CD2 3.24Å; D69-H71 PolarHBondContact O-N 3.36Å; H71-K101 PolarHBondContact ND1-O 2.73Å; H71-K101 VanDerWaalsContact ND1-O 3.14Å |
| 72 | A | 85.3 | Confident | 91.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.8 | 144.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | L100 L103 P104 A106 | A72-L100 HydrophobicContact CB-CB 4.16Å; A72-L100 HydrophobicContact CB-CD1 4.48Å; A72-L100 PolarHBondContact O-N 3.09Å; A72-L103 HydrophobicContact CB-CB 3.84Å; A72-L103 VanDerWaalsContact CB-O 3.22Å; A72-L103 WeakPolarHBondContact CB-O 3.1Å; A72-L103 PolarHBondContact N-O 2.75Å; A72-P104 PolarHBondContact N-O 3.39Å; A72-A106 HydrophobicContact CB-CB 3.87Å |
| 73 | A | 89.4 | Confident | 91.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 163.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110 | N66 L68 I98 | N66-A73 CarbonylContact C-O 3.55Å; N66-A73 WeakPolarHBondContact CA-O 3.19Å; N66-A73 HydrophobicContact CB-CB 4.09Å; N66-A73 PolarHBondContact N-O 2.88Å; N66-A73 PolarHBondContact O-N 3.28Å; N66-A73 VanDerWaalsContact O-O 3.08Å; L68-A73 HydrophobicContact CB-CB 3.77Å; A73-I98 CarbonylContact C-O 3.55Å; A73-I98 WeakPolarHBondContact CA-O 3.32Å; A73-I98 WeakPolarHBondContact CB-O 3.41Å |
| 74 | V | 92.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 143.5 | 165.2 | -67.9 | 0 | 0 | 0 | 0 | 108.9 | W63 I64 K97 I98 L100 L109 L116 V118 L140 | W63-V74 HydrophobicContact CE3-CB 4.35Å; W63-V74 HydrophobicContact CE3-CG2 4.38Å; W63-V74 HydrophobicContact CZ3-CG2 4.21Å; I64-V74 WeakPolarHBondContact O-CA 3.46Å; V74-K97 CarbonylContact O-C 3.55Å; V74-K97 WeakPolarHBondContact O-CA 3.49Å; V74-I98 HydrophobicContact CG2-CB 4.49Å; V74-I98 PolarHBondContact N-O 3.28Å; V74-I98 PolarHBondContact O-N 3.18Å; V74-L100 HydrophobicContact CG1-CD1 4.11Å; V74-L100 HydrophobicContact CG2-CD2 4.33Å; V74-L109 HydrophobicContact CG1-CD1 4.3Å; V74-L109 HydrophobicContact CG1-CD2 3.88Å; V74-L116 HydrophobicContact CB-CD2 4.29Å; V74-L116 HydrophobicContact CG1-CD2 4.06Å; V74-L116 HydrophobicContact CG2-CD2 4.28Å; V74-V118 HydrophobicContact CG1-CG2 4.31Å; V74-L140 HydrophobicContact CG2-CD1 3.71Å |
| 75 | A | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 154 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110 | W63 I64 N66 Y94 Q96 K97 | W63-A75 CarbonylContact C-O 3.49Å; W63-A75 WeakPolarHBondContact CA-O 3.35Å; I64-A75 PolarHBondContact N-O 3.42Å; I64-A75 PolarHBondContact O-N 2.97Å; N66-A75 HydrophobicContact CB-CB 4.35Å; A75-Y94 HydrophobicContact CB-CD1 3.75Å; A75-Y94 HydrophobicContact CB-CD2 3.92Å; A75-Y94 HydrophobicContact CB-CE1 3.91Å; A75-Y94 HydrophobicContact CB-CE2 4.05Å; A75-Y94 HydrophobicContact CB-CG 3.77Å; A75-Q96 CarbonylContact C-O 3.49Å; A75-Q96 WeakPolarHBondContact CA-O 3.32Å; A75-K97 HydrophobicContact CB-CB 4.37Å; A75-K97 HydrophobicContact CB-CG 4.28Å |
| 76 | A | 95.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 144.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | K61 I62 W63 Y94 Q95 Q96 | K61-A76 HydrophobicContact CD-CB 4.4Å; I62-A76 CarbonylContact O-C 3.6Å; I62-A76 WeakPolarHBondContact O-CA 3.11Å; W63-A76 HydrophobicContact CD2-CB 4.26Å; W63-A76 HydrophobicContact CE3-CB 3.87Å; W63-A76 HydrophobicContact CH2-CB 4.21Å; W63-A76 HydrophobicContact CZ3-CB 3.85Å; A76-Y94 WeakPolarHBondContact O-CA 3.36Å; A76-Q95 VanDerWaalsContact C-OE1 3.3Å; A76-Q95 PolarHBondContact O-N 2.99Å; A76-Q95 VanDerWaalsContact O-N 3.15Å; A76-Q95 PolarHBondContact O-OE1 2.92Å; A76-Q96 HydrophobicContact CB-CB 4.33Å; A76-Q96 PolarHBondContact N-O 2.77Å |
| 77 | I | 96.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 127.1 | 169.5 | -58.7 | -178.5 | 0 | 0 | 0 | 108.7 | L44 K61 I62 I64 L79 D81 I82 I92 Y94 | L44-I77 HydrophobicContact CD2-CD1 3.67Å; K61-I77 CarbonylContact C-O 3.53Å; K61-I77 WeakPolarHBondContact CA-O 3.1Å; I62-I77 PolarHBondContact N-O 2.92Å; I62-I77 PolarHBondContact O-N 3.33Å; I64-I77 HydrophobicContact CD1-CD1 3.46Å; I64-I77 VanDerWaalsContact CD1-CD1 3.46Å; I64-I77 HydrophobicContact CD1-CG1 3.79Å; I77-L79 PolarHBondContact O-N 3.46Å; I77-D81 HydrophobicContact CG2-CB 4.47Å; I77-I82 HydrophobicContact CG2-CD1 4.02Å; I77-I82 HydrophobicContact CG2-CG1 3.71Å; I77-I92 HydrophobicContact CD1-CD1 4.3Å; I77-I92 HydrophobicContact CD1-CG1 4.49Å; I77-I92 HydrophobicContact CD1-CG2 3.54Å; I77-I92 HydrophobicContact CG2-CD1 3.53Å; I77-I92 HydrophobicContact CG2-CG1 4.17Å; I77-Y94 HydrophobicContact CD1-CD1 4.03Å; I77-Y94 HydrophobicContact CD1-CE1 3.94Å; I77-Y94 HydrophobicContact CG1-CD1 3.7Å; I77-Y94 HydrophobicContact CG1-CE1 4.08Å |
| 78 | H | 97.2 | Very high | 89.5 | Confident | 59 Ų | 59 | 55.9 Ų | 55.9 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 135.7 | 167 | -81.3 | -70.5 | 0 | 0 | 0 | 111.5 | K61 S80 D81 I82 Q95 | K61-H78 WeakPolarHBondContact CE-CE1 3.24Å; K61-H78 WeakPolarHBondContact CE-NE2 3.49Å; H78-S80 PolarHBondContact O-N 3.37Å; H78-D81 WeakPolarHBondContact O-CB 3.45Å; H78-D81 PolarHBondContact O-N 2.92Å; H78-I82 PolarHBondContact O-N 2.64Å; H78-Q95 VanDerWaalsContact N-OE1 3.09Å |
| 79 | L | 98 | Very high | 88.8 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -55.9 | -36 | 175.6 | -179 | 53.6 | 0 | 0 | 0 | 111.9 | T9 Y12 Y55 R60 I77 D81 I82 E83 | T9-L79 HydrophobicContact CG2-CD1 4.04Å; T9-L79 HydrophobicContact CG2-CD2 4Å; Y12-L79 HydrophobicContact CD2-CD1 4.02Å; Y12-L79 HydrophobicContact CE2-CD1 4.28Å; Y55-L79 HydrophobicContact CE2-CD2 3.96Å; R60-L79 HydrophobicContact CB-CB 4.24Å; R60-L79 VanDerWaalsContact NH2-CD2 3.35Å; R60-L79 WeakPolarHBondContact O-CB 3.26Å; R60-L79 PolarHBondContact O-N 3.33Å; I77-L79 PolarHBondContact O-N 3.46Å; L79-D81 PolarHBondContact O-N 2.96Å; L79-I82 HydrophobicContact CD1-CB 4.48Å; L79-I82 WeakPolarHBondContact O-CB 3.38Å; L79-I82 PolarHBondContact O-N 2.92Å; L79-I82 VanDerWaalsContact O-N 3.11Å; L79-E83 HydrophobicContact CG-CG 4.48Å; L79-E83 WeakPolarHBondContact O-CG 3.1Å; L79-E83 PolarHBondContact O-N 2.92Å |
| 80 | S | 97.1 | Very high | 89.1 | Confident | 41 Ų | 41 | 56.9 Ų | 56.9 | 29% | 0.287 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.3 | -26 | 177.6 | 70.9 | 0 | 0 | 0 | 0 | 114 | H78 E83 K84 | H78-S80 PolarHBondContact O-N 3.37Å; S80-E83 WeakPolarHBondContact CA-OE2 3.32Å; S80-K84 WeakPolarHBondContact O-CB 3.28Å; S80-K84 WeakPolarHBondContact O-CD 3.09Å; S80-K84 WeakPolarHBondContact O-CG 3.47Å; S80-K84 PolarHBondContact O-N 3.03Å |
| 81 | D | 96.5 | Very high | 89.7 | Confident | 60 Ų | 60 | 54.4 Ų | 54.4 | 32% | 0.321 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -77.5 | -34 | 175 | -69.1 | -25.5 | 0 | 0 | 0 | 111.3 | I77 H78 L79 Y85 I92 Q95 | I77-D81 HydrophobicContact CG2-CB 4.47Å; H78-D81 WeakPolarHBondContact O-CB 3.45Å; H78-D81 PolarHBondContact O-N 2.92Å; L79-D81 PolarHBondContact O-N 2.96Å; D81-Y85 WeakPolarHBondContact O-CB 3.34Å; D81-Y85 PolarHBondContact O-N 3.41Å; D81-I92 HydrophobicContact CB-CD1 4.17Å; D81-Q95 PolarHBondContact OD2-NE2 2.65Å |
| 82 | I | 96.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64 | -43.6 | 169.8 | -66.6 | 175.1 | 0 | 0 | 0 | 110.5 | L14 V30 K40 V42 I62 I77 H78 L79 Y85 I92 | L14-I82 HydrophobicContact CD1-CD1 4.34Å; V30-I82 HydrophobicContact CG2-CG2 3.64Å; K40-I82 PolarHBondContact NZ-O 3.01Å; V42-I82 HydrophobicContact CG2-CG2 4.16Å; I62-I82 HydrophobicContact CB-CD1 4.33Å; I62-I82 HydrophobicContact CG1-CD1 3.66Å; I77-I82 HydrophobicContact CG2-CD1 4.02Å; I77-I82 HydrophobicContact CG2-CG1 3.71Å; H78-I82 PolarHBondContact O-N 2.64Å; L79-I82 HydrophobicContact CD1-CB 4.48Å; L79-I82 WeakPolarHBondContact O-CB 3.38Å; L79-I82 PolarHBondContact O-N 2.92Å; L79-I82 VanDerWaalsContact O-N 3.11Å; I82-Y85 VanDerWaalsContact O-CB 3.29Å; I82-Y85 WeakPolarHBondContact O-CB 3.19Å; I82-Y85 PolarHBondContact O-N 3.36Å; I82-I92 HydrophobicContact CG1-CD1 3.92Å |
| 83 | E | 96.8 | Very high | 90.7 | Very high | 60 Ų | 60 | 54.8 Ų | 54.8 | 28% | 0.28 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 178 | -71.7 | 167.3 | 171.7 | 0 | 0 | 111.5 | Y12 K40 R60 L79 S80 Y85 | Y12-E83 HydrophobicContact CE2-CG 3.87Å; K40-E83 PolarHBondContact NZ-O 2.79Å; R60-E83 IonicContact NH2-OE1 3.99Å; R60-E83 PolarHBondContact NH2-OE1 2.88Å; R60-E83 VanDerWaalsContact NH2-OE1 3.14Å; L79-E83 HydrophobicContact CG-CG 4.48Å; L79-E83 WeakPolarHBondContact O-CG 3.1Å; L79-E83 PolarHBondContact O-N 2.92Å; S80-E83 WeakPolarHBondContact CA-OE2 3.32Å; E83-Y85 VanDerWaalsContact C-N 3.28Å; E83-Y85 PolarHBondContact O-N 3.36Å |
| 84 | K | 95.4 | Very high | 90.9 | Very high | 142 Ų | 142 | 56.5 Ų | 56.5 | 62% | 0.617 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -76.5 | -11.9 | 178.5 | -68.2 | 167.1 | -168.2 | 162.9 | 0 | 114 | S80 T86 | S80-K84 WeakPolarHBondContact O-CB 3.28Å; S80-K84 WeakPolarHBondContact O-CD 3.09Å; S80-K84 WeakPolarHBondContact O-CG 3.47Å; S80-K84 PolarHBondContact O-N 3.03Å; K84-T86 PolarHBondContact O-N 2.91Å; K84-T86 VanDerWaalsContact O-N 3.1Å; K84-T86 PolarHBondContact O-OG1 3.49Å |
| 85 | Y | 95.3 | Very high | 90.9 | Very high | 24 Ų | 24 | 60 Ų | 60 | 9% | 0.094 | 32% | 0.317 | C | S | . | . | trans | -61.5 | 115.5 | -179.7 | -169.4 | -86.4 | 0 | 0 | 0 | 110.6 | K40 T41 V42 I43 D81 I82 E83 K87 I90 I92 | K40-Y85 WeakPolarHBondContact CD-O 3.27Å; K40-Y85 WeakPolarHBondContact CE-O 3.43Å; K40-Y85 PolarHBondContact NZ-O 3.36Å; T41-Y85 VanDerWaalsContact O-CE1 3.29Å; T41-Y85 WeakPolarHBondContact O-CE1 3.06Å; V42-Y85 HydrophobicContact CB-CD1 4.48Å; V42-Y85 HydrophobicContact CG1-CD2 4.02Å; V42-Y85 HydrophobicContact CG1-CE2 4.05Å; V42-Y85 HydrophobicContact CG1-CG 4.31Å; V42-Y85 HydrophobicContact CG2-CD1 3.93Å; V42-Y85 HydrophobicContact CG2-CD2 4.48Å; V42-Y85 HydrophobicContact CG2-CE1 4.44Å; V42-Y85 HydrophobicContact CG2-CG 3.94Å; I43-Y85 PolarHBondContact N-OH 2.86Å; D81-Y85 WeakPolarHBondContact O-CB 3.34Å; D81-Y85 PolarHBondContact O-N 3.41Å; I82-Y85 VanDerWaalsContact O-CB 3.29Å; I82-Y85 WeakPolarHBondContact O-CB 3.19Å; I82-Y85 PolarHBondContact O-N 3.36Å; E83-Y85 VanDerWaalsContact C-N 3.28Å; E83-Y85 PolarHBondContact O-N 3.36Å; Y85-K87 PolarHBondContact OH-O 3.49Å; Y85-I90 WeakPolarHBondContact CE2-O 3.3Å; Y85-I90 VanDerWaalsContact CZ-O 3.29Å; Y85-I90 PolarHBondContact OH-O 2.89Å; Y85-I92 HydrophobicContact CD2-CB 4.15Å; Y85-I92 HydrophobicContact CD2-CD1 4.3Å; Y85-I92 HydrophobicContact CD2-CG1 4.43Å; Y85-I92 HydrophobicContact CE2-CB 4.11Å | ||
| 86 | T | 88.5 | Confident | 90.7 | Very high | 121 Ų | 121 | 61.6 Ų | 61.6 | 74% | 0.742 | 32% | 0.324 | S | S | * | . | trans | -129.2 | -10.9 | -177.8 | 45 | 0 | 0 | 0 | 0 | 112.7 | K84 | K84-T86 PolarHBondContact O-N 2.91Å; K84-T86 VanDerWaalsContact O-N 3.1Å; K84-T86 PolarHBondContact O-OG1 3.49Å | ||
| 87 | K | 72.4 | Confident | 90.5 | Very high | 133 Ų | 133 | 64.5 Ų | 64.5 | 58% | 0.578 | 34% | 0.337 | S | S | * | . | trans | -111.4 | 99.5 | -166.2 | -60.8 | -175 | -176 | 178.7 | 0 | 111.3 | Y85 I90 | Y85-K87 PolarHBondContact OH-O 3.49Å; K87-I90 HydrophobicContact CB-CB 4.23Å; K87-I90 HydrophobicContact CB-CD1 4.08Å; K87-I90 HydrophobicContact CB-CG1 4.27Å; K87-I90 HydrophobicContact CD-CD1 3.71Å; K87-I90 PolarHBondContact O-N 3.47Å; K87-I90 VanDerWaalsContact O-N 3.08Å | ||
| 88 | D | 66.1 | Low | 90.2 | Very high | 128 Ų | 128 | 65.6 Ų | 65.6 | 68% | 0.684 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 129.5 | 157.1 | -171.5 | -11.9 | 0 | 0 | 0 | 107.7 | ||
| 89 | P | 70 | Confident | 89.8 | Confident | 99 Ų | 99 | 63.9 Ų | 63.9 | 64% | 0.643 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -107.2 | 31.3 | 10.6 | 40.5 | -35.1 | 0 | 0 | 0 | 115.6 | I43 M91 | I43-P89 HydrophobicContact CD1-CB 4.08Å; P89-M91 PolarHBondContact O-N 2.92Å |
| 90 | I | 87.8 | Confident | 89.1 | Confident | 100 Ų | 100 | 64 Ų | 64 | 51% | 0.513 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 119.4 | -176.4 | -60.9 | -179.7 | 0 | 0 | 0 | 109.7 | Y85 K87 | Y85-I90 WeakPolarHBondContact CE2-O 3.3Å; Y85-I90 VanDerWaalsContact CZ-O 3.29Å; Y85-I90 PolarHBondContact OH-O 2.89Å; K87-I90 HydrophobicContact CB-CB 4.23Å; K87-I90 HydrophobicContact CB-CD1 4.08Å; K87-I90 HydrophobicContact CB-CG1 4.27Å; K87-I90 HydrophobicContact CD-CD1 3.71Å; K87-I90 PolarHBondContact O-N 3.47Å; K87-I90 VanDerWaalsContact O-N 3.08Å |
| 91 | M | 92.1 | Very high | 87.9 | Confident | 101 Ų | 101 | 69 Ų | 69 | 50% | 0.498 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 138.3 | 174.7 | -61.7 | 177.5 | -69.7 | 0 | 0 | 111.4 | I43 P89 | I43-M91 HydrophobicContact CG2-CG 3.92Å; I43-M91 WeakPolarHBondContact O-CA 3.29Å; P89-M91 PolarHBondContact O-N 2.92Å |
| 92 | I | 94.6 | Very high | 86.5 | Confident | 12 Ų | 12 | 74.1 Ų | 74.1 | 6% | 0.062 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 151.8 | 170.1 | -164.4 | 159.9 | 0 | 0 | 0 | 110.1 | V42 I43 L44 P45 I77 D81 I82 Y85 | V42-I92 HydrophobicContact CG1-CB 3.75Å; V42-I92 HydrophobicContact CG1-CD1 3.73Å; V42-I92 HydrophobicContact CG1-CG1 4.36Å; V42-I92 HydrophobicContact CG1-CG2 3.65Å; I43-I92 WeakPolarHBondContact O-CG2 3.36Å; I43-I92 PolarHBondContact O-N 2.99Å; L44-I92 HydrophobicContact CD2-CG2 4.12Å; P45-I92 WeakPolarHBondContact CD-O 3.39Å; P45-I92 WeakPolarHBondContact CG-O 3.26Å; I77-I92 HydrophobicContact CD1-CD1 4.3Å; I77-I92 HydrophobicContact CD1-CG1 4.49Å; I77-I92 HydrophobicContact CD1-CG2 3.54Å; I77-I92 HydrophobicContact CG2-CD1 3.53Å; I77-I92 HydrophobicContact CG2-CG1 4.17Å; D81-I92 HydrophobicContact CB-CD1 4.17Å; I82-I92 HydrophobicContact CG1-CD1 3.92Å; Y85-I92 HydrophobicContact CD2-CB 4.15Å; Y85-I92 HydrophobicContact CD2-CD1 4.3Å; Y85-I92 HydrophobicContact CD2-CG1 4.43Å; Y85-I92 HydrophobicContact CE2-CB 4.11Å |
| 93 | A | 92.8 | Very high | 85.1 | Confident | 69 Ų | 69 | 74.8 Ų | 74.8 | 57% | 0.57 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -90.5 | 142.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 94 | Y | 93.4 | Very high | 83.7 | Confident | 37 Ų | 37 | 76.4 Ų | 76.4 | 15% | 0.145 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -80.9 | 131.4 | 163.6 | -58.9 | -44.3 | 0 | 0 | 0 | 109.3 | L44 P45 I64 N66 A75 A76 I77 Q96 K97 | L44-Y94 HydrophobicContact CD2-CE1 4.34Å; P45-Y94 HydrophobicContact CB-CD2 4.1Å; P45-Y94 HydrophobicContact CB-CE2 3.58Å; P45-Y94 VanDerWaalsContact CD-CZ 3.5Å; P45-Y94 HydrophobicContact CG-CD1 4.36Å; P45-Y94 HydrophobicContact CG-CD2 3.87Å; P45-Y94 HydrophobicContact CG-CE1 4.14Å; P45-Y94 HydrophobicContact CG-CE2 3.64Å; P45-Y94 HydrophobicContact CG-CG 4.24Å; P45-Y94 PolarHBondContact O-OH 2.86Å; I64-Y94 HydrophobicContact CD1-CE1 4.03Å; N66-Y94 WeakPolarHBondContact ND2-CE2 3.46Å; N66-Y94 PolarHBondContact ND2-OH 2.89Å; N66-Y94 VanDerWaalsContact ND2-OH 3.09Å; A75-Y94 HydrophobicContact CB-CD1 3.75Å; A75-Y94 HydrophobicContact CB-CD2 3.92Å; A75-Y94 HydrophobicContact CB-CE1 3.91Å; A75-Y94 HydrophobicContact CB-CE2 4.05Å; A75-Y94 HydrophobicContact CB-CG 3.77Å; A76-Y94 WeakPolarHBondContact O-CA 3.36Å; I77-Y94 HydrophobicContact CD1-CD1 4.03Å; I77-Y94 HydrophobicContact CD1-CE1 3.94Å; I77-Y94 HydrophobicContact CG1-CD1 3.7Å; I77-Y94 HydrophobicContact CG1-CE1 4.08Å; Y94-Q96 VanDerWaalsContact C-N 3.3Å; Y94-K97 HydrophobicContact CD2-CD 4.21Å; Y94-K97 HydrophobicContact CE2-CD 4.43Å |
| 95 | Q | 91.6 | Very high | 82.5 | Confident | 72 Ų | 72 | 78.8 Ų | 78.8 | 34% | 0.336 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -78.9 | -23.5 | 171.9 | -55.8 | 82.4 | 6 | 0 | 0 | 111.2 | A76 H78 D81 | A76-Q95 VanDerWaalsContact C-OE1 3.3Å; A76-Q95 PolarHBondContact O-N 2.99Å; A76-Q95 VanDerWaalsContact O-N 3.15Å; A76-Q95 PolarHBondContact O-OE1 2.92Å; H78-Q95 VanDerWaalsContact N-OE1 3.09Å; D81-Q95 PolarHBondContact OD2-NE2 2.65Å |
| 96 | Q | 91.1 | Very high | 81.2 | Confident | 35 Ų | 35 | 78.4 Ų | 78.4 | 16% | 0.164 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 141.5 | 174.8 | -175.2 | 172.4 | 50 | 0 | 0 | 109.8 | A75 A76 Y94 I98 | A75-Q96 CarbonylContact C-O 3.49Å; A75-Q96 WeakPolarHBondContact CA-O 3.32Å; A76-Q96 HydrophobicContact CB-CB 4.33Å; A76-Q96 PolarHBondContact N-O 2.77Å; Y94-Q96 VanDerWaalsContact C-N 3.3Å; Q96-I98 HydrophobicContact CG-CD1 3.83Å; Q96-I98 HydrophobicContact CG-CG1 3.82Å |
| 97 | K | 91.2 | Very high | 80.6 | Confident | 60 Ų | 60 | 73.1 Ų | 73.1 | 26% | 0.261 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 116.6 | 167.3 | -172.4 | 177.1 | -174.4 | -178 | 0 | 108 | D46 N66 T67 L68 V74 A75 Y94 | D46-K97 IonicContact OD2-NZ 3.87Å; D46-K97 PolarHBondContact OD2-NZ 2.8Å; N66-K97 VanDerWaalsContact OD1-CE 3.3Å; N66-K97 WeakPolarHBondContact OD1-CE 3.49Å; N66-K97 PolarHBondContact OD1-NZ 2.86Å; T67-K97 WeakPolarHBondContact O-CE 3.34Å; T67-K97 PolarHBondContact O-NZ 2.85Å; T67-K97 VanDerWaalsContact O-NZ 3.11Å; L68-K97 HydrophobicContact CD1-CD 4.47Å; L68-K97 HydrophobicContact CD2-CG 4.47Å; V74-K97 CarbonylContact O-C 3.55Å; V74-K97 WeakPolarHBondContact O-CA 3.49Å; A75-K97 HydrophobicContact CB-CB 4.37Å; A75-K97 HydrophobicContact CB-CG 4.28Å; Y94-K97 HydrophobicContact CD2-CD 4.21Å; Y94-K97 HydrophobicContact CE2-CD 4.43Å |
| 98 | I | 89.8 | Confident | 81.5 | Confident | 23 Ų | 23 | 66.8 Ų | 66.8 | 12% | 0.118 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 128.6 | -177.2 | -65.2 | 165 | 0 | 0 | 0 | 109.4 | A73 V74 Q96 L140 M142 L148 | A73-I98 CarbonylContact C-O 3.55Å; A73-I98 WeakPolarHBondContact CA-O 3.32Å; A73-I98 WeakPolarHBondContact CB-O 3.41Å; V74-I98 HydrophobicContact CG2-CB 4.49Å; V74-I98 PolarHBondContact N-O 3.28Å; V74-I98 PolarHBondContact O-N 3.18Å; Q96-I98 HydrophobicContact CG-CD1 3.83Å; Q96-I98 HydrophobicContact CG-CG1 3.82Å; I98-L140 HydrophobicContact CD1-CB 3.94Å; I98-L140 HydrophobicContact CD1-CD1 4.23Å; I98-L140 HydrophobicContact CD1-CG 4.27Å; I98-M142 HydrophobicContact CD1-SD 4.34Å; I98-L148 HydrophobicContact CG2-CD1 4.35Å |
| 99 | A | 87.7 | Confident | 82.8 | Confident | 23 Ų | 23 | 60.7 Ų | 60.7 | 19% | 0.19 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 127.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L68 K101 | L68-A99 HydrophobicContact CB-CB 4.22Å; L68-A99 HydrophobicContact CD2-CB 4.05Å; L68-A99 HydrophobicContact CG-CB 4.41Å; A99-K101 VanDerWaalsContact C-N 3.33Å; A99-K101 HydrophobicContact CB-CG 4.2Å; A99-K101 PolarHBondContact O-N 3.07Å |
| 100 | L | 83.6 | Confident | 84 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 77.4 | 167.5 | -51.2 | -178.1 | 0 | 0 | 0 | 107.3 | A72 V74 E102 L103 V118 Y132 L148 | A72-L100 HydrophobicContact CB-CB 4.16Å; A72-L100 HydrophobicContact CB-CD1 4.48Å; A72-L100 PolarHBondContact O-N 3.09Å; V74-L100 HydrophobicContact CG1-CD1 4.11Å; V74-L100 HydrophobicContact CG2-CD2 4.33Å; L100-E102 PolarHBondContact O-N 3.42Å; L100-L103 HydrophobicContact CB-CB 4.14Å; L100-L103 HydrophobicContact CB-CD1 3.98Å; L100-L103 HydrophobicContact CB-CG 4.14Å; L100-L103 HydrophobicContact CD1-CD1 3.91Å; L100-L103 PolarHBondContact O-N 3.49Å; L100-V118 HydrophobicContact CD1-CB 4.41Å; L100-V118 HydrophobicContact CD1-CG1 3.78Å; L100-V118 HydrophobicContact CD1-CG2 4.2Å; L100-Y132 HydrophobicContact CD1-CE2 4.26Å; L100-Y132 HydrophobicContact CD2-CE2 4.16Å; L100-L148 HydrophobicContact CD2-CD1 3.32Å |
| 101 | K | 71.5 | Confident | 84.5 | Confident | 147 Ų | 147 | 53.4 Ų | 53.4 | 64% | 0.639 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -28.9 | -169 | -68.5 | 177.7 | -178.5 | 168.6 | 0 | 113.9 | H71 A99 L103 | H71-K101 PolarHBondContact ND1-O 2.73Å; H71-K101 VanDerWaalsContact ND1-O 3.14Å; A99-K101 VanDerWaalsContact C-N 3.33Å; A99-K101 HydrophobicContact CB-CG 4.2Å; A99-K101 PolarHBondContact O-N 3.07Å; K101-L103 PolarHBondContact O-N 2.94Å |
| 102 | E | 68.7 | Low | 84.6 | Confident | 166 Ų | 166 | 50.3 Ų | 50.3 | 78% | 0.776 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -10.9 | 177.8 | -57 | -160.7 | -176.4 | 0 | 0 | 113.6 | L100 | L100-E102 PolarHBondContact O-N 3.42Š|
| 103 | L | 67.1 | Low | 84.5 | Confident | 15 Ų | 15 | 57 Ų | 57 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | trans | -120.5 | 126.7 | -166.9 | -51.6 | -175.1 | 0 | 0 | 0 | 111.2 | A72 L100 K101 L120 | A72-L103 HydrophobicContact CB-CB 3.84Å; A72-L103 VanDerWaalsContact CB-O 3.22Å; A72-L103 WeakPolarHBondContact CB-O 3.1Å; A72-L103 PolarHBondContact N-O 2.75Å; L100-L103 HydrophobicContact CB-CB 4.14Å; L100-L103 HydrophobicContact CB-CD1 3.98Å; L100-L103 HydrophobicContact CB-CG 4.14Å; L100-L103 HydrophobicContact CD1-CD1 3.91Å; L100-L103 PolarHBondContact O-N 3.49Å; K101-L103 PolarHBondContact O-N 2.94Å; L103-L120 HydrophobicContact CB-CD1 4.32Å; L103-L120 HydrophobicContact CB-CD2 3.81Å; L103-L120 HydrophobicContact CD1-CD1 4.18Å; L103-L120 HydrophobicContact CD1-CD2 3.74Å; L103-L120 HydrophobicContact CD1-CG 4.36Å; L103-L120 HydrophobicContact CD2-CD1 3.5Å; L103-L120 HydrophobicContact CD2-CD2 4.41Å; L103-L120 HydrophobicContact CG-CD1 4.18Å; L103-L120 HydrophobicContact CG-CD2 4.17Å | ||
| 104 | P | 67.5 | Low | 84.5 | Confident | 95 Ų | 95 | 54.6 Ų | 54.6 | 62% | 0.617 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -72.9 | -40.1 | -176.2 | 26.1 | -32.5 | 0 | 0 | 0 | 112.7 | A72 | A72-P104 PolarHBondContact N-O 3.39Š|
| 105 | R | 70.2 | Confident | 84.6 | Confident | 191 Ų | 191 | 55.7 Ų | 55.7 | 72% | 0.721 | 27% | 0.268 | S | S | * | . | trans | -152.4 | 120.1 | -179.7 | -64.3 | -174.6 | -178.6 | 171.2 | -0.7 | 111.5 | L120 | R105-L120 WeakPolarHBondContact O-CD2 3.43Š| ||
| 106 | A | 68 | Low | 84.7 | Confident | 17 Ų | 17 | 52.2 Ų | 52.2 | 14% | 0.14 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 131.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | A72 V118 | A72-A106 HydrophobicContact CB-CB 3.87Å; A106-V118 HydrophobicContact CB-CG1 3.68Å |
| 107 | S | 76.3 | Confident | 84.8 | Confident | 10 Ų | 10 | 51.9 Ų | 51.9 | 7% | 0.07 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | -40.5 | -179.1 | 56.2 | 0 | 0 | 0 | 0 | 113.5 | G51 G52 A119 F121 | G51-S107 CarbonylContact C-O 3.52Å; G52-S107 PolarHBondContact N-O 3.33Å; S107-A119 PolarHBondContact N-O 2.96Å; S107-A119 PolarHBondContact OG-O 3.28Å; S107-F121 VanDerWaalsContact CB-CB 3.44Å; S107-F121 WeakPolarHBondContact OG-CB 3.17Å; S107-F121 PolarHBondContact OG-N 3.05Å |
| 108 | A | 89.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 151.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A119 Q163 | A108-A119 HydrophobicContact CB-CB 4.07Å; A108-A119 PolarHBondContact N-O 2.98Å; A108-A119 PolarHBondContact O-N 2.73Å; A108-Q163 WeakPolarHBondContact CB-O 3.24Å |
| 109 | L | 94.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 144.3 | 175.9 | -59.6 | -178.3 | 0 | 0 | 0 | 109.7 | A54 W63 V74 L116 Y117 V118 Q214 | A54-L109 HydrophobicContact CB-CB 3.86Å; W63-L109 HydrophobicContact CB-CD1 4.09Å; V74-L109 HydrophobicContact CG1-CD1 4.3Å; V74-L109 HydrophobicContact CG1-CD2 3.88Å; L109-L116 HydrophobicContact CB-CD1 4.4Å; L109-Y117 VanDerWaalsContact CA-O 3.3Å; L109-Y117 WeakPolarHBondContact CA-O 3.42Å; L109-V118 HydrophobicContact CD2-CB 4.11Å; L109-V118 HydrophobicContact CD2-CG1 3.94Å; L109-V118 HydrophobicContact CD2-CG2 3.69Å; L109-Q214 PolarHBondContact O-NE2 2.84Å |
| 110 | T | 95.9 | Very high | 84.7 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 158.3 | 155.2 | -158.7 | 0 | 0 | 0 | 0 | 109.7 | Y117 L165 I167 | T110-Y117 HydrophobicContact CG2-CD2 4.06Å; T110-Y117 HydrophobicContact CG2-CG 4.07Å; T110-Y117 PolarHBondContact N-O 3.47Å; T110-Y117 VanDerWaalsContact N-O 3.08Å; T110-Y117 PolarHBondContact O-N 3.41Å; T110-L165 WeakPolarHBondContact CB-O 3.21Å; T110-L165 HydrophobicContact CG2-CD2 3.22Å; T110-I167 HydrophobicContact CG2-CD1 4.3Å; T110-I167 HydrophobicContact CG2-CG1 4.34Å |
| 111 | Y | 96.4 | Very high | 84.7 | Confident | 40 Ų | 40 | 50.6 Ų | 50.6 | 16% | 0.157 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 138 | 166.4 | 169.6 | -88.5 | 0 | 0 | 0 | 108.5 | Y55 D56 P57 G114 Y115 I134 | Y55-Y111 VanDerWaalsContact O-CB 3.29Å; Y55-Y111 WeakPolarHBondContact O-CB 3.41Å; Y55-Y111 WeakPolarHBondContact O-CD1 3.22Å; D56-Y111 HydrophobicContact CB-CD2 3.86Å; D56-Y111 HydrophobicContact CB-CE2 3.97Å; D56-Y111 HydrophobicContact CB-CG 4.38Å; P57-Y111 VanDerWaalsContact CD-CE1 3.45Å; P57-Y111 HydrophobicContact CG-CE1 4.02Å; Y111-G114 PolarHBondContact OH-N 3.11Å; Y111-G114 VanDerWaalsContact OH-N 3.12Å; Y111-Y115 WeakPolarHBondContact CA-O 3.31Å; Y111-I134 HydrophobicContact CD2-CD1 3.71Å; Y111-I134 HydrophobicContact CE2-CD1 3.78Å |
| 112 | D | 95.1 | Very high | 85.4 | Confident | 36 Ų | 36 | 45 Ų | 45 | 19% | 0.193 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 133.5 | 164.1 | -170.8 | 58.2 | 0 | 0 | 0 | 109.4 | G114 Y115 Y117 I167 | D112-G114 VanDerWaalsContact C-N 3.34Å; D112-G114 PolarHBondContact O-N 2.87Å; D112-G114 VanDerWaalsContact O-N 3.12Å; D112-Y115 PolarHBondContact N-O 3.36Å; D112-Y115 VanDerWaalsContact N-O 3.09Å; D112-Y115 PolarHBondContact O-N 3.07Å; D112-Y117 HydrophobicContact CB-CD2 4.39Å; D112-Y117 HydrophobicContact CB-CE2 3.84Å; D112-I167 HydrophobicContact CB-CB 4.1Å; D112-I167 HydrophobicContact CB-CD1 3.91Å; D112-I167 HydrophobicContact CB-CG2 4.24Å |
| 113 | Q | 92.4 | Very high | 86.3 | Confident | 153 Ų | 153 | 40 Ų | 40 | 72% | 0.715 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.6 | 46 | 171 | -60.5 | 179.5 | 28.2 | 0 | 0 | 116.2 | Y115 | Q113-Y115 VanDerWaalsContact C-N 3.32Å; Q113-Y115 WeakPolarHBondContact O-CD2 3.22Å |
| 114 | G | 93.9 | Very high | 87.3 | Confident | 17 Ų | 17 | 44.8 Ų | 44.8 | 18% | 0.175 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 7.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y111 D112 I134 | Y111-G114 PolarHBondContact OH-N 3.11Å; Y111-G114 VanDerWaalsContact OH-N 3.12Å; D112-G114 VanDerWaalsContact C-N 3.34Å; D112-G114 PolarHBondContact O-N 2.87Å; D112-G114 VanDerWaalsContact O-N 3.12Å; G114-I134 WeakPolarHBondContact O-CB 3.42Å; G114-I134 PolarHBondContact O-N 3.46Å |
| 115 | Y | 94.4 | Very high | 88.4 | Confident | 60 Ų | 60 | 46.4 Ų | 46.4 | 24% | 0.235 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 139.7 | 174.6 | -66.1 | -92.6 | 0 | 0 | 0 | 111.2 | Y111 D112 Q113 C131 Y132 P133 | Y111-Y115 WeakPolarHBondContact CA-O 3.31Å; D112-Y115 PolarHBondContact N-O 3.36Å; D112-Y115 VanDerWaalsContact N-O 3.09Å; D112-Y115 PolarHBondContact O-N 3.07Å; Q113-Y115 VanDerWaalsContact C-N 3.32Å; Q113-Y115 WeakPolarHBondContact O-CD2 3.22Å; Y115-C131 HydrophobicContact CD1-CB 4.48Å; Y115-Y132 CarbonylContact C-O 3.58Å; Y115-Y132 WeakPolarHBondContact CA-O 3.39Å; Y115-P133 HydrophobicContact CD1-CB 4.02Å; Y115-P133 HydrophobicContact CE1-CB 3.71Å; Y115-P133 HydrophobicContact CE1-CG 4.32Å |
| 116 | L | 94.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 115.2 | 164.3 | -174.8 | 67.4 | 0 | 0 | 0 | 109 | A54 W63 V74 L109 V118 C131 Y132 I134 L140 | A54-L116 HydrophobicContact CB-CD1 4.03Å; W63-L116 HydrophobicContact CB-CD1 3.76Å; W63-L116 HydrophobicContact CB-CD2 4.34Å; W63-L116 HydrophobicContact CD2-CD1 4.33Å; W63-L116 HydrophobicContact CD2-CD2 3.84Å; W63-L116 HydrophobicContact CE3-CD2 3.84Å; W63-L116 HydrophobicContact CG-CD1 3.73Å; W63-L116 HydrophobicContact CG-CD2 4.09Å; W63-L116 HydrophobicContact CZ3-CD2 4.4Å; V74-L116 HydrophobicContact CB-CD2 4.29Å; V74-L116 HydrophobicContact CG1-CD2 4.06Å; V74-L116 HydrophobicContact CG2-CD2 4.28Å; L109-L116 HydrophobicContact CB-CD1 4.4Å; L116-V118 HydrophobicContact CD2-CG2 4.3Å; L116-V118 HydrophobicContact CG-CG2 4.21Å; L116-C131 CarbonylContact O-C 3.52Å; L116-C131 VanDerWaalsContact O-CA 3.28Å; L116-C131 WeakPolarHBondContact O-CA 3.38Å; L116-Y132 PolarHBondContact N-O 3.38Å; L116-Y132 PolarHBondContact O-N 2.79Å; L116-I134 HydrophobicContact CB-CD1 4.19Å; L116-I134 HydrophobicContact CB-CG1 4.45Å; L116-L140 HydrophobicContact CB-CD2 3.97Å; L116-L140 HydrophobicContact CD2-CD1 4.48Å; L116-L140 HydrophobicContact CD2-CD2 4.06Å |
| 117 | Y | 93.3 | Very high | 90.4 | Very high | 28 Ų | 28 | 39.5 Ų | 39.5 | 11% | 0.11 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 131 | 173.1 | -67.5 | -105.6 | 0 | 0 | 0 | 109.2 | L109 T110 D112 F129 C130 C131 I167 | L109-Y117 VanDerWaalsContact CA-O 3.3Å; L109-Y117 WeakPolarHBondContact CA-O 3.42Å; T110-Y117 HydrophobicContact CG2-CD2 4.06Å; T110-Y117 HydrophobicContact CG2-CG 4.07Å; T110-Y117 PolarHBondContact N-O 3.47Å; T110-Y117 VanDerWaalsContact N-O 3.08Å; T110-Y117 PolarHBondContact O-N 3.41Å; D112-Y117 HydrophobicContact CB-CD2 4.39Å; D112-Y117 HydrophobicContact CB-CE2 3.84Å; Y117-F129 AromaticContact CD1-CD2 3.89Å; Y117-F129 HydrophobicContact CD1-CD2 3.89Å; Y117-F129 AromaticContact CD1-CE2 3.8Å; Y117-F129 HydrophobicContact CD1-CE2 3.8Å; Y117-F129 HydrophobicContact CE1-CE2 4.08Å; Y117-C130 CarbonylContact C-O 3.59Å; Y117-C130 WeakPolarHBondContact CA-O 3.47Å; Y117-C131 HydrophobicContact CD1-CB 3.7Å; Y117-C131 HydrophobicContact CD2-CB 4.25Å; Y117-C131 HydrophobicContact CE1-CB 3.79Å; Y117-C131 HydrophobicContact CE2-CB 4.32Å; Y117-C131 HydrophobicContact CG-CB 3.93Å; Y117-I167 HydrophobicContact CD1-CD1 3.96Å; Y117-I167 HydrophobicContact CD2-CD1 4.01Å; Y117-I167 HydrophobicContact CE1-CD1 3.64Å; Y117-I167 HydrophobicContact CE2-CD1 3.71Å; Y117-I167 HydrophobicContact CG-CD1 4.15Å |
| 118 | V | 91.1 | Very high | 91 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 112.9 | -178.3 | -173.7 | 0 | 0 | 0 | 0 | 108.7 | V74 L100 A106 L109 L116 F129 C130 Y132 | V74-V118 HydrophobicContact CG1-CG2 4.31Å; L100-V118 HydrophobicContact CD1-CB 4.41Å; L100-V118 HydrophobicContact CD1-CG1 3.78Å; L100-V118 HydrophobicContact CD1-CG2 4.2Å; A106-V118 HydrophobicContact CB-CG1 3.68Å; L109-V118 HydrophobicContact CD2-CB 4.11Å; L109-V118 HydrophobicContact CD2-CG1 3.94Å; L109-V118 HydrophobicContact CD2-CG2 3.69Å; L116-V118 HydrophobicContact CD2-CG2 4.3Å; L116-V118 HydrophobicContact CG-CG2 4.21Å; V118-F129 WeakPolarHBondContact O-CA 3.48Å; V118-F129 WeakPolarHBondContact O-CB 3.49Å; V118-C130 PolarHBondContact N-O 2.82Å; V118-C130 PolarHBondContact O-N 3Å; V118-Y132 HydrophobicContact CB-CE2 4.17Å; V118-Y132 HydrophobicContact CG2-CD2 3.75Å; V118-Y132 HydrophobicContact CG2-CE2 3.74Å |
| 119 | A | 90.1 | Very high | 91 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 145.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S107 A108 F129 I158 L165 | S107-A119 PolarHBondContact N-O 2.96Å; S107-A119 PolarHBondContact OG-O 3.28Å; A108-A119 HydrophobicContact CB-CB 4.07Å; A108-A119 PolarHBondContact N-O 2.98Å; A108-A119 PolarHBondContact O-N 2.73Å; A119-F129 HydrophobicContact CB-CB 4.07Å; A119-I158 HydrophobicContact CB-CD1 4.03Å; A119-L165 HydrophobicContact CB-CD1 4.36Å |
| 120 | L | 84.5 | Confident | 90.7 | Very high | 20 Ų | 20 | 45.1 Ų | 45.1 | 11% | 0.105 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 122.4 | -179.7 | -56.2 | 177.3 | 0 | 0 | 0 | 109.8 | L103 R105 S122 K128 | L103-L120 HydrophobicContact CB-CD1 4.32Å; L103-L120 HydrophobicContact CB-CD2 3.81Å; L103-L120 HydrophobicContact CD1-CD1 4.18Å; L103-L120 HydrophobicContact CD1-CD2 3.74Å; L103-L120 HydrophobicContact CD1-CG 4.36Å; L103-L120 HydrophobicContact CD2-CD1 3.5Å; L103-L120 HydrophobicContact CD2-CD2 4.41Å; L103-L120 HydrophobicContact CG-CD1 4.18Å; L103-L120 HydrophobicContact CG-CD2 4.17Å; R105-L120 WeakPolarHBondContact O-CD2 3.43Å; L120-S122 PolarHBondContact O-N 3.32Å; L120-K128 WeakPolarHBondContact CB-O 3.32Å; L120-K128 HydrophobicContact CD1-CB 4.25Å; L120-K128 PolarHBondContact N-O 2.86Å |
| 121 | F | 83.3 | Confident | 90.4 | Very high | 61 Ų | 61 | 45.1 Ų | 45.1 | 27% | 0.268 | 23% | 0.226 | S | C | . | . | trans | -72.3 | 123.9 | 173.3 | 178.7 | -87.4 | 0 | 0 | 0 | 110 | S107 L123 K161 W178 | S107-F121 VanDerWaalsContact CB-CB 3.44Å; S107-F121 WeakPolarHBondContact OG-CB 3.17Å; S107-F121 PolarHBondContact OG-N 3.05Å; F121-L123 HydrophobicContact CE1-CB 4.08Å; F121-L123 HydrophobicContact CE1-CD1 4.31Å; F121-L123 HydrophobicContact CZ-CD1 4.01Å; F121-K161 HydrophobicContact CE2-CB 4.14Å; F121-K161 HydrophobicContact CE2-CG 4.4Å; F121-K161 HydrophobicContact CZ-CG 4.35Å; F121-W178 AromaticContact CZ-CE3 3.99Å; F121-W178 HydrophobicContact CZ-CE3 3.99Å; F121-W178 AromaticContact CZ-CZ3 3.73Å; F121-W178 HydrophobicContact CZ-CZ3 3.73Å | ||
| 122 | S | 86.9 | Confident | 90.2 | Very high | 30 Ų | 30 | 43.8 Ų | 43.8 | 21% | 0.21 | 22% | 0.221 | C | C | . | . | trans | -123.2 | 136 | 165.6 | 172.6 | 0 | 0 | 0 | 0 | 109.5 | L120 E125 K161 | L120-S122 PolarHBondContact O-N 3.32Å; S122-E125 WeakPolarHBondContact CB-O 3.2Å; S122-E125 PolarHBondContact OG-N 3.48Å; S122-E125 PolarHBondContact OG-O 2.99Å; S122-K161 PolarHBondContact O-N 2.77Å | ||
| 123 | L | 87.2 | Confident | 90.1 | Very high | 59 Ų | 59 | 42.5 Ų | 42.5 | 31% | 0.309 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -81.6 | -41.7 | -178.7 | -173.8 | 67.8 | 0 | 0 | 0 | 112.5 | F121 K161 W178 | F121-L123 HydrophobicContact CE1-CB 4.08Å; F121-L123 HydrophobicContact CE1-CD1 4.31Å; F121-L123 HydrophobicContact CZ-CD1 4.01Å; L123-K161 HydrophobicContact CD1-CD 4.44Å; L123-K161 HydrophobicContact CD1-CG 4.14Å; L123-K161 VanDerWaalsContact O-CE 3.23Å; L123-K161 WeakPolarHBondContact O-CE 3.44Å; L123-W178 HydrophobicContact CD1-CD2 3.83Å; L123-W178 HydrophobicContact CD1-CE3 3.79Å; L123-W178 HydrophobicContact CD1-CH2 3.45Å; L123-W178 VanDerWaalsContact CD1-CH2 3.45Å; L123-W178 HydrophobicContact CD1-CZ2 3.47Å; L123-W178 VanDerWaalsContact CD1-CZ2 3.47Å; L123-W178 HydrophobicContact CD1-CZ3 3.62Å; L123-W178 HydrophobicContact CD2-CZ2 4.41Å |
| 124 | N | 88.5 | Confident | 90.2 | Very high | 116 Ų | 116 | 35.9 Ų | 35.9 | 62% | 0.62 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -112.2 | -42.5 | -165.1 | -65 | -28.8 | 0 | 0 | 0 | 112.2 | ||
| 125 | E | 90.4 | Very high | 90.1 | Very high | 129 Ų | 129 | 37 Ų | 37 | 60% | 0.603 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -95 | 161.5 | 177.8 | -57.7 | -49 | 132.9 | 0 | 0 | 111.3 | S122 G127 K160 | S122-E125 WeakPolarHBondContact CB-O 3.2Å; S122-E125 PolarHBondContact OG-N 3.48Å; S122-E125 PolarHBondContact OG-O 2.99Å; E125-G127 PolarHBondContact O-N 2.74Å; E125-K160 WeakPolarHBondContact O-CB 3.38Å |
| 126 | P | 90.8 | Very high | 90.1 | Very high | 61 Ų | 61 | 41 Ų | 41 | 40% | 0.396 | 21% | 0.207 | S | C | . | . | trans | -45.3 | 135.5 | 165.7 | -28.4 | 36.5 | 0 | 0 | 0 | 111.4 | I158 | P126-I158 CarbonylContact C-O 3.56Å; P126-I158 WeakPolarHBondContact CA-O 3.5Å; P126-I158 WeakPolarHBondContact CB-O 3.3Å | ||
| 127 | G | 90 | Very high | 90.1 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 177.4 | 171 | 0 | 0 | 0 | 0 | 0 | 110.3 | E125 M157 I158 P159 | E125-G127 PolarHBondContact O-N 2.74Å; G127-M157 WeakPolarHBondContact O-CA 3.2Å; G127-I158 PolarHBondContact N-O 3.18Å; G127-I158 PolarHBondContact O-N 2.93Å; G127-P159 PolarHBondContact N-O 3.34Å |
| 128 | K | 89.2 | Confident | 90.2 | Very high | 106 Ų | 106 | 47.1 Ų | 47.1 | 46% | 0.461 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 153.3 | 175.2 | -67.5 | 175.1 | 176.2 | -170.3 | 0 | 109.5 | L120 T155 L156 | L120-K128 WeakPolarHBondContact CB-O 3.32Å; L120-K128 HydrophobicContact CD1-CB 4.25Å; L120-K128 PolarHBondContact N-O 2.86Å; K128-T155 HydrophobicContact CB-CG2 3.68Å; K128-T155 HydrophobicContact CD-CG2 3.72Å; K128-T155 HydrophobicContact CG-CG2 3.95Å; K128-L156 CarbonylContact C-O 3.48Å; K128-L156 WeakPolarHBondContact CA-O 3.26Å |
| 129 | F | 88.9 | Confident | 90.3 | Very high | 8 Ų | 8 | 49.3 Ų | 49.3 | 4% | 0.035 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 149.7 | 158.8 | 73.3 | -90.7 | 0 | 0 | 0 | 111 | Y117 V118 A119 L156 I158 L165 L172 F196 | Y117-F129 AromaticContact CD1-CD2 3.89Å; Y117-F129 HydrophobicContact CD1-CD2 3.89Å; Y117-F129 AromaticContact CD1-CE2 3.8Å; Y117-F129 HydrophobicContact CD1-CE2 3.8Å; Y117-F129 HydrophobicContact CE1-CE2 4.08Å; V118-F129 WeakPolarHBondContact O-CA 3.48Å; V118-F129 WeakPolarHBondContact O-CB 3.49Å; A119-F129 HydrophobicContact CB-CB 4.07Å; F129-L156 HydrophobicContact CD1-CB 4.11Å; F129-L156 HydrophobicContact CE1-CB 3.59Å; F129-L156 HydrophobicContact CE1-CD1 4.12Å; F129-L156 HydrophobicContact CE2-CB 4.2Å; F129-L156 HydrophobicContact CE2-CD1 3.72Å; F129-L156 HydrophobicContact CE2-CG 4.5Å; F129-L156 HydrophobicContact CZ-CB 3.67Å; F129-L156 HydrophobicContact CZ-CD1 3.33Å; F129-L156 HydrophobicContact CZ-CG 4.12Å; F129-L156 PolarHBondContact N-O 2.85Å; F129-L156 PolarHBondContact O-N 3.35Å; F129-L156 VanDerWaalsContact O-N 3.08Å; F129-I158 HydrophobicContact CD1-CD1 4.47Å; F129-I158 HydrophobicContact CD1-CG2 3.41Å; F129-I158 VanDerWaalsContact CD1-CG2 3.41Å; F129-I158 HydrophobicContact CE1-CG2 3.64Å; F129-L165 HydrophobicContact CB-CD1 4.15Å; F129-L165 HydrophobicContact CD1-CD1 3.96Å; F129-L165 HydrophobicContact CD2-CD1 4.42Å; F129-L165 HydrophobicContact CE1-CD1 4.43Å; F129-L165 HydrophobicContact CG-CD1 3.93Å; F129-L172 HydrophobicContact CE1-CD2 4.02Å; F129-L172 HydrophobicContact CZ-CD2 4.27Å; F129-F196 HydrophobicContact CE1-CD2 4.17Å; F129-F196 HydrophobicContact CZ-CD2 4.41Å; F129-F196 HydrophobicContact CZ-CE2 4.45Å |
| 130 | C | 88.4 | Confident | 90.4 | Very high | 15 Ų | 15 | 49.3 Ų | 49.3 | 10% | 0.101 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 159.9 | 172.8 | -54 | 0 | 0 | 0 | 0 | 107.6 | Y117 V118 Y132 | Y117-C130 CarbonylContact C-O 3.59Å; Y117-C130 WeakPolarHBondContact CA-O 3.47Å; V118-C130 PolarHBondContact N-O 2.82Å; V118-C130 PolarHBondContact O-N 3Å; C130-Y132 HydrophobicContact CB-CE2 4.17Å |
| 131 | C | 89.8 | Confident | 90.6 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.034 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 150.1 | 166 | 50.3 | 0 | 0 | 0 | 0 | 110.9 | Y115 L116 Y117 S151 | Y115-C131 HydrophobicContact CD1-CB 4.48Å; L116-C131 CarbonylContact O-C 3.52Å; L116-C131 VanDerWaalsContact O-CA 3.28Å; L116-C131 WeakPolarHBondContact O-CA 3.38Å; Y117-C131 HydrophobicContact CD1-CB 3.7Å; Y117-C131 HydrophobicContact CD2-CB 4.25Å; Y117-C131 HydrophobicContact CE1-CB 3.79Å; Y117-C131 HydrophobicContact CE2-CB 4.32Å; Y117-C131 HydrophobicContact CG-CB 3.93Å; C131-S151 VanDerWaalsContact O-CB 3.24Å; C131-S151 WeakPolarHBondContact O-CB 3.26Å; C131-S151 PolarHBondContact O-N 2.93Å; C131-S151 PolarHBondContact O-OG 2.93Å; C131-S151 WeakPolarHBondContact SG-CB 3.43Å; C131-S151 PolarHBondContact SG-OG 3.43Å |
| 132 | Y | 91.3 | Very high | 90.6 | Very high | 12 Ų | 12 | 52.9 Ų | 52.9 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 127.5 | -177.8 | -61.5 | -75 | 0 | 0 | 0 | 108.9 | L100 Y115 L116 V118 C130 L140 L148 | L100-Y132 HydrophobicContact CD1-CE2 4.26Å; L100-Y132 HydrophobicContact CD2-CE2 4.16Å; Y115-Y132 CarbonylContact C-O 3.58Å; Y115-Y132 WeakPolarHBondContact CA-O 3.39Å; L116-Y132 PolarHBondContact N-O 3.38Å; L116-Y132 PolarHBondContact O-N 2.79Å; V118-Y132 HydrophobicContact CB-CE2 4.17Å; V118-Y132 HydrophobicContact CG2-CD2 3.75Å; V118-Y132 HydrophobicContact CG2-CE2 3.74Å; C130-Y132 HydrophobicContact CB-CE2 4.17Å; Y132-L140 HydrophobicContact CG-CD1 4.39Å; Y132-L148 HydrophobicContact CD1-CB 3.89Å; Y132-L148 HydrophobicContact CD1-CD1 3.91Å; Y132-L148 HydrophobicContact CD1-CD2 4.34Å; Y132-L148 HydrophobicContact CD1-CG 4.27Å; Y132-L148 HydrophobicContact CE1-CB 3.9Å; Y132-L148 HydrophobicContact CE1-CD1 3.65Å; Y132-L148 HydrophobicContact CE1-CG 4.33Å |
| 133 | P | 92.9 | Very high | 90.1 | Very high | 9 Ų | 9 | 56.3 Ų | 56.3 | 6% | 0.058 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 144.7 | 175.9 | 22.7 | -23.6 | 0 | 0 | 0 | 110.8 | Y115 E141 V149 | Y115-P133 HydrophobicContact CD1-CB 4.02Å; Y115-P133 HydrophobicContact CE1-CB 3.71Å; Y115-P133 HydrophobicContact CE1-CG 4.32Å; P133-E141 HydrophobicContact CB-CG 4.16Å; P133-E141 HydrophobicContact CG-CB 4.06Å; P133-E141 HydrophobicContact CG-CG 4.22Å; P133-E141 PolarHBondContact O-N 3.32Å; P133-V149 WeakPolarHBondContact CD-O 3.46Å; P133-V149 HydrophobicContact CG-CB 4Å; P133-V149 HydrophobicContact CG-CG1 3.82Å |
| 134 | I | 94 | Very high | 89.3 | Confident | 14 Ų | 14 | 58.8 Ų | 58.8 | 7% | 0.072 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -104.8 | 127.2 | 175.3 | -63.4 | 166.1 | 0 | 0 | 0 | 108.1 | W63 Y111 G114 L116 G138 N139 L140 | W63-I134 HydrophobicContact CZ2-CD1 4.36Å; W63-I134 HydrophobicContact CZ2-CG1 4.34Å; Y111-I134 HydrophobicContact CD2-CD1 3.71Å; Y111-I134 HydrophobicContact CE2-CD1 3.78Å; G114-I134 WeakPolarHBondContact O-CB 3.42Å; G114-I134 PolarHBondContact O-N 3.46Å; L116-I134 HydrophobicContact CB-CD1 4.19Å; L116-I134 HydrophobicContact CB-CG1 4.45Å; I134-G138 VanDerWaalsContact CG2-C 3.49Å; I134-G138 VanDerWaalsContact CG2-CA 3.44Å; I134-N139 CarbonylContact C-O 3.53Å; I134-N139 VanDerWaalsContact CA-O 3.32Å; I134-N139 WeakPolarHBondContact CA-O 3.42Å; I134-L140 HydrophobicContact CG1-CD2 3.97Å |
| 135 | D | 93.8 | Very high | 88.3 | Confident | 40 Ų | 40 | 56.4 Ų | 56.4 | 21% | 0.214 | 31% | 0.307 | C | S | . | . | trans | -71 | 174.4 | 179.4 | 73.6 | 14.3 | 0 | 0 | 0 | 113.1 | H59 Y137 G138 N139 E141 | H59-D135 PolarHBondContact CE1-O 3.31Å; H59-D135 VanDerWaalsContact CE1-O 3.28Å; H59-D135 PolarHBondContact NE2-O 2.94Å; D135-Y137 PolarHBondContact O-N 2.91Å; D135-Y137 VanDerWaalsContact OD1-C 3.27Å; D135-Y137 VanDerWaalsContact OD1-CA 3.28Å; D135-Y137 WeakPolarHBondContact OD1-CA 3.07Å; D135-Y137 WeakPolarHBondContact OD1-CB 3.49Å; D135-Y137 PolarHBondContact OD1-N 3.02Å; D135-G138 PolarHBondContact O-N 3.45Å; D135-G138 PolarHBondContact OD1-N 3.34Å; D135-N139 PolarHBondContact N-O 2.86Å; D135-N139 PolarHBondContact OD1-N 2.96Å; D135-E141 HydrophobicContact CB-CG 3.88Å | ||
| 136 | E | 94.1 | Very high | 87.2 | Confident | 146 Ų | 146 | 57.8 Ų | 57.8 | 68% | 0.682 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -11.3 | 178.5 | 66.3 | -178.7 | 178.3 | 0 | 0 | 114.8 | ||
| 137 | Y | 93.3 | Very high | 86.4 | Confident | 156 Ų | 156 | 58.3 Ų | 58.3 | 61% | 0.612 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 4.7 | 177.2 | -53.1 | -74.7 | 0 | 0 | 0 | 112.1 | K61 D135 N139 | K61-Y137 PolarHBondContact NZ-O 3.14Å; D135-Y137 PolarHBondContact O-N 2.91Å; D135-Y137 VanDerWaalsContact OD1-C 3.27Å; D135-Y137 VanDerWaalsContact OD1-CA 3.28Å; D135-Y137 WeakPolarHBondContact OD1-CA 3.07Å; D135-Y137 WeakPolarHBondContact OD1-CB 3.49Å; D135-Y137 PolarHBondContact OD1-N 3.02Å; Y137-N139 WeakPolarHBondContact CB-ND2 3.35Å |
| 138 | G | 94.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 74.2 | 22.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | H59 K61 W63 I134 D135 | H59-G138 PolarHBondContact CD2-N 2.76Å; H59-G138 WeakPolarHBondContact ND1-CA 3.49Å; K61-G138 WeakPolarHBondContact CD-O 3.46Å; K61-G138 WeakPolarHBondContact CE-O 3.18Å; K61-G138 PolarHBondContact NZ-O 3.22Å; W63-G138 WeakPolarHBondContact CZ2-O 3.1Å; I134-G138 VanDerWaalsContact CG2-C 3.49Å; I134-G138 VanDerWaalsContact CG2-CA 3.44Å; D135-G138 PolarHBondContact O-N 3.45Å; D135-G138 PolarHBondContact OD1-N 3.34Å |
| 139 | N | 94.2 | Very high | 84.9 | Confident | 45 Ų | 45 | 55.8 Ų | 55.8 | 24% | 0.241 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -105 | 156.3 | 175.9 | -52.5 | -53.6 | 0 | 0 | 0 | 109.6 | K61 I134 D135 Y137 E141 | K61-N139 PolarHBondContact NZ-OD1 3.19Å; I134-N139 CarbonylContact C-O 3.53Å; I134-N139 VanDerWaalsContact CA-O 3.32Å; I134-N139 WeakPolarHBondContact CA-O 3.42Å; D135-N139 PolarHBondContact N-O 2.86Å; D135-N139 PolarHBondContact OD1-N 2.96Å; Y137-N139 WeakPolarHBondContact CB-ND2 3.35Å; N139-E141 PolarHBondContact O-N 2.53Å |
| 140 | L | 91.8 | Very high | 84 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -63.2 | 133.6 | 169.9 | -64.4 | -170.3 | 0 | 0 | 0 | 110.5 | W63 V74 I98 L116 Y132 I134 M142 L148 | W63-L140 HydrophobicContact CH2-CD2 3.99Å; W63-L140 HydrophobicContact CH2-CG 3.8Å; W63-L140 HydrophobicContact CZ2-CD2 4.24Å; W63-L140 HydrophobicContact CZ3-CD2 4.48Å; W63-L140 HydrophobicContact CZ3-CG 4.13Å; V74-L140 HydrophobicContact CG2-CD1 3.71Å; I98-L140 HydrophobicContact CD1-CB 3.94Å; I98-L140 HydrophobicContact CD1-CD1 4.23Å; I98-L140 HydrophobicContact CD1-CG 4.27Å; L116-L140 HydrophobicContact CB-CD2 3.97Å; L116-L140 HydrophobicContact CD2-CD1 4.48Å; L116-L140 HydrophobicContact CD2-CD2 4.06Å; Y132-L140 HydrophobicContact CG-CD1 4.39Å; I134-L140 HydrophobicContact CG1-CD2 3.97Å; L140-M142 PolarHBondContact O-N 3.39Å; L140-L148 HydrophobicContact CB-CD2 3.59Å; L140-L148 HydrophobicContact CD1-CD1 4.5Å; L140-L148 HydrophobicContact CD1-CD2 3.73Å; L140-L148 HydrophobicContact CG-CD2 4.32Å |
| 141 | E | 88.8 | Confident | 83 | Confident | 74 Ų | 74 | 60.1 Ų | 60.1 | 35% | 0.346 | 33% | 0.334 | S | S | . | . | trans | -64.7 | 133.2 | 177.4 | -70.4 | -174 | -161.9 | 0 | 0 | 111.3 | P133 D135 N139 V149 | P133-E141 HydrophobicContact CB-CG 4.16Å; P133-E141 HydrophobicContact CG-CB 4.06Å; P133-E141 HydrophobicContact CG-CG 4.22Å; P133-E141 PolarHBondContact O-N 3.32Å; D135-E141 HydrophobicContact CB-CG 3.88Å; N139-E141 PolarHBondContact O-N 2.53Å; E141-V149 HydrophobicContact CB-CB 4Å; E141-V149 HydrophobicContact CB-CG2 3.81Å; E141-V149 PolarHBondContact O-N 2.81Å | ||
| 142 | M | 82.7 | Confident | 81.6 | Confident | 82 Ų | 82 | 64.8 Ų | 64.8 | 40% | 0.404 | 36% | 0.364 | S | S | . | . | B | Isolated β-bridge | trans | -116.3 | 134.3 | -179.7 | -56.7 | -65.4 | -67.4 | 0 | 0 | 109.9 | I98 L140 E146 S147 L148 | I98-M142 HydrophobicContact CD1-SD 4.34Å; L140-M142 PolarHBondContact O-N 3.39Å; M142-E146 HydrophobicContact CE-CB 4.3Å; M142-E146 WeakPolarHBondContact CE-O 3.42Å; M142-S147 CarbonylContact C-O 3.58Å; M142-S147 WeakPolarHBondContact CA-O 3.36Å; M142-L148 HydrophobicContact SD-CD2 3.49Å; M142-L148 WeakPolarHBondContact SD-CD2 3.18Å; M142-L148 HydrophobicContact SD-CG 4.02Å |
| 143 | M | 77.9 | Confident | 80.4 | Confident | 101 Ų | 101 | 70.7 Ų | 70.7 | 50% | 0.498 | 39% | 0.387 | S | S | . | . | trans | -72.3 | 164.1 | 166.1 | -64.4 | -164.6 | -178.1 | 0 | 0 | 111.2 | G145 E146 S147 V149 | M143-G145 PolarHBondContact O-N 2.73Å; M143-E146 PolarHBondContact O-N 3.25Å; M143-S147 PolarHBondContact N-O 3.18Å; M143-V149 HydrophobicContact CE-CB 4.45Å; M143-V149 HydrophobicContact CE-CG1 4.34Å; M143-V149 HydrophobicContact CE-CG2 4.38Å; M143-V149 HydrophobicContact CG-CB 4.46Å; M143-V149 HydrophobicContact CG-CG2 3.63Å | ||
| 144 | A | 69.9 | Low | 79.3 | Confident | 111 Ų | 111 | 76.9 Ų | 76.9 | 92% | 0.917 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 121.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 145 | G | 66.6 | Low | 78.8 | Confident | 67 Ų | 67 | 79.1 Ų | 79.1 | 69% | 0.691 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.6 | 23 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | M143 S147 | M143-G145 PolarHBondContact O-N 2.73Å; G145-S147 PolarHBondContact O-N 3.01Å |
| 146 | E | 68 | Low | 78.6 | Confident | 158 Ų | 158 | 79.8 Ų | 79.8 | 74% | 0.738 | 44% | 0.437 | S | S | * | . | S | Bend | trans | 62.9 | 23 | 172 | -53.6 | -179.2 | 176.4 | 0 | 0 | 115 | M142 M143 | M142-E146 HydrophobicContact CE-CB 4.3Å; M142-E146 WeakPolarHBondContact CE-O 3.42Å; M143-E146 PolarHBondContact O-N 3.25Å |
| 147 | S | 74 | Confident | 78.5 | Confident | 71 Ų | 71 | 76.9 Ų | 76.9 | 50% | 0.497 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -94.8 | 144.2 | 170.5 | -59.9 | 0 | 0 | 0 | 0 | 109.8 | M142 M143 G145 | M142-S147 CarbonylContact C-O 3.58Å; M142-S147 WeakPolarHBondContact CA-O 3.36Å; M143-S147 PolarHBondContact N-O 3.18Å; G145-S147 PolarHBondContact O-N 3.01Å |
| 148 | L | 76.2 | Confident | 78.5 | Confident | 26 Ų | 26 | 69.4 Ų | 69.4 | 14% | 0.136 | 40% | 0.395 | C | S | . | . | B | Isolated β-bridge | trans | -67.3 | 144.4 | 175.9 | -76 | 162.1 | 0 | 0 | 0 | 110.5 | I98 L100 Y132 L140 M142 N150 | I98-L148 HydrophobicContact CG2-CD1 4.35Å; L100-L148 HydrophobicContact CD2-CD1 3.32Å; Y132-L148 HydrophobicContact CD1-CB 3.89Å; Y132-L148 HydrophobicContact CD1-CD1 3.91Å; Y132-L148 HydrophobicContact CD1-CD2 4.34Å; Y132-L148 HydrophobicContact CD1-CG 4.27Å; Y132-L148 HydrophobicContact CE1-CB 3.9Å; Y132-L148 HydrophobicContact CE1-CD1 3.65Å; Y132-L148 HydrophobicContact CE1-CG 4.33Å; L140-L148 HydrophobicContact CB-CD2 3.59Å; L140-L148 HydrophobicContact CD1-CD1 4.5Å; L140-L148 HydrophobicContact CD1-CD2 3.73Å; L140-L148 HydrophobicContact CG-CD2 4.32Å; M142-L148 HydrophobicContact SD-CD2 3.49Å; M142-L148 WeakPolarHBondContact SD-CD2 3.18Å; M142-L148 HydrophobicContact SD-CG 4.02Å; L148-N150 PolarHBondContact O-N 3.06Å |
| 149 | V | 71.4 | Confident | 78.5 | Confident | 30 Ų | 30 | 69.8 Ų | 69.8 | 18% | 0.182 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 120.6 | 164.6 | 177.3 | 0 | 0 | 0 | 0 | 107.7 | P133 E141 M143 | P133-V149 WeakPolarHBondContact CD-O 3.46Å; P133-V149 HydrophobicContact CG-CB 4Å; P133-V149 HydrophobicContact CG-CG1 3.82Å; E141-V149 HydrophobicContact CB-CB 4Å; E141-V149 HydrophobicContact CB-CG2 3.81Å; E141-V149 PolarHBondContact O-N 2.81Å; M143-V149 HydrophobicContact CE-CB 4.45Å; M143-V149 HydrophobicContact CE-CG1 4.34Å; M143-V149 HydrophobicContact CE-CG2 4.38Å; M143-V149 HydrophobicContact CG-CB 4.46Å; M143-V149 HydrophobicContact CG-CG2 3.63Å |
| 150 | N | 70 | Confident | 78.5 | Confident | 103 Ų | 103 | 72.5 Ų | 72.5 | 55% | 0.551 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -68 | 139.1 | 167.6 | -71.6 | -25.8 | 0 | 0 | 0 | 108.5 | L148 | L148-N150 PolarHBondContact O-N 3.06Š|
| 151 | S | 67.2 | Low | 78.6 | Confident | 11 Ų | 11 | 74.6 Ų | 74.6 | 8% | 0.077 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 163.1 | 171.4 | 76.1 | 0 | 0 | 0 | 0 | 110.6 | C131 Y153 | C131-S151 VanDerWaalsContact O-CB 3.24Å; C131-S151 WeakPolarHBondContact O-CB 3.26Å; C131-S151 PolarHBondContact O-N 2.93Å; C131-S151 PolarHBondContact O-OG 2.93Å; C131-S151 WeakPolarHBondContact SG-CB 3.43Å; C131-S151 PolarHBondContact SG-OG 3.43Å; S151-Y153 PolarHBondContact O-N 3.17Å; S151-Y153 VanDerWaalsContact O-N 3.11Å; S151-Y153 PolarHBondContact OG-N 2.91Å; S151-Y153 VanDerWaalsContact OG-N 3.12Å; S151-Y153 PolarHBondContact OG-O 3.08Å |
| 152 | P | 61.7 | Low | 78.8 | Confident | 102 Ų | 102 | 71.1 Ų | 71.1 | 66% | 0.662 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -63.8 | -10.6 | 170.2 | 27.5 | -36.4 | 0 | 0 | 0 | 113.2 | ||
| 153 | Y | 65.8 | Low | 79.4 | Confident | 136 Ų | 136 | 68.2 Ų | 68.2 | 53% | 0.533 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -95.3 | 125.5 | 177.8 | -52.7 | -74 | 0 | 0 | 0 | 108.7 | S151 | S151-Y153 PolarHBondContact O-N 3.17Å; S151-Y153 VanDerWaalsContact O-N 3.11Å; S151-Y153 PolarHBondContact OG-N 2.91Å; S151-Y153 VanDerWaalsContact OG-N 3.12Å; S151-Y153 PolarHBondContact OG-O 3.08Å |
| 154 | D | 69.7 | Low | 80.2 | Confident | 139 Ų | 139 | 63.4 Ų | 63.4 | 74% | 0.743 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 171.2 | 176 | -154.7 | -15 | 0 | 0 | 0 | 111 | L156 | D154-L156 PolarHBondContact O-N 2.82Š|
| 155 | T | 83.4 | Confident | 81.4 | Confident | 61 Ų | 61 | 58.2 Ų | 58.2 | 37% | 0.374 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 123.7 | 172.6 | -59.4 | 0 | 0 | 0 | 0 | 110.2 | K128 | K128-T155 HydrophobicContact CB-CG2 3.68Å; K128-T155 HydrophobicContact CD-CG2 3.72Å; K128-T155 HydrophobicContact CG-CG2 3.95Å |
| 156 | L | 89.2 | Confident | 82.9 | Confident | 54 Ų | 54 | 55 Ų | 55 | 28% | 0.283 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 138.1 | -177 | -68.5 | 166.9 | 0 | 0 | 0 | 110.8 | K128 F129 D154 F196 | K128-L156 CarbonylContact C-O 3.48Å; K128-L156 WeakPolarHBondContact CA-O 3.26Å; F129-L156 HydrophobicContact CD1-CB 4.11Å; F129-L156 HydrophobicContact CE1-CB 3.59Å; F129-L156 HydrophobicContact CE1-CD1 4.12Å; F129-L156 HydrophobicContact CE2-CB 4.2Å; F129-L156 HydrophobicContact CE2-CD1 3.72Å; F129-L156 HydrophobicContact CE2-CG 4.5Å; F129-L156 HydrophobicContact CZ-CB 3.67Å; F129-L156 HydrophobicContact CZ-CD1 3.33Å; F129-L156 HydrophobicContact CZ-CG 4.12Å; F129-L156 PolarHBondContact N-O 2.85Å; F129-L156 PolarHBondContact O-N 3.35Å; F129-L156 VanDerWaalsContact O-N 3.08Å; D154-L156 PolarHBondContact O-N 2.82Å; L156-F196 HydrophobicContact CB-CD2 4.34Å; L156-F196 HydrophobicContact CD1-CD2 4.36Å; L156-F196 HydrophobicContact CD1-CE2 3.91Å; L156-F196 HydrophobicContact CD2-CE2 4.46Å |
| 157 | M | 92.2 | Very high | 84.2 | Confident | 85 Ų | 85 | 48.2 Ų | 48.2 | 42% | 0.419 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 139.3 | 176.3 | -62.8 | -171 | -60.3 | 0 | 0 | 110.2 | G127 D195 F196 S197 | G127-M157 WeakPolarHBondContact O-CA 3.2Å; M157-D195 WeakPolarHBondContact CE-OD2 3.45Å; M157-F196 CarbonylContact O-C 3.48Å; M157-F196 WeakPolarHBondContact O-CB 3.39Å; M157-S197 PolarHBondContact O-N 2.68Å |
| 158 | I | 94.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 167.3 | 174.4 | 49.7 | 172.3 | 0 | 0 | 0 | 109.3 | A119 P126 G127 F129 I162 L174 F196 | A119-I158 HydrophobicContact CB-CD1 4.03Å; P126-I158 CarbonylContact C-O 3.56Å; P126-I158 WeakPolarHBondContact CA-O 3.5Å; P126-I158 WeakPolarHBondContact CB-O 3.3Å; G127-I158 PolarHBondContact N-O 3.18Å; G127-I158 PolarHBondContact O-N 2.93Å; F129-I158 HydrophobicContact CD1-CD1 4.47Å; F129-I158 HydrophobicContact CD1-CG2 3.41Å; F129-I158 VanDerWaalsContact CD1-CG2 3.41Å; F129-I158 HydrophobicContact CE1-CG2 3.64Å; I158-I162 HydrophobicContact CB-CG1 4.48Å; I158-I162 HydrophobicContact CD1-CB 4.11Å; I158-I162 HydrophobicContact CD1-CG1 4.13Å; I158-I162 HydrophobicContact CD1-CG2 4.18Å; I158-I162 HydrophobicContact CG1-CG1 4.5Å; I158-L174 HydrophobicContact CB-CD1 3.95Å; I158-L174 HydrophobicContact CG2-CD1 3.58Å; I158-L174 HydrophobicContact CG2-CD2 4.42Å; I158-F196 HydrophobicContact CG2-CB 4Å |
| 159 | P | 94.7 | Very high | 86.2 | Confident | 8 Ų | 8 | 51.7 Ų | 51.7 | 5% | 0.052 | 26% | 0.259 | C | S | . | . | trans | -59.8 | 163.2 | 178.4 | -23.1 | 37 | 0 | 0 | 0 | 111 | G127 I162 F186 F196 L199 | G127-P159 PolarHBondContact N-O 3.34Å; P159-I162 HydrophobicContact CB-CD1 4.13Å; P159-I162 HydrophobicContact CB-CG1 4.38Å; P159-I162 HydrophobicContact CG-CD1 4.38Å; P159-I162 VanDerWaalsContact O-CG1 3.29Å; P159-I162 WeakPolarHBondContact O-CG1 3.49Å; P159-F186 HydrophobicContact CB-CD2 4.43Å; P159-F186 HydrophobicContact CB-CE2 3.99Å; P159-F186 HydrophobicContact CG-CD2 3.92Å; P159-F186 HydrophobicContact CG-CE2 3.95Å; P159-F196 VanDerWaalsContact CD-O 3.24Å; P159-F196 WeakPolarHBondContact CD-O 3.29Å; P159-L199 HydrophobicContact CB-CD2 4.38Å; P159-L199 HydrophobicContact CG-CD2 3.7Å | ||
| 160 | K | 93.6 | Very high | 87.3 | Confident | 101 Ų | 101 | 52.1 Ų | 52.1 | 44% | 0.439 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 158.9 | 170 | 64.8 | -172 | 171.6 | -167.5 | 0 | 111.2 | E125 I162 Q176 | E125-K160 WeakPolarHBondContact O-CB 3.38Å; K160-I162 VanDerWaalsContact C-N 3.26Å; K160-I162 PolarHBondContact O-N 3Å; K160-Q176 PolarHBondContact O-NE2 3.3Å |
| 161 | K | 93.4 | Very high | 88.5 | Confident | 47 Ų | 47 | 47.2 Ų | 47.2 | 20% | 0.204 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 30.4 | 171.6 | -56.7 | 163.2 | 172.5 | -166.8 | 0 | 114.3 | F121 S122 L123 Q176 S177 W178 | F121-K161 HydrophobicContact CE2-CB 4.14Å; F121-K161 HydrophobicContact CE2-CG 4.4Å; F121-K161 HydrophobicContact CZ-CG 4.35Å; S122-K161 PolarHBondContact O-N 2.77Å; L123-K161 HydrophobicContact CD1-CD 4.44Å; L123-K161 HydrophobicContact CD1-CG 4.14Å; L123-K161 VanDerWaalsContact O-CE 3.23Å; L123-K161 WeakPolarHBondContact O-CE 3.44Å; K161-Q176 HydrophobicContact CB-CG 4.19Å; K161-Q176 WeakPolarHBondContact O-CA 3.34Å; K161-S177 PolarHBondContact O-N 2.84Å; K161-W178 HydrophobicContact CD-CB 3.81Å; K161-W178 HydrophobicContact CD-CD2 4.38Å; K161-W178 HydrophobicContact CD-CG 3.93Å |
| 162 | I | 94.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 127.2 | 172.4 | -63.5 | -52.4 | 0 | 0 | 0 | 109.4 | I158 P159 K160 G164 L174 S175 Q176 F186 | I158-I162 HydrophobicContact CB-CG1 4.48Å; I158-I162 HydrophobicContact CD1-CB 4.11Å; I158-I162 HydrophobicContact CD1-CG1 4.13Å; I158-I162 HydrophobicContact CD1-CG2 4.18Å; I158-I162 HydrophobicContact CG1-CG1 4.5Å; P159-I162 HydrophobicContact CB-CD1 4.13Å; P159-I162 HydrophobicContact CB-CG1 4.38Å; P159-I162 HydrophobicContact CG-CD1 4.38Å; P159-I162 VanDerWaalsContact O-CG1 3.29Å; P159-I162 WeakPolarHBondContact O-CG1 3.49Å; K160-I162 VanDerWaalsContact C-N 3.26Å; K160-I162 PolarHBondContact O-N 3Å; I162-G164 VanDerWaalsContact CG2-O 3.24Å; I162-G164 WeakPolarHBondContact CG2-O 3.21Å; I162-L174 HydrophobicContact CD1-CB 3.88Å; I162-L174 HydrophobicContact CG1-CB 4.49Å; I162-L174 HydrophobicContact CG2-CB 4.37Å; I162-L174 HydrophobicContact CG2-CD2 4.45Å; I162-S175 CarbonylContact C-O 3.51Å; I162-S175 VanDerWaalsContact CA-O 3.29Å; I162-S175 WeakPolarHBondContact CA-O 3.16Å; I162-Q176 HydrophobicContact CD1-CB 3.89Å; I162-Q176 HydrophobicContact CD1-CG 4.45Å; I162-F186 HydrophobicContact CD1-CD2 4.02Å; I162-F186 HydrophobicContact CD1-CE2 4.02Å |
| 163 | Q | 94.2 | Very high | 91.6 | Very high | 21 Ų | 21 | 41.9 Ų | 41.9 | 10% | 0.098 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | -21.9 | 179.1 | -59.4 | -64.2 | 8.4 | 0 | 0 | 112.5 | A108 S175 S177 E213 | A108-Q163 WeakPolarHBondContact CB-O 3.24Å; Q163-S175 PolarHBondContact N-O 2.95Å; Q163-S177 PolarHBondContact NE2-O 2.85Å; Q163-E213 PolarHBondContact OE1-OE2 2.94Å |
| 164 | G | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 153.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I162 L174 S175 | I162-G164 VanDerWaalsContact CG2-O 3.24Å; I162-G164 WeakPolarHBondContact CG2-O 3.21Å; G164-L174 WeakPolarHBondContact O-CA 3.45Å; G164-S175 WeakPolarHBondContact CA-OG 3.25Å; G164-S175 PolarHBondContact N-O 3.33Å; G164-S175 PolarHBondContact N-OG 3.35Å; G164-S175 PolarHBondContact O-N 2.81Å; G164-S175 PolarHBondContact O-OG 3.25Å |
| 165 | L | 95.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 137.9 | 179.7 | 178.9 | 153.6 | 0 | 0 | 0 | 107.4 | T110 A119 F129 L172 L173 L174 | T110-L165 WeakPolarHBondContact CB-O 3.21Å; T110-L165 HydrophobicContact CG2-CD2 3.22Å; A119-L165 HydrophobicContact CB-CD1 4.36Å; F129-L165 HydrophobicContact CB-CD1 4.15Å; F129-L165 HydrophobicContact CD1-CD1 3.96Å; F129-L165 HydrophobicContact CD2-CD1 4.42Å; F129-L165 HydrophobicContact CE1-CD1 4.43Å; F129-L165 HydrophobicContact CG-CD1 3.93Å; L165-L172 HydrophobicContact CD1-CD1 3.91Å; L165-L172 HydrophobicContact CD2-CD1 4.03Å; L165-L172 HydrophobicContact CG-CD1 3.72Å; L165-L173 WeakPolarHBondContact CA-O 3.39Å; L165-L174 HydrophobicContact CB-CD2 3.85Å; L165-L174 HydrophobicContact CD1-CD2 3.53Å; L165-L174 HydrophobicContact CG-CD2 3.59Å |
| 166 | T | 97 | Very high | 95.1 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 146.3 | 171.2 | -172.8 | 0 | 0 | 0 | 0 | 109.3 | L173 I215 V217 | T166-L173 HydrophobicContact CG2-CB 3.78Å; T166-L173 PolarHBondContact N-O 2.87Å; T166-L173 PolarHBondContact O-N 2.95Å; T166-I215 HydrophobicContact CG2-CD1 3.96Å; T166-I215 HydrophobicContact CG2-CG1 3.95Å; T166-V217 HydrophobicContact CG2-CB 4.38Å; T166-V217 HydrophobicContact CG2-CG2 3.8Å; T166-V217 PolarHBondContact OG1-N 3.27Å |
| 167 | I | 96.5 | Very high | 95.4 | Very high | 15 Ų | 15 | 25.2 Ų | 25.2 | 8% | 0.077 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 137.7 | 175.1 | -66 | 167.8 | 0 | 0 | 0 | 108 | T110 D112 Y117 L171 L172 I190 | T110-I167 HydrophobicContact CG2-CD1 4.3Å; T110-I167 HydrophobicContact CG2-CG1 4.34Å; D112-I167 HydrophobicContact CB-CB 4.1Å; D112-I167 HydrophobicContact CB-CD1 3.91Å; D112-I167 HydrophobicContact CB-CG2 4.24Å; Y117-I167 HydrophobicContact CD1-CD1 3.96Å; Y117-I167 HydrophobicContact CD2-CD1 4.01Å; Y117-I167 HydrophobicContact CE1-CD1 3.64Å; Y117-I167 HydrophobicContact CE2-CD1 3.71Å; Y117-I167 HydrophobicContact CG-CD1 4.15Å; I167-L171 WeakPolarHBondContact CA-O 3.4Å; I167-L172 HydrophobicContact CG1-CD1 3.96Å; I167-I190 HydrophobicContact CG1-CD1 4.4Å; I167-I190 HydrophobicContact CG2-CD1 3.91Å |
| 168 | Y | 96.2 | Very high | 95.3 | Very high | 39 Ų | 39 | 27.3 Ų | 27.3 | 15% | 0.153 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 109.5 | 173.8 | 179.4 | -108.1 | 0 | 0 | 0 | 109.9 | N170 L171 V217 G220 L249 L258 | Y168-N170 PolarHBondContact O-N 3.12Å; Y168-L171 PolarHBondContact N-O 2.87Å; Y168-L171 WeakPolarHBondContact O-CB 3.36Å; Y168-L171 PolarHBondContact O-N 2.88Å; Y168-V217 HydrophobicContact CD1-CG1 3.84Å; Y168-V217 HydrophobicContact CD2-CB 4.34Å; Y168-V217 HydrophobicContact CD2-CG1 3.55Å; Y168-V217 HydrophobicContact CE1-CG1 4.39Å; Y168-V217 HydrophobicContact CE2-CG1 4.14Å; Y168-V217 HydrophobicContact CG-CB 4.17Å; Y168-V217 HydrophobicContact CG-CG1 3.38Å; Y168-G220 PolarHBondContact OH-N 2.84Å; Y168-G220 VanDerWaalsContact OH-N 3.14Å; Y168-L249 HydrophobicContact CD1-CD2 4.04Å; Y168-L258 HydrophobicContact CE1-CD1 4.33Å |
| 169 | K | 94.5 | Very high | 95.1 | Very high | 130 Ų | 130 | 28.9 Ų | 28.9 | 57% | 0.565 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | -122.9 | -170.7 | -54.7 | 175.6 | 175.9 | 178.4 | 0 | 109.8 | L171 L258 | K169-L171 VanDerWaalsContact C-N 3.33Å; K169-L258 HydrophobicContact CD-CD1 4.32Å; K169-L258 HydrophobicContact CD-CD2 4.45Å |
| 170 | N | 94.5 | Very high | 95 | Very high | 39 Ų | 39 | 32 Ų | 32 | 21% | 0.209 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 1.8 | 175.1 | 58.9 | -49.4 | 0 | 0 | 0 | 113.7 | Y168 D189 I190 L258 | Y168-N170 PolarHBondContact O-N 3.12Å; N170-D189 PolarHBondContact ND2-OD2 2.92Å; N170-I190 WeakPolarHBondContact O-CB 3.28Å; N170-I190 WeakPolarHBondContact O-CG1 3.42Å; N170-I190 PolarHBondContact O-N 2.94Å; N170-L258 WeakPolarHBondContact OD1-CD2 3.45Å |
| 171 | L | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 132.2 | -175.2 | -56 | 179.5 | 0 | 0 | 0 | 112 | I167 Y168 K169 L173 V187 F188 L203 L253 L258 | I167-L171 WeakPolarHBondContact CA-O 3.4Å; Y168-L171 PolarHBondContact N-O 2.87Å; Y168-L171 WeakPolarHBondContact O-CB 3.36Å; Y168-L171 PolarHBondContact O-N 2.88Å; K169-L171 VanDerWaalsContact C-N 3.33Å; L171-L173 HydrophobicContact CB-CD1 3.65Å; L171-V187 HydrophobicContact CD1-CG1 4.24Å; L171-V187 HydrophobicContact CD2-CG1 4.27Å; L171-F188 WeakPolarHBondContact CA-O 3.31Å; L171-L203 HydrophobicContact CD2-CD1 3.89Å; L171-L253 HydrophobicContact CD1-CD1 3.6Å; L171-L258 HydrophobicContact CD1-CD1 4.2Å; L171-L258 HydrophobicContact CD1-CD2 4.01Å; L171-L258 HydrophobicContact CD1-CG 4.22Å; L171-L258 HydrophobicContact CD2-CD2 4.32Å; L171-L258 HydrophobicContact CG-CD2 4.02Å |
| 172 | L | 96.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 121.7 | 162.3 | 178.9 | 67.6 | 0 | 0 | 0 | 108.7 | F129 L165 I167 L174 F188 I190 F196 | F129-L172 HydrophobicContact CE1-CD2 4.02Å; F129-L172 HydrophobicContact CZ-CD2 4.27Å; L165-L172 HydrophobicContact CD1-CD1 3.91Å; L165-L172 HydrophobicContact CD2-CD1 4.03Å; L165-L172 HydrophobicContact CG-CD1 3.72Å; I167-L172 HydrophobicContact CG1-CD1 3.96Å; L172-L174 HydrophobicContact CD1-CD2 4.05Å; L172-L174 HydrophobicContact CD2-CD1 4.31Å; L172-L174 HydrophobicContact CD2-CD2 4.14Å; L172-L174 HydrophobicContact CD2-CG 4.29Å; L172-L174 HydrophobicContact CG-CD2 3.98Å; L172-L174 HydrophobicContact CG-CG 4.16Å; L172-F188 HydrophobicContact CB-CB 4.39Å; L172-F188 PolarHBondContact N-O 3.37Å; L172-F188 PolarHBondContact O-N 2.79Å; L172-I190 HydrophobicContact CB-CD1 4.27Å; L172-I190 HydrophobicContact CB-CG1 3.82Å; L172-F196 HydrophobicContact CB-CE1 4.28Å; L172-F196 HydrophobicContact CD2-CB 4.31Å; L172-F196 HydrophobicContact CD2-CD1 3.48Å; L172-F196 VanDerWaalsContact CD2-CD1 3.48Å; L172-F196 HydrophobicContact CD2-CD2 4.2Å; L172-F196 HydrophobicContact CD2-CE1 3.73Å; L172-F196 HydrophobicContact CD2-CE2 4.43Å; L172-F196 HydrophobicContact CD2-CG 3.73Å; L172-F196 HydrophobicContact CD2-CZ 4.21Å |
| 173 | L | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 129.7 | 174.5 | -68.6 | 83.2 | 0 | 0 | 0 | 109.8 | L165 T166 L171 I185 F186 V187 I215 V217 L222 L249 | L165-L173 WeakPolarHBondContact CA-O 3.39Å; T166-L173 HydrophobicContact CG2-CB 3.78Å; T166-L173 PolarHBondContact N-O 2.87Å; T166-L173 PolarHBondContact O-N 2.95Å; L171-L173 HydrophobicContact CB-CD1 3.65Å; L173-I185 HydrophobicContact CB-CG2 4.3Å; L173-I185 HydrophobicContact CD2-CG2 4.16Å; L173-F186 VanDerWaalsContact CA-O 3.3Å; L173-F186 WeakPolarHBondContact CA-O 3.34Å; L173-V187 HydrophobicContact CD2-CG2 4.23Å; L173-V187 HydrophobicContact CG-CG1 4.3Å; L173-V187 HydrophobicContact CG-CG2 4.16Å; L173-I215 HydrophobicContact CB-CD1 3.84Å; L173-V217 HydrophobicContact CD2-CG2 4.04Å; L173-L222 HydrophobicContact CD2-CD1 4.46Å; L173-L249 HydrophobicContact CD2-CD1 3.87Å; L173-L249 HydrophobicContact CD2-CD2 4.23Å |
| 174 | L | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 124.8 | -179.3 | -55.6 | 177.2 | 0 | 0 | 0 | 110 | I158 I162 G164 L165 L172 I185 F186 F188 | I158-L174 HydrophobicContact CB-CD1 3.95Å; I158-L174 HydrophobicContact CG2-CD1 3.58Å; I158-L174 HydrophobicContact CG2-CD2 4.42Å; I162-L174 HydrophobicContact CD1-CB 3.88Å; I162-L174 HydrophobicContact CG1-CB 4.49Å; I162-L174 HydrophobicContact CG2-CB 4.37Å; I162-L174 HydrophobicContact CG2-CD2 4.45Å; G164-L174 WeakPolarHBondContact O-CA 3.45Å; L165-L174 HydrophobicContact CB-CD2 3.85Å; L165-L174 HydrophobicContact CD1-CD2 3.53Å; L165-L174 HydrophobicContact CG-CD2 3.59Å; L172-L174 HydrophobicContact CD1-CD2 4.05Å; L172-L174 HydrophobicContact CD2-CD1 4.31Å; L172-L174 HydrophobicContact CD2-CD2 4.14Å; L172-L174 HydrophobicContact CD2-CG 4.29Å; L172-L174 HydrophobicContact CG-CD2 3.98Å; L172-L174 HydrophobicContact CG-CG 4.16Å; L174-I185 CarbonylContact O-C 3.52Å; L174-I185 VanDerWaalsContact O-CA 3.31Å; L174-I185 WeakPolarHBondContact O-CA 3.44Å; L174-F186 HydrophobicContact CB-CB 4.42Å; L174-F186 HydrophobicContact CB-CD2 4.35Å; L174-F186 PolarHBondContact N-O 3.32Å; L174-F186 PolarHBondContact O-N 3.04Å; L174-F188 HydrophobicContact CD1-CD2 4.38Å; L174-F188 HydrophobicContact CD1-CE2 4.03Å |
| 175 | S | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 130.9 | 172 | 54.6 | 0 | 0 | 0 | 0 | 111 | I162 Q163 G164 K184 L212 E213 | I162-S175 CarbonylContact C-O 3.51Å; I162-S175 VanDerWaalsContact CA-O 3.29Å; I162-S175 WeakPolarHBondContact CA-O 3.16Å; Q163-S175 PolarHBondContact N-O 2.95Å; G164-S175 WeakPolarHBondContact CA-OG 3.25Å; G164-S175 PolarHBondContact N-O 3.33Å; G164-S175 PolarHBondContact N-OG 3.35Å; G164-S175 PolarHBondContact O-N 2.81Å; G164-S175 PolarHBondContact O-OG 3.25Å; S175-K184 CarbonylContact C-O 3.22Å; S175-K184 WeakPolarHBondContact CA-O 3.37Å; S175-L212 VanDerWaalsContact CB-CD2 3.48Å; S175-E213 VanDerWaalsContact CB-O 3.3Å; S175-E213 WeakPolarHBondContact CB-O 3.29Å; S175-E213 PolarHBondContact OG-O 2.89Å |
| 176 | Q | 96.4 | Very high | 95.8 | Very high | 35 Ų | 35 | 37 Ų | 37 | 16% | 0.164 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 132.1 | 176.2 | -176 | -176.4 | 73.8 | 0 | 0 | 109.7 | K160 K161 I162 G183 K184 F186 | K160-Q176 PolarHBondContact O-NE2 3.3Å; K161-Q176 HydrophobicContact CB-CG 4.19Å; K161-Q176 WeakPolarHBondContact O-CA 3.34Å; I162-Q176 HydrophobicContact CD1-CB 3.89Å; I162-Q176 HydrophobicContact CD1-CG 4.45Å; Q176-G183 CarbonylContact O-C 3.58Å; Q176-G183 WeakPolarHBondContact O-CA 3.3Å; Q176-K184 HydrophobicContact CB-CB 4.42Å; Q176-K184 PolarHBondContact N-O 3.12Å; Q176-K184 PolarHBondContact O-N 3.39Å; Q176-F186 HydrophobicContact CB-CD2 4.41Å; Q176-F186 HydrophobicContact CB-CE2 3.62Å; Q176-F186 HydrophobicContact CB-CZ 4.18Å; Q176-F186 HydrophobicContact CG-CE2 4.19Å |
| 177 | S | 94.7 | Very high | 95.9 | Very high | 4 Ų | 4 | 37 Ų | 37 | 3% | 0.028 | 19% | 0.186 | C | C | . | . | trans | -153.7 | 149.6 | 168.7 | -155.2 | 0 | 0 | 0 | 0 | 112.8 | K161 Q163 Y211 L212 | K161-S177 PolarHBondContact O-N 2.84Å; Q163-S177 PolarHBondContact NE2-O 2.85Å; S177-Y211 WeakPolarHBondContact OG-CA 3.15Å; S177-Y211 PolarHBondContact OG-N 3.06Å; S177-Y211 VanDerWaalsContact OG-N 3.12Å; S177-L212 WeakPolarHBondContact CB-O 3.34Å; S177-L212 PolarHBondContact OG-N 2.83Å | ||
| 178 | W | 92 | Very high | 95.9 | Very high | 129 Ų | 129 | 36.3 Ų | 36.3 | 49% | 0.489 | 18% | 0.182 | S | C | . | . | trans | -156.6 | 110.1 | 175.6 | -173.7 | -103.5 | 0 | 0 | 0 | 112.4 | F121 L123 K161 | F121-W178 AromaticContact CZ-CE3 3.99Å; F121-W178 HydrophobicContact CZ-CE3 3.99Å; F121-W178 AromaticContact CZ-CZ3 3.73Å; F121-W178 HydrophobicContact CZ-CZ3 3.73Å; L123-W178 HydrophobicContact CD1-CD2 3.83Å; L123-W178 HydrophobicContact CD1-CE3 3.79Å; L123-W178 HydrophobicContact CD1-CH2 3.45Å; L123-W178 VanDerWaalsContact CD1-CH2 3.45Å; L123-W178 HydrophobicContact CD1-CZ2 3.47Å; L123-W178 VanDerWaalsContact CD1-CZ2 3.47Å; L123-W178 HydrophobicContact CD1-CZ3 3.62Å; L123-W178 HydrophobicContact CD2-CZ2 4.41Å; K161-W178 HydrophobicContact CD-CB 3.81Å; K161-W178 HydrophobicContact CD-CD2 4.38Å; K161-W178 HydrophobicContact CD-CG 3.93Å | ||
| 179 | G | 89.6 | Confident | 95.9 | Very high | 33 Ų | 33 | 35.2 Ų | 35.2 | 34% | 0.34 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | -144 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q181 Y211 | G179-Q181 PolarHBondContact O-N 3.28Å; G179-Y211 WeakPolarHBondContact O-CE1 3.41Å |
| 180 | T | 92.5 | Very high | 95.9 | Very high | 74 Ų | 74 | 31.9 Ų | 31.9 | 45% | 0.454 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 0.6 | -175.3 | 59.1 | 0 | 0 | 0 | 0 | 114.1 | Y211 K236 | T180-Y211 HydrophobicContact CG2-CE2 4.47Å; T180-Y211 WeakPolarHBondContact CG2-OH 3.36Å; T180-K236 HydrophobicContact CG2-CB 4.17Å; T180-K236 WeakPolarHBondContact CG2-O 3.35Å |
| 181 | Q | 93.7 | Very high | 95.8 | Very high | 127 Ų | 127 | 37.4 Ų | 37.4 | 59% | 0.593 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -78.2 | 148.5 | -179.5 | -59.8 | -57.1 | -43.9 | 0 | 0 | 110.4 | G179 G183 P210 | G179-Q181 PolarHBondContact O-N 3.28Å; Q181-G183 PolarHBondContact O-N 3.34Å; Q181-P210 WeakPolarHBondContact O-CA 3Å; Q181-P210 VanDerWaalsContact O-CB 3.25Å; Q181-P210 WeakPolarHBondContact O-CB 3.45Å |
| 182 | P | 96.3 | Very high | 95.7 | Very high | 73 Ų | 73 | 44.7 Ų | 44.7 | 47% | 0.474 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.1 | 132.7 | 172.6 | -27.2 | 35.3 | 0 | 0 | 0 | 111.4 | T208 | P182-T208 WeakPolarHBondContact CA-O 3.47Å; P182-T208 WeakPolarHBondContact CB-O 3.43Å |
| 183 | G | 97.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 169.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q176 Q181 T208 P209 | Q176-G183 CarbonylContact O-C 3.58Å; Q176-G183 WeakPolarHBondContact O-CA 3.3Å; Q181-G183 PolarHBondContact O-N 3.34Å; G183-T208 WeakPolarHBondContact CA-OG1 3.06Å; G183-T208 PolarHBondContact N-O 3.36Å; G183-T208 VanDerWaalsContact N-O 3.14Å; G183-T208 PolarHBondContact O-N 2.79Å; G183-T208 PolarHBondContact O-OG1 2.59Å; G183-P209 PolarHBondContact N-O 2.86Å |
| 184 | K | 98.2 | Very high | 95.3 | Very high | 72 Ų | 72 | 49.5 Ų | 49.5 | 31% | 0.313 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 150.4 | 175.4 | -69.5 | 172 | -178 | 159 | 0 | 111 | S175 Q176 F186 I205 I206 | S175-K184 CarbonylContact C-O 3.22Å; S175-K184 WeakPolarHBondContact CA-O 3.37Å; Q176-K184 HydrophobicContact CB-CB 4.42Å; Q176-K184 PolarHBondContact N-O 3.12Å; Q176-K184 PolarHBondContact O-N 3.39Å; K184-F186 HydrophobicContact CB-CE1 4.02Å; K184-F186 HydrophobicContact CB-CZ 4.04Å; K184-F186 HydrophobicContact CD-CE1 3.97Å; K184-F186 HydrophobicContact CD-CZ 4.08Å; K184-I205 HydrophobicContact CB-CG2 4.3Å; K184-I205 HydrophobicContact CD-CG2 4Å; K184-I205 HydrophobicContact CG-CG2 4.22Å; K184-I206 CarbonylContact C-O 3.6Å; K184-I206 VanDerWaalsContact CA-O 3.26Å; K184-I206 WeakPolarHBondContact CA-O 3.24Å |
| 185 | I | 98.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.015 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 118.9 | 162.7 | -60.2 | 171.9 | 0 | 0 | 0 | 107.3 | L173 L174 V187 I205 I206 T208 L212 I215 L222 | L173-I185 HydrophobicContact CB-CG2 4.3Å; L173-I185 HydrophobicContact CD2-CG2 4.16Å; L174-I185 CarbonylContact O-C 3.52Å; L174-I185 VanDerWaalsContact O-CA 3.31Å; L174-I185 WeakPolarHBondContact O-CA 3.44Å; I185-V187 HydrophobicContact CG2-CG2 4.29Å; I185-I205 WeakPolarHBondContact O-CA 3.31Å; I185-I206 HydrophobicContact CB-CB 4.27Å; I185-I206 PolarHBondContact N-O 2.85Å; I185-I206 PolarHBondContact O-N 2.85Å; I185-T208 HydrophobicContact CD1-CG2 3.96Å; I185-T208 HydrophobicContact CG1-CG2 3.96Å; I185-L212 HydrophobicContact CD1-CD2 4.23Å; I185-L212 HydrophobicContact CG1-CD2 3.65Å; I185-I215 HydrophobicContact CD1-CG2 4.12Å; I185-I215 HydrophobicContact CG1-CD1 4.48Å; I185-I215 HydrophobicContact CG2-CD1 4.06Å; I185-L222 HydrophobicContact CD1-CD2 3.65Å |
| 186 | F | 98.2 | Very high | 95 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 135.9 | 171.5 | -51.7 | -60.8 | 0 | 0 | 0 | 108.9 | P159 I162 L173 L174 Q176 K184 F188 L199 I205 | P159-F186 HydrophobicContact CB-CD2 4.43Å; P159-F186 HydrophobicContact CB-CE2 3.99Å; P159-F186 HydrophobicContact CG-CD2 3.92Å; P159-F186 HydrophobicContact CG-CE2 3.95Å; I162-F186 HydrophobicContact CD1-CD2 4.02Å; I162-F186 HydrophobicContact CD1-CE2 4.02Å; L173-F186 VanDerWaalsContact CA-O 3.3Å; L173-F186 WeakPolarHBondContact CA-O 3.34Å; L174-F186 HydrophobicContact CB-CB 4.42Å; L174-F186 HydrophobicContact CB-CD2 4.35Å; L174-F186 PolarHBondContact N-O 3.32Å; L174-F186 PolarHBondContact O-N 3.04Å; Q176-F186 HydrophobicContact CB-CD2 4.41Å; Q176-F186 HydrophobicContact CB-CE2 3.62Å; Q176-F186 HydrophobicContact CB-CZ 4.18Å; Q176-F186 HydrophobicContact CG-CE2 4.19Å; K184-F186 HydrophobicContact CB-CE1 4.02Å; K184-F186 HydrophobicContact CB-CZ 4.04Å; K184-F186 HydrophobicContact CD-CE1 3.97Å; K184-F186 HydrophobicContact CD-CZ 4.08Å; F186-F188 HydrophobicContact CB-CD2 4.2Å; F186-F188 HydrophobicContact CB-CE2 3.49Å; F186-F188 VanDerWaalsContact CB-CE2 3.49Å; F186-F188 HydrophobicContact CB-CZ 4.2Å; F186-F188 HydrophobicContact CG-CE2 4.42Å; F186-L199 HydrophobicContact CD1-CD2 3.72Å; F186-L199 HydrophobicContact CD2-CD2 4.24Å; F186-L199 HydrophobicContact CE1-CD1 3.98Å; F186-L199 HydrophobicContact CE1-CD2 3.65Å; F186-L199 HydrophobicContact CE1-CG 4.47Å; F186-L199 HydrophobicContact CE2-CD2 4.16Å; F186-L199 HydrophobicContact CG-CD2 4.02Å; F186-L199 HydrophobicContact CZ-CD1 4.13Å; F186-L199 HydrophobicContact CZ-CD2 3.88Å; F186-I205 HydrophobicContact CD1-CB 4.34Å; F186-I205 HydrophobicContact CD1-CD1 4.13Å; F186-I205 HydrophobicContact CD1-CG1 3.94Å; F186-I205 HydrophobicContact CD1-CG2 3.82Å; F186-I205 HydrophobicContact CE1-CD1 4.14Å; F186-I205 HydrophobicContact CE1-CG1 4.36Å; F186-I205 HydrophobicContact CE1-CG2 3.74Å |
| 187 | V | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 122.2 | 179.4 | -172.8 | 0 | 0 | 0 | 0 | 108 | L171 L173 I185 A202 L203 K204 I206 L253 | L171-V187 HydrophobicContact CD1-CG1 4.24Å; L171-V187 HydrophobicContact CD2-CG1 4.27Å; L173-V187 HydrophobicContact CD2-CG2 4.23Å; L173-V187 HydrophobicContact CG-CG1 4.3Å; L173-V187 HydrophobicContact CG-CG2 4.16Å; I185-V187 HydrophobicContact CG2-CG2 4.29Å; V187-A202 CarbonylContact O-C 3.52Å; V187-L203 WeakPolarHBondContact O-CB 3.24Å; V187-L203 PolarHBondContact O-N 2.94Å; V187-K204 HydrophobicContact CB-CB 4.22Å; V187-K204 HydrophobicContact CG2-CB 4.33Å; V187-K204 PolarHBondContact N-O 2.79Å; V187-K204 PolarHBondContact O-N 2.95Å; V187-I206 HydrophobicContact CG2-CD1 4.24Å; V187-L253 HydrophobicContact CB-CD2 4.24Å; V187-L253 HydrophobicContact CG1-CD2 3.87Å; V187-L253 HydrophobicContact CG2-CD2 3.85Å |
| 188 | F | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 149.6 | 179.9 | -64.8 | -87.7 | 0 | 0 | 0 | 110.5 | L171 L172 L174 F186 T193 F196 L199 E201 A202 | L171-F188 WeakPolarHBondContact CA-O 3.31Å; L172-F188 HydrophobicContact CB-CB 4.39Å; L172-F188 PolarHBondContact N-O 3.37Å; L172-F188 PolarHBondContact O-N 2.79Å; L174-F188 HydrophobicContact CD1-CD2 4.38Å; L174-F188 HydrophobicContact CD1-CE2 4.03Å; F186-F188 HydrophobicContact CB-CD2 4.2Å; F186-F188 HydrophobicContact CB-CE2 3.49Å; F186-F188 VanDerWaalsContact CB-CE2 3.49Å; F186-F188 HydrophobicContact CB-CZ 4.2Å; F186-F188 HydrophobicContact CG-CE2 4.42Å; F188-T193 HydrophobicContact CD1-CG2 3.7Å; F188-T193 HydrophobicContact CE1-CG2 4.29Å; F188-T193 HydrophobicContact CG-CG2 4.41Å; F188-F196 HydrophobicContact CB-CD1 3.63Å; F188-F196 HydrophobicContact CB-CE1 3.79Å; F188-F196 HydrophobicContact CD1-CD1 4.07Å; F188-F196 HydrophobicContact CD2-CD1 4.09Å; F188-F196 AromaticContact CG-CD1 3.69Å; F188-F196 HydrophobicContact CG-CD1 3.69Å; F188-F196 HydrophobicContact CG-CE1 4.36Å; F188-F196 WeakPolarHBondContact CZ-O 3.18Å; F188-L199 HydrophobicContact CZ-CD2 4.31Å; F188-E201 HydrophobicContact CE1-CB 4.47Å; F188-A202 HydrophobicContact CD1-CB 4.1Å; F188-A202 VanDerWaalsContact CE1-CA 3.5Å; F188-A202 HydrophobicContact CE1-CB 3.63Å; F188-A202 HydrophobicContact CE2-CB 4.46Å; F188-A202 HydrophobicContact CZ-CB 3.83Å |
| 189 | D | 95.7 | Very high | 95.2 | Very high | 17 Ų | 17 | 51 Ų | 51 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 123.5 | 162.6 | -166.9 | -62.7 | 0 | 0 | 0 | 108.8 | N170 H191 E192 T193 L203 | N170-D189 PolarHBondContact ND2-OD2 2.92Å; D189-H191 PolarHBondContact O-N 3.01Å; D189-H191 WeakPolarHBondContact OD1-CA 3.29Å; D189-H191 WeakPolarHBondContact OD1-CB 3.24Å; D189-H191 IonicContact OD1-CD2 4Å; D189-H191 PolarHBondContact OD1-N 3.48Å; D189-E192 HydrophobicContact CB-CB 4.02Å; D189-E192 HydrophobicContact CB-CG 4.21Å; D189-E192 PolarHBondContact O-N 2.8Å; D189-E192 PolarHBondContact OD1-N 3.32Å; D189-T193 WeakPolarHBondContact O-CB 3.23Å; D189-T193 PolarHBondContact O-N 2.81Å; D189-T193 PolarHBondContact O-OG1 3.24Å; D189-L203 HydrophobicContact CB-CD1 4.01Å; D189-L203 HydrophobicContact CB-CD2 4.4Å; D189-L203 HydrophobicContact CB-CG 4.39Å |
| 190 | I | 94.1 | Very high | 95.6 | Very high | 59 Ų | 59 | 56.8 Ų | 56.8 | 30% | 0.303 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -30.3 | -177.6 | -67.7 | 167.6 | 0 | 0 | 0 | 112 | I167 N170 L172 | I167-I190 HydrophobicContact CG1-CD1 4.4Å; I167-I190 HydrophobicContact CG2-CD1 3.91Å; N170-I190 WeakPolarHBondContact O-CB 3.28Å; N170-I190 WeakPolarHBondContact O-CG1 3.42Å; N170-I190 PolarHBondContact O-N 2.94Å; L172-I190 HydrophobicContact CB-CD1 4.27Å; L172-I190 HydrophobicContact CB-CG1 3.82Å |
| 191 | H | 92.9 | Very high | 95.8 | Very high | 156 Ų | 156 | 56 Ų | 56 | 72% | 0.722 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -24.1 | -176.3 | -57.5 | -53.4 | 0 | 0 | 0 | 113.3 | D189 | D189-H191 PolarHBondContact O-N 3.01Å; D189-H191 WeakPolarHBondContact OD1-CA 3.29Å; D189-H191 WeakPolarHBondContact OD1-CB 3.24Å; D189-H191 IonicContact OD1-CD2 4Å; D189-H191 PolarHBondContact OD1-N 3.48Å |
| 192 | E | 93.9 | Very high | 95.9 | Very high | 152 Ų | 152 | 51 Ų | 51 | 71% | 0.71 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -14.2 | -179.3 | -53.9 | -172.8 | 165.2 | 0 | 0 | 113.6 | D189 | D189-E192 HydrophobicContact CB-CB 4.02Å; D189-E192 HydrophobicContact CB-CG 4.21Å; D189-E192 PolarHBondContact O-N 2.8Å; D189-E192 PolarHBondContact OD1-N 3.32Å |
| 193 | T | 94.6 | Very high | 95.9 | Very high | 16 Ų | 16 | 50.9 Ų | 50.9 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | trans | -91.6 | 124.6 | -179.9 | -52.2 | 0 | 0 | 0 | 0 | 110.9 | F188 D189 F196 E201 | F188-T193 HydrophobicContact CD1-CG2 3.7Å; F188-T193 HydrophobicContact CE1-CG2 4.29Å; F188-T193 HydrophobicContact CG-CG2 4.41Å; D189-T193 WeakPolarHBondContact O-CB 3.23Å; D189-T193 PolarHBondContact O-N 2.81Å; D189-T193 PolarHBondContact O-OG1 3.24Å; T193-F196 HydrophobicContact CG2-CD1 3.45Å; T193-F196 VanDerWaalsContact CG2-CD1 3.45Å; T193-F196 HydrophobicContact CG2-CE1 3.69Å; T193-F196 HydrophobicContact CG2-CG 3.99Å; T193-F196 HydrophobicContact CG2-CZ 4.37Å; T193-E201 HydrophobicContact CG2-CB 4.06Å | ||
| 194 | A | 92.2 | Very high | 95.8 | Very high | 87 Ų | 87 | 54.1 Ų | 54.1 | 72% | 0.719 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -89.5 | -35.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E201 | A194-E201 PolarHBondContact N-OE2 3.11Š|
| 195 | D | 93.2 | Very high | 95.8 | Very high | 45 Ų | 45 | 54.4 Ų | 54.4 | 24% | 0.241 | 29% | 0.29 | C | S | . | . | trans | -136 | 104.1 | 179.6 | -178.3 | -0.5 | 0 | 0 | 0 | 111 | M157 S197 N198 E201 | M157-D195 WeakPolarHBondContact CE-OD2 3.45Å; D195-S197 VanDerWaalsContact CG-OG 3.24Å; D195-S197 PolarHBondContact O-N 3.37Å; D195-S197 VanDerWaalsContact O-N 3.09Å; D195-S197 WeakPolarHBondContact OD1-CA 3.33Å; D195-S197 VanDerWaalsContact OD1-CB 3.27Å; D195-S197 WeakPolarHBondContact OD1-CB 3.21Å; D195-S197 PolarHBondContact OD1-N 3.36Å; D195-S197 PolarHBondContact OD1-OG 3.08Å; D195-S197 PolarHBondContact OD2-OG 2.94Å; D195-S197 VanDerWaalsContact OD2-OG 3.13Å; D195-N198 HydrophobicContact CB-CB 4.22Å; D195-N198 WeakPolarHBondContact O-CB 3.41Å; D195-N198 PolarHBondContact O-N 2.91Å; D195-E201 PolarHBondContact N-OE2 3.14Å | ||
| 196 | F | 95.4 | Very high | 95.7 | Very high | 10 Ų | 10 | 55.3 Ų | 55.3 | 4% | 0.044 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -9.7 | 179.6 | -56.6 | -78.1 | 0 | 0 | 0 | 113.6 | F129 L156 M157 I158 P159 L172 F188 T193 | F129-F196 HydrophobicContact CE1-CD2 4.17Å; F129-F196 HydrophobicContact CZ-CD2 4.41Å; F129-F196 HydrophobicContact CZ-CE2 4.45Å; L156-F196 HydrophobicContact CB-CD2 4.34Å; L156-F196 HydrophobicContact CD1-CD2 4.36Å; L156-F196 HydrophobicContact CD1-CE2 3.91Å; L156-F196 HydrophobicContact CD2-CE2 4.46Å; M157-F196 CarbonylContact O-C 3.48Å; M157-F196 WeakPolarHBondContact O-CB 3.39Å; I158-F196 HydrophobicContact CG2-CB 4Å; P159-F196 VanDerWaalsContact CD-O 3.24Å; P159-F196 WeakPolarHBondContact CD-O 3.29Å; L172-F196 HydrophobicContact CB-CE1 4.28Å; L172-F196 HydrophobicContact CD2-CB 4.31Å; L172-F196 HydrophobicContact CD2-CD1 3.48Å; L172-F196 VanDerWaalsContact CD2-CD1 3.48Å; L172-F196 HydrophobicContact CD2-CD2 4.2Å; L172-F196 HydrophobicContact CD2-CE1 3.73Å; L172-F196 HydrophobicContact CD2-CE2 4.43Å; L172-F196 HydrophobicContact CD2-CG 3.73Å; L172-F196 HydrophobicContact CD2-CZ 4.21Å; F188-F196 HydrophobicContact CB-CD1 3.63Å; F188-F196 HydrophobicContact CB-CE1 3.79Å; F188-F196 HydrophobicContact CD1-CD1 4.07Å; F188-F196 HydrophobicContact CD2-CD1 4.09Å; F188-F196 AromaticContact CG-CD1 3.69Å; F188-F196 HydrophobicContact CG-CD1 3.69Å; F188-F196 HydrophobicContact CG-CE1 4.36Å; F188-F196 WeakPolarHBondContact CZ-O 3.18Å; T193-F196 HydrophobicContact CG2-CD1 3.45Å; T193-F196 VanDerWaalsContact CG2-CD1 3.45Å; T193-F196 HydrophobicContact CG2-CE1 3.69Å; T193-F196 HydrophobicContact CG2-CG 3.99Å; T193-F196 HydrophobicContact CG2-CZ 4.37Å |
| 197 | S | 95.3 | Very high | 95.7 | Very high | 26 Ų | 26 | 62.5 Ų | 62.5 | 18% | 0.182 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -17.6 | 171.4 | 79.5 | 0 | 0 | 0 | 0 | 113.3 | M157 D195 L199 | M157-S197 PolarHBondContact O-N 2.68Å; D195-S197 VanDerWaalsContact CG-OG 3.24Å; D195-S197 PolarHBondContact O-N 3.37Å; D195-S197 VanDerWaalsContact O-N 3.09Å; D195-S197 WeakPolarHBondContact OD1-CA 3.33Å; D195-S197 VanDerWaalsContact OD1-CB 3.27Å; D195-S197 WeakPolarHBondContact OD1-CB 3.21Å; D195-S197 PolarHBondContact OD1-N 3.36Å; D195-S197 PolarHBondContact OD1-OG 3.08Å; D195-S197 PolarHBondContact OD2-OG 2.94Å; D195-S197 VanDerWaalsContact OD2-OG 3.13Å; S197-L199 PolarHBondContact O-N 3.09Å |
| 198 | N | 96.2 | Very high | 95.6 | Very high | 54 Ų | 54 | 63.5 Ų | 63.5 | 29% | 0.289 | 34% | 0.335 | S | S | . | . | trans | -83.1 | 105.8 | 176.1 | -176.9 | 10.4 | 0 | 0 | 0 | 111 | D195 D200 E201 | D195-N198 HydrophobicContact CB-CB 4.22Å; D195-N198 WeakPolarHBondContact O-CB 3.41Å; D195-N198 PolarHBondContact O-N 2.91Å; N198-D200 PolarHBondContact O-N 2.83Å; N198-D200 PolarHBondContact OD1-N 3.12Å; N198-E201 HydrophobicContact CB-CG 4.44Å; N198-E201 PolarHBondContact ND2-OE1 3.12Å; N198-E201 PolarHBondContact O-N 3.41Å; N198-E201 VanDerWaalsContact O-N 3.15Å | ||
| 199 | L | 96.5 | Very high | 95.6 | Very high | 65 Ų | 65 | 65.1 Ų | 65.1 | 34% | 0.34 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -70 | -16 | -177.3 | -61.3 | -175.4 | 0 | 0 | 0 | 114 | P159 F186 F188 S197 E201 A202 I205 | P159-L199 HydrophobicContact CB-CD2 4.38Å; P159-L199 HydrophobicContact CG-CD2 3.7Å; F186-L199 HydrophobicContact CD1-CD2 3.72Å; F186-L199 HydrophobicContact CD2-CD2 4.24Å; F186-L199 HydrophobicContact CE1-CD1 3.98Å; F186-L199 HydrophobicContact CE1-CD2 3.65Å; F186-L199 HydrophobicContact CE1-CG 4.47Å; F186-L199 HydrophobicContact CE2-CD2 4.16Å; F186-L199 HydrophobicContact CG-CD2 4.02Å; F186-L199 HydrophobicContact CZ-CD1 4.13Å; F186-L199 HydrophobicContact CZ-CD2 3.88Å; F188-L199 HydrophobicContact CZ-CD2 4.31Å; S197-L199 PolarHBondContact O-N 3.09Å; L199-E201 PolarHBondContact O-N 2.95Å; L199-A202 VanDerWaalsContact O-CB 3.3Å; L199-A202 WeakPolarHBondContact O-CB 3.33Å; L199-A202 PolarHBondContact O-N 3.48Å; L199-I205 HydrophobicContact CB-CD1 4.35Å |
| 200 | D | 96.8 | Very high | 95.6 | Very high | 154 Ų | 154 | 64.5 Ų | 64.5 | 82% | 0.824 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -71 | -19.7 | 174.6 | -66.1 | -23.6 | 0 | 0 | 0 | 111.8 | N198 | N198-D200 PolarHBondContact O-N 2.83Å; N198-D200 PolarHBondContact OD1-N 3.12Å |
| 201 | E | 96.7 | Very high | 95.7 | Very high | 59 Ų | 59 | 62.3 Ų | 62.3 | 28% | 0.276 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -87.6 | -6.1 | 173.3 | -68.2 | 175.7 | -126.1 | 0 | 0 | 112.6 | F188 T193 A194 D195 N198 L199 L203 | F188-E201 HydrophobicContact CE1-CB 4.47Å; T193-E201 HydrophobicContact CG2-CB 4.06Å; A194-E201 PolarHBondContact N-OE2 3.11Å; D195-E201 PolarHBondContact N-OE2 3.14Å; N198-E201 HydrophobicContact CB-CG 4.44Å; N198-E201 PolarHBondContact ND2-OE1 3.12Å; N198-E201 PolarHBondContact O-N 3.41Å; N198-E201 VanDerWaalsContact O-N 3.15Å; L199-E201 PolarHBondContact O-N 2.95Å; E201-L203 PolarHBondContact O-N 2.86Å |
| 202 | A | 97.1 | Very high | 95.9 | Very high | 20 Ų | 20 | 54.9 Ų | 54.9 | 17% | 0.165 | 30% | 0.296 | C | S | . | . | trans | -69.3 | 123 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | V187 F188 L199 K204 I205 | V187-A202 CarbonylContact O-C 3.52Å; F188-A202 HydrophobicContact CD1-CB 4.1Å; F188-A202 VanDerWaalsContact CE1-CA 3.5Å; F188-A202 HydrophobicContact CE1-CB 3.63Å; F188-A202 HydrophobicContact CE2-CB 4.46Å; F188-A202 HydrophobicContact CZ-CB 3.83Å; L199-A202 VanDerWaalsContact O-CB 3.3Å; L199-A202 WeakPolarHBondContact O-CB 3.33Å; L199-A202 PolarHBondContact O-N 3.48Å; A202-K204 PolarHBondContact O-N 2.97Å; A202-I205 HydrophobicContact CB-CG1 4.14Å | ||
| 203 | L | 96 | Very high | 96 | Very high | 71 Ų | 71 | 48 Ų | 48 | 37% | 0.372 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -59.1 | -35.8 | 173.1 | -56.4 | 177.8 | 0 | 0 | 0 | 111.7 | L171 V187 D189 E201 M257 | L171-L203 HydrophobicContact CD2-CD1 3.89Å; V187-L203 WeakPolarHBondContact O-CB 3.24Å; V187-L203 PolarHBondContact O-N 2.94Å; D189-L203 HydrophobicContact CB-CD1 4.01Å; D189-L203 HydrophobicContact CB-CD2 4.4Å; D189-L203 HydrophobicContact CB-CG 4.39Å; E201-L203 PolarHBondContact O-N 2.86Å; L203-M257 HydrophobicContact CB-CE 3.33Å; L203-M257 HydrophobicContact CD1-CE 3.75Å; L203-M257 HydrophobicContact CG-CE 4.19Å |
| 204 | K | 96.1 | Very high | 96.1 | Very high | 70 Ų | 70 | 47.4 Ų | 47.4 | 30% | 0.304 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 145.2 | 178.2 | -158.3 | 162.9 | -163.2 | 164.5 | 0 | 112.5 | V187 A202 I206 L252 L253 M257 | V187-K204 HydrophobicContact CB-CB 4.22Å; V187-K204 HydrophobicContact CG2-CB 4.33Å; V187-K204 PolarHBondContact N-O 2.79Å; V187-K204 PolarHBondContact O-N 2.95Å; A202-K204 PolarHBondContact O-N 2.97Å; K204-I206 HydrophobicContact CD-CG1 4.25Å; K204-I206 HydrophobicContact CG-CG1 4.1Å; K204-L252 WeakPolarHBondContact CE-O 3.17Å; K204-L252 PolarHBondContact NZ-O 3.3Å; K204-L253 HydrophobicContact CB-CD2 4.5Å; K204-L253 HydrophobicContact CD-CD2 4.28Å; K204-L253 PolarHBondContact NZ-O 3.12Å; K204-M257 HydrophobicContact CB-CE 4.26Å; K204-M257 HydrophobicContact CD-SD 4.37Å |
| 205 | I | 97.4 | Very high | 96.3 | Very high | 78 Ų | 78 | 43.2 Ų | 43.2 | 40% | 0.4 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 117.2 | 168.9 | -50.5 | -173.6 | 0 | 0 | 0 | 107.6 | K184 I185 F186 L199 A202 | K184-I205 HydrophobicContact CB-CG2 4.3Å; K184-I205 HydrophobicContact CD-CG2 4Å; K184-I205 HydrophobicContact CG-CG2 4.22Å; I185-I205 WeakPolarHBondContact O-CA 3.31Å; F186-I205 HydrophobicContact CD1-CB 4.34Å; F186-I205 HydrophobicContact CD1-CD1 4.13Å; F186-I205 HydrophobicContact CD1-CG1 3.94Å; F186-I205 HydrophobicContact CD1-CG2 3.82Å; F186-I205 HydrophobicContact CE1-CD1 4.14Å; F186-I205 HydrophobicContact CE1-CG1 4.36Å; F186-I205 HydrophobicContact CE1-CG2 3.74Å; L199-I205 HydrophobicContact CB-CD1 4.35Å; A202-I205 HydrophobicContact CB-CG1 4.14Å |
| 206 | I | 97 | Very high | 96.5 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 11% | 0.113 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 122 | -178.6 | -56.8 | 167.6 | 0 | 0 | 0 | 108.1 | K184 I185 V187 K204 L252 | K184-I206 CarbonylContact C-O 3.6Å; K184-I206 VanDerWaalsContact CA-O 3.26Å; K184-I206 WeakPolarHBondContact CA-O 3.24Å; I185-I206 HydrophobicContact CB-CB 4.27Å; I185-I206 PolarHBondContact N-O 2.85Å; I185-I206 PolarHBondContact O-N 2.85Å; V187-I206 HydrophobicContact CG2-CD1 4.24Å; K204-I206 HydrophobicContact CD-CG1 4.25Å; K204-I206 HydrophobicContact CG-CG1 4.1Å; I206-L252 HydrophobicContact CD1-CB 4.17Å |
| 207 | E | 96.8 | Very high | 96.7 | Very high | 152 Ų | 152 | 42.4 Ų | 42.4 | 71% | 0.71 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 144 | 171.8 | -65.1 | -167.9 | 136.1 | 0 | 0 | 111.2 | ||
| 208 | T | 97.1 | Very high | 96.7 | Very high | 20 Ų | 20 | 43.6 Ų | 43.6 | 12% | 0.123 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 163.9 | -178.9 | 64 | 0 | 0 | 0 | 0 | 110.2 | P182 G183 I185 L212 | P182-T208 WeakPolarHBondContact CA-O 3.47Å; P182-T208 WeakPolarHBondContact CB-O 3.43Å; G183-T208 WeakPolarHBondContact CA-OG1 3.06Å; G183-T208 PolarHBondContact N-O 3.36Å; G183-T208 VanDerWaalsContact N-O 3.14Å; G183-T208 PolarHBondContact O-N 2.79Å; G183-T208 PolarHBondContact O-OG1 2.59Å; I185-T208 HydrophobicContact CD1-CG2 3.96Å; I185-T208 HydrophobicContact CG1-CG2 3.96Å; T208-L212 HydrophobicContact CG2-CD2 4.02Å |
| 209 | P | 96.5 | Very high | 96.6 | Very high | 35 Ų | 35 | 47 Ų | 47 | 23% | 0.227 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.3 | 157 | 165.8 | -27.1 | 36.4 | 0 | 0 | 0 | 112.6 | G183 F226 M241 | G183-P209 PolarHBondContact N-O 2.86Å; P209-F226 HydrophobicContact CB-CD1 4.31Å; P209-F226 HydrophobicContact CB-CE1 3.85Å; P209-F226 HydrophobicContact CB-CZ 4.48Å; P209-F226 HydrophobicContact CG-CE1 4.18Å; P209-F226 HydrophobicContact CG-CZ 4.33Å; P209-M241 HydrophobicContact CB-CG 4.13Å; P209-M241 HydrophobicContact CB-SD 4.45Å; P209-M241 HydrophobicContact CG-CG 4.33Å; P209-M241 HydrophobicContact CG-SD 4.09Å |
| 210 | P | 96.6 | Very high | 96.5 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 161 | 175.3 | 28.7 | -36.1 | 0 | 0 | 0 | 112 | Q181 T237 | Q181-P210 WeakPolarHBondContact O-CA 3Å; Q181-P210 VanDerWaalsContact O-CB 3.25Å; Q181-P210 WeakPolarHBondContact O-CB 3.45Å; P210-T237 HydrophobicContact CG-CG2 4.2Å; P210-T237 WeakPolarHBondContact CG-OG1 3.34Å |
| 211 | Y | 96.2 | Very high | 96.5 | Very high | 12 Ų | 12 | 39.5 Ų | 39.5 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 64.2 | 36.4 | -179.8 | -51 | -83.1 | 0 | 0 | 0 | 114.1 | S177 G179 T180 F226 E227 Y233 K236 T237 | S177-Y211 WeakPolarHBondContact OG-CA 3.15Å; S177-Y211 PolarHBondContact OG-N 3.06Å; S177-Y211 VanDerWaalsContact OG-N 3.12Å; G179-Y211 WeakPolarHBondContact O-CE1 3.41Å; T180-Y211 HydrophobicContact CG2-CE2 4.47Å; T180-Y211 WeakPolarHBondContact CG2-OH 3.36Å; Y211-F226 CarbonylContact O-C 3.58Å; Y211-F226 WeakPolarHBondContact O-CA 3.21Å; Y211-F226 WeakPolarHBondContact O-CB 3.47Å; Y211-E227 PolarHBondContact O-N 3.14Å; Y211-Y233 HydrophobicContact CD1-CD1 4.03Å; Y211-Y233 HydrophobicContact CD1-CG 4.3Å; Y211-Y233 AromaticContact CE1-CD1 3.54Å; Y211-Y233 HydrophobicContact CE1-CD1 3.54Å; Y211-Y233 HydrophobicContact CE1-CE1 4.16Å; Y211-Y233 HydrophobicContact CE1-CG 4.16Å; Y211-K236 VanDerWaalsContact OH-CB 3.26Å; Y211-K236 WeakPolarHBondContact OH-CB 3.48Å; Y211-T237 HydrophobicContact CD2-CG2 3.9Å; Y211-T237 HydrophobicContact CE2-CG2 3.68Å |
| 212 | L | 97 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 126.6 | 169.8 | 176.6 | 70.7 | 0 | 0 | 0 | 109.4 | S175 S177 I185 T208 I215 A224 F226 | S175-L212 VanDerWaalsContact CB-CD2 3.48Å; S177-L212 WeakPolarHBondContact CB-O 3.34Å; S177-L212 PolarHBondContact OG-N 2.83Å; I185-L212 HydrophobicContact CD1-CD2 4.23Å; I185-L212 HydrophobicContact CG1-CD2 3.65Å; T208-L212 HydrophobicContact CG2-CD2 4.02Å; L212-I215 HydrophobicContact CD1-CG2 3.96Å; L212-A224 HydrophobicContact CD1-CB 3.87Å; L212-F226 HydrophobicContact CB-CD1 4.06Å; L212-F226 HydrophobicContact CB-CE1 3.83Å; L212-F226 HydrophobicContact CD1-CD1 4.25Å; L212-F226 HydrophobicContact CD1-CE1 3.73Å; L212-F226 HydrophobicContact CD1-CE2 4.25Å; L212-F226 HydrophobicContact CD1-CZ 3.72Å; L212-F226 HydrophobicContact CG-CE1 4.38Å |
| 213 | E | 95.4 | Very high | 96.6 | Very high | 9 Ų | 9 | 37 Ų | 37 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | -119.9 | 178.3 | -62.3 | -58.1 | 139.6 | 0 | 0 | 110.3 | Q4 Q163 S175 L225 E227 | Q4-E213 HydrophobicContact CG-CG 4.32Å; Q4-E213 WeakPolarHBondContact O-CB 3.31Å; Q163-E213 PolarHBondContact OE1-OE2 2.94Å; S175-E213 VanDerWaalsContact CB-O 3.3Å; S175-E213 WeakPolarHBondContact CB-O 3.29Å; S175-E213 PolarHBondContact OG-O 2.89Å; E213-L225 PolarHBondContact N-O 2.89Å; E213-E227 HydrophobicContact CG-CB 4.49Å; E213-E227 HydrophobicContact CG-CG 3.26Å |
| 214 | Q | 95.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 140.2 | -179.4 | -169.6 | 162 | 4.6 | 0 | 0 | 112.8 | Q4 L6 L53 L109 L225 | Q4-Q214 WeakPolarHBondContact O-CB 3.46Å; Q4-Q214 PolarHBondContact O-N 2.9Å; L6-Q214 HydrophobicContact CB-CB 4.01Å; L6-Q214 HydrophobicContact CB-CG 4.04Å; L6-Q214 PolarHBondContact O-NE2 2.92Å; L6-Q214 PolarHBondContact O-OE1 2.9Å; L53-Q214 PolarHBondContact O-NE2 3.36Å; L109-Q214 PolarHBondContact O-NE2 2.84Å; Q214-L225 WeakPolarHBondContact O-CB 3.38Å; Q214-L225 PolarHBondContact O-N 2.87Å |
| 215 | I | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 152.5 | 169.7 | 56.8 | 170.9 | 0 | 0 | 0 | 110 | T166 L173 I185 L212 L222 F223 A224 | T166-I215 HydrophobicContact CG2-CD1 3.96Å; T166-I215 HydrophobicContact CG2-CG1 3.95Å; L173-I215 HydrophobicContact CB-CD1 3.84Å; I185-I215 HydrophobicContact CD1-CG2 4.12Å; I185-I215 HydrophobicContact CG1-CD1 4.48Å; I185-I215 HydrophobicContact CG2-CD1 4.06Å; L212-I215 HydrophobicContact CD1-CG2 3.96Å; I215-L222 HydrophobicContact CB-CD1 4Å; I215-L222 HydrophobicContact CD1-CD1 4.48Å; I215-L222 HydrophobicContact CG2-CD1 4.34Å; I215-F223 CarbonylContact C-O 3.59Å; I215-F223 VanDerWaalsContact CA-O 3.24Å; I215-F223 WeakPolarHBondContact CA-O 3.41Å; I215-A224 HydrophobicContact CG2-CB 4.12Å |
| 216 | H | 97.7 | Very high | 96.8 | Very high | 30 Ų | 30 | 27.4 Ų | 27.4 | 14% | 0.139 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 144.5 | 174 | -172.8 | 75.8 | 0 | 0 | 0 | 109.4 | L6 F223 | L6-H216 HydrophobicContact CD2-CB 4.37Å; H216-F223 PolarHBondContact N-O 3.01Å; H216-F223 PolarHBondContact O-N 3.41Å |
| 217 | V | 97.7 | Very high | 96.8 | Very high | 7 Ų | 7 | 27 Ų | 27 | 4% | 0.042 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 130.2 | 177.6 | -180 | 0 | 0 | 0 | 0 | 110.3 | T166 Y168 L173 Q221 L222 L249 | T166-V217 HydrophobicContact CG2-CB 4.38Å; T166-V217 HydrophobicContact CG2-CG2 3.8Å; T166-V217 PolarHBondContact OG1-N 3.27Å; Y168-V217 HydrophobicContact CD1-CG1 3.84Å; Y168-V217 HydrophobicContact CD2-CB 4.34Å; Y168-V217 HydrophobicContact CD2-CG1 3.55Å; Y168-V217 HydrophobicContact CE1-CG1 4.39Å; Y168-V217 HydrophobicContact CE2-CG1 4.14Å; Y168-V217 HydrophobicContact CG-CB 4.17Å; Y168-V217 HydrophobicContact CG-CG1 3.38Å; L173-V217 HydrophobicContact CD2-CG2 4.04Å; V217-Q221 VanDerWaalsContact CA-O 3.31Å; V217-Q221 WeakPolarHBondContact CA-O 3.3Å; V217-L222 HydrophobicContact CG2-CB 4.3Å; V217-L222 HydrophobicContact CG2-CD1 3.59Å; V217-L249 HydrophobicContact CG1-CD2 3.61Å; V217-L249 HydrophobicContact CG2-CD2 4.05Å |
| 218 | E | 95.6 | Very high | 96.7 | Very high | 52 Ų | 52 | 19.8 Ų | 19.8 | 24% | 0.243 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 137.2 | 175.5 | -167.2 | -169.1 | -172.6 | 0 | 0 | 109.6 | L8 R33 G220 Q221 | L8-E218 HydrophobicContact CD1-CB 4.32Å; L8-E218 WeakPolarHBondContact CD1-OE2 3.2Å; R33-E218 IonicContact CZ-OE1 2.73Å; R33-E218 IonicContact CZ-OE2 3.47Å; R33-E218 IonicContact NE-OE2 2.86Å; R33-E218 IonicContact NH1-OE1 3.42Å; R33-E218 IonicContact NH2-OE1 3.46Å; R33-E218 PolarHBondContact NH2-OE1 3.15Å; R33-E218 IonicContact NH2-OE2 3.73Å; R33-E218 PolarHBondContact NH2-OE2 2.65Å; E218-G220 PolarHBondContact O-N 3.11Å; E218-Q221 PolarHBondContact N-O 3.42Å; E218-Q221 WeakPolarHBondContact O-CB 3.47Å; E218-Q221 PolarHBondContact O-N 3.32Å |
| 219 | N | 94.4 | Very high | 96.6 | Very high | 126 Ų | 126 | 20.1 Ų | 20.1 | 67% | 0.674 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 35.1 | 177.9 | -60.8 | -38 | 0 | 0 | 0 | 114.2 | Q221 | N219-Q221 PolarHBondContact O-N 3.4Š|
| 220 | G | 95.2 | Very high | 96.6 | Very high | 6 Ų | 6 | 18.8 Ų | 18.8 | 6% | 0.062 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 10.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y168 E218 L249 | Y168-G220 PolarHBondContact OH-N 2.84Å; Y168-G220 VanDerWaalsContact OH-N 3.14Å; E218-G220 PolarHBondContact O-N 3.11Å; G220-L249 WeakPolarHBondContact O-CB 3.24Å; G220-L249 PolarHBondContact O-N 3.09Å |
| 221 | Q | 97 | Very high | 96.5 | Very high | 55 Ų | 55 | 22 Ų | 22 | 26% | 0.257 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 124.2 | 173.8 | -60 | -62.5 | -59.7 | 0 | 0 | 109.3 | V217 E218 N219 F223 Q246 V247 | V217-Q221 VanDerWaalsContact CA-O 3.31Å; V217-Q221 WeakPolarHBondContact CA-O 3.3Å; E218-Q221 PolarHBondContact N-O 3.42Å; E218-Q221 WeakPolarHBondContact O-CB 3.47Å; E218-Q221 PolarHBondContact O-N 3.32Å; N219-Q221 PolarHBondContact O-N 3.4Å; Q221-F223 HydrophobicContact CB-CD2 4.44Å; Q221-F223 HydrophobicContact CB-CE2 3.67Å; Q221-F223 HydrophobicContact CB-CZ 4.09Å; Q221-Q246 HydrophobicContact CB-CG 4.33Å; Q221-V247 CarbonylContact C-O 3.54Å; Q221-V247 WeakPolarHBondContact CA-O 3.27Å |
| 222 | L | 98 | Very high | 96.4 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 127.1 | 170.3 | 172.9 | 70.9 | 0 | 0 | 0 | 108.9 | L173 I185 I215 V217 Q246 V247 L249 L252 | L173-L222 HydrophobicContact CD2-CD1 4.46Å; I185-L222 HydrophobicContact CD1-CD2 3.65Å; I215-L222 HydrophobicContact CB-CD1 4Å; I215-L222 HydrophobicContact CD1-CD1 4.48Å; I215-L222 HydrophobicContact CG2-CD1 4.34Å; V217-L222 HydrophobicContact CG2-CB 4.3Å; V217-L222 HydrophobicContact CG2-CD1 3.59Å; L222-Q246 CarbonylContact O-C 3.5Å; L222-Q246 WeakPolarHBondContact O-CA 3.44Å; L222-V247 PolarHBondContact N-O 3.19Å; L222-V247 PolarHBondContact O-N 2.99Å; L222-L249 HydrophobicContact CB-CB 4.34Å; L222-L249 HydrophobicContact CB-CD1 4.48Å; L222-L252 HydrophobicContact CD2-CD1 3.82Å |
| 223 | F | 98.2 | Very high | 96.3 | Very high | 23 Ų | 23 | 24.1 Ų | 24.1 | 10% | 0.101 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 127.6 | 171.5 | -60.4 | -98.9 | 0 | 0 | 0 | 108.4 | L6 L8 I215 H216 Q221 V244 L245 Q246 | L6-F223 HydrophobicContact CD2-CB 3.82Å; L8-F223 HydrophobicContact CD1-CD1 4.44Å; L8-F223 HydrophobicContact CD1-CD2 3.7Å; L8-F223 HydrophobicContact CD1-CE1 4.22Å; L8-F223 HydrophobicContact CD1-CE2 3.45Å; L8-F223 VanDerWaalsContact CD1-CE2 3.45Å; L8-F223 HydrophobicContact CD1-CG 4.2Å; L8-F223 HydrophobicContact CD1-CZ 3.73Å; I215-F223 CarbonylContact C-O 3.59Å; I215-F223 VanDerWaalsContact CA-O 3.24Å; I215-F223 WeakPolarHBondContact CA-O 3.41Å; H216-F223 PolarHBondContact N-O 3.01Å; H216-F223 PolarHBondContact O-N 3.41Å; Q221-F223 HydrophobicContact CB-CD2 4.44Å; Q221-F223 HydrophobicContact CB-CE2 3.67Å; Q221-F223 HydrophobicContact CB-CZ 4.09Å; F223-V244 HydrophobicContact CB-CG1 3.97Å; F223-V244 HydrophobicContact CD1-CG1 4.19Å; F223-L245 CarbonylContact C-O 3.56Å; F223-L245 WeakPolarHBondContact CA-O 3.32Å; F223-Q246 HydrophobicContact CD1-CB 4.15Å; F223-Q246 HydrophobicContact CD1-CG 4.06Å; F223-Q246 HydrophobicContact CE1-CB 4.12Å; F223-Q246 VanDerWaalsContact CE1-CD 3.45Å; F223-Q246 HydrophobicContact CE1-CG 3.67Å; F223-Q246 HydrophobicContact CZ-CG 3.96Å |
| 224 | A | 98 | Very high | 96.3 | Very high | 3 Ų | 3 | 30 Ų | 30 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 124.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L212 I215 F226 L245 | L212-A224 HydrophobicContact CD1-CB 3.87Å; I215-A224 HydrophobicContact CG2-CB 4.12Å; A224-F226 HydrophobicContact CB-CE2 3.83Å; A224-F226 HydrophobicContact CB-CZ 4.21Å; A224-L245 HydrophobicContact CB-CB 4.39Å; A224-L245 PolarHBondContact N-O 3.42Å; A224-L245 PolarHBondContact O-N 2.86Å |
| 225 | L | 97.7 | Very high | 96.2 | Very high | 9 Ų | 9 | 37.7 Ų | 37.7 | 5% | 0.047 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 144.9 | 177.4 | -175 | 66.7 | 0 | 0 | 0 | 110.9 | P3 G5 L6 I15 E213 Q214 V244 | P3-L225 HydrophobicContact CB-CD1 4.01Å; P3-L225 HydrophobicContact CB-CD2 4.11Å; P3-L225 HydrophobicContact CB-CG 4.29Å; P3-L225 HydrophobicContact CG-CD1 4.4Å; G5-L225 VanDerWaalsContact O-CD2 3.29Å; G5-L225 WeakPolarHBondContact O-CD2 3.38Å; L6-L225 HydrophobicContact CB-CB 4.22Å; L6-L225 HydrophobicContact CB-CD2 4.09Å; L6-L225 HydrophobicContact CD2-CB 4.26Å; I15-L225 HydrophobicContact CD1-CD1 4.39Å; I15-L225 HydrophobicContact CG2-CD1 4.09Å; I15-L225 HydrophobicContact CG2-CD2 3.98Å; E213-L225 PolarHBondContact N-O 2.89Å; Q214-L225 WeakPolarHBondContact O-CB 3.38Å; Q214-L225 PolarHBondContact O-N 2.87Å; L225-V244 HydrophobicContact CD1-CG2 3.93Å |
| 226 | F | 97.3 | Very high | 96.1 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 2% | 0.022 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 141.9 | -179.7 | -61 | -98.1 | 0 | 0 | 0 | 112.2 | P209 Y211 L212 A224 S228 M241 L245 | P209-F226 HydrophobicContact CB-CD1 4.31Å; P209-F226 HydrophobicContact CB-CE1 3.85Å; P209-F226 HydrophobicContact CB-CZ 4.48Å; P209-F226 HydrophobicContact CG-CE1 4.18Å; P209-F226 HydrophobicContact CG-CZ 4.33Å; Y211-F226 CarbonylContact O-C 3.58Å; Y211-F226 WeakPolarHBondContact O-CA 3.21Å; Y211-F226 WeakPolarHBondContact O-CB 3.47Å; L212-F226 HydrophobicContact CB-CD1 4.06Å; L212-F226 HydrophobicContact CB-CE1 3.83Å; L212-F226 HydrophobicContact CD1-CD1 4.25Å; L212-F226 HydrophobicContact CD1-CE1 3.73Å; L212-F226 HydrophobicContact CD1-CE2 4.25Å; L212-F226 HydrophobicContact CD1-CZ 3.72Å; L212-F226 HydrophobicContact CG-CE1 4.38Å; A224-F226 HydrophobicContact CB-CE2 3.83Å; A224-F226 HydrophobicContact CB-CZ 4.21Å; F226-S228 VanDerWaalsContact C-N 3.27Å; F226-S228 PolarHBondContact O-N 2.81Å; F226-M241 HydrophobicContact CB-CB 3.65Å; F226-M241 HydrophobicContact CB-CG 4.15Å; F226-M241 HydrophobicContact CD1-CB 4.47Å; F226-M241 HydrophobicContact CD1-CG 4.04Å; F226-M241 HydrophobicContact CD2-CB 3.71Å; F226-M241 HydrophobicContact CD2-CE 4.28Å; F226-M241 HydrophobicContact CD2-CG 3.8Å; F226-M241 HydrophobicContact CE1-CG 4.4Å; F226-M241 HydrophobicContact CE2-CE 4.02Å; F226-M241 HydrophobicContact CE2-CG 4.19Å; F226-M241 HydrophobicContact CG-CB 3.71Å; F226-M241 HydrophobicContact CG-CG 3.73Å; F226-M241 HydrophobicContact CZ-CG 4.48Å; F226-L245 HydrophobicContact CE2-CB 4.06Å; F226-L245 HydrophobicContact CE2-CD2 4.44Å |
| 227 | E | 96 | Very high | 95.9 | Very high | 13 Ų | 13 | 42.1 Ų | 42.1 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -77.2 | -14.4 | 173.4 | -51.4 | -159.4 | 129.1 | 0 | 0 | 112.8 | T2 P3 Y18 Y211 E213 G229 A230 Y233 | T2-E227 HydrophobicContact CG2-CB 3.76Å; T2-E227 HydrophobicContact CG2-CG 3.74Å; T2-E227 WeakPolarHBondContact CG2-OE1 3.29Å; P3-E227 WeakPolarHBondContact O-CG 3.47Å; Y18-E227 WeakPolarHBondContact CE1-OE1 3.33Å; Y18-E227 PolarHBondContact OH-OE1 3.33Å; Y211-E227 PolarHBondContact O-N 3.14Å; E213-E227 HydrophobicContact CG-CB 4.49Å; E213-E227 HydrophobicContact CG-CG 3.26Å; E227-G229 PolarHBondContact O-N 3.31Å; E227-A230 VanDerWaalsContact O-CB 3.28Å; E227-A230 WeakPolarHBondContact O-CB 3.26Å; E227-A230 PolarHBondContact O-N 3.43Å; E227-Y233 HydrophobicContact CB-CD2 3.74Å; E227-Y233 HydrophobicContact CB-CE2 4.02Å; E227-Y233 HydrophobicContact CB-CG 4.41Å; E227-Y233 WeakPolarHBondContact OE2-CE2 3.38Å; E227-Y233 PolarHBondContact OE2-OH 3.13Å |
| 228 | S | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -61.5 | -21.5 | -170 | 60.2 | 0 | 0 | 0 | 0 | 113.7 | F226 A230 R234 Y239 M241 | F226-S228 VanDerWaalsContact C-N 3.27Å; F226-S228 PolarHBondContact O-N 2.81Å; S228-A230 VanDerWaalsContact C-N 3.33Å; S228-R234 WeakPolarHBondContact O-CA 3.5Å; S228-R234 WeakPolarHBondContact O-CB 3.33Å; S228-R234 PolarHBondContact O-N 2.65Å; S228-Y239 PolarHBondContact OG-O 2.93Å; S228-M241 WeakPolarHBondContact OG-CB 3.47Å; S228-M241 PolarHBondContact OG-N 2.95Å |
| 229 | G | 95.2 | Very high | 95.5 | Very high | 27 Ų | 27 | 52.1 Ų | 52.1 | 28% | 0.278 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -70.4 | -22.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E227 M241 | E227-G229 PolarHBondContact O-N 3.31Å; G229-M241 VanDerWaalsContact CA-O 3.24Å; G229-M241 WeakPolarHBondContact CA-O 3.12Å; G229-M241 PolarHBondContact N-O 2.98Å |
| 230 | A | 95.7 | Very high | 95.6 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 6% | 0.058 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -72.2 | 151 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T2 E227 S228 A232 Y233 R234 | T2-A230 HydrophobicContact CG2-CB 4.12Å; E227-A230 VanDerWaalsContact O-CB 3.28Å; E227-A230 WeakPolarHBondContact O-CB 3.26Å; E227-A230 PolarHBondContact O-N 3.43Å; S228-A230 VanDerWaalsContact C-N 3.33Å; A230-A232 PolarHBondContact O-N 3.09Å; A230-A232 VanDerWaalsContact O-N 3.1Å; A230-Y233 HydrophobicContact CB-CD2 4.19Å; A230-Y233 PolarHBondContact O-N 2.84Å; A230-R234 WeakPolarHBondContact O-CB 3.49Å; A230-R234 PolarHBondContact O-N 2.83Å |
| 231 | A | 94.8 | Very high | 95.6 | Very high | 71 Ų | 71 | 50.2 Ų | 50.2 | 59% | 0.587 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -33.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y233 | A231-Y233 VanDerWaalsContact C-N 3.29Å; A231-Y233 PolarHBondContact O-N 2.86Å |
| 232 | A | 93.6 | Very high | 95.5 | Very high | 29 Ų | 29 | 55.6 Ų | 55.6 | 24% | 0.24 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -19.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | H20 A230 K236 | H20-A232 HydrophobicContact CB-CB 4.22Å; H20-A232 VanDerWaalsContact CD2-CB 3.49Å; H20-A232 WeakPolarHBondContact CD2-CB 3.42Å; A230-A232 PolarHBondContact O-N 3.09Å; A230-A232 VanDerWaalsContact O-N 3.1Å; A232-K236 WeakPolarHBondContact O-CE 3.33Å; A232-K236 PolarHBondContact O-NZ 3.22Å |
| 233 | Y | 95 | Very high | 95.3 | Very high | 29 Ų | 29 | 61.6 Ų | 61.6 | 11% | 0.114 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | -23.4 | -172.1 | -56 | -71.4 | 0 | 0 | 0 | 114.3 | T2 Y18 H20 Y211 E227 A230 A231 Q235 K236 | T2-Y233 HydrophobicContact CG2-CD2 4.07Å; T2-Y233 HydrophobicContact CG2-CE2 3.55Å; Y18-Y233 PolarHBondContact OH-OH 2.96Å; H20-Y233 AromaticContact CE1-CZ 3.87Å; H20-Y233 PolarHBondContact CE1-OH 2.95Å; H20-Y233 AromaticContact ND1-CZ 3.96Å; H20-Y233 PolarHBondContact ND1-OH 3.03Å; Y211-Y233 HydrophobicContact CD1-CD1 4.03Å; Y211-Y233 HydrophobicContact CD1-CG 4.3Å; Y211-Y233 AromaticContact CE1-CD1 3.54Å; Y211-Y233 HydrophobicContact CE1-CD1 3.54Å; Y211-Y233 HydrophobicContact CE1-CE1 4.16Å; Y211-Y233 HydrophobicContact CE1-CG 4.16Å; E227-Y233 HydrophobicContact CB-CD2 3.74Å; E227-Y233 HydrophobicContact CB-CE2 4.02Å; E227-Y233 HydrophobicContact CB-CG 4.41Å; E227-Y233 WeakPolarHBondContact OE2-CE2 3.38Å; E227-Y233 PolarHBondContact OE2-OH 3.13Å; A230-Y233 HydrophobicContact CB-CD2 4.19Å; A230-Y233 PolarHBondContact O-N 2.84Å; A231-Y233 VanDerWaalsContact C-N 3.29Å; A231-Y233 PolarHBondContact O-N 2.86Å; Y233-Q235 PolarHBondContact O-N 2.71Å; Y233-K236 HydrophobicContact CD1-CD 4.15Å; Y233-K236 WeakPolarHBondContact O-CB 3.15Å; Y233-K236 PolarHBondContact O-N 2.81Å |
| 234 | R | 94.3 | Very high | 95.2 | Very high | 131 Ų | 131 | 62 Ų | 62 | 49% | 0.494 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -18.1 | -175.6 | 69.5 | -178 | 177.9 | 176.4 | 0.1 | 116.5 | S228 A230 V240 | S228-R234 WeakPolarHBondContact O-CA 3.5Å; S228-R234 WeakPolarHBondContact O-CB 3.33Å; S228-R234 PolarHBondContact O-N 2.65Å; A230-R234 WeakPolarHBondContact O-CB 3.49Å; A230-R234 PolarHBondContact O-N 2.83Å; R234-V240 HydrophobicContact CB-CG1 4.24Å; R234-V240 HydrophobicContact CB-CG2 4.33Å; R234-V240 VanDerWaalsContact O-CG2 3.32Å; R234-V240 WeakPolarHBondContact O-CG2 3.38Å |
| 235 | Q | 95.1 | Very high | 95.2 | Very high | 164 Ų | 164 | 65.2 Ų | 65.2 | 77% | 0.766 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -5.3 | 176.6 | -60.4 | -58 | -35.5 | 0 | 0 | 112.9 | Y233 | Y233-Q235 PolarHBondContact O-N 2.71Š|
| 236 | K | 95.4 | Very high | 95.1 | Very high | 109 Ų | 109 | 70 Ų | 70 | 47% | 0.474 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -94.5 | -6.8 | -176.2 | -59.9 | 179.3 | 179.6 | 160.4 | 0 | 112.9 | T180 Y211 A232 Y233 | T180-K236 HydrophobicContact CG2-CB 4.17Å; T180-K236 WeakPolarHBondContact CG2-O 3.35Å; Y211-K236 VanDerWaalsContact OH-CB 3.26Å; Y211-K236 WeakPolarHBondContact OH-CB 3.48Å; A232-K236 WeakPolarHBondContact O-CE 3.33Å; A232-K236 PolarHBondContact O-NZ 3.22Å; Y233-K236 HydrophobicContact CD1-CD 4.15Å; Y233-K236 WeakPolarHBondContact O-CB 3.15Å; Y233-K236 PolarHBondContact O-N 2.81Å |
| 237 | T | 93 | Very high | 95.1 | Very high | 14 Ų | 14 | 71.8 Ų | 71.8 | 9% | 0.086 | 37% | 0.371 | C | S | . | . | trans | -146.5 | 144.9 | -179.6 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | P210 Y211 Y239 | P210-T237 HydrophobicContact CG-CG2 4.2Å; P210-T237 WeakPolarHBondContact CG-OG1 3.34Å; Y211-T237 HydrophobicContact CD2-CG2 3.9Å; Y211-T237 HydrophobicContact CE2-CG2 3.68Å; T237-Y239 VanDerWaalsContact C-N 3.26Å; T237-Y239 PolarHBondContact OG1-N 3.49Å | ||
| 238 | P | 91.8 | Very high | 95.1 | Very high | 117 Ų | 117 | 73.2 Ų | 73.2 | 76% | 0.76 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -73.5 | -17.8 | 169.1 | 31.2 | -34.7 | 0 | 0 | 0 | 112.9 | V240 | P238-V240 PolarHBondContact O-N 2.92Š|
| 239 | Y | 93.8 | Very high | 95.1 | Very high | 152 Ų | 152 | 73.2 Ų | 73.2 | 60% | 0.596 | 38% | 0.378 | S | S | * | . | trans | -95.6 | 75.4 | -178.9 | -56.4 | -75.2 | 0 | 0 | 0 | 110.8 | S228 T237 | S228-Y239 PolarHBondContact OG-O 2.93Å; T237-Y239 VanDerWaalsContact C-N 3.26Å; T237-Y239 PolarHBondContact OG1-N 3.49Å | ||
| 240 | V | 95.9 | Very high | 94.8 | Very high | 50 Ų | 50 | 74.8 Ų | 74.8 | 30% | 0.303 | 38% | 0.379 | S | S | . | . | trans | -85.6 | 111.1 | -179.8 | 178.7 | 0 | 0 | 0 | 0 | 110.1 | R234 P238 K242 | R234-V240 HydrophobicContact CB-CG1 4.24Å; R234-V240 HydrophobicContact CB-CG2 4.33Å; R234-V240 VanDerWaalsContact O-CG2 3.32Å; R234-V240 WeakPolarHBondContact O-CG2 3.38Å; P238-V240 PolarHBondContact O-N 2.92Å; V240-K242 HydrophobicContact CG1-CG 3.98Å | ||
| 241 | M | 96.1 | Very high | 94.7 | Very high | 42 Ų | 42 | 82.3 Ų | 82.3 | 21% | 0.207 | 41% | 0.411 | C | S | . | . | trans | -96.3 | 111.7 | 176.2 | -58.2 | -59.4 | -69.9 | 0 | 0 | 108.9 | P209 F226 S228 G229 L245 | P209-M241 HydrophobicContact CB-CG 4.13Å; P209-M241 HydrophobicContact CB-SD 4.45Å; P209-M241 HydrophobicContact CG-CG 4.33Å; P209-M241 HydrophobicContact CG-SD 4.09Å; F226-M241 HydrophobicContact CB-CB 3.65Å; F226-M241 HydrophobicContact CB-CG 4.15Å; F226-M241 HydrophobicContact CD1-CB 4.47Å; F226-M241 HydrophobicContact CD1-CG 4.04Å; F226-M241 HydrophobicContact CD2-CB 3.71Å; F226-M241 HydrophobicContact CD2-CE 4.28Å; F226-M241 HydrophobicContact CD2-CG 3.8Å; F226-M241 HydrophobicContact CE1-CG 4.4Å; F226-M241 HydrophobicContact CE2-CE 4.02Å; F226-M241 HydrophobicContact CE2-CG 4.19Å; F226-M241 HydrophobicContact CG-CB 3.71Å; F226-M241 HydrophobicContact CG-CG 3.73Å; F226-M241 HydrophobicContact CZ-CG 4.48Å; S228-M241 WeakPolarHBondContact OG-CB 3.47Å; S228-M241 PolarHBondContact OG-N 2.95Å; G229-M241 VanDerWaalsContact CA-O 3.24Å; G229-M241 WeakPolarHBondContact CA-O 3.12Å; G229-M241 PolarHBondContact N-O 2.98Å; M241-L245 HydrophobicContact CE-CB 4.03Å; M241-L245 HydrophobicContact CE-CD1 4.4Å; M241-L245 HydrophobicContact CE-CD2 4.2Å; M241-L245 HydrophobicContact CE-CG 4.43Å | ||
| 242 | K | 94.1 | Very high | 94.6 | Very high | 168 Ų | 168 | 81.3 Ų | 81.3 | 73% | 0.73 | 40% | 0.395 | S | S | * | . | trans | -97.8 | -18.9 | -177.3 | -63 | -178.1 | -175.7 | 170.1 | 0 | 113.6 | V240 | V240-K242 HydrophobicContact CG1-CG 3.98Š| ||
| 243 | D | 94.3 | Very high | 94.6 | Very high | 131 Ų | 131 | 80.1 Ų | 80.1 | 70% | 0.701 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -121.3 | 157.3 | -176 | -54.8 | -66.9 | 0 | 0 | 0 | 109.4 | L245 | D243-L245 PolarHBondContact O-N 3.46Š|
| 244 | V | 96.9 | Very high | 94.1 | Very high | 32 Ų | 32 | 80 Ų | 80 | 19% | 0.194 | 39% | 0.393 | C | S | . | . | trans | -64.6 | 124.1 | 168.5 | 176 | 0 | 0 | 0 | 0 | 108.1 | L6 L13 I15 F223 L225 | L6-V244 HydrophobicContact CD1-CG1 4.4Å; L6-V244 HydrophobicContact CD1-CG2 3.88Å; L6-V244 HydrophobicContact CD2-CG1 4.21Å; L13-V244 HydrophobicContact CD2-CG2 4.15Å; I15-V244 HydrophobicContact CD1-CG2 3.72Å; I15-V244 HydrophobicContact CG1-CG2 4.49Å; F223-V244 HydrophobicContact CB-CG1 3.97Å; F223-V244 HydrophobicContact CD1-CG1 4.19Å; L225-V244 HydrophobicContact CD1-CG2 3.93Å | ||
| 245 | L | 96.4 | Very high | 92.6 | Very high | 69 Ų | 69 | 83.4 Ų | 83.4 | 36% | 0.361 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 121.9 | 176.6 | 179.5 | 66.6 | 0 | 0 | 0 | 109 | F223 A224 F226 M241 D243 V247 | F223-L245 CarbonylContact C-O 3.56Å; F223-L245 WeakPolarHBondContact CA-O 3.32Å; A224-L245 HydrophobicContact CB-CB 4.39Å; A224-L245 PolarHBondContact N-O 3.42Å; A224-L245 PolarHBondContact O-N 2.86Å; F226-L245 HydrophobicContact CE2-CB 4.06Å; F226-L245 HydrophobicContact CE2-CD2 4.44Å; M241-L245 HydrophobicContact CE-CB 4.03Å; M241-L245 HydrophobicContact CE-CD1 4.4Å; M241-L245 HydrophobicContact CE-CD2 4.2Å; M241-L245 HydrophobicContact CE-CG 4.43Å; D243-L245 PolarHBondContact O-N 3.46Å; L245-V247 HydrophobicContact CD1-CG2 4.16Å; L245-V247 HydrophobicContact CD2-CG2 3.88Å; L245-V247 HydrophobicContact CG-CG2 3.66Å |
| 246 | Q | 96.4 | Very high | 90.9 | Very high | 110 Ų | 110 | 83.1 Ų | 83.1 | 51% | 0.514 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 126.7 | 172.9 | -175.4 | 179.7 | -6.2 | 0 | 0 | 110.1 | Q221 L222 F223 | Q221-Q246 HydrophobicContact CB-CG 4.33Å; L222-Q246 CarbonylContact O-C 3.5Å; L222-Q246 WeakPolarHBondContact O-CA 3.44Å; F223-Q246 HydrophobicContact CD1-CB 4.15Å; F223-Q246 HydrophobicContact CD1-CG 4.06Å; F223-Q246 HydrophobicContact CE1-CB 4.12Å; F223-Q246 VanDerWaalsContact CE1-CD 3.45Å; F223-Q246 HydrophobicContact CE1-CG 3.67Å; F223-Q246 HydrophobicContact CZ-CG 3.96Å |
| 247 | V | 96.3 | Very high | 89.4 | Confident | 43 Ų | 43 | 80.4 Ų | 80.4 | 26% | 0.261 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 143 | -178.4 | -163.7 | 0 | 0 | 0 | 0 | 110.9 | Q221 L222 L245 L249 L252 | Q221-V247 CarbonylContact C-O 3.54Å; Q221-V247 WeakPolarHBondContact CA-O 3.27Å; L222-V247 PolarHBondContact N-O 3.19Å; L222-V247 PolarHBondContact O-N 2.99Å; L245-V247 HydrophobicContact CD1-CG2 4.16Å; L245-V247 HydrophobicContact CD2-CG2 3.88Å; L245-V247 HydrophobicContact CG-CG2 3.66Å; V247-L249 PolarHBondContact O-N 3.27Å; V247-L249 VanDerWaalsContact O-N 3.12Å; V247-L252 HydrophobicContact CB-CD1 3.77Å; V247-L252 HydrophobicContact CB-CG 4.42Å; V247-L252 HydrophobicContact CG1-CD1 3.53Å; V247-L252 HydrophobicContact CG1-CD2 4.07Å; V247-L252 HydrophobicContact CG1-CG 3.63Å; V247-L252 HydrophobicContact CG2-CD1 4.48Å |
| 248 | D | 96.5 | Very high | 87.6 | Confident | 42 Ų | 42 | 84.8 Ų | 84.8 | 23% | 0.225 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 108 | 168.8 | -178.7 | -30.3 | 0 | 0 | 0 | 110.2 | M250 K251 L252 | D248-M250 VanDerWaalsContact C-N 3.29Å; D248-M250 PolarHBondContact O-N 3.29Å; D248-M250 WeakPolarHBondContact OD1-CB 3.42Å; D248-M250 PolarHBondContact OD1-N 3.15Å; D248-K251 HydrophobicContact CB-CB 4.15Å; D248-K251 HydrophobicContact CB-CD 3.95Å; D248-K251 HydrophobicContact CB-CG 4.16Å; D248-K251 PolarHBondContact O-N 3.2Å; D248-K251 PolarHBondContact OD1-N 3.24Å; D248-K251 WeakPolarHBondContact OD2-CD 3.3Å; D248-K251 WeakPolarHBondContact OD2-CE 3.08Å; D248-K251 WeakPolarHBondContact OD2-CG 3.35Å; D248-K251 IonicContact OD2-NZ 2.53Å; D248-K251 PolarHBondContact OD2-NZ 2.66Å; D248-L252 PolarHBondContact O-N 3Å; D248-L252 VanDerWaalsContact O-N 3.11Å |
| 249 | L | 95.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 83.2 Ų | 83.2 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.5 | -37 | -177.6 | 179.4 | 61.7 | 0 | 0 | 0 | 111.1 | Y168 L173 V217 G220 L222 V247 K251 L252 L253 | Y168-L249 HydrophobicContact CD1-CD2 4.04Å; L173-L249 HydrophobicContact CD2-CD1 3.87Å; L173-L249 HydrophobicContact CD2-CD2 4.23Å; V217-L249 HydrophobicContact CG1-CD2 3.61Å; V217-L249 HydrophobicContact CG2-CD2 4.05Å; G220-L249 WeakPolarHBondContact O-CB 3.24Å; G220-L249 PolarHBondContact O-N 3.09Å; L222-L249 HydrophobicContact CB-CB 4.34Å; L222-L249 HydrophobicContact CB-CD1 4.48Å; V247-L249 PolarHBondContact O-N 3.27Å; V247-L249 VanDerWaalsContact O-N 3.12Å; L249-K251 VanDerWaalsContact C-N 3.31Å; L249-K251 PolarHBondContact O-N 2.86Å; L249-L252 CarbonylContact O-C 3.59Å; L249-L252 WeakPolarHBondContact O-CB 3.37Å; L249-L252 PolarHBondContact O-N 3.43Å; L249-L252 VanDerWaalsContact O-N 3.09Å; L249-L253 HydrophobicContact CD1-CD1 4.13Å; L249-L253 HydrophobicContact CD1-CD2 4.19Å; L249-L253 HydrophobicContact CD1-CG 3.91Å; L249-L253 HydrophobicContact CD2-CD1 4.36Å; L249-L253 HydrophobicContact CG-CD1 3.9Å; L249-L253 HydrophobicContact CG-CG 4.09Å; L249-L253 WeakPolarHBondContact O-CG 3.43Å; L249-L253 PolarHBondContact O-N 2.72Å |
| 250 | M | 90.6 | Very high | 87.1 | Confident | 60 Ų | 60 | 79.6 Ų | 79.6 | 30% | 0.296 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.5 | -39.2 | -179.5 | -60.1 | -51 | -56.4 | 0 | 0 | 111.6 | D248 G254 L258 | D248-M250 VanDerWaalsContact C-N 3.29Å; D248-M250 PolarHBondContact O-N 3.29Å; D248-M250 WeakPolarHBondContact OD1-CB 3.42Å; D248-M250 PolarHBondContact OD1-N 3.15Å; M250-G254 CarbonylContact O-C 3.5Å; M250-G254 PolarHBondContact O-N 3.27Å; M250-L258 HydrophobicContact CE-CB 4.01Å; M250-L258 HydrophobicContact CE-CD1 3.74Å; M250-L258 HydrophobicContact CE-CG 4.26Å; M250-L258 HydrophobicContact SD-CD1 3.51Å; M250-L258 VanDerWaalsContact SD-CD1 3.51Å |
| 251 | K | 93.2 | Very high | 86.6 | Confident | 165 Ų | 165 | 81.2 Ų | 81.2 | 72% | 0.717 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66 | -38.9 | 172.6 | -71.8 | 177.9 | -170.5 | 159.3 | 0 | 111.9 | D248 L249 G254 | D248-K251 HydrophobicContact CB-CB 4.15Å; D248-K251 HydrophobicContact CB-CD 3.95Å; D248-K251 HydrophobicContact CB-CG 4.16Å; D248-K251 PolarHBondContact O-N 3.2Å; D248-K251 PolarHBondContact OD1-N 3.24Å; D248-K251 WeakPolarHBondContact OD2-CD 3.3Å; D248-K251 WeakPolarHBondContact OD2-CE 3.08Å; D248-K251 WeakPolarHBondContact OD2-CG 3.35Å; D248-K251 IonicContact OD2-NZ 2.53Å; D248-K251 PolarHBondContact OD2-NZ 2.66Å; L249-K251 VanDerWaalsContact C-N 3.31Å; L249-K251 PolarHBondContact O-N 2.86Å; K251-G254 PolarHBondContact O-N 2.78Å |
| 252 | L | 92.6 | Very high | 86 | Confident | 50 Ų | 50 | 83.5 Ų | 83.5 | 26% | 0.262 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 176.3 | -77.4 | 175.1 | 0 | 0 | 0 | 112.4 | K204 I206 L222 V247 D248 L249 | K204-L252 WeakPolarHBondContact CE-O 3.17Å; K204-L252 PolarHBondContact NZ-O 3.3Å; I206-L252 HydrophobicContact CD1-CB 4.17Å; L222-L252 HydrophobicContact CD2-CD1 3.82Å; V247-L252 HydrophobicContact CB-CD1 3.77Å; V247-L252 HydrophobicContact CB-CG 4.42Å; V247-L252 HydrophobicContact CG1-CD1 3.53Å; V247-L252 HydrophobicContact CG1-CD2 4.07Å; V247-L252 HydrophobicContact CG1-CG 3.63Å; V247-L252 HydrophobicContact CG2-CD1 4.48Å; D248-L252 PolarHBondContact O-N 3Å; D248-L252 VanDerWaalsContact O-N 3.11Å; L249-L252 CarbonylContact O-C 3.59Å; L249-L252 WeakPolarHBondContact O-CB 3.37Å; L249-L252 PolarHBondContact O-N 3.43Å; L249-L252 VanDerWaalsContact O-N 3.09Å |
| 253 | L | 92.3 | Very high | 85.5 | Confident | 4 Ų | 4 | 78.3 Ų | 78.3 | 2% | 0.021 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -72.2 | -35.2 | 178.1 | -62.9 | 179.9 | 0 | 0 | 0 | 111.5 | L171 V187 K204 L249 M257 | L171-L253 HydrophobicContact CD1-CD1 3.6Å; V187-L253 HydrophobicContact CB-CD2 4.24Å; V187-L253 HydrophobicContact CG1-CD2 3.87Å; V187-L253 HydrophobicContact CG2-CD2 3.85Å; K204-L253 HydrophobicContact CB-CD2 4.5Å; K204-L253 HydrophobicContact CD-CD2 4.28Å; K204-L253 PolarHBondContact NZ-O 3.12Å; L249-L253 HydrophobicContact CD1-CD1 4.13Å; L249-L253 HydrophobicContact CD1-CD2 4.19Å; L249-L253 HydrophobicContact CD1-CG 3.91Å; L249-L253 HydrophobicContact CD2-CD1 4.36Å; L249-L253 HydrophobicContact CG-CD1 3.9Å; L249-L253 HydrophobicContact CG-CG 4.09Å; L249-L253 WeakPolarHBondContact O-CG 3.43Å; L249-L253 PolarHBondContact O-N 2.72Å; L253-M257 HydrophobicContact CB-CB 4Å; L253-M257 HydrophobicContact CB-SD 4.13Å; L253-M257 HydrophobicContact CD2-CE 4.21Å; L253-M257 VanDerWaalsContact O-SD 3.35Å |
| 254 | G | 85.1 | Confident | 84.9 | Confident | 28 Ų | 28 | 74.7 Ų | 74.7 | 29% | 0.289 | 38% | 0.378 | S | S | . | . | trans | 98.4 | 149.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | M250 K251 N256 M257 | M250-G254 CarbonylContact O-C 3.5Å; M250-G254 PolarHBondContact O-N 3.27Å; K251-G254 PolarHBondContact O-N 2.78Å; G254-N256 PolarHBondContact O-N 3.31Å; G254-M257 PolarHBondContact O-N 2.81Å | ||
| 255 | K | 62 | Low | 84.1 | Confident | 201 Ų | 201 | 77.8 Ų | 77.8 | 87% | 0.874 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -9.2 | -164.1 | -72.6 | -175.7 | 175.9 | -178.9 | 0 | 116.8 | ||
| 256 | N | 61.2 | Low | 83.1 | Confident | 159 Ų | 159 | 78.5 Ų | 78.5 | 85% | 0.85 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.4 | 17.6 | -169.4 | -62.5 | -4.5 | 0 | 0 | 0 | 114.2 | G254 | G254-N256 PolarHBondContact O-N 3.31Š|
| 257 | M | 62.3 | Low | 82 | Confident | 51 Ų | 51 | 75.8 Ų | 75.8 | 25% | 0.251 | 38% | 0.384 | S | S | . | . | trans | -104.1 | 10.3 | -171.8 | -88.7 | -171.1 | 67.4 | 0 | 0 | 116.2 | L203 K204 L253 G254 | L203-M257 HydrophobicContact CB-CE 3.33Å; L203-M257 HydrophobicContact CD1-CE 3.75Å; L203-M257 HydrophobicContact CG-CE 4.19Å; K204-M257 HydrophobicContact CB-CE 4.26Å; K204-M257 HydrophobicContact CD-SD 4.37Å; L253-M257 HydrophobicContact CB-CB 4Å; L253-M257 HydrophobicContact CB-SD 4.13Å; L253-M257 HydrophobicContact CD2-CE 4.21Å; L253-M257 VanDerWaalsContact O-SD 3.35Å; G254-M257 PolarHBondContact O-N 2.81Å | ||
| 258 | L | 56.3 | Low | 80.7 | Confident | 107 Ų | 107 | 78.8 Ų | 78.8 | 56% | 0.56 | 40% | 0.395 | S | S | * | . | trans | -141.9 | 0 | 170.6 | -80.6 | 170.1 | 0 | 0 | 0 | 110.8 | Y168 K169 N170 L171 M250 | Y168-L258 HydrophobicContact CE1-CD1 4.33Å; K169-L258 HydrophobicContact CD-CD1 4.32Å; K169-L258 HydrophobicContact CD-CD2 4.45Å; N170-L258 WeakPolarHBondContact OD1-CD2 3.45Å; L171-L258 HydrophobicContact CD1-CD1 4.2Å; L171-L258 HydrophobicContact CD1-CD2 4.01Å; L171-L258 HydrophobicContact CD1-CG 4.22Å; L171-L258 HydrophobicContact CD2-CD2 4.32Å; L171-L258 HydrophobicContact CG-CD2 4.02Å; M250-L258 HydrophobicContact CE-CB 4.01Å; M250-L258 HydrophobicContact CE-CD1 3.74Å; M250-L258 HydrophobicContact CE-CG 4.26Å; M250-L258 HydrophobicContact SD-CD1 3.51Å; M250-L258 VanDerWaalsContact SD-CD1 3.51Å |
Retrieved 258 of 258 residues in 102.3 ms
(Link to these results)