| 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 | 68.7 | Low | 93.3 | Very high | 6 Ų | 6 | 11.6 Ų | 11.6 | 3% | 0.03 | 6% | 0.056 | C | C | . | . | 0 | 133.7 | 0 | -173.7 | -170.9 | -70.2 | 0 | 0 | 105.7 | R33 P214 E445 S697 T699 | M1-R33 CarbonylContact C-O 3.55Å; M1-R33 CarbonylContact O-C 3.45Å; M1-R33 WeakPolarHBondContact O-CA 3.19Å; M1-R33 WeakPolarHBondContact O-CB 3.32Å; M1-R33 PolarHBondContact SD-NH1 3.12Å; M1-P214 HydrophobicContact CE-CG 3.73Å; M1-P214 HydrophobicContact SD-CG 4.4Å; M1-E445 HydrophobicContact CE-CB 4.19Å; M1-S697 PolarHBondContact N-O 2.87Å; M1-T699 HydrophobicContact CB-CG2 4.03Å; M1-T699 WeakPolarHBondContact CB-OG1 3.33Å; M1-T699 HydrophobicContact CE-CG2 3.26Å; M1-T699 WeakPolarHBondContact CE-OG1 3.37Å; M1-T699 HydrophobicContact CG-CG2 4.48Å; M1-T699 VanDerWaalsContact CG-OG1 3.28Å; M1-T699 WeakPolarHBondContact CG-OG1 3.47Å | |||
| 2 | C | 88.9 | Confident | 93.3 | Very high | 18 Ų | 18 | 12.9 Ų | 12.9 | 12% | 0.122 | 7% | 0.065 | C | C | . | . | trans | -66.9 | 176.1 | 171.7 | -62.1 | 0 | 0 | 0 | 0 | 112.2 | H101 T102 W104 N131 | C2-H101 WeakPolarHBondContact CB-NE2 3.31Å; C2-T102 CarbonylContact C-O 3.51Å; C2-T102 WeakPolarHBondContact CA-O 3.42Å; C2-T102 WeakPolarHBondContact CB-O 3.29Å; C2-W104 PolarHBondContact SG-N 3.15Å; C2-W104 PolarHBondContact SG-O 3.1Å; C2-W104 VanDerWaalsContact SG-O 3.4Å; C2-N131 WeakPolarHBondContact CB-OD1 3.44Å; C2-N131 PolarHBondContact O-ND2 3.32Å | ||
| 3 | G | 94.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 125.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | H101 T102 | G3-H101 CarbonylContact O-C 3.51Å; G3-H101 VanDerWaalsContact O-CA 3.26Å; G3-H101 WeakPolarHBondContact O-CA 3.5Å; G3-H101 PolarHBondContact O-CD2 3.4Å; G3-T102 WeakPolarHBondContact CA-OG1 3.47Å; G3-T102 PolarHBondContact N-O 3.49Å; G3-T102 PolarHBondContact N-OG1 2.97Å; G3-T102 PolarHBondContact O-N 3.36Å |
| 4 | I | 97.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 135.4 | 168 | -71.4 | 165.7 | 0 | 0 | 0 | 108.6 | L30 V129 N131 A194 A196 M215 A282 S283 | I4-L30 VanDerWaalsContact O-CD1 3.24Å; I4-L30 WeakPolarHBondContact O-CD1 3.42Å; I4-V129 HydrophobicContact CB-CG2 4.42Å; I4-V129 HydrophobicContact CD1-CG2 4.37Å; I4-V129 HydrophobicContact CG1-CB 4.32Å; I4-V129 HydrophobicContact CG1-CG2 3.93Å; I4-V129 HydrophobicContact CG2-CG2 3.77Å; I4-N131 HydrophobicContact CD1-CB 3.97Å; I4-N131 WeakPolarHBondContact CG1-OD1 3.33Å; I4-A194 HydrophobicContact CD1-CB 4.33Å; I4-A194 WeakPolarHBondContact CD1-O 3.32Å; I4-A196 HydrophobicContact CG2-CB 3.97Å; I4-M215 HydrophobicContact CB-CE 4.38Å; I4-M215 HydrophobicContact CD1-CE 3.78Å; I4-M215 HydrophobicContact CG2-CE 3.98Å; I4-M215 HydrophobicContact CG2-SD 4.49Å; I4-A282 VanDerWaalsContact O-CA 3.24Å; I4-A282 WeakPolarHBondContact O-CA 3.45Å; I4-S283 PolarHBondContact N-OG 3.14Å; I4-S283 PolarHBondContact O-N 2.63Å; I4-S283 VanDerWaalsContact O-N 3.07Å |
| 5 | F | 98.4 | Very high | 93 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 132.5 | 165.7 | -175.5 | -102.9 | 0 | 0 | 0 | 110 | T22 L23 L27 L30 A100 F280 F281 A282 A287 L288 | F5-T22 HydrophobicContact CE1-CG2 4.01Å; F5-T22 VanDerWaalsContact CE1-O 3.28Å; F5-T22 WeakPolarHBondContact CE1-O 3.44Å; F5-T22 HydrophobicContact CZ-CG2 4.07Å; F5-L23 HydrophobicContact CD1-CD2 3.85Å; F5-L23 HydrophobicContact CE1-CD2 4.06Å; F5-L27 HydrophobicContact CB-CD2 4.23Å; F5-L30 HydrophobicContact CB-CD1 4.04Å; F5-A100 PolarHBondContact N-O 3.16Å; F5-A100 WeakPolarHBondContact O-CA 3.37Å; F5-A100 PolarHBondContact O-N 3.22Å; F5-A100 VanDerWaalsContact O-O 3.07Å; F5-F280 HydrophobicContact CE2-CD1 4.27Å; F5-F280 AromaticContact CZ-CD1 3.9Å; F5-F280 HydrophobicContact CZ-CD1 3.9Å; F5-F281 CarbonylContact C-O 3.39Å; F5-F281 VanDerWaalsContact CA-O 3.27Å; F5-F281 WeakPolarHBondContact CA-O 3.43Å; F5-A282 HydrophobicContact CD2-CB 4.2Å; F5-A287 HydrophobicContact CD2-CB 3.7Å; F5-A287 HydrophobicContact CE2-CB 4.1Å; F5-A287 VanDerWaalsContact CE2-O 3.31Å; F5-A287 WeakPolarHBondContact CE2-O 3.42Å; F5-L288 HydrophobicContact CE2-CD2 4.12Å |
| 6 | A | 98.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 144.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | G98 I99 A196 F280 F281 | A6-G98 CarbonylContact C-O 3.57Å; A6-G98 WeakPolarHBondContact CA-O 3.43Å; A6-G98 WeakPolarHBondContact CB-O 3.17Å; A6-I99 HydrophobicContact CB-CB 4.33Å; A6-I99 HydrophobicContact CB-CG2 3.8Å; A6-A196 HydrophobicContact CB-CB 4.45Å; A6-F280 CarbonylContact O-C 3.57Å; A6-F280 WeakPolarHBondContact O-CA 3.44Å; A6-F281 HydrophobicContact CB-CB 4.11Å; A6-F281 HydrophobicContact CB-CD2 4.14Å; A6-F281 PolarHBondContact N-O 2.97Å; A6-F281 PolarHBondContact O-N 2.89Å |
| 7 | Y | 98.3 | Very high | 92.4 | Very high | 3 Ų | 3 | 22.8 Ų | 22.8 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 129.3 | -179.4 | 172.1 | -125.9 | 0 | 0 | 0 | 109.4 | N9 I19 T22 V97 G98 E278 F280 | Y7-N9 HydrophobicContact CE1-CB 4.25Å; Y7-N9 HydrophobicContact CE2-CB 4.4Å; Y7-I19 HydrophobicContact CD1-CG1 4.44Å; Y7-I19 HydrophobicContact CD1-CG2 4.31Å; Y7-I19 HydrophobicContact CE1-CG1 4.08Å; Y7-T22 HydrophobicContact CD1-CG2 3.98Å; Y7-T22 HydrophobicContact CD2-CG2 4.14Å; Y7-T22 HydrophobicContact CE1-CG2 4.41Å; Y7-T22 HydrophobicContact CG-CG2 3.81Å; Y7-V97 WeakPolarHBondContact O-CA 3.43Å; Y7-G98 PolarHBondContact N-O 3.28Å; Y7-G98 PolarHBondContact O-N 3.37Å; Y7-E278 HydrophobicContact CE2-CB 4.14Å; Y7-E278 HydrophobicContact CE2-CG 4.3Å; Y7-E278 VanDerWaalsContact CE2-OE1 3.28Å; Y7-E278 WeakPolarHBondContact CE2-OE1 3.36Å; Y7-E278 PolarHBondContact OH-OE1 3.18Å; Y7-F280 AromaticContact CD2-CD1 3.73Å; Y7-F280 HydrophobicContact CD2-CD1 3.73Å; Y7-F280 AromaticContact CD2-CE1 3.35Å; Y7-F280 HydrophobicContact CD2-CE1 3.35Å; Y7-F280 AromaticContact CD2-CZ 3.85Å; Y7-F280 HydrophobicContact CD2-CZ 3.85Å; Y7-F280 HydrophobicContact CE2-CD1 4.39Å; Y7-F280 AromaticContact CE2-CE1 3.59Å; Y7-F280 HydrophobicContact CE2-CE1 3.59Å; Y7-F280 AromaticContact CE2-CZ 3.65Å; Y7-F280 HydrophobicContact CE2-CZ 3.65Å; Y7-F280 HydrophobicContact CG-CE1 4.34Å |
| 8 | L | 97.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 114.3 | 175.1 | -174.9 | 170.4 | 0 | 0 | 0 | 108.6 | H96 V97 C206 E278 F279 V306 | L8-H96 VanDerWaalsContact CA-O 3.26Å; L8-H96 WeakPolarHBondContact CA-O 3.4Å; L8-V97 HydrophobicContact CB-CG2 4.25Å; L8-V97 HydrophobicContact CD1-CG2 3.71Å; L8-V97 HydrophobicContact CG-CG2 3.71Å; L8-C206 HydrophobicContact CD1-CB 3.92Å; L8-E278 CarbonylContact O-C 3.01Å; L8-E278 VanDerWaalsContact O-CA 3.31Å; L8-E278 WeakPolarHBondContact O-CA 3.42Å; L8-F279 HydrophobicContact CB-CB 4.33Å; L8-F279 HydrophobicContact CD2-CD2 4.13Å; L8-F279 PolarHBondContact N-O 2.87Å; L8-F279 PolarHBondContact O-N 3.44Å; L8-V306 HydrophobicContact CD1-CB 3.75Å; L8-V306 HydrophobicContact CD1-CG1 3.5Å; L8-V306 VanDerWaalsContact CD1-CG1 3.5Å; L8-V306 HydrophobicContact CD1-CG2 4.5Å; L8-V306 HydrophobicContact CD2-CG1 4.29Å |
| 9 | N | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 132.6 | 166.9 | 60.8 | -69.6 | 0 | 0 | 0 | 108.9 | Y7 V12 V14 I93 T94 T95 H96 | Y7-N9 HydrophobicContact CE1-CB 4.25Å; Y7-N9 HydrophobicContact CE2-CB 4.4Å; N9-V12 HydrophobicContact CB-CB 4.2Å; N9-V12 PolarHBondContact ND2-O 2.9Å; N9-V14 HydrophobicContact CB-CG2 4.32Å; N9-V14 WeakPolarHBondContact ND2-CG2 3.29Å; N9-I93 PolarHBondContact ND2-O 3.49Å; N9-I93 VanDerWaalsContact ND2-O 3.08Å; N9-T94 PolarHBondContact ND2-O 2.71Å; N9-T95 VanDerWaalsContact O-CA 3.23Å; N9-T95 WeakPolarHBondContact O-CA 3.48Å; N9-H96 PolarHBondContact N-O 3.31Å; N9-H96 PolarHBondContact O-N 3.06Å; N9-H96 WeakPolarHBondContact OD1-CB 3.36Å |
| 10 | Y | 95 | Very high | 92.5 | Very high | 29 Ų | 29 | 23 Ų | 23 | 11% | 0.114 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 119 | 176.9 | -177.1 | -92.8 | 0 | 0 | 0 | 109.9 | V12 T94 T95 R275 I277 N308 G309 | Y10-V12 PolarHBondContact O-N 2.98Å; Y10-V12 VanDerWaalsContact O-N 3.1Å; Y10-T94 CarbonylContact C-O 3.43Å; Y10-T95 HydrophobicContact CD2-CG2 3.77Å; Y10-T95 HydrophobicContact CE2-CG2 4.35Å; Y10-R275 HydrophobicContact CD1-CB 4.5Å; Y10-R275 WeakPolarHBondContact CD1-O 3.4Å; Y10-R275 HydrophobicContact CE1-CB 4.06Å; Y10-I277 HydrophobicContact CD1-CG2 4.31Å; Y10-I277 PolarHBondContact N-O 2.83Å; Y10-I277 PolarHBondContact O-N 3.3Å; Y10-I277 VanDerWaalsContact O-N 3.08Å; Y10-N308 VanDerWaalsContact CE2-C 3.42Å; Y10-N308 PolarHBondContact OH-O 3.02Å; Y10-G309 VanDerWaalsContact CD1-CA 3.46Å; Y10-G309 VanDerWaalsContact CG-CA 3.48Å |
| 11 | Q | 92.9 | Very high | 92.6 | Very high | 72 Ų | 72 | 25.1 Ų | 25.1 | 34% | 0.336 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.6 | 21 | -169.7 | -60.4 | -173.4 | 4.2 | 0 | 0 | 114.3 | P13 T94 E276 | Q11-P13 WeakPolarHBondContact O-CD 3.49Å; Q11-T94 WeakPolarHBondContact CA-O 3.46Å; Q11-T94 PolarHBondContact N-O 3.42Å; Q11-E276 HydrophobicContact CB-CG 4.42Å; Q11-E276 WeakPolarHBondContact O-CG 3.49Å |
| 12 | V | 93.6 | Very high | 94 | Very high | 27 Ų | 27 | 25.6 Ų | 25.6 | 16% | 0.164 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 103.9 | 173.4 | -179.8 | 0 | 0 | 0 | 0 | 107.3 | N9 Y10 V14 T94 E276 E278 | N9-V12 HydrophobicContact CB-CB 4.2Å; N9-V12 PolarHBondContact ND2-O 2.9Å; Y10-V12 PolarHBondContact O-N 2.98Å; Y10-V12 VanDerWaalsContact O-N 3.1Å; V12-V14 HydrophobicContact CG1-CG1 4.25Å; V12-V14 PolarHBondContact O-N 3.45Å; V12-T94 PolarHBondContact N-O 3.39Å; V12-T94 VanDerWaalsContact N-O 3.16Å; V12-E276 HydrophobicContact CG2-CB 3.97Å; V12-E278 HydrophobicContact CB-CG 4.24Å; V12-E278 HydrophobicContact CG1-CG 4.24Å; V12-E278 HydrophobicContact CG2-CG 3.96Å |
| 13 | P | 93.1 | Very high | 94.4 | Very high | 73 Ų | 73 | 24.8 Ų | 24.8 | 47% | 0.474 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 116.4 | -176.5 | -14 | 27.2 | 0 | 0 | 0 | 111 | Q11 L92 T94 | Q11-P13 WeakPolarHBondContact O-CD 3.49Å; P13-L92 HydrophobicContact CB-CB 4.01Å; P13-L92 HydrophobicContact CB-CD1 4.25Å; P13-L92 HydrophobicContact CB-CD2 4.39Å; P13-L92 HydrophobicContact CB-CG 4.46Å; P13-T94 HydrophobicContact CB-CG2 4.33Å; P13-T94 HydrophobicContact CG-CG2 4.24Å |
| 14 | V | 91.9 | Very high | 94.5 | Very high | 18 Ų | 18 | 25.7 Ų | 25.7 | 11% | 0.109 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 152.2 | 176.3 | -65.5 | 0 | 0 | 0 | 0 | 110.5 | N9 V12 V18 I19 I93 | N9-V14 HydrophobicContact CB-CG2 4.32Å; N9-V14 WeakPolarHBondContact ND2-CG2 3.29Å; V12-V14 HydrophobicContact CG1-CG1 4.25Å; V12-V14 PolarHBondContact O-N 3.45Å; V14-V18 HydrophobicContact CB-CB 4.34Å; V14-V18 HydrophobicContact CB-CG1 4.22Å; V14-V18 HydrophobicContact CG1-CG1 4.32Å; V14-I19 HydrophobicContact CG2-CD1 3.94Å; V14-I19 HydrophobicContact CG2-CG1 3.67Å; V14-I93 PolarHBondContact N-O 3.05Å; V14-I93 PolarHBondContact O-N 3.25Å |
| 15 | T | 90.4 | Very high | 94.4 | Very high | 29 Ų | 29 | 29.2 Ų | 29.2 | 18% | 0.178 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 157.7 | 173.6 | 69.3 | 0 | 0 | 0 | 0 | 110.4 | Q17 V18 I19 L92 | T15-Q17 PolarHBondContact O-N 2.97Å; T15-V18 WeakPolarHBondContact O-CB 3.26Å; T15-V18 PolarHBondContact O-N 3.16Å; T15-V18 WeakPolarHBondContact OG1-CG2 3.09Å; T15-V18 PolarHBondContact OG1-N 3.49Å; T15-I19 PolarHBondContact O-N 3.38Å; T15-I19 VanDerWaalsContact O-N 3.16Å; T15-L92 HydrophobicContact CG2-CD2 4.08Å |
| 16 | R | 87.5 | Confident | 94.3 | Very high | 9 Ų | 9 | 29.2 Ų | 29.2 | 3% | 0.034 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.8 | -31.3 | 177.1 | -150.3 | 172.3 | -59.7 | 139.8 | -4.5 | 113.2 | V18 I19 I20 D43 A44 D87 F88 I93 | R16-V18 VanDerWaalsContact C-N 3.29Å; R16-V18 PolarHBondContact O-N 3.06Å; R16-I19 WeakPolarHBondContact O-CB 3.18Å; R16-I19 PolarHBondContact O-N 2.92Å; R16-I20 HydrophobicContact CG-CD1 4.28Å; R16-I20 WeakPolarHBondContact O-CD1 3.5Å; R16-I20 WeakPolarHBondContact O-CG1 3.36Å; R16-I20 PolarHBondContact O-N 2.95Å; R16-D43 WeakPolarHBondContact CD-O 3.25Å; R16-D43 PolarHBondContact NE-O 3.08Å; R16-A44 VanDerWaalsContact CZ-O 3.27Å; R16-A44 PolarHBondContact NH1-O 2.84Å; R16-A44 PolarHBondContact NH2-O 2.97Å; R16-D87 PolarHBondContact NH1-O 3.46Å; R16-F88 HydrophobicContact CB-CD1 4.25Å; R16-F88 HydrophobicContact CG-CD1 4.22Å; R16-F88 HydrophobicContact CG-CE1 4.44Å; R16-I93 HydrophobicContact CB-CD1 3.81Å; R16-I93 HydrophobicContact CG-CD1 3.97Å |
| 17 | Q | 88.6 | Confident | 94.2 | Very high | 104 Ų | 104 | 29.2 Ų | 29.2 | 49% | 0.486 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60.1 | -40.4 | 172.8 | -173.8 | 62.4 | 56.5 | 0 | 0 | 111.7 | T15 N21 | T15-Q17 PolarHBondContact O-N 2.97Å; Q17-N21 PolarHBondContact NE2-OD1 2.94Å; Q17-N21 VanDerWaalsContact O-CB 3.31Å; Q17-N21 WeakPolarHBondContact O-CB 3.36Å; Q17-N21 PolarHBondContact O-N 3.43Å; Q17-N21 PolarHBondContact O-ND2 3.14Å |
| 18 | V | 92.4 | Very high | 94 | Very high | 64 Ų | 64 | 33 Ų | 33 | 39% | 0.388 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.4 | -45.6 | 175.4 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | V14 T15 R16 I20 N21 T22 | V14-V18 HydrophobicContact CB-CB 4.34Å; V14-V18 HydrophobicContact CB-CG1 4.22Å; V14-V18 HydrophobicContact CG1-CG1 4.32Å; T15-V18 WeakPolarHBondContact O-CB 3.26Å; T15-V18 PolarHBondContact O-N 3.16Å; T15-V18 WeakPolarHBondContact OG1-CG2 3.09Å; T15-V18 PolarHBondContact OG1-N 3.49Å; R16-V18 VanDerWaalsContact C-N 3.29Å; R16-V18 PolarHBondContact O-N 3.06Å; V18-I20 PolarHBondContact O-N 3.31Å; V18-N21 PolarHBondContact O-N 3.05Å; V18-T22 WeakPolarHBondContact O-CB 3.35Å; V18-T22 PolarHBondContact O-N 3.01Å; V18-T22 PolarHBondContact O-OG1 3.3Å |
| 19 | I | 93.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.9 | -50.9 | 176.3 | -63.4 | 169.1 | 0 | 0 | 0 | 110.9 | Y7 V14 T15 R16 N21 T22 L23 V42 I93 H96 | Y7-I19 HydrophobicContact CD1-CG1 4.44Å; Y7-I19 HydrophobicContact CD1-CG2 4.31Å; Y7-I19 HydrophobicContact CE1-CG1 4.08Å; V14-I19 HydrophobicContact CG2-CD1 3.94Å; V14-I19 HydrophobicContact CG2-CG1 3.67Å; T15-I19 PolarHBondContact O-N 3.38Å; T15-I19 VanDerWaalsContact O-N 3.16Å; R16-I19 WeakPolarHBondContact O-CB 3.18Å; R16-I19 PolarHBondContact O-N 2.92Å; I19-N21 PolarHBondContact O-N 3.27Å; I19-T22 WeakPolarHBondContact O-CB 3.44Å; I19-T22 PolarHBondContact O-N 2.63Å; I19-L23 HydrophobicContact CG2-CD1 4.41Å; I19-L23 WeakPolarHBondContact O-CG 3.41Å; I19-L23 PolarHBondContact O-N 3.07Å; I19-V42 HydrophobicContact CG2-CG1 4.32Å; I19-I93 HydrophobicContact CD1-CB 4.43Å; I19-I93 HydrophobicContact CD1-CD1 3.9Å; I19-H96 HydrophobicContact CD1-CB 3.83Å; I19-H96 WeakPolarHBondContact CG2-ND1 3.43Å |
| 20 | I | 93.5 | Very high | 93.8 | Very high | 8 Ų | 8 | 35.5 Ų | 35.5 | 4% | 0.041 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.6 | -45.5 | -180 | -70 | 159.1 | 0 | 0 | 0 | 111.1 | R16 V18 T22 L23 L24 V79 L83 | R16-I20 HydrophobicContact CG-CD1 4.28Å; R16-I20 WeakPolarHBondContact O-CD1 3.5Å; R16-I20 WeakPolarHBondContact O-CG1 3.36Å; R16-I20 PolarHBondContact O-N 2.95Å; V18-I20 PolarHBondContact O-N 3.31Å; I20-T22 VanDerWaalsContact C-N 3.33Å; I20-T22 PolarHBondContact O-N 3.18Å; I20-L23 PolarHBondContact O-N 2.79Å; I20-L24 HydrophobicContact CG2-CD1 3.85Å; I20-L24 HydrophobicContact CG2-CG 4.35Å; I20-L24 WeakPolarHBondContact O-CG 3.42Å; I20-L24 PolarHBondContact O-N 3.04Å; I20-V79 HydrophobicContact CG2-CG1 3.59Å; I20-L83 HydrophobicContact CD1-CD1 3.41Å; I20-L83 VanDerWaalsContact CD1-CD1 3.41Å; I20-L83 HydrophobicContact CG1-CD1 4.18Å |
| 21 | N | 94.3 | Very high | 93.6 | Very high | 68 Ų | 68 | 35.8 Ų | 35.8 | 36% | 0.364 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.8 | -40.9 | 177.9 | -72.3 | -12.1 | 0 | 0 | 0 | 111.5 | Q17 V18 I19 L24 N25 | Q17-N21 PolarHBondContact NE2-OD1 2.94Å; Q17-N21 VanDerWaalsContact O-CB 3.31Å; Q17-N21 WeakPolarHBondContact O-CB 3.36Å; Q17-N21 PolarHBondContact O-N 3.43Å; Q17-N21 PolarHBondContact O-ND2 3.14Å; V18-N21 PolarHBondContact O-N 3.05Å; I19-N21 PolarHBondContact O-N 3.27Å; N21-L24 PolarHBondContact O-N 2.93Å; N21-N25 VanDerWaalsContact O-CB 3.23Å; N21-N25 WeakPolarHBondContact O-CB 3.42Å; N21-N25 PolarHBondContact O-N 3.11Å; N21-N25 PolarHBondContact O-ND2 3.46Å |
| 22 | T | 96.8 | Very high | 93.4 | Very high | 16 Ų | 16 | 33.4 Ų | 33.4 | 10% | 0.098 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.9 | -46 | 175 | -63.4 | 0 | 0 | 0 | 0 | 110.9 | F5 Y7 V18 I19 I20 G26 F280 | F5-T22 HydrophobicContact CE1-CG2 4.01Å; F5-T22 VanDerWaalsContact CE1-O 3.28Å; F5-T22 WeakPolarHBondContact CE1-O 3.44Å; F5-T22 HydrophobicContact CZ-CG2 4.07Å; Y7-T22 HydrophobicContact CD1-CG2 3.98Å; Y7-T22 HydrophobicContact CD2-CG2 4.14Å; Y7-T22 HydrophobicContact CE1-CG2 4.41Å; Y7-T22 HydrophobicContact CG-CG2 3.81Å; V18-T22 WeakPolarHBondContact O-CB 3.35Å; V18-T22 PolarHBondContact O-N 3.01Å; V18-T22 PolarHBondContact O-OG1 3.3Å; I19-T22 WeakPolarHBondContact O-CB 3.44Å; I19-T22 PolarHBondContact O-N 2.63Å; I20-T22 VanDerWaalsContact C-N 3.33Å; I20-T22 PolarHBondContact O-N 3.18Å; T22-G26 PolarHBondContact O-N 3.01Å; T22-F280 HydrophobicContact CG2-CE1 4.11Å |
| 23 | L | 97.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.5 | -49 | 176.4 | -65.9 | 176.2 | 0 | 0 | 0 | 112.5 | F5 I19 I20 G26 L27 L40 V42 A100 | F5-L23 HydrophobicContact CD1-CD2 3.85Å; F5-L23 HydrophobicContact CE1-CD2 4.06Å; I19-L23 HydrophobicContact CG2-CD1 4.41Å; I19-L23 WeakPolarHBondContact O-CG 3.41Å; I19-L23 PolarHBondContact O-N 3.07Å; I20-L23 PolarHBondContact O-N 2.79Å; L23-G26 PolarHBondContact O-N 3.39Å; L23-L27 WeakPolarHBondContact O-CG 3.45Å; L23-L27 PolarHBondContact O-N 3.48Å; L23-L40 HydrophobicContact CB-CD2 4.46Å; L23-L40 HydrophobicContact CD1-CB 4.4Å; L23-V42 HydrophobicContact CD1-CG1 3.65Å; L23-A100 HydrophobicContact CB-CB 4.1Å; L23-A100 HydrophobicContact CD2-CB 4.12Å |
| 24 | L | 96.7 | Very high | 92.8 | Very high | 19 Ų | 19 | 29.9 Ų | 29.9 | 10% | 0.099 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.2 | -41.9 | -179.9 | -71.8 | 173.9 | 0 | 0 | 0 | 111.9 | I20 N21 L27 H28 L40 V72 L75 | I20-L24 HydrophobicContact CG2-CD1 3.85Å; I20-L24 HydrophobicContact CG2-CG 4.35Å; I20-L24 WeakPolarHBondContact O-CG 3.42Å; I20-L24 PolarHBondContact O-N 3.04Å; N21-L24 PolarHBondContact O-N 2.93Å; L24-L27 PolarHBondContact O-N 3.22Å; L24-H28 PolarHBondContact O-CD2 3.41Å; L24-H28 PolarHBondContact O-N 3.1Å; L24-L40 HydrophobicContact CD2-CD2 4.1Å; L24-L40 HydrophobicContact CG-CD2 4.34Å; L24-V72 HydrophobicContact CD2-CG1 4.42Å; L24-L75 HydrophobicContact CD2-CD2 4Å; L24-L75 HydrophobicContact CD2-CG 4.11Å |
| 25 | N | 95.8 | Very high | 92.7 | Very high | 74 Ų | 74 | 30 Ų | 30 | 40% | 0.396 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -62.9 | -45.8 | 175.6 | -72.9 | -17.1 | 0 | 0 | 0 | 111 | N21 L27 H28 R29 | N21-N25 VanDerWaalsContact O-CB 3.23Å; N21-N25 WeakPolarHBondContact O-CB 3.42Å; N21-N25 PolarHBondContact O-N 3.11Å; N21-N25 PolarHBondContact O-ND2 3.46Å; N25-L27 VanDerWaalsContact C-N 3.26Å; N25-L27 PolarHBondContact O-N 3.15Å; N25-H28 WeakPolarHBondContact O-CB 3.39Å; N25-H28 PolarHBondContact O-N 3.12Å; N25-R29 WeakPolarHBondContact O-CG 3.4Å; N25-R29 PolarHBondContact O-N 3.32Å |
| 26 | G | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -54.7 | -41.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T22 L23 R29 L30 | T22-G26 PolarHBondContact O-N 3.01Å; L23-G26 PolarHBondContact O-N 3.39Å; G26-R29 WeakPolarHBondContact O-CB 3.34Å; G26-R29 PolarHBondContact O-N 3.23Å; G26-L30 WeakPolarHBondContact O-CG 3.25Å; G26-L30 PolarHBondContact O-N 3.08Å |
| 27 | L | 96.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.3 | -39.7 | 174.1 | -66.3 | -165.9 | 0 | 0 | 0 | 113.4 | F5 L23 L24 N25 R29 L30 E31 A38 V72 L75 A100 T102 | F5-L27 HydrophobicContact CB-CD2 4.23Å; L23-L27 WeakPolarHBondContact O-CG 3.45Å; L23-L27 PolarHBondContact O-N 3.48Å; L24-L27 PolarHBondContact O-N 3.22Å; N25-L27 VanDerWaalsContact C-N 3.26Å; N25-L27 PolarHBondContact O-N 3.15Å; L27-R29 PolarHBondContact O-N 3.26Å; L27-L30 CarbonylContact O-C 3.59Å; L27-L30 WeakPolarHBondContact O-CA 3.47Å; L27-L30 PolarHBondContact O-N 3.03Å; L27-E31 PolarHBondContact O-N 3.48Å; L27-A38 HydrophobicContact CD1-CB 4.37Å; L27-V72 HydrophobicContact CB-CG1 3.8Å; L27-V72 HydrophobicContact CB-CG2 3.89Å; L27-L75 HydrophobicContact CD1-CD2 3.66Å; L27-A100 HydrophobicContact CD1-CB 3.93Å; L27-A100 HydrophobicContact CD2-CB 3.74Å; L27-A100 HydrophobicContact CG-CB 3.83Å; L27-T102 HydrophobicContact CB-CG2 4.04Å; L27-T102 HydrophobicContact CD1-CG2 4.3Å; L27-T102 HydrophobicContact CD2-CG2 4.15Å; L27-T102 HydrophobicContact CG-CG2 4.38Å |
| 28 | H | 94.6 | Very high | 93.5 | Very high | 83 Ų | 83 | 25 Ų | 25 | 38% | 0.384 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -58.7 | -35.3 | 173.3 | -77.6 | -60 | 0 | 0 | 0 | 111.9 | L24 N25 L30 | L24-H28 PolarHBondContact O-CD2 3.41Å; L24-H28 PolarHBondContact O-N 3.1Å; N25-H28 WeakPolarHBondContact O-CB 3.39Å; N25-H28 PolarHBondContact O-N 3.12Å; H28-L30 PolarHBondContact O-N 3.09Å |
| 29 | R | 93.6 | Very high | 93.8 | Very high | 53 Ų | 53 | 21.9 Ų | 21.9 | 20% | 0.2 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -12.4 | 173.3 | -55.4 | -46.4 | -178.4 | 178.6 | 0.2 | 114.3 | N25 G26 L27 Y32 S286 A287 E290 M337 | N25-R29 WeakPolarHBondContact O-CG 3.4Å; N25-R29 PolarHBondContact O-N 3.32Å; G26-R29 WeakPolarHBondContact O-CB 3.34Å; G26-R29 PolarHBondContact O-N 3.23Å; L27-R29 PolarHBondContact O-N 3.26Å; R29-Y32 WeakPolarHBondContact O-CD1 3.48Å; R29-Y32 WeakPolarHBondContact O-CE1 3.28Å; R29-S286 PolarHBondContact O-OG 3.37Å; R29-A287 HydrophobicContact CB-CB 4.08Å; R29-E290 VanDerWaalsContact CG-OE1 3.25Å; R29-E290 WeakPolarHBondContact CG-OE1 3.4Å; R29-E290 IonicContact CZ-OE1 3.92Å; R29-E290 IonicContact CZ-OE2 3.2Å; R29-E290 IonicContact NE-OE1 3.64Å; R29-E290 PolarHBondContact NE-OE1 3.45Å; R29-E290 IonicContact NE-OE2 2.63Å; R29-E290 PolarHBondContact NE-OE2 3.11Å; R29-E290 IonicContact NH2-OE1 3.59Å; R29-E290 IonicContact NH2-OE2 3.36Å; R29-E290 PolarHBondContact NH2-OE2 3.45Å; R29-M337 PolarHBondContact NH1-SD 3.39Å |
| 30 | L | 94.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -1.6 | -177.7 | -59.5 | 173.7 | 0 | 0 | 0 | 112.9 | I4 F5 G26 L27 H28 Y32 R33 C284 A287 | I4-L30 VanDerWaalsContact O-CD1 3.24Å; I4-L30 WeakPolarHBondContact O-CD1 3.42Å; F5-L30 HydrophobicContact CB-CD1 4.04Å; G26-L30 WeakPolarHBondContact O-CG 3.25Å; G26-L30 PolarHBondContact O-N 3.08Å; L27-L30 CarbonylContact O-C 3.59Å; L27-L30 WeakPolarHBondContact O-CA 3.47Å; L27-L30 PolarHBondContact O-N 3.03Å; H28-L30 PolarHBondContact O-N 3.09Å; L30-Y32 PolarHBondContact O-N 3.38Å; L30-R33 VanDerWaalsContact O-CB 3.25Å; L30-R33 WeakPolarHBondContact O-CB 3.42Å; L30-R33 PolarHBondContact O-N 3.19Å; L30-C284 HydrophobicContact CD2-CB 3.59Å; L30-A287 HydrophobicContact CD1-CB 3.98Å; L30-A287 HydrophobicContact CD2-CB 3.96Å; L30-A287 HydrophobicContact CG-CB 3.85Å |
| 31 | E | 92.1 | Very high | 94 | Very high | 35 Ų | 35 | 21.5 Ų | 21.5 | 16% | 0.164 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -59.7 | -34.9 | -175.5 | -171.9 | 167.4 | -121.4 | 0 | 0 | 112 | L27 R33 G34 Y35 K71 V72 | L27-E31 PolarHBondContact O-N 3.48Å; E31-R33 PolarHBondContact O-N 2.87Å; E31-G34 CarbonylContact O-C 3.56Å; E31-G34 VanDerWaalsContact O-C 3.29Å; E31-G34 PolarHBondContact O-N 3.15Å; E31-Y35 WeakPolarHBondContact O-CD1 3.14Å; E31-K71 WeakPolarHBondContact OE1-CB 3.28Å; E31-V72 HydrophobicContact CB-CG2 4.15Å; E31-V72 HydrophobicContact CG-CG2 4.1Å; E31-V72 WeakPolarHBondContact OE1-CB 3.46Å; E31-V72 WeakPolarHBondContact OE1-CG2 3.41Å; E31-V72 PolarHBondContact OE1-N 2.71Å |
| 32 | Y | 87.9 | Confident | 94 | Very high | 22 Ų | 22 | 18.3 Ų | 18.3 | 9% | 0.086 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -61.2 | -16.9 | 174.8 | 79.7 | -78.4 | 0 | 0 | 0 | 114.5 | R29 L30 C284 I490 K696 | R29-Y32 WeakPolarHBondContact O-CD1 3.48Å; R29-Y32 WeakPolarHBondContact O-CE1 3.28Å; L30-Y32 PolarHBondContact O-N 3.38Å; Y32-C284 PolarHBondContact OH-SG 2.9Å; Y32-C284 VanDerWaalsContact OH-SG 3.39Å; Y32-I490 VanDerWaalsContact CB-O 3.26Å; Y32-I490 WeakPolarHBondContact CB-O 3.19Å; Y32-I490 HydrophobicContact CD1-CD1 4.49Å; Y32-I490 HydrophobicContact CD1-CG2 4.04Å; Y32-I490 HydrophobicContact CD2-CG2 4.36Å; Y32-I490 WeakPolarHBondContact CD2-O 3.28Å; Y32-I490 HydrophobicContact CE1-CD1 4.17Å; Y32-I490 HydrophobicContact CG-CG2 3.83Å; Y32-K696 HydrophobicContact CD2-CB 3.72Å; Y32-K696 HydrophobicContact CD2-CG 3.85Å; Y32-K696 HydrophobicContact CE2-CB 4.13Å; Y32-K696 HydrophobicContact CE2-CG 3.9Å; Y32-K696 WeakPolarHBondContact O-CB 3.31Å; Y32-K696 PolarHBondContact O-N 2.77Å |
| 33 | R | 88.2 | Confident | 93.6 | Very high | 25 Ų | 25 | 18.5 Ų | 18.5 | 9% | 0.094 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -87.2 | -33.9 | 176.7 | -63.9 | -171.7 | 164.2 | -109.2 | -3.3 | 111.2 | M1 L30 E31 C284 A695 | M1-R33 CarbonylContact C-O 3.55Å; M1-R33 CarbonylContact O-C 3.45Å; M1-R33 WeakPolarHBondContact O-CA 3.19Å; M1-R33 WeakPolarHBondContact O-CB 3.32Å; M1-R33 PolarHBondContact SD-NH1 3.12Å; L30-R33 VanDerWaalsContact O-CB 3.25Å; L30-R33 WeakPolarHBondContact O-CB 3.42Å; L30-R33 PolarHBondContact O-N 3.19Å; E31-R33 PolarHBondContact O-N 2.87Å; R33-C284 PolarHBondContact NH2-SG 2.66Å; R33-A695 WeakPolarHBondContact O-CB 3.39Å |
| 34 | G | 86.8 | Confident | 92.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -167.3 | 143 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E31 T102 | E31-G34 CarbonylContact O-C 3.56Å; E31-G34 VanDerWaalsContact O-C 3.29Å; E31-G34 PolarHBondContact O-N 3.15Å; G34-T102 VanDerWaalsContact O-CB 3.24Å; G34-T102 WeakPolarHBondContact O-CB 3.36Å | ||
| 35 | Y | 89.4 | Confident | 91.2 | Very high | 20 Ų | 20 | 22.4 Ų | 22.4 | 8% | 0.078 | 11% | 0.112 | C | C | . | . | trans | -152.3 | 18.1 | -170.2 | 53.9 | -93.2 | 0 | 0 | 0 | 113.3 | E31 G70 R103 C690 P691 L694 | E31-Y35 WeakPolarHBondContact O-CD1 3.14Å; Y35-G70 CarbonylContact O-C 3.56Å; Y35-R103 PolarHBondContact N-O 2.83Å; Y35-C690 HydrophobicContact CD1-CB 4.06Å; Y35-C690 HydrophobicContact CD2-CB 4.26Å; Y35-C690 HydrophobicContact CE1-CB 3.89Å; Y35-C690 HydrophobicContact CE2-CB 4.07Å; Y35-C690 HydrophobicContact CG-CB 4.26Å; Y35-P691 PolarHBondContact OH-O 3.01Å; Y35-L694 VanDerWaalsContact CE1-O 3.25Å; Y35-L694 WeakPolarHBondContact CE1-O 3.39Å; Y35-L694 VanDerWaalsContact CZ-O 3.24Å; Y35-L694 PolarHBondContact OH-O 2.79Å | ||
| 36 | D | 91.1 | Very high | 89.5 | Confident | 35 Ų | 35 | 20.1 Ų | 20.1 | 19% | 0.187 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -77.7 | -30.5 | 176.2 | -64 | -31.2 | 0 | 0 | 0 | 111.8 | G70 R103 W104 A105 P110 | D36-G70 WeakPolarHBondContact O-CA 3.25Å; D36-G70 PolarHBondContact O-N 3.02Å; D36-R103 WeakPolarHBondContact CB-O 3.29Å; D36-R103 PolarHBondContact N-O 3.15Å; D36-W104 WeakPolarHBondContact OD2-CA 3.35Å; D36-W104 VanDerWaalsContact OD2-CD1 3.28Å; D36-A105 PolarHBondContact OD2-N 2.96Å; D36-P110 HydrophobicContact CB-CB 3.92Å; D36-P110 HydrophobicContact CB-CG 3.93Å |
| 37 | S | 94.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 161.7 | 175.2 | 50.5 | 0 | 0 | 0 | 0 | 110.5 | C68 G70 R103 | S37-C68 WeakPolarHBondContact CA-O 3.18Å; S37-C68 VanDerWaalsContact CB-O 3.31Å; S37-C68 WeakPolarHBondContact CB-O 3.28Å; S37-G70 CarbonylContact C-O 3.58Å; S37-G70 VanDerWaalsContact CA-O 3.3Å; S37-G70 WeakPolarHBondContact CA-O 3.49Å; S37-G70 PolarHBondContact N-O 3.44Å; S37-R103 PolarHBondContact N-O 2.89Å; S37-R103 PolarHBondContact O-N 3.08Å; S37-R103 WeakPolarHBondContact OG-CB 3.35Å |
| 38 | A | 97.3 | Very high | 85.3 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 2% | 0.017 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 161.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L27 C68 L75 H101 T102 | L27-A38 HydrophobicContact CD1-CB 4.37Å; A38-C68 PolarHBondContact N-O 3.28Å; A38-C68 PolarHBondContact O-N 2.95Å; A38-L75 HydrophobicContact CB-CB 4.22Å; A38-L75 HydrophobicContact CB-CD2 3.83Å; A38-H101 CarbonylContact C-O 3.56Å; A38-H101 WeakPolarHBondContact CA-O 3.38Å; A38-H101 WeakPolarHBondContact CB-O 3.31Å; A38-T102 HydrophobicContact CB-CG2 4.15Å |
| 39 | G | 97.6 | Very high | 82.9 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | 169.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | V66 A100 H101 H116 | G39-V66 CarbonylContact C-O 3.54Å; G39-V66 WeakPolarHBondContact CA-O 3.24Å; G39-A100 CarbonylContact O-C 3.29Å; G39-A100 WeakPolarHBondContact O-CA 3.24Å; G39-H101 PolarHBondContact N-O 3.06Å; G39-H101 PolarHBondContact O-N 2.87Å; G39-H116 WeakPolarHBondContact CA-O 3.29Å; G39-H116 PolarHBondContact N-O 2.82Å |
| 40 | L | 97.3 | Very high | 80.2 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 160.5 | 176.3 | 62.3 | 77.5 | 0 | 0 | 0 | 112.2 | L23 L24 V42 V65 V66 L75 V79 I99 A100 | L23-L40 HydrophobicContact CB-CD2 4.46Å; L23-L40 HydrophobicContact CD1-CB 4.4Å; L24-L40 HydrophobicContact CD2-CD2 4.1Å; L24-L40 HydrophobicContact CG-CD2 4.34Å; L40-V42 HydrophobicContact CD1-CG1 4.21Å; L40-V42 HydrophobicContact CD1-CG2 4.34Å; L40-V65 WeakPolarHBondContact O-CA 3.3Å; L40-V66 HydrophobicContact CD1-CB 4.45Å; L40-V66 PolarHBondContact N-O 2.89Å; L40-V66 PolarHBondContact O-N 3.47Å; L40-L75 HydrophobicContact CD2-CD2 4.48Å; L40-V79 HydrophobicContact CD1-CG2 4.38Å; L40-V79 HydrophobicContact CD2-CG2 3.8Å; L40-V79 HydrophobicContact CG-CG2 4.13Å; L40-I99 CarbonylContact C-O 3.55Å; L40-I99 VanDerWaalsContact CA-O 3.24Å; L40-I99 WeakPolarHBondContact CA-O 3.41Å; L40-A100 HydrophobicContact CB-CB 3.93Å |
| 41 | A | 95.8 | Very high | 77.8 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 131.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I63 R64 V65 G98 I99 P117 V127 | A41-I63 HydrophobicContact CB-CG2 4.12Å; A41-R64 WeakPolarHBondContact CA-O 3.38Å; A41-V65 HydrophobicContact CB-CG2 4.07Å; A41-G98 WeakPolarHBondContact O-CA 3.38Å; A41-I99 HydrophobicContact CB-CD1 4.5Å; A41-I99 HydrophobicContact CB-CG1 3.92Å; A41-I99 PolarHBondContact N-O 2.98Å; A41-I99 PolarHBondContact O-N 3.45Å; A41-I99 VanDerWaalsContact O-N 3.14Å; A41-P117 HydrophobicContact CB-CB 4.44Å; A41-P117 HydrophobicContact CB-CG 3.87Å; A41-V127 HydrophobicContact CB-CG2 4.19Å |
| 42 | V | 93.3 | Very high | 75.5 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 172.7 | -179.6 | -66.1 | 0 | 0 | 0 | 0 | 110.1 | I19 L23 L40 I63 R64 | I19-V42 HydrophobicContact CG2-CG1 4.32Å; L23-V42 HydrophobicContact CD1-CG1 3.65Å; L40-V42 HydrophobicContact CD1-CG1 4.21Å; L40-V42 HydrophobicContact CD1-CG2 4.34Å; V42-I63 CarbonylContact O-C 3.46Å; V42-I63 WeakPolarHBondContact O-CA 3.08Å; V42-R64 PolarHBondContact N-O 3.4Å; V42-R64 PolarHBondContact O-N 3.02Å |
| 43 | D | 88.2 | Confident | 73 | Confident | 19 Ų | 19 | 48.8 Ų | 48.8 | 10% | 0.102 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 137 | 176.3 | -60.1 | -43.8 | 0 | 0 | 0 | 109.3 | R16 F62 I63 H96 K198 | R16-D43 WeakPolarHBondContact CD-O 3.25Å; R16-D43 PolarHBondContact NE-O 3.08Å; D43-F62 CarbonylContact C-O 3.54Å; D43-F62 WeakPolarHBondContact CA-O 3.33Å; D43-I63 WeakPolarHBondContact OD1-CG1 3.37Å; D43-H96 PolarHBondContact N-NE2 3.31Å; D43-H96 VanDerWaalsContact N-NE2 3.16Å; D43-H96 IonicContact OD2-CD2 3.31Å; D43-H96 PolarHBondContact OD2-CD2 2.82Å; D43-H96 IonicContact OD2-NE2 2.72Å; D43-H96 PolarHBondContact OD2-NE2 3.33Å; D43-H96 VanDerWaalsContact OD2-NE2 3.1Å; D43-K198 VanDerWaalsContact OD1-CE 3.27Å; D43-K198 WeakPolarHBondContact OD1-CE 3.43Å; D43-K198 IonicContact OD1-NZ 3.49Å; D43-K198 PolarHBondContact OD1-NZ 3.13Å; D43-K198 IonicContact OD2-NZ 2.98Å; D43-K198 PolarHBondContact OD2-NZ 3.16Å |
| 44 | A | 75 | Confident | 70.4 | Confident | 12 Ų | 12 | 51 Ų | 51 | 10% | 0.099 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -78.1 | -38.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R16 F62 R64 | R16-A44 VanDerWaalsContact CZ-O 3.27Å; R16-A44 PolarHBondContact NH1-O 2.84Å; R16-A44 PolarHBondContact NH2-O 2.97Å; A44-F62 WeakPolarHBondContact CB-O 3.24Å; A44-F62 PolarHBondContact N-O 2.84Å; A44-R64 HydrophobicContact CB-CG 3.73Å |
| 45 | V | 69 | Low | 68.3 | Low | 90 Ų | 90 | 59.3 Ų | 59.3 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -130 | 128.7 | 173.5 | -174.7 | 0 | 0 | 0 | 0 | 106.1 | F62 | V45-F62 HydrophobicContact CB-CD1 3.99Å; V45-F62 WeakPolarHBondContact O-CB 3.4Å |
| 46 | C | 60.2 | Low | 65.9 | Low | 26 Ų | 26 | 64.1 Ų | 64.1 | 18% | 0.176 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 135.8 | 176 | -65.2 | 0 | 0 | 0 | 0 | 108 | E48 I93 | C46-E48 PolarHBondContact O-N 2.96Å; C46-I93 HydrophobicContact CB-CG1 4.47Å; C46-I93 HydrophobicContact CB-CG2 4.11Å; C46-I93 WeakPolarHBondContact SG-CD1 3.32Å; C46-I93 VanDerWaalsContact SG-CG1 3.54Å; C46-I93 WeakPolarHBondContact SG-CG2 3.19Å |
| 47 | P | 53.2 | Low | 63.5 | Low | 46 Ų | 46 | 65.3 Ų | 65.3 | 30% | 0.299 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 130.5 | 175.4 | -18.2 | 29.1 | 0 | 0 | 0 | 109.6 | P203 | P47-P203 HydrophobicContact CG-CB 4Š|
| 48 | E | 51.8 | Low | 60.8 | Low | 151 Ų | 151 | 69.4 Ų | 69.4 | 71% | 0.706 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 148.7 | 164.6 | -68.6 | -172.6 | 173.7 | 0 | 0 | 108.6 | C46 D50 D51 | C46-E48 PolarHBondContact O-N 2.96Å; E48-D50 PolarHBondContact O-N 3.04Å; E48-D51 PolarHBondContact O-N 2.84Å |
| 49 | Q | 44 | Very low | 58.4 | Low | 158 Ų | 158 | 73.4 Ų | 73.4 | 74% | 0.738 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -20.4 | -174.3 | -83.9 | 180 | -15.5 | 0 | 0 | 114 | ||
| 50 | D | 37 | Very low | 56.2 | Low | 139 Ų | 139 | 81.5 Ų | 81.5 | 74% | 0.743 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -16.5 | 178 | -74.7 | -25.9 | 0 | 0 | 0 | 114.4 | E48 L52 S53 | E48-D50 PolarHBondContact O-N 3.04Å; D50-L52 VanDerWaalsContact C-N 3.26Å; D50-L52 PolarHBondContact O-N 2.81Å; D50-S53 PolarHBondContact O-OG 2.98Å |
| 51 | D | 43.3 | Very low | 54.1 | Low | 88 Ų | 88 | 84 Ų | 84 | 47% | 0.471 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -77.8 | -7.2 | -179.3 | -97.2 | -8.9 | 0 | 0 | 0 | 113.7 | E48 S53 | E48-D51 PolarHBondContact O-N 2.84Å; D51-S53 PolarHBondContact O-N 2.82Å |
| 52 | L | 43.7 | Very low | 53.1 | Low | 119 Ų | 119 | 86.3 Ų | 86.3 | 62% | 0.623 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -74.8 | -0.5 | 175.4 | -67.4 | 167 | 0 | 0 | 0 | 113.2 | D50 P203 | D50-L52 VanDerWaalsContact C-N 3.26Å; D50-L52 PolarHBondContact O-N 2.81Å; L52-P203 HydrophobicContact CD2-CB 4.28Å; L52-P203 HydrophobicContact CD2-CG 3.29Å |
| 53 | S | 36.2 | Very low | 53 | Low | 94 Ų | 94 | 86.3 Ų | 86.3 | 66% | 0.657 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -110.9 | -3.8 | -171.9 | 69 | 0 | 0 | 0 | 0 | 115.5 | D50 D51 N55 | D50-S53 PolarHBondContact O-OG 2.98Å; D51-S53 PolarHBondContact O-N 2.82Å; S53-N55 PolarHBondContact O-N 3.12Å |
| 54 | T | 34.4 | Very low | 53.2 | Low | 72 Ų | 72 | 89.9 Ų | 89.9 | 44% | 0.442 | 49% | 0.492 | S | S | . | . | trans | -92.6 | 102.6 | -177.9 | 57.1 | 0 | 0 | 0 | 0 | 112.5 | D56 | T54-D56 PolarHBondContact O-N 2.84Š| ||
| 55 | N | 40.8 | Very low | 54.1 | Low | 174 Ų | 174 | 90.2 Ų | 90.2 | 93% | 0.93 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 20.5 | 172.5 | -80.6 | -21 | 0 | 0 | 0 | 114.7 | S53 | S53-N55 PolarHBondContact O-N 3.12Š|
| 56 | D | 39.6 | Very low | 55.3 | Low | 120 Ų | 120 | 86.3 Ų | 86.3 | 64% | 0.642 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -20.4 | -171.7 | 165.1 | -64.1 | 0 | 0 | 0 | 113.7 | T54 S58 | T54-D56 PolarHBondContact O-N 2.84Å; D56-S58 VanDerWaalsContact C-N 3.27Å; D56-S58 PolarHBondContact O-N 3.27Å; D56-S58 WeakPolarHBondContact OD1-CB 3.37Å; D56-S58 PolarHBondContact OD1-N 3.09Å; D56-S58 PolarHBondContact OD1-OG 3.01Å |
| 57 | G | 41.7 | Very low | 57 | Low | 61 Ų | 61 | 86.1 Ų | 86.1 | 63% | 0.629 | 46% | 0.464 | S | S | * | . | trans | 79.1 | 0.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | H59 | G57-H59 VanDerWaalsContact C-N 3.25Å; G57-H59 PolarHBondContact O-N 3.25Å | ||
| 58 | S | 37.9 | Very low | 58.9 | Low | 86 Ų | 86 | 85.1 Ų | 85.1 | 60% | 0.601 | 46% | 0.459 | S | S | * | . | trans | -84.3 | 42 | 171.6 | 61.8 | 0 | 0 | 0 | 0 | 114.6 | D56 K60 | D56-S58 VanDerWaalsContact C-N 3.27Å; D56-S58 PolarHBondContact O-N 3.27Å; D56-S58 WeakPolarHBondContact OD1-CB 3.37Å; D56-S58 PolarHBondContact OD1-N 3.09Å; D56-S58 PolarHBondContact OD1-OG 3.01Å; S58-K60 PolarHBondContact O-N 3.16Å | ||
| 59 | H | 47.2 | Very low | 61 | Low | 85 Ų | 85 | 83.9 Ų | 83.9 | 39% | 0.394 | 45% | 0.451 | S | S | . | . | trans | -60.6 | 98.1 | 175.3 | -66.3 | -59.4 | 0 | 0 | 0 | 110.6 | G57 T61 | G57-H59 VanDerWaalsContact C-N 3.25Å; G57-H59 PolarHBondContact O-N 3.25Å; H59-T61 PolarHBondContact O-N 2.87Å | ||
| 60 | K | 50 | Low | 63.3 | Low | 170 Ų | 170 | 77.4 Ų | 77.4 | 74% | 0.739 | 43% | 0.426 | S | S | * | . | trans | -58.8 | 122 | 168 | -83.6 | -179.1 | 178.7 | 173 | 0 | 107.3 | S58 F62 | S58-K60 PolarHBondContact O-N 3.16Å; K60-F62 HydrophobicContact CB-CE1 3.86Å; K60-F62 HydrophobicContact CB-CZ 4.28Å; K60-F62 WeakPolarHBondContact O-CD1 3.34Å; K60-F62 WeakPolarHBondContact O-CD2 3.41Å; K60-F62 WeakPolarHBondContact O-CE1 3.45Å; K60-F62 WeakPolarHBondContact O-CE2 3.49Å; K60-F62 WeakPolarHBondContact O-CG 3.42Å; K60-F62 WeakPolarHBondContact O-CZ 3.45Å; K60-F62 PolarHBondContact O-N 3.27Å; K60-F62 VanDerWaalsContact O-N 3.14Å | ||
| 61 | T | 54.1 | Low | 65.9 | Low | 52 Ų | 52 | 74.4 Ų | 74.4 | 32% | 0.319 | 41% | 0.407 | S | S | . | . | trans | -73.5 | 113.1 | -172.5 | 26.9 | 0 | 0 | 0 | 0 | 112 | H59 R64 D123 C200 | H59-T61 PolarHBondContact O-N 2.87Å; T61-R64 PolarHBondContact O-NH1 3.29Å; T61-D123 WeakPolarHBondContact CB-O 3.4Å; T61-D123 HydrophobicContact CG2-CB 4Å; T61-D123 WeakPolarHBondContact CG2-O 3.38Å; T61-C200 HydrophobicContact CG2-CB 4.45Å | ||
| 62 | F | 75.4 | Confident | 68.3 | Low | 49 Ų | 49 | 70.2 Ų | 70.2 | 22% | 0.215 | 39% | 0.385 | C | S | . | . | trans | -92.3 | -13.1 | -174.6 | -36 | -76.3 | 0 | 0 | 0 | 113 | D43 A44 V45 K60 R64 | D43-F62 CarbonylContact C-O 3.54Å; D43-F62 WeakPolarHBondContact CA-O 3.33Å; A44-F62 WeakPolarHBondContact CB-O 3.24Å; A44-F62 PolarHBondContact N-O 2.84Å; V45-F62 HydrophobicContact CB-CD1 3.99Å; V45-F62 WeakPolarHBondContact O-CB 3.4Å; K60-F62 HydrophobicContact CB-CE1 3.86Å; K60-F62 HydrophobicContact CB-CZ 4.28Å; K60-F62 WeakPolarHBondContact O-CD1 3.34Å; K60-F62 WeakPolarHBondContact O-CD2 3.41Å; K60-F62 WeakPolarHBondContact O-CE1 3.45Å; K60-F62 WeakPolarHBondContact O-CE2 3.49Å; K60-F62 WeakPolarHBondContact O-CG 3.42Å; K60-F62 WeakPolarHBondContact O-CZ 3.45Å; K60-F62 PolarHBondContact O-N 3.27Å; K60-F62 VanDerWaalsContact O-N 3.14Å; F62-R64 PolarHBondContact O-N 2.84Å | ||
| 63 | I | 90.8 | Very high | 70.7 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 127.2 | -176.7 | -59.9 | 175.9 | 0 | 0 | 0 | 110.6 | A41 V42 D43 V65 N124 V127 K198 C200 | A41-I63 HydrophobicContact CB-CG2 4.12Å; V42-I63 CarbonylContact O-C 3.46Å; V42-I63 WeakPolarHBondContact O-CA 3.08Å; D43-I63 WeakPolarHBondContact OD1-CG1 3.37Å; I63-V65 HydrophobicContact CG2-CG2 4.35Å; I63-N124 HydrophobicContact CB-CB 4.16Å; I63-N124 HydrophobicContact CG2-CB 4.3Å; I63-N124 PolarHBondContact O-ND2 2.9Å; I63-V127 HydrophobicContact CD1-CG2 4.48Å; I63-V127 HydrophobicContact CG2-CG1 4.38Å; I63-V127 HydrophobicContact CG2-CG2 4.32Å; I63-K198 HydrophobicContact CD1-CD 4.23Å; I63-K198 HydrophobicContact CD1-CG 4.06Å; I63-C200 HydrophobicContact CD1-CB 4.05Å; I63-C200 HydrophobicContact CG1-CB 4.4Å |
| 64 | R | 91.1 | Very high | 73.4 | Confident | 94 Ų | 94 | 65.5 Ų | 65.5 | 36% | 0.355 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 130 | 171.6 | -67.3 | -65.3 | -176.3 | -94.6 | 0.2 | 109.6 | A41 V42 A44 T61 F62 F82 | A41-R64 WeakPolarHBondContact CA-O 3.38Å; V42-R64 PolarHBondContact N-O 3.4Å; V42-R64 PolarHBondContact O-N 3.02Å; A44-R64 HydrophobicContact CB-CG 3.73Å; T61-R64 PolarHBondContact O-NH1 3.29Å; F62-R64 PolarHBondContact O-N 2.84Å; R64-F82 HydrophobicContact CB-CE1 4.17Å; R64-F82 HydrophobicContact CG-CE1 4.35Å |
| 65 | V | 94.2 | Very high | 76.3 | Confident | 20 Ų | 20 | 62.1 Ų | 62.1 | 12% | 0.121 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 123.4 | 177.1 | -179.8 | 0 | 0 | 0 | 0 | 108 | L40 A41 I63 R67 V127 | L40-V65 WeakPolarHBondContact O-CA 3.3Å; A41-V65 HydrophobicContact CB-CG2 4.07Å; I63-V65 HydrophobicContact CG2-CG2 4.35Å; V65-R67 HydrophobicContact CG1-CG 3.99Å; V65-V127 HydrophobicContact CG2-CG1 3.94Å |
| 66 | V | 94.8 | Very high | 78.8 | Confident | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 128.2 | 174.3 | -174.1 | 0 | 0 | 0 | 0 | 108 | G39 L40 L75 A78 V79 F82 | G39-V66 CarbonylContact C-O 3.54Å; G39-V66 WeakPolarHBondContact CA-O 3.24Å; L40-V66 HydrophobicContact CD1-CB 4.45Å; L40-V66 PolarHBondContact N-O 2.89Å; L40-V66 PolarHBondContact O-N 3.47Å; V66-L75 HydrophobicContact CB-CD1 4.5Å; V66-L75 HydrophobicContact CG1-CD1 4.06Å; V66-A78 HydrophobicContact CG1-CB 4.08Å; V66-V79 HydrophobicContact CB-CG2 4.18Å; V66-V79 HydrophobicContact CG1-CG2 3.91Å; V66-F82 HydrophobicContact CG1-CB 4.46Å; V66-F82 HydrophobicContact CG2-CB 4.12Å; V66-F82 HydrophobicContact CG2-CD1 3.39Å; V66-F82 HydrophobicContact CG2-CE1 3.97Å; V66-F82 HydrophobicContact CG2-CG 3.88Å |
| 67 | R | 96 | Very high | 81.4 | Confident | 22 Ų | 22 | 54.4 Ų | 54.4 | 8% | 0.083 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 148.4 | -177.2 | -73 | 175.9 | -65.9 | 178 | 2.2 | 109.1 | V65 E112 V113 A115 | V65-R67 HydrophobicContact CG1-CG 3.99Å; R67-E112 HydrophobicContact CB-CG 3.74Å; R67-E112 WeakPolarHBondContact CD-O 3.39Å; R67-V113 PolarHBondContact NH1-O 3.16Å; R67-V113 VanDerWaalsContact NH1-O 3.17Å; R67-A115 HydrophobicContact CB-CB 4Å; R67-A115 WeakPolarHBondContact CD-O 3.4Å; R67-A115 HydrophobicContact CG-CB 4.11Å |
| 68 | C | 94 | Very high | 83.8 | Confident | 26 Ų | 26 | 52.4 Ų | 52.4 | 18% | 0.176 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 143.6 | 179.4 | -166 | 0 | 0 | 0 | 0 | 110.7 | S37 A38 L75 A78 | S37-C68 WeakPolarHBondContact CA-O 3.18Å; S37-C68 VanDerWaalsContact CB-O 3.31Å; S37-C68 WeakPolarHBondContact CB-O 3.28Å; A38-C68 PolarHBondContact N-O 3.28Å; A38-C68 PolarHBondContact O-N 2.95Å; C68-L75 HydrophobicContact CB-CB 4.24Å; C68-L75 HydrophobicContact CB-CD1 4.28Å; C68-A78 HydrophobicContact CB-CB 4.26Å |
| 69 | K | 94.5 | Very high | 86.3 | Confident | 124 Ų | 124 | 48.6 Ų | 48.6 | 54% | 0.539 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 142.1 | 168.4 | -178.8 | 178.6 | -179.6 | 152.2 | 0 | 109.9 | P110 | K69-P110 VanDerWaalsContact CD-O 3.23Å; K69-P110 WeakPolarHBondContact CD-O 3.23Å; K69-P110 WeakPolarHBondContact CE-O 3.47Å; K69-P110 PolarHBondContact NZ-O 2.87Å |
| 70 | G | 92 | Very high | 88.1 | Confident | 22 Ų | 22 | 52.3 Ų | 52.3 | 23% | 0.227 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 94.7 | -157.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y35 D36 S37 | Y35-G70 CarbonylContact O-C 3.56Å; D36-G70 WeakPolarHBondContact O-CA 3.25Å; D36-G70 PolarHBondContact O-N 3.02Å; S37-G70 CarbonylContact C-O 3.58Å; S37-G70 VanDerWaalsContact CA-O 3.3Å; S37-G70 WeakPolarHBondContact CA-O 3.49Å; S37-G70 PolarHBondContact N-O 3.44Å |
| 71 | K | 91.9 | Very high | 89.7 | Confident | 76 Ų | 76 | 50.2 Ų | 50.2 | 33% | 0.33 | 26% | 0.261 | S | S | . | . | trans | -69.6 | 163.2 | -173.8 | -68.3 | -172.6 | 177.1 | -174.4 | 0 | 113.4 | E31 A73 S74 L75 D687 | E31-K71 WeakPolarHBondContact OE1-CB 3.28Å; K71-A73 PolarHBondContact O-N 3.37Å; K71-S74 WeakPolarHBondContact O-CB 3.36Å; K71-S74 PolarHBondContact O-N 2.92Å; K71-S74 PolarHBondContact O-OG 3.29Å; K71-L75 PolarHBondContact O-N 3.45Å; K71-D687 IonicContact NZ-OD2 3.57Å; K71-D687 PolarHBondContact NZ-OD2 2.73Å | ||
| 72 | V | 94.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58 | -32.3 | 179.5 | -179 | 0 | 0 | 0 | 0 | 111.8 | L24 L27 E31 S74 L75 G76 T102 | L24-V72 HydrophobicContact CD2-CG1 4.42Å; L27-V72 HydrophobicContact CB-CG1 3.8Å; L27-V72 HydrophobicContact CB-CG2 3.89Å; E31-V72 HydrophobicContact CB-CG2 4.15Å; E31-V72 HydrophobicContact CG-CG2 4.1Å; E31-V72 WeakPolarHBondContact OE1-CB 3.46Å; E31-V72 WeakPolarHBondContact OE1-CG2 3.41Å; E31-V72 PolarHBondContact OE1-N 2.71Å; V72-S74 VanDerWaalsContact C-N 3.26Å; V72-S74 PolarHBondContact O-N 2.78Å; V72-L75 WeakPolarHBondContact O-CB 3.38Å; V72-L75 PolarHBondContact O-N 3.41Å; V72-L75 VanDerWaalsContact O-N 3.13Å; V72-G76 PolarHBondContact O-N 3.14Å; V72-T102 HydrophobicContact CG2-CG2 3.5Å |
| 73 | A | 93.9 | Very high | 90.6 | Very high | 67 Ų | 67 | 51.2 Ų | 51.2 | 55% | 0.554 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -57.4 | -37.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | K71 G76 Q77 | K71-A73 PolarHBondContact O-N 3.37Å; A73-G76 PolarHBondContact O-N 2.75Å; A73-Q77 PolarHBondContact O-N 2.8Å; A73-Q77 VanDerWaalsContact O-N 3.14Å |
| 74 | S | 93.7 | Very high | 89.4 | Confident | 47 Ų | 47 | 54.1 Ų | 54.1 | 33% | 0.329 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.8 | -38.9 | 177.4 | -41.6 | 0 | 0 | 0 | 0 | 111 | K71 V72 G76 Q77 A78 | K71-S74 WeakPolarHBondContact O-CB 3.36Å; K71-S74 PolarHBondContact O-N 2.92Å; K71-S74 PolarHBondContact O-OG 3.29Å; V72-S74 VanDerWaalsContact C-N 3.26Å; V72-S74 PolarHBondContact O-N 2.78Å; S74-G76 VanDerWaalsContact C-N 3.33Å; S74-Q77 PolarHBondContact O-N 2.87Å; S74-A78 PolarHBondContact O-N 2.84Å |
| 75 | L | 95.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61 | -43.2 | 170.8 | 177.1 | 66.1 | 0 | 0 | 0 | 111.1 | L24 L27 A38 L40 V66 C68 K71 V72 Q77 A78 V79 | L24-L75 HydrophobicContact CD2-CD2 4Å; L24-L75 HydrophobicContact CD2-CG 4.11Å; L27-L75 HydrophobicContact CD1-CD2 3.66Å; A38-L75 HydrophobicContact CB-CB 4.22Å; A38-L75 HydrophobicContact CB-CD2 3.83Å; L40-L75 HydrophobicContact CD2-CD2 4.48Å; V66-L75 HydrophobicContact CB-CD1 4.5Å; V66-L75 HydrophobicContact CG1-CD1 4.06Å; C68-L75 HydrophobicContact CB-CB 4.24Å; C68-L75 HydrophobicContact CB-CD1 4.28Å; K71-L75 PolarHBondContact O-N 3.45Å; V72-L75 WeakPolarHBondContact O-CB 3.38Å; V72-L75 PolarHBondContact O-N 3.41Å; V72-L75 VanDerWaalsContact O-N 3.13Å; L75-Q77 PolarHBondContact O-N 2.84Å; L75-A78 PolarHBondContact O-N 2.98Å; L75-V79 HydrophobicContact CD1-CG2 3.92Å; L75-V79 HydrophobicContact CG-CG2 4.05Å; L75-V79 WeakPolarHBondContact O-CB 3.36Å; L75-V79 WeakPolarHBondContact O-CG2 3.39Å; L75-V79 PolarHBondContact O-N 2.82Å |
| 76 | G | 93.7 | Very high | 85.8 | Confident | 14 Ų | 14 | 64.4 Ų | 64.4 | 14% | 0.144 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.6 | -34.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V72 A73 S74 K80 | V72-G76 PolarHBondContact O-N 3.14Å; A73-G76 PolarHBondContact O-N 2.75Å; S74-G76 VanDerWaalsContact C-N 3.33Å; G76-K80 WeakPolarHBondContact O-CG 3.25Å; G76-K80 PolarHBondContact O-N 3.21Å |
| 77 | Q | 92.9 | Very high | 83.9 | Confident | 119 Ų | 119 | 68 Ų | 68 | 56% | 0.556 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -71.1 | -50.1 | 171.7 | -178.9 | 176.7 | -4.3 | 0 | 0 | 111.8 | A73 S74 L75 V79 K80 E81 | A73-Q77 PolarHBondContact O-N 2.8Å; A73-Q77 VanDerWaalsContact O-N 3.14Å; S74-Q77 PolarHBondContact O-N 2.87Å; L75-Q77 PolarHBondContact O-N 2.84Å; Q77-V79 PolarHBondContact O-N 2.76Å; Q77-K80 WeakPolarHBondContact O-CB 3.3Å; Q77-K80 PolarHBondContact O-N 3.36Å; Q77-E81 VanDerWaalsContact CG-OE1 3.32Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.47Å; Q77-E81 PolarHBondContact NE2-OE1 3.38Å; Q77-E81 PolarHBondContact O-N 3.11Å |
| 78 | A | 92.1 | Very high | 82.3 | Confident | 19 Ų | 19 | 68.7 Ų | 68.7 | 16% | 0.157 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.8 | -37.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V66 C68 S74 L75 E81 F82 | V66-A78 HydrophobicContact CG1-CB 4.08Å; C68-A78 HydrophobicContact CB-CB 4.26Å; S74-A78 PolarHBondContact O-N 2.84Å; L75-A78 PolarHBondContact O-N 2.98Å; A78-E81 PolarHBondContact O-N 3.11Å; A78-F82 WeakPolarHBondContact O-CB 3.47Å; A78-F82 PolarHBondContact O-N 2.86Å |
| 79 | V | 90.4 | Very high | 80.7 | Confident | 5 Ų | 5 | 70.7 Ų | 70.7 | 3% | 0.03 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.1 | -43 | 175.1 | 168.1 | 0 | 0 | 0 | 0 | 111 | I20 L40 V66 L75 Q77 E81 L83 | I20-V79 HydrophobicContact CG2-CG1 3.59Å; L40-V79 HydrophobicContact CD1-CG2 4.38Å; L40-V79 HydrophobicContact CD2-CG2 3.8Å; L40-V79 HydrophobicContact CG-CG2 4.13Å; V66-V79 HydrophobicContact CB-CG2 4.18Å; V66-V79 HydrophobicContact CG1-CG2 3.91Å; L75-V79 HydrophobicContact CD1-CG2 3.92Å; L75-V79 HydrophobicContact CG-CG2 4.05Å; L75-V79 WeakPolarHBondContact O-CB 3.36Å; L75-V79 WeakPolarHBondContact O-CG2 3.39Å; L75-V79 PolarHBondContact O-N 2.82Å; Q77-V79 PolarHBondContact O-N 2.76Å; V79-E81 VanDerWaalsContact C-N 3.34Å; V79-L83 HydrophobicContact CG1-CD1 3.64Å; V79-L83 HydrophobicContact CG1-CG 4.33Å; V79-L83 WeakPolarHBondContact O-CA 3.41Å; V79-L83 WeakPolarHBondContact O-CB 3.36Å; V79-L83 VanDerWaalsContact O-CG 3.27Å; V79-L83 WeakPolarHBondContact O-CG 3.27Å; V79-L83 PolarHBondContact O-N 3.01Å |
| 80 | K | 86.4 | Confident | 79.5 | Confident | 164 Ų | 164 | 71.5 Ų | 71.5 | 71% | 0.713 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -66.4 | -35.6 | 176.2 | -70.6 | 173.2 | -177.7 | -178.8 | 0 | 112.9 | G76 Q77 | G76-K80 WeakPolarHBondContact O-CG 3.25Å; G76-K80 PolarHBondContact O-N 3.21Å; Q77-K80 WeakPolarHBondContact O-CB 3.3Å; Q77-K80 PolarHBondContact O-N 3.36Å |
| 81 | E | 83.4 | Confident | 78.9 | Confident | 125 Ų | 125 | 75.7 Ų | 75.7 | 58% | 0.584 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -74.5 | -39.1 | 179.2 | -70 | 172.4 | -172 | 0 | 0 | 111.8 | Q77 A78 V79 | Q77-E81 VanDerWaalsContact CG-OE1 3.32Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.47Å; Q77-E81 PolarHBondContact NE2-OE1 3.38Å; Q77-E81 PolarHBondContact O-N 3.11Å; A78-E81 PolarHBondContact O-N 3.11Å; V79-E81 VanDerWaalsContact C-N 3.34Å |
| 82 | F | 77.4 | Confident | 78.7 | Confident | 105 Ų | 105 | 77.6 Ų | 77.6 | 46% | 0.461 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -81.6 | -30.1 | -178.2 | -169.5 | -93.4 | 0 | 0 | 0 | 112.8 | R64 V66 A78 | R64-F82 HydrophobicContact CB-CE1 4.17Å; R64-F82 HydrophobicContact CG-CE1 4.35Å; V66-F82 HydrophobicContact CG1-CB 4.46Å; V66-F82 HydrophobicContact CG2-CB 4.12Å; V66-F82 HydrophobicContact CG2-CD1 3.39Å; V66-F82 HydrophobicContact CG2-CE1 3.97Å; V66-F82 HydrophobicContact CG2-CG 3.88Å; A78-F82 WeakPolarHBondContact O-CB 3.47Å; A78-F82 PolarHBondContact O-N 2.86Å |
| 83 | L | 71.4 | Confident | 78.4 | Confident | 17 Ų | 17 | 78 Ų | 78 | 9% | 0.089 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -104.3 | 79.8 | -179.7 | -54.3 | -178.2 | 0 | 0 | 0 | 109.4 | I20 V79 F88 | I20-L83 HydrophobicContact CD1-CD1 3.41Å; I20-L83 VanDerWaalsContact CD1-CD1 3.41Å; I20-L83 HydrophobicContact CG1-CD1 4.18Å; V79-L83 HydrophobicContact CG1-CD1 3.64Å; V79-L83 HydrophobicContact CG1-CG 4.33Å; V79-L83 WeakPolarHBondContact O-CA 3.41Å; V79-L83 WeakPolarHBondContact O-CB 3.36Å; V79-L83 VanDerWaalsContact O-CG 3.27Å; V79-L83 WeakPolarHBondContact O-CG 3.27Å; V79-L83 PolarHBondContact O-N 3.01Å; L83-F88 HydrophobicContact CB-CD2 3.98Å; L83-F88 HydrophobicContact CB-CE2 3.28Å; L83-F88 HydrophobicContact CB-CZ 3.77Å; L83-F88 HydrophobicContact CD1-CZ 4.33Å; L83-F88 HydrophobicContact CD2-CE1 4.36Å; L83-F88 HydrophobicContact CD2-CE2 3.81Å; L83-F88 HydrophobicContact CD2-CZ 3.39Å; L83-F88 HydrophobicContact CG-CE2 4.03Å; L83-F88 HydrophobicContact CG-CZ 3.99Å |
| 84 | T | 65.3 | Low | 78.3 | Confident | 63 Ų | 63 | 77.6 Ų | 77.6 | 39% | 0.387 | 40% | 0.4 | S | S | . | . | trans | -77.2 | 149.5 | -179.7 | 68.6 | 0 | 0 | 0 | 0 | 111.6 | H86 D87 F88 | T84-H86 PolarHBondContact O-N 2.92Å; T84-D87 WeakPolarHBondContact O-CB 3.5Å; T84-D87 PolarHBondContact O-N 3.08Å; T84-D87 PolarHBondContact OG1-OD2 3.1Å; T84-F88 WeakPolarHBondContact O-CD2 3.38Å | ||
| 85 | D | 54.2 | Low | 78.2 | Confident | 149 Ų | 149 | 77.2 Ų | 77.2 | 80% | 0.797 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -49.5 | -27.5 | -178.3 | -73.7 | -24.6 | 0 | 0 | 0 | 114.1 | D87 F88 | D85-D87 VanDerWaalsContact C-N 3.27Å; D85-D87 PolarHBondContact O-N 3.22Å; D85-F88 PolarHBondContact O-N 2.76Å |
| 86 | H | 54.9 | Low | 78.1 | Confident | 181 Ų | 181 | 77.3 Ų | 77.3 | 84% | 0.838 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -68.5 | -22.3 | 177.5 | -69 | -53.8 | 0 | 0 | 0 | 114.4 | T84 | T84-H86 PolarHBondContact O-N 2.92Š|
| 87 | D | 54.7 | Low | 78.2 | Confident | 83 Ų | 83 | 76.7 Ų | 76.7 | 44% | 0.444 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -90.7 | -3.6 | 178.4 | -68 | -50.6 | 0 | 0 | 0 | 112.6 | R16 T84 D85 | R16-D87 PolarHBondContact NH1-O 3.46Å; T84-D87 WeakPolarHBondContact O-CB 3.5Å; T84-D87 PolarHBondContact O-N 3.08Å; T84-D87 PolarHBondContact OG1-OD2 3.1Å; D85-D87 VanDerWaalsContact C-N 3.27Å; D85-D87 PolarHBondContact O-N 3.22Å |
| 88 | F | 61.3 | Low | 78.4 | Confident | 36 Ų | 36 | 71 Ų | 71 | 16% | 0.158 | 36% | 0.364 | C | S | . | . | trans | -136.2 | 82.1 | -170.7 | -59 | -74.4 | 0 | 0 | 0 | 111.9 | R16 L83 T84 D85 N90 | R16-F88 HydrophobicContact CB-CD1 4.25Å; R16-F88 HydrophobicContact CG-CD1 4.22Å; R16-F88 HydrophobicContact CG-CE1 4.44Å; L83-F88 HydrophobicContact CB-CD2 3.98Å; L83-F88 HydrophobicContact CB-CE2 3.28Å; L83-F88 HydrophobicContact CB-CZ 3.77Å; L83-F88 HydrophobicContact CD1-CZ 4.33Å; L83-F88 HydrophobicContact CD2-CE1 4.36Å; L83-F88 HydrophobicContact CD2-CE2 3.81Å; L83-F88 HydrophobicContact CD2-CZ 3.39Å; L83-F88 HydrophobicContact CG-CE2 4.03Å; L83-F88 HydrophobicContact CG-CZ 3.99Å; T84-F88 WeakPolarHBondContact O-CD2 3.38Å; D85-F88 PolarHBondContact O-N 2.76Å; F88-N90 PolarHBondContact O-N 2.66Å | ||
| 89 | P | 62.2 | Low | 78.7 | Confident | 68 Ų | 68 | 70.1 Ų | 70.1 | 44% | 0.442 | 36% | 0.356 | S | S | . | . | trans | -51.9 | 141.1 | 160.9 | -17.8 | 29.8 | 0 | 0 | 0 | 108.6 | E91 | P89-E91 HydrophobicContact CB-CB 4.42Å; P89-E91 VanDerWaalsContact CB-CD 3.48Å; P89-E91 HydrophobicContact CB-CG 3.7Å; P89-E91 WeakPolarHBondContact CB-OE1 3.38Å; P89-E91 WeakPolarHBondContact CG-OE1 3.34Å; P89-E91 PolarHBondContact O-N 3.15Å | ||
| 90 | N | 69.5 | Low | 79.1 | Confident | 140 Ų | 140 | 69.9 Ų | 69.9 | 75% | 0.749 | 36% | 0.355 | S | S | * | . | trans | -75.3 | 45.9 | 178.8 | -147.4 | 12.9 | 0 | 0 | 0 | 111 | F88 | F88-N90 PolarHBondContact O-N 2.66Š| ||
| 91 | E | 79.2 | Confident | 79.7 | Confident | 111 Ų | 111 | 62.1 Ų | 62.1 | 52% | 0.519 | 32% | 0.321 | S | S | . | . | trans | -77.5 | 147.3 | -178.5 | -77.4 | 164.7 | -162 | 0 | 0 | 110.4 | P89 | P89-E91 HydrophobicContact CB-CB 4.42Å; P89-E91 VanDerWaalsContact CB-CD 3.48Å; P89-E91 HydrophobicContact CB-CG 3.7Å; P89-E91 WeakPolarHBondContact CB-OE1 3.38Å; P89-E91 WeakPolarHBondContact CG-OE1 3.34Å; P89-E91 PolarHBondContact O-N 3.15Å | ||
| 92 | L | 86.6 | Confident | 80.3 | Confident | 116 Ų | 116 | 56.2 Ų | 56.2 | 61% | 0.607 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 115.3 | 173.8 | -68.7 | 174.9 | 0 | 0 | 0 | 109.1 | P13 T15 | P13-L92 HydrophobicContact CB-CB 4.01Å; P13-L92 HydrophobicContact CB-CD1 4.25Å; P13-L92 HydrophobicContact CB-CD2 4.39Å; P13-L92 HydrophobicContact CB-CG 4.46Å; T15-L92 HydrophobicContact CG2-CD2 4.08Å |
| 93 | I | 88.4 | Confident | 81 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 4% | 0.041 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 116.1 | 177.4 | -55.3 | 163.5 | 0 | 0 | 0 | 107.3 | N9 V14 R16 I19 C46 T95 H96 | N9-I93 PolarHBondContact ND2-O 3.49Å; N9-I93 VanDerWaalsContact ND2-O 3.08Å; V14-I93 PolarHBondContact N-O 3.05Å; V14-I93 PolarHBondContact O-N 3.25Å; R16-I93 HydrophobicContact CB-CD1 3.81Å; R16-I93 HydrophobicContact CG-CD1 3.97Å; I19-I93 HydrophobicContact CD1-CB 4.43Å; I19-I93 HydrophobicContact CD1-CD1 3.9Å; C46-I93 HydrophobicContact CB-CG1 4.47Å; C46-I93 HydrophobicContact CB-CG2 4.11Å; C46-I93 WeakPolarHBondContact SG-CD1 3.32Å; C46-I93 VanDerWaalsContact SG-CG1 3.54Å; C46-I93 WeakPolarHBondContact SG-CG2 3.19Å; I93-T95 WeakPolarHBondContact CG2-O 3.37Å; I93-H96 HydrophobicContact CG2-CB 3.75Å |
| 94 | T | 90.9 | Very high | 81.9 | Confident | 59 Ų | 59 | 52.8 Ų | 52.8 | 36% | 0.362 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -32.7 | -176.6 | 54.8 | 0 | 0 | 0 | 0 | 112.7 | N9 Y10 Q11 V12 P13 | N9-T94 PolarHBondContact ND2-O 2.71Å; Y10-T94 CarbonylContact C-O 3.43Å; Q11-T94 WeakPolarHBondContact CA-O 3.46Å; Q11-T94 PolarHBondContact N-O 3.42Å; V12-T94 PolarHBondContact N-O 3.39Å; V12-T94 VanDerWaalsContact N-O 3.16Å; P13-T94 HydrophobicContact CB-CG2 4.33Å; P13-T94 HydrophobicContact CG-CG2 4.24Å |
| 95 | T | 92.1 | Very high | 82.7 | Confident | 40 Ų | 40 | 50.9 Ų | 50.9 | 25% | 0.245 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 123.7 | 177 | -62.1 | 0 | 0 | 0 | 0 | 110.9 | N9 Y10 I93 | N9-T95 VanDerWaalsContact O-CA 3.23Å; N9-T95 WeakPolarHBondContact O-CA 3.48Å; Y10-T95 HydrophobicContact CD2-CG2 3.77Å; Y10-T95 HydrophobicContact CE2-CG2 4.35Å; I93-T95 WeakPolarHBondContact CG2-O 3.37Å |
| 96 | H | 93.8 | Very high | 83.6 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 154.8 | 178.5 | -178.1 | -92.2 | 0 | 0 | 0 | 111.9 | L8 N9 I19 D43 I93 G98 | L8-H96 VanDerWaalsContact CA-O 3.26Å; L8-H96 WeakPolarHBondContact CA-O 3.4Å; N9-H96 PolarHBondContact N-O 3.31Å; N9-H96 PolarHBondContact O-N 3.06Å; N9-H96 WeakPolarHBondContact OD1-CB 3.36Å; I19-H96 HydrophobicContact CD1-CB 3.83Å; I19-H96 WeakPolarHBondContact CG2-ND1 3.43Å; D43-H96 PolarHBondContact N-NE2 3.31Å; D43-H96 VanDerWaalsContact N-NE2 3.16Å; D43-H96 IonicContact OD2-CD2 3.31Å; D43-H96 PolarHBondContact OD2-CD2 2.82Å; D43-H96 IonicContact OD2-NE2 2.72Å; D43-H96 PolarHBondContact OD2-NE2 3.33Å; D43-H96 VanDerWaalsContact OD2-NE2 3.1Å; I93-H96 HydrophobicContact CG2-CB 3.75Å; H96-G98 PolarHBondContact CE1-N 2.92Å; H96-G98 PolarHBondContact ND1-N 3.49Å |
| 97 | V | 95.8 | Very high | 84.6 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 119.9 | 170 | 178.5 | 0 | 0 | 0 | 0 | 109.1 | Y7 L8 I99 K198 C206 | Y7-V97 WeakPolarHBondContact O-CA 3.43Å; L8-V97 HydrophobicContact CB-CG2 4.25Å; L8-V97 HydrophobicContact CD1-CG2 3.71Å; L8-V97 HydrophobicContact CG-CG2 3.71Å; V97-I99 HydrophobicContact CG1-CG2 4.29Å; V97-K198 HydrophobicContact CB-CD 4.34Å; V97-K198 HydrophobicContact CG1-CB 4.46Å; V97-K198 HydrophobicContact CG1-CD 4.24Å; V97-K198 HydrophobicContact CG1-CG 4.42Å; V97-K198 WeakPolarHBondContact O-CD 3.44Å; V97-K198 WeakPolarHBondContact O-CE 3.46Å; V97-K198 PolarHBondContact O-NZ 3.39Å; V97-C206 HydrophobicContact CG1-CB 3.87Å; V97-C206 HydrophobicContact CG2-CB 4.19Å |
| 98 | G | 96.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 136.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | A6 Y7 A41 H96 | A6-G98 CarbonylContact C-O 3.57Å; A6-G98 WeakPolarHBondContact CA-O 3.43Å; A6-G98 WeakPolarHBondContact CB-O 3.17Å; Y7-G98 PolarHBondContact N-O 3.28Å; Y7-G98 PolarHBondContact O-N 3.37Å; A41-G98 WeakPolarHBondContact O-CA 3.38Å; H96-G98 PolarHBondContact CE1-N 2.92Å; H96-G98 PolarHBondContact ND1-N 3.49Å |
| 99 | I | 98.2 | Very high | 87 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 144.1 | 172.4 | 65.9 | 173.9 | 0 | 0 | 0 | 110.1 | A6 L40 A41 V97 P117 V127 V129 K198 | A6-I99 HydrophobicContact CB-CB 4.33Å; A6-I99 HydrophobicContact CB-CG2 3.8Å; L40-I99 CarbonylContact C-O 3.55Å; L40-I99 VanDerWaalsContact CA-O 3.24Å; L40-I99 WeakPolarHBondContact CA-O 3.41Å; A41-I99 HydrophobicContact CB-CD1 4.5Å; A41-I99 HydrophobicContact CB-CG1 3.92Å; A41-I99 PolarHBondContact N-O 2.98Å; A41-I99 PolarHBondContact O-N 3.45Å; A41-I99 VanDerWaalsContact O-N 3.14Å; V97-I99 HydrophobicContact CG1-CG2 4.29Å; I99-P117 HydrophobicContact CD1-CB 4.19Å; I99-P117 HydrophobicContact CD1-CG 4.15Å; I99-P117 HydrophobicContact CG1-CG 4.06Å; I99-V127 HydrophobicContact CD1-CB 4.35Å; I99-V127 HydrophobicContact CD1-CG2 3.76Å; I99-V129 HydrophobicContact CB-CG2 4.48Å; I99-V129 HydrophobicContact CD1-CG1 4.12Å; I99-V129 HydrophobicContact CG1-CG1 4.33Å; I99-K198 HydrophobicContact CD1-CB 4.17Å; I99-K198 HydrophobicContact CG2-CB 4.32Å |
| 100 | A | 98.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 152.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F5 L23 L27 G39 L40 | F5-A100 PolarHBondContact N-O 3.16Å; F5-A100 WeakPolarHBondContact O-CA 3.37Å; F5-A100 PolarHBondContact O-N 3.22Å; F5-A100 VanDerWaalsContact O-O 3.07Å; L23-A100 HydrophobicContact CB-CB 4.1Å; L23-A100 HydrophobicContact CD2-CB 4.12Å; L27-A100 HydrophobicContact CD1-CB 3.93Å; L27-A100 HydrophobicContact CD2-CB 3.74Å; L27-A100 HydrophobicContact CG-CB 3.83Å; G39-A100 CarbonylContact O-C 3.29Å; G39-A100 WeakPolarHBondContact O-CA 3.24Å; L40-A100 HydrophobicContact CB-CB 3.93Å |
| 101 | H | 98.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 142.7 | -176.5 | -167.6 | -104.2 | 0 | 0 | 0 | 113.6 | C2 G3 A38 G39 H116 V129 H130 N131 | C2-H101 WeakPolarHBondContact CB-NE2 3.31Å; G3-H101 CarbonylContact O-C 3.51Å; G3-H101 VanDerWaalsContact O-CA 3.26Å; G3-H101 WeakPolarHBondContact O-CA 3.5Å; G3-H101 PolarHBondContact O-CD2 3.4Å; A38-H101 CarbonylContact C-O 3.56Å; A38-H101 WeakPolarHBondContact CA-O 3.38Å; A38-H101 WeakPolarHBondContact CB-O 3.31Å; G39-H101 PolarHBondContact N-O 3.06Å; G39-H101 PolarHBondContact O-N 2.87Å; H101-H116 HydrophobicContact CB-CB 3.77Å; H101-H116 AromaticContact CD2-ND1 3.93Å; H101-H116 AromaticContact CE1-CE1 3.88Å; H101-H116 AromaticContact CE1-CG 3.91Å; H101-H116 AromaticContact CE1-ND1 3.2Å; H101-H116 PolarHBondContact CE1-ND1 2.99Å; H101-H116 AromaticContact CG-ND1 3.82Å; H101-H116 WeakPolarHBondContact ND1-CB 3.38Å; H101-H116 AromaticContact ND1-CG 3.63Å; H101-H116 AromaticContact ND1-ND1 3.37Å; H101-H116 PolarHBondContact ND1-ND1 3Å; H101-H116 AromaticContact NE2-ND1 3.55Å; H101-V129 HydrophobicContact CB-CB 3.94Å; H101-V129 HydrophobicContact CB-CG1 3.65Å; H101-H130 PolarHBondContact NE2-O 2.96Å; H101-N131 PolarHBondContact NE2-OD1 2.93Å |
| 102 | T | 96.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 133.4 | 160.9 | 50.8 | 0 | 0 | 0 | 0 | 110.3 | C2 G3 L27 G34 A38 V72 | C2-T102 CarbonylContact C-O 3.51Å; C2-T102 WeakPolarHBondContact CA-O 3.42Å; C2-T102 WeakPolarHBondContact CB-O 3.29Å; G3-T102 WeakPolarHBondContact CA-OG1 3.47Å; G3-T102 PolarHBondContact N-O 3.49Å; G3-T102 PolarHBondContact N-OG1 2.97Å; G3-T102 PolarHBondContact O-N 3.36Å; L27-T102 HydrophobicContact CB-CG2 4.04Å; L27-T102 HydrophobicContact CD1-CG2 4.3Å; L27-T102 HydrophobicContact CD2-CG2 4.15Å; L27-T102 HydrophobicContact CG-CG2 4.38Å; G34-T102 VanDerWaalsContact O-CB 3.24Å; G34-T102 WeakPolarHBondContact O-CB 3.36Å; A38-T102 HydrophobicContact CB-CG2 4.15Å; V72-T102 HydrophobicContact CG2-CG2 3.5Å |
| 103 | R | 93 | Very high | 90.6 | Very high | 6 Ų | 6 | 33.3 Ų | 33.3 | 2% | 0.023 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 132.7 | -171.9 | -170.3 | 177.1 | -172.2 | -99.3 | -5.6 | 111.7 | Y35 D36 S37 H107 N114 | Y35-R103 PolarHBondContact N-O 2.83Å; D36-R103 WeakPolarHBondContact CB-O 3.29Å; D36-R103 PolarHBondContact N-O 3.15Å; S37-R103 PolarHBondContact N-O 2.89Å; S37-R103 PolarHBondContact O-N 3.08Å; S37-R103 WeakPolarHBondContact OG-CB 3.35Å; R103-H107 PolarHBondContact NH2-O 2.99Å; R103-N114 WeakPolarHBondContact CD-O 3.41Å; R103-N114 PolarHBondContact NE-O 3.43Å |
| 104 | W | 88.5 | Confident | 91 | Very high | 43 Ų | 43 | 33 Ų | 33 | 16% | 0.163 | 18% | 0.184 | C | C | . | . | trans | -104 | 115.5 | 157.6 | 178.2 | 40 | 0 | 0 | 0 | 107.1 | C2 D36 T106 A695 V698 | C2-W104 PolarHBondContact SG-N 3.15Å; C2-W104 PolarHBondContact SG-O 3.1Å; C2-W104 VanDerWaalsContact SG-O 3.4Å; D36-W104 WeakPolarHBondContact OD2-CA 3.35Å; D36-W104 VanDerWaalsContact OD2-CD1 3.28Å; W104-T106 PolarHBondContact O-N 2.95Å; W104-A695 HydrophobicContact CB-CB 4.38Å; W104-A695 HydrophobicContact CD2-CB 3.51Å; W104-A695 HydrophobicContact CE3-CB 3.57Å; W104-A695 HydrophobicContact CG-CB 3.91Å; W104-A695 HydrophobicContact CH2-CB 4.38Å; W104-A695 HydrophobicContact CZ2-CB 4.36Å; W104-A695 HydrophobicContact CZ3-CB 4.01Å; W104-V698 HydrophobicContact CH2-CG2 4.11Å | ||
| 105 | A | 82.5 | Confident | 91.3 | Very high | 24 Ų | 24 | 30.2 Ų | 30.2 | 20% | 0.198 | 17% | 0.167 | C | C | . | . | trans | -77 | 117.5 | -167.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D36 P110 | D36-A105 PolarHBondContact OD2-N 2.96Å; A105-P110 HydrophobicContact CB-CG 3.78Å | ||
| 106 | T | 73.3 | Confident | 91.6 | Very high | 64 Ų | 64 | 28.6 Ų | 28.6 | 39% | 0.393 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -100.3 | -40.6 | 170.4 | 55.9 | 0 | 0 | 0 | 0 | 112.3 | W104 V700 | W104-T106 PolarHBondContact O-N 2.95Å; T106-V700 HydrophobicContact CG2-CG2 3.93Å |
| 107 | H | 75.4 | Confident | 91.8 | Very high | 61 Ų | 61 | 28.5 Ų | 28.5 | 28% | 0.282 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -116.8 | 129.9 | 177.4 | -68.6 | 75.6 | 0 | 0 | 0 | 110.9 | R103 | R103-H107 PolarHBondContact NH2-O 2.99Š|
| 108 | G | 79.5 | Confident | 91.9 | Very high | 29 Ų | 29 | 28.6 Ų | 28.6 | 30% | 0.299 | 16% | 0.156 | S | C | . | . | S | Bend | trans | 72.9 | 150.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E154 | G108-E154 WeakPolarHBondContact CA-OE2 3.4Š|
| 109 | E | 88.3 | Confident | 91.9 | Very high | 116 Ų | 116 | 31.2 Ų | 31.2 | 54% | 0.542 | 17% | 0.166 | S | C | . | . | trans | -63.6 | 152 | -179.1 | 58.6 | 162.1 | -156 | 0 | 0 | 112.2 | N111 N114 | E109-N111 WeakPolarHBondContact CG-ND2 3.41Å; E109-N111 PolarHBondContact O-N 3.43Å; E109-N111 PolarHBondContact OE1-ND2 3.41Å; E109-N114 PolarHBondContact O-ND2 2.93Å | ||
| 110 | P | 89.8 | Confident | 91.8 | Very high | 38 Ų | 38 | 31.5 Ų | 31.5 | 25% | 0.247 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -63 | 104.5 | 167.9 | -22.7 | 33.2 | 0 | 0 | 0 | 111.7 | D36 K69 A105 | D36-P110 HydrophobicContact CB-CB 3.92Å; D36-P110 HydrophobicContact CB-CG 3.93Å; K69-P110 VanDerWaalsContact CD-O 3.23Å; K69-P110 WeakPolarHBondContact CD-O 3.23Å; K69-P110 WeakPolarHBondContact CE-O 3.47Å; K69-P110 PolarHBondContact NZ-O 2.87Å; A105-P110 HydrophobicContact CB-CG 3.78Å |
| 111 | N | 93.5 | Very high | 91.6 | Very high | 34 Ų | 34 | 32 Ų | 32 | 18% | 0.182 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -147.7 | 173.8 | 173.1 | 67.5 | 33.2 | 0 | 0 | 0 | 110.5 | E109 V113 N114 A115 | E109-N111 WeakPolarHBondContact CG-ND2 3.41Å; E109-N111 PolarHBondContact O-N 3.43Å; E109-N111 PolarHBondContact OE1-ND2 3.41Å; N111-V113 VanDerWaalsContact C-N 3.34Å; N111-V113 PolarHBondContact O-N 3.3Å; N111-V113 PolarHBondContact OD1-N 3.42Å; N111-V113 VanDerWaalsContact OD1-N 3.14Å; N111-N114 PolarHBondContact O-N 2.88Å; N111-N114 WeakPolarHBondContact OD1-CB 3.35Å; N111-N114 PolarHBondContact OD1-N 3.32Å; N111-A115 PolarHBondContact O-N 2.55Å; N111-A115 VanDerWaalsContact O-N 3.16Å |
| 112 | E | 94.4 | Very high | 91.3 | Very high | 114 Ų | 114 | 37 Ų | 37 | 53% | 0.533 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -37.1 | -177.9 | -171.9 | -177.5 | 149.3 | 0 | 0 | 112.9 | R67 A115 | R67-E112 HydrophobicContact CB-CG 3.74Å; R67-E112 WeakPolarHBondContact CD-O 3.39Å; E112-A115 WeakPolarHBondContact O-CB 3.49Å; E112-A115 PolarHBondContact O-N 3.01Å |
| 113 | V | 96 | Very high | 90.9 | Very high | 59 Ų | 59 | 39.8 Ų | 39.8 | 36% | 0.358 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -39 | -178 | -179.7 | 0 | 0 | 0 | 0 | 111.5 | R67 N111 Q118 E152 | R67-V113 PolarHBondContact NH1-O 3.16Å; R67-V113 VanDerWaalsContact NH1-O 3.17Å; N111-V113 VanDerWaalsContact C-N 3.34Å; N111-V113 PolarHBondContact O-N 3.3Å; N111-V113 PolarHBondContact OD1-N 3.42Å; N111-V113 VanDerWaalsContact OD1-N 3.14Å; V113-Q118 PolarHBondContact O-NE2 2.86Å; V113-E152 HydrophobicContact CG1-CB 4.45Å; V113-E152 VanDerWaalsContact CG1-O 3.26Å; V113-E152 WeakPolarHBondContact CG1-O 3.36Å |
| 114 | N | 96.4 | Very high | 90.9 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.011 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -13.3 | 178.9 | -70.3 | -23.6 | 0 | 0 | 0 | 113 | R103 E109 N111 S153 E154 T155 | R103-N114 WeakPolarHBondContact CD-O 3.41Å; R103-N114 PolarHBondContact NE-O 3.43Å; E109-N114 PolarHBondContact O-ND2 2.93Å; N111-N114 PolarHBondContact O-N 2.88Å; N111-N114 WeakPolarHBondContact OD1-CB 3.35Å; N111-N114 PolarHBondContact OD1-N 3.32Å; N114-S153 WeakPolarHBondContact OD1-CB 3.1Å; N114-E154 PolarHBondContact OD1-N 3.22Å; N114-T155 HydrophobicContact CB-CG2 3.74Å; N114-T155 WeakPolarHBondContact O-CG2 3.38Å |
| 115 | A | 96.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -67.1 | 149.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | R67 N111 E112 Q118 | R67-A115 HydrophobicContact CB-CB 4Å; R67-A115 WeakPolarHBondContact CD-O 3.4Å; R67-A115 HydrophobicContact CG-CB 4.11Å; N111-A115 PolarHBondContact O-N 2.55Å; N111-A115 VanDerWaalsContact O-N 3.16Å; E112-A115 WeakPolarHBondContact O-CB 3.49Å; E112-A115 PolarHBondContact O-N 3.01Å; A115-Q118 PolarHBondContact O-NE2 3.04Å |
| 116 | H | 97.4 | Very high | 91.9 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 2% | 0.023 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -92 | 156.8 | 174.7 | -60.3 | 174.2 | 0 | 0 | 0 | 109.9 | G39 H101 V129 H130 T157 | G39-H116 WeakPolarHBondContact CA-O 3.29Å; G39-H116 PolarHBondContact N-O 2.82Å; H101-H116 HydrophobicContact CB-CB 3.77Å; H101-H116 AromaticContact CD2-ND1 3.93Å; H101-H116 AromaticContact CE1-CE1 3.88Å; H101-H116 AromaticContact CE1-CG 3.91Å; H101-H116 AromaticContact CE1-ND1 3.2Å; H101-H116 PolarHBondContact CE1-ND1 2.99Å; H101-H116 AromaticContact CG-ND1 3.82Å; H101-H116 WeakPolarHBondContact ND1-CB 3.38Å; H101-H116 AromaticContact ND1-CG 3.63Å; H101-H116 AromaticContact ND1-ND1 3.37Å; H101-H116 PolarHBondContact ND1-ND1 3Å; H101-H116 AromaticContact NE2-ND1 3.55Å; H116-V129 HydrophobicContact CB-CG1 4.25Å; H116-H130 PolarHBondContact CE1-O 3.49Å; H116-H130 PolarHBondContact ND1-N 3.36Å; H116-H130 PolarHBondContact ND1-O 2.91Å; H116-T157 PolarHBondContact CE1-OG1 2.69Å; H116-T157 WeakPolarHBondContact NE2-CB 3.38Å; H116-T157 PolarHBondContact NE2-OG1 3.46Å |
| 117 | P | 97.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.188 | C | C | . | . | S | Bend | cis | -66.6 | 139.2 | 2.9 | -21.9 | 33.6 | 0 | 0 | 0 | 114.8 | A41 I99 V127 V128 V129 | A41-P117 HydrophobicContact CB-CB 4.44Å; A41-P117 HydrophobicContact CB-CG 3.87Å; I99-P117 HydrophobicContact CD1-CB 4.19Å; I99-P117 HydrophobicContact CD1-CG 4.15Å; I99-P117 HydrophobicContact CG1-CG 4.06Å; P117-V127 HydrophobicContact CB-CB 4.25Å; P117-V128 CarbonylContact C-O 3.03Å; P117-V128 VanDerWaalsContact CA-O 3.25Å; P117-V128 WeakPolarHBondContact CA-O 3.47Å; P117-V129 HydrophobicContact CB-CG1 3.96Å; P117-V129 HydrophobicContact CG-CG1 3.65Å |
| 118 | Q | 98.1 | Very high | 94.2 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 150.3 | 168 | -72 | -63.3 | -20.7 | 0 | 0 | 109.9 | V113 A115 V127 V128 T155 T157 E158 P161 | V113-Q118 PolarHBondContact O-NE2 2.86Å; A115-Q118 PolarHBondContact O-NE2 3.04Å; Q118-V127 CarbonylContact O-C 3.58Å; Q118-V127 VanDerWaalsContact O-CA 3.27Å; Q118-V127 WeakPolarHBondContact O-CA 3.4Å; Q118-V128 HydrophobicContact CB-CG1 4.44Å; Q118-V128 PolarHBondContact N-O 2.94Å; Q118-V128 PolarHBondContact O-N 3Å; Q118-T155 PolarHBondContact NE2-OG1 3.42Å; Q118-T157 HydrophobicContact CB-CG2 3.93Å; Q118-T157 HydrophobicContact CG-CG2 3.7Å; Q118-E158 HydrophobicContact CG-CB 4.43Å; Q118-P161 HydrophobicContact CB-CG 4.24Å |
| 119 | R | 97.3 | Very high | 95.1 | Very high | 56 Ų | 56 | 29.8 Ų | 29.8 | 21% | 0.211 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 152.5 | -171.1 | 61.7 | -177.3 | 177 | -175.8 | -0.9 | 113.1 | G121 N124 F126 V127 E152 | R119-G121 WeakPolarHBondContact CD-O 3.5Å; R119-N124 WeakPolarHBondContact CD-OD1 3.47Å; R119-F126 CarbonylContact C-O 3.55Å; R119-F126 WeakPolarHBondContact CA-O 3.38Å; R119-V127 HydrophobicContact CB-CG1 4.12Å; R119-E152 IonicContact CZ-OE2 3.66Å; R119-E152 IonicContact NE-OE1 3.19Å; R119-E152 IonicContact NE-OE2 3.49Å; R119-E152 PolarHBondContact NE-OE2 3.36Å; R119-E152 IonicContact NH2-OE1 3.42Å; R119-E152 IonicContact NH2-OE2 2.73Å; R119-E152 PolarHBondContact NH2-OE2 3.29Å |
| 120 | S | 97 | Very high | 95.5 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 4% | 0.035 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -70.2 | -42 | 176.9 | 56 | 0 | 0 | 0 | 0 | 112.5 | G125 F126 P161 K162 Q165 | S120-G125 PolarHBondContact OG-N 3.21Å; S120-F126 PolarHBondContact N-O 3.47Å; S120-F126 PolarHBondContact OG-N 2.9Å; S120-P161 VanDerWaalsContact CB-O 3.3Å; S120-P161 WeakPolarHBondContact CB-O 3.4Å; S120-K162 WeakPolarHBondContact O-CG 3.46Å; S120-K162 PolarHBondContact O-NZ 3.43Å; S120-Q165 PolarHBondContact OG-OE1 3.41Å; S120-Q165 VanDerWaalsContact OG-OE1 3.07Å |
| 121 | G | 93.4 | Very high | 95.8 | Very high | 10 Ų | 10 | 22.6 Ų | 22.6 | 10% | 0.103 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -161.1 | -175.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R119 D123 N124 | R119-G121 WeakPolarHBondContact CD-O 3.5Å; G121-D123 PolarHBondContact O-N 3.07Å; G121-N124 PolarHBondContact O-N 3.47Å |
| 122 | P | 91.3 | Very high | 95.7 | Very high | 108 Ų | 108 | 21.7 Ų | 21.7 | 70% | 0.701 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22.7 | -177.1 | -24.1 | 34.6 | 0 | 0 | 0 | 114.5 | N124 | P122-N124 VanDerWaalsContact C-N 3.3Š|
| 123 | D | 89.5 | Confident | 95.6 | Very high | 59 Ų | 59 | 17.4 Ų | 17.4 | 32% | 0.316 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -8.9 | 178 | 70.7 | -32 | 0 | 0 | 0 | 112.5 | T61 G121 G125 | T61-D123 WeakPolarHBondContact CB-O 3.4Å; T61-D123 HydrophobicContact CG2-CB 4Å; T61-D123 WeakPolarHBondContact CG2-O 3.38Å; G121-D123 PolarHBondContact O-N 3.07Å; D123-G125 VanDerWaalsContact C-N 3.28Å; D123-G125 PolarHBondContact O-N 3.01Å; D123-G125 PolarHBondContact OD1-N 3.4Å |
| 124 | N | 93.4 | Very high | 95.6 | Very high | 16 Ų | 16 | 14.6 Ų | 14.6 | 9% | 0.086 | 9% | 0.086 | C | C | . | . | trans | 58.3 | 35.7 | -175.2 | -52.8 | -40.4 | 0 | 0 | 0 | 113.2 | I63 R119 G121 P122 F126 V127 | I63-N124 HydrophobicContact CB-CB 4.16Å; I63-N124 HydrophobicContact CG2-CB 4.3Å; I63-N124 PolarHBondContact O-ND2 2.9Å; R119-N124 WeakPolarHBondContact CD-OD1 3.47Å; G121-N124 PolarHBondContact O-N 3.47Å; P122-N124 VanDerWaalsContact C-N 3.3Å; N124-F126 VanDerWaalsContact C-N 3.31Å; N124-F126 PolarHBondContact O-N 2.94Å; N124-V127 HydrophobicContact CB-CG1 4.05Å | ||
| 125 | G | 94.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -51.7 | -45.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S120 D123 S199 C200 | S120-G125 PolarHBondContact OG-N 3.21Å; D123-G125 VanDerWaalsContact C-N 3.28Å; D123-G125 PolarHBondContact O-N 3.01Å; D123-G125 PolarHBondContact OD1-N 3.4Å; G125-S199 VanDerWaalsContact O-CA 3.28Å; G125-S199 WeakPolarHBondContact O-CA 3.25Å; G125-S199 WeakPolarHBondContact O-CB 3.44Å; G125-S199 PolarHBondContact O-OG 3.28Å; G125-C200 PolarHBondContact O-N 3.12Å |
| 126 | F | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 138.8 | 167.6 | -66.7 | -90 | 0 | 0 | 0 | 110 | R119 S120 N124 P161 M164 Q165 Y168 F178 V181 S199 Y201 Y202 | R119-F126 CarbonylContact C-O 3.55Å; R119-F126 WeakPolarHBondContact CA-O 3.38Å; S120-F126 PolarHBondContact N-O 3.47Å; S120-F126 PolarHBondContact OG-N 2.9Å; N124-F126 VanDerWaalsContact C-N 3.31Å; N124-F126 PolarHBondContact O-N 2.94Å; F126-P161 HydrophobicContact CB-CB 4.18Å; F126-M164 HydrophobicContact CB-CB 4.14Å; F126-M164 HydrophobicContact CB-SD 4.39Å; F126-M164 HydrophobicContact CD1-CB 3.74Å; F126-M164 HydrophobicContact CD1-CG 4.45Å; F126-M164 HydrophobicContact CD1-SD 4.12Å; F126-M164 HydrophobicContact CD2-CB 4.01Å; F126-M164 HydrophobicContact CE1-CB 4.12Å; F126-M164 HydrophobicContact CE2-CB 4.36Å; F126-M164 HydrophobicContact CG-CB 3.69Å; F126-M164 HydrophobicContact CZ-CB 4.41Å; F126-Q165 HydrophobicContact CD2-CB 4.12Å; F126-Q165 HydrophobicContact CE2-CB 4.49Å; F126-Y168 HydrophobicContact CE2-CD1 4.42Å; F126-Y168 HydrophobicContact CE2-CD2 4.5Å; F126-Y168 AromaticContact CE2-CG 3.95Å; F126-Y168 HydrophobicContact CE2-CG 3.95Å; F126-Y168 HydrophobicContact CZ-CD2 4.05Å; F126-Y168 AromaticContact CZ-CG 3.93Å; F126-Y168 HydrophobicContact CZ-CG 3.93Å; F126-F178 AromaticContact CD1-CE2 3.96Å; F126-F178 HydrophobicContact CD1-CE2 3.96Å; F126-F178 HydrophobicContact CE1-CD2 4.19Å; F126-F178 AromaticContact CE1-CE2 3.83Å; F126-F178 HydrophobicContact CE1-CE2 3.83Å; F126-V181 HydrophobicContact CE1-CG1 4.28Å; F126-V181 HydrophobicContact CZ-CG1 4.46Å; F126-S199 WeakPolarHBondContact CE1-OG 3.34Å; F126-Y201 HydrophobicContact CD2-CD2 4.16Å; F126-Y201 AromaticContact CD2-CE2 3.9Å; F126-Y201 HydrophobicContact CD2-CE2 3.9Å; F126-Y201 HydrophobicContact CE1-CD2 4.41Å; F126-Y201 AromaticContact CE2-CD2 3.48Å; F126-Y201 HydrophobicContact CE2-CD2 3.48Å; F126-Y201 VanDerWaalsContact CE2-CD2 3.48Å; F126-Y201 AromaticContact CE2-CE2 3.45Å; F126-Y201 HydrophobicContact CE2-CE2 3.45Å; F126-Y201 VanDerWaalsContact CE2-CE2 3.45Å; F126-Y201 AromaticContact CZ-CD2 3.62Å; F126-Y201 HydrophobicContact CZ-CD2 3.62Å; F126-Y201 HydrophobicContact CZ-CE2 4.1Å; F126-Y202 HydrophobicContact CE1-CD2 4.26Å; F126-Y202 HydrophobicContact CE1-CE2 4.06Å; F126-Y202 HydrophobicContact CZ-CE2 4.08Å |
| 127 | V | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 143.4 | 172.6 | -64 | 0 | 0 | 0 | 0 | 110.5 | A41 I63 V65 I99 P117 Q118 R119 N124 K198 | A41-V127 HydrophobicContact CB-CG2 4.19Å; I63-V127 HydrophobicContact CD1-CG2 4.48Å; I63-V127 HydrophobicContact CG2-CG1 4.38Å; I63-V127 HydrophobicContact CG2-CG2 4.32Å; V65-V127 HydrophobicContact CG2-CG1 3.94Å; I99-V127 HydrophobicContact CD1-CB 4.35Å; I99-V127 HydrophobicContact CD1-CG2 3.76Å; P117-V127 HydrophobicContact CB-CB 4.25Å; Q118-V127 CarbonylContact O-C 3.58Å; Q118-V127 VanDerWaalsContact O-CA 3.27Å; Q118-V127 WeakPolarHBondContact O-CA 3.4Å; R119-V127 HydrophobicContact CB-CG1 4.12Å; N124-V127 HydrophobicContact CB-CG1 4.05Å; V127-K198 HydrophobicContact CG2-CB 3.81Å; V127-K198 HydrophobicContact CG2-CG 4.28Å; V127-K198 WeakPolarHBondContact CG2-O 3.32Å; V127-K198 PolarHBondContact N-O 3.3Å; V127-K198 PolarHBondContact O-N 2.9Å |
| 128 | V | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 145.3 | -178.2 | 67 | 0 | 0 | 0 | 0 | 112 | P117 Q118 T157 I160 P161 L195 A196 T197 | P117-V128 CarbonylContact C-O 3.03Å; P117-V128 VanDerWaalsContact CA-O 3.25Å; P117-V128 WeakPolarHBondContact CA-O 3.47Å; Q118-V128 HydrophobicContact CB-CG1 4.44Å; Q118-V128 PolarHBondContact N-O 2.94Å; Q118-V128 PolarHBondContact O-N 3Å; V128-T157 HydrophobicContact CG1-CG2 4.09Å; V128-I160 HydrophobicContact CB-CG2 4.49Å; V128-I160 HydrophobicContact CG1-CB 4.19Å; V128-I160 HydrophobicContact CG1-CG2 4.09Å; V128-I160 HydrophobicContact CG2-CG2 4.19Å; V128-P161 HydrophobicContact CG1-CB 4.13Å; V128-P161 HydrophobicContact CG1-CG 3.94Å; V128-L195 HydrophobicContact CG2-CB 4.24Å; V128-L195 HydrophobicContact CG2-CD2 4.15Å; V128-A196 WeakPolarHBondContact CA-O 3.4Å; V128-T197 HydrophobicContact CB-CG2 4.28Å; V128-T197 HydrophobicContact CG2-CG2 3.73Å |
| 129 | V | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 139.1 | 163.9 | -62.4 | 0 | 0 | 0 | 0 | 109.3 | I4 I99 H101 H116 P117 L195 A196 | I4-V129 HydrophobicContact CB-CG2 4.42Å; I4-V129 HydrophobicContact CD1-CG2 4.37Å; I4-V129 HydrophobicContact CG1-CB 4.32Å; I4-V129 HydrophobicContact CG1-CG2 3.93Å; I4-V129 HydrophobicContact CG2-CG2 3.77Å; I99-V129 HydrophobicContact CB-CG2 4.48Å; I99-V129 HydrophobicContact CD1-CG1 4.12Å; I99-V129 HydrophobicContact CG1-CG1 4.33Å; H101-V129 HydrophobicContact CB-CB 3.94Å; H101-V129 HydrophobicContact CB-CG1 3.65Å; H116-V129 HydrophobicContact CB-CG1 4.25Å; P117-V129 HydrophobicContact CB-CG1 3.96Å; P117-V129 HydrophobicContact CG-CG1 3.65Å; V129-L195 WeakPolarHBondContact O-CA 3.38Å; V129-A196 HydrophobicContact CG2-CB 3.68Å; V129-A196 PolarHBondContact N-O 3.12Å; V129-A196 PolarHBondContact O-N 3.43Å |
| 130 | H | 97.2 | Very high | 95.2 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 132.4 | -169.9 | 169.4 | -132.7 | 0 | 0 | 0 | 111.8 | H101 H116 G132 D156 T157 I160 F193 A194 L195 | H101-H130 PolarHBondContact NE2-O 2.96Å; H116-H130 PolarHBondContact CE1-O 3.49Å; H116-H130 PolarHBondContact ND1-N 3.36Å; H116-H130 PolarHBondContact ND1-O 2.91Å; H130-G132 VanDerWaalsContact CE1-C 3.42Å; H130-G132 PolarHBondContact CE1-O 3.12Å; H130-G132 WeakPolarHBondContact NE2-CA 3.47Å; H130-D156 IonicContact CE1-OD2 2.87Å; H130-T157 HydrophobicContact CB-CG2 3.49Å; H130-T157 VanDerWaalsContact CB-CG2 3.49Å; H130-T157 PolarHBondContact ND1-OG1 2.93Å; H130-I160 HydrophobicContact CB-CD1 4.45Å; H130-F193 WeakPolarHBondContact NE2-CB 3.44Å; H130-A194 WeakPolarHBondContact CA-O 3.49Å; H130-L195 HydrophobicContact CB-CD2 3.75Å; H130-L195 VanDerWaalsContact CD2-CD2 3.44Å; H130-L195 WeakPolarHBondContact CD2-CD2 3.37Å |
| 131 | N | 95.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 122.7 | 165.1 | -74.5 | 0.6 | 0 | 0 | 0 | 108.7 | C2 I4 H101 F193 A194 S283 | C2-N131 WeakPolarHBondContact CB-OD1 3.44Å; C2-N131 PolarHBondContact O-ND2 3.32Å; I4-N131 HydrophobicContact CD1-CB 3.97Å; I4-N131 WeakPolarHBondContact CG1-OD1 3.33Å; H101-N131 PolarHBondContact NE2-OD1 2.93Å; N131-F193 CarbonylContact O-C 3.5Å; N131-F193 VanDerWaalsContact O-C 3.31Å; N131-F193 VanDerWaalsContact O-CA 3.23Å; N131-F193 WeakPolarHBondContact O-CA 3.5Å; N131-A194 HydrophobicContact CB-CB 4.37Å; N131-A194 PolarHBondContact N-O 3.07Å; N131-A194 PolarHBondContact O-N 3.3Å; N131-S283 VanDerWaalsContact ND2-CB 3.26Å; N131-S283 WeakPolarHBondContact ND2-CB 3.41Å; N131-S283 PolarHBondContact ND2-OG 2.93Å |
| 132 | G | 92.4 | Very high | 95.4 | Very high | 15 Ų | 15 | 33.8 Ų | 33.8 | 16% | 0.155 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 138.8 | -165.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | H130 S192 | H130-G132 VanDerWaalsContact CE1-C 3.42Å; H130-G132 PolarHBondContact CE1-O 3.12Å; H130-G132 WeakPolarHBondContact NE2-CA 3.47Å; G132-S192 CarbonylContact C-O 3.59Å; G132-S192 WeakPolarHBondContact CA-O 3.17Å |
| 133 | I | 92.7 | Very high | 95.7 | Very high | 24 Ų | 24 | 30.1 Ų | 30.1 | 12% | 0.123 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 125.8 | 171.7 | -64.1 | 175.2 | 0 | 0 | 0 | 108 | T135 D156 S192 V700 E701 | I133-T135 HydrophobicContact CG2-CG2 4.33Å; I133-T135 PolarHBondContact O-N 2.86Å; I133-D156 WeakPolarHBondContact CA-OD2 3.46Å; I133-S192 CarbonylContact C-O 3.52Å; I133-S192 PolarHBondContact N-O 2.98Å; I133-S192 PolarHBondContact O-N 3.17Å; I133-S192 VanDerWaalsContact O-O 3.09Å; I133-V700 HydrophobicContact CD1-CB 3.68Å; I133-V700 HydrophobicContact CD1-CG1 4.45Å; I133-V700 HydrophobicContact CD1-CG2 3.97Å; I133-V700 HydrophobicContact CG1-CB 3.91Å; I133-V700 HydrophobicContact CG1-CG1 4.12Å; I133-V700 HydrophobicContact CG1-CG2 4.3Å; I133-E701 VanDerWaalsContact CD1-O 3.32Å; I133-E701 WeakPolarHBondContact CD1-O 3.49Å |
| 134 | I | 95.2 | Very high | 96 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 100.7 | 169.2 | -51.6 | -52.4 | 0 | 0 | 0 | 108.5 | N136 H137 L140 D156 V159 I160 L189 E190 F193 | I134-N136 VanDerWaalsContact C-N 3.3Å; I134-N136 VanDerWaalsContact CG2-OD1 3.32Å; I134-N136 WeakPolarHBondContact CG2-OD1 3.45Å; I134-N136 PolarHBondContact O-N 3.43Å; I134-H137 HydrophobicContact CB-CB 4.18Å; I134-H137 HydrophobicContact CG2-CB 4.12Å; I134-H137 WeakPolarHBondContact O-CB 3.27Å; I134-H137 PolarHBondContact O-N 3.22Å; I134-H137 PolarHBondContact O-ND1 3.16Å; I134-L140 HydrophobicContact CG2-CD1 4.2Å; I134-D156 HydrophobicContact CB-CB 4.3Å; I134-D156 PolarHBondContact N-OD2 2.64Å; I134-V159 HydrophobicContact CG2-CG2 4.47Å; I134-I160 HydrophobicContact CD1-CD1 4.11Å; I134-I160 HydrophobicContact CG1-CD1 3.99Å; I134-I160 HydrophobicContact CG1-CG1 4.38Å; I134-L189 HydrophobicContact CD1-CB 4.33Å; I134-L189 HydrophobicContact CD1-CD1 4.05Å; I134-L189 HydrophobicContact CD1-CD2 4.41Å; I134-L189 HydrophobicContact CD1-CG 4.48Å; I134-L189 HydrophobicContact CG2-CD2 4.04Å; I134-E190 CarbonylContact C-O 3.46Å; I134-E190 WeakPolarHBondContact CA-O 3.46Å; I134-F193 HydrophobicContact CD1-CB 3.85Å; I134-F193 HydrophobicContact CD1-CD1 3.94Å; I134-F193 HydrophobicContact CD1-CG 4.24Å |
| 135 | T | 93.8 | Very high | 96.2 | Very high | 84 Ų | 84 | 29.5 Ų | 29.5 | 52% | 0.515 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -26.6 | -172.9 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | I133 E190 G191 | I133-T135 HydrophobicContact CG2-CG2 4.33Å; I133-T135 PolarHBondContact O-N 2.86Å; T135-E190 PolarHBondContact N-O 2.97Å; T135-E190 WeakPolarHBondContact OG1-CB 3.13Å; T135-E190 PolarHBondContact OG1-O 3.05Å; T135-G191 PolarHBondContact OG1-N 3.16Å |
| 136 | N | 96.5 | Very high | 96.3 | Very high | 17 Ų | 17 | 39 Ų | 39 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 20.2 | 176.5 | 70.2 | -24.9 | 0 | 0 | 0 | 113.7 | I134 I138 D139 L140 Q188 E190 | I134-N136 VanDerWaalsContact C-N 3.3Å; I134-N136 VanDerWaalsContact CG2-OD1 3.32Å; I134-N136 WeakPolarHBondContact CG2-OD1 3.45Å; I134-N136 PolarHBondContact O-N 3.43Å; N136-I138 PolarHBondContact O-N 3.29Å; N136-D139 PolarHBondContact O-N 3.34Å; N136-L140 PolarHBondContact O-N 2.7Å; N136-Q188 PolarHBondContact ND2-O 3.38Å; N136-E190 HydrophobicContact CB-CB 3.97Å; N136-E190 HydrophobicContact CB-CG 4.2Å; N136-E190 PolarHBondContact OD1-N 3.38Å |
| 137 | H | 95.7 | Very high | 96.2 | Very high | 32 Ų | 32 | 44.7 Ų | 44.7 | 15% | 0.148 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.6 | -28.6 | -177.3 | 70.5 | -85.6 | 0 | 0 | 0 | 113.5 | I134 R141 D156 V159 | I134-H137 HydrophobicContact CB-CB 4.18Å; I134-H137 HydrophobicContact CG2-CB 4.12Å; I134-H137 WeakPolarHBondContact O-CB 3.27Å; I134-H137 PolarHBondContact O-N 3.22Å; I134-H137 PolarHBondContact O-ND1 3.16Å; H137-R141 WeakPolarHBondContact O-CB 3.44Å; H137-R141 PolarHBondContact O-N 3.06Å; H137-D156 HydrophobicContact CB-CB 3.75Å; H137-V159 HydrophobicContact CB-CG1 4.21Å; H137-V159 HydrophobicContact CB-CG2 4.4Å |
| 138 | I | 95.9 | Very high | 96.1 | Very high | 117 Ų | 117 | 47.6 Ų | 47.6 | 60% | 0.6 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.3 | -47.1 | 177.7 | -62.3 | 176.2 | 0 | 0 | 0 | 110.2 | N136 R141 A142 | N136-I138 PolarHBondContact O-N 3.29Å; I138-R141 PolarHBondContact O-N 2.76Å; I138-A142 WeakPolarHBondContact O-CB 3.38Å; I138-A142 PolarHBondContact O-N 3.29Å |
| 139 | D | 96.9 | Very high | 96 | Very high | 115 Ų | 115 | 49.7 Ų | 49.7 | 62% | 0.615 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -67.7 | -42.4 | -179.9 | -64.2 | -45 | 0 | 0 | 0 | 111.5 | N136 A142 L143 | N136-D139 PolarHBondContact O-N 3.34Å; D139-A142 PolarHBondContact O-N 3.4Å; D139-L143 WeakPolarHBondContact O-CB 3.39Å; D139-L143 PolarHBondContact O-N 2.91Å |
| 140 | L | 97.1 | Very high | 95.8 | Very high | 11 Ų | 11 | 56.2 Ų | 56.2 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 176 | -65.3 | 178.9 | 0 | 0 | 0 | 111.7 | I134 N136 A142 L143 L144 V159 F163 L189 | I134-L140 HydrophobicContact CG2-CD1 4.2Å; N136-L140 PolarHBondContact O-N 2.7Å; L140-A142 VanDerWaalsContact C-N 3.35Å; L140-A142 PolarHBondContact O-N 3.23Å; L140-L143 PolarHBondContact O-N 3.16Å; L140-L144 WeakPolarHBondContact O-CB 3.5Å; L140-L144 WeakPolarHBondContact O-CD1 3.45Å; L140-L144 VanDerWaalsContact O-CG 3.3Å; L140-L144 WeakPolarHBondContact O-CG 3.17Å; L140-L144 PolarHBondContact O-N 3.33Å; L140-V159 HydrophobicContact CB-CB 4.06Å; L140-V159 HydrophobicContact CB-CG1 4.3Å; L140-V159 HydrophobicContact CB-CG2 4.17Å; L140-V159 HydrophobicContact CD1-CG2 3.9Å; L140-F163 HydrophobicContact CD2-CD1 4.06Å; L140-F163 HydrophobicContact CD2-CE1 3.64Å; L140-L189 HydrophobicContact CD1-CD2 3.71Å |
| 141 | R | 97.4 | Very high | 95.8 | Very high | 61 Ų | 61 | 57.7 Ų | 57.7 | 23% | 0.23 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 176 | -176.5 | 175.8 | -77.3 | -114.4 | 2.6 | 111.1 | H137 I138 L144 S145 F151 S153 T155 E158 V159 | H137-R141 WeakPolarHBondContact O-CB 3.44Å; H137-R141 PolarHBondContact O-N 3.06Å; I138-R141 PolarHBondContact O-N 2.76Å; R141-L144 PolarHBondContact O-N 2.95Å; R141-S145 VanDerWaalsContact O-CB 3.28Å; R141-S145 WeakPolarHBondContact O-CB 3.47Å; R141-S145 PolarHBondContact O-N 2.87Å; R141-S145 PolarHBondContact O-OG 3Å; R141-F151 HydrophobicContact CB-CE1 4.37Å; R141-F151 HydrophobicContact CB-CE2 4.43Å; R141-F151 HydrophobicContact CB-CZ 4.07Å; R141-F151 HydrophobicContact CG-CD1 4.2Å; R141-F151 HydrophobicContact CG-CD2 4Å; R141-F151 HydrophobicContact CG-CE1 3.99Å; R141-F151 HydrophobicContact CG-CE2 3.78Å; R141-F151 HydrophobicContact CG-CG 4.21Å; R141-F151 HydrophobicContact CG-CZ 3.78Å; R141-F151 VanDerWaalsContact CZ-CD1 3.41Å; R141-F151 VanDerWaalsContact NH1-CB 3.34Å; R141-S153 PolarHBondContact NH1-O 2.88Å; R141-S153 PolarHBondContact NH2-O 3.17Å; R141-T155 PolarHBondContact NH2-O 3.2Å; R141-E158 IonicContact NH2-OE2 2.77Å; R141-V159 HydrophobicContact CB-CG1 3.95Å |
| 142 | A | 97.1 | Very high | 95.9 | Very high | 47 Ų | 47 | 61.4 Ų | 61.4 | 39% | 0.388 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.1 | -37.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I138 D139 L140 R146 | I138-A142 WeakPolarHBondContact O-CB 3.38Å; I138-A142 PolarHBondContact O-N 3.29Å; D139-A142 PolarHBondContact O-N 3.4Å; L140-A142 VanDerWaalsContact C-N 3.35Å; L140-A142 PolarHBondContact O-N 3.23Å; A142-R146 WeakPolarHBondContact O-CG 3.47Å; A142-R146 PolarHBondContact O-N 3.17Å; A142-R146 PolarHBondContact O-NE 3.27Å |
| 143 | L | 96.6 | Very high | 96 | Very high | 31 Ų | 31 | 61 Ų | 61 | 16% | 0.162 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.4 | -51.2 | 173.6 | 176.6 | 67.8 | 0 | 0 | 0 | 111.7 | D139 L140 R146 R147 V245 | D139-L143 WeakPolarHBondContact O-CB 3.39Å; D139-L143 PolarHBondContact O-N 2.91Å; L140-L143 PolarHBondContact O-N 3.16Å; L143-R146 PolarHBondContact O-N 3.27Å; L143-R147 PolarHBondContact O-N 3.42Å; L143-V245 HydrophobicContact CD1-CG1 4.17Å |
| 144 | L | 97.4 | Very high | 96 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.5 | -40.7 | -177.5 | -71.3 | 164.9 | 0 | 0 | 0 | 111.6 | L140 R141 R146 R147 G148 Y149 F151 V159 K162 F163 M166 | L140-L144 WeakPolarHBondContact O-CB 3.5Å; L140-L144 WeakPolarHBondContact O-CD1 3.45Å; L140-L144 VanDerWaalsContact O-CG 3.3Å; L140-L144 WeakPolarHBondContact O-CG 3.17Å; L140-L144 PolarHBondContact O-N 3.33Å; R141-L144 PolarHBondContact O-N 2.95Å; L144-R146 VanDerWaalsContact C-N 3.33Å; L144-R146 PolarHBondContact O-N 2.99Å; L144-R147 CarbonylContact O-C 3.57Å; L144-R147 WeakPolarHBondContact O-CA 3.48Å; L144-R147 PolarHBondContact O-N 3.14Å; L144-G148 PolarHBondContact O-N 3.19Å; L144-Y149 HydrophobicContact CB-CD2 4.44Å; L144-Y149 HydrophobicContact CD2-CD2 4.02Å; L144-Y149 HydrophobicContact CD2-CE2 4.39Å; L144-Y149 HydrophobicContact CD2-CG 4.43Å; L144-Y149 WeakPolarHBondContact O-CD2 3.26Å; L144-Y149 PolarHBondContact O-N 2.86Å; L144-Y149 VanDerWaalsContact O-N 3.15Å; L144-F151 HydrophobicContact CB-CE2 3.85Å; L144-F151 HydrophobicContact CB-CZ 3.85Å; L144-F151 HydrophobicContact CD1-CZ 3.85Å; L144-V159 HydrophobicContact CD1-CB 4.12Å; L144-V159 WeakPolarHBondContact CD1-O 3.48Å; L144-K162 HydrophobicContact CD1-CB 3.91Å; L144-K162 HydrophobicContact CD2-CB 4.37Å; L144-F163 HydrophobicContact CD1-CB 4.4Å; L144-M166 HydrophobicContact CD2-CB 4.14Å; L144-M166 HydrophobicContact CD2-SD 3.78Å |
| 145 | S | 96.7 | Very high | 96.1 | Very high | 60 Ų | 60 | 65.7 Ų | 65.7 | 42% | 0.42 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 176 | -57.5 | 0 | 0 | 0 | 0 | 111.9 | R141 R147 G148 | R141-S145 VanDerWaalsContact O-CB 3.28Å; R141-S145 WeakPolarHBondContact O-CB 3.47Å; R141-S145 PolarHBondContact O-N 2.87Å; R141-S145 PolarHBondContact O-OG 3Å; S145-R147 PolarHBondContact O-N 3.37Å; S145-G148 PolarHBondContact O-N 2.95Å |
| 146 | R | 96.6 | Very high | 96.1 | Very high | 200 Ų | 200 | 61.9 Ų | 61.9 | 76% | 0.755 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.3 | -22.7 | 174.8 | -77.4 | -175.9 | -68.3 | -179.6 | -1.1 | 113.4 | A142 L143 L144 | A142-R146 WeakPolarHBondContact O-CG 3.47Å; A142-R146 PolarHBondContact O-N 3.17Å; A142-R146 PolarHBondContact O-NE 3.27Å; L143-R146 PolarHBondContact O-N 3.27Å; L144-R146 VanDerWaalsContact C-N 3.33Å; L144-R146 PolarHBondContact O-N 2.99Å |
| 147 | R | 94.8 | Very high | 96.2 | Very high | 120 Ų | 120 | 61.1 Ų | 61.1 | 45% | 0.453 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 6.8 | 175.1 | -71.7 | -175.6 | 172.9 | -155 | -0.3 | 113.5 | L143 L144 S145 Y149 M166 | L143-R147 PolarHBondContact O-N 3.42Å; L144-R147 CarbonylContact O-C 3.57Å; L144-R147 WeakPolarHBondContact O-CA 3.48Å; L144-R147 PolarHBondContact O-N 3.14Å; S145-R147 PolarHBondContact O-N 3.37Å; R147-Y149 HydrophobicContact CB-CD2 4.05Å; R147-Y149 HydrophobicContact CB-CE2 4.13Å; R147-M166 WeakPolarHBondContact CD-SD 3.25Å; R147-M166 PolarHBondContact NH1-SD 3.34Å |
| 148 | G | 95.8 | Very high | 96.3 | Very high | 61 Ų | 61 | 59.6 Ų | 59.6 | 63% | 0.629 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | 5.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L144 S145 I150 | L144-G148 PolarHBondContact O-N 3.19Å; S145-G148 PolarHBondContact O-N 2.95Å; G148-I150 PolarHBondContact O-N 3.48Å |
| 149 | Y | 96.1 | Very high | 96.4 | Very high | 43 Ų | 43 | 54 Ų | 54 | 17% | 0.169 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 124.7 | 174 | -67 | -89.9 | 0 | 0 | 0 | 110.4 | L144 R147 K162 Q165 M166 D169 | L144-Y149 HydrophobicContact CB-CD2 4.44Å; L144-Y149 HydrophobicContact CD2-CD2 4.02Å; L144-Y149 HydrophobicContact CD2-CE2 4.39Å; L144-Y149 HydrophobicContact CD2-CG 4.43Å; L144-Y149 WeakPolarHBondContact O-CD2 3.26Å; L144-Y149 PolarHBondContact O-N 2.86Å; L144-Y149 VanDerWaalsContact O-N 3.15Å; R147-Y149 HydrophobicContact CB-CD2 4.05Å; R147-Y149 HydrophobicContact CB-CE2 4.13Å; Y149-K162 HydrophobicContact CD1-CB 4.38Å; Y149-Q165 HydrophobicContact CE1-CB 4.05Å; Y149-Q165 HydrophobicContact CE1-CG 3.85Å; Y149-M166 HydrophobicContact CE2-CB 3.85Å; Y149-M166 HydrophobicContact CE2-CG 3.95Å; Y149-M166 WeakPolarHBondContact OH-CA 3.42Å; Y149-M166 PolarHBondContact OH-N 2.94Å; Y149-D169 PolarHBondContact OH-OD2 3.34Å |
| 150 | I | 95.7 | Very high | 96.4 | Very high | 137 Ų | 137 | 48.5 Ų | 48.5 | 70% | 0.703 | 24% | 0.244 | S | C | * | . | P | Polyproline II helix | trans | -89 | 133.5 | 178.1 | -58.7 | 173.3 | 0 | 0 | 0 | 109 | G148 K162 | G148-I150 PolarHBondContact O-N 3.48Å; I150-K162 WeakPolarHBondContact O-CE 3.48Å; I150-K162 PolarHBondContact O-NZ 3.19Å |
| 151 | F | 96.8 | Very high | 96.5 | Very high | 35 Ų | 35 | 48 Ų | 48 | 15% | 0.154 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -98.6 | 139.5 | 174.9 | -72.7 | -100.7 | 0 | 0 | 0 | 111.1 | R141 L144 E158 V159 K162 | R141-F151 HydrophobicContact CB-CE1 4.37Å; R141-F151 HydrophobicContact CB-CE2 4.43Å; R141-F151 HydrophobicContact CB-CZ 4.07Å; R141-F151 HydrophobicContact CG-CD1 4.2Å; R141-F151 HydrophobicContact CG-CD2 4Å; R141-F151 HydrophobicContact CG-CE1 3.99Å; R141-F151 HydrophobicContact CG-CE2 3.78Å; R141-F151 HydrophobicContact CG-CG 4.21Å; R141-F151 HydrophobicContact CG-CZ 3.78Å; R141-F151 VanDerWaalsContact CZ-CD1 3.41Å; R141-F151 VanDerWaalsContact NH1-CB 3.34Å; L144-F151 HydrophobicContact CB-CE2 3.85Å; L144-F151 HydrophobicContact CB-CZ 3.85Å; L144-F151 HydrophobicContact CD1-CZ 3.85Å; F151-E158 WeakPolarHBondContact CA-OE1 3.5Å; F151-E158 HydrophobicContact CD1-CB 4.21Å; F151-E158 HydrophobicContact CD1-CG 3.73Å; F151-E158 HydrophobicContact CE1-CB 4.45Å; F151-E158 HydrophobicContact CE1-CG 4.13Å; F151-V159 HydrophobicContact CE1-CB 4.37Å; F151-V159 HydrophobicContact CE1-CG1 3.75Å; F151-V159 HydrophobicContact CZ-CG1 4.14Å; F151-K162 HydrophobicContact CD1-CD 3.91Å; F151-K162 HydrophobicContact CD2-CD 4.27Å; F151-K162 HydrophobicContact CE1-CD 3.66Å; F151-K162 HydrophobicContact CE2-CD 4.03Å; F151-K162 HydrophobicContact CG-CD 4.2Å; F151-K162 HydrophobicContact CZ-CD 3.72Å |
| 152 | E | 95.6 | Very high | 96.5 | Very high | 79 Ų | 79 | 45.2 Ų | 45.2 | 37% | 0.369 | 23% | 0.231 | S | C | . | . | trans | -106.9 | -28.6 | -178.9 | -62.5 | 174.6 | -162.4 | 0 | 0 | 112 | V113 R119 E158 | V113-E152 HydrophobicContact CG1-CB 4.45Å; V113-E152 VanDerWaalsContact CG1-O 3.26Å; V113-E152 WeakPolarHBondContact CG1-O 3.36Å; R119-E152 IonicContact CZ-OE2 3.66Å; R119-E152 IonicContact NE-OE1 3.19Å; R119-E152 IonicContact NE-OE2 3.49Å; R119-E152 PolarHBondContact NE-OE2 3.36Å; R119-E152 IonicContact NH2-OE1 3.42Å; R119-E152 IonicContact NH2-OE2 2.73Å; R119-E152 PolarHBondContact NH2-OE2 3.29Å; E152-E158 PolarHBondContact N-OE1 3.48Å; E152-E158 PolarHBondContact N-OE2 3.01Å | ||
| 153 | S | 95.2 | Very high | 96.6 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | trans | -112.3 | 165.7 | -173.7 | 84.6 | 0 | 0 | 0 | 0 | 112.7 | N114 R141 T155 E158 | N114-S153 WeakPolarHBondContact OD1-CB 3.1Å; R141-S153 PolarHBondContact NH1-O 2.88Å; R141-S153 PolarHBondContact NH2-O 3.17Å; S153-T155 VanDerWaalsContact C-N 3.32Å; S153-T155 PolarHBondContact OG-N 3.37Å; S153-T155 PolarHBondContact OG-OG1 2.9Å; S153-E158 VanDerWaalsContact CA-OE2 3.3Å; S153-E158 WeakPolarHBondContact CA-OE2 3.39Å; S153-E158 VanDerWaalsContact CB-OE2 3.28Å; S153-E158 WeakPolarHBondContact CB-OE2 3.46Å; S153-E158 PolarHBondContact N-OE2 3.31Å; S153-E158 VanDerWaalsContact OG-CB 3.31Å; S153-E158 WeakPolarHBondContact OG-CB 3.38Å; S153-E158 PolarHBondContact OG-OE2 2.86Å | ||
| 154 | E | 93.8 | Very high | 96.6 | Very high | 123 Ų | 123 | 42.1 Ų | 42.1 | 58% | 0.575 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -92 | 1.7 | 173.1 | -62.9 | 175 | 175.3 | 0 | 0 | 112.2 | G108 N114 | G108-E154 WeakPolarHBondContact CA-OE2 3.4Å; N114-E154 PolarHBondContact OD1-N 3.22Å |
| 155 | T | 95.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -77.5 | 145.7 | -174.2 | 70.5 | 0 | 0 | 0 | 0 | 111.8 | N114 Q118 R141 S153 E158 | N114-T155 HydrophobicContact CB-CG2 3.74Å; N114-T155 WeakPolarHBondContact O-CG2 3.38Å; Q118-T155 PolarHBondContact NE2-OG1 3.42Å; R141-T155 PolarHBondContact NH2-O 3.2Å; S153-T155 VanDerWaalsContact C-N 3.32Å; S153-T155 PolarHBondContact OG-N 3.37Å; S153-T155 PolarHBondContact OG-OG1 2.9Å; T155-E158 PolarHBondContact OG1-N 3.39Å | ||
| 156 | D | 95.2 | Very high | 96.6 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -62.6 | -33.4 | 165.3 | 63.9 | -43.9 | 0 | 0 | 0 | 110.9 | H130 I133 I134 H137 E158 V159 | H130-D156 IonicContact CE1-OD2 2.87Å; I133-D156 WeakPolarHBondContact CA-OD2 3.46Å; I134-D156 HydrophobicContact CB-CB 4.3Å; I134-D156 PolarHBondContact N-OD2 2.64Å; H137-D156 HydrophobicContact CB-CB 3.75Å; D156-E158 VanDerWaalsContact C-N 3.33Å; D156-E158 PolarHBondContact O-N 3.06Å; D156-V159 WeakPolarHBondContact O-CG2 3.47Å; D156-V159 PolarHBondContact O-N 3Å |
| 157 | T | 97.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -36.4 | 178.7 | -53.7 | 0 | 0 | 0 | 0 | 114.5 | H116 Q118 V128 H130 V159 I160 P161 | H116-T157 PolarHBondContact CE1-OG1 2.69Å; H116-T157 WeakPolarHBondContact NE2-CB 3.38Å; H116-T157 PolarHBondContact NE2-OG1 3.46Å; Q118-T157 HydrophobicContact CB-CG2 3.93Å; Q118-T157 HydrophobicContact CG-CG2 3.7Å; V128-T157 HydrophobicContact CG1-CG2 4.09Å; H130-T157 HydrophobicContact CB-CG2 3.49Å; H130-T157 VanDerWaalsContact CB-CG2 3.49Å; H130-T157 PolarHBondContact ND1-OG1 2.93Å; T157-V159 PolarHBondContact O-N 2.67Å; T157-V159 VanDerWaalsContact O-N 3.12Å; T157-I160 HydrophobicContact CG2-CD1 4.48Å; T157-I160 VanDerWaalsContact O-CB 3.29Å; T157-I160 WeakPolarHBondContact O-CB 3.32Å; T157-I160 WeakPolarHBondContact O-CG1 3.38Å; T157-I160 PolarHBondContact O-N 3.3Å; T157-P161 VanDerWaalsContact O-CD 3.25Å; T157-P161 WeakPolarHBondContact O-CD 3.33Å |
| 158 | E | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -20.3 | -173.6 | -177.9 | 180 | -168.8 | 0 | 0 | 113.8 | Q118 R141 F151 E152 S153 T155 D156 I160 P161 K162 | Q118-E158 HydrophobicContact CG-CB 4.43Å; R141-E158 IonicContact NH2-OE2 2.77Å; F151-E158 WeakPolarHBondContact CA-OE1 3.5Å; F151-E158 HydrophobicContact CD1-CB 4.21Å; F151-E158 HydrophobicContact CD1-CG 3.73Å; F151-E158 HydrophobicContact CE1-CB 4.45Å; F151-E158 HydrophobicContact CE1-CG 4.13Å; E152-E158 PolarHBondContact N-OE1 3.48Å; E152-E158 PolarHBondContact N-OE2 3.01Å; S153-E158 VanDerWaalsContact CA-OE2 3.3Å; S153-E158 WeakPolarHBondContact CA-OE2 3.39Å; S153-E158 VanDerWaalsContact CB-OE2 3.28Å; S153-E158 WeakPolarHBondContact CB-OE2 3.46Å; S153-E158 PolarHBondContact N-OE2 3.31Å; S153-E158 VanDerWaalsContact OG-CB 3.31Å; S153-E158 WeakPolarHBondContact OG-CB 3.38Å; S153-E158 PolarHBondContact OG-OE2 2.86Å; T155-E158 PolarHBondContact OG1-N 3.39Å; D156-E158 VanDerWaalsContact C-N 3.33Å; D156-E158 PolarHBondContact O-N 3.06Å; E158-I160 PolarHBondContact O-N 2.85Å; E158-P161 VanDerWaalsContact O-CD 3.3Å; E158-P161 WeakPolarHBondContact O-CD 3.46Å; E158-K162 VanDerWaalsContact CD-CE 3.41Å; E158-K162 HydrophobicContact CG-CD 4.14Å; E158-K162 WeakPolarHBondContact O-CG 3.33Å; E158-K162 WeakPolarHBondContact OE1-CE 3.37Å; E158-K162 IonicContact OE1-NZ 2.67Å; E158-K162 PolarHBondContact OE1-NZ 3.01Å |
| 159 | V | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.4 | -29.4 | 173.7 | -51.7 | 0 | 0 | 0 | 0 | 111.7 | I134 H137 L140 R141 L144 F151 D156 T157 F163 | I134-V159 HydrophobicContact CG2-CG2 4.47Å; H137-V159 HydrophobicContact CB-CG1 4.21Å; H137-V159 HydrophobicContact CB-CG2 4.4Å; L140-V159 HydrophobicContact CB-CB 4.06Å; L140-V159 HydrophobicContact CB-CG1 4.3Å; L140-V159 HydrophobicContact CB-CG2 4.17Å; L140-V159 HydrophobicContact CD1-CG2 3.9Å; R141-V159 HydrophobicContact CB-CG1 3.95Å; L144-V159 HydrophobicContact CD1-CB 4.12Å; L144-V159 WeakPolarHBondContact CD1-O 3.48Å; F151-V159 HydrophobicContact CE1-CB 4.37Å; F151-V159 HydrophobicContact CE1-CG1 3.75Å; F151-V159 HydrophobicContact CZ-CG1 4.14Å; D156-V159 WeakPolarHBondContact O-CG2 3.47Å; D156-V159 PolarHBondContact O-N 3Å; T157-V159 PolarHBondContact O-N 2.67Å; T157-V159 VanDerWaalsContact O-N 3.12Å; V159-F163 VanDerWaalsContact O-CB 3.3Å; V159-F163 WeakPolarHBondContact O-CB 3.48Å; V159-F163 PolarHBondContact O-N 3.11Å |
| 160 | I | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.4 | -59.1 | -174 | -58.3 | 175.3 | 0 | 0 | 0 | 112.2 | V128 H130 I134 T157 E158 K162 F163 M164 V185 L189 L195 | V128-I160 HydrophobicContact CB-CG2 4.49Å; V128-I160 HydrophobicContact CG1-CB 4.19Å; V128-I160 HydrophobicContact CG1-CG2 4.09Å; V128-I160 HydrophobicContact CG2-CG2 4.19Å; H130-I160 HydrophobicContact CB-CD1 4.45Å; I134-I160 HydrophobicContact CD1-CD1 4.11Å; I134-I160 HydrophobicContact CG1-CD1 3.99Å; I134-I160 HydrophobicContact CG1-CG1 4.38Å; T157-I160 HydrophobicContact CG2-CD1 4.48Å; T157-I160 VanDerWaalsContact O-CB 3.29Å; T157-I160 WeakPolarHBondContact O-CB 3.32Å; T157-I160 WeakPolarHBondContact O-CG1 3.38Å; T157-I160 PolarHBondContact O-N 3.3Å; E158-I160 PolarHBondContact O-N 2.85Å; I160-K162 VanDerWaalsContact C-N 3.28Å; I160-K162 PolarHBondContact O-N 3.36Å; I160-F163 PolarHBondContact O-N 3.05Å; I160-F163 VanDerWaalsContact O-N 3.16Å; I160-M164 HydrophobicContact CG2-CE 3.47Å; I160-M164 VanDerWaalsContact CG2-CE 3.47Å; I160-M164 WeakPolarHBondContact O-CG 3.46Å; I160-M164 PolarHBondContact O-N 3.15Å; I160-V185 HydrophobicContact CG2-CG1 4.14Å; I160-L189 HydrophobicContact CD1-CD1 4.18Å; I160-L189 HydrophobicContact CG1-CD1 4.16Å; I160-L189 HydrophobicContact CG1-CD2 4.16Å; I160-L195 HydrophobicContact CD1-CD1 4.39Å; I160-L195 HydrophobicContact CD1-CD2 3.57Å; I160-L195 HydrophobicContact CG2-CD1 4.28Å |
| 161 | P | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.7 | -29.5 | -177.9 | 30.7 | -35.9 | 0 | 0 | 0 | 111.7 | Q118 S120 F126 V128 T157 E158 F163 M164 Q165 | Q118-P161 HydrophobicContact CB-CG 4.24Å; S120-P161 VanDerWaalsContact CB-O 3.3Å; S120-P161 WeakPolarHBondContact CB-O 3.4Å; F126-P161 HydrophobicContact CB-CB 4.18Å; V128-P161 HydrophobicContact CG1-CB 4.13Å; V128-P161 HydrophobicContact CG1-CG 3.94Å; T157-P161 VanDerWaalsContact O-CD 3.25Å; T157-P161 WeakPolarHBondContact O-CD 3.33Å; E158-P161 VanDerWaalsContact O-CD 3.3Å; E158-P161 WeakPolarHBondContact O-CD 3.46Å; P161-F163 VanDerWaalsContact C-N 3.34Å; P161-M164 WeakPolarHBondContact O-CB 3.38Å; P161-M164 PolarHBondContact O-N 3.41Å; P161-Q165 PolarHBondContact O-N 3.16Å |
| 162 | K | 98.3 | Very high | 96 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 1% | 0.013 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.5 | -37.1 | 172.9 | -70.4 | -178 | -164.3 | -66.4 | 0 | 112 | S120 L144 Y149 I150 F151 E158 I160 Q165 M166 | S120-K162 WeakPolarHBondContact O-CG 3.46Å; S120-K162 PolarHBondContact O-NZ 3.43Å; L144-K162 HydrophobicContact CD1-CB 3.91Å; L144-K162 HydrophobicContact CD2-CB 4.37Å; Y149-K162 HydrophobicContact CD1-CB 4.38Å; I150-K162 WeakPolarHBondContact O-CE 3.48Å; I150-K162 PolarHBondContact O-NZ 3.19Å; F151-K162 HydrophobicContact CD1-CD 3.91Å; F151-K162 HydrophobicContact CD2-CD 4.27Å; F151-K162 HydrophobicContact CE1-CD 3.66Å; F151-K162 HydrophobicContact CE2-CD 4.03Å; F151-K162 HydrophobicContact CG-CD 4.2Å; F151-K162 HydrophobicContact CZ-CD 3.72Å; E158-K162 VanDerWaalsContact CD-CE 3.41Å; E158-K162 HydrophobicContact CG-CD 4.14Å; E158-K162 WeakPolarHBondContact O-CG 3.33Å; E158-K162 WeakPolarHBondContact OE1-CE 3.37Å; E158-K162 IonicContact OE1-NZ 2.67Å; E158-K162 PolarHBondContact OE1-NZ 3.01Å; I160-K162 VanDerWaalsContact C-N 3.28Å; I160-K162 PolarHBondContact O-N 3.36Å; K162-Q165 PolarHBondContact O-N 2.9Å; K162-M166 PolarHBondContact O-N 3.11Å |
| 163 | F | 98 | Very high | 95.7 | Very high | 13 Ų | 13 | 34.9 Ų | 34.9 | 6% | 0.057 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.5 | -41 | 172.8 | -154.1 | 165.3 | 0 | 0 | 0 | 111.4 | L140 L144 V159 I160 P161 Q165 M166 I167 V185 Q188 | L140-F163 HydrophobicContact CD2-CD1 4.06Å; L140-F163 HydrophobicContact CD2-CE1 3.64Å; L144-F163 HydrophobicContact CD1-CB 4.4Å; V159-F163 VanDerWaalsContact O-CB 3.3Å; V159-F163 WeakPolarHBondContact O-CB 3.48Å; V159-F163 PolarHBondContact O-N 3.11Å; I160-F163 PolarHBondContact O-N 3.05Å; I160-F163 VanDerWaalsContact O-N 3.16Å; P161-F163 VanDerWaalsContact C-N 3.34Å; F163-Q165 VanDerWaalsContact C-N 3.3Å; F163-Q165 PolarHBondContact O-N 3.34Å; F163-M166 HydrophobicContact CD2-CE 3.45Å; F163-M166 VanDerWaalsContact CD2-CE 3.45Å; F163-M166 HydrophobicContact CE2-CE 3.15Å; F163-M166 HydrophobicContact CZ-CE 4.15Å; F163-M166 PolarHBondContact O-N 3.35Å; F163-I167 HydrophobicContact CD2-CD1 3.74Å; F163-I167 HydrophobicContact CD2-CG1 3.9Å; F163-I167 HydrophobicContact CE2-CD1 3.86Å; F163-I167 HydrophobicContact CE2-CG1 3.97Å; F163-I167 HydrophobicContact CG-CD1 4.5Å; F163-I167 WeakPolarHBondContact O-CG1 3.48Å; F163-I167 PolarHBondContact O-N 3.33Å; F163-V185 HydrophobicContact CB-CG2 4.15Å; F163-V185 HydrophobicContact CG-CG2 4.25Å; F163-Q188 HydrophobicContact CD1-CB 4.37Å; F163-Q188 HydrophobicContact CE1-CB 3.4Å; F163-Q188 HydrophobicContact CE1-CG 3.73Å; F163-Q188 HydrophobicContact CZ-CB 3.89Å; F163-Q188 HydrophobicContact CZ-CG 3.65Å |
| 164 | M | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.3 | -46.2 | 172.9 | -65.2 | 173.9 | -174.2 | 0 | 0 | 111.5 | F126 I160 P161 M166 I167 Y168 V181 V182 V185 T197 | F126-M164 HydrophobicContact CB-CB 4.14Å; F126-M164 HydrophobicContact CB-SD 4.39Å; F126-M164 HydrophobicContact CD1-CB 3.74Å; F126-M164 HydrophobicContact CD1-CG 4.45Å; F126-M164 HydrophobicContact CD1-SD 4.12Å; F126-M164 HydrophobicContact CD2-CB 4.01Å; F126-M164 HydrophobicContact CE1-CB 4.12Å; F126-M164 HydrophobicContact CE2-CB 4.36Å; F126-M164 HydrophobicContact CG-CB 3.69Å; F126-M164 HydrophobicContact CZ-CB 4.41Å; I160-M164 HydrophobicContact CG2-CE 3.47Å; I160-M164 VanDerWaalsContact CG2-CE 3.47Å; I160-M164 WeakPolarHBondContact O-CG 3.46Å; I160-M164 PolarHBondContact O-N 3.15Å; P161-M164 WeakPolarHBondContact O-CB 3.38Å; P161-M164 PolarHBondContact O-N 3.41Å; M164-M166 PolarHBondContact O-N 3.28Å; M164-I167 PolarHBondContact O-N 3.25Å; M164-Y168 WeakPolarHBondContact O-CB 3.17Å; M164-Y168 PolarHBondContact O-N 2.89Å; M164-V181 HydrophobicContact CB-CG1 3.84Å; M164-V181 HydrophobicContact CG-CG1 4.03Å; M164-V182 HydrophobicContact CE-CG2 4.16Å; M164-V185 HydrophobicContact CB-CG2 4.44Å; M164-V185 HydrophobicContact CE-CG1 4.45Å; M164-V185 HydrophobicContact CG-CG2 3.66Å; M164-T197 HydrophobicContact CE-CG2 3.42Å; M164-T197 VanDerWaalsContact CE-CG2 3.42Å; M164-T197 HydrophobicContact SD-CG2 4.11Å |
| 165 | Q | 97.3 | Very high | 95.3 | Very high | 15 Ų | 15 | 38.7 Ų | 38.7 | 7% | 0.07 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.3 | -45.7 | 176.2 | -170.1 | 69 | 53.8 | 0 | 0 | 112 | S120 F126 Y149 P161 K162 F163 I167 Y168 D169 Y201 | S120-Q165 PolarHBondContact OG-OE1 3.41Å; S120-Q165 VanDerWaalsContact OG-OE1 3.07Å; F126-Q165 HydrophobicContact CD2-CB 4.12Å; F126-Q165 HydrophobicContact CE2-CB 4.49Å; Y149-Q165 HydrophobicContact CE1-CB 4.05Å; Y149-Q165 HydrophobicContact CE1-CG 3.85Å; P161-Q165 PolarHBondContact O-N 3.16Å; K162-Q165 PolarHBondContact O-N 2.9Å; F163-Q165 VanDerWaalsContact C-N 3.3Å; F163-Q165 PolarHBondContact O-N 3.34Å; Q165-I167 VanDerWaalsContact C-N 3.34Å; Q165-I167 PolarHBondContact O-N 3.42Å; Q165-Y168 PolarHBondContact O-N 3.41Å; Q165-D169 PolarHBondContact NE2-OD1 3.08Å; Q165-D169 WeakPolarHBondContact O-CB 3.47Å; Q165-D169 PolarHBondContact O-N 3.2Å; Q165-Y201 PolarHBondContact NE2-OH 3.09Å; Q165-Y201 VanDerWaalsContact NE2-OH 3.17Å |
| 166 | M | 96.7 | Very high | 95.3 | Very high | 14 Ų | 14 | 40.1 Ų | 40.1 | 7% | 0.069 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.7 | -40.1 | 177.8 | -171.8 | -170.2 | 82.8 | 0 | 0 | 113.2 | L144 R147 Y149 K162 F163 M164 S170 | L144-M166 HydrophobicContact CD2-CB 4.14Å; L144-M166 HydrophobicContact CD2-SD 3.78Å; R147-M166 WeakPolarHBondContact CD-SD 3.25Å; R147-M166 PolarHBondContact NH1-SD 3.34Å; Y149-M166 HydrophobicContact CE2-CB 3.85Å; Y149-M166 HydrophobicContact CE2-CG 3.95Å; Y149-M166 WeakPolarHBondContact OH-CA 3.42Å; Y149-M166 PolarHBondContact OH-N 2.94Å; K162-M166 PolarHBondContact O-N 3.11Å; F163-M166 HydrophobicContact CD2-CE 3.45Å; F163-M166 VanDerWaalsContact CD2-CE 3.45Å; F163-M166 HydrophobicContact CE2-CE 3.15Å; F163-M166 HydrophobicContact CZ-CE 4.15Å; F163-M166 PolarHBondContact O-N 3.35Å; M164-M166 PolarHBondContact O-N 3.28Å; M166-S170 WeakPolarHBondContact O-CB 3.41Å; M166-S170 PolarHBondContact O-N 2.99Å; M166-S170 PolarHBondContact O-OG 3.09Å |
| 167 | I | 96.9 | Very high | 95.3 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 6% | 0.062 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.5 | -47.1 | 176.1 | -70.8 | 164.7 | 0 | 0 | 0 | 110 | F163 M164 Q165 D169 S170 H171 I176 V181 L184 V185 | F163-I167 HydrophobicContact CD2-CD1 3.74Å; F163-I167 HydrophobicContact CD2-CG1 3.9Å; F163-I167 HydrophobicContact CE2-CD1 3.86Å; F163-I167 HydrophobicContact CE2-CG1 3.97Å; F163-I167 HydrophobicContact CG-CD1 4.5Å; F163-I167 WeakPolarHBondContact O-CG1 3.48Å; F163-I167 PolarHBondContact O-N 3.33Å; M164-I167 PolarHBondContact O-N 3.25Å; Q165-I167 VanDerWaalsContact C-N 3.34Å; Q165-I167 PolarHBondContact O-N 3.42Å; I167-D169 PolarHBondContact O-N 3.01Å; I167-S170 PolarHBondContact O-N 3.36Å; I167-H171 PolarHBondContact O-N 2.85Å; I167-H171 PolarHBondContact O-ND1 3.36Å; I167-I176 HydrophobicContact CG2-CD1 3.78Å; I167-V181 HydrophobicContact CB-CG1 4.48Å; I167-V181 HydrophobicContact CG2-CG1 4.3Å; I167-V181 HydrophobicContact CG2-CG2 4.4Å; I167-L184 HydrophobicContact CD1-CB 3.76Å; I167-L184 HydrophobicContact CG2-CB 4.49Å; I167-L184 HydrophobicContact CG2-CD1 3.81Å; I167-V185 HydrophobicContact CD1-CB 4.47Å; I167-V185 HydrophobicContact CD1-CG2 3.44Å; I167-V185 VanDerWaalsContact CD1-CG2 3.44Å |
| 168 | Y | 95.7 | Very high | 95.3 | Very high | 55 Ų | 55 | 41.7 Ų | 41.7 | 22% | 0.216 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.7 | -48.8 | 176.1 | 178.6 | -96.2 | 0 | 0 | 0 | 111.8 | F126 M164 Q165 S170 H171 K172 Y201 Y202 | F126-Y168 HydrophobicContact CE2-CD1 4.42Å; F126-Y168 HydrophobicContact CE2-CD2 4.5Å; F126-Y168 AromaticContact CE2-CG 3.95Å; F126-Y168 HydrophobicContact CE2-CG 3.95Å; F126-Y168 HydrophobicContact CZ-CD2 4.05Å; F126-Y168 AromaticContact CZ-CG 3.93Å; F126-Y168 HydrophobicContact CZ-CG 3.93Å; M164-Y168 WeakPolarHBondContact O-CB 3.17Å; M164-Y168 PolarHBondContact O-N 2.89Å; Q165-Y168 PolarHBondContact O-N 3.41Å; Y168-S170 VanDerWaalsContact C-N 3.27Å; Y168-S170 PolarHBondContact O-N 3.22Å; Y168-H171 CarbonylContact O-C 3.31Å; Y168-H171 PolarHBondContact O-N 2.62Å; Y168-K172 PolarHBondContact O-N 2.67Å; Y168-Y201 HydrophobicContact CD1-CD2 4.06Å; Y168-Y201 AromaticContact CD1-CE2 3.93Å; Y168-Y201 HydrophobicContact CD1-CE2 3.93Å; Y168-Y201 HydrophobicContact CD2-CD2 4.2Å; Y168-Y201 HydrophobicContact CD2-CG 4.43Å; Y168-Y201 AromaticContact CE1-CD1 3.91Å; Y168-Y201 HydrophobicContact CE1-CD1 3.91Å; Y168-Y201 AromaticContact CE1-CD2 3.9Å; Y168-Y201 HydrophobicContact CE1-CD2 3.9Å; Y168-Y201 AromaticContact CE1-CE1 3.92Å; Y168-Y201 HydrophobicContact CE1-CE1 3.92Å; Y168-Y201 AromaticContact CE1-CE2 3.89Å; Y168-Y201 HydrophobicContact CE1-CE2 3.89Å; Y168-Y201 AromaticContact CE1-CG 3.91Å; Y168-Y201 HydrophobicContact CE1-CG 3.91Å; Y168-Y201 AromaticContact CE1-CZ 3.9Å; Y168-Y201 HydrophobicContact CE2-CD1 4.41Å; Y168-Y201 HydrophobicContact CE2-CD2 4.04Å; Y168-Y201 AromaticContact CE2-CG 3.82Å; Y168-Y201 HydrophobicContact CE2-CG 3.82Å; Y168-Y201 HydrophobicContact CG-CD2 4.21Å; Y168-Y201 HydrophobicContact CG-CE2 4.42Å; Y168-Y201 AromaticContact CZ-CD1 3.67Å; Y168-Y201 AromaticContact CZ-CD2 3.9Å; Y168-Y201 AromaticContact CZ-CG 3.53Å; Y168-Y201 WeakPolarHBondContact OH-CD1 3.14Å; Y168-Y202 HydrophobicContact CD2-CE2 4.1Å; Y168-Y202 HydrophobicContact CE2-CE2 4.28Å |
| 169 | D | 94.4 | Very high | 95.2 | Very high | 48 Ų | 48 | 42.4 Ų | 42.4 | 26% | 0.257 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.4 | -35.5 | 178.2 | -70.6 | -33.3 | 0 | 0 | 0 | 112.6 | Y149 Q165 I167 H171 K172 | Y149-D169 PolarHBondContact OH-OD2 3.34Å; Q165-D169 PolarHBondContact NE2-OD1 3.08Å; Q165-D169 WeakPolarHBondContact O-CB 3.47Å; Q165-D169 PolarHBondContact O-N 3.2Å; I167-D169 PolarHBondContact O-N 3.01Å; D169-H171 VanDerWaalsContact C-N 3.26Å; D169-H171 PolarHBondContact O-N 2.87Å; D169-K172 WeakPolarHBondContact OD1-CE 3.42Å; D169-K172 IonicContact OD1-NZ 3.2Å; D169-K172 PolarHBondContact OD1-NZ 2.92Å |
| 170 | S | 94.1 | Very high | 95.1 | Very high | 78 Ų | 78 | 45.1 Ų | 45.1 | 55% | 0.545 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -73.8 | -15.1 | 177.7 | -54.1 | 0 | 0 | 0 | 0 | 113.6 | M166 I167 Y168 | M166-S170 WeakPolarHBondContact O-CB 3.41Å; M166-S170 PolarHBondContact O-N 2.99Å; M166-S170 PolarHBondContact O-OG 3.09Å; I167-S170 PolarHBondContact O-N 3.36Å; Y168-S170 VanDerWaalsContact C-N 3.27Å; Y168-S170 PolarHBondContact O-N 3.22Å |
| 171 | H | 94.4 | Very high | 95 | Very high | 47 Ų | 47 | 45.1 Ų | 45.1 | 22% | 0.218 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 20.6 | -177.1 | -67 | 83.5 | 0 | 0 | 0 | 112.5 | I167 Y168 D169 E173 N174 P175 I176 | I167-H171 PolarHBondContact O-N 2.85Å; I167-H171 PolarHBondContact O-ND1 3.36Å; Y168-H171 CarbonylContact O-C 3.31Å; Y168-H171 PolarHBondContact O-N 2.62Å; D169-H171 VanDerWaalsContact C-N 3.26Å; D169-H171 PolarHBondContact O-N 2.87Å; H171-E173 VanDerWaalsContact C-N 3.26Å; H171-E173 PolarHBondContact O-N 2.94Å; H171-N174 CarbonylContact O-C 3.51Å; H171-N174 PolarHBondContact O-N 2.93Å; H171-P175 WeakPolarHBondContact O-CA 3.32Å; H171-I176 HydrophobicContact CB-CD1 4.38Å; H171-I176 HydrophobicContact CB-CG1 4.12Å; H171-I176 HydrophobicContact CB-CG2 4.33Å |
| 172 | K | 88.3 | Confident | 95 | Very high | 131 Ų | 131 | 45.1 Ų | 45.1 | 57% | 0.57 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -59.3 | -35.6 | 177.8 | -78.6 | 177.6 | 175.3 | 160.1 | 0 | 113.5 | Y168 D169 | Y168-K172 PolarHBondContact O-N 2.67Å; D169-K172 WeakPolarHBondContact OD1-CE 3.42Å; D169-K172 IonicContact OD1-NZ 3.2Å; D169-K172 PolarHBondContact OD1-NZ 2.92Å |
| 173 | E | 88.6 | Confident | 94.9 | Very high | 183 Ų | 183 | 45.1 Ų | 45.1 | 86% | 0.855 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -77.8 | -25.8 | 178.8 | -63.5 | -175.6 | 171 | 0 | 0 | 112.9 | H171 | H171-E173 VanDerWaalsContact C-N 3.26Å; H171-E173 PolarHBondContact O-N 2.94Å |
| 174 | N | 90.5 | Very high | 94.8 | Very high | 98 Ų | 98 | 45.9 Ų | 45.9 | 52% | 0.524 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -133.9 | 80.6 | 177.5 | -71.7 | -48.7 | 0 | 0 | 0 | 109.3 | H171 I176 | H171-N174 CarbonylContact O-C 3.51Å; H171-N174 PolarHBondContact O-N 2.93Å; N174-I176 PolarHBondContact O-N 3.42Å |
| 175 | P | 90.4 | Very high | 94.7 | Very high | 112 Ų | 112 | 45.9 Ų | 45.9 | 73% | 0.727 | 24% | 0.238 | S | C | * | . | P | Polyproline II helix | trans | -57.9 | 131.6 | -172.5 | -26.4 | 35.3 | 0 | 0 | 0 | 112.6 | H171 | H171-P175 WeakPolarHBondContact O-CA 3.32Š|
| 176 | I | 94.4 | Very high | 94.6 | Very high | 29 Ų | 29 | 45.2 Ų | 45.2 | 15% | 0.149 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -103.9 | 159.9 | 175.6 | 59.4 | 171.7 | 0 | 0 | 0 | 110.8 | I167 H171 N174 E180 V181 L184 Y202 | I167-I176 HydrophobicContact CG2-CD1 3.78Å; H171-I176 HydrophobicContact CB-CD1 4.38Å; H171-I176 HydrophobicContact CB-CG1 4.12Å; H171-I176 HydrophobicContact CB-CG2 4.33Å; N174-I176 PolarHBondContact O-N 3.42Å; I176-E180 HydrophobicContact CB-CB 4.14Å; I176-E180 HydrophobicContact CD1-CB 4.23Å; I176-V181 HydrophobicContact CD1-CG2 3.67Å; I176-V181 HydrophobicContact CG1-CG2 3.82Å; I176-L184 HydrophobicContact CD1-CD1 4.03Å; I176-Y202 WeakPolarHBondContact O-CE1 3.33Å; I176-Y202 PolarHBondContact O-OH 3.33Å |
| 177 | T | 95.7 | Very high | 94.5 | Very high | 37 Ų | 37 | 49.1 Ų | 49.1 | 23% | 0.227 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 159.6 | 177.8 | 65 | 0 | 0 | 0 | 0 | 111.9 | L179 E180 V181 | T177-L179 VanDerWaalsContact C-N 3.26Å; T177-L179 PolarHBondContact O-N 3.28Å; T177-E180 WeakPolarHBondContact CB-OE2 3.42Å; T177-E180 PolarHBondContact N-OE2 2.81Å; T177-E180 WeakPolarHBondContact O-CB 3.47Å; T177-E180 PolarHBondContact O-N 3.44Å; T177-E180 VanDerWaalsContact O-N 3.07Å; T177-E180 WeakPolarHBondContact OG1-CG 3.37Å; T177-E180 PolarHBondContact OG1-N 2.95Å; T177-E180 PolarHBondContact OG1-OE2 2.88Å; T177-V181 PolarHBondContact O-N 3.46Å; T177-V181 VanDerWaalsContact O-N 3.16Å |
| 178 | F | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 179.5 | -167.1 | -162.9 | 0 | 0 | 0 | 112.4 | F126 E180 V181 V182 T197 Y202 E205 V207 | F126-F178 AromaticContact CD1-CE2 3.96Å; F126-F178 HydrophobicContact CD1-CE2 3.96Å; F126-F178 HydrophobicContact CE1-CD2 4.19Å; F126-F178 AromaticContact CE1-CE2 3.83Å; F126-F178 HydrophobicContact CE1-CE2 3.83Å; F178-E180 VanDerWaalsContact C-N 3.3Å; F178-E180 PolarHBondContact O-N 3.04Å; F178-V181 HydrophobicContact CD2-CB 4.48Å; F178-V181 WeakPolarHBondContact O-CB 3.25Å; F178-V181 PolarHBondContact O-N 2.86Å; F178-V182 HydrophobicContact CD2-CG2 4.08Å; F178-V182 HydrophobicContact CE2-CG2 3.84Å; F178-V182 HydrophobicContact CZ-CG2 4.47Å; F178-V182 PolarHBondContact O-N 3.32Å; F178-V182 VanDerWaalsContact O-N 3.09Å; F178-T197 WeakPolarHBondContact CZ-OG1 3.44Å; F178-Y202 HydrophobicContact CB-CD1 3.78Å; F178-Y202 HydrophobicContact CB-CD2 3.79Å; F178-Y202 HydrophobicContact CB-CE1 4.18Å; F178-Y202 HydrophobicContact CB-CE2 4.2Å; F178-Y202 HydrophobicContact CB-CG 3.56Å; F178-Y202 HydrophobicContact CD1-CD2 4.42Å; F178-Y202 HydrophobicContact CD1-CG 4.34Å; F178-Y202 AromaticContact CD2-CD2 3.79Å; F178-Y202 HydrophobicContact CD2-CD2 3.79Å; F178-Y202 HydrophobicContact CD2-CE2 4.12Å; F178-Y202 HydrophobicContact CD2-CG 4.39Å; F178-Y202 AromaticContact CG-CD2 3.75Å; F178-Y202 HydrophobicContact CG-CD2 3.75Å; F178-Y202 HydrophobicContact CG-CE2 4.35Å; F178-Y202 AromaticContact CG-CG 3.87Å; F178-Y202 HydrophobicContact CG-CG 3.87Å; F178-E205 HydrophobicContact CD1-CB 4Å; F178-V207 HydrophobicContact CB-CG2 4.1Å; F178-V207 HydrophobicContact CD1-CB 4.35Å; F178-V207 HydrophobicContact CD1-CG2 3.54Å; F178-V207 HydrophobicContact CD2-CG2 4.47Å; F178-V207 HydrophobicContact CE1-CB 4.37Å; F178-V207 HydrophobicContact CE1-CG2 4.02Å; F178-V207 HydrophobicContact CG-CG2 3.78Å |
| 179 | L | 96 | Very high | 94.4 | Very high | 15 Ų | 15 | 50.1 Ų | 50.1 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -52 | -49.6 | 171.9 | 169.5 | 65.2 | 0 | 0 | 0 | 111.2 | T177 V181 V182 E183 V303 A305 H314 | T177-L179 VanDerWaalsContact C-N 3.26Å; T177-L179 PolarHBondContact O-N 3.28Å; L179-V181 VanDerWaalsContact C-N 3.34Å; L179-V181 PolarHBondContact O-N 3.22Å; L179-V182 PolarHBondContact O-N 3.38Å; L179-E183 HydrophobicContact CD1-CG 4Å; L179-E183 HydrophobicContact CG-CG 4.37Å; L179-E183 WeakPolarHBondContact O-CG 3.37Å; L179-E183 PolarHBondContact O-N 3.34Å; L179-V303 HydrophobicContact CD1-CB 4.17Å; L179-V303 HydrophobicContact CD1-CG1 3.55Å; L179-A305 HydrophobicContact CB-CB 4.15Å; L179-A305 HydrophobicContact CD1-CB 4.06Å; L179-H314 HydrophobicContact CD1-CB 4.29Å; L179-H314 WeakPolarHBondContact CD2-CD2 3.17Å; L179-H314 VanDerWaalsContact CD2-NE2 3.26Å; L179-H314 WeakPolarHBondContact CD2-NE2 3.42Å |
| 180 | E | 95.7 | Very high | 94.4 | Very high | 57 Ų | 57 | 53.4 Ų | 53.4 | 27% | 0.266 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.8 | -37.4 | -177.3 | -66 | 173.7 | 117 | 0 | 0 | 112.3 | I176 T177 F178 E183 L184 K235 | I176-E180 HydrophobicContact CB-CB 4.14Å; I176-E180 HydrophobicContact CD1-CB 4.23Å; T177-E180 WeakPolarHBondContact CB-OE2 3.42Å; T177-E180 PolarHBondContact N-OE2 2.81Å; T177-E180 WeakPolarHBondContact O-CB 3.47Å; T177-E180 PolarHBondContact O-N 3.44Å; T177-E180 VanDerWaalsContact O-N 3.07Å; T177-E180 WeakPolarHBondContact OG1-CG 3.37Å; T177-E180 PolarHBondContact OG1-N 2.95Å; T177-E180 PolarHBondContact OG1-OE2 2.88Å; F178-E180 VanDerWaalsContact C-N 3.3Å; F178-E180 PolarHBondContact O-N 3.04Å; E180-E183 PolarHBondContact O-N 3.31Å; E180-L184 WeakPolarHBondContact O-CB 3.41Å; E180-L184 VanDerWaalsContact O-CG 3.25Å; E180-L184 WeakPolarHBondContact O-CG 3.27Å; E180-L184 PolarHBondContact O-N 3.33Å; E180-K235 IonicContact OE1-NZ 3.1Å |
| 181 | V | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.8 | -50.8 | 172.8 | 177.4 | 0 | 0 | 0 | 0 | 110.1 | F126 M164 I167 I176 T177 F178 L179 L184 V185 Y202 | F126-V181 HydrophobicContact CE1-CG1 4.28Å; F126-V181 HydrophobicContact CZ-CG1 4.46Å; M164-V181 HydrophobicContact CB-CG1 3.84Å; M164-V181 HydrophobicContact CG-CG1 4.03Å; I167-V181 HydrophobicContact CB-CG1 4.48Å; I167-V181 HydrophobicContact CG2-CG1 4.3Å; I167-V181 HydrophobicContact CG2-CG2 4.4Å; I176-V181 HydrophobicContact CD1-CG2 3.67Å; I176-V181 HydrophobicContact CG1-CG2 3.82Å; T177-V181 PolarHBondContact O-N 3.46Å; T177-V181 VanDerWaalsContact O-N 3.16Å; F178-V181 HydrophobicContact CD2-CB 4.48Å; F178-V181 WeakPolarHBondContact O-CB 3.25Å; F178-V181 PolarHBondContact O-N 2.86Å; L179-V181 VanDerWaalsContact C-N 3.34Å; L179-V181 PolarHBondContact O-N 3.22Å; V181-L184 PolarHBondContact O-N 3.43Å; V181-V185 WeakPolarHBondContact O-CG2 3.32Å; V181-V185 PolarHBondContact O-N 3.31Å; V181-Y202 HydrophobicContact CG2-CE2 4.44Å |
| 182 | V | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.7 | -37.8 | -177.5 | 178.7 | 0 | 0 | 0 | 0 | 112.1 | M164 F178 L179 V185 A186 T197 V207 A209 V303 | M164-V182 HydrophobicContact CE-CG2 4.16Å; F178-V182 HydrophobicContact CD2-CG2 4.08Å; F178-V182 HydrophobicContact CE2-CG2 3.84Å; F178-V182 HydrophobicContact CZ-CG2 4.47Å; F178-V182 PolarHBondContact O-N 3.32Å; F178-V182 VanDerWaalsContact O-N 3.09Å; L179-V182 PolarHBondContact O-N 3.38Å; V182-V185 PolarHBondContact O-N 3.28Å; V182-A186 VanDerWaalsContact O-CB 3.29Å; V182-A186 WeakPolarHBondContact O-CB 3.38Å; V182-A186 PolarHBondContact O-N 3.01Å; V182-T197 HydrophobicContact CG2-CG2 4.24Å; V182-V207 HydrophobicContact CB-CB 4.36Å; V182-V207 HydrophobicContact CB-CG1 3.73Å; V182-V207 HydrophobicContact CG1-CG1 3.84Å; V182-V207 HydrophobicContact CG2-CB 3.89Å; V182-V207 HydrophobicContact CG2-CG1 3.84Å; V182-A209 HydrophobicContact CG1-CB 4.14Å; V182-V303 HydrophobicContact CG1-CG1 4.31Å |
| 183 | E | 95.5 | Very high | 94.4 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.019 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.2 | -47 | 174 | -75.7 | -178.3 | 151.9 | 0 | 0 | 111.8 | L179 E180 V185 A186 Q187 K235 V303 H314 L316 | L179-E183 HydrophobicContact CD1-CG 4Å; L179-E183 HydrophobicContact CG-CG 4.37Å; L179-E183 WeakPolarHBondContact O-CG 3.37Å; L179-E183 PolarHBondContact O-N 3.34Å; E180-E183 PolarHBondContact O-N 3.31Å; E183-V185 VanDerWaalsContact C-N 3.31Å; E183-V185 PolarHBondContact O-N 2.98Å; E183-A186 PolarHBondContact O-N 3.11Å; E183-Q187 VanDerWaalsContact O-CG 3.3Å; E183-Q187 WeakPolarHBondContact O-CG 3.28Å; E183-Q187 PolarHBondContact O-N 2.88Å; E183-K235 WeakPolarHBondContact OE2-CE 3.39Å; E183-K235 IonicContact OE2-NZ 3.76Å; E183-K235 PolarHBondContact OE2-NZ 3.46Å; E183-V303 HydrophobicContact CG-CB 4.37Å; E183-V303 HydrophobicContact CG-CG1 4.27Å; E183-V303 HydrophobicContact CG-CG2 4.17Å; E183-H314 WeakPolarHBondContact OE1-CB 3.32Å; E183-L316 HydrophobicContact CB-CD2 3.95Å; E183-L316 HydrophobicContact CG-CD2 3.94Å |
| 184 | L | 95.9 | Very high | 94.7 | Very high | 28 Ų | 28 | 35.5 Ų | 35.5 | 15% | 0.147 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.7 | -38.1 | 178.2 | -73.4 | 172.5 | 0 | 0 | 0 | 111.6 | I167 I176 E180 V181 Q188 Y243 | I167-L184 HydrophobicContact CD1-CB 3.76Å; I167-L184 HydrophobicContact CG2-CB 4.49Å; I167-L184 HydrophobicContact CG2-CD1 3.81Å; I176-L184 HydrophobicContact CD1-CD1 4.03Å; E180-L184 WeakPolarHBondContact O-CB 3.41Å; E180-L184 VanDerWaalsContact O-CG 3.25Å; E180-L184 WeakPolarHBondContact O-CG 3.27Å; E180-L184 PolarHBondContact O-N 3.33Å; V181-L184 PolarHBondContact O-N 3.43Å; L184-Q188 WeakPolarHBondContact O-CG 3.43Å; L184-Y243 HydrophobicContact CD2-CE2 4.07Å |
| 185 | V | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.6 | -52.6 | 171.9 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | I160 F163 M164 I167 V181 V182 E183 Q187 Q188 L189 | I160-V185 HydrophobicContact CG2-CG1 4.14Å; F163-V185 HydrophobicContact CB-CG2 4.15Å; F163-V185 HydrophobicContact CG-CG2 4.25Å; M164-V185 HydrophobicContact CB-CG2 4.44Å; M164-V185 HydrophobicContact CE-CG1 4.45Å; M164-V185 HydrophobicContact CG-CG2 3.66Å; I167-V185 HydrophobicContact CD1-CB 4.47Å; I167-V185 HydrophobicContact CD1-CG2 3.44Å; I167-V185 VanDerWaalsContact CD1-CG2 3.44Å; V181-V185 WeakPolarHBondContact O-CG2 3.32Å; V181-V185 PolarHBondContact O-N 3.31Å; V182-V185 PolarHBondContact O-N 3.28Å; E183-V185 VanDerWaalsContact C-N 3.31Å; E183-V185 PolarHBondContact O-N 2.98Å; V185-Q187 PolarHBondContact O-N 3.29Å; V185-Q187 VanDerWaalsContact O-N 3.15Å; V185-Q188 PolarHBondContact O-N 2.56Å; V185-L189 HydrophobicContact CG1-CD1 4.01Å; V185-L189 HydrophobicContact CG1-CD2 4.18Å; V185-L189 HydrophobicContact CG1-CG 4.04Å; V185-L189 WeakPolarHBondContact O-CG 3.48Å; V185-L189 PolarHBondContact O-N 2.92Å |
| 186 | A | 95.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.008 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.2 | -26 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | V182 E183 Q188 F193 R211 L316 | V182-A186 VanDerWaalsContact O-CB 3.29Å; V182-A186 WeakPolarHBondContact O-CB 3.38Å; V182-A186 PolarHBondContact O-N 3.01Å; E183-A186 PolarHBondContact O-N 3.11Å; A186-Q188 VanDerWaalsContact C-N 3.29Å; A186-F193 HydrophobicContact CB-CE2 4.36Å; A186-F193 HydrophobicContact CB-CZ 4.23Å; A186-R211 PolarHBondContact O-NH2 2.9Å; A186-L316 HydrophobicContact CB-CD1 3.78Å |
| 187 | Q | 94 | Very high | 95.7 | Very high | 96 Ų | 96 | 24.1 Ų | 24.1 | 45% | 0.449 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -67.4 | -27.1 | 171.5 | -75.1 | 173.6 | 8.9 | 0 | 0 | 113.5 | E183 V185 L316 | E183-Q187 VanDerWaalsContact O-CG 3.3Å; E183-Q187 WeakPolarHBondContact O-CG 3.28Å; E183-Q187 PolarHBondContact O-N 2.88Å; V185-Q187 PolarHBondContact O-N 3.29Å; V185-Q187 VanDerWaalsContact O-N 3.15Å; Q187-L316 HydrophobicContact CG-CD2 4.12Å |
| 188 | Q | 95.9 | Very high | 95.7 | Very high | 87 Ų | 87 | 22.7 Ų | 22.7 | 41% | 0.407 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -97.4 | -11.9 | -177.5 | -56.7 | -63.4 | -49.5 | 0 | 0 | 112.9 | N136 F163 L184 V185 A186 | N136-Q188 PolarHBondContact ND2-O 3.38Å; F163-Q188 HydrophobicContact CD1-CB 4.37Å; F163-Q188 HydrophobicContact CE1-CB 3.4Å; F163-Q188 HydrophobicContact CE1-CG 3.73Å; F163-Q188 HydrophobicContact CZ-CB 3.89Å; F163-Q188 HydrophobicContact CZ-CG 3.65Å; L184-Q188 WeakPolarHBondContact O-CG 3.43Å; V185-Q188 PolarHBondContact O-N 2.56Å; A186-Q188 VanDerWaalsContact C-N 3.29Å |
| 189 | L | 96 | Very high | 95.7 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | trans | -80.8 | 130 | 176.5 | -59.9 | -175.7 | 0 | 0 | 0 | 110.6 | I134 L140 I160 V185 F193 L195 R211 | I134-L189 HydrophobicContact CD1-CB 4.33Å; I134-L189 HydrophobicContact CD1-CD1 4.05Å; I134-L189 HydrophobicContact CD1-CD2 4.41Å; I134-L189 HydrophobicContact CD1-CG 4.48Å; I134-L189 HydrophobicContact CG2-CD2 4.04Å; L140-L189 HydrophobicContact CD1-CD2 3.71Å; I160-L189 HydrophobicContact CD1-CD1 4.18Å; I160-L189 HydrophobicContact CG1-CD1 4.16Å; I160-L189 HydrophobicContact CG1-CD2 4.16Å; V185-L189 HydrophobicContact CG1-CD1 4.01Å; V185-L189 HydrophobicContact CG1-CD2 4.18Å; V185-L189 HydrophobicContact CG1-CG 4.04Å; V185-L189 WeakPolarHBondContact O-CG 3.48Å; V185-L189 PolarHBondContact O-N 2.92Å; L189-F193 HydrophobicContact CB-CD1 4.03Å; L189-F193 HydrophobicContact CB-CE1 3.59Å; L189-F193 HydrophobicContact CB-CZ 4.23Å; L189-F193 HydrophobicContact CD1-CD1 4.21Å; L189-F193 HydrophobicContact CD1-CE1 4.2Å; L189-F193 HydrophobicContact CD1-CG 4.41Å; L189-F193 HydrophobicContact CD1-CZ 4.39Å; L189-L195 HydrophobicContact CD1-CD1 3.88Å; L189-R211 PolarHBondContact O-NH1 3.28Å | ||
| 190 | E | 94.3 | Very high | 95.5 | Very high | 117 Ų | 117 | 22.7 Ų | 22.7 | 55% | 0.547 | 12% | 0.12 | S | C | . | . | trans | -108.4 | 147.8 | 170 | -65.1 | 179.8 | -175.5 | 0 | 0 | 110.8 | I134 T135 N136 | I134-E190 CarbonylContact C-O 3.46Å; I134-E190 WeakPolarHBondContact CA-O 3.46Å; T135-E190 PolarHBondContact N-O 2.97Å; T135-E190 WeakPolarHBondContact OG1-CB 3.13Å; T135-E190 PolarHBondContact OG1-O 3.05Å; N136-E190 HydrophobicContact CB-CB 3.97Å; N136-E190 HydrophobicContact CB-CG 4.2Å; N136-E190 PolarHBondContact OD1-N 3.38Å | ||
| 191 | G | 90.6 | Very high | 95.3 | Very high | 33 Ų | 33 | 22.2 Ų | 22.2 | 34% | 0.34 | 12% | 0.116 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 108 | -149.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T135 | T135-G191 PolarHBondContact OG1-N 3.16Å |
| 192 | S | 90.5 | Very high | 95.2 | Very high | 27 Ų | 27 | 23.4 Ų | 23.4 | 19% | 0.189 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 134.7 | 178.2 | 178.8 | 0 | 0 | 0 | 0 | 109.8 | G132 I133 R211 G212 S213 | G132-S192 CarbonylContact C-O 3.59Å; G132-S192 WeakPolarHBondContact CA-O 3.17Å; I133-S192 CarbonylContact C-O 3.52Å; I133-S192 PolarHBondContact N-O 2.98Å; I133-S192 PolarHBondContact O-N 3.17Å; I133-S192 VanDerWaalsContact O-O 3.09Å; S192-R211 CarbonylContact C-O 3.53Å; S192-R211 WeakPolarHBondContact CA-O 3.23Å; S192-R211 PolarHBondContact OG-O 3.37Å; S192-G212 WeakPolarHBondContact OG-CA 3.45Å; S192-G212 PolarHBondContact OG-O 3.14Å; S192-S213 PolarHBondContact OG-N 2.82Å |
| 193 | F | 94.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 149.5 | 177.1 | 54.3 | -96.6 | 0 | 0 | 0 | 111.5 | H130 N131 I134 A186 L189 L195 A209 R210 R211 | H130-F193 WeakPolarHBondContact NE2-CB 3.44Å; N131-F193 CarbonylContact O-C 3.5Å; N131-F193 VanDerWaalsContact O-C 3.31Å; N131-F193 VanDerWaalsContact O-CA 3.23Å; N131-F193 WeakPolarHBondContact O-CA 3.5Å; I134-F193 HydrophobicContact CD1-CB 3.85Å; I134-F193 HydrophobicContact CD1-CD1 3.94Å; I134-F193 HydrophobicContact CD1-CG 4.24Å; A186-F193 HydrophobicContact CB-CE2 4.36Å; A186-F193 HydrophobicContact CB-CZ 4.23Å; L189-F193 HydrophobicContact CB-CD1 4.03Å; L189-F193 HydrophobicContact CB-CE1 3.59Å; L189-F193 HydrophobicContact CB-CZ 4.23Å; L189-F193 HydrophobicContact CD1-CD1 4.21Å; L189-F193 HydrophobicContact CD1-CE1 4.2Å; L189-F193 HydrophobicContact CD1-CG 4.41Å; L189-F193 HydrophobicContact CD1-CZ 4.39Å; F193-L195 HydrophobicContact CB-CD2 4.16Å; F193-L195 HydrophobicContact CB-CG 4.3Å; F193-L195 HydrophobicContact CD2-CD1 3.9Å; F193-L195 HydrophobicContact CD2-CG 3.86Å; F193-L195 HydrophobicContact CE2-CD1 4.33Å; F193-L195 HydrophobicContact CG-CG 4.42Å; F193-A209 HydrophobicContact CE2-CB 4.44Å; F193-R210 CarbonylContact O-C 3.59Å; F193-R210 VanDerWaalsContact O-CA 3.3Å; F193-R210 WeakPolarHBondContact O-CA 3.25Å; F193-R211 HydrophobicContact CD1-CB 4.34Å; F193-R211 HydrophobicContact CD2-CB 4.41Å; F193-R211 HydrophobicContact CE1-CB 3.95Å; F193-R211 HydrophobicContact CE2-CB 4.04Å; F193-R211 HydrophobicContact CZ-CB 3.8Å; F193-R211 PolarHBondContact N-O 3.24Å; F193-R211 PolarHBondContact O-N 3.44Å; F193-R211 VanDerWaalsContact O-O 3.1Å |
| 194 | A | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 129.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | I4 H130 N131 A209 R210 M215 | I4-A194 HydrophobicContact CD1-CB 4.33Å; I4-A194 WeakPolarHBondContact CD1-O 3.32Å; H130-A194 WeakPolarHBondContact CA-O 3.49Å; N131-A194 HydrophobicContact CB-CB 4.37Å; N131-A194 PolarHBondContact N-O 3.07Å; N131-A194 PolarHBondContact O-N 3.3Å; A194-A209 CarbonylContact C-O 3.56Å; A194-A209 WeakPolarHBondContact CA-O 3.44Å; A194-R210 HydrophobicContact CB-CB 4.22Å; A194-M215 HydrophobicContact CB-CB 4.33Å; A194-M215 HydrophobicContact CB-CE 3.82Å |
| 195 | L | 98 | Very high | 94.6 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 139.4 | -170 | -54.5 | 177.4 | 0 | 0 | 0 | 109.5 | V128 V129 H130 I160 L189 F193 T197 V208 A209 | V128-L195 HydrophobicContact CG2-CB 4.24Å; V128-L195 HydrophobicContact CG2-CD2 4.15Å; V129-L195 WeakPolarHBondContact O-CA 3.38Å; H130-L195 HydrophobicContact CB-CD2 3.75Å; H130-L195 VanDerWaalsContact CD2-CD2 3.44Å; H130-L195 WeakPolarHBondContact CD2-CD2 3.37Å; I160-L195 HydrophobicContact CD1-CD1 4.39Å; I160-L195 HydrophobicContact CD1-CD2 3.57Å; I160-L195 HydrophobicContact CG2-CD1 4.28Å; L189-L195 HydrophobicContact CD1-CD1 3.88Å; F193-L195 HydrophobicContact CB-CD2 4.16Å; F193-L195 HydrophobicContact CB-CG 4.3Å; F193-L195 HydrophobicContact CD2-CD1 3.9Å; F193-L195 HydrophobicContact CD2-CG 3.86Å; F193-L195 HydrophobicContact CE2-CD1 4.33Å; F193-L195 HydrophobicContact CG-CG 4.42Å; L195-T197 HydrophobicContact CB-CG2 4.41Å; L195-V208 WeakPolarHBondContact O-CA 3.16Å; L195-V208 WeakPolarHBondContact O-CB 3.36Å; L195-A209 PolarHBondContact N-O 3.22Å; L195-A209 PolarHBondContact O-N 3.49Å; L195-A209 VanDerWaalsContact O-N 3.15Å |
| 196 | A | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 128.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | I4 A6 V128 V129 V208 | I4-A196 HydrophobicContact CG2-CB 3.97Å; A6-A196 HydrophobicContact CB-CB 4.45Å; V128-A196 WeakPolarHBondContact CA-O 3.4Å; V129-A196 HydrophobicContact CG2-CB 3.68Å; V129-A196 PolarHBondContact N-O 3.12Å; V129-A196 PolarHBondContact O-N 3.43Å; A196-V208 HydrophobicContact CB-CG1 3.77Å |
| 197 | T | 98.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 143.9 | -166.3 | 66.3 | 0 | 0 | 0 | 0 | 110.9 | V128 M164 F178 V182 L195 V207 | V128-T197 HydrophobicContact CB-CG2 4.28Å; V128-T197 HydrophobicContact CG2-CG2 3.73Å; M164-T197 HydrophobicContact CE-CG2 3.42Å; M164-T197 VanDerWaalsContact CE-CG2 3.42Å; M164-T197 HydrophobicContact SD-CG2 4.11Å; F178-T197 WeakPolarHBondContact CZ-OG1 3.44Å; V182-T197 HydrophobicContact CG2-CG2 4.24Å; L195-T197 HydrophobicContact CB-CG2 4.41Å; T197-V207 PolarHBondContact N-O 3.25Å; T197-V207 PolarHBondContact OG1-O 3.01Å |
| 198 | K | 96.8 | Very high | 94.9 | Very high | 7 Ų | 7 | 21.9 Ų | 21.9 | 3% | 0.03 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 147.4 | 175.2 | 174.2 | -178.8 | -177.9 | 177 | 0 | 109.3 | D43 I63 V97 I99 V127 | D43-K198 VanDerWaalsContact OD1-CE 3.27Å; D43-K198 WeakPolarHBondContact OD1-CE 3.43Å; D43-K198 IonicContact OD1-NZ 3.49Å; D43-K198 PolarHBondContact OD1-NZ 3.13Å; D43-K198 IonicContact OD2-NZ 2.98Å; D43-K198 PolarHBondContact OD2-NZ 3.16Å; I63-K198 HydrophobicContact CD1-CD 4.23Å; I63-K198 HydrophobicContact CD1-CG 4.06Å; V97-K198 HydrophobicContact CB-CD 4.34Å; V97-K198 HydrophobicContact CG1-CB 4.46Å; V97-K198 HydrophobicContact CG1-CD 4.24Å; V97-K198 HydrophobicContact CG1-CG 4.42Å; V97-K198 WeakPolarHBondContact O-CD 3.44Å; V97-K198 WeakPolarHBondContact O-CE 3.46Å; V97-K198 PolarHBondContact O-NZ 3.39Å; I99-K198 HydrophobicContact CD1-CB 4.17Å; I99-K198 HydrophobicContact CG2-CB 4.32Å; V127-K198 HydrophobicContact CG2-CB 3.81Å; V127-K198 HydrophobicContact CG2-CG 4.28Å; V127-K198 WeakPolarHBondContact CG2-O 3.32Å; V127-K198 PolarHBondContact N-O 3.3Å; V127-K198 PolarHBondContact O-N 2.9Å |
| 199 | S | 95.8 | Very high | 95 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.014 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 148.9 | 178.4 | 179.6 | 0 | 0 | 0 | 0 | 111.6 | G125 F126 Y201 | G125-S199 VanDerWaalsContact O-CA 3.28Å; G125-S199 WeakPolarHBondContact O-CA 3.25Å; G125-S199 WeakPolarHBondContact O-CB 3.44Å; G125-S199 PolarHBondContact O-OG 3.28Å; F126-S199 WeakPolarHBondContact CE1-OG 3.34Å; S199-Y201 VanDerWaalsContact C-N 3.26Å; S199-Y201 WeakPolarHBondContact OG-CD2 3.4Å; S199-Y201 PolarHBondContact OG-N 3.15Å; S199-Y201 VanDerWaalsContact OG-N 3.1Å |
| 200 | C | 92.3 | Very high | 94.8 | Very high | 12 Ų | 12 | 17.9 Ų | 17.9 | 8% | 0.081 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -74.7 | -19 | 170.5 | 65.8 | 0 | 0 | 0 | 0 | 112.6 | T61 I63 G125 Y202 | T61-C200 HydrophobicContact CG2-CB 4.45Å; I63-C200 HydrophobicContact CD1-CB 4.05Å; I63-C200 HydrophobicContact CG1-CB 4.4Å; G125-C200 PolarHBondContact O-N 3.12Å; C200-Y202 VanDerWaalsContact C-N 3.31Å |
| 201 | Y | 92.5 | Very high | 94.6 | Very high | 47 Ų | 47 | 15 Ų | 15 | 18% | 0.184 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -78.8 | -17.6 | 177.6 | -48.5 | -59.9 | 0 | 0 | 0 | 112.6 | F126 Q165 Y168 S199 P203 | F126-Y201 HydrophobicContact CD2-CD2 4.16Å; F126-Y201 AromaticContact CD2-CE2 3.9Å; F126-Y201 HydrophobicContact CD2-CE2 3.9Å; F126-Y201 HydrophobicContact CE1-CD2 4.41Å; F126-Y201 AromaticContact CE2-CD2 3.48Å; F126-Y201 HydrophobicContact CE2-CD2 3.48Å; F126-Y201 VanDerWaalsContact CE2-CD2 3.48Å; F126-Y201 AromaticContact CE2-CE2 3.45Å; F126-Y201 HydrophobicContact CE2-CE2 3.45Å; F126-Y201 VanDerWaalsContact CE2-CE2 3.45Å; F126-Y201 AromaticContact CZ-CD2 3.62Å; F126-Y201 HydrophobicContact CZ-CD2 3.62Å; F126-Y201 HydrophobicContact CZ-CE2 4.1Å; Q165-Y201 PolarHBondContact NE2-OH 3.09Å; Q165-Y201 VanDerWaalsContact NE2-OH 3.17Å; Y168-Y201 HydrophobicContact CD1-CD2 4.06Å; Y168-Y201 AromaticContact CD1-CE2 3.93Å; Y168-Y201 HydrophobicContact CD1-CE2 3.93Å; Y168-Y201 HydrophobicContact CD2-CD2 4.2Å; Y168-Y201 HydrophobicContact CD2-CG 4.43Å; Y168-Y201 AromaticContact CE1-CD1 3.91Å; Y168-Y201 HydrophobicContact CE1-CD1 3.91Å; Y168-Y201 AromaticContact CE1-CD2 3.9Å; Y168-Y201 HydrophobicContact CE1-CD2 3.9Å; Y168-Y201 AromaticContact CE1-CE1 3.92Å; Y168-Y201 HydrophobicContact CE1-CE1 3.92Å; Y168-Y201 AromaticContact CE1-CE2 3.89Å; Y168-Y201 HydrophobicContact CE1-CE2 3.89Å; Y168-Y201 AromaticContact CE1-CG 3.91Å; Y168-Y201 HydrophobicContact CE1-CG 3.91Å; Y168-Y201 AromaticContact CE1-CZ 3.9Å; Y168-Y201 HydrophobicContact CE2-CD1 4.41Å; Y168-Y201 HydrophobicContact CE2-CD2 4.04Å; Y168-Y201 AromaticContact CE2-CG 3.82Å; Y168-Y201 HydrophobicContact CE2-CG 3.82Å; Y168-Y201 HydrophobicContact CG-CD2 4.21Å; Y168-Y201 HydrophobicContact CG-CE2 4.42Å; Y168-Y201 AromaticContact CZ-CD1 3.67Å; Y168-Y201 AromaticContact CZ-CD2 3.9Å; Y168-Y201 AromaticContact CZ-CG 3.53Å; Y168-Y201 WeakPolarHBondContact OH-CD1 3.14Å; S199-Y201 VanDerWaalsContact C-N 3.26Å; S199-Y201 WeakPolarHBondContact OG-CD2 3.4Å; S199-Y201 PolarHBondContact OG-N 3.15Å; S199-Y201 VanDerWaalsContact OG-N 3.1Å; Y201-P203 VanDerWaalsContact C-CD 3.49Å |
| 202 | Y | 93.7 | Very high | 94.4 | Very high | 26 Ų | 26 | 14.2 Ų | 14.2 | 10% | 0.102 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -129.5 | 65.3 | -179.3 | -55 | -82.4 | 0 | 0 | 0 | 110.2 | F126 Y168 I176 F178 V181 C200 E205 | F126-Y202 HydrophobicContact CE1-CD2 4.26Å; F126-Y202 HydrophobicContact CE1-CE2 4.06Å; F126-Y202 HydrophobicContact CZ-CE2 4.08Å; Y168-Y202 HydrophobicContact CD2-CE2 4.1Å; Y168-Y202 HydrophobicContact CE2-CE2 4.28Å; I176-Y202 WeakPolarHBondContact O-CE1 3.33Å; I176-Y202 PolarHBondContact O-OH 3.33Å; F178-Y202 HydrophobicContact CB-CD1 3.78Å; F178-Y202 HydrophobicContact CB-CD2 3.79Å; F178-Y202 HydrophobicContact CB-CE1 4.18Å; F178-Y202 HydrophobicContact CB-CE2 4.2Å; F178-Y202 HydrophobicContact CB-CG 3.56Å; F178-Y202 HydrophobicContact CD1-CD2 4.42Å; F178-Y202 HydrophobicContact CD1-CG 4.34Å; F178-Y202 AromaticContact CD2-CD2 3.79Å; F178-Y202 HydrophobicContact CD2-CD2 3.79Å; F178-Y202 HydrophobicContact CD2-CE2 4.12Å; F178-Y202 HydrophobicContact CD2-CG 4.39Å; F178-Y202 AromaticContact CG-CD2 3.75Å; F178-Y202 HydrophobicContact CG-CD2 3.75Å; F178-Y202 HydrophobicContact CG-CE2 4.35Å; F178-Y202 AromaticContact CG-CG 3.87Å; F178-Y202 HydrophobicContact CG-CG 3.87Å; V181-Y202 HydrophobicContact CG2-CE2 4.44Å; C200-Y202 VanDerWaalsContact C-N 3.31Å; Y202-E205 WeakPolarHBondContact O-CB 3.4Å; Y202-E205 PolarHBondContact O-N 2.81Å |
| 203 | P | 90.7 | Very high | 94.3 | Very high | 53 Ų | 53 | 13 Ų | 13 | 34% | 0.344 | 7% | 0.071 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 138.4 | -174.8 | 26.9 | -36.4 | 0 | 0 | 0 | 112 | P47 L52 Y201 E205 | P47-P203 HydrophobicContact CG-CB 4Å; L52-P203 HydrophobicContact CD2-CB 4.28Å; L52-P203 HydrophobicContact CD2-CG 3.29Å; Y201-P203 VanDerWaalsContact C-CD 3.49Å; P203-E205 PolarHBondContact O-N 3.34Å |
| 204 | G | 91 | Very high | 94.2 | Very high | 18 Ų | 18 | 13.7 Ų | 13.7 | 19% | 0.186 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 0.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 205 | E | 95.2 | Very high | 94.1 | Very high | 24 Ų | 24 | 13.8 Ų | 13.8 | 11% | 0.112 | 8% | 0.076 | C | C | . | . | trans | -99.9 | 144.9 | 175.8 | -56.5 | -168.6 | -170.1 | 0 | 0 | 111.6 | F178 Y202 P203 V306 R307 | F178-E205 HydrophobicContact CD1-CB 4Å; Y202-E205 WeakPolarHBondContact O-CB 3.4Å; Y202-E205 PolarHBondContact O-N 2.81Å; P203-E205 PolarHBondContact O-N 3.34Å; E205-V306 WeakPolarHBondContact CA-O 3.48Å; E205-R307 HydrophobicContact CG-CB 4.29Å; E205-R307 HydrophobicContact CG-CG 4.2Å; E205-R307 VanDerWaalsContact OE1-CD 3.3Å; E205-R307 WeakPolarHBondContact OE1-CD 3.46Å; E205-R307 VanDerWaalsContact OE1-CG 3.31Å; E205-R307 WeakPolarHBondContact OE1-CG 3.33Å; E205-R307 IonicContact OE1-NE 3.86Å; E205-R307 PolarHBondContact OE1-NE 3.34Å; E205-R307 VanDerWaalsContact OE1-NE 3.1Å | ||
| 206 | C | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 130.4 | 173.4 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | L8 V97 F281 V306 | L8-C206 HydrophobicContact CD1-CB 3.92Å; V97-C206 HydrophobicContact CG1-CB 3.87Å; V97-C206 HydrophobicContact CG2-CB 4.19Å; C206-F281 HydrophobicContact CB-CE2 4.21Å; C206-V306 PolarHBondContact N-O 3.3Å; C206-V306 PolarHBondContact O-N 2.84Å |
| 207 | V | 98.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.006 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129 | 175 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | F178 V182 T197 V303 A304 A305 | F178-V207 HydrophobicContact CB-CG2 4.1Å; F178-V207 HydrophobicContact CD1-CB 4.35Å; F178-V207 HydrophobicContact CD1-CG2 3.54Å; F178-V207 HydrophobicContact CD2-CG2 4.47Å; F178-V207 HydrophobicContact CE1-CB 4.37Å; F178-V207 HydrophobicContact CE1-CG2 4.02Å; F178-V207 HydrophobicContact CG-CG2 3.78Å; V182-V207 HydrophobicContact CB-CB 4.36Å; V182-V207 HydrophobicContact CB-CG1 3.73Å; V182-V207 HydrophobicContact CG1-CG1 3.84Å; V182-V207 HydrophobicContact CG2-CB 3.89Å; V182-V207 HydrophobicContact CG2-CG1 3.84Å; T197-V207 PolarHBondContact N-O 3.25Å; T197-V207 PolarHBondContact OG1-O 3.01Å; V207-V303 HydrophobicContact CG1-CG1 3.57Å; V207-A304 WeakPolarHBondContact CA-O 3.48Å; V207-A305 HydrophobicContact CG1-CB 4.39Å; V207-A305 HydrophobicContact CG2-CB 3.92Å |
| 208 | V | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 144.8 | 174.8 | -54.2 | 0 | 0 | 0 | 0 | 110 | L195 A196 M215 F281 L298 V303 A304 | L195-V208 WeakPolarHBondContact O-CA 3.16Å; L195-V208 WeakPolarHBondContact O-CB 3.36Å; A196-V208 HydrophobicContact CB-CG1 3.77Å; V208-M215 HydrophobicContact CB-CG 4.34Å; V208-M215 HydrophobicContact CG2-CG 4.2Å; V208-F281 HydrophobicContact CB-CD1 4.19Å; V208-F281 HydrophobicContact CG1-CB 4.02Å; V208-F281 HydrophobicContact CG1-CD1 3.44Å; V208-F281 VanDerWaalsContact CG1-CD1 3.44Å; V208-F281 HydrophobicContact CG1-CD2 4.37Å; V208-F281 HydrophobicContact CG1-CE1 3.93Å; V208-F281 HydrophobicContact CG1-CG 3.69Å; V208-F281 HydrophobicContact CG2-CD1 3.62Å; V208-F281 HydrophobicContact CG2-CE1 3.78Å; V208-L298 HydrophobicContact CG2-CD1 3.63Å; V208-V303 CarbonylContact O-C 3.41Å; V208-V303 WeakPolarHBondContact O-CA 3.22Å; V208-A304 HydrophobicContact CG2-CB 3.74Å; V208-A304 PolarHBondContact N-O 2.83Å; V208-A304 PolarHBondContact O-N 2.94Å |
| 209 | A | 96.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.008 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 148.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | V182 F193 A194 L195 D302 V303 | V182-A209 HydrophobicContact CG1-CB 4.14Å; F193-A209 HydrophobicContact CE2-CB 4.44Å; A194-A209 CarbonylContact C-O 3.56Å; A194-A209 WeakPolarHBondContact CA-O 3.44Å; L195-A209 PolarHBondContact N-O 3.22Å; L195-A209 PolarHBondContact O-N 3.49Å; L195-A209 VanDerWaalsContact O-N 3.15Å; A209-D302 WeakPolarHBondContact CA-O 3.29Å; A209-V303 HydrophobicContact CB-CG1 4.41Å; A209-V303 HydrophobicContact CB-CG2 4.11Å |
| 210 | R | 93.5 | Very high | 93.8 | Very high | 5 Ų | 5 | 18 Ų | 18 | 2% | 0.019 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 150.2 | 174.9 | 63.2 | 157.3 | -70.1 | 163.9 | 8.6 | 114.5 | F193 A194 S213 M215 L298 E299 D300 D301 D302 | F193-R210 CarbonylContact O-C 3.59Å; F193-R210 VanDerWaalsContact O-CA 3.3Å; F193-R210 WeakPolarHBondContact O-CA 3.25Å; A194-R210 HydrophobicContact CB-CB 4.22Å; R210-S213 PolarHBondContact NE-O 2.88Å; R210-S213 PolarHBondContact NH2-O 2.6Å; R210-M215 HydrophobicContact CB-CB 4.01Å; R210-M215 HydrophobicContact CG-CB 4.23Å; R210-L298 VanDerWaalsContact CD-C 3.49Å; R210-L298 VanDerWaalsContact CD-O 3.26Å; R210-L298 WeakPolarHBondContact CD-O 3.48Å; R210-L298 HydrophobicContact CG-CB 3.94Å; R210-L298 PolarHBondContact NH1-O 3.09Å; R210-E299 VanDerWaalsContact CD-O 3.26Å; R210-E299 WeakPolarHBondContact CD-O 3.33Å; R210-E299 WeakPolarHBondContact CG-O 3.34Å; R210-D300 IonicContact CZ-OD1 2.74Å; R210-D300 IonicContact NE-OD1 2.94Å; R210-D300 PolarHBondContact NE-OD1 3.23Å; R210-D300 IonicContact NH2-OD1 3.72Å; R210-D300 PolarHBondContact NH2-OD1 3.28Å; R210-D301 PolarHBondContact O-N 3.28Å; R210-D302 PolarHBondContact N-O 3.09Å |
| 211 | R | 90.1 | Very high | 93.8 | Very high | 57 Ų | 57 | 18.9 Ų | 18.9 | 22% | 0.215 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 114.3 | 169.1 | -173.6 | -178.3 | -67.6 | 149.5 | 5.2 | 108.9 | A186 L189 S192 F193 S213 D301 | A186-R211 PolarHBondContact O-NH2 2.9Å; L189-R211 PolarHBondContact O-NH1 3.28Å; S192-R211 CarbonylContact C-O 3.53Å; S192-R211 WeakPolarHBondContact CA-O 3.23Å; S192-R211 PolarHBondContact OG-O 3.37Å; F193-R211 HydrophobicContact CD1-CB 4.34Å; F193-R211 HydrophobicContact CD2-CB 4.41Å; F193-R211 HydrophobicContact CE1-CB 3.95Å; F193-R211 HydrophobicContact CE2-CB 4.04Å; F193-R211 HydrophobicContact CZ-CB 3.8Å; F193-R211 PolarHBondContact N-O 3.24Å; F193-R211 PolarHBondContact O-N 3.44Å; F193-R211 VanDerWaalsContact O-O 3.1Å; R211-S213 PolarHBondContact O-N 3.01Å; R211-S213 VanDerWaalsContact O-N 3.08Å; R211-D301 IonicContact CZ-OD1 3.45Å; R211-D301 IonicContact NE-OD1 3.29Å; R211-D301 PolarHBondContact NE-OD1 3.03Å; R211-D301 IonicContact NH2-OD1 3.27Å; R211-D301 PolarHBondContact NH2-OD1 2.85Å |
| 212 | G | 84.8 | Confident | 93.6 | Very high | 16 Ų | 16 | 21.4 Ų | 21.4 | 17% | 0.165 | 12% | 0.123 | C | C | . | . | B | Isolated β-bridge | trans | 71.6 | -4.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | S192 D300 | S192-G212 WeakPolarHBondContact OG-CA 3.45Å; S192-G212 PolarHBondContact OG-O 3.14Å; G212-D300 PolarHBondContact N-OD1 2.78Å; G212-D300 PolarHBondContact N-OD2 3.29Å |
| 213 | S | 89.7 | Confident | 93.3 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.014 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -124.9 | 138.5 | 174.4 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | S192 R210 R211 | S192-S213 PolarHBondContact OG-N 2.82Å; R210-S213 PolarHBondContact NE-O 2.88Å; R210-S213 PolarHBondContact NH2-O 2.6Å; R211-S213 PolarHBondContact O-N 3.01Å; R211-S213 VanDerWaalsContact O-N 3.08Å |
| 214 | P | 91.1 | Very high | 93.2 | Very high | 15 Ų | 15 | 28.6 Ų | 28.6 | 10% | 0.097 | 15% | 0.153 | C | C | . | . | trans | -59.1 | 137.9 | -179.4 | -27.5 | 36.9 | 0 | 0 | 0 | 114.5 | M1 E445 | M1-P214 HydrophobicContact CE-CG 3.73Å; M1-P214 HydrophobicContact SD-CG 4.4Å; P214-E445 HydrophobicContact CG-CG 3.67Å | ||
| 215 | M | 94.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | trans | -146.3 | 138.8 | 166.6 | -174.1 | 65.1 | 72.4 | 0 | 0 | 108.4 | I4 A194 V208 R210 F281 L298 | I4-M215 HydrophobicContact CB-CE 4.38Å; I4-M215 HydrophobicContact CD1-CE 3.78Å; I4-M215 HydrophobicContact CG2-CE 3.98Å; I4-M215 HydrophobicContact CG2-SD 4.49Å; A194-M215 HydrophobicContact CB-CB 4.33Å; A194-M215 HydrophobicContact CB-CE 3.82Å; V208-M215 HydrophobicContact CB-CG 4.34Å; V208-M215 HydrophobicContact CG2-CG 4.2Å; R210-M215 HydrophobicContact CB-CB 4.01Å; R210-M215 HydrophobicContact CG-CB 4.23Å; M215-F281 HydrophobicContact SD-CB 4.32Å; M215-L298 HydrophobicContact CB-CD1 4.14Å; M215-L298 HydrophobicContact CG-CD1 3.72Å; M215-L298 WeakPolarHBondContact O-CB 3.34Å; M215-L298 PolarHBondContact O-N 3.03Å; M215-L298 VanDerWaalsContact O-N 3.14Å | ||
| 216 | L | 94.7 | Very high | 92.7 | Very high | 9 Ų | 9 | 31.2 Ų | 31.2 | 5% | 0.047 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 153.3 | 179 | 40.7 | 79 | 0 | 0 | 0 | 110.6 | F281 A282 A285 L288 I296 F297 | L216-F281 WeakPolarHBondContact O-CA 3.38Å; L216-A282 HydrophobicContact CD1-CB 3.84Å; L216-A282 WeakPolarHBondContact CD1-O 3.18Å; L216-A282 VanDerWaalsContact CG-O 3.25Å; L216-A282 WeakPolarHBondContact CG-O 3.14Å; L216-A282 PolarHBondContact N-O 2.86Å; L216-A282 PolarHBondContact O-N 3.18Å; L216-A285 HydrophobicContact CD2-CB 4.19Å; L216-L288 HydrophobicContact CD1-CD1 3.23Å; L216-L288 HydrophobicContact CD1-CG 3.8Å; L216-I296 CarbonylContact C-O 3.57Å; L216-I296 VanDerWaalsContact CA-O 3.23Å; L216-I296 WeakPolarHBondContact CA-O 3.34Å; L216-I296 WeakPolarHBondContact CB-O 3.48Å; L216-F297 HydrophobicContact CB-CD1 4.35Å; L216-F297 HydrophobicContact CD2-CD1 4.02Å; L216-F297 HydrophobicContact CD2-CE1 3.69Å |
| 217 | V | 97.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 114.2 | -177.8 | -168.8 | 0 | 0 | 0 | 0 | 108.7 | I219 F279 F280 F281 V295 I296 L298 L311 | V217-I219 HydrophobicContact CG1-CG1 4.47Å; V217-F279 HydrophobicContact CG1-CD1 4.19Å; V217-F280 CarbonylContact C-O 3.45Å; V217-F280 WeakPolarHBondContact CA-O 3.4Å; V217-F281 HydrophobicContact CB-CD1 4.35Å; V217-F281 HydrophobicContact CB-CE1 4.34Å; V217-F281 HydrophobicContact CG1-CD1 4.09Å; V217-F281 HydrophobicContact CG1-CE1 3.77Å; V217-F281 HydrophobicContact CG1-CZ 4.29Å; V217-F281 HydrophobicContact CG2-CD1 3.74Å; V217-F281 HydrophobicContact CG2-CE1 3.73Å; V217-V295 CarbonylContact O-C 3.5Å; V217-V295 WeakPolarHBondContact O-CA 3.31Å; V217-I296 HydrophobicContact CB-CB 4.37Å; V217-I296 PolarHBondContact N-O 3.13Å; V217-I296 PolarHBondContact O-N 3.16Å; V217-L298 HydrophobicContact CG2-CD1 4.2Å; V217-L298 HydrophobicContact CG2-CD2 4.1Å; V217-L298 HydrophobicContact CG2-CG 4.18Å; V217-L311 HydrophobicContact CG1-CD2 4.07Å |
| 218 | G | 97.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 139.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F279 F280 K294 | G218-F279 WeakPolarHBondContact O-CA 3.32Å; G218-F280 PolarHBondContact N-O 2.82Å; G218-F280 PolarHBondContact O-N 2.82Å; G218-K294 WeakPolarHBondContact CA-O 3.38Å |
| 219 | I | 96.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.015 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 131 | -179.1 | -60.7 | 158.1 | 0 | 0 | 0 | 108.8 | V217 L225 L268 I277 F279 T292 K294 I296 L311 V326 | V217-I219 HydrophobicContact CG1-CG1 4.47Å; I219-L225 HydrophobicContact CG2-CD1 3.97Å; I219-L225 HydrophobicContact CG2-CD2 3.77Å; I219-L268 HydrophobicContact CD1-CD1 3.69Å; I219-L268 HydrophobicContact CD1-CD2 3.71Å; I219-L268 HydrophobicContact CD1-CG 4.38Å; I219-L268 HydrophobicContact CG1-CD2 4.25Å; I219-L268 HydrophobicContact CG2-CD2 4.05Å; I219-I277 HydrophobicContact CG2-CD1 4.06Å; I219-I277 HydrophobicContact CG2-CG1 4.44Å; I219-F279 HydrophobicContact CG1-CD1 4.04Å; I219-F279 HydrophobicContact CG1-CE1 4.1Å; I219-T292 WeakPolarHBondContact O-CB 3.26Å; I219-T292 WeakPolarHBondContact O-CG2 3.41Å; I219-T292 PolarHBondContact O-OG1 3.39Å; I219-K294 PolarHBondContact N-O 2.63Å; I219-I296 HydrophobicContact CD1-CD1 3.68Å; I219-I296 HydrophobicContact CD1-CG1 4.07Å; I219-L311 HydrophobicContact CD1-CD2 4.42Å; I219-V326 HydrophobicContact CD1-CG2 4.25Å |
| 220 | K | 95.6 | Very high | 90.8 | Very high | 88 Ų | 88 | 42.2 Ų | 42.2 | 38% | 0.383 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 121.1 | 172.1 | -179.1 | -176.3 | 169.4 | -142.3 | 0 | 108.8 | E278 F280 | K220-E278 HydrophobicContact CB-CB 4.29Å; K220-E278 VanDerWaalsContact CD-OE2 3.29Å; K220-E278 WeakPolarHBondContact CD-OE2 3.46Å; K220-E278 WeakPolarHBondContact CE-OE2 3.36Å; K220-E278 PolarHBondContact N-O 3.21Å; K220-E278 IonicContact NZ-OE2 2.68Å; K220-E278 PolarHBondContact NZ-OE2 3.41Å; K220-E278 PolarHBondContact O-N 3.22Å; K220-F280 HydrophobicContact CB-CE2 3.95Å; K220-F280 HydrophobicContact CD-CE2 4.41Å |
| 221 | S | 92.8 | Very high | 90.6 | Very high | 29 Ų | 29 | 43.8 Ų | 43.8 | 20% | 0.203 | 23% | 0.231 | C | C | . | . | trans | -137.5 | 143.5 | 170.7 | -175 | 0 | 0 | 0 | 0 | 108.5 | H223 E276 | S221-H223 PolarHBondContact O-N 3.4Å; S221-H223 PolarHBondContact OG-N 3.03Å; S221-E276 PolarHBondContact OG-O 3.26Å | ||
| 222 | P | 88.1 | Confident | 90.3 | Very high | 101 Ų | 101 | 41.6 Ų | 41.6 | 66% | 0.656 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -70.2 | -10.8 | 169.9 | 24.1 | -23.9 | 0 | 0 | 0 | 112.7 | E276 | P222-E276 WeakPolarHBondContact CD-O 3.4Å; P222-E276 HydrophobicContact CG-CB 4.24Å |
| 223 | H | 88.3 | Confident | 90.3 | Very high | 63 Ų | 63 | 43.2 Ų | 43.2 | 29% | 0.292 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -115.8 | 166.4 | -176.9 | -56.9 | -76.6 | 0 | 0 | 0 | 111.9 | S221 H274 E276 | S221-H223 PolarHBondContact O-N 3.4Å; S221-H223 PolarHBondContact OG-N 3.03Å; H223-H274 HydrophobicContact CB-CB 4.06Å; H223-H274 VanDerWaalsContact CD2-CB 3.45Å; H223-H274 WeakPolarHBondContact CD2-CB 3.15Å; H223-H274 AromaticContact CD2-CG 3.97Å; H223-H274 AromaticContact CE1-CE1 3.91Å; H223-H274 AromaticContact CE1-CG 3.58Å; H223-H274 AromaticContact CE1-ND1 3.4Å; H223-H274 PolarHBondContact CE1-ND1 3.49Å; H223-H274 VanDerWaalsContact CG-CB 3.49Å; H223-H274 AromaticContact CG-CG 3.88Å; H223-H274 AromaticContact ND1-CD2 4Å; H223-H274 AromaticContact ND1-CG 3.65Å; H223-H274 AromaticContact ND1-ND1 3.94Å; H223-H274 AromaticContact NE2-CG 3.8Å; H223-H274 AromaticContact NE2-ND1 3.59Å; H223-E276 IonicContact CD2-OE2 3.91Å; H223-E276 IonicContact NE2-OE2 2.91Å |
| 224 | E | 87.6 | Confident | 89.8 | Confident | 167 Ų | 167 | 46.2 Ų | 46.2 | 78% | 0.78 | 24% | 0.237 | S | C | * | . | trans | -61.7 | 144.8 | 174.9 | -66.7 | -173.1 | 169.5 | 0 | 0 | 110.9 | A271 | E224-A271 WeakPolarHBondContact O-CB 3.45Å; E224-A271 PolarHBondContact O-N 3.35Å | ||
| 225 | L | 89.1 | Confident | 88.7 | Confident | 42 Ų | 42 | 49.9 Ų | 49.9 | 22% | 0.22 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -81.8 | 147.1 | 176.5 | -57.7 | 177.9 | 0 | 0 | 0 | 109.9 | I219 M227 L268 S269 I277 | I219-L225 HydrophobicContact CG2-CD1 3.97Å; I219-L225 HydrophobicContact CG2-CD2 3.77Å; L225-M227 PolarHBondContact O-N 3.28Å; L225-M227 VanDerWaalsContact O-N 3.17Å; L225-L268 HydrophobicContact CD1-CD1 4.26Å; L225-L268 HydrophobicContact CD2-CD2 4.21Å; L225-S269 WeakPolarHBondContact CA-O 3.3Å; L225-I277 HydrophobicContact CD2-CD1 4.17Å |
| 226 | T | 86.7 | Confident | 86.6 | Confident | 55 Ų | 55 | 54.4 Ų | 54.4 | 34% | 0.337 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -59.2 | -26.7 | 176.4 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | F267 L268 S269 | T226-F267 HydrophobicContact CG2-CE2 4.44Å; T226-F267 PolarHBondContact OG1-O 3.33Å; T226-L268 WeakPolarHBondContact OG1-CA 3.39Å; T226-S269 PolarHBondContact N-O 3.14Å; T226-S269 PolarHBondContact OG1-N 3.36Å; T226-S269 VanDerWaalsContact OG1-N 3.11Å |
| 227 | M | 87.4 | Confident | 84 | Confident | 36 Ų | 36 | 60.5 Ų | 60.5 | 18% | 0.177 | 31% | 0.314 | C | S | . | . | trans | -160.7 | 156.6 | 178.2 | 62.3 | -166.4 | 62.8 | 0 | 0 | 112 | L225 H229 I230 H266 F267 L268 | L225-M227 PolarHBondContact O-N 3.28Å; L225-M227 VanDerWaalsContact O-N 3.17Å; M227-H229 VanDerWaalsContact SD-O 3.4Å; M227-I230 HydrophobicContact CG-CG1 4.44Å; M227-I230 HydrophobicContact SD-CG1 4.36Å; M227-H266 HydrophobicContact CE-CB 4.45Å; M227-F267 WeakPolarHBondContact CE-O 3.46Å; M227-L268 HydrophobicContact CG-CB 4.29Å; M227-L268 WeakPolarHBondContact O-CD1 3.38Å | ||
| 228 | N | 86.7 | Confident | 80.9 | Confident | 98 Ų | 98 | 66 Ų | 66 | 52% | 0.524 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -103.7 | -3.8 | 170.4 | -66.7 | -37.1 | 0 | 0 | 0 | 113.2 | V326 | N228-V326 PolarHBondContact O-N 3.32Š|
| 229 | H | 87.7 | Confident | 77.7 | Confident | 99 Ų | 99 | 70.7 Ų | 70.7 | 46% | 0.458 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 114.8 | 177.3 | -65.5 | 77.6 | 0 | 0 | 0 | 108.5 | M227 R324 | M227-H229 VanDerWaalsContact SD-O 3.4Å; H229-R324 CarbonylContact C-O 3.51Å; H229-R324 WeakPolarHBondContact CA-O 3.08Å |
| 230 | I | 88.6 | Confident | 74.4 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 123.5 | 178.9 | -49.8 | -173 | 0 | 0 | 0 | 108.5 | M227 L268 I296 L311 I313 T323 R324 | M227-I230 HydrophobicContact CG-CG1 4.44Å; M227-I230 HydrophobicContact SD-CG1 4.36Å; I230-L268 HydrophobicContact CD1-CB 3.5Å; I230-L268 HydrophobicContact CD1-CD1 3.77Å; I230-L268 HydrophobicContact CD1-CG 4.25Å; I230-L268 HydrophobicContact CG1-CB 3.96Å; I230-L268 HydrophobicContact CG1-CD1 4Å; I230-I296 HydrophobicContact CD1-CD1 3.33Å; I230-I296 HydrophobicContact CG1-CD1 4.08Å; I230-L311 HydrophobicContact CD1-CD2 3.72Å; I230-L311 HydrophobicContact CD1-CG 4.09Å; I230-I313 HydrophobicContact CB-CD1 4.35Å; I230-I313 HydrophobicContact CD1-CD1 4.15Å; I230-I313 HydrophobicContact CG2-CB 4.49Å; I230-I313 HydrophobicContact CG2-CD1 4.36Å; I230-I313 HydrophobicContact CG2-CG1 4.25Å; I230-T323 CarbonylContact O-C 3.42Å; I230-T323 VanDerWaalsContact O-CA 3.28Å; I230-T323 WeakPolarHBondContact O-CA 3.24Å; I230-R324 PolarHBondContact N-O 3.02Å; I230-R324 PolarHBondContact O-N 3.21Å |
| 231 | P | 88.5 | Confident | 71.3 | Confident | 38 Ų | 38 | 79.1 Ų | 79.1 | 25% | 0.247 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 144.1 | 171.4 | 28.6 | -31.8 | 0 | 0 | 0 | 110.8 | F233 H266 | P231-F233 HydrophobicContact CG-CZ 4.38Å; P231-H266 HydrophobicContact CG-CB 3.41Å; P231-H266 VanDerWaalsContact CG-CB 3.41Å |
| 232 | V | 84.9 | Confident | 68.1 | Low | 10 Ų | 10 | 86.2 Ų | 86.2 | 6% | 0.061 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 121 | 176 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | Y234 I313 R315 A322 R324 | V232-Y234 HydrophobicContact CG1-CE1 4.43Å; V232-Y234 WeakPolarHBondContact O-CD2 3.42Å; V232-Y234 WeakPolarHBondContact O-CE2 3.41Å; V232-I313 WeakPolarHBondContact CA-O 3.43Å; V232-I313 HydrophobicContact CG2-CG2 4.27Å; V232-R315 HydrophobicContact CG1-CB 3.48Å; V232-R315 VanDerWaalsContact CG1-CB 3.48Å; V232-R315 HydrophobicContact CG1-CG 4.44Å; V232-A322 PolarHBondContact N-O 3.34Å; V232-R324 HydrophobicContact CG2-CG 4.04Å |
| 233 | F | 84.2 | Confident | 65.5 | Low | 50 Ų | 50 | 88.6 Ų | 88.6 | 22% | 0.219 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 144.2 | 178.7 | -64.7 | -80.9 | 0 | 0 | 0 | 111.7 | P231 V264 H266 T312 I313 H314 R315 | P231-F233 HydrophobicContact CG-CZ 4.38Å; F233-V264 HydrophobicContact CE1-CG1 3.95Å; F233-V264 HydrophobicContact CE2-CG1 3.9Å; F233-V264 HydrophobicContact CZ-CG1 3.36Å; F233-H266 WeakPolarHBondContact CE2-O 3.4Å; F233-H266 HydrophobicContact CZ-CB 3.97Å; F233-H266 WeakPolarHBondContact CZ-O 3.32Å; F233-T312 HydrophobicContact CE2-CG2 4.39Å; F233-I313 WeakPolarHBondContact CD2-O 3.07Å; F233-I313 PolarHBondContact N-O 3.45Å; F233-H314 VanDerWaalsContact CB-ND1 3.34Å; F233-H314 WeakPolarHBondContact CB-ND1 3.49Å; F233-H314 AromaticContact CD2-CE1 3.94Å; F233-H314 AromaticContact CG-CE1 3.99Å; F233-H314 CarbonylContact O-C 3.53Å; F233-H314 WeakPolarHBondContact O-CA 3.27Å; F233-R315 PolarHBondContact O-N 3.29Å |
| 234 | Y | 78.4 | Confident | 62.6 | Low | 66 Ų | 66 | 89.7 Ų | 89.7 | 26% | 0.259 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 127.2 | 176.2 | -58.6 | -82.4 | 0 | 0 | 0 | 109 | V232 R315 S317 R318 A320 | V232-Y234 HydrophobicContact CG1-CE1 4.43Å; V232-Y234 WeakPolarHBondContact O-CD2 3.42Å; V232-Y234 WeakPolarHBondContact O-CE2 3.41Å; Y234-R315 HydrophobicContact CD1-CB 4.25Å; Y234-R315 HydrophobicContact CE1-CB 3.96Å; Y234-R315 HydrophobicContact CE1-CG 4.46Å; Y234-S317 WeakPolarHBondContact CE1-O 3.4Å; Y234-R318 HydrophobicContact CD1-CB 4.5Å; Y234-R318 HydrophobicContact CD1-CG 3.63Å; Y234-R318 HydrophobicContact CE1-CB 4.43Å; Y234-R318 HydrophobicContact CE1-CG 4.01Å; Y234-R318 HydrophobicContact CG-CG 4.13Å; Y234-A320 PolarHBondContact OH-O 3.23Å |
| 235 | K | 69.2 | Low | 60 | Low | 92 Ų | 92 | 86.5 Ų | 86.5 | 40% | 0.4 | 46% | 0.457 | S | S | . | . | trans | -62 | 135.8 | 166.5 | -82.3 | -178.9 | 166.6 | 174 | 0 | 109.6 | E180 E183 N237 | E180-K235 IonicContact OE1-NZ 3.1Å; E183-K235 WeakPolarHBondContact OE2-CE 3.39Å; E183-K235 IonicContact OE2-NZ 3.76Å; E183-K235 PolarHBondContact OE2-NZ 3.46Å; K235-N237 PolarHBondContact O-N 3.15Å | ||
| 236 | P | 48.6 | Very low | 57 | Low | 96 Ų | 96 | 93.1 Ų | 93.1 | 62% | 0.623 | 48% | 0.48 | S | S | * | . | trans | -59.8 | 130.9 | 170.3 | 22.8 | -29 | 0 | 0 | 0 | 108.5 | T238 | P236-T238 VanDerWaalsContact C-N 3.31Å; P236-T238 PolarHBondContact O-N 2.98Å | ||
| 237 | N | 40 | Very low | 54.2 | Low | 138 Ų | 138 | 96.3 Ų | 96.3 | 74% | 0.738 | 50% | 0.501 | S | S | * | . | trans | -59.1 | 92.9 | 173.8 | -92.8 | -8.8 | 0 | 0 | 0 | 109.1 | K235 S239 | K235-N237 PolarHBondContact O-N 3.15Å; N237-S239 PolarHBondContact O-N 2.99Å | ||
| 238 | T | 32.9 | Very low | 51.5 | Low | 116 Ų | 116 | 103.1 Ų | 103.1 | 71% | 0.712 | 54% | 0.537 | S | S | * | . | trans | -78 | 70.6 | 158.6 | 42.6 | 0 | 0 | 0 | 0 | 107.7 | P236 N240 | P236-T238 VanDerWaalsContact C-N 3.31Å; P236-T238 PolarHBondContact O-N 2.98Å; T238-N240 PolarHBondContact O-N 3.27Å | ||
| 239 | S | 29.5 | Very low | 48.8 | Very low | 98 Ų | 98 | 103.6 Ų | 103.6 | 69% | 0.685 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 80 | 168.5 | 57.1 | 0 | 0 | 0 | 0 | 109.1 | N237 | N237-S239 PolarHBondContact O-N 2.99Š|
| 240 | N | 28.4 | Very low | 46 | Very low | 162 Ų | 162 | 106 Ų | 106 | 87% | 0.866 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -173.6 | -5 | 154.2 | -98.5 | -15.5 | 0 | 0 | 0 | 116.6 | T238 K242 | T238-N240 PolarHBondContact O-N 3.27Å; N240-K242 VanDerWaalsContact C-N 3.35Å; N240-K242 PolarHBondContact O-N 3.3Å; N240-K242 VanDerWaalsContact O-N 3.1Å |
| 241 | T | 30 | Very low | 43.3 | Very low | 105 Ų | 105 | 113.7 Ų | 113.7 | 64% | 0.644 | 61% | 0.606 | S | S | * | * | trans | -85.1 | 83.6 | 166.1 | 43.8 | 0 | 0 | 0 | 0 | 109.5 | Y243 | T241-Y243 PolarHBondContact O-N 3.07Š| ||
| 242 | K | 26 | Very low | 40.5 | Very low | 178 Ų | 178 | 115.1 Ų | 115.1 | 77% | 0.774 | 63% | 0.627 | S | S | * | * | trans | -53.6 | 110 | 154.9 | -78.3 | -179.8 | 177.3 | 177.2 | 0 | 106.2 | N240 N244 | N240-K242 VanDerWaalsContact C-N 3.35Å; N240-K242 PolarHBondContact O-N 3.3Å; N240-K242 VanDerWaalsContact O-N 3.1Å; K242-N244 PolarHBondContact O-N 3.36Å | ||
| 243 | Y | 33.3 | Very low | 37.8 | Very low | 151 Ų | 151 | 123.9 Ų | 123.9 | 59% | 0.592 | 67% | 0.667 | S | S | * | * | trans | -63.2 | 79.2 | 156.1 | -78.5 | -80.2 | 0 | 0 | 0 | 107.1 | L184 T241 V245 | L184-Y243 HydrophobicContact CD2-CE2 4.07Å; T241-Y243 PolarHBondContact O-N 3.07Å; Y243-V245 PolarHBondContact O-N 2.91Å; Y243-V245 VanDerWaalsContact O-N 3.14Å | ||
| 244 | N | 27.5 | Very low | 35.2 | Very low | 86 Ų | 86 | 128.3 Ų | 128.3 | 46% | 0.46 | 70% | 0.698 | S | S | . | * | trans | -65.8 | 106.4 | 160.4 | -94 | -36.8 | 0 | 0 | 0 | 104.9 | K242 R246 | K242-N244 PolarHBondContact O-N 3.36Å; N244-R246 HydrophobicContact CB-CB 4.05Å; N244-R246 HydrophobicContact CB-CG 3.74Å; N244-R246 PolarHBondContact ND2-NE 3.13Å; N244-R246 PolarHBondContact O-N 3.37Å | ||
| 245 | V | 31.8 | Very low | 32.8 | Very low | 100 Ų | 100 | 134.2 Ų | 134.2 | 61% | 0.606 | 73% | 0.728 | S | S | * | * | trans | -62.9 | 75.8 | 149.2 | -175.6 | 0 | 0 | 0 | 0 | 106 | L143 Y243 | L143-V245 HydrophobicContact CD1-CG1 4.17Å; Y243-V245 PolarHBondContact O-N 2.91Å; Y243-V245 VanDerWaalsContact O-N 3.14Å | ||
| 246 | R | 27.1 | Very low | 30.9 | Very low | 182 Ų | 182 | 137 Ų | 137 | 69% | 0.687 | 75% | 0.746 | S | S | * | * | trans | -103.2 | 142.3 | 171.2 | -88.9 | 178.6 | -173.1 | -165.4 | 0.4 | 108.2 | N244 L248 | N244-R246 HydrophobicContact CB-CB 4.05Å; N244-R246 HydrophobicContact CB-CG 3.74Å; N244-R246 PolarHBondContact ND2-NE 3.13Å; N244-R246 PolarHBondContact O-N 3.37Å; R246-L248 PolarHBondContact O-N 3.42Å | ||
| 247 | P | 27.4 | Very low | 29.8 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | trans | -61.6 | 131.8 | 174.4 | -8.1 | 23.1 | 0 | 0 | 0 | 108.6 | S249 | P247-S249 PolarHBondContact O-N 2.62Å; P247-S249 VanDerWaalsContact O-N 3.12Å | ||
| 248 | L | 30.1 | Very low | 29.1 | Very low | 179 Ų | 179 | 136.3 Ų | 136.3 | 94% | 0.937 | 75% | 0.754 | S | S | * | * | trans | -58.2 | 112.5 | 175.8 | -83.8 | 142.7 | 0 | 0 | 0 | 110 | R246 | R246-L248 PolarHBondContact O-N 3.42Š| ||
| 249 | S | 30.4 | Very low | 28.9 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | -99.7 | 130.3 | 152.5 | 55.1 | 0 | 0 | 0 | 0 | 107.9 | P247 D251 | P247-S249 PolarHBondContact O-N 2.62Å; P247-S249 VanDerWaalsContact O-N 3.12Å; S249-D251 PolarHBondContact O-N 3.07Å | ||
| 250 | N | 28.7 | Very low | 28.8 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | trans | -48.3 | 119.3 | 172.2 | -71.4 | -15.5 | 0 | 0 | 0 | 111.1 | ||||
| 251 | D | 32.7 | Very low | 29.2 | Very low | 161 Ų | 161 | 133.9 Ų | 133.9 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | trans | 157.7 | 129.4 | 131.4 | -79.3 | -16.9 | 0 | 0 | 0 | 111.8 | S249 | S249-D251 PolarHBondContact O-N 3.07Š| ||
| 252 | G | 29.3 | Very low | 29.3 | Very low | 67 Ų | 67 | 137.2 Ų | 137.2 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | trans | 87.5 | 98.5 | 133.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 253 | H | 27.7 | Very low | 29.7 | Very low | 195 Ų | 195 | 137.1 Ų | 137.1 | 90% | 0.903 | 75% | 0.753 | S | S | * | * | trans | 56.7 | 114.9 | 143.2 | -77.5 | -81.3 | 0 | 0 | 0 | 119.7 | ||||
| 254 | V | 30.2 | Very low | 30.5 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 87% | 0.867 | 74% | 0.737 | S | S | * | * | trans | -131.8 | 127.9 | 152.3 | -178 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 255 | E | 27.8 | Very low | 31.7 | Very low | 190 Ų | 190 | 132.1 Ų | 132.1 | 89% | 0.888 | 74% | 0.741 | S | S | * | * | trans | -65.6 | 139.1 | -177.8 | -68.4 | 175.4 | 146.5 | 0 | 0 | 112.7 | ||||
| 256 | L | 28.2 | Very low | 33.6 | Very low | 151 Ų | 151 | 132 Ų | 132 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | trans | -79.2 | 115.6 | 177.6 | -76.4 | 145.2 | 0 | 0 | 0 | 110.5 | ||||
| 257 | G | 27.3 | Very low | 36 | Very low | 72 Ų | 72 | 125.1 Ų | 125.1 | 74% | 0.742 | 71% | 0.709 | S | S | * | * | trans | -87.6 | 112.7 | 161 | 0 | 0 | 0 | 0 | 0 | 109.6 | S259 | G257-S259 PolarHBondContact O-N 3.23Š| ||
| 258 | D | 24.6 | Very low | 38.8 | Very low | 147 Ų | 147 | 119.3 Ų | 119.3 | 79% | 0.786 | 67% | 0.671 | S | S | * | * | trans | -63.8 | 97.8 | 173.9 | -170.7 | 10.2 | 0 | 0 | 0 | 110 | ||||
| 259 | S | 28.4 | Very low | 41.4 | Very low | 112 Ų | 112 | 111 Ų | 111 | 78% | 0.783 | 63% | 0.628 | S | S | * | * | trans | -98.6 | 75.6 | 164.6 | 67.2 | 0 | 0 | 0 | 0 | 108.8 | G257 M261 | G257-S259 PolarHBondContact O-N 3.23Å; S259-M261 PolarHBondContact O-N 3.27Å | ||
| 260 | S | 28.5 | Very low | 43.7 | Very low | 87 Ų | 87 | 105.9 Ų | 105.9 | 61% | 0.608 | 59% | 0.592 | S | S | * | * | trans | -51.8 | 119.8 | 155.3 | 47.4 | 0 | 0 | 0 | 0 | 108.1 | E262 | S260-E262 VanDerWaalsContact C-N 3.29Å; S260-E262 PolarHBondContact O-N 2.86Å | ||
| 261 | M | 35.1 | Very low | 46 | Very low | 125 Ų | 125 | 100.2 Ų | 100.2 | 62% | 0.616 | 57% | 0.566 | S | S | * | * | trans | -62.6 | 96.4 | 168.6 | -131.8 | -173.3 | 168.8 | 0 | 0 | 106.1 | S259 Q263 V264 | S259-M261 PolarHBondContact O-N 3.27Å; M261-Q263 PolarHBondContact O-N 3.28Å; M261-V264 HydrophobicContact CE-CG2 3.73Å; M261-V264 HydrophobicContact CG-CG2 4.45Å; M261-V264 HydrophobicContact SD-CG2 4.26Å | ||
| 262 | E | 32.3 | Very low | 47.8 | Very low | 175 Ų | 175 | 99.3 Ų | 99.3 | 82% | 0.818 | 56% | 0.562 | S | S | * | * | trans | -44.9 | 127.9 | 164.4 | -79 | -177.2 | 151.6 | 0 | 0 | 107.4 | S260 V264 | S260-E262 VanDerWaalsContact C-N 3.29Å; S260-E262 PolarHBondContact O-N 2.86Å; E262-V264 PolarHBondContact O-N 3.28Å | ||
| 263 | Q | 35.7 | Very low | 49.9 | Very low | 176 Ų | 176 | 99.6 Ų | 99.6 | 82% | 0.822 | 57% | 0.565 | S | S | * | * | trans | -36.9 | 108.3 | -175.4 | -77.6 | 174.1 | -26 | 0 | 0 | 110.2 | M261 T265 | M261-Q263 PolarHBondContact O-N 3.28Å; Q263-T265 HydrophobicContact CB-CG2 4.31Å; Q263-T265 PolarHBondContact O-N 2.91Å | ||
| 264 | V | 49.6 | Very low | 52.3 | Low | 42 Ų | 42 | 94.5 Ų | 94.5 | 26% | 0.255 | 54% | 0.541 | S | S | . | . | trans | -66.1 | 92.4 | 172.2 | -178 | 0 | 0 | 0 | 0 | 105.7 | F233 M261 E262 H266 F267 T312 | F233-V264 HydrophobicContact CE1-CG1 3.95Å; F233-V264 HydrophobicContact CE2-CG1 3.9Å; F233-V264 HydrophobicContact CZ-CG1 3.36Å; M261-V264 HydrophobicContact CE-CG2 3.73Å; M261-V264 HydrophobicContact CG-CG2 4.45Å; M261-V264 HydrophobicContact SD-CG2 4.26Å; E262-V264 PolarHBondContact O-N 3.28Å; V264-H266 PolarHBondContact O-N 3.23Å; V264-F267 WeakPolarHBondContact O-CD1 3.49Å; V264-F267 WeakPolarHBondContact O-CE1 3.43Å; V264-T312 HydrophobicContact CG1-CG2 4.19Å | ||
| 265 | T | 53.6 | Low | 54.9 | Low | 90 Ų | 90 | 92.3 Ų | 92.3 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | trans | -78.1 | -5.8 | 179.7 | 48.5 | 0 | 0 | 0 | 0 | 112 | Q263 | Q263-T265 HydrophobicContact CB-CG2 4.31Å; Q263-T265 PolarHBondContact O-N 2.91Å | ||
| 266 | H | 70.5 | Confident | 58 | Low | 97 Ų | 97 | 86.3 Ų | 86.3 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | trans | -116.6 | 78.6 | -176 | -53.1 | -66.9 | 0 | 0 | 0 | 111.9 | M227 P231 F233 V264 | M227-H266 HydrophobicContact CE-CB 4.45Å; P231-H266 HydrophobicContact CG-CB 3.41Å; P231-H266 VanDerWaalsContact CG-CB 3.41Å; F233-H266 WeakPolarHBondContact CE2-O 3.4Å; F233-H266 HydrophobicContact CZ-CB 3.97Å; F233-H266 WeakPolarHBondContact CZ-O 3.32Å; V264-H266 PolarHBondContact O-N 3.23Å | ||
| 267 | F | 79 | Confident | 61.2 | Low | 39 Ų | 39 | 79.1 Ų | 79.1 | 17% | 0.171 | 45% | 0.451 | C | S | . | . | trans | -122.8 | 152.1 | 170.2 | 53.8 | -95.4 | 0 | 0 | 0 | 110.5 | T226 M227 V264 Q310 L311 T312 | T226-F267 HydrophobicContact CG2-CE2 4.44Å; T226-F267 PolarHBondContact OG1-O 3.33Å; M227-F267 WeakPolarHBondContact CE-O 3.46Å; V264-F267 WeakPolarHBondContact O-CD1 3.49Å; V264-F267 WeakPolarHBondContact O-CE1 3.43Å; F267-Q310 HydrophobicContact CB-CB 3.87Å; F267-Q310 HydrophobicContact CB-CG 4.43Å; F267-Q310 HydrophobicContact CD1-CG 4.44Å; F267-Q310 HydrophobicContact CD2-CB 3.88Å; F267-Q310 HydrophobicContact CD2-CG 3.54Å; F267-Q310 HydrophobicContact CE2-CG 3.9Å; F267-Q310 VanDerWaalsContact CE2-NE2 3.29Å; F267-Q310 HydrophobicContact CG-CB 3.87Å; F267-Q310 HydrophobicContact CG-CG 3.87Å; F267-L311 WeakPolarHBondContact CA-O 3.35Å; F267-T312 HydrophobicContact CB-CG2 3.92Å | ||
| 268 | L | 85.2 | Confident | 64.6 | Low | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 42% | 0.421 | C | S | . | . | B | Isolated β-bridge | trans | -88 | 125.3 | 167.7 | -172.7 | 150.7 | 0 | 0 | 0 | 109.7 | I219 L225 T226 M227 I230 I277 F279 I296 L311 V326 | I219-L268 HydrophobicContact CD1-CD1 3.69Å; I219-L268 HydrophobicContact CD1-CD2 3.71Å; I219-L268 HydrophobicContact CD1-CG 4.38Å; I219-L268 HydrophobicContact CG1-CD2 4.25Å; I219-L268 HydrophobicContact CG2-CD2 4.05Å; L225-L268 HydrophobicContact CD1-CD1 4.26Å; L225-L268 HydrophobicContact CD2-CD2 4.21Å; T226-L268 WeakPolarHBondContact OG1-CA 3.39Å; M227-L268 HydrophobicContact CG-CB 4.29Å; M227-L268 WeakPolarHBondContact O-CD1 3.38Å; I230-L268 HydrophobicContact CD1-CB 3.5Å; I230-L268 HydrophobicContact CD1-CD1 3.77Å; I230-L268 HydrophobicContact CD1-CG 4.25Å; I230-L268 HydrophobicContact CG1-CB 3.96Å; I230-L268 HydrophobicContact CG1-CD1 4Å; L268-I277 HydrophobicContact CD2-CD1 4.19Å; L268-F279 HydrophobicContact CD2-CE1 4Å; L268-F279 HydrophobicContact CD2-CZ 4.38Å; L268-I296 HydrophobicContact CD1-CD1 4.39Å; L268-L311 HydrophobicContact CB-CB 4.28Å; L268-L311 PolarHBondContact N-O 3.07Å; L268-L311 PolarHBondContact O-N 2.84Å; L268-V326 HydrophobicContact CD1-CG2 3.77Å |
| 269 | S | 84.8 | Confident | 68.1 | Low | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.021 | 38% | 0.383 | C | S | . | . | trans | -149.1 | 171.5 | 176.8 | 172.1 | 0 | 0 | 0 | 0 | 108.8 | L225 T226 | L225-S269 WeakPolarHBondContact CA-O 3.3Å; T226-S269 PolarHBondContact N-O 3.14Å; T226-S269 PolarHBondContact OG1-N 3.36Å; T226-S269 VanDerWaalsContact OG1-N 3.11Å | ||
| 270 | G | 78.3 | Confident | 71.4 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -59.4 | 152.1 | 156.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | H274 | G270-H274 CarbonylContact C-O 3.53Å; G270-H274 WeakPolarHBondContact CA-O 3.32Å |
| 271 | A | 76.6 | Confident | 74.7 | Confident | 31 Ų | 31 | 60.2 Ų | 60.2 | 26% | 0.256 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 158.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | E224 G273 H274 | E224-A271 WeakPolarHBondContact O-CB 3.45Å; E224-A271 PolarHBondContact O-N 3.35Å; A271-G273 PolarHBondContact O-N 2.91Å; A271-H274 CarbonylContact O-C 3.41Å; A271-H274 PolarHBondContact O-N 3.5Å; A271-H274 VanDerWaalsContact O-O 3.13Å |
| 272 | D | 70.4 | Confident | 77.7 | Confident | 143 Ų | 143 | 54.3 Ų | 54.3 | 77% | 0.765 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 128.9 | -179.5 | -76.5 | -28.3 | 0 | 0 | 0 | 111.9 | H274 | D272-H274 VanDerWaalsContact C-N 3.34Š|
| 273 | G | 73.7 | Confident | 80.6 | Confident | 73 Ų | 73 | 46 Ų | 46 | 75% | 0.753 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.5 | -12.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | A271 | A271-G273 PolarHBondContact O-N 2.91Š|
| 274 | H | 79.6 | Confident | 83.3 | Confident | 88 Ų | 88 | 38.5 Ų | 38.5 | 41% | 0.407 | 22% | 0.216 | S | C | . | . | trans | -134.1 | 80.3 | -176.7 | -67.8 | -66.5 | 0 | 0 | 0 | 111 | H223 G270 A271 D272 E276 | H223-H274 HydrophobicContact CB-CB 4.06Å; H223-H274 VanDerWaalsContact CD2-CB 3.45Å; H223-H274 WeakPolarHBondContact CD2-CB 3.15Å; H223-H274 AromaticContact CD2-CG 3.97Å; H223-H274 AromaticContact CE1-CE1 3.91Å; H223-H274 AromaticContact CE1-CG 3.58Å; H223-H274 AromaticContact CE1-ND1 3.4Å; H223-H274 PolarHBondContact CE1-ND1 3.49Å; H223-H274 VanDerWaalsContact CG-CB 3.49Å; H223-H274 AromaticContact CG-CG 3.88Å; H223-H274 AromaticContact ND1-CD2 4Å; H223-H274 AromaticContact ND1-CG 3.65Å; H223-H274 AromaticContact ND1-ND1 3.94Å; H223-H274 AromaticContact NE2-CG 3.8Å; H223-H274 AromaticContact NE2-ND1 3.59Å; G270-H274 CarbonylContact C-O 3.53Å; G270-H274 WeakPolarHBondContact CA-O 3.32Å; A271-H274 CarbonylContact O-C 3.41Å; A271-H274 PolarHBondContact O-N 3.5Å; A271-H274 VanDerWaalsContact O-O 3.13Å; D272-H274 VanDerWaalsContact C-N 3.34Å; H274-E276 VanDerWaalsContact C-N 3.32Å; H274-E276 VanDerWaalsContact CA-OE2 3.3Å; H274-E276 WeakPolarHBondContact CA-OE2 3.27Å | ||
| 275 | R | 84.6 | Confident | 85.4 | Confident | 97 Ų | 97 | 37.2 Ų | 37.2 | 37% | 0.366 | 21% | 0.21 | S | C | . | . | trans | -89.8 | 7.8 | -173.8 | -63.6 | -170 | 176.7 | -171.7 | 1.3 | 113.7 | Y10 I277 | Y10-R275 HydrophobicContact CD1-CB 4.5Å; Y10-R275 WeakPolarHBondContact CD1-O 3.4Å; Y10-R275 HydrophobicContact CE1-CB 4.06Å; R275-I277 PolarHBondContact O-N 3.22Å; R275-I277 VanDerWaalsContact O-N 3.12Å | ||
| 276 | E | 92.9 | Very high | 87.2 | Confident | 64 Ų | 64 | 33.2 Ų | 33.2 | 30% | 0.299 | 19% | 0.185 | S | C | . | . | trans | -63.4 | 110 | 175.3 | -61.7 | 95.8 | 148.2 | 0 | 0 | 110.5 | Q11 V12 S221 P222 H223 H274 | Q11-E276 HydrophobicContact CB-CG 4.42Å; Q11-E276 WeakPolarHBondContact O-CG 3.49Å; V12-E276 HydrophobicContact CG2-CB 3.97Å; S221-E276 PolarHBondContact OG-O 3.26Å; P222-E276 WeakPolarHBondContact CD-O 3.4Å; P222-E276 HydrophobicContact CG-CB 4.24Å; H223-E276 IonicContact CD2-OE2 3.91Å; H223-E276 IonicContact NE2-OE2 2.91Å; H274-E276 VanDerWaalsContact C-N 3.32Å; H274-E276 VanDerWaalsContact CA-OE2 3.3Å; H274-E276 WeakPolarHBondContact CA-OE2 3.27Å | ||
| 277 | I | 95.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 144.3 | -177.8 | -168.5 | 159.5 | 0 | 0 | 0 | 111 | Y10 I219 L225 L268 R275 F279 | Y10-I277 HydrophobicContact CD1-CG2 4.31Å; Y10-I277 PolarHBondContact N-O 2.83Å; Y10-I277 PolarHBondContact O-N 3.3Å; Y10-I277 VanDerWaalsContact O-N 3.08Å; I219-I277 HydrophobicContact CG2-CD1 4.06Å; I219-I277 HydrophobicContact CG2-CG1 4.44Å; L225-I277 HydrophobicContact CD2-CD1 4.17Å; L268-I277 HydrophobicContact CD2-CD1 4.19Å; R275-I277 PolarHBondContact O-N 3.22Å; R275-I277 VanDerWaalsContact O-N 3.12Å; I277-F279 HydrophobicContact CB-CE2 4.41Å; I277-F279 HydrophobicContact CD1-CE1 3.95Å; I277-F279 HydrophobicContact CD1-CE2 3.98Å; I277-F279 HydrophobicContact CD1-CZ 3.47Å; I277-F279 VanDerWaalsContact CD1-CZ 3.47Å; I277-F279 HydrophobicContact CG1-CD2 4.42Å; I277-F279 HydrophobicContact CG1-CE1 4.37Å; I277-F279 HydrophobicContact CG1-CE2 3.91Å; I277-F279 HydrophobicContact CG1-CZ 3.89Å; I277-F279 HydrophobicContact CG2-CD2 4.35Å; I277-F279 HydrophobicContact CG2-CE2 3.63Å; I277-F279 HydrophobicContact CG2-CZ 4.22Å |
| 278 | E | 97.3 | Very high | 89.1 | Confident | 20 Ų | 20 | 26.7 Ų | 26.7 | 9% | 0.093 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 131.5 | 173.8 | -56.3 | 178.6 | 85.4 | 0 | 0 | 109 | Y7 L8 V12 K220 F280 | Y7-E278 HydrophobicContact CE2-CB 4.14Å; Y7-E278 HydrophobicContact CE2-CG 4.3Å; Y7-E278 VanDerWaalsContact CE2-OE1 3.28Å; Y7-E278 WeakPolarHBondContact CE2-OE1 3.36Å; Y7-E278 PolarHBondContact OH-OE1 3.18Å; L8-E278 CarbonylContact O-C 3.01Å; L8-E278 VanDerWaalsContact O-CA 3.31Å; L8-E278 WeakPolarHBondContact O-CA 3.42Å; V12-E278 HydrophobicContact CB-CG 4.24Å; V12-E278 HydrophobicContact CG1-CG 4.24Å; V12-E278 HydrophobicContact CG2-CG 3.96Å; K220-E278 HydrophobicContact CB-CB 4.29Å; K220-E278 VanDerWaalsContact CD-OE2 3.29Å; K220-E278 WeakPolarHBondContact CD-OE2 3.46Å; K220-E278 WeakPolarHBondContact CE-OE2 3.36Å; K220-E278 PolarHBondContact N-O 3.21Å; K220-E278 IonicContact NZ-OE2 2.68Å; K220-E278 PolarHBondContact NZ-OE2 3.41Å; K220-E278 PolarHBondContact O-N 3.22Å; E278-F280 HydrophobicContact CB-CE2 3.73Å; E278-F280 HydrophobicContact CB-CZ 4.06Å |
| 279 | F | 97.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 138.2 | 173 | -62.8 | -82 | 0 | 0 | 0 | 110.1 | L8 V217 G218 I219 L268 I277 F281 V306 G309 L311 | L8-F279 HydrophobicContact CB-CB 4.33Å; L8-F279 HydrophobicContact CD2-CD2 4.13Å; L8-F279 PolarHBondContact N-O 2.87Å; L8-F279 PolarHBondContact O-N 3.44Å; V217-F279 HydrophobicContact CG1-CD1 4.19Å; G218-F279 WeakPolarHBondContact O-CA 3.32Å; I219-F279 HydrophobicContact CG1-CD1 4.04Å; I219-F279 HydrophobicContact CG1-CE1 4.1Å; L268-F279 HydrophobicContact CD2-CE1 4Å; L268-F279 HydrophobicContact CD2-CZ 4.38Å; I277-F279 HydrophobicContact CB-CE2 4.41Å; I277-F279 HydrophobicContact CD1-CE1 3.95Å; I277-F279 HydrophobicContact CD1-CE2 3.98Å; I277-F279 HydrophobicContact CD1-CZ 3.47Å; I277-F279 VanDerWaalsContact CD1-CZ 3.47Å; I277-F279 HydrophobicContact CG1-CD2 4.42Å; I277-F279 HydrophobicContact CG1-CE1 4.37Å; I277-F279 HydrophobicContact CG1-CE2 3.91Å; I277-F279 HydrophobicContact CG1-CZ 3.89Å; I277-F279 HydrophobicContact CG2-CD2 4.35Å; I277-F279 HydrophobicContact CG2-CE2 3.63Å; I277-F279 HydrophobicContact CG2-CZ 4.22Å; F279-F281 HydrophobicContact CB-CE2 4Å; F279-F281 HydrophobicContact CB-CZ 4.28Å; F279-V306 HydrophobicContact CD1-CG2 4.35Å; F279-V306 HydrophobicContact CD2-CG1 3.83Å; F279-V306 HydrophobicContact CD2-CG2 4.01Å; F279-V306 HydrophobicContact CE2-CG1 3.78Å; F279-V306 HydrophobicContact CE2-CG2 4.2Å; F279-V306 HydrophobicContact CG-CG2 4.07Å; F279-V306 HydrophobicContact CZ-CG2 4.45Å; F279-G309 WeakPolarHBondContact CE2-O 3.32Å; F279-L311 HydrophobicContact CD1-CD2 4.37Å; F279-L311 HydrophobicContact CE1-CB 3.66Å; F279-L311 HydrophobicContact CE1-CD2 3.98Å; F279-L311 HydrophobicContact CE1-CG 4.38Å; F279-L311 HydrophobicContact CZ-CB 3.85Å |
| 280 | F | 98.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 117 | 178.2 | -57.3 | -95.7 | 0 | 0 | 0 | 108.8 | F5 A6 Y7 T22 V217 G218 K220 E278 L288 H291 T292 | F5-F280 HydrophobicContact CE2-CD1 4.27Å; F5-F280 AromaticContact CZ-CD1 3.9Å; F5-F280 HydrophobicContact CZ-CD1 3.9Å; A6-F280 CarbonylContact O-C 3.57Å; A6-F280 WeakPolarHBondContact O-CA 3.44Å; Y7-F280 AromaticContact CD2-CD1 3.73Å; Y7-F280 HydrophobicContact CD2-CD1 3.73Å; Y7-F280 AromaticContact CD2-CE1 3.35Å; Y7-F280 HydrophobicContact CD2-CE1 3.35Å; Y7-F280 AromaticContact CD2-CZ 3.85Å; Y7-F280 HydrophobicContact CD2-CZ 3.85Å; Y7-F280 HydrophobicContact CE2-CD1 4.39Å; Y7-F280 AromaticContact CE2-CE1 3.59Å; Y7-F280 HydrophobicContact CE2-CE1 3.59Å; Y7-F280 AromaticContact CE2-CZ 3.65Å; Y7-F280 HydrophobicContact CE2-CZ 3.65Å; Y7-F280 HydrophobicContact CG-CE1 4.34Å; T22-F280 HydrophobicContact CG2-CE1 4.11Å; V217-F280 CarbonylContact C-O 3.45Å; V217-F280 WeakPolarHBondContact CA-O 3.4Å; G218-F280 PolarHBondContact N-O 2.82Å; G218-F280 PolarHBondContact O-N 2.82Å; K220-F280 HydrophobicContact CB-CE2 3.95Å; K220-F280 HydrophobicContact CD-CE2 4.41Å; E278-F280 HydrophobicContact CB-CE2 3.73Å; E278-F280 HydrophobicContact CB-CZ 4.06Å; F280-L288 HydrophobicContact CB-CD2 3.42Å; F280-L288 VanDerWaalsContact CB-CD2 3.42Å; F280-L288 HydrophobicContact CG-CD2 4.46Å; F280-H291 HydrophobicContact CD1-CB 4.22Å; F280-H291 AromaticContact CD1-CD2 3.74Å; F280-H291 HydrophobicContact CD2-CB 4.31Å; F280-H291 HydrophobicContact CE1-CB 3.78Å; F280-H291 AromaticContact CE1-CD2 3.57Å; F280-H291 AromaticContact CE1-CG 3.48Å; F280-H291 VanDerWaalsContact CE1-CG 3.48Å; F280-H291 AromaticContact CE1-ND1 3.9Å; F280-H291 HydrophobicContact CE2-CB 3.9Å; F280-H291 HydrophobicContact CG-CB 4.47Å; F280-H291 HydrophobicContact CZ-CB 3.63Å; F280-H291 AromaticContact CZ-CG 3.78Å; F280-T292 HydrophobicContact CD2-CG2 4.38Å |
| 281 | F | 98.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 130.4 | 175.2 | -55.1 | -92 | 0 | 0 | 0 | 108.9 | F5 A6 C206 V208 M215 L216 V217 F279 V306 | F5-F281 CarbonylContact C-O 3.39Å; F5-F281 VanDerWaalsContact CA-O 3.27Å; F5-F281 WeakPolarHBondContact CA-O 3.43Å; A6-F281 HydrophobicContact CB-CB 4.11Å; A6-F281 HydrophobicContact CB-CD2 4.14Å; A6-F281 PolarHBondContact N-O 2.97Å; A6-F281 PolarHBondContact O-N 2.89Å; C206-F281 HydrophobicContact CB-CE2 4.21Å; V208-F281 HydrophobicContact CB-CD1 4.19Å; V208-F281 HydrophobicContact CG1-CB 4.02Å; V208-F281 HydrophobicContact CG1-CD1 3.44Å; V208-F281 VanDerWaalsContact CG1-CD1 3.44Å; V208-F281 HydrophobicContact CG1-CD2 4.37Å; V208-F281 HydrophobicContact CG1-CE1 3.93Å; V208-F281 HydrophobicContact CG1-CG 3.69Å; V208-F281 HydrophobicContact CG2-CD1 3.62Å; V208-F281 HydrophobicContact CG2-CE1 3.78Å; M215-F281 HydrophobicContact SD-CB 4.32Å; L216-F281 WeakPolarHBondContact O-CA 3.38Å; V217-F281 HydrophobicContact CB-CD1 4.35Å; V217-F281 HydrophobicContact CB-CE1 4.34Å; V217-F281 HydrophobicContact CG1-CD1 4.09Å; V217-F281 HydrophobicContact CG1-CE1 3.77Å; V217-F281 HydrophobicContact CG1-CZ 4.29Å; V217-F281 HydrophobicContact CG2-CD1 3.74Å; V217-F281 HydrophobicContact CG2-CE1 3.73Å; F279-F281 HydrophobicContact CB-CE2 4Å; F279-F281 HydrophobicContact CB-CZ 4.28Å; F281-V306 HydrophobicContact CE2-CG2 4.46Å; F281-V306 HydrophobicContact CZ-CG2 3.7Å |
| 282 | A | 97.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 152.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I4 F5 L216 C284 A287 L288 | I4-A282 VanDerWaalsContact O-CA 3.24Å; I4-A282 WeakPolarHBondContact O-CA 3.45Å; F5-A282 HydrophobicContact CD2-CB 4.2Å; L216-A282 HydrophobicContact CD1-CB 3.84Å; L216-A282 WeakPolarHBondContact CD1-O 3.18Å; L216-A282 VanDerWaalsContact CG-O 3.25Å; L216-A282 WeakPolarHBondContact CG-O 3.14Å; L216-A282 PolarHBondContact N-O 2.86Å; L216-A282 PolarHBondContact O-N 3.18Å; A282-C284 VanDerWaalsContact C-N 3.25Å; A282-C284 WeakPolarHBondContact CB-O 3.37Å; A282-A287 HydrophobicContact CB-CB 4.12Å; A282-L288 HydrophobicContact CB-CD2 3.58Å; A282-L288 HydrophobicContact CB-CG 3.91Å |
| 283 | S | 94.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.014 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -81.4 | -5.1 | 169.7 | 63.5 | 0 | 0 | 0 | 0 | 113 | I4 N131 | I4-S283 PolarHBondContact N-OG 3.14Å; I4-S283 PolarHBondContact O-N 2.63Å; I4-S283 VanDerWaalsContact O-N 3.07Å; N131-S283 VanDerWaalsContact ND2-CB 3.26Å; N131-S283 WeakPolarHBondContact ND2-CB 3.41Å; N131-S283 PolarHBondContact ND2-OG 2.93Å |
| 284 | C | 92.4 | Very high | 93.8 | Very high | 18 Ų | 18 | 28.2 Ų | 28.2 | 12% | 0.122 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -151.9 | 142.6 | 175.1 | -169.5 | 0 | 0 | 0 | 0 | 111.8 | L30 Y32 R33 A282 S286 A287 | L30-C284 HydrophobicContact CD2-CB 3.59Å; Y32-C284 PolarHBondContact OH-SG 2.9Å; Y32-C284 VanDerWaalsContact OH-SG 3.39Å; R33-C284 PolarHBondContact NH2-SG 2.66Å; A282-C284 VanDerWaalsContact C-N 3.25Å; A282-C284 WeakPolarHBondContact CB-O 3.37Å; C284-S286 PolarHBondContact O-N 3.25Å; C284-A287 PolarHBondContact O-N 3.25Å |
| 285 | A | 92.4 | Very high | 94.5 | Very high | 15 Ų | 15 | 24 Ų | 24 | 12% | 0.124 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -62.2 | -21.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L216 A287 L288 I289 L329 M331 | L216-A285 HydrophobicContact CD2-CB 4.19Å; A285-A287 PolarHBondContact O-N 3.42Å; A285-L288 PolarHBondContact O-N 3.36Å; A285-I289 PolarHBondContact O-N 3.24Å; A285-I289 VanDerWaalsContact O-N 3.14Å; A285-L329 HydrophobicContact CB-CD1 3.72Å; A285-M331 HydrophobicContact CB-CE 3.74Å; A285-M331 WeakPolarHBondContact O-CE 3.47Å |
| 286 | S | 91.8 | Very high | 94.9 | Very high | 5 Ų | 5 | 19.4 Ų | 19.4 | 4% | 0.035 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -60 | -30.6 | 178.3 | 60.3 | 0 | 0 | 0 | 0 | 112.7 | R29 C284 L288 I336 | R29-S286 PolarHBondContact O-OG 3.37Å; C284-S286 PolarHBondContact O-N 3.25Å; S286-L288 VanDerWaalsContact C-N 3.3Å; S286-I336 WeakPolarHBondContact O-CD1 3.09Å |
| 287 | A | 94.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -81 | -9.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F5 R29 L30 A282 C284 A285 | F5-A287 HydrophobicContact CD2-CB 3.7Å; F5-A287 HydrophobicContact CE2-CB 4.1Å; F5-A287 VanDerWaalsContact CE2-O 3.31Å; F5-A287 WeakPolarHBondContact CE2-O 3.42Å; R29-A287 HydrophobicContact CB-CB 4.08Å; L30-A287 HydrophobicContact CD1-CB 3.98Å; L30-A287 HydrophobicContact CD2-CB 3.96Å; L30-A287 HydrophobicContact CG-CB 3.85Å; A282-A287 HydrophobicContact CB-CB 4.12Å; C284-A287 PolarHBondContact O-N 3.25Å; A285-A287 PolarHBondContact O-N 3.42Å |
| 288 | L | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -32.9 | -177.2 | -60.3 | -161.7 | 0 | 0 | 0 | 113.2 | F5 L216 F280 A282 A285 S286 E290 H291 T292 V295 | F5-L288 HydrophobicContact CE2-CD2 4.12Å; L216-L288 HydrophobicContact CD1-CD1 3.23Å; L216-L288 HydrophobicContact CD1-CG 3.8Å; F280-L288 HydrophobicContact CB-CD2 3.42Å; F280-L288 VanDerWaalsContact CB-CD2 3.42Å; F280-L288 HydrophobicContact CG-CD2 4.46Å; A282-L288 HydrophobicContact CB-CD2 3.58Å; A282-L288 HydrophobicContact CB-CG 3.91Å; A285-L288 PolarHBondContact O-N 3.36Å; S286-L288 VanDerWaalsContact C-N 3.3Å; L288-E290 PolarHBondContact O-N 2.92Å; L288-E290 VanDerWaalsContact O-N 3.1Å; L288-H291 WeakPolarHBondContact O-CA 3.49Å; L288-H291 WeakPolarHBondContact O-CB 3.27Å; L288-H291 PolarHBondContact O-N 2.96Å; L288-T292 PolarHBondContact O-N 3.39Å; L288-T292 VanDerWaalsContact O-O 3.14Å; L288-V295 HydrophobicContact CD1-CG1 3.8Å |
| 289 | I | 93.4 | Very high | 94.3 | Very high | 20 Ų | 20 | 19.7 Ų | 19.7 | 10% | 0.103 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20.9 | -165.6 | -161.1 | 58.5 | 0 | 0 | 0 | 114.3 | A285 D293 L329 M331 L333 I336 | A285-I289 PolarHBondContact O-N 3.24Å; A285-I289 VanDerWaalsContact O-N 3.14Å; I289-D293 HydrophobicContact CD1-CB 4.04Å; I289-L329 HydrophobicContact CD1-CB 4.23Å; I289-L329 HydrophobicContact CD1-CD1 4.26Å; I289-M331 HydrophobicContact CB-CE 3.57Å; I289-M331 HydrophobicContact CD1-CB 4.37Å; I289-M331 HydrophobicContact CD1-CE 4.37Å; I289-M331 VanDerWaalsContact CD1-O 3.27Å; I289-M331 WeakPolarHBondContact CD1-O 3.44Å; I289-M331 HydrophobicContact CG1-CB 4.37Å; I289-M331 HydrophobicContact CG1-CE 3.9Å; I289-M331 HydrophobicContact CG1-CG 4.35Å; I289-M331 WeakPolarHBondContact CG1-O 3.36Å; I289-M331 HydrophobicContact CG2-CE 3.82Å; I289-L333 HydrophobicContact CG2-CD1 4.22Å; I289-I336 HydrophobicContact CG2-CD1 3.58Å; I289-I336 HydrophobicContact CG2-CG1 4.3Å |
| 290 | E | 93.8 | Very high | 93.8 | Very high | 53 Ų | 53 | 21.4 Ų | 21.4 | 25% | 0.248 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -15.5 | 172.5 | 71.7 | -170.2 | 127.1 | 0 | 0 | 113.3 | R29 L288 L333 | R29-E290 VanDerWaalsContact CG-OE1 3.25Å; R29-E290 WeakPolarHBondContact CG-OE1 3.4Å; R29-E290 IonicContact CZ-OE1 3.92Å; R29-E290 IonicContact CZ-OE2 3.2Å; R29-E290 IonicContact NE-OE1 3.64Å; R29-E290 PolarHBondContact NE-OE1 3.45Å; R29-E290 IonicContact NE-OE2 2.63Å; R29-E290 PolarHBondContact NE-OE2 3.11Å; R29-E290 IonicContact NH2-OE1 3.59Å; R29-E290 IonicContact NH2-OE2 3.36Å; R29-E290 PolarHBondContact NH2-OE2 3.45Å; L288-E290 PolarHBondContact O-N 2.92Å; L288-E290 VanDerWaalsContact O-N 3.1Å; E290-L333 HydrophobicContact CB-CD1 3.83Å; E290-L333 HydrophobicContact CB-CD2 4.18Å |
| 291 | H | 95.3 | Very high | 93.5 | Very high | 45 Ų | 45 | 22.9 Ų | 22.9 | 21% | 0.208 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -42.8 | -180 | -57.1 | -60.6 | 0 | 0 | 0 | 112.5 | F280 L288 | F280-H291 HydrophobicContact CD1-CB 4.22Å; F280-H291 AromaticContact CD1-CD2 3.74Å; F280-H291 HydrophobicContact CD2-CB 4.31Å; F280-H291 HydrophobicContact CE1-CB 3.78Å; F280-H291 AromaticContact CE1-CD2 3.57Å; F280-H291 AromaticContact CE1-CG 3.48Å; F280-H291 VanDerWaalsContact CE1-CG 3.48Å; F280-H291 AromaticContact CE1-ND1 3.9Å; F280-H291 HydrophobicContact CE2-CB 3.9Å; F280-H291 HydrophobicContact CG-CB 4.47Å; F280-H291 HydrophobicContact CZ-CB 3.63Å; F280-H291 AromaticContact CZ-CG 3.78Å; L288-H291 WeakPolarHBondContact O-CA 3.49Å; L288-H291 WeakPolarHBondContact O-CB 3.27Å; L288-H291 PolarHBondContact O-N 2.96Å |
| 292 | T | 95.1 | Very high | 93.2 | Very high | 16 Ų | 16 | 22.9 Ų | 22.9 | 10% | 0.098 | 12% | 0.116 | C | C | . | . | trans | -160.4 | 148.5 | -177.5 | -175.5 | 0 | 0 | 0 | 0 | 112.4 | I219 F280 L288 K294 | I219-T292 WeakPolarHBondContact O-CB 3.26Å; I219-T292 WeakPolarHBondContact O-CG2 3.41Å; I219-T292 PolarHBondContact O-OG1 3.39Å; F280-T292 HydrophobicContact CD2-CG2 4.38Å; L288-T292 PolarHBondContact O-N 3.39Å; L288-T292 VanDerWaalsContact O-O 3.14Å; T292-K294 PolarHBondContact OG1-N 3.21Å; T292-K294 VanDerWaalsContact OG1-N 3.1Å | ||
| 293 | D | 93.9 | Very high | 93.2 | Very high | 67 Ų | 67 | 22.9 Ų | 22.9 | 36% | 0.358 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -96.2 | -7.2 | 170.2 | 67.7 | -1 | 0 | 0 | 0 | 113 | I289 T328 L329 | I289-D293 HydrophobicContact CD1-CB 4.04Å; D293-T328 HydrophobicContact CB-CG2 4.33Å; D293-T328 CarbonylContact O-C 3.51Å; D293-T328 WeakPolarHBondContact O-CA 3.45Å; D293-T328 WeakPolarHBondContact OD2-CG2 3.33Å; D293-L329 PolarHBondContact O-N 3.32Å |
| 294 | K | 94.8 | Very high | 93.2 | Very high | 81 Ų | 81 | 22.8 Ų | 22.8 | 35% | 0.352 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 111.5 | 178.9 | -58.4 | -59.4 | 176.9 | 176.7 | 0 | 109.9 | G218 I219 T292 V326 T328 | G218-K294 WeakPolarHBondContact CA-O 3.38Å; I219-K294 PolarHBondContact N-O 2.63Å; T292-K294 PolarHBondContact OG1-N 3.21Å; T292-K294 VanDerWaalsContact OG1-N 3.1Å; K294-V326 HydrophobicContact CB-CG1 3.94Å; K294-V326 HydrophobicContact CD-CG1 4.38Å; K294-T328 PolarHBondContact NZ-OG1 3.15Å |
| 295 | V | 94.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 152.6 | -176.1 | -54.3 | 0 | 0 | 0 | 0 | 113 | V217 L288 F297 V327 L329 | V217-V295 CarbonylContact O-C 3.5Å; V217-V295 WeakPolarHBondContact O-CA 3.31Å; L288-V295 HydrophobicContact CD1-CG1 3.8Å; V295-F297 HydrophobicContact CG2-CD2 4.21Å; V295-F297 HydrophobicContact CG2-CE2 3.69Å; V295-F297 HydrophobicContact CG2-CZ 4.1Å; V295-V327 PolarHBondContact N-O 3.02Å; V295-V327 PolarHBondContact O-N 3.3Å; V295-L329 HydrophobicContact CB-CD1 4.5Å; V295-L329 HydrophobicContact CG1-CD1 3.61Å; V295-L329 HydrophobicContact CG1-CG 4.01Å; V295-L329 HydrophobicContact CG2-CD1 4.06Å; V295-L329 HydrophobicContact CG2-CD2 3.68Å; V295-L329 HydrophobicContact CG2-CG 3.65Å |
| 296 | I | 94.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 123.7 | 167.9 | -58.7 | 175.5 | 0 | 0 | 0 | 107.8 | L216 V217 I219 I230 L268 L298 L311 I313 R324 V326 | L216-I296 CarbonylContact C-O 3.57Å; L216-I296 VanDerWaalsContact CA-O 3.23Å; L216-I296 WeakPolarHBondContact CA-O 3.34Å; L216-I296 WeakPolarHBondContact CB-O 3.48Å; V217-I296 HydrophobicContact CB-CB 4.37Å; V217-I296 PolarHBondContact N-O 3.13Å; V217-I296 PolarHBondContact O-N 3.16Å; I219-I296 HydrophobicContact CD1-CD1 3.68Å; I219-I296 HydrophobicContact CD1-CG1 4.07Å; I230-I296 HydrophobicContact CD1-CD1 3.33Å; I230-I296 HydrophobicContact CG1-CD1 4.08Å; L268-I296 HydrophobicContact CD1-CD1 4.39Å; I296-L298 HydrophobicContact CG2-CD2 4.33Å; I296-L311 HydrophobicContact CD1-CD2 3.97Å; I296-I313 HydrophobicContact CG2-CD1 4.09Å; I296-R324 HydrophobicContact CG2-CB 3.73Å; I296-R324 HydrophobicContact CG2-CG 4.36Å; I296-V326 HydrophobicContact CD1-CG2 3.94Å; I296-V326 HydrophobicContact CG1-CB 4.5Å; I296-V326 HydrophobicContact CG1-CG2 3.86Å |
| 297 | F | 91.8 | Very high | 93.7 | Very high | 45 Ų | 45 | 27 Ų | 27 | 20% | 0.197 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 116.3 | 170.6 | -68.7 | -86.3 | 0 | 0 | 0 | 109.1 | L216 V295 L329 | L216-F297 HydrophobicContact CB-CD1 4.35Å; L216-F297 HydrophobicContact CD2-CD1 4.02Å; L216-F297 HydrophobicContact CD2-CE1 3.69Å; V295-F297 HydrophobicContact CG2-CD2 4.21Å; V295-F297 HydrophobicContact CG2-CE2 3.69Å; V295-F297 HydrophobicContact CG2-CZ 4.1Å; F297-L329 HydrophobicContact CE2-CD2 4.2Å; F297-L329 HydrophobicContact CZ-CD2 3.87Å |
| 298 | L | 92.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -74 | 145.7 | 171.9 | -56.6 | -175.3 | 0 | 0 | 0 | 109 | V208 R210 M215 V217 I296 D302 A304 I313 | V208-L298 HydrophobicContact CG2-CD1 3.63Å; R210-L298 VanDerWaalsContact CD-C 3.49Å; R210-L298 VanDerWaalsContact CD-O 3.26Å; R210-L298 WeakPolarHBondContact CD-O 3.48Å; R210-L298 HydrophobicContact CG-CB 3.94Å; R210-L298 PolarHBondContact NH1-O 3.09Å; M215-L298 HydrophobicContact CB-CD1 4.14Å; M215-L298 HydrophobicContact CG-CD1 3.72Å; M215-L298 WeakPolarHBondContact O-CB 3.34Å; M215-L298 PolarHBondContact O-N 3.03Å; M215-L298 VanDerWaalsContact O-N 3.14Å; V217-L298 HydrophobicContact CG2-CD1 4.2Å; V217-L298 HydrophobicContact CG2-CD2 4.1Å; V217-L298 HydrophobicContact CG2-CG 4.18Å; I296-L298 HydrophobicContact CG2-CD2 4.33Å; L298-D302 HydrophobicContact CB-CB 4.24Å; L298-A304 HydrophobicContact CD1-CB 3.97Å; L298-A304 HydrophobicContact CD2-CB 4.06Å; L298-I313 HydrophobicContact CD2-CD1 3.99Å |
| 299 | E | 89.2 | Confident | 93.3 | Very high | 46 Ų | 46 | 31 Ų | 31 | 22% | 0.215 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -102 | 172 | 172.4 | -62.6 | -178.4 | 165.4 | 0 | 0 | 110.8 | R210 D301 D302 R315 R324 | R210-E299 VanDerWaalsContact CD-O 3.26Å; R210-E299 WeakPolarHBondContact CD-O 3.33Å; R210-E299 WeakPolarHBondContact CG-O 3.34Å; E299-D301 PolarHBondContact O-N 2.77Å; E299-D302 PolarHBondContact N-OD2 2.83Å; E299-D302 VanDerWaalsContact O-CB 3.3Å; E299-D302 WeakPolarHBondContact O-CB 3.3Å; E299-D302 PolarHBondContact O-N 2.94Å; E299-R315 IonicContact OE2-CZ 3.22Å; E299-R315 IonicContact OE2-NH1 3.8Å; E299-R315 PolarHBondContact OE2-NH1 3.09Å; E299-R315 IonicContact OE2-NH2 2.74Å; E299-R315 PolarHBondContact OE2-NH2 3.04Å; E299-R324 VanDerWaalsContact CD-CZ 3.43Å; E299-R324 IonicContact OE2-CZ 2.69Å; E299-R324 IonicContact OE2-NH1 2.71Å; E299-R324 PolarHBondContact OE2-NH1 3.48Å; E299-R324 IonicContact OE2-NH2 2.82Å; E299-R324 PolarHBondContact OE2-NH2 3.49Å |
| 300 | D | 87.2 | Confident | 93.3 | Very high | 36 Ų | 36 | 32.4 Ų | 32.4 | 19% | 0.193 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 140.2 | 176.1 | -72 | -3.5 | 0 | 0 | 0 | 111.3 | R210 G212 D302 R315 R454 | R210-D300 IonicContact CZ-OD1 2.74Å; R210-D300 IonicContact NE-OD1 2.94Å; R210-D300 PolarHBondContact NE-OD1 3.23Å; R210-D300 IonicContact NH2-OD1 3.72Å; R210-D300 PolarHBondContact NH2-OD1 3.28Å; G212-D300 PolarHBondContact N-OD1 2.78Å; G212-D300 PolarHBondContact N-OD2 3.29Å; D300-D302 PolarHBondContact O-N 2.84Å; D300-R315 PolarHBondContact O-NE 3.32Å; D300-R315 PolarHBondContact O-NH2 2.74Å; D300-R454 IonicContact OD2-NH2 3.1Å |
| 301 | D | 90.5 | Very high | 93.4 | Very high | 31 Ų | 31 | 29.9 Ų | 29.9 | 17% | 0.166 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 7.5 | -175.1 | -60.9 | -49.9 | 0 | 0 | 0 | 116 | R210 R211 E299 R315 L316 | R210-D301 PolarHBondContact O-N 3.28Å; R211-D301 IonicContact CZ-OD1 3.45Å; R211-D301 IonicContact NE-OD1 3.29Å; R211-D301 PolarHBondContact NE-OD1 3.03Å; R211-D301 IonicContact NH2-OD1 3.27Å; R211-D301 PolarHBondContact NH2-OD1 2.85Å; E299-D301 PolarHBondContact O-N 2.77Å; D301-R315 HydrophobicContact CB-CG 4.2Å; D301-R315 WeakPolarHBondContact O-CA 3.26Å; D301-L316 HydrophobicContact CB-CB 4.23Å; D301-L316 PolarHBondContact O-N 3.26Å |
| 302 | D | 93.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 135.6 | 168.5 | -68.8 | -5.7 | 0 | 0 | 0 | 110.6 | A209 R210 L298 E299 D300 I313 H314 R315 R324 | A209-D302 WeakPolarHBondContact CA-O 3.29Å; R210-D302 PolarHBondContact N-O 3.09Å; L298-D302 HydrophobicContact CB-CB 4.24Å; E299-D302 PolarHBondContact N-OD2 2.83Å; E299-D302 VanDerWaalsContact O-CB 3.3Å; E299-D302 WeakPolarHBondContact O-CB 3.3Å; E299-D302 PolarHBondContact O-N 2.94Å; D300-D302 PolarHBondContact O-N 2.84Å; D302-I313 HydrophobicContact CB-CG2 4.17Å; D302-H314 CarbonylContact C-O 3.43Å; D302-H314 WeakPolarHBondContact CA-O 3.46Å; D302-R315 IonicContact OD1-CZ 3.21Å; D302-R315 IonicContact OD1-NE 3.88Å; D302-R315 PolarHBondContact OD1-NE 3.38Å; D302-R315 IonicContact OD1-NH2 2.83Å; D302-R324 VanDerWaalsContact CG-NH2 3.26Å; D302-R324 IonicContact OD1-CZ 3.39Å; D302-R324 IonicContact OD1-NE 2.72Å; D302-R324 IonicContact OD1-NH2 3.39Å; D302-R324 PolarHBondContact OD1-NH2 2.69Å; D302-R324 IonicContact OD2-CZ 3.66Å; D302-R324 VanDerWaalsContact OD2-CZ 3.27Å; D302-R324 IonicContact OD2-NE 2.73Å; D302-R324 PolarHBondContact OD2-NE 2.82Å; D302-R324 IonicContact OD2-NH2 3.68Å; D302-R324 PolarHBondContact OD2-NH2 2.96Å |
| 303 | V | 95.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 107 | 169 | -172 | 0 | 0 | 0 | 0 | 107.5 | L179 V182 E183 V207 V208 A209 H314 L316 | L179-V303 HydrophobicContact CD1-CB 4.17Å; L179-V303 HydrophobicContact CD1-CG1 3.55Å; V182-V303 HydrophobicContact CG1-CG1 4.31Å; E183-V303 HydrophobicContact CG-CB 4.37Å; E183-V303 HydrophobicContact CG-CG1 4.27Å; E183-V303 HydrophobicContact CG-CG2 4.17Å; V207-V303 HydrophobicContact CG1-CG1 3.57Å; V208-V303 CarbonylContact O-C 3.41Å; V208-V303 WeakPolarHBondContact O-CA 3.22Å; A209-V303 HydrophobicContact CB-CG1 4.41Å; A209-V303 HydrophobicContact CB-CG2 4.11Å; V303-H314 PolarHBondContact N-O 2.85Å; V303-H314 PolarHBondContact O-N 3.39Å; V303-L316 HydrophobicContact CG2-CD1 4.46Å; V303-L316 HydrophobicContact CG2-CD2 4.33Å; V303-L316 HydrophobicContact CG2-CG 4.22Å |
| 304 | A | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 127.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | V207 V208 L298 L311 T312 I313 | V207-A304 WeakPolarHBondContact CA-O 3.48Å; V208-A304 HydrophobicContact CG2-CB 3.74Å; V208-A304 PolarHBondContact N-O 2.83Å; V208-A304 PolarHBondContact O-N 2.94Å; L298-A304 HydrophobicContact CD1-CB 3.97Å; L298-A304 HydrophobicContact CD2-CB 4.06Å; A304-L311 HydrophobicContact CB-CD1 4.15Å; A304-T312 WeakPolarHBondContact CA-O 3.27Å; A304-I313 HydrophobicContact CB-CG1 4.12Å |
| 305 | A | 97.2 | Very high | 92.9 | Very high | 7 Ų | 7 | 22.3 Ų | 22.3 | 6% | 0.058 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 131.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | L179 V207 L311 T312 | L179-A305 HydrophobicContact CB-CB 4.15Å; L179-A305 HydrophobicContact CD1-CB 4.06Å; V207-A305 HydrophobicContact CG1-CB 4.39Å; V207-A305 HydrophobicContact CG2-CB 3.92Å; A305-L311 WeakPolarHBondContact O-CA 3.19Å; A305-T312 PolarHBondContact N-O 2.83Å; A305-T312 PolarHBondContact O-N 3.19Å |
| 306 | V | 96.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 120.7 | 168.9 | 178.8 | 0 | 0 | 0 | 0 | 109.2 | L8 E205 C206 F279 F281 Q310 L311 | L8-V306 HydrophobicContact CD1-CB 3.75Å; L8-V306 HydrophobicContact CD1-CG1 3.5Å; L8-V306 VanDerWaalsContact CD1-CG1 3.5Å; L8-V306 HydrophobicContact CD1-CG2 4.5Å; L8-V306 HydrophobicContact CD2-CG1 4.29Å; E205-V306 WeakPolarHBondContact CA-O 3.48Å; C206-V306 PolarHBondContact N-O 3.3Å; C206-V306 PolarHBondContact O-N 2.84Å; F279-V306 HydrophobicContact CD1-CG2 4.35Å; F279-V306 HydrophobicContact CD2-CG1 3.83Å; F279-V306 HydrophobicContact CD2-CG2 4.01Å; F279-V306 HydrophobicContact CE2-CG1 3.78Å; F279-V306 HydrophobicContact CE2-CG2 4.2Å; F279-V306 HydrophobicContact CG-CG2 4.07Å; F279-V306 HydrophobicContact CZ-CG2 4.45Å; F281-V306 HydrophobicContact CE2-CG2 4.46Å; F281-V306 HydrophobicContact CZ-CG2 3.7Å; V306-Q310 WeakPolarHBondContact CA-O 3.17Å; V306-L311 HydrophobicContact CG2-CB 4.1Å; V306-L311 HydrophobicContact CG2-CD1 3.67Å; V306-L311 HydrophobicContact CG2-CG 4.49Å |
| 307 | R | 93.4 | Very high | 91.1 | Very high | 117 Ų | 117 | 27 Ų | 27 | 44% | 0.442 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 132.1 | 176.8 | 177 | 171.9 | -170.4 | -149.6 | -2.6 | 109 | E205 G309 Q310 | E205-R307 HydrophobicContact CG-CB 4.29Å; E205-R307 HydrophobicContact CG-CG 4.2Å; E205-R307 VanDerWaalsContact OE1-CD 3.3Å; E205-R307 WeakPolarHBondContact OE1-CD 3.46Å; E205-R307 VanDerWaalsContact OE1-CG 3.31Å; E205-R307 WeakPolarHBondContact OE1-CG 3.33Å; E205-R307 IonicContact OE1-NE 3.86Å; E205-R307 PolarHBondContact OE1-NE 3.34Å; E205-R307 VanDerWaalsContact OE1-NE 3.1Å; R307-G309 PolarHBondContact O-N 2.98Å; R307-Q310 PolarHBondContact N-O 3.18Å; R307-Q310 VanDerWaalsContact O-CB 3.3Å; R307-Q310 WeakPolarHBondContact O-CB 3.48Å; R307-Q310 PolarHBondContact O-N 2.79Å |
| 308 | N | 90.2 | Very high | 89.9 | Confident | 85 Ų | 85 | 33.1 Ų | 33.1 | 46% | 0.455 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 35.8 | -178.4 | -58.9 | -32.2 | 0 | 0 | 0 | 114.1 | Y10 Q310 | Y10-N308 VanDerWaalsContact CE2-C 3.42Å; Y10-N308 PolarHBondContact OH-O 3.02Å; N308-Q310 PolarHBondContact O-N 3.46Å |
| 309 | G | 90.5 | Very high | 88.4 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 5.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115 | Y10 F279 R307 | Y10-G309 VanDerWaalsContact CD1-CA 3.46Å; Y10-G309 VanDerWaalsContact CG-CA 3.48Å; F279-G309 WeakPolarHBondContact CE2-O 3.32Å; R307-G309 PolarHBondContact O-N 2.98Å |
| 310 | Q | 93.4 | Very high | 87.2 | Confident | 48 Ų | 48 | 37.6 Ų | 37.6 | 22% | 0.224 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 121 | -177.3 | -60.6 | 179.2 | -25 | 0 | 0 | 110.3 | F267 V306 R307 N308 | F267-Q310 HydrophobicContact CB-CB 3.87Å; F267-Q310 HydrophobicContact CB-CG 4.43Å; F267-Q310 HydrophobicContact CD1-CG 4.44Å; F267-Q310 HydrophobicContact CD2-CB 3.88Å; F267-Q310 HydrophobicContact CD2-CG 3.54Å; F267-Q310 HydrophobicContact CE2-CG 3.9Å; F267-Q310 VanDerWaalsContact CE2-NE2 3.29Å; F267-Q310 HydrophobicContact CG-CB 3.87Å; F267-Q310 HydrophobicContact CG-CG 3.87Å; V306-Q310 WeakPolarHBondContact CA-O 3.17Å; R307-Q310 PolarHBondContact N-O 3.18Å; R307-Q310 VanDerWaalsContact O-CB 3.3Å; R307-Q310 WeakPolarHBondContact O-CB 3.48Å; R307-Q310 PolarHBondContact O-N 2.79Å; N308-Q310 PolarHBondContact O-N 3.46Å |
| 311 | L | 95.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 126.1 | 174.1 | 175.3 | 67 | 0 | 0 | 0 | 110.4 | V217 I219 I230 F267 L268 F279 I296 A304 A305 V306 | V217-L311 HydrophobicContact CG1-CD2 4.07Å; I219-L311 HydrophobicContact CD1-CD2 4.42Å; I230-L311 HydrophobicContact CD1-CD2 3.72Å; I230-L311 HydrophobicContact CD1-CG 4.09Å; F267-L311 WeakPolarHBondContact CA-O 3.35Å; L268-L311 HydrophobicContact CB-CB 4.28Å; L268-L311 PolarHBondContact N-O 3.07Å; L268-L311 PolarHBondContact O-N 2.84Å; F279-L311 HydrophobicContact CD1-CD2 4.37Å; F279-L311 HydrophobicContact CE1-CB 3.66Å; F279-L311 HydrophobicContact CE1-CD2 3.98Å; F279-L311 HydrophobicContact CE1-CG 4.38Å; F279-L311 HydrophobicContact CZ-CB 3.85Å; I296-L311 HydrophobicContact CD1-CD2 3.97Å; A304-L311 HydrophobicContact CB-CD1 4.15Å; A305-L311 WeakPolarHBondContact O-CA 3.19Å; V306-L311 HydrophobicContact CG2-CB 4.1Å; V306-L311 HydrophobicContact CG2-CD1 3.67Å; V306-L311 HydrophobicContact CG2-CG 4.49Å |
| 312 | T | 95 | Very high | 85.8 | Confident | 22 Ų | 22 | 40 Ų | 40 | 14% | 0.135 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 150.6 | 170.8 | 60.4 | 0 | 0 | 0 | 0 | 110.3 | F233 V264 F267 A304 A305 H314 | F233-T312 HydrophobicContact CE2-CG2 4.39Å; V264-T312 HydrophobicContact CG1-CG2 4.19Å; F267-T312 HydrophobicContact CB-CG2 3.92Å; A304-T312 WeakPolarHBondContact CA-O 3.27Å; A305-T312 PolarHBondContact N-O 2.83Å; A305-T312 PolarHBondContact O-N 3.19Å; T312-H314 PolarHBondContact OG1-NE2 3.12Å; T312-H314 VanDerWaalsContact OG1-NE2 3.08Å |
| 313 | I | 94 | Very high | 85.5 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 122.2 | 179.2 | -58.2 | 179.2 | 0 | 0 | 0 | 108.8 | I230 V232 F233 I296 L298 D302 A304 R324 | I230-I313 HydrophobicContact CB-CD1 4.35Å; I230-I313 HydrophobicContact CD1-CD1 4.15Å; I230-I313 HydrophobicContact CG2-CB 4.49Å; I230-I313 HydrophobicContact CG2-CD1 4.36Å; I230-I313 HydrophobicContact CG2-CG1 4.25Å; V232-I313 WeakPolarHBondContact CA-O 3.43Å; V232-I313 HydrophobicContact CG2-CG2 4.27Å; F233-I313 WeakPolarHBondContact CD2-O 3.07Å; F233-I313 PolarHBondContact N-O 3.45Å; I296-I313 HydrophobicContact CG2-CD1 4.09Å; L298-I313 HydrophobicContact CD2-CD1 3.99Å; D302-I313 HydrophobicContact CB-CG2 4.17Å; A304-I313 HydrophobicContact CB-CG1 4.12Å; I313-R324 HydrophobicContact CD1-CB 3.88Å; I313-R324 HydrophobicContact CD1-CG 3.75Å; I313-R324 HydrophobicContact CG2-CG 4.43Å |
| 314 | H | 92.3 | Very high | 85.3 | Confident | 14 Ų | 14 | 43.4 Ų | 43.4 | 7% | 0.065 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 160.1 | 179.3 | -59.4 | -99.4 | 0 | 0 | 0 | 109.4 | L179 E183 F233 D302 V303 T312 | L179-H314 HydrophobicContact CD1-CB 4.29Å; L179-H314 WeakPolarHBondContact CD2-CD2 3.17Å; L179-H314 VanDerWaalsContact CD2-NE2 3.26Å; L179-H314 WeakPolarHBondContact CD2-NE2 3.42Å; E183-H314 WeakPolarHBondContact OE1-CB 3.32Å; F233-H314 VanDerWaalsContact CB-ND1 3.34Å; F233-H314 WeakPolarHBondContact CB-ND1 3.49Å; F233-H314 AromaticContact CD2-CE1 3.94Å; F233-H314 AromaticContact CG-CE1 3.99Å; F233-H314 CarbonylContact O-C 3.53Å; F233-H314 WeakPolarHBondContact O-CA 3.27Å; D302-H314 CarbonylContact C-O 3.43Å; D302-H314 WeakPolarHBondContact CA-O 3.46Å; V303-H314 PolarHBondContact N-O 2.85Å; V303-H314 PolarHBondContact O-N 3.39Å; T312-H314 PolarHBondContact OG1-NE2 3.12Å; T312-H314 VanDerWaalsContact OG1-NE2 3.08Å |
| 315 | R | 87.3 | Confident | 85 | Confident | 14 Ų | 14 | 48.7 Ų | 48.7 | 5% | 0.053 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 135.7 | 179 | -161.9 | 173.5 | -143.4 | 161.4 | 5.5 | 112.8 | V232 F233 Y234 E299 D300 D301 D302 S317 A320 S321 R324 | V232-R315 HydrophobicContact CG1-CB 3.48Å; V232-R315 VanDerWaalsContact CG1-CB 3.48Å; V232-R315 HydrophobicContact CG1-CG 4.44Å; F233-R315 PolarHBondContact O-N 3.29Å; Y234-R315 HydrophobicContact CD1-CB 4.25Å; Y234-R315 HydrophobicContact CE1-CB 3.96Å; Y234-R315 HydrophobicContact CE1-CG 4.46Å; E299-R315 IonicContact OE2-CZ 3.22Å; E299-R315 IonicContact OE2-NH1 3.8Å; E299-R315 PolarHBondContact OE2-NH1 3.09Å; E299-R315 IonicContact OE2-NH2 2.74Å; E299-R315 PolarHBondContact OE2-NH2 3.04Å; D300-R315 PolarHBondContact O-NE 3.32Å; D300-R315 PolarHBondContact O-NH2 2.74Å; D301-R315 HydrophobicContact CB-CG 4.2Å; D301-R315 WeakPolarHBondContact O-CA 3.26Å; D302-R315 IonicContact OD1-CZ 3.21Å; D302-R315 IonicContact OD1-NE 3.88Å; D302-R315 PolarHBondContact OD1-NE 3.38Å; D302-R315 IonicContact OD1-NH2 2.83Å; R315-S317 VanDerWaalsContact C-N 3.32Å; R315-S317 VanDerWaalsContact CD-O 3.22Å; R315-S317 WeakPolarHBondContact CD-O 3.5Å; R315-S317 VanDerWaalsContact CG-O 3.27Å; R315-S317 WeakPolarHBondContact CG-O 3.46Å; R315-S317 PolarHBondContact O-N 3.45Å; R315-A320 VanDerWaalsContact CZ-CB 3.42Å; R315-A320 VanDerWaalsContact NH1-C 3.33Å; R315-S321 PolarHBondContact NH1-O 2.94Å; R315-R324 VanDerWaalsContact NH2-NH2 3.12Å |
| 316 | L | 78.9 | Confident | 84.8 | Confident | 46 Ų | 46 | 49 Ų | 49 | 24% | 0.241 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -74 | -21.7 | -178.5 | -56.5 | 174.1 | 0 | 0 | 0 | 113.2 | E183 A186 Q187 D301 V303 | E183-L316 HydrophobicContact CB-CD2 3.95Å; E183-L316 HydrophobicContact CG-CD2 3.94Å; A186-L316 HydrophobicContact CB-CD1 3.78Å; Q187-L316 HydrophobicContact CG-CD2 4.12Å; D301-L316 HydrophobicContact CB-CB 4.23Å; D301-L316 PolarHBondContact O-N 3.26Å; V303-L316 HydrophobicContact CG2-CD1 4.46Å; V303-L316 HydrophobicContact CG2-CD2 4.33Å; V303-L316 HydrophobicContact CG2-CG 4.22Å |
| 317 | S | 72.9 | Confident | 84.6 | Confident | 52 Ų | 52 | 51.5 Ų | 51.5 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -135.4 | 147.6 | -177 | 176.1 | 0 | 0 | 0 | 0 | 112 | Y234 R315 S319 | Y234-S317 WeakPolarHBondContact CE1-O 3.4Å; R315-S317 VanDerWaalsContact C-N 3.32Å; R315-S317 VanDerWaalsContact CD-O 3.22Å; R315-S317 WeakPolarHBondContact CD-O 3.5Å; R315-S317 VanDerWaalsContact CG-O 3.27Å; R315-S317 WeakPolarHBondContact CG-O 3.46Å; R315-S317 PolarHBondContact O-N 3.45Å; S317-S319 VanDerWaalsContact C-N 3.31Å; S317-S319 PolarHBondContact O-N 3.06Å; S317-S319 PolarHBondContact OG-OG 3.05Å |
| 318 | R | 66.1 | Low | 84.5 | Confident | 175 Ų | 175 | 48.4 Ų | 48.4 | 66% | 0.66 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -84.4 | 20.9 | -176.7 | -79.9 | -173.3 | 169.3 | -175.3 | -2.6 | 115.5 | Y234 | Y234-R318 HydrophobicContact CD1-CB 4.5Å; Y234-R318 HydrophobicContact CD1-CG 3.63Å; Y234-R318 HydrophobicContact CE1-CB 4.43Å; Y234-R318 HydrophobicContact CE1-CG 4.01Å; Y234-R318 HydrophobicContact CG-CG 4.13Å |
| 319 | S | 60.6 | Low | 84.5 | Confident | 94 Ų | 94 | 45.5 Ų | 45.5 | 66% | 0.657 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -95.4 | 3.8 | -163.1 | 54.8 | 0 | 0 | 0 | 0 | 117.3 | S317 | S317-S319 VanDerWaalsContact C-N 3.31Å; S317-S319 PolarHBondContact O-N 3.06Å; S317-S319 PolarHBondContact OG-OG 3.05Å |
| 320 | A | 63.5 | Low | 84.3 | Confident | 45 Ų | 45 | 54.1 Ų | 54.1 | 37% | 0.372 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -149.5 | -174 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y234 R315 A322 | Y234-A320 PolarHBondContact OH-O 3.23Å; R315-A320 VanDerWaalsContact CZ-CB 3.42Å; R315-A320 VanDerWaalsContact NH1-C 3.33Å; A320-A322 PolarHBondContact O-N 2.79Å |
| 321 | S | 69.4 | Low | 84 | Confident | 59 Ų | 59 | 53.5 Ų | 53.5 | 41% | 0.413 | 30% | 0.298 | S | S | . | . | trans | -48.3 | 135.2 | -170.3 | 178.8 | 0 | 0 | 0 | 0 | 112.8 | R315 T323 R324 | R315-S321 PolarHBondContact NH1-O 2.94Å; S321-T323 PolarHBondContact O-N 3.15Å; S321-T323 PolarHBondContact OG-N 3.13Å; S321-T323 PolarHBondContact OG-O 2.68Å; S321-R324 PolarHBondContact O-NH1 3.29Å | ||
| 322 | A | 79.7 | Confident | 83.7 | Confident | 59 Ų | 59 | 58.6 Ų | 58.6 | 49% | 0.488 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -76 | -5.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V232 A320 | V232-A322 PolarHBondContact N-O 3.34Å; A320-A322 PolarHBondContact O-N 2.79Å |
| 323 | T | 87.5 | Confident | 83.4 | Confident | 65 Ų | 65 | 60.7 Ų | 60.7 | 40% | 0.399 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 157.8 | -178.9 | 60.7 | 0 | 0 | 0 | 0 | 112.3 | I230 S321 | I230-T323 CarbonylContact O-C 3.42Å; I230-T323 VanDerWaalsContact O-CA 3.28Å; I230-T323 WeakPolarHBondContact O-CA 3.24Å; S321-T323 PolarHBondContact O-N 3.15Å; S321-T323 PolarHBondContact OG-N 3.13Å; S321-T323 PolarHBondContact OG-O 2.68Å |
| 324 | R | 90 | Very high | 83.2 | Confident | 8 Ų | 8 | 67 Ų | 67 | 3% | 0.03 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 124.6 | 170 | -64.5 | -66.7 | 174.1 | -86.4 | -3.9 | 109.6 | H229 I230 V232 I296 E299 D302 I313 R315 S321 | H229-R324 CarbonylContact C-O 3.51Å; H229-R324 WeakPolarHBondContact CA-O 3.08Å; I230-R324 PolarHBondContact N-O 3.02Å; I230-R324 PolarHBondContact O-N 3.21Å; V232-R324 HydrophobicContact CG2-CG 4.04Å; I296-R324 HydrophobicContact CG2-CB 3.73Å; I296-R324 HydrophobicContact CG2-CG 4.36Å; E299-R324 VanDerWaalsContact CD-CZ 3.43Å; E299-R324 IonicContact OE2-CZ 2.69Å; E299-R324 IonicContact OE2-NH1 2.71Å; E299-R324 PolarHBondContact OE2-NH1 3.48Å; E299-R324 IonicContact OE2-NH2 2.82Å; E299-R324 PolarHBondContact OE2-NH2 3.49Å; D302-R324 VanDerWaalsContact CG-NH2 3.26Å; D302-R324 IonicContact OD1-CZ 3.39Å; D302-R324 IonicContact OD1-NE 2.72Å; D302-R324 IonicContact OD1-NH2 3.39Å; D302-R324 PolarHBondContact OD1-NH2 2.69Å; D302-R324 IonicContact OD2-CZ 3.66Å; D302-R324 VanDerWaalsContact OD2-CZ 3.27Å; D302-R324 IonicContact OD2-NE 2.73Å; D302-R324 PolarHBondContact OD2-NE 2.82Å; D302-R324 IonicContact OD2-NH2 3.68Å; D302-R324 PolarHBondContact OD2-NH2 2.96Å; I313-R324 HydrophobicContact CD1-CB 3.88Å; I313-R324 HydrophobicContact CD1-CG 3.75Å; I313-R324 HydrophobicContact CG2-CG 4.43Å; R315-R324 VanDerWaalsContact NH2-NH2 3.12Å; S321-R324 PolarHBondContact O-NH1 3.29Å |
| 325 | E | 91 | Very high | 83.1 | Confident | 111 Ų | 111 | 69 Ų | 69 | 52% | 0.519 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 142.7 | 179.4 | -175.4 | -179 | -178.9 | 0 | 0 | 111 | V327 | E325-V327 HydrophobicContact CB-CG2 4.42Å; E325-V327 HydrophobicContact CG-CG2 4.34Å; E325-V327 PolarHBondContact O-N 3.32Å |
| 326 | V | 92.7 | Very high | 83.2 | Confident | 14 Ų | 14 | 68.5 Ų | 68.5 | 9% | 0.085 | 37% | 0.37 | C | S | . | . | trans | -78.8 | 105 | 165.2 | -178.7 | 0 | 0 | 0 | 0 | 108.5 | I219 N228 L268 K294 I296 | I219-V326 HydrophobicContact CD1-CG2 4.25Å; N228-V326 PolarHBondContact O-N 3.32Å; L268-V326 HydrophobicContact CD1-CG2 3.77Å; K294-V326 HydrophobicContact CB-CG1 3.94Å; K294-V326 HydrophobicContact CD-CG1 4.38Å; I296-V326 HydrophobicContact CD1-CG2 3.94Å; I296-V326 HydrophobicContact CG1-CB 4.5Å; I296-V326 HydrophobicContact CG1-CG2 3.86Å | ||
| 327 | V | 91.9 | Very high | 83.9 | Confident | 52 Ų | 52 | 70 Ų | 70 | 32% | 0.315 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 143.4 | -178.3 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | V295 E325 | V295-V327 PolarHBondContact N-O 3.02Å; V295-V327 PolarHBondContact O-N 3.3Å; E325-V327 HydrophobicContact CB-CG2 4.42Å; E325-V327 HydrophobicContact CG-CG2 4.34Å; E325-V327 PolarHBondContact O-N 3.32Å |
| 328 | T | 92.8 | Very high | 84.8 | Confident | 52 Ų | 52 | 70.9 Ų | 70.9 | 32% | 0.319 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 117.4 | 171.7 | -51.3 | 0 | 0 | 0 | 0 | 109.9 | D293 K294 Q330 | D293-T328 HydrophobicContact CB-CG2 4.33Å; D293-T328 CarbonylContact O-C 3.51Å; D293-T328 WeakPolarHBondContact O-CA 3.45Å; D293-T328 WeakPolarHBondContact OD2-CG2 3.33Å; K294-T328 PolarHBondContact NZ-OG1 3.15Å; T328-Q330 PolarHBondContact O-N 2.61Å |
| 329 | L | 89.8 | Confident | 86.1 | Confident | 25 Ų | 25 | 65.7 Ų | 65.7 | 13% | 0.131 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 130.1 | 178.7 | -68 | 177.8 | 0 | 0 | 0 | 111.4 | A285 I289 D293 V295 F297 M331 | A285-L329 HydrophobicContact CB-CD1 3.72Å; I289-L329 HydrophobicContact CD1-CB 4.23Å; I289-L329 HydrophobicContact CD1-CD1 4.26Å; D293-L329 PolarHBondContact O-N 3.32Å; V295-L329 HydrophobicContact CB-CD1 4.5Å; V295-L329 HydrophobicContact CG1-CD1 3.61Å; V295-L329 HydrophobicContact CG1-CG 4.01Å; V295-L329 HydrophobicContact CG2-CD1 4.06Å; V295-L329 HydrophobicContact CG2-CD2 3.68Å; V295-L329 HydrophobicContact CG2-CG 3.65Å; F297-L329 HydrophobicContact CE2-CD2 4.2Å; F297-L329 HydrophobicContact CZ-CD2 3.87Å; L329-M331 HydrophobicContact CB-CB 4.5Å; L329-M331 HydrophobicContact CD1-CE 4.45Å; L329-M331 PolarHBondContact O-N 3.46Å |
| 330 | Q | 86.8 | Confident | 87.7 | Confident | 182 Ų | 182 | 69.4 Ų | 69.4 | 85% | 0.85 | 39% | 0.386 | S | S | * | . | trans | -88.7 | 51.9 | 170.6 | -59.1 | -62.8 | -52.5 | 0 | 0 | 110.3 | T328 | T328-Q330 PolarHBondContact O-N 2.61Š| ||
| 331 | M | 85.6 | Confident | 89.3 | Confident | 34 Ų | 34 | 71 Ų | 71 | 17% | 0.167 | 38% | 0.383 | C | S | . | . | trans | -128.8 | 140.7 | -178.9 | -177 | 169.8 | 70.1 | 0 | 0 | 108.7 | A285 I289 L329 I336 P488 | A285-M331 HydrophobicContact CB-CE 3.74Å; A285-M331 WeakPolarHBondContact O-CE 3.47Å; I289-M331 HydrophobicContact CB-CE 3.57Å; I289-M331 HydrophobicContact CD1-CB 4.37Å; I289-M331 HydrophobicContact CD1-CE 4.37Å; I289-M331 VanDerWaalsContact CD1-O 3.27Å; I289-M331 WeakPolarHBondContact CD1-O 3.44Å; I289-M331 HydrophobicContact CG1-CB 4.37Å; I289-M331 HydrophobicContact CG1-CE 3.9Å; I289-M331 HydrophobicContact CG1-CG 4.35Å; I289-M331 WeakPolarHBondContact CG1-O 3.36Å; I289-M331 HydrophobicContact CG2-CE 3.82Å; L329-M331 HydrophobicContact CB-CB 4.5Å; L329-M331 HydrophobicContact CD1-CE 4.45Å; L329-M331 PolarHBondContact O-N 3.46Å; M331-I336 HydrophobicContact SD-CG2 4.31Å; M331-P488 HydrophobicContact CG-CG 3.94Å; M331-P488 HydrophobicContact SD-CG 3.49Å; M331-P488 WeakPolarHBondContact SD-CG 3.4Å | ||
| 332 | E | 88.9 | Confident | 90.5 | Very high | 108 Ų | 108 | 74 Ų | 74 | 51% | 0.505 | 40% | 0.395 | S | S | . | . | trans | -113 | 144.9 | 178.7 | -62.7 | 175 | 174.2 | 0 | 0 | 110.2 | Q334 Q335 | E332-Q334 HydrophobicContact CB-CG 3.98Å; E332-Q334 PolarHBondContact O-N 3.35Å; E332-Q334 PolarHBondContact OE2-NE2 3.16Å; E332-Q335 HydrophobicContact CB-CG 4.23Å; E332-Q335 WeakPolarHBondContact O-CB 3.29Å; E332-Q335 PolarHBondContact O-N 3.5Å | ||
| 333 | L | 88.8 | Confident | 91.3 | Very high | 66 Ų | 66 | 74.1 Ų | 74.1 | 35% | 0.346 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -53.6 | -39.6 | 178.5 | -179.6 | 58.2 | 0 | 0 | 0 | 112.1 | I289 E290 Q335 I336 M337 | I289-L333 HydrophobicContact CG2-CD1 4.22Å; E290-L333 HydrophobicContact CB-CD1 3.83Å; E290-L333 HydrophobicContact CB-CD2 4.18Å; L333-Q335 PolarHBondContact O-N 3.47Å; L333-Q335 VanDerWaalsContact O-N 3.1Å; L333-I336 HydrophobicContact CD1-CD1 3.91Å; L333-I336 HydrophobicContact CD1-CG1 3.94Å; L333-I336 WeakPolarHBondContact O-CG1 3.34Å; L333-I336 PolarHBondContact O-N 3.01Å; L333-I336 VanDerWaalsContact O-N 3.1Å; L333-M337 HydrophobicContact CG-CG 4.33Å; L333-M337 WeakPolarHBondContact O-CG 3.32Å; L333-M337 PolarHBondContact O-N 2.83Å |
| 334 | Q | 90.8 | Very high | 91.7 | Very high | 133 Ų | 133 | 72.6 Ų | 72.6 | 62% | 0.621 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -57.4 | -28.7 | 179 | 64 | 167.2 | -0.5 | 0 | 0 | 113.7 | E332 I336 M337 | E332-Q334 HydrophobicContact CB-CG 3.98Å; E332-Q334 PolarHBondContact O-N 3.35Å; E332-Q334 PolarHBondContact OE2-NE2 3.16Å; Q334-I336 VanDerWaalsContact C-N 3.25Å; Q334-I336 PolarHBondContact O-N 3.43Å; Q334-M337 PolarHBondContact O-N 3.16Å |
| 335 | Q | 89.5 | Confident | 92.1 | Very high | 54 Ų | 54 | 72.2 Ų | 72.2 | 25% | 0.252 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -69.7 | -26.1 | -177.7 | -61.3 | 178 | -54.5 | 0 | 0 | 112.3 | E332 L333 K347 P488 | E332-Q335 HydrophobicContact CB-CG 4.23Å; E332-Q335 WeakPolarHBondContact O-CB 3.29Å; E332-Q335 PolarHBondContact O-N 3.5Å; L333-Q335 PolarHBondContact O-N 3.47Å; L333-Q335 VanDerWaalsContact O-N 3.1Å; Q335-K347 PolarHBondContact O-NZ 3.07Å; Q335-P488 HydrophobicContact CB-CG 4.23Å |
| 336 | I | 90.3 | Very high | 92.4 | Very high | 5 Ų | 5 | 68.3 Ų | 68.3 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -102.1 | 8.1 | 178.3 | 68.4 | 163.3 | 0 | 0 | 0 | 113.1 | S286 I289 M331 L333 Q334 F344 P488 I490 | S286-I336 WeakPolarHBondContact O-CD1 3.09Å; I289-I336 HydrophobicContact CG2-CD1 3.58Å; I289-I336 HydrophobicContact CG2-CG1 4.3Å; M331-I336 HydrophobicContact SD-CG2 4.31Å; L333-I336 HydrophobicContact CD1-CD1 3.91Å; L333-I336 HydrophobicContact CD1-CG1 3.94Å; L333-I336 WeakPolarHBondContact O-CG1 3.34Å; L333-I336 PolarHBondContact O-N 3.01Å; L333-I336 VanDerWaalsContact O-N 3.1Å; Q334-I336 VanDerWaalsContact C-N 3.25Å; Q334-I336 PolarHBondContact O-N 3.43Å; I336-F344 WeakPolarHBondContact O-CE1 3.49Å; I336-F344 VanDerWaalsContact O-CZ 3.24Å; I336-F344 WeakPolarHBondContact O-CZ 3.39Å; I336-P488 HydrophobicContact CG2-CB 3.85Å; I336-P488 HydrophobicContact CG2-CG 3.96Å; I336-I490 HydrophobicContact CB-CD1 4.25Å; I336-I490 HydrophobicContact CB-CG1 4.5Å; I336-I490 HydrophobicContact CG2-CD1 4.1Å |
| 337 | M | 92.8 | Very high | 92.7 | Very high | 78 Ų | 78 | 68 Ų | 68 | 38% | 0.384 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -99.6 | 154 | 174.5 | -66.4 | -64.2 | -72.8 | 0 | 0 | 110.5 | R29 L333 Q334 G339 K347 | R29-M337 PolarHBondContact NH1-SD 3.39Å; L333-M337 HydrophobicContact CG-CG 4.33Å; L333-M337 WeakPolarHBondContact O-CG 3.32Å; L333-M337 PolarHBondContact O-N 2.83Å; Q334-M337 PolarHBondContact O-N 3.16Å; M337-G339 VanDerWaalsContact C-N 3.33Å; M337-K347 WeakPolarHBondContact O-CD 3.46Å; M337-K347 WeakPolarHBondContact O-CE 3.28Å |
| 338 | K | 92.6 | Very high | 93 | Very high | 70 Ų | 70 | 65.5 Ų | 65.5 | 30% | 0.304 | 33% | 0.334 | S | S | . | . | trans | -72.4 | -25.5 | 174.9 | -64.9 | -173.7 | 170.4 | -165.1 | 0 | 113.3 | N340 Y341 D342 F344 D689 | K338-N340 PolarHBondContact O-N 2.9Å; K338-Y341 WeakPolarHBondContact CB-O 3.47Å; K338-Y341 WeakPolarHBondContact O-CD2 3.42Å; K338-Y341 PolarHBondContact O-N 2.87Å; K338-D342 WeakPolarHBondContact CD-O 3.16Å; K338-D342 PolarHBondContact NZ-O 2.92Å; K338-F344 HydrophobicContact CD-CD2 4.28Å; K338-F344 HydrophobicContact CD-CE2 4.2Å; K338-F344 VanDerWaalsContact CE-CD2 3.4Å; K338-F344 VanDerWaalsContact CE-CE2 3.49Å; K338-F344 HydrophobicContact CG-CD1 4.02Å; K338-F344 HydrophobicContact CG-CD2 3.85Å; K338-F344 HydrophobicContact CG-CE1 3.81Å; K338-F344 HydrophobicContact CG-CE2 3.64Å; K338-F344 HydrophobicContact CG-CG 4.04Å; K338-F344 HydrophobicContact CG-CZ 3.62Å; K338-D689 VanDerWaalsContact CE-OD2 3.27Å; K338-D689 WeakPolarHBondContact CE-OD2 3.21Å; K338-D689 IonicContact NZ-OD2 2.67Å; K338-D689 PolarHBondContact NZ-OD2 2.71Å | ||
| 339 | G | 93.1 | Very high | 93.3 | Very high | 65 Ų | 65 | 63 Ų | 63 | 67% | 0.67 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | -127.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | M337 Y341 | M337-G339 VanDerWaalsContact C-N 3.33Å; G339-Y341 VanDerWaalsContact C-N 3.3Å |
| 340 | N | 94.9 | Very high | 93.7 | Very high | 172 Ų | 172 | 63.8 Ų | 63.8 | 92% | 0.92 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 9.7 | 180 | -63.1 | -26.6 | 0 | 0 | 0 | 113.8 | K338 | K338-N340 PolarHBondContact O-N 2.9Š|
| 341 | Y | 96.1 | Very high | 94.2 | Very high | 78 Ų | 78 | 57.5 Ų | 57.5 | 31% | 0.306 | 29% | 0.292 | S | S | . | . | trans | -101.5 | 149.2 | 179 | -60.2 | -81.8 | 0 | 0 | 0 | 110.8 | K338 G339 Y343 Q346 K347 F350 | K338-Y341 WeakPolarHBondContact CB-O 3.47Å; K338-Y341 WeakPolarHBondContact O-CD2 3.42Å; K338-Y341 PolarHBondContact O-N 2.87Å; G339-Y341 VanDerWaalsContact C-N 3.3Å; Y341-Y343 VanDerWaalsContact C-N 3.33Å; Y341-Q346 HydrophobicContact CD1-CB 4.46Å; Y341-Q346 HydrophobicContact CD1-CG 3.89Å; Y341-K347 HydrophobicContact CD2-CB 3.45Å; Y341-K347 VanDerWaalsContact CD2-CB 3.45Å; Y341-K347 HydrophobicContact CD2-CD 4.38Å; Y341-K347 HydrophobicContact CD2-CG 3.77Å; Y341-K347 HydrophobicContact CE2-CB 4.03Å; Y341-K347 HydrophobicContact CE2-CG 4.04Å; Y341-K347 HydrophobicContact CG-CB 3.79Å; Y341-F350 HydrophobicContact CE1-CB 3.86Å; Y341-F350 HydrophobicContact CE1-CD1 4.4Å; Y341-F350 HydrophobicContact CE1-CD2 4.36Å; Y341-F350 AromaticContact CE1-CG 3.97Å; Y341-F350 HydrophobicContact CE1-CG 3.97Å; Y341-F350 WeakPolarHBondContact OH-CB 3.25Å | ||
| 342 | D | 94.9 | Very high | 94.8 | Very high | 122 Ų | 122 | 55.9 Ų | 55.9 | 65% | 0.652 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -75.9 | -26.5 | 176.9 | -64.7 | -41.9 | 0 | 0 | 0 | 111.9 | K338 | K338-D342 WeakPolarHBondContact CD-O 3.16Å; K338-D342 PolarHBondContact NZ-O 2.92Å |
| 343 | Y | 96.6 | Very high | 95.3 | Very high | 62 Ų | 62 | 50.8 Ų | 50.8 | 24% | 0.243 | 26% | 0.26 | C | S | . | . | trans | -133.4 | 146 | -174.2 | -55.7 | -79.9 | 0 | 0 | 0 | 112.2 | Y341 Q346 K347 F678 V682 V688 D689 | Y341-Y343 VanDerWaalsContact C-N 3.33Å; Y343-Q346 PolarHBondContact O-N 3.21Å; Y343-K347 PolarHBondContact O-N 2.93Å; Y343-K347 VanDerWaalsContact O-N 3.09Å; Y343-F678 AromaticContact CD2-CE2 3.55Å; Y343-F678 HydrophobicContact CD2-CE2 3.55Å; Y343-F678 AromaticContact CD2-CZ 3.79Å; Y343-F678 HydrophobicContact CD2-CZ 3.79Å; Y343-F678 HydrophobicContact CE2-CE2 4.22Å; Y343-F678 HydrophobicContact CE2-CZ 4.29Å; Y343-F678 HydrophobicContact CG-CE2 4.05Å; Y343-V682 HydrophobicContact CD2-CG2 4.5Å; Y343-V682 HydrophobicContact CE2-CG2 3.88Å; Y343-V688 HydrophobicContact CD1-CG2 3.15Å; Y343-V688 HydrophobicContact CD2-CG2 4.03Å; Y343-V688 HydrophobicContact CE1-CG2 3.74Å; Y343-V688 HydrophobicContact CG-CG2 3.3Å; Y343-D689 WeakPolarHBondContact CA-OD2 3.43Å | ||
| 344 | F | 96.8 | Very high | 95.7 | Very high | 33 Ų | 33 | 51 Ų | 51 | 15% | 0.145 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -43 | 172.2 | -77 | -73 | 0 | 0 | 0 | 111.4 | I336 K338 Q346 K347 E348 I490 D689 | I336-F344 WeakPolarHBondContact O-CE1 3.49Å; I336-F344 VanDerWaalsContact O-CZ 3.24Å; I336-F344 WeakPolarHBondContact O-CZ 3.39Å; K338-F344 HydrophobicContact CD-CD2 4.28Å; K338-F344 HydrophobicContact CD-CE2 4.2Å; K338-F344 VanDerWaalsContact CE-CD2 3.4Å; K338-F344 VanDerWaalsContact CE-CE2 3.49Å; K338-F344 HydrophobicContact CG-CD1 4.02Å; K338-F344 HydrophobicContact CG-CD2 3.85Å; K338-F344 HydrophobicContact CG-CE1 3.81Å; K338-F344 HydrophobicContact CG-CE2 3.64Å; K338-F344 HydrophobicContact CG-CG 4.04Å; K338-F344 HydrophobicContact CG-CZ 3.62Å; F344-Q346 PolarHBondContact O-N 2.95Å; F344-K347 WeakPolarHBondContact O-CB 3.26Å; F344-K347 PolarHBondContact O-N 3.23Å; F344-E348 WeakPolarHBondContact O-CB 3.33Å; F344-E348 WeakPolarHBondContact O-CG 3.33Å; F344-E348 PolarHBondContact O-N 2.87Å; F344-I490 HydrophobicContact CB-CB 4.16Å; F344-I490 HydrophobicContact CB-CG2 4.38Å; F344-I490 HydrophobicContact CD1-CB 3.72Å; F344-I490 HydrophobicContact CD1-CG1 3.98Å; F344-I490 HydrophobicContact CD1-CG2 3.99Å; F344-I490 HydrophobicContact CD2-CB 4.19Å; F344-I490 HydrophobicContact CD2-CG2 3.6Å; F344-I490 HydrophobicContact CE1-CB 4.09Å; F344-I490 HydrophobicContact CE1-CG1 3.97Å; F344-I490 HydrophobicContact CE1-CG2 4.12Å; F344-I490 HydrophobicContact CE2-CG2 3.74Å; F344-I490 HydrophobicContact CG-CB 3.77Å; F344-I490 HydrophobicContact CG-CG2 3.73Å; F344-I490 HydrophobicContact CZ-CB 4.48Å; F344-I490 HydrophobicContact CZ-CG1 4.5Å; F344-I490 HydrophobicContact CZ-CG2 3.99Å; F344-D689 WeakPolarHBondContact CA-OD1 3.41Å; F344-D689 WeakPolarHBondContact CB-OD1 3.42Å; F344-D689 VanDerWaalsContact N-CG 3.31Å; F344-D689 PolarHBondContact N-OD1 2.85Å; F344-D689 PolarHBondContact N-OD2 2.96Å |
| 345 | M | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.7 | -41.3 | 178.1 | -169.7 | -170.5 | 179.5 | 0 | 0 | 111.7 | E348 I349 A493 T495 L582 V688 D689 | M345-E348 PolarHBondContact O-N 3.42Å; M345-I349 HydrophobicContact CE-CD1 4.01Å; M345-I349 HydrophobicContact CG-CD1 4.23Å; M345-I349 VanDerWaalsContact O-CG1 3.27Å; M345-I349 WeakPolarHBondContact O-CG1 3.4Å; M345-I349 PolarHBondContact O-N 2.8Å; M345-A493 HydrophobicContact CE-CB 4.35Å; M345-T495 HydrophobicContact CE-CG2 3.68Å; M345-T495 HydrophobicContact CG-CG2 4.12Å; M345-L582 HydrophobicContact CE-CD1 3.16Å; M345-L582 HydrophobicContact CE-CD2 4.37Å; M345-L582 HydrophobicContact CE-CG 4.35Å; M345-L582 HydrophobicContact SD-CD1 3.39Å; M345-L582 WeakPolarHBondContact SD-CD1 3.36Å; M345-L582 HydrophobicContact SD-CD2 3.58Å; M345-L582 VanDerWaalsContact SD-CD2 3.58Å; M345-L582 HydrophobicContact SD-CG 4.11Å; M345-V688 HydrophobicContact SD-CB 4.43Å; M345-D689 PolarHBondContact N-OD1 3.4Å |
| 346 | Q | 97.9 | Very high | 96.5 | Very high | 30 Ų | 30 | 42.1 Ų | 42.1 | 14% | 0.14 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.9 | -52.3 | 176.1 | -169.7 | -174.4 | 23.5 | 0 | 0 | 110.9 | Y341 Y343 F344 E348 I349 F350 F678 | Y341-Q346 HydrophobicContact CD1-CB 4.46Å; Y341-Q346 HydrophobicContact CD1-CG 3.89Å; Y343-Q346 PolarHBondContact O-N 3.21Å; F344-Q346 PolarHBondContact O-N 2.95Å; Q346-E348 PolarHBondContact O-N 3.44Å; Q346-I349 PolarHBondContact O-N 2.87Å; Q346-F350 HydrophobicContact CG-CD2 4.08Å; Q346-F350 HydrophobicContact CG-CE2 4.07Å; Q346-F350 VanDerWaalsContact O-CD2 3.25Å; Q346-F350 WeakPolarHBondContact O-CD2 3.47Å; Q346-F350 PolarHBondContact O-N 2.98Å; Q346-F678 HydrophobicContact CB-CD2 4.42Å; Q346-F678 HydrophobicContact CB-CE1 4.45Å; Q346-F678 HydrophobicContact CB-CE2 3.75Å; Q346-F678 HydrophobicContact CB-CZ 3.77Å; Q346-F678 HydrophobicContact CG-CE1 4.12Å; Q346-F678 HydrophobicContact CG-CE2 4.3Å; Q346-F678 HydrophobicContact CG-CZ 3.81Å |
| 347 | K | 98 | Very high | 96.8 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 3% | 0.03 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -49.4 | -49.1 | 174.4 | 171.7 | 177.9 | 172.6 | -71.8 | 0 | 111.1 | Q335 M337 Y341 Y343 F344 I349 F350 E351 | Q335-K347 PolarHBondContact O-NZ 3.07Å; M337-K347 WeakPolarHBondContact O-CD 3.46Å; M337-K347 WeakPolarHBondContact O-CE 3.28Å; Y341-K347 HydrophobicContact CD2-CB 3.45Å; Y341-K347 VanDerWaalsContact CD2-CB 3.45Å; Y341-K347 HydrophobicContact CD2-CD 4.38Å; Y341-K347 HydrophobicContact CD2-CG 3.77Å; Y341-K347 HydrophobicContact CE2-CB 4.03Å; Y341-K347 HydrophobicContact CE2-CG 4.04Å; Y341-K347 HydrophobicContact CG-CB 3.79Å; Y343-K347 PolarHBondContact O-N 2.93Å; Y343-K347 VanDerWaalsContact O-N 3.09Å; F344-K347 WeakPolarHBondContact O-CB 3.26Å; F344-K347 PolarHBondContact O-N 3.23Å; K347-I349 PolarHBondContact O-N 2.95Å; K347-F350 CarbonylContact O-C 3.49Å; K347-F350 PolarHBondContact O-N 3.29Å; K347-E351 WeakPolarHBondContact CE-OE1 3.43Å; K347-E351 HydrophobicContact CG-CG 4.12Å; K347-E351 IonicContact NZ-OE1 2.62Å; K347-E351 PolarHBondContact NZ-OE1 3.36Å; K347-E351 IonicContact NZ-OE2 3.86Å; K347-E351 PolarHBondContact NZ-OE2 3.31Å; K347-E351 WeakPolarHBondContact O-CB 3.42Å; K347-E351 VanDerWaalsContact O-CG 3.27Å; K347-E351 WeakPolarHBondContact O-CG 3.38Å; K347-E351 PolarHBondContact O-N 2.68Å |
| 348 | E | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.7 | -32 | -173.8 | -67.3 | 165.9 | 174.5 | 0 | 0 | 113.2 | F344 M345 Q346 E489 I490 G491 T495 K496 | F344-E348 WeakPolarHBondContact O-CB 3.33Å; F344-E348 WeakPolarHBondContact O-CG 3.33Å; F344-E348 PolarHBondContact O-N 2.87Å; M345-E348 PolarHBondContact O-N 3.42Å; Q346-E348 PolarHBondContact O-N 3.44Å; E348-E489 WeakPolarHBondContact OE1-CA 3.4Å; E348-E489 WeakPolarHBondContact OE2-CG 3.19Å; E348-I490 PolarHBondContact OE1-N 2.88Å; E348-G491 PolarHBondContact OE1-N 2.99Å; E348-G491 VanDerWaalsContact OE1-N 3.13Å; E348-G491 WeakPolarHBondContact OE2-CA 3.48Å; E348-G491 PolarHBondContact OE2-N 3.46Å; E348-G491 VanDerWaalsContact OE2-N 3.15Å; E348-T495 WeakPolarHBondContact CB-OG1 3.35Å; E348-K496 HydrophobicContact CB-CD 4.1Å; E348-K496 HydrophobicContact CB-CG 4.28Å; E348-K496 HydrophobicContact CG-CD 4.2Å |
| 349 | I | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.5 | -45.4 | 169.2 | -68.4 | 165.2 | 0 | 0 | 0 | 110.2 | M345 Q346 K347 Q352 T495 L541 Q674 L675 F678 | M345-I349 HydrophobicContact CE-CD1 4.01Å; M345-I349 HydrophobicContact CG-CD1 4.23Å; M345-I349 VanDerWaalsContact O-CG1 3.27Å; M345-I349 WeakPolarHBondContact O-CG1 3.4Å; M345-I349 PolarHBondContact O-N 2.8Å; Q346-I349 PolarHBondContact O-N 2.87Å; K347-I349 PolarHBondContact O-N 2.95Å; I349-Q352 WeakPolarHBondContact O-CB 3.29Å; I349-Q352 VanDerWaalsContact O-CG 3.32Å; I349-Q352 WeakPolarHBondContact O-CG 3.2Å; I349-Q352 PolarHBondContact O-N 3.14Å; I349-Q352 PolarHBondContact O-NE2 3.05Å; I349-T495 HydrophobicContact CD1-CG2 4.43Å; I349-T495 HydrophobicContact CG1-CG2 3.75Å; I349-L541 HydrophobicContact CG2-CD2 3.87Å; I349-Q674 HydrophobicContact CD1-CB 3.93Å; I349-Q674 HydrophobicContact CG1-CB 4.1Å; I349-L675 HydrophobicContact CD1-CD2 4.34Å; I349-L675 HydrophobicContact CG2-CD2 3.64Å; I349-L675 HydrophobicContact CG2-CG 4.01Å; I349-F678 HydrophobicContact CD1-CB 4.27Å |
| 350 | F | 98.4 | Very high | 97.5 | Very high | 41 Ų | 41 | 37 Ų | 37 | 18% | 0.18 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -76.8 | -20.2 | -175.6 | -82.5 | -103.9 | 0 | 0 | 0 | 113.7 | Y341 Q346 K347 Q352 P353 L541 D544 L675 | Y341-F350 HydrophobicContact CE1-CB 3.86Å; Y341-F350 HydrophobicContact CE1-CD1 4.4Å; Y341-F350 HydrophobicContact CE1-CD2 4.36Å; Y341-F350 AromaticContact CE1-CG 3.97Å; Y341-F350 HydrophobicContact CE1-CG 3.97Å; Y341-F350 WeakPolarHBondContact OH-CB 3.25Å; Q346-F350 HydrophobicContact CG-CD2 4.08Å; Q346-F350 HydrophobicContact CG-CE2 4.07Å; Q346-F350 VanDerWaalsContact O-CD2 3.25Å; Q346-F350 WeakPolarHBondContact O-CD2 3.47Å; Q346-F350 PolarHBondContact O-N 2.98Å; K347-F350 CarbonylContact O-C 3.49Å; K347-F350 PolarHBondContact O-N 3.29Å; F350-Q352 VanDerWaalsContact C-N 3.3Å; F350-P353 VanDerWaalsContact O-CD 3.26Å; F350-P353 WeakPolarHBondContact O-CD 3.31Å; F350-L541 HydrophobicContact CD1-CB 4.44Å; F350-L541 HydrophobicContact CD1-CD1 4.33Å; F350-L541 HydrophobicContact CD1-CD2 4.42Å; F350-L541 HydrophobicContact CD2-CD2 4.47Å; F350-L541 HydrophobicContact CE1-CB 4.34Å; F350-L541 HydrophobicContact CG-CD2 4.38Å; F350-D544 HydrophobicContact CZ-CB 3.91Å; F350-L675 HydrophobicContact CE2-CD2 3.76Å; F350-L675 HydrophobicContact CZ-CD2 4.39Å |
| 351 | E | 98 | Very high | 97.6 | Very high | 50 Ų | 50 | 36.8 Ų | 36.8 | 23% | 0.234 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -2.1 | 172.6 | -78.2 | -178.1 | 163.4 | 0 | 0 | 113.8 | K347 E354 S355 K496 | K347-E351 WeakPolarHBondContact CE-OE1 3.43Å; K347-E351 HydrophobicContact CG-CG 4.12Å; K347-E351 IonicContact NZ-OE1 2.62Å; K347-E351 PolarHBondContact NZ-OE1 3.36Å; K347-E351 IonicContact NZ-OE2 3.86Å; K347-E351 PolarHBondContact NZ-OE2 3.31Å; K347-E351 WeakPolarHBondContact O-CB 3.42Å; K347-E351 VanDerWaalsContact O-CG 3.27Å; K347-E351 WeakPolarHBondContact O-CG 3.38Å; K347-E351 PolarHBondContact O-N 2.68Å; E351-E354 WeakPolarHBondContact CA-OE2 3.49Å; E351-E354 PolarHBondContact O-N 3.21Å; E351-E354 VanDerWaalsContact O-N 3.12Å; E351-S355 PolarHBondContact O-N 3.4Å; E351-K496 IonicContact OE2-NZ 2.83Å; E351-K496 PolarHBondContact OE2-NZ 2.69Å |
| 352 | Q | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.9 | -34.8 | -179.1 | -74.5 | -179 | 104.7 | 0 | 0 | 115.4 | I349 F350 E354 S355 V356 K496 T499 I537 | I349-Q352 WeakPolarHBondContact O-CB 3.29Å; I349-Q352 VanDerWaalsContact O-CG 3.32Å; I349-Q352 WeakPolarHBondContact O-CG 3.2Å; I349-Q352 PolarHBondContact O-N 3.14Å; I349-Q352 PolarHBondContact O-NE2 3.05Å; F350-Q352 VanDerWaalsContact C-N 3.3Å; Q352-E354 VanDerWaalsContact C-N 3.32Å; Q352-E354 PolarHBondContact O-N 3.47Å; Q352-S355 WeakPolarHBondContact CA-OG 3.45Å; Q352-S355 PolarHBondContact O-N 3.47Å; Q352-S355 PolarHBondContact O-OG 3.43Å; Q352-V356 WeakPolarHBondContact O-CB 3.23Å; Q352-V356 VanDerWaalsContact O-CG2 3.27Å; Q352-V356 WeakPolarHBondContact O-CG2 3.29Å; Q352-V356 PolarHBondContact O-N 2.94Å; Q352-K496 HydrophobicContact CG-CB 3.92Å; Q352-T499 PolarHBondContact OE1-OG1 3.48Å; Q352-I537 HydrophobicContact CB-CG2 4Å |
| 353 | P | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.9 | -47.1 | 171.2 | -22.8 | 32.6 | 0 | 0 | 0 | 112 | F350 L357 I537 R538 L541 | F350-P353 VanDerWaalsContact O-CD 3.26Å; F350-P353 WeakPolarHBondContact O-CD 3.31Å; P353-L357 WeakPolarHBondContact O-CG 3.31Å; P353-L357 PolarHBondContact O-N 2.86Å; P353-I537 HydrophobicContact CG-CB 4.23Å; P353-I537 HydrophobicContact CG-CG2 3.63Å; P353-R538 HydrophobicContact CB-CG 3.82Å; P353-R538 HydrophobicContact CG-CG 3.6Å; P353-L541 HydrophobicContact CG-CD1 3.85Å |
| 354 | E | 97.7 | Very high | 97.8 | Very high | 70 Ų | 70 | 31 Ų | 31 | 33% | 0.327 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -71.5 | -42.4 | -179.6 | -65.6 | 72.8 | -159.2 | 0 | 0 | 111.8 | E351 Q352 V356 L357 N358 R538 | E351-E354 WeakPolarHBondContact CA-OE2 3.49Å; E351-E354 PolarHBondContact O-N 3.21Å; E351-E354 VanDerWaalsContact O-N 3.12Å; Q352-E354 VanDerWaalsContact C-N 3.32Å; Q352-E354 PolarHBondContact O-N 3.47Å; E354-V356 PolarHBondContact O-N 2.97Å; E354-L357 PolarHBondContact O-N 2.95Å; E354-N358 WeakPolarHBondContact O-CB 3.47Å; E354-N358 PolarHBondContact O-N 3.23Å; E354-N358 PolarHBondContact O-ND2 2.64Å; E354-R538 IonicContact OE1-CZ 3.89Å; E354-R538 IonicContact OE1-NH1 2.85Å; E354-R538 PolarHBondContact OE1-NH1 3.23Å; E354-R538 IonicContact OE1-NH2 3.63Å; E354-R538 PolarHBondContact OE1-NH2 2.77Å |
| 355 | S | 97.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.4 | -39.3 | -178.8 | 77.7 | 0 | 0 | 0 | 0 | 111.8 | E351 Q352 N358 T359 | E351-S355 PolarHBondContact O-N 3.4Å; Q352-S355 WeakPolarHBondContact CA-OG 3.45Å; Q352-S355 PolarHBondContact O-N 3.47Å; Q352-S355 PolarHBondContact O-OG 3.43Å; S355-N358 PolarHBondContact O-N 3.37Å; S355-T359 PolarHBondContact O-N 3.46Å; S355-T359 PolarHBondContact O-OG1 2.93Å |
| 356 | V | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.5 | -42.5 | 175.3 | 165.4 | 0 | 0 | 0 | 0 | 111.1 | Q352 E354 T359 M360 I503 L533 I537 | Q352-V356 WeakPolarHBondContact O-CB 3.23Å; Q352-V356 VanDerWaalsContact O-CG2 3.27Å; Q352-V356 WeakPolarHBondContact O-CG2 3.29Å; Q352-V356 PolarHBondContact O-N 2.94Å; E354-V356 PolarHBondContact O-N 2.97Å; V356-T359 WeakPolarHBondContact O-CB 3.3Å; V356-T359 PolarHBondContact O-N 3.16Å; V356-M360 HydrophobicContact CG1-CE 3.78Å; V356-M360 WeakPolarHBondContact O-CG 3.14Å; V356-M360 PolarHBondContact O-N 3.37Å; V356-I503 HydrophobicContact CG1-CD1 4.43Å; V356-I503 HydrophobicContact CG1-CG1 4.11Å; V356-I503 HydrophobicContact CG2-CG1 4.29Å; V356-L533 HydrophobicContact CG1-CD2 3.91Å; V356-L533 HydrophobicContact CG1-CG 4.38Å; V356-I537 HydrophobicContact CB-CD1 4.38Å; V356-I537 HydrophobicContact CG2-CD1 3.87Å |
| 357 | L | 97.6 | Very high | 97.6 | Very high | 68 Ų | 68 | 43.4 Ų | 43.4 | 36% | 0.356 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.1 | -43.6 | 173.3 | -71 | 173.5 | 0 | 0 | 0 | 111.9 | P353 E354 T359 M360 R361 | P353-L357 WeakPolarHBondContact O-CG 3.31Å; P353-L357 PolarHBondContact O-N 2.86Å; E354-L357 PolarHBondContact O-N 2.95Å; L357-T359 VanDerWaalsContact C-N 3.28Å; L357-T359 PolarHBondContact O-N 2.94Å; L357-M360 HydrophobicContact CD2-CE 4.03Å; L357-M360 PolarHBondContact O-N 2.78Å; L357-M360 VanDerWaalsContact O-N 3.11Å; L357-R361 PolarHBondContact O-N 3.33Å |
| 358 | N | 97.1 | Very high | 97.5 | Very high | 36 Ų | 36 | 48.5 Ų | 48.5 | 19% | 0.193 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.8 | -35.7 | 177.3 | -70.2 | -23.2 | 0 | 0 | 0 | 112.1 | E354 S355 M360 R361 N485 | E354-N358 WeakPolarHBondContact O-CB 3.47Å; E354-N358 PolarHBondContact O-N 3.23Å; E354-N358 PolarHBondContact O-ND2 2.64Å; S355-N358 PolarHBondContact O-N 3.37Å; N358-M360 VanDerWaalsContact C-N 3.31Å; N358-M360 PolarHBondContact O-N 3.22Å; N358-R361 PolarHBondContact O-N 2.86Å; N358-R361 PolarHBondContact OD1-NH1 2.76Å; N358-R361 PolarHBondContact OD1-NH2 3.3Å; N358-N485 VanDerWaalsContact CB-O 3.23Å; N358-N485 WeakPolarHBondContact CB-O 3.27Å; N358-N485 PolarHBondContact O-ND2 2.87Å |
| 359 | T | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.9 | -34.8 | 173.1 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | S355 V356 L357 R363 I484 S500 I503 A504 M507 | S355-T359 PolarHBondContact O-N 3.46Å; S355-T359 PolarHBondContact O-OG1 2.93Å; V356-T359 WeakPolarHBondContact O-CB 3.3Å; V356-T359 PolarHBondContact O-N 3.16Å; L357-T359 VanDerWaalsContact C-N 3.28Å; L357-T359 PolarHBondContact O-N 2.94Å; T359-R363 WeakPolarHBondContact O-CD 3.46Å; T359-R363 PolarHBondContact O-NH1 2.9Å; T359-I484 VanDerWaalsContact CA-O 3.25Å; T359-I484 WeakPolarHBondContact CA-O 3.43Å; T359-I484 VanDerWaalsContact CB-O 3.25Å; T359-I484 WeakPolarHBondContact CB-O 3.33Å; T359-I484 WeakPolarHBondContact CG2-O 3.03Å; T359-I484 PolarHBondContact OG1-O 3.15Å; T359-S500 WeakPolarHBondContact OG1-CB 3.47Å; T359-S500 PolarHBondContact OG1-OG 3.1Å; T359-I503 HydrophobicContact CG2-CB 4.05Å; T359-I503 HydrophobicContact CG2-CG2 3.91Å; T359-A504 HydrophobicContact CG2-CB 4.43Å; T359-M507 HydrophobicContact CG2-CE 3.88Å; T359-M507 WeakPolarHBondContact O-CE 3.42Å |
| 360 | M | 98.3 | Very high | 97.2 | Very high | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.025 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -88.3 | -18.8 | -179.8 | -63.4 | -176.9 | -64.7 | 0 | 0 | 113.7 | V356 L357 N358 G362 R363 I364 F366 I503 M507 L530 | V356-M360 HydrophobicContact CG1-CE 3.78Å; V356-M360 WeakPolarHBondContact O-CG 3.14Å; V356-M360 PolarHBondContact O-N 3.37Å; L357-M360 HydrophobicContact CD2-CE 4.03Å; L357-M360 PolarHBondContact O-N 2.78Å; L357-M360 VanDerWaalsContact O-N 3.11Å; N358-M360 VanDerWaalsContact C-N 3.31Å; N358-M360 PolarHBondContact O-N 3.22Å; M360-G362 PolarHBondContact O-N 2.89Å; M360-R363 WeakPolarHBondContact O-CB 3.45Å; M360-R363 PolarHBondContact O-N 3.01Å; M360-I364 HydrophobicContact CB-CD1 3.96Å; M360-I364 HydrophobicContact CB-CG1 4.22Å; M360-I364 HydrophobicContact CG-CD1 3.72Å; M360-I364 HydrophobicContact CG-CG1 4.46Å; M360-I364 PolarHBondContact O-N 3.02Å; M360-I364 HydrophobicContact SD-CD1 3.73Å; M360-F366 HydrophobicContact CE-CZ 4.36Å; M360-F366 HydrophobicContact SD-CZ 4.13Å; M360-I503 HydrophobicContact CG-CG2 3.6Å; M360-I503 HydrophobicContact SD-CG2 4.12Å; M360-M507 HydrophobicContact CG-SD 4.4Å; M360-L530 HydrophobicContact SD-CB 3.83Å; M360-L530 HydrophobicContact SD-CD2 3.99Å; M360-L530 HydrophobicContact SD-CG 4.35Å |
| 361 | R | 96.8 | Very high | 97.2 | Very high | 168 Ų | 168 | 51.2 Ų | 51.2 | 63% | 0.634 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 126.3 | -174.3 | -172.9 | 177.6 | -68.6 | 163.6 | 2.3 | 111.7 | L357 N358 R363 | L357-R361 PolarHBondContact O-N 3.33Å; N358-R361 PolarHBondContact O-N 2.86Å; N358-R361 PolarHBondContact OD1-NH1 2.76Å; N358-R361 PolarHBondContact OD1-NH2 3.3Å; R361-R363 PolarHBondContact O-N 2.99Å |
| 362 | G | 96 | Very high | 97.1 | Very high | 82 Ų | 82 | 55.8 Ų | 55.8 | 85% | 0.845 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 0.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | M360 | M360-G362 PolarHBondContact O-N 2.89Š|
| 363 | R | 97.8 | Very high | 97.1 | Very high | 43 Ų | 43 | 56.1 Ų | 56.1 | 16% | 0.162 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -28.8 | -177.4 | -63.1 | 162.5 | -166.8 | 176.4 | -4 | 112.9 | T359 M360 R361 V371 K372 L373 H483 M507 | T359-R363 WeakPolarHBondContact O-CD 3.46Å; T359-R363 PolarHBondContact O-NH1 2.9Å; M360-R363 WeakPolarHBondContact O-CB 3.45Å; M360-R363 PolarHBondContact O-N 3.01Å; R361-R363 PolarHBondContact O-N 2.99Å; R363-V371 CarbonylContact O-C 3.51Å; R363-V371 VanDerWaalsContact O-CA 3.3Å; R363-V371 WeakPolarHBondContact O-CA 3.45Å; R363-K372 WeakPolarHBondContact CA-O 3.37Å; R363-K372 WeakPolarHBondContact CB-O 3.38Å; R363-K372 PolarHBondContact O-N 3.02Å; R363-L373 HydrophobicContact CB-CD2 4.38Å; R363-L373 HydrophobicContact CG-CD2 4.23Å; R363-H483 VanDerWaalsContact CZ-O 3.24Å; R363-H483 PolarHBondContact NH1-O 3.21Å; R363-H483 PolarHBondContact NH2-O 2.85Å; R363-M507 HydrophobicContact CB-SD 3.85Å |
| 364 | I | 97.8 | Very high | 97 | Very high | 15 Ų | 15 | 58.8 Ų | 58.8 | 8% | 0.077 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.2 | 176.4 | -50 | -174.4 | 0 | 0 | 0 | 109.2 | M360 F366 T370 V371 M507 I527 L530 | M360-I364 HydrophobicContact CB-CD1 3.96Å; M360-I364 HydrophobicContact CB-CG1 4.22Å; M360-I364 HydrophobicContact CG-CD1 3.72Å; M360-I364 HydrophobicContact CG-CG1 4.46Å; M360-I364 PolarHBondContact O-N 3.02Å; M360-I364 HydrophobicContact SD-CD1 3.73Å; I364-F366 HydrophobicContact CB-CE1 4.31Å; I364-F366 HydrophobicContact CB-CE2 4.3Å; I364-F366 HydrophobicContact CB-CZ 4.1Å; I364-F366 HydrophobicContact CD1-CE1 4.37Å; I364-F366 HydrophobicContact CD1-CZ 4.29Å; I364-F366 HydrophobicContact CG2-CD1 3.7Å; I364-F366 HydrophobicContact CG2-CD2 4.33Å; I364-F366 HydrophobicContact CG2-CE1 3.61Å; I364-F366 HydrophobicContact CG2-CE2 4.26Å; I364-F366 HydrophobicContact CG2-CG 4.07Å; I364-F366 HydrophobicContact CG2-CZ 3.91Å; I364-T370 WeakPolarHBondContact CA-O 3.36Å; I364-V371 HydrophobicContact CG1-CG1 4.48Å; I364-V371 HydrophobicContact CG1-CG2 4.24Å; I364-V371 HydrophobicContact CG2-CG2 4.41Å; I364-M507 HydrophobicContact CD1-CG 3.97Å; I364-M507 HydrophobicContact CD1-SD 3.86Å; I364-M507 HydrophobicContact CG1-CG 4.25Å; I364-M507 HydrophobicContact CG1-SD 3.74Å; I364-I527 HydrophobicContact CG2-CG2 3.94Å; I364-L530 HydrophobicContact CD1-CB 4.46Å; I364-L530 HydrophobicContact CD1-CD1 3.68Å |
| 365 | K | 96.9 | Very high | 96.9 | Very high | 118 Ų | 118 | 57.8 Ų | 57.8 | 51% | 0.513 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 96.6 | 165.7 | -65.2 | -173.8 | 177.6 | -173.6 | 0 | 108 | D367 M368 N369 T370 | K365-D367 VanDerWaalsContact C-N 3.3Å; K365-D367 WeakPolarHBondContact CB-OD1 3.48Å; K365-D367 PolarHBondContact O-N 2.96Å; K365-M368 HydrophobicContact CB-CB 4.21Å; K365-M368 HydrophobicContact CD-SD 3.93Å; K365-M368 PolarHBondContact O-N 3.03Å; K365-N369 PolarHBondContact O-N 2.91Å; K365-T370 PolarHBondContact N-O 2.96Å; K365-T370 PolarHBondContact O-N 2.82Å |
| 366 | F | 95.9 | Very high | 96.8 | Very high | 79 Ų | 79 | 57.7 Ų | 57.7 | 35% | 0.346 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -32.7 | -174.3 | -66.6 | -73.3 | 0 | 0 | 0 | 112.9 | M360 I364 M368 N369 I527 L530 | M360-F366 HydrophobicContact CE-CZ 4.36Å; M360-F366 HydrophobicContact SD-CZ 4.13Å; I364-F366 HydrophobicContact CB-CE1 4.31Å; I364-F366 HydrophobicContact CB-CE2 4.3Å; I364-F366 HydrophobicContact CB-CZ 4.1Å; I364-F366 HydrophobicContact CD1-CE1 4.37Å; I364-F366 HydrophobicContact CD1-CZ 4.29Å; I364-F366 HydrophobicContact CG2-CD1 3.7Å; I364-F366 HydrophobicContact CG2-CD2 4.33Å; I364-F366 HydrophobicContact CG2-CE1 3.61Å; I364-F366 HydrophobicContact CG2-CE2 4.26Å; I364-F366 HydrophobicContact CG2-CG 4.07Å; I364-F366 HydrophobicContact CG2-CZ 3.91Å; F366-M368 VanDerWaalsContact C-N 3.33Å; F366-M368 PolarHBondContact O-N 3.33Å; F366-N369 PolarHBondContact O-OD1 3.45Å; F366-I527 HydrophobicContact CD1-CG2 3.83Å; F366-I527 HydrophobicContact CE1-CG2 4.35Å; F366-I527 WeakPolarHBondContact CE1-O 3.43Å; F366-L530 HydrophobicContact CE1-CB 4.15Å |
| 367 | D | 94.9 | Very high | 96.7 | Very high | 128 Ų | 128 | 60.6 Ų | 60.6 | 68% | 0.684 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -35.7 | 175.1 | 61.4 | -36.4 | 0 | 0 | 0 | 112.9 | K365 | K365-D367 VanDerWaalsContact C-N 3.3Å; K365-D367 WeakPolarHBondContact CB-OD1 3.48Å; K365-D367 PolarHBondContact O-N 2.96Å |
| 368 | M | 95.2 | Very high | 96.6 | Very high | 114 Ų | 114 | 65.8 Ų | 65.8 | 56% | 0.562 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -4.5 | -179 | -62.2 | -177.6 | -178.1 | 0 | 0 | 113.5 | K365 F366 T370 | K365-M368 HydrophobicContact CB-CB 4.21Å; K365-M368 HydrophobicContact CD-SD 3.93Å; K365-M368 PolarHBondContact O-N 3.03Å; F366-M368 VanDerWaalsContact C-N 3.33Å; F366-M368 PolarHBondContact O-N 3.33Å; M368-T370 HydrophobicContact CB-CG2 4.17Å; M368-T370 PolarHBondContact O-N 3.19Å |
| 369 | N | 95.5 | Very high | 96.6 | Very high | 42 Ų | 42 | 66.6 Ų | 66.6 | 23% | 0.225 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 40.8 | -170.4 | -67.1 | -50.5 | 0 | 0 | 0 | 113.5 | K365 F366 I524 I527 | K365-N369 PolarHBondContact O-N 2.91Å; F366-N369 PolarHBondContact O-OD1 3.45Å; N369-I524 HydrophobicContact CB-CG1 4.22Å; N369-I527 HydrophobicContact CB-CD1 4.17Å; N369-I527 VanDerWaalsContact O-CD1 3.23Å; N369-I527 WeakPolarHBondContact O-CD1 3.5Å |
| 370 | T | 96.4 | Very high | 96.4 | Very high | 51 Ų | 51 | 68 Ų | 68 | 31% | 0.313 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 145.5 | 179.2 | 56.6 | 0 | 0 | 0 | 0 | 111.9 | I364 K365 M368 | I364-T370 WeakPolarHBondContact CA-O 3.36Å; K365-T370 PolarHBondContact N-O 2.96Å; K365-T370 PolarHBondContact O-N 2.82Å; M368-T370 HydrophobicContact CB-CG2 4.17Å; M368-T370 PolarHBondContact O-N 3.19Å |
| 371 | V | 97.9 | Very high | 96.2 | Very high | 4 Ų | 4 | 71.4 Ų | 71.4 | 2% | 0.024 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 127.7 | 177.1 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | R363 I364 M507 L510 V511 I527 | R363-V371 CarbonylContact O-C 3.51Å; R363-V371 VanDerWaalsContact O-CA 3.3Å; R363-V371 WeakPolarHBondContact O-CA 3.45Å; I364-V371 HydrophobicContact CG1-CG1 4.48Å; I364-V371 HydrophobicContact CG1-CG2 4.24Å; I364-V371 HydrophobicContact CG2-CG2 4.41Å; V371-M507 HydrophobicContact CG1-CB 3.8Å; V371-M507 HydrophobicContact CG1-CG 3.96Å; V371-M507 HydrophobicContact CG1-SD 4.41Å; V371-L510 HydrophobicContact CB-CB 4.36Å; V371-L510 HydrophobicContact CG2-CB 4.06Å; V371-L510 HydrophobicContact CG2-CD1 3.85Å; V371-V511 HydrophobicContact CB-CG2 4.22Å; V371-V511 HydrophobicContact CG1-CG2 3.85Å; V371-I527 HydrophobicContact CG2-CD1 3.96Å; V371-I527 HydrophobicContact CG2-CG1 4.14Å |
| 372 | K | 96.9 | Very high | 96.1 | Very high | 147 Ų | 147 | 65 Ų | 65 | 64% | 0.639 | 38% | 0.383 | S | S | * | . | trans | -130 | 121.4 | 176.9 | -171.8 | 175.1 | -177.8 | 178.1 | 0 | 110.3 | R363 | R363-K372 WeakPolarHBondContact CA-O 3.37Å; R363-K372 WeakPolarHBondContact CB-O 3.38Å; R363-K372 PolarHBondContact O-N 3.02Å | ||
| 373 | L | 97.5 | Very high | 96.1 | Very high | 7 Ų | 7 | 61.1 Ų | 61.1 | 4% | 0.037 | 34% | 0.343 | C | S | . | . | trans | -102.7 | 94.9 | 172.1 | -64.7 | 175.7 | 0 | 0 | 0 | 108.7 | R363 G375 L376 V482 M507 F508 V511 | R363-L373 HydrophobicContact CB-CD2 4.38Å; R363-L373 HydrophobicContact CG-CD2 4.23Å; L373-G375 VanDerWaalsContact C-N 3.28Å; L373-G375 PolarHBondContact O-N 3.28Å; L373-L376 HydrophobicContact CB-CB 4.35Å; L373-L376 HydrophobicContact CB-CD1 3.92Å; L373-L376 HydrophobicContact CB-CG 3.99Å; L373-L376 HydrophobicContact CD1-CD1 3.72Å; L373-L376 HydrophobicContact CG-CD1 4.5Å; L373-L376 PolarHBondContact O-N 3.31Å; L373-V482 HydrophobicContact CD1-CG2 4.17Å; L373-V482 HydrophobicContact CD2-CG1 4.26Å; L373-V482 HydrophobicContact CD2-CG2 4.48Å; L373-M507 HydrophobicContact CD1-CB 4.29Å; L373-M507 HydrophobicContact CD2-CB 4.13Å; L373-M507 HydrophobicContact CD2-CE 4.14Å; L373-M507 HydrophobicContact CD2-SD 4.32Å; L373-M507 HydrophobicContact CG-CB 4.49Å; L373-F508 HydrophobicContact CD1-CB 4.18Å; L373-V511 HydrophobicContact CD1-CG2 4.18Å; L373-V511 HydrophobicContact CG-CG2 4.11Å | ||
| 374 | G | 96.3 | Very high | 96 | Very high | 55 Ų | 55 | 62.9 Ų | 62.9 | 57% | 0.567 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -53.7 | -41.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L376 A377 | G374-L376 PolarHBondContact O-N 3.17Å; G374-L376 VanDerWaalsContact O-N 3.09Å; G374-A377 WeakPolarHBondContact O-CB 3.19Å; G374-A377 PolarHBondContact O-N 3.4Å; G374-A377 VanDerWaalsContact O-N 3.12Å |
| 375 | G | 95.9 | Very high | 95.9 | Very high | 49 Ų | 49 | 71.2 Ų | 71.2 | 51% | 0.505 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -67.2 | -6.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L373 C480 G481 | L373-G375 VanDerWaalsContact C-N 3.28Å; L373-G375 PolarHBondContact O-N 3.28Å; G375-C480 WeakPolarHBondContact O-CB 3.15Å; G375-G481 CarbonylContact C-O 3.53Å; G375-G481 WeakPolarHBondContact CA-O 3.23Å; G375-G481 PolarHBondContact O-N 2.84Å |
| 376 | L | 96.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -107.7 | -6.3 | 175.5 | -52.9 | -173.8 | 0 | 0 | 0 | 113 | L373 G374 E378 H379 L380 L464 C480 V482 F508 | L373-L376 HydrophobicContact CB-CB 4.35Å; L373-L376 HydrophobicContact CB-CD1 3.92Å; L373-L376 HydrophobicContact CB-CG 3.99Å; L373-L376 HydrophobicContact CD1-CD1 3.72Å; L373-L376 HydrophobicContact CG-CD1 4.5Å; L373-L376 PolarHBondContact O-N 3.31Å; G374-L376 PolarHBondContact O-N 3.17Å; G374-L376 VanDerWaalsContact O-N 3.09Å; L376-E378 VanDerWaalsContact C-N 3.33Å; L376-E378 PolarHBondContact O-N 2.94Å; L376-H379 CarbonylContact O-C 3.6Å; L376-H379 PolarHBondContact O-N 3.05Å; L376-L380 WeakPolarHBondContact O-CB 3.37Å; L376-L380 PolarHBondContact O-N 3.18Å; L376-L464 HydrophobicContact CD1-CD1 4.11Å; L376-L464 HydrophobicContact CD2-CD1 3.56Å; L376-L464 HydrophobicContact CD2-CD2 4.19Å; L376-L464 HydrophobicContact CD2-CG 3.73Å; L376-C480 HydrophobicContact CD2-CB 4.12Å; L376-V482 HydrophobicContact CD1-CG2 4.12Å; L376-V482 HydrophobicContact CD2-CG2 4.15Å; L376-V482 HydrophobicContact CG-CG2 4.07Å; L376-F508 HydrophobicContact CD1-CD2 3.64Å; L376-F508 HydrophobicContact CD1-CE2 3.97Å |
| 377 | A | 94.7 | Very high | 96 | Very high | 60 Ų | 60 | 71.1 Ų | 71.1 | 50% | 0.496 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -42.6 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G374 H379 | G374-A377 WeakPolarHBondContact O-CB 3.19Å; G374-A377 PolarHBondContact O-N 3.4Å; G374-A377 VanDerWaalsContact O-N 3.12Å; A377-H379 VanDerWaalsContact C-N 3.3Å; A377-H379 PolarHBondContact O-N 3.28Å |
| 378 | E | 95.4 | Very high | 96.1 | Very high | 177 Ų | 177 | 67.2 Ų | 67.2 | 83% | 0.827 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -21.2 | -178.9 | -60.5 | -174.4 | 167.6 | 0 | 0 | 113.2 | L376 | L376-E378 VanDerWaalsContact C-N 3.33Å; L376-E378 PolarHBondContact O-N 2.94Å |
| 379 | H | 96.7 | Very high | 96.3 | Very high | 53 Ų | 53 | 61.8 Ų | 61.8 | 25% | 0.245 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -6.7 | -174.6 | -66.7 | -85.7 | 0 | 0 | 0 | 113.7 | L376 A377 S381 A382 I383 L462 H479 C480 | L376-H379 CarbonylContact O-C 3.6Å; L376-H379 PolarHBondContact O-N 3.05Å; A377-H379 VanDerWaalsContact C-N 3.3Å; A377-H379 PolarHBondContact O-N 3.28Å; H379-S381 VanDerWaalsContact C-N 3.28Å; H379-S381 PolarHBondContact O-N 3.14Å; H379-A382 WeakPolarHBondContact O-CA 3.47Å; H379-A382 WeakPolarHBondContact O-CB 3.43Å; H379-A382 PolarHBondContact O-N 2.87Å; H379-I383 HydrophobicContact CB-CD1 4.29Å; H379-I383 WeakPolarHBondContact O-CG1 3.13Å; H379-I383 PolarHBondContact O-N 3.36Å; H379-L462 HydrophobicContact CB-CD1 4.38Å; H379-H479 PolarHBondContact NE2-O 2.83Å; H379-C480 HydrophobicContact CB-CB 4.18Å |
| 380 | L | 94.6 | Very high | 96.4 | Very high | 31 Ų | 31 | 59.8 Ų | 59.8 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.3 | -37.6 | -172.9 | -177.3 | 57.3 | 0 | 0 | 0 | 112.8 | L376 A382 I383 R384 V511 | L376-L380 WeakPolarHBondContact O-CB 3.37Å; L376-L380 PolarHBondContact O-N 3.18Å; L380-A382 VanDerWaalsContact C-N 3.32Å; L380-A382 PolarHBondContact O-N 2.97Å; L380-I383 PolarHBondContact O-N 3.26Å; L380-R384 HydrophobicContact CD1-CG 4.24Å; L380-R384 WeakPolarHBondContact O-CG 3.44Å; L380-R384 PolarHBondContact O-N 3.46Å; L380-V511 HydrophobicContact CD1-CG1 3.48Å; L380-V511 VanDerWaalsContact CD1-CG1 3.48Å; L380-V511 HydrophobicContact CD2-CG1 3.84Å; L380-V511 HydrophobicContact CG-CG1 4.33Å |
| 381 | S | 94.2 | Very high | 96.6 | Very high | 76 Ų | 76 | 57.4 Ų | 57.4 | 53% | 0.531 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.1 | -31 | 176.4 | 66.7 | 0 | 0 | 0 | 0 | 113.1 | H379 R385 | H379-S381 VanDerWaalsContact C-N 3.28Å; H379-S381 PolarHBondContact O-N 3.14Å; S381-R385 WeakPolarHBondContact O-CG 3.34Å; S381-R385 PolarHBondContact O-NE 2.8Å |
| 382 | A | 95.2 | Very high | 96.6 | Very high | 33 Ų | 33 | 57.3 Ų | 57.3 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -74.4 | -42.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | H379 L380 R385 C386 L462 | H379-A382 WeakPolarHBondContact O-CA 3.47Å; H379-A382 WeakPolarHBondContact O-CB 3.43Å; H379-A382 PolarHBondContact O-N 2.87Å; L380-A382 VanDerWaalsContact C-N 3.32Å; L380-A382 PolarHBondContact O-N 2.97Å; A382-R385 PolarHBondContact O-N 2.83Å; A382-R385 VanDerWaalsContact O-N 3.17Å; A382-C386 PolarHBondContact O-N 3.46Å; A382-L462 HydrophobicContact CB-CD1 3.74Å |
| 383 | I | 96.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 177.9 | -63.2 | 165.9 | 0 | 0 | 0 | 111 | H379 L380 R385 C386 V436 L462 L464 F508 L512 | H379-I383 HydrophobicContact CB-CD1 4.29Å; H379-I383 WeakPolarHBondContact O-CG1 3.13Å; H379-I383 PolarHBondContact O-N 3.36Å; L380-I383 PolarHBondContact O-N 3.26Å; I383-R385 PolarHBondContact O-N 3.29Å; I383-C386 WeakPolarHBondContact O-CB 3.43Å; I383-C386 PolarHBondContact O-N 3.19Å; I383-C386 VanDerWaalsContact O-N 3.16Å; I383-C386 PolarHBondContact O-SG 2.87Å; I383-V436 HydrophobicContact CB-CG2 4.37Å; I383-V436 HydrophobicContact CG1-CG1 4.43Å; I383-V436 HydrophobicContact CG1-CG2 4.18Å; I383-V436 HydrophobicContact CG2-CG1 4.49Å; I383-V436 HydrophobicContact CG2-CG2 4.31Å; I383-L462 HydrophobicContact CD1-CD2 4.42Å; I383-L462 HydrophobicContact CG1-CD1 4.3Å; I383-L462 HydrophobicContact CG1-CD2 4.01Å; I383-L464 HydrophobicContact CD1-CD1 4.03Å; I383-F508 HydrophobicContact CG2-CE2 4.2Å; I383-F508 HydrophobicContact CG2-CZ 4.06Å; I383-L512 HydrophobicContact CG2-CD2 3.64Å |
| 384 | R | 94.5 | Very high | 96.7 | Very high | 81 Ų | 81 | 51.6 Ų | 51.6 | 31% | 0.306 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -19.3 | 177.9 | -73.6 | -176.7 | 178.6 | 161.6 | 8.1 | 113.9 | L380 V511 E514 D515 | L380-R384 HydrophobicContact CD1-CG 4.24Å; L380-R384 WeakPolarHBondContact O-CG 3.44Å; L380-R384 PolarHBondContact O-N 3.46Å; R384-V511 PolarHBondContact NH2-O 2.98Å; R384-E514 IonicContact NH2-OE2 3.68Å; R384-E514 PolarHBondContact NH2-OE2 2.67Å; R384-D515 IonicContact CZ-OD2 3.28Å; R384-D515 IonicContact NE-OD2 2.86Å; R384-D515 VanDerWaalsContact NH1-CG 3.3Å; R384-D515 IonicContact NH1-OD1 2.81Å; R384-D515 PolarHBondContact NH1-OD1 2.84Å; R384-D515 IonicContact NH1-OD2 2.76Å; R384-D515 PolarHBondContact NH1-OD2 2.78Å |
| 385 | R | 95.5 | Very high | 96.7 | Very high | 189 Ų | 189 | 50.7 Ų | 50.7 | 71% | 0.713 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -6.9 | 177.8 | -72.6 | -175.9 | -63.9 | 151.7 | 0.1 | 113.9 | S381 A382 I383 | S381-R385 WeakPolarHBondContact O-CG 3.34Å; S381-R385 PolarHBondContact O-NE 2.8Å; A382-R385 PolarHBondContact O-N 2.83Å; A382-R385 VanDerWaalsContact O-N 3.17Å; I383-R385 PolarHBondContact O-N 3.29Å |
| 386 | C | 96.7 | Very high | 96.9 | Very high | 10 Ų | 10 | 48.7 Ų | 48.7 | 7% | 0.068 | 25% | 0.246 | C | C | . | . | trans | -65.7 | 159.9 | 178.9 | 81.9 | 0 | 0 | 0 | 0 | 111 | A382 I383 L414 D434 V436 | A382-C386 PolarHBondContact O-N 3.46Å; I383-C386 WeakPolarHBondContact O-CB 3.43Å; I383-C386 PolarHBondContact O-N 3.19Å; I383-C386 VanDerWaalsContact O-N 3.16Å; I383-C386 PolarHBondContact O-SG 2.87Å; C386-L414 WeakPolarHBondContact O-CD2 3.42Å; C386-L414 VanDerWaalsContact SG-CD1 3.52Å; C386-D434 WeakPolarHBondContact CA-O 3.11Å; C386-D434 VanDerWaalsContact CB-O 3.27Å; C386-D434 WeakPolarHBondContact CB-O 3.49Å; C386-V436 HydrophobicContact CB-CB 4.35Å; C386-V436 HydrophobicContact CB-CG2 3.46Å; C386-V436 VanDerWaalsContact CB-CG2 3.46Å | ||
| 387 | R | 97.7 | Very high | 96.9 | Very high | 185 Ų | 185 | 49.2 Ų | 49.2 | 70% | 0.698 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -104.4 | -11.7 | -178.9 | -63.6 | -163.8 | -178.4 | 169.9 | -5.4 | 113.7 | P415 D434 | R387-P415 VanDerWaalsContact O-CD 3.3Å; R387-P415 WeakPolarHBondContact O-CD 3.02Å; R387-D434 WeakPolarHBondContact CD-OD2 3.3Å; R387-D434 HydrophobicContact CG-CB 4.48Å; R387-D434 WeakPolarHBondContact CG-OD2 3.34Å; R387-D434 PolarHBondContact N-O 3.3Å; R387-D434 IonicContact NE-OD2 3.47Å |
| 388 | R | 98.5 | Very high | 97.1 | Very high | 47 Ų | 47 | 49 Ų | 49 | 18% | 0.177 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 140.5 | -176.9 | 175.6 | 170.8 | 69.7 | 158.4 | 9.7 | 110.4 | I390 P415 P430 F432 D435 V436 | R388-I390 HydrophobicContact CG-CG1 4.1Å; R388-P415 HydrophobicContact CG-CB 4.3Å; R388-P430 PolarHBondContact NH2-O 3.41Å; R388-F432 VanDerWaalsContact NH2-CD2 3.28Å; R388-D435 WeakPolarHBondContact CB-OD1 3.36Å; R388-D435 IonicContact CZ-OD1 3.85Å; R388-D435 IonicContact CZ-OD2 3.64Å; R388-D435 IonicContact NE-OD1 2.96Å; R388-D435 PolarHBondContact NE-OD1 2.91Å; R388-D435 IonicContact NE-OD2 2.9Å; R388-D435 IonicContact NH2-OD1 3.48Å; R388-D435 PolarHBondContact NH2-OD1 3.37Å; R388-D435 IonicContact NH2-OD2 3.86Å; R388-D435 PolarHBondContact NH2-OD2 3.28Å; R388-V436 PolarHBondContact O-N 3.06Å |
| 389 | L | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 132.3 | 173.5 | -60.3 | 176.6 | 0 | 0 | 0 | 109.1 | F391 I408 L414 P415 V416 M417 V436 F508 L512 | L389-F391 HydrophobicContact CB-CD2 4.49Å; L389-F391 HydrophobicContact CB-CE2 3.82Å; L389-F391 HydrophobicContact CD1-CE2 4.35Å; L389-I408 HydrophobicContact CD1-CG2 3.55Å; L389-L414 HydrophobicContact CD1-CD1 4.29Å; L389-L414 HydrophobicContact CD2-CD1 4.37Å; L389-L414 HydrophobicContact CG-CD1 4.02Å; L389-P415 PolarHBondContact N-O 3.18Å; L389-V416 HydrophobicContact CB-CG2 4.34Å; L389-V416 HydrophobicContact CD1-CG2 4.32Å; L389-V416 WeakPolarHBondContact O-CA 3.21Å; L389-M417 PolarHBondContact O-N 2.9Å; L389-V436 WeakPolarHBondContact CA-O 3.41Å; L389-V436 HydrophobicContact CD2-CB 3.76Å; L389-V436 HydrophobicContact CD2-CG1 4.06Å; L389-V436 HydrophobicContact CD2-CG2 4.49Å; L389-F508 HydrophobicContact CD1-CE1 4.34Å; L389-L512 HydrophobicContact CD1-CD1 3.91Å |
| 390 | I | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 112.3 | 177.9 | -49.6 | 177.8 | 0 | 0 | 0 | 108.4 | R388 I392 M417 E419 I431 D435 V436 C437 V438 | R388-I390 HydrophobicContact CG-CG1 4.1Å; I390-I392 HydrophobicContact CG2-CD1 4.07Å; I390-I392 HydrophobicContact CG2-CG1 3.91Å; I390-M417 HydrophobicContact CG1-CB 4.38Å; I390-M417 HydrophobicContact CG2-CB 4.21Å; I390-E419 HydrophobicContact CG2-CG 4.24Å; I390-I431 HydrophobicContact CD1-CD1 3.6Å; I390-D435 HydrophobicContact CD1-CB 4.26Å; I390-V436 PolarHBondContact N-O 3.13Å; I390-C437 CarbonylContact O-C 3.54Å; I390-C437 WeakPolarHBondContact O-CA 3.31Å; I390-V438 PolarHBondContact O-N 3.39Å |
| 391 | F | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 128.8 | 177.1 | -67.8 | -97.1 | 0 | 0 | 0 | 109.9 | L389 A401 I408 V416 M417 V418 E419 V438 I440 L505 F508 | L389-F391 HydrophobicContact CB-CD2 4.49Å; L389-F391 HydrophobicContact CB-CE2 3.82Å; L389-F391 HydrophobicContact CD1-CE2 4.35Å; F391-A401 HydrophobicContact CB-CB 3.65Å; F391-A401 HydrophobicContact CD1-CB 4.42Å; F391-A401 HydrophobicContact CG-CB 4.23Å; F391-I408 HydrophobicContact CE1-CD1 3.91Å; F391-I408 HydrophobicContact CE2-CD1 3.96Å; F391-I408 HydrophobicContact CE2-CG2 4.18Å; F391-I408 HydrophobicContact CZ-CD1 3.45Å; F391-I408 VanDerWaalsContact CZ-CD1 3.45Å; F391-I408 HydrophobicContact CZ-CG2 4.22Å; F391-V416 HydrophobicContact CD2-CG1 3.64Å; F391-V416 HydrophobicContact CE2-CG1 3.69Å; F391-M417 PolarHBondContact N-O 3.29Å; F391-V418 HydrophobicContact CB-CG2 4.34Å; F391-V418 WeakPolarHBondContact O-CA 3.44Å; F391-E419 PolarHBondContact O-N 3.27Å; F391-V438 CarbonylContact C-O 3.59Å; F391-V438 WeakPolarHBondContact CA-O 3.42Å; F391-V438 HydrophobicContact CD1-CB 3.55Å; F391-V438 HydrophobicContact CD1-CG1 3.64Å; F391-V438 HydrophobicContact CD1-CG2 4.12Å; F391-V438 HydrophobicContact CE1-CB 3.62Å; F391-V438 HydrophobicContact CE1-CG1 3.61Å; F391-V438 HydrophobicContact CE1-CG2 3.71Å; F391-V438 HydrophobicContact CG-CB 4.18Å; F391-V438 HydrophobicContact CZ-CB 4.31Å; F391-V438 HydrophobicContact CZ-CG2 3.96Å; F391-I440 HydrophobicContact CD1-CD1 4.15Å; F391-L505 HydrophobicContact CD1-CD2 3.97Å; F391-L505 HydrophobicContact CE1-CD2 3.5Å; F391-F508 HydrophobicContact CZ-CD1 4.27Å; F391-F508 AromaticContact CZ-CE1 3.95Å; F391-F508 HydrophobicContact CZ-CE1 3.95Å |
| 392 | I | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 127 | -170.2 | -56.2 | 166.9 | 0 | 0 | 0 | 108.3 | I390 A421 L424 C437 V438 F439 I440 A452 | I390-I392 HydrophobicContact CG2-CD1 4.07Å; I390-I392 HydrophobicContact CG2-CG1 3.91Å; I392-A421 HydrophobicContact CG2-CB 3.69Å; I392-L424 HydrophobicContact CD1-CD1 3.56Å; I392-L424 HydrophobicContact CG1-CD1 3.77Å; I392-L424 HydrophobicContact CG2-CD1 4.45Å; I392-C437 HydrophobicContact CD1-CB 4.26Å; I392-V438 PolarHBondContact N-O 2.9Å; I392-F439 HydrophobicContact CB-CD1 3.93Å; I392-F439 HydrophobicContact CB-CE1 3.99Å; I392-F439 HydrophobicContact CD1-CD1 4.2Å; I392-F439 HydrophobicContact CD1-CE1 3.39Å; I392-F439 HydrophobicContact CD1-CZ 3.77Å; I392-F439 HydrophobicContact CG1-CE1 4.25Å; I392-F439 HydrophobicContact CG2-CD1 4.16Å; I392-F439 HydrophobicContact CG2-CE1 4.18Å; I392-F439 WeakPolarHBondContact O-CA 3.41Å; I392-I440 PolarHBondContact O-N 3.37Å; I392-A452 HydrophobicContact CG2-CB 3.86Å |
| 393 | G | 98.3 | Very high | 97.9 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.8 | 179.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E419 A421 | G393-E419 PolarHBondContact N-O 3.43Å; G393-A421 PolarHBondContact O-N 2.93Å |
| 394 | C | 98.1 | Very high | 98 | Very high | 32 Ų | 32 | 34 Ų | 34 | 22% | 0.216 | 16% | 0.155 | C | C | . | . | trans | -126.5 | 151.5 | 175.8 | -57.2 | 0 | 0 | 0 | 0 | 111 | T396 S397 Y398 T446 | C394-T396 PolarHBondContact O-N 3.09Å; C394-S397 WeakPolarHBondContact O-CB 3.27Å; C394-S397 PolarHBondContact O-N 3.19Å; C394-Y398 PolarHBondContact O-N 2.98Å; C394-T446 HydrophobicContact CB-CG2 4.26Å | ||
| 395 | G | 97.1 | Very high | 98.2 | Very high | 36 Ų | 36 | 35.6 Ų | 35.6 | 37% | 0.371 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | 52.7 | -131.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S397 Y398 H399 | G395-S397 PolarHBondContact O-N 2.81Å; G395-Y398 WeakPolarHBondContact O-CA 3.42Å; G395-Y398 WeakPolarHBondContact O-CB 3.43Å; G395-Y398 PolarHBondContact O-N 2.78Å; G395-H399 PolarHBondContact O-N 3.27Å; G395-H399 VanDerWaalsContact O-N 3.11Å |
| 396 | T | 98.5 | Very high | 98.3 | Very high | 8 Ų | 8 | 28.1 Ų | 28.1 | 5% | 0.049 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -55.8 | -32.2 | 177 | -63.4 | 0 | 0 | 0 | 0 | 113.7 | C394 H399 S400 Y498 E574 K578 | C394-T396 PolarHBondContact O-N 3.09Å; T396-H399 WeakPolarHBondContact O-CB 3.33Å; T396-H399 PolarHBondContact O-N 3.47Å; T396-S400 PolarHBondContact O-N 3.25Å; T396-Y498 HydrophobicContact CG2-CD2 3.55Å; T396-Y498 HydrophobicContact CG2-CG 3.87Å; T396-E574 WeakPolarHBondContact CA-OE2 3.33Å; T396-E574 WeakPolarHBondContact CB-OE2 3.15Å; T396-E574 VanDerWaalsContact CG2-OE1 3.32Å; T396-E574 WeakPolarHBondContact CG2-OE1 3.11Å; T396-E574 WeakPolarHBondContact CG2-OE2 3.27Å; T396-E574 PolarHBondContact OG1-OE1 2.97Å; T396-E574 VanDerWaalsContact OG1-OE1 3.06Å; T396-E574 PolarHBondContact OG1-OE2 3.43Å; T396-K578 PolarHBondContact OG1-NZ 3.06Å |
| 397 | S | 98.5 | Very high | 98.3 | Very high | 12 Ų | 12 | 27.8 Ų | 27.8 | 8% | 0.084 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.9 | -35.2 | 176.5 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | C394 G395 S400 I440 Q501 | C394-S397 WeakPolarHBondContact O-CB 3.27Å; C394-S397 PolarHBondContact O-N 3.19Å; G395-S397 PolarHBondContact O-N 2.81Å; S397-S400 WeakPolarHBondContact O-CB 3.46Å; S397-S400 PolarHBondContact O-N 2.93Å; S397-S400 PolarHBondContact O-OG 3.06Å; S397-I440 WeakPolarHBondContact CB-O 3.4Å; S397-Q501 PolarHBondContact OG-NE2 3.19Å; S397-Q501 VanDerWaalsContact OG-NE2 3.13Å |
| 398 | Y | 98.7 | Very high | 98.3 | Very high | 55 Ų | 55 | 19 Ų | 19 | 22% | 0.216 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64 | -43.2 | 170.2 | 165.2 | -94.2 | 0 | 0 | 0 | 111.1 | C394 G395 S400 A401 V402 V418 L420 | C394-Y398 PolarHBondContact O-N 2.98Å; G395-Y398 WeakPolarHBondContact O-CA 3.42Å; G395-Y398 WeakPolarHBondContact O-CB 3.43Å; G395-Y398 PolarHBondContact O-N 2.78Å; Y398-S400 PolarHBondContact O-N 3.33Å; Y398-A401 WeakPolarHBondContact O-CB 3.31Å; Y398-A401 PolarHBondContact O-N 2.82Å; Y398-A401 VanDerWaalsContact O-N 3.08Å; Y398-V402 HydrophobicContact CD1-CG2 4.13Å; Y398-V402 HydrophobicContact CE1-CG2 3.61Å; Y398-V402 HydrophobicContact CE2-CG2 4.22Å; Y398-V402 PolarHBondContact O-N 3.32Å; Y398-V402 VanDerWaalsContact O-N 3.09Å; Y398-V418 HydrophobicContact CD2-CG1 3.84Å; Y398-V418 HydrophobicContact CE2-CG1 3.63Å; Y398-L420 HydrophobicContact CD1-CD2 3.87Å; Y398-L420 HydrophobicContact CD1-CG 4.39Å; Y398-L420 HydrophobicContact CD2-CD2 3.77Å; Y398-L420 HydrophobicContact CD2-CG 3.88Å; Y398-L420 HydrophobicContact CE1-CD2 4.38Å; Y398-L420 HydrophobicContact CE1-CG 4.45Å; Y398-L420 HydrophobicContact CE2-CD2 4.26Å; Y398-L420 HydrophobicContact CE2-CG 3.9Å; Y398-L420 HydrophobicContact CG-CD2 3.56Å; Y398-L420 HydrophobicContact CG-CG 4.14Å |
| 399 | H | 98.7 | Very high | 98.3 | Very high | 20 Ų | 20 | 19.9 Ų | 19.9 | 9% | 0.093 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.8 | -34.5 | 175.6 | -62.8 | 160.3 | 0 | 0 | 0 | 112.7 | G395 T396 A401 V402 A403 Y498 L573 E574 | G395-H399 PolarHBondContact O-N 3.27Å; G395-H399 VanDerWaalsContact O-N 3.11Å; T396-H399 WeakPolarHBondContact O-CB 3.33Å; T396-H399 PolarHBondContact O-N 3.47Å; H399-A401 VanDerWaalsContact C-N 3.31Å; H399-A401 PolarHBondContact O-N 2.85Å; H399-V402 PolarHBondContact O-N 3.39Å; H399-A403 WeakPolarHBondContact O-CB 3.19Å; H399-A403 PolarHBondContact O-N 3.13Å; H399-Y498 HydrophobicContact CB-CE2 3.98Å; H399-L573 PolarHBondContact CE1-O 2.9Å; H399-E574 HydrophobicContact CB-CB 4.37Å; H399-E574 IonicContact CE1-OE2 3.7Å; H399-E574 IonicContact CG-OE2 3.36Å; H399-E574 WeakPolarHBondContact ND1-CA 3.43Å; H399-E574 IonicContact ND1-OE2 3.97Å; H399-E574 PolarHBondContact ND1-OE2 2.94Å |
| 400 | S | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.4 | -40.6 | 176 | 80 | 0 | 0 | 0 | 0 | 112.3 | T396 S397 Y398 A403 T404 Q501 | T396-S400 PolarHBondContact O-N 3.25Å; S397-S400 WeakPolarHBondContact O-CB 3.46Å; S397-S400 PolarHBondContact O-N 2.93Å; S397-S400 PolarHBondContact O-OG 3.06Å; Y398-S400 PolarHBondContact O-N 3.33Å; S400-A403 WeakPolarHBondContact O-CB 3.15Å; S400-A403 PolarHBondContact O-N 3.05Å; S400-T404 PolarHBondContact O-N 3.28Å; S400-T404 PolarHBondContact O-OG1 2.87Å; S400-Q501 PolarHBondContact OG-OE1 2.93Å |
| 401 | A | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 2% | 0.017 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.2 | -40.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F391 Y398 H399 A403 T404 R405 V418 I440 | F391-A401 HydrophobicContact CB-CB 3.65Å; F391-A401 HydrophobicContact CD1-CB 4.42Å; F391-A401 HydrophobicContact CG-CB 4.23Å; Y398-A401 WeakPolarHBondContact O-CB 3.31Å; Y398-A401 PolarHBondContact O-N 2.82Å; Y398-A401 VanDerWaalsContact O-N 3.08Å; H399-A401 VanDerWaalsContact C-N 3.31Å; H399-A401 PolarHBondContact O-N 2.85Å; A401-A403 VanDerWaalsContact C-N 3.27Å; A401-A403 PolarHBondContact O-N 3.29Å; A401-T404 PolarHBondContact O-N 3.02Å; A401-R405 WeakPolarHBondContact O-CB 3.38Å; A401-R405 PolarHBondContact O-N 3.18Å; A401-V418 HydrophobicContact CB-CB 4.5Å; A401-V418 HydrophobicContact CB-CG1 3.47Å; A401-V418 VanDerWaalsContact CB-CG1 3.47Å; A401-V418 HydrophobicContact CB-CG2 4.23Å; A401-I440 HydrophobicContact CB-CD1 3.76Å |
| 402 | V | 98.5 | Very high | 98 | Very high | 27 Ų | 27 | 24.1 Ų | 24.1 | 16% | 0.164 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.7 | -40.2 | 174.7 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | Y398 H399 T404 V418 Y569 A570 | Y398-V402 HydrophobicContact CD1-CG2 4.13Å; Y398-V402 HydrophobicContact CE1-CG2 3.61Å; Y398-V402 HydrophobicContact CE2-CG2 4.22Å; Y398-V402 PolarHBondContact O-N 3.32Å; Y398-V402 VanDerWaalsContact O-N 3.09Å; H399-V402 PolarHBondContact O-N 3.39Å; V402-T404 VanDerWaalsContact C-N 3.32Å; V402-T404 PolarHBondContact O-N 3.16Å; V402-V418 HydrophobicContact CG2-CG1 3.92Å; V402-Y569 HydrophobicContact CG1-CD1 4.14Å; V402-Y569 HydrophobicContact CG1-CE1 4.47Å; V402-A570 HydrophobicContact CB-CB 4.04Å; V402-A570 HydrophobicContact CG1-CB 3.98Å |
| 403 | A | 98.2 | Very high | 97.9 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.3 | -36.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | H399 S400 A401 L502 A570 | H399-A403 WeakPolarHBondContact O-CB 3.19Å; H399-A403 PolarHBondContact O-N 3.13Å; S400-A403 WeakPolarHBondContact O-CB 3.15Å; S400-A403 PolarHBondContact O-N 3.05Å; A401-A403 VanDerWaalsContact C-N 3.27Å; A401-A403 PolarHBondContact O-N 3.29Å; A403-L502 HydrophobicContact CB-CD1 4.15Å; A403-L502 HydrophobicContact CB-CD2 4.04Å; A403-L502 HydrophobicContact CB-CG 4.04Å; A403-A570 HydrophobicContact CB-CB 3.49Å; A403-A570 VanDerWaalsContact CB-CB 3.49Å; A403-A570 VanDerWaalsContact N-CB 3.33Å |
| 404 | T | 98.4 | Very high | 97.8 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -99.1 | -7.6 | -176.8 | 59.4 | 0 | 0 | 0 | 0 | 114.3 | S400 A401 V402 A406 L407 I408 L502 L505 V506 | S400-T404 PolarHBondContact O-N 3.28Å; S400-T404 PolarHBondContact O-OG1 2.87Å; A401-T404 PolarHBondContact O-N 3.02Å; V402-T404 VanDerWaalsContact C-N 3.32Å; V402-T404 PolarHBondContact O-N 3.16Å; T404-A406 PolarHBondContact O-N 3.03Å; T404-L407 WeakPolarHBondContact O-CB 3.34Å; T404-L407 PolarHBondContact O-N 3.37Å; T404-L407 VanDerWaalsContact O-N 3.09Å; T404-I408 WeakPolarHBondContact O-CG1 3.39Å; T404-I408 PolarHBondContact O-N 3.01Å; T404-L502 HydrophobicContact CG2-CG 4.3Å; T404-L505 HydrophobicContact CG2-CB 3.71Å; T404-L505 HydrophobicContact CG2-CD1 4.13Å; T404-L505 WeakPolarHBondContact OG1-CD1 3.23Å; T404-V506 HydrophobicContact CG2-CG2 4.39Å |
| 405 | R | 98.5 | Very high | 97.8 | Very high | 113 Ų | 113 | 34.7 Ų | 34.7 | 43% | 0.426 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -47.8 | -54.5 | -177.1 | 179.1 | -178 | 172.3 | 171.3 | 2 | 112.8 | A401 L407 I408 E409 V416 V418 | A401-R405 WeakPolarHBondContact O-CB 3.38Å; A401-R405 PolarHBondContact O-N 3.18Å; R405-L407 VanDerWaalsContact C-N 3.3Å; R405-L407 PolarHBondContact O-N 3.02Å; R405-I408 PolarHBondContact O-N 3.25Å; R405-I408 VanDerWaalsContact O-N 3.14Å; R405-E409 HydrophobicContact CG-CG 4.4Å; R405-E409 IonicContact CZ-OE1 3.25Å; R405-E409 IonicContact NE-OE1 2.85Å; R405-E409 PolarHBondContact NE-OE1 3.29Å; R405-E409 IonicContact NH2-OE1 2.98Å; R405-E409 PolarHBondContact NH2-OE1 3.39Å; R405-E409 WeakPolarHBondContact O-CG 2.98Å; R405-E409 PolarHBondContact O-N 3.27Å; R405-V416 HydrophobicContact CG-CB 4.38Å; R405-V416 HydrophobicContact CG-CG1 4.06Å; R405-V418 HydrophobicContact CB-CG2 4.08Å; R405-V418 HydrophobicContact CG-CG2 4.09Å |
| 406 | A | 97.3 | Very high | 97.9 | Very high | 33 Ų | 33 | 33.2 Ų | 33.2 | 27% | 0.273 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -63 | -35.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T404 E410 Y567 | T404-A406 PolarHBondContact O-N 3.03Å; A406-E410 WeakPolarHBondContact O-CB 3.42Å; A406-E410 PolarHBondContact O-N 3.35Å; A406-Y567 HydrophobicContact CB-CE1 3.9Å |
| 407 | L | 97.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.6 | -43.6 | 175.3 | 175.7 | 66.9 | 0 | 0 | 0 | 110.9 | T404 R405 E410 M411 V506 A509 I526 Y567 C663 | T404-L407 WeakPolarHBondContact O-CB 3.34Å; T404-L407 PolarHBondContact O-N 3.37Å; T404-L407 VanDerWaalsContact O-N 3.09Å; R405-L407 VanDerWaalsContact C-N 3.3Å; R405-L407 PolarHBondContact O-N 3.02Å; L407-E410 PolarHBondContact O-N 3.25Å; L407-M411 HydrophobicContact CD1-CE 3.58Å; L407-M411 HydrophobicContact CD1-CG 3.78Å; L407-M411 HydrophobicContact CG-CG 4.18Å; L407-M411 WeakPolarHBondContact O-CB 2.9Å; L407-M411 WeakPolarHBondContact O-CG 3.24Å; L407-M411 PolarHBondContact O-N 3.29Å; L407-V506 HydrophobicContact CD2-CB 4.16Å; L407-V506 HydrophobicContact CD2-CG1 4.1Å; L407-V506 HydrophobicContact CD2-CG2 3.72Å; L407-A509 HydrophobicContact CD2-CB 4.12Å; L407-A509 HydrophobicContact CG-CB 4.03Å; L407-I526 HydrophobicContact CD1-CD1 3.85Å; L407-Y567 HydrophobicContact CB-CE1 4.16Å; L407-C663 HydrophobicContact CB-CB 4.21Å; L407-C663 HydrophobicContact CD1-CB 4Å; L407-C663 HydrophobicContact CD2-CB 4.06Å; L407-C663 HydrophobicContact CG-CB 4.32Å |
| 408 | I | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.9 | -44.1 | -178.2 | -63.2 | 168.8 | 0 | 0 | 0 | 110.1 | L389 F391 T404 R405 E410 M411 S412 V416 A509 | L389-I408 HydrophobicContact CD1-CG2 3.55Å; F391-I408 HydrophobicContact CE1-CD1 3.91Å; F391-I408 HydrophobicContact CE2-CD1 3.96Å; F391-I408 HydrophobicContact CE2-CG2 4.18Å; F391-I408 HydrophobicContact CZ-CD1 3.45Å; F391-I408 VanDerWaalsContact CZ-CD1 3.45Å; F391-I408 HydrophobicContact CZ-CG2 4.22Å; T404-I408 WeakPolarHBondContact O-CG1 3.39Å; T404-I408 PolarHBondContact O-N 3.01Å; R405-I408 PolarHBondContact O-N 3.25Å; R405-I408 VanDerWaalsContact O-N 3.14Å; I408-E410 VanDerWaalsContact C-N 3.3Å; I408-E410 PolarHBondContact O-N 2.87Å; I408-M411 PolarHBondContact O-N 3.14Å; I408-S412 WeakPolarHBondContact O-CB 3.08Å; I408-S412 PolarHBondContact O-N 2.82Å; I408-S412 PolarHBondContact O-OG 3.17Å; I408-V416 HydrophobicContact CB-CG2 4.27Å; I408-V416 HydrophobicContact CG2-CG2 3.74Å; I408-A509 HydrophobicContact CG1-CB 4.02Å |
| 409 | E | 98 | Very high | 97.9 | Very high | 67 Ų | 67 | 34.1 Ų | 34.1 | 31% | 0.313 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -54.3 | -45.8 | 174 | -72.3 | 171.7 | 162.1 | 0 | 0 | 111.5 | R405 E413 V416 | R405-E409 HydrophobicContact CG-CG 4.4Å; R405-E409 IonicContact CZ-OE1 3.25Å; R405-E409 IonicContact NE-OE1 2.85Å; R405-E409 PolarHBondContact NE-OE1 3.29Å; R405-E409 IonicContact NH2-OE1 2.98Å; R405-E409 PolarHBondContact NH2-OE1 3.39Å; R405-E409 WeakPolarHBondContact O-CG 2.98Å; R405-E409 PolarHBondContact O-N 3.27Å; E409-E413 VanDerWaalsContact O-CA 3.25Å; E409-E413 WeakPolarHBondContact O-CA 3.18Å; E409-E413 PolarHBondContact O-N 3.38Å; E409-V416 HydrophobicContact CB-CG2 4.35Å; E409-V416 HydrophobicContact CG-CB 3.6Å; E409-V416 HydrophobicContact CG-CG2 3.51Å |
| 410 | E | 96.6 | Very high | 97.9 | Very high | 73 Ų | 73 | 36.5 Ų | 36.5 | 34% | 0.341 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -67.7 | -43.1 | 178.8 | -176.2 | -179 | 173.9 | 0 | 0 | 112.9 | A406 L407 I408 R516 K522 | A406-E410 WeakPolarHBondContact O-CB 3.42Å; A406-E410 PolarHBondContact O-N 3.35Å; L407-E410 PolarHBondContact O-N 3.25Å; I408-E410 VanDerWaalsContact C-N 3.3Å; I408-E410 PolarHBondContact O-N 2.87Å; E410-R516 PolarHBondContact O-NH2 2.8Å; E410-K522 WeakPolarHBondContact OE1-CD 3.13Å; E410-K522 WeakPolarHBondContact OE1-CE 3.45Å; E410-K522 IonicContact OE1-NZ 3.54Å; E410-K522 PolarHBondContact OE1-NZ 3.49Å; E410-K522 IonicContact OE2-NZ 3.85Å; E410-K522 PolarHBondContact OE2-NZ 3.06Å |
| 411 | M | 97.1 | Very high | 97.9 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -76.9 | -33.8 | -174.6 | -69.3 | -64.3 | 168.8 | 0 | 0 | 112.9 | L407 I408 A509 S513 R516 L519 K522 I526 | L407-M411 HydrophobicContact CD1-CE 3.58Å; L407-M411 HydrophobicContact CD1-CG 3.78Å; L407-M411 HydrophobicContact CG-CG 4.18Å; L407-M411 WeakPolarHBondContact O-CB 2.9Å; L407-M411 WeakPolarHBondContact O-CG 3.24Å; L407-M411 PolarHBondContact O-N 3.29Å; I408-M411 PolarHBondContact O-N 3.14Å; M411-A509 HydrophobicContact CB-CB 3.97Å; M411-A509 WeakPolarHBondContact CB-O 3.12Å; M411-A509 HydrophobicContact CG-CB 4Å; M411-S513 WeakPolarHBondContact O-CB 3.34Å; M411-R516 PolarHBondContact O-NH2 3.43Å; M411-L519 HydrophobicContact SD-CD1 4.1Å; M411-K522 HydrophobicContact CE-CB 4.26Å; M411-K522 HydrophobicContact CE-CD 3.49Å; M411-K522 VanDerWaalsContact CE-CD 3.49Å; M411-K522 HydrophobicContact CE-CG 3.64Å; M411-I526 HydrophobicContact CE-CD1 3.48Å; M411-I526 VanDerWaalsContact CE-CD1 3.48Å |
| 412 | S | 95.8 | Very high | 97.8 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 11% | 0.105 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -97.6 | -21.3 | -178.9 | 79.1 | 0 | 0 | 0 | 0 | 113.7 | I408 L414 | I408-S412 WeakPolarHBondContact O-CB 3.08Å; I408-S412 PolarHBondContact O-N 2.82Å; I408-S412 PolarHBondContact O-OG 3.17Å; S412-L414 PolarHBondContact O-N 3.13Å; S412-L414 WeakPolarHBondContact OG-CB 3.18Å; S412-L414 PolarHBondContact OG-N 2.87Å |
| 413 | E | 95.8 | Very high | 97.8 | Very high | 141 Ų | 141 | 40.4 Ų | 40.4 | 66% | 0.659 | 21% | 0.211 | S | C | * | . | trans | 53.7 | 26.6 | -168.5 | -81.5 | 171.4 | 176.7 | 0 | 0 | 113.8 | E409 R516 | E409-E413 VanDerWaalsContact O-CA 3.25Å; E409-E413 WeakPolarHBondContact O-CA 3.18Å; E409-E413 PolarHBondContact O-N 3.38Å; E413-R516 VanDerWaalsContact CD-CZ 3.43Å; E413-R516 VanDerWaalsContact CD-NH1 3.29Å; E413-R516 IonicContact OE1-CZ 3.72Å; E413-R516 IonicContact OE1-NH2 2.7Å; E413-R516 IonicContact OE2-CZ 3.51Å; E413-R516 IonicContact OE2-NH1 3.4Å; E413-R516 PolarHBondContact OE2-NH1 3.37Å; E413-R516 IonicContact OE2-NH2 3.96Å; E413-R516 PolarHBondContact OE2-NH2 3.26Å | ||
| 414 | L | 97 | Very high | 97.8 | Very high | 37 Ų | 37 | 40.3 Ų | 40.3 | 19% | 0.194 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -104.2 | 151.4 | 177.1 | -62.6 | 175.3 | 0 | 0 | 0 | 110.3 | C386 L389 S412 V416 | C386-L414 WeakPolarHBondContact O-CD2 3.42Å; C386-L414 VanDerWaalsContact SG-CD1 3.52Å; L389-L414 HydrophobicContact CD1-CD1 4.29Å; L389-L414 HydrophobicContact CD2-CD1 4.37Å; L389-L414 HydrophobicContact CG-CD1 4.02Å; S412-L414 PolarHBondContact O-N 3.13Å; S412-L414 WeakPolarHBondContact OG-CB 3.18Å; S412-L414 PolarHBondContact OG-N 2.87Å; L414-V416 PolarHBondContact O-N 3.06Å |
| 415 | P | 98.4 | Very high | 97.7 | Very high | 79 Ų | 79 | 41.9 Ų | 41.9 | 51% | 0.513 | 22% | 0.218 | S | C | . | . | trans | -54.5 | 122.7 | 161.4 | -21.7 | 32.2 | 0 | 0 | 0 | 110.3 | R387 R388 L389 | R387-P415 VanDerWaalsContact O-CD 3.3Å; R387-P415 WeakPolarHBondContact O-CD 3.02Å; R388-P415 HydrophobicContact CG-CB 4.3Å; L389-P415 PolarHBondContact N-O 3.18Å | ||
| 416 | V | 98.6 | Very high | 97.7 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 120.9 | 174.6 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | L389 F391 R405 I408 E409 L414 V418 | L389-V416 HydrophobicContact CB-CG2 4.34Å; L389-V416 HydrophobicContact CD1-CG2 4.32Å; L389-V416 WeakPolarHBondContact O-CA 3.21Å; F391-V416 HydrophobicContact CD2-CG1 3.64Å; F391-V416 HydrophobicContact CE2-CG1 3.69Å; R405-V416 HydrophobicContact CG-CB 4.38Å; R405-V416 HydrophobicContact CG-CG1 4.06Å; I408-V416 HydrophobicContact CB-CG2 4.27Å; I408-V416 HydrophobicContact CG2-CG2 3.74Å; E409-V416 HydrophobicContact CB-CG2 4.35Å; E409-V416 HydrophobicContact CG-CB 3.6Å; E409-V416 HydrophobicContact CG-CG2 3.51Å; L414-V416 PolarHBondContact O-N 3.06Å; V416-V418 HydrophobicContact CG1-CG2 4.38Å |
| 417 | M | 98.5 | Very high | 97.7 | Very high | 53 Ų | 53 | 46.9 Ų | 46.9 | 26% | 0.261 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 144.3 | 170.2 | -68.8 | 179.3 | 68.9 | 0 | 0 | 109.6 | L389 I390 F391 E419 | L389-M417 PolarHBondContact O-N 2.9Å; I390-M417 HydrophobicContact CG1-CB 4.38Å; I390-M417 HydrophobicContact CG2-CB 4.21Å; F391-M417 PolarHBondContact N-O 3.29Å; M417-E419 WeakPolarHBondContact CE-OE1 3.21Å |
| 418 | V | 98.6 | Very high | 97.7 | Very high | 18 Ų | 18 | 54 Ų | 54 | 11% | 0.109 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 117.7 | 175.2 | -175.5 | 0 | 0 | 0 | 0 | 107.3 | F391 Y398 A401 V402 R405 V416 | F391-V418 HydrophobicContact CB-CG2 4.34Å; F391-V418 WeakPolarHBondContact O-CA 3.44Å; Y398-V418 HydrophobicContact CD2-CG1 3.84Å; Y398-V418 HydrophobicContact CE2-CG1 3.63Å; A401-V418 HydrophobicContact CB-CB 4.5Å; A401-V418 HydrophobicContact CB-CG1 3.47Å; A401-V418 VanDerWaalsContact CB-CG1 3.47Å; A401-V418 HydrophobicContact CB-CG2 4.23Å; V402-V418 HydrophobicContact CG2-CG1 3.92Å; R405-V418 HydrophobicContact CB-CG2 4.08Å; R405-V418 HydrophobicContact CG-CG2 4.09Å; V416-V418 HydrophobicContact CG1-CG2 4.38Å |
| 419 | E | 98.6 | Very high | 97.7 | Very high | 23 Ų | 23 | 54.2 Ų | 54.2 | 11% | 0.107 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 138.8 | -167.3 | -68.1 | -75 | -170.8 | 0 | 0 | 110.7 | I390 F391 G393 M417 L424 R427 | I390-E419 HydrophobicContact CG2-CG 4.24Å; F391-E419 PolarHBondContact O-N 3.27Å; G393-E419 PolarHBondContact N-O 3.43Å; M417-E419 WeakPolarHBondContact CE-OE1 3.21Å; E419-L424 HydrophobicContact CB-CB 4.32Å; E419-L424 HydrophobicContact CB-CD1 3.9Å; E419-L424 HydrophobicContact CG-CD1 4.16Å; E419-R427 IonicContact OE1-NH2 2.76Å; E419-R427 PolarHBondContact OE1-NH2 3.46Å; E419-R427 IonicContact OE2-NH2 3.29Å; E419-R427 PolarHBondContact OE2-NH2 3.29Å |
| 420 | L | 98.5 | Very high | 97.7 | Very high | 70 Ų | 70 | 54.9 Ų | 54.9 | 37% | 0.366 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 131.1 | 164 | -76.1 | 167.6 | 0 | 0 | 0 | 108 | Y398 S422 D423 L424 | Y398-L420 HydrophobicContact CD1-CD2 3.87Å; Y398-L420 HydrophobicContact CD1-CG 4.39Å; Y398-L420 HydrophobicContact CD2-CD2 3.77Å; Y398-L420 HydrophobicContact CD2-CG 3.88Å; Y398-L420 HydrophobicContact CE1-CD2 4.38Å; Y398-L420 HydrophobicContact CE1-CG 4.45Å; Y398-L420 HydrophobicContact CE2-CD2 4.26Å; Y398-L420 HydrophobicContact CE2-CG 3.9Å; Y398-L420 HydrophobicContact CG-CD2 3.56Å; Y398-L420 HydrophobicContact CG-CG 4.14Å; L420-S422 VanDerWaalsContact C-N 3.33Å; L420-S422 PolarHBondContact O-N 3.03Å; L420-D423 HydrophobicContact CB-CB 4.35Å; L420-D423 PolarHBondContact O-N 2.91Å; L420-L424 WeakPolarHBondContact O-CB 3.5Å; L420-L424 PolarHBondContact O-N 2.77Å |
| 421 | A | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.5 | -38.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I392 G393 L425 D448 A452 | I392-A421 HydrophobicContact CG2-CB 3.69Å; G393-A421 PolarHBondContact O-N 2.93Å; A421-L425 WeakPolarHBondContact O-CG 3.47Å; A421-L425 PolarHBondContact O-N 2.9Å; A421-D448 HydrophobicContact CB-CB 3.73Å; A421-A452 HydrophobicContact CB-CB 4.23Å |
| 422 | S | 97 | Very high | 97.8 | Very high | 45 Ų | 45 | 57.2 Ų | 57.2 | 32% | 0.315 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.1 | -52.5 | 176.2 | 50.6 | 0 | 0 | 0 | 0 | 112.1 | L420 L424 L425 D426 | L420-S422 VanDerWaalsContact C-N 3.33Å; L420-S422 PolarHBondContact O-N 3.03Å; S422-L424 VanDerWaalsContact C-N 3.27Å; S422-L424 PolarHBondContact O-N 2.85Å; S422-L425 WeakPolarHBondContact O-CB 3.44Å; S422-L425 PolarHBondContact O-N 2.87Å; S422-D426 PolarHBondContact O-N 2.91Å |
| 423 | D | 98.3 | Very high | 97.9 | Very high | 67 Ų | 67 | 66.8 Ų | 66.8 | 36% | 0.358 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.5 | -34.9 | 178.7 | -177.9 | 65.7 | 0 | 0 | 0 | 112.4 | L420 L425 D426 R427 | L420-D423 HydrophobicContact CB-CB 4.35Å; L420-D423 PolarHBondContact O-N 2.91Å; D423-L425 VanDerWaalsContact C-N 3.32Å; D423-L425 PolarHBondContact O-N 3.38Å; D423-D426 PolarHBondContact O-N 3.42Å; D423-R427 WeakPolarHBondContact O-CB 3.23Å; D423-R427 VanDerWaalsContact O-CG 3.32Å; D423-R427 WeakPolarHBondContact O-CG 3.46Å; D423-R427 PolarHBondContact O-N 2.99Å; D423-R427 IonicContact OD1-NE 3.51Å; D423-R427 IonicContact OD2-CZ 3.31Å; D423-R427 IonicContact OD2-NE 3.85Å; D423-R427 PolarHBondContact OD2-NE 3.31Å; D423-R427 IonicContact OD2-NH2 3.75Å |
| 424 | L | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.1 | -42.2 | 173.7 | -178.9 | 152.2 | 0 | 0 | 0 | 112.1 | I392 E419 L420 S422 K428 T429 A452 Y455 | I392-L424 HydrophobicContact CD1-CD1 3.56Å; I392-L424 HydrophobicContact CG1-CD1 3.77Å; I392-L424 HydrophobicContact CG2-CD1 4.45Å; E419-L424 HydrophobicContact CB-CB 4.32Å; E419-L424 HydrophobicContact CB-CD1 3.9Å; E419-L424 HydrophobicContact CG-CD1 4.16Å; L420-L424 WeakPolarHBondContact O-CB 3.5Å; L420-L424 PolarHBondContact O-N 2.77Å; S422-L424 VanDerWaalsContact C-N 3.27Å; S422-L424 PolarHBondContact O-N 2.85Å; L424-K428 PolarHBondContact O-N 2.89Å; L424-T429 PolarHBondContact O-N 2.88Å; L424-T429 VanDerWaalsContact O-N 3.09Å; L424-T429 PolarHBondContact O-OG1 2.9Å; L424-A452 HydrophobicContact CD2-CB 4.12Å; L424-Y455 HydrophobicContact CD2-CD1 4.13Å; L424-Y455 HydrophobicContact CD2-CE1 4.32Å |
| 425 | L | 97.2 | Very high | 98.1 | Very high | 38 Ų | 38 | 61.5 Ų | 61.5 | 20% | 0.199 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.3 | -46.8 | 177.8 | -70.7 | 168.5 | 0 | 0 | 0 | 111 | A421 S422 D423 R427 K428 L451 A452 Y455 | A421-L425 WeakPolarHBondContact O-CG 3.47Å; A421-L425 PolarHBondContact O-N 2.9Å; S422-L425 WeakPolarHBondContact O-CB 3.44Å; S422-L425 PolarHBondContact O-N 2.87Å; D423-L425 VanDerWaalsContact C-N 3.32Å; D423-L425 PolarHBondContact O-N 3.38Å; L425-R427 PolarHBondContact O-N 2.81Å; L425-K428 PolarHBondContact O-N 3.29Å; L425-L451 HydrophobicContact CD1-CB 3.75Å; L425-L451 HydrophobicContact CD2-CB 4.45Å; L425-A452 HydrophobicContact CD2-CB 4.41Å; L425-A452 HydrophobicContact CG-CB 4.31Å; L425-Y455 HydrophobicContact CD2-CD2 4.34Å; L425-Y455 HydrophobicContact CD2-CG 4.23Å |
| 426 | D | 97.9 | Very high | 98.1 | Very high | 131 Ų | 131 | 57.9 Ų | 57.9 | 70% | 0.701 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -58.9 | -46.1 | -179.9 | -72.5 | -19.9 | 0 | 0 | 0 | 111.9 | S422 D423 K428 | S422-D426 PolarHBondContact O-N 2.91Å; D423-D426 PolarHBondContact O-N 3.42Å; D426-K428 PolarHBondContact O-N 2.96Å |
| 427 | R | 97.9 | Very high | 98.1 | Very high | 120 Ų | 120 | 57.6 Ų | 57.6 | 45% | 0.453 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -7.9 | 178 | -64.2 | -169 | -61.5 | 105.6 | -5 | 113.5 | E419 D423 L425 T429 | E419-R427 IonicContact OE1-NH2 2.76Å; E419-R427 PolarHBondContact OE1-NH2 3.46Å; E419-R427 IonicContact OE2-NH2 3.29Å; E419-R427 PolarHBondContact OE2-NH2 3.29Å; D423-R427 WeakPolarHBondContact O-CB 3.23Å; D423-R427 VanDerWaalsContact O-CG 3.32Å; D423-R427 WeakPolarHBondContact O-CG 3.46Å; D423-R427 PolarHBondContact O-N 2.99Å; D423-R427 IonicContact OD1-NE 3.51Å; D423-R427 IonicContact OD2-CZ 3.31Å; D423-R427 IonicContact OD2-NE 3.85Å; D423-R427 PolarHBondContact OD2-NE 3.31Å; D423-R427 IonicContact OD2-NH2 3.75Å; L425-R427 PolarHBondContact O-N 2.81Å; R427-T429 VanDerWaalsContact C-N 3.26Å; R427-T429 PolarHBondContact NH1-OG1 3.11Å; R427-T429 PolarHBondContact NH2-OG1 2.97Å; R427-T429 PolarHBondContact O-N 2.78Å |
| 428 | K | 97.1 | Very high | 98.1 | Very high | 152 Ų | 152 | 55.1 Ų | 55.1 | 66% | 0.661 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.4 | 53.8 | -171.2 | -62.4 | 177.4 | -179.2 | 173.4 | 0 | 110.6 | L424 L425 D426 Y455 | L424-K428 PolarHBondContact O-N 2.89Å; L425-K428 PolarHBondContact O-N 3.29Å; D426-K428 PolarHBondContact O-N 2.96Å; K428-Y455 WeakPolarHBondContact CA-OH 3.25Å; K428-Y455 PolarHBondContact O-OH 3.27Å |
| 429 | T | 98.2 | Very high | 98.1 | Very high | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | trans | -50.7 | 137.1 | -172 | -63.7 | 0 | 0 | 0 | 0 | 112.1 | L424 R427 I431 Y455 | L424-T429 PolarHBondContact O-N 2.88Å; L424-T429 VanDerWaalsContact O-N 3.09Å; L424-T429 PolarHBondContact O-OG1 2.9Å; R427-T429 VanDerWaalsContact C-N 3.26Å; R427-T429 PolarHBondContact NH1-OG1 3.11Å; R427-T429 PolarHBondContact NH2-OG1 2.97Å; R427-T429 PolarHBondContact O-N 2.78Å; T429-I431 HydrophobicContact CG2-CD1 4.47Å; T429-I431 PolarHBondContact O-N 3.3Å; T429-Y455 WeakPolarHBondContact O-CE1 3.24Å; T429-Y455 PolarHBondContact O-OH 3.31Å | ||
| 430 | P | 98.3 | Very high | 98.2 | Very high | 81 Ų | 81 | 53.2 Ų | 53.2 | 53% | 0.526 | 25% | 0.254 | S | S | . | . | trans | -64.9 | 120.6 | 175.5 | -23.6 | 34.3 | 0 | 0 | 0 | 112.7 | R388 F432 | R388-P430 PolarHBondContact NH2-O 3.41Å; P430-F432 HydrophobicContact CB-CE2 4.31Å; P430-F432 HydrophobicContact CB-CZ 4.14Å | ||
| 431 | I | 98.4 | Very high | 98.1 | Very high | 13 Ų | 13 | 49.9 Ų | 49.9 | 7% | 0.067 | 24% | 0.237 | C | C | . | . | trans | -120 | 135.8 | 176.4 | -53.4 | -65.2 | 0 | 0 | 0 | 108.8 | I390 T429 D435 Y455 C456 R459 A461 | I390-I431 HydrophobicContact CD1-CD1 3.6Å; T429-I431 HydrophobicContact CG2-CD1 4.47Å; T429-I431 PolarHBondContact O-N 3.3Å; I431-D435 HydrophobicContact CG2-CB 4.49Å; I431-Y455 HydrophobicContact CG1-CD1 4.26Å; I431-Y455 HydrophobicContact CG1-CE1 3.8Å; I431-C456 HydrophobicContact CG2-CB 4.33Å; I431-R459 HydrophobicContact CB-CB 4.08Å; I431-R459 HydrophobicContact CG2-CB 4.12Å; I431-A461 HydrophobicContact CG2-CB 3.55Å | ||
| 432 | F | 98.2 | Very high | 98.1 | Very high | 111 Ų | 111 | 50.9 Ų | 50.9 | 49% | 0.487 | 24% | 0.242 | S | C | . | . | trans | -116.4 | 166 | -177.7 | -54.9 | -75.9 | 0 | 0 | 0 | 111.6 | R388 P430 D434 D435 | R388-F432 VanDerWaalsContact NH2-CD2 3.28Å; P430-F432 HydrophobicContact CB-CE2 4.31Å; P430-F432 HydrophobicContact CB-CZ 4.14Å; F432-D434 VanDerWaalsContact C-N 3.27Å; F432-D434 VanDerWaalsContact CB-OD1 3.31Å; F432-D434 WeakPolarHBondContact CB-OD1 3.48Å; F432-D434 PolarHBondContact O-N 3.19Å; F432-D435 PolarHBondContact N-OD2 2.85Å; F432-D435 WeakPolarHBondContact O-CB 3.16Å; F432-D435 PolarHBondContact O-N 3.43Å | ||
| 433 | R | 97.8 | Very high | 98 | Very high | 216 Ų | 216 | 49 Ų | 49 | 82% | 0.815 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -22.1 | -177.3 | -69.2 | -179.8 | 175.4 | 150.3 | -2.5 | 113.9 | ||
| 434 | D | 97.6 | Very high | 97.8 | Very high | 63 Ų | 63 | 45.9 Ų | 45.9 | 34% | 0.337 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 11.9 | 178.4 | 61 | -27.6 | 0 | 0 | 0 | 113 | C386 R387 F432 | C386-D434 WeakPolarHBondContact CA-O 3.11Å; C386-D434 VanDerWaalsContact CB-O 3.27Å; C386-D434 WeakPolarHBondContact CB-O 3.49Å; R387-D434 WeakPolarHBondContact CD-OD2 3.3Å; R387-D434 HydrophobicContact CG-CB 4.48Å; R387-D434 WeakPolarHBondContact CG-OD2 3.34Å; R387-D434 PolarHBondContact N-O 3.3Å; R387-D434 IonicContact NE-OD2 3.47Å; F432-D434 VanDerWaalsContact C-N 3.27Å; F432-D434 VanDerWaalsContact CB-OD1 3.31Å; F432-D434 WeakPolarHBondContact CB-OD1 3.48Å; F432-D434 PolarHBondContact O-N 3.19Å |
| 435 | D | 98.5 | Very high | 97.5 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 141.9 | 167.7 | -69 | -35.9 | 0 | 0 | 0 | 110.7 | R388 I390 I431 F432 A461 L462 | R388-D435 WeakPolarHBondContact CB-OD1 3.36Å; R388-D435 IonicContact CZ-OD1 3.85Å; R388-D435 IonicContact CZ-OD2 3.64Å; R388-D435 IonicContact NE-OD1 2.96Å; R388-D435 PolarHBondContact NE-OD1 2.91Å; R388-D435 IonicContact NE-OD2 2.9Å; R388-D435 IonicContact NH2-OD1 3.48Å; R388-D435 PolarHBondContact NH2-OD1 3.37Å; R388-D435 IonicContact NH2-OD2 3.86Å; R388-D435 PolarHBondContact NH2-OD2 3.28Å; I390-D435 HydrophobicContact CD1-CB 4.26Å; I431-D435 HydrophobicContact CG2-CB 4.49Å; F432-D435 PolarHBondContact N-OD2 2.85Å; F432-D435 WeakPolarHBondContact O-CB 3.16Å; F432-D435 PolarHBondContact O-N 3.43Å; D435-A461 HydrophobicContact CB-CB 4.15Å; D435-L462 PolarHBondContact O-N 3.17Å |
| 436 | V | 98.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 119.5 | 160.9 | 171.6 | 0 | 0 | 0 | 0 | 107.8 | I383 C386 R388 L389 I390 V438 L462 | I383-V436 HydrophobicContact CB-CG2 4.37Å; I383-V436 HydrophobicContact CG1-CG1 4.43Å; I383-V436 HydrophobicContact CG1-CG2 4.18Å; I383-V436 HydrophobicContact CG2-CG1 4.49Å; I383-V436 HydrophobicContact CG2-CG2 4.31Å; C386-V436 HydrophobicContact CB-CB 4.35Å; C386-V436 HydrophobicContact CB-CG2 3.46Å; C386-V436 VanDerWaalsContact CB-CG2 3.46Å; R388-V436 PolarHBondContact O-N 3.06Å; L389-V436 WeakPolarHBondContact CA-O 3.41Å; L389-V436 HydrophobicContact CD2-CB 3.76Å; L389-V436 HydrophobicContact CD2-CG1 4.06Å; L389-V436 HydrophobicContact CD2-CG2 4.49Å; I390-V436 PolarHBondContact N-O 3.13Å; V436-V438 HydrophobicContact CG1-CG2 4.26Å; V436-L462 CarbonylContact C-O 3.55Å; V436-L462 WeakPolarHBondContact CA-O 3.26Å; V436-L462 HydrophobicContact CG1-CD2 4.14Å; V436-L462 HydrophobicContact CG2-CB 4.16Å; V436-L462 HydrophobicContact CG2-CD2 4.34Å |
| 437 | C | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 120.1 | 179.2 | -63.5 | 0 | 0 | 0 | 0 | 109.4 | I390 I392 F439 C456 L462 A463 L464 | I390-C437 CarbonylContact O-C 3.54Å; I390-C437 WeakPolarHBondContact O-CA 3.31Å; I392-C437 HydrophobicContact CD1-CB 4.26Å; C437-F439 HydrophobicContact CB-CE2 3.51Å; C437-F439 HydrophobicContact CB-CZ 3.48Å; C437-F439 VanDerWaalsContact CB-CZ 3.48Å; C437-F439 VanDerWaalsContact O-CE2 3.31Å; C437-F439 WeakPolarHBondContact O-CE2 3.12Å; C437-C456 HydrophobicContact CB-CB 4.2Å; C437-C456 VanDerWaalsContact SG-SG 3.67Å; C437-L462 PolarHBondContact N-O 3.17Å; C437-A463 CarbonylContact O-C 3.56Å; C437-A463 WeakPolarHBondContact O-CA 3.25Å; C437-L464 PolarHBondContact O-N 2.83Å |
| 438 | V | 98.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 115.9 | -178.6 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | I390 F391 I392 V436 I440 L464 I466 | I390-V438 PolarHBondContact O-N 3.39Å; F391-V438 CarbonylContact C-O 3.59Å; F391-V438 WeakPolarHBondContact CA-O 3.42Å; F391-V438 HydrophobicContact CD1-CB 3.55Å; F391-V438 HydrophobicContact CD1-CG1 3.64Å; F391-V438 HydrophobicContact CD1-CG2 4.12Å; F391-V438 HydrophobicContact CE1-CB 3.62Å; F391-V438 HydrophobicContact CE1-CG1 3.61Å; F391-V438 HydrophobicContact CE1-CG2 3.71Å; F391-V438 HydrophobicContact CG-CB 4.18Å; F391-V438 HydrophobicContact CZ-CB 4.31Å; F391-V438 HydrophobicContact CZ-CG2 3.96Å; I392-V438 PolarHBondContact N-O 2.9Å; V436-V438 HydrophobicContact CG1-CG2 4.26Å; V438-I440 HydrophobicContact CG1-CG1 4.28Å; V438-L464 CarbonylContact C-O 3.52Å; V438-L464 WeakPolarHBondContact CA-O 3.15Å; V438-L464 HydrophobicContact CG1-CD2 4.18Å; V438-L464 HydrophobicContact CG2-CB 4.33Å; V438-L464 HydrophobicContact CG2-CD1 4.44Å; V438-I466 HydrophobicContact CG1-CG1 3.66Å |
| 439 | F | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 113.7 | -176.9 | -59.8 | -82 | 0 | 0 | 0 | 110.1 | I392 C437 T449 A452 M453 C456 A463 L464 I466 I474 | I392-F439 HydrophobicContact CB-CD1 3.93Å; I392-F439 HydrophobicContact CB-CE1 3.99Å; I392-F439 HydrophobicContact CD1-CD1 4.2Å; I392-F439 HydrophobicContact CD1-CE1 3.39Å; I392-F439 HydrophobicContact CD1-CZ 3.77Å; I392-F439 HydrophobicContact CG1-CE1 4.25Å; I392-F439 HydrophobicContact CG2-CD1 4.16Å; I392-F439 HydrophobicContact CG2-CE1 4.18Å; I392-F439 WeakPolarHBondContact O-CA 3.41Å; C437-F439 HydrophobicContact CB-CE2 3.51Å; C437-F439 HydrophobicContact CB-CZ 3.48Å; C437-F439 VanDerWaalsContact CB-CZ 3.48Å; C437-F439 VanDerWaalsContact O-CE2 3.31Å; C437-F439 WeakPolarHBondContact O-CE2 3.12Å; F439-T449 HydrophobicContact CB-CG2 4.07Å; F439-T449 HydrophobicContact CD1-CG2 4.12Å; F439-A452 HydrophobicContact CE1-CB 4.32Å; F439-M453 HydrophobicContact CD1-CB 3.59Å; F439-M453 HydrophobicContact CD1-CG 4.21Å; F439-M453 HydrophobicContact CD2-CB 3.97Å; F439-M453 HydrophobicContact CD2-CG 3.63Å; F439-M453 HydrophobicContact CD2-SD 4.11Å; F439-M453 HydrophobicContact CE1-CB 3.52Å; F439-M453 HydrophobicContact CE1-CG 4.17Å; F439-M453 VanDerWaalsContact CE1-N 3.32Å; F439-M453 HydrophobicContact CE2-CB 3.92Å; F439-M453 HydrophobicContact CE2-CG 3.59Å; F439-M453 HydrophobicContact CG-CB 3.83Å; F439-M453 HydrophobicContact CG-CG 3.96Å; F439-M453 HydrophobicContact CG-SD 4.32Å; F439-M453 HydrophobicContact CZ-CB 3.71Å; F439-M453 HydrophobicContact CZ-CG 3.89Å; F439-C456 HydrophobicContact CZ-CB 3.84Å; F439-A463 HydrophobicContact CD2-CB 4.17Å; F439-A463 HydrophobicContact CE2-CB 3.68Å; F439-L464 PolarHBondContact N-O 3.24Å; F439-I466 PolarHBondContact O-N 2.99Å; F439-I474 HydrophobicContact CB-CG2 4.07Å |
| 440 | I | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 116.4 | -176.5 | -46.4 | 178.8 | 0 | 0 | 0 | 109.4 | F391 I392 S397 A401 V438 I466 Q501 L505 | F391-I440 HydrophobicContact CD1-CD1 4.15Å; I392-I440 PolarHBondContact O-N 3.37Å; S397-I440 WeakPolarHBondContact CB-O 3.4Å; A401-I440 HydrophobicContact CB-CD1 3.76Å; V438-I440 HydrophobicContact CG1-CG1 4.28Å; I440-I466 HydrophobicContact CG1-CB 4.36Å; I440-I466 HydrophobicContact CG2-CB 4.4Å; I440-I466 HydrophobicContact CG2-CG2 4.39Å; I440-Q501 HydrophobicContact CG2-CB 4.45Å; I440-Q501 HydrophobicContact CG2-CG 3.82Å; I440-L505 HydrophobicContact CD1-CD1 3.81Å; I440-L505 HydrophobicContact CD1-CD2 4.16Å |
| 441 | S | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 121.1 | 178.6 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | S443 G444 T446 I466 T467 | S441-S443 VanDerWaalsContact C-N 3.35Å; S441-S443 PolarHBondContact O-N 3.21Å; S441-S443 PolarHBondContact OG-OG 2.95Å; S441-G444 PolarHBondContact O-N 2.68Å; S441-G444 WeakPolarHBondContact OG-CA 3.46Å; S441-G444 PolarHBondContact OG-N 3.48Å; S441-T446 PolarHBondContact OG-OG1 2.95Å; S441-I466 PolarHBondContact N-O 3.2Å; S441-T467 VanDerWaalsContact O-CA 3.24Å; S441-T467 WeakPolarHBondContact O-CA 3.29Å |
| 442 | Q | 97.5 | Very high | 96.4 | Very high | 21 Ų | 21 | 28 Ų | 28 | 10% | 0.098 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -56.1 | -50 | 174.7 | -175.6 | -79.1 | -16.5 | 0 | 0 | 111 | N468 T469 A497 | Q442-N468 HydrophobicContact CG-CB 4.07Å; Q442-N468 CarbonylContact O-C 3.34Å; Q442-N468 WeakPolarHBondContact O-CA 3.25Å; Q442-N468 VanDerWaalsContact O-CB 3.29Å; Q442-N468 WeakPolarHBondContact O-CB 3.5Å; Q442-N468 PolarHBondContact O-N 2.76Å; Q442-N468 VanDerWaalsContact O-N 3.11Å; Q442-T469 PolarHBondContact O-N 2.82Å; Q442-T469 PolarHBondContact O-OG1 3.23Å; Q442-A497 HydrophobicContact CB-CB 4.09Å; Q442-A497 HydrophobicContact CG-CB 3.48Å; Q442-A497 VanDerWaalsContact CG-CB 3.48Å |
| 443 | S | 93.8 | Very high | 96.4 | Very high | 7 Ų | 7 | 22.7 Ų | 22.7 | 5% | 0.049 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -77.3 | -26.9 | -177.4 | 63.7 | 0 | 0 | 0 | 0 | 112.5 | S441 E445 T469 S472 S697 | S441-S443 VanDerWaalsContact C-N 3.35Å; S441-S443 PolarHBondContact O-N 3.21Å; S441-S443 PolarHBondContact OG-OG 2.95Å; S443-E445 PolarHBondContact O-N 3.25Å; S443-E445 PolarHBondContact OG-N 3.44Å; S443-T469 VanDerWaalsContact O-CB 3.28Å; S443-T469 WeakPolarHBondContact O-CB 3.39Å; S443-T469 PolarHBondContact O-OG1 2.91Å; S443-S472 WeakPolarHBondContact O-CB 3.25Å; S443-S697 VanDerWaalsContact CB-OG 3.29Å; S443-S697 WeakPolarHBondContact CB-OG 3.3Å; S443-S697 PolarHBondContact OG-OG 2.95Å |
| 444 | G | 94.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | S | Bend | trans | 68.2 | 13 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S441 S473 I474 | S441-G444 PolarHBondContact O-N 2.68Å; S441-G444 WeakPolarHBondContact OG-CA 3.46Å; S441-G444 PolarHBondContact OG-N 3.48Å; G444-S473 PolarHBondContact O-N 3.5Å; G444-I474 WeakPolarHBondContact O-CB 3.25Å; G444-I474 WeakPolarHBondContact O-CG1 3.2Å; G444-I474 PolarHBondContact O-N 2.74Å |
| 445 | E | 91.4 | Very high | 96.4 | Very high | 14 Ų | 14 | 15.1 Ų | 15.1 | 7% | 0.065 | 7% | 0.074 | C | C | . | . | trans | -130.9 | 6.5 | -174.3 | -58.3 | -63.8 | 167 | 0 | 0 | 112.7 | M1 P214 S443 A447 S472 S473 T699 | M1-E445 HydrophobicContact CE-CB 4.19Å; P214-E445 HydrophobicContact CG-CG 3.67Å; S443-E445 PolarHBondContact O-N 3.25Å; S443-E445 PolarHBondContact OG-N 3.44Å; E445-A447 PolarHBondContact O-N 3.2Å; E445-S472 WeakPolarHBondContact OE1-CA 3.4Å; E445-S472 WeakPolarHBondContact OE1-CB 3.49Å; E445-S473 VanDerWaalsContact CD-OG 3.3Å; E445-S473 PolarHBondContact OE1-N 3.17Å; E445-S473 PolarHBondContact OE1-OG 3.05Å; E445-S473 VanDerWaalsContact OE2-CB 3.23Å; E445-S473 WeakPolarHBondContact OE2-CB 3.47Å; E445-S473 PolarHBondContact OE2-OG 3.49Å; E445-T699 HydrophobicContact CB-CG2 3.83Å; E445-T699 WeakPolarHBondContact O-CB 3.41Å; E445-T699 WeakPolarHBondContact O-CG2 3.06Å | ||
| 446 | T | 93.3 | Very high | 96.3 | Very high | 22 Ų | 22 | 15 Ų | 15 | 14% | 0.135 | 7% | 0.073 | C | C | . | . | trans | -59.4 | 120.4 | 177 | -49.1 | 0 | 0 | 0 | 0 | 110.5 | C394 S441 D448 T449 L450 V698 | C394-T446 HydrophobicContact CB-CG2 4.26Å; S441-T446 PolarHBondContact OG-OG1 2.95Å; T446-D448 PolarHBondContact O-N 3.11Å; T446-T449 PolarHBondContact O-N 2.86Å; T446-L450 WeakPolarHBondContact O-CB 3.45Å; T446-L450 PolarHBondContact O-N 3.28Å; T446-V698 VanDerWaalsContact CA-O 3.27Å; T446-V698 WeakPolarHBondContact CA-O 3.45Å | ||
| 447 | A | 89.9 | Confident | 96.3 | Very high | 13 Ų | 13 | 17.3 Ų | 17.3 | 11% | 0.107 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -55.8 | -56.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E445 T449 L450 L451 V698 | E445-A447 PolarHBondContact O-N 3.2Å; A447-T449 VanDerWaalsContact C-N 3.3Å; A447-T449 PolarHBondContact O-N 2.96Å; A447-L450 PolarHBondContact O-N 3.26Å; A447-L450 VanDerWaalsContact O-N 3.13Å; A447-L451 WeakPolarHBondContact O-CG 3.02Å; A447-L451 PolarHBondContact O-N 2.95Å; A447-V698 PolarHBondContact N-O 3.29Å |
| 448 | D | 95.2 | Very high | 96.2 | Very high | 47 Ų | 47 | 26.1 Ų | 26.1 | 25% | 0.251 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -57.9 | -41.3 | 179.3 | -67.3 | -40.1 | 0 | 0 | 0 | 112.6 | A421 T446 L451 A452 | A421-D448 HydrophobicContact CB-CB 3.73Å; T446-D448 PolarHBondContact O-N 3.11Å; D448-L451 PolarHBondContact O-N 3.2Å; D448-A452 WeakPolarHBondContact O-CB 3.47Å; D448-A452 PolarHBondContact O-N 3.42Å |
| 449 | T | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.3 | -39.9 | 179.4 | -51.6 | 0 | 0 | 0 | 0 | 111.3 | F439 T446 A447 M453 I474 | F439-T449 HydrophobicContact CB-CG2 4.07Å; F439-T449 HydrophobicContact CD1-CG2 4.12Å; T446-T449 PolarHBondContact O-N 2.86Å; A447-T449 VanDerWaalsContact C-N 3.3Å; A447-T449 PolarHBondContact O-N 2.96Å; T449-M453 WeakPolarHBondContact O-CB 3.26Å; T449-M453 PolarHBondContact O-N 3.25Å; T449-I474 HydrophobicContact CG2-CD1 3.7Å |
| 450 | L | 94.7 | Very high | 96.1 | Very high | 10 Ų | 10 | 32.4 Ų | 32.4 | 5% | 0.052 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.1 | -44.1 | 175.9 | 179.9 | 61.1 | 0 | 0 | 0 | 111.4 | T446 A447 M453 R454 I474 | T446-L450 WeakPolarHBondContact O-CB 3.45Å; T446-L450 PolarHBondContact O-N 3.28Å; A447-L450 PolarHBondContact O-N 3.26Å; A447-L450 VanDerWaalsContact O-N 3.13Å; L450-M453 HydrophobicContact CD1-CE 3.64Å; L450-M453 WeakPolarHBondContact O-CB 3.21Å; L450-M453 PolarHBondContact O-N 3.11Å; L450-R454 WeakPolarHBondContact O-CG 3.4Å; L450-R454 PolarHBondContact O-N 3.47Å; L450-I474 HydrophobicContact CB-CG1 4.36Å; L450-I474 HydrophobicContact CD1-CG1 4.07Å |
| 451 | L | 94.3 | Very high | 96.1 | Very high | 56 Ų | 56 | 32.6 Ų | 32.6 | 29% | 0.293 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -65 | -42.8 | 176.5 | -70 | 172.2 | 0 | 0 | 0 | 111.9 | L425 A447 D448 M453 R454 Y455 E701 | L425-L451 HydrophobicContact CD1-CB 3.75Å; L425-L451 HydrophobicContact CD2-CB 4.45Å; A447-L451 WeakPolarHBondContact O-CG 3.02Å; A447-L451 PolarHBondContact O-N 2.95Å; D448-L451 PolarHBondContact O-N 3.2Å; L451-M453 VanDerWaalsContact C-N 3.27Å; L451-M453 PolarHBondContact O-N 3.13Å; L451-R454 PolarHBondContact O-N 3.29Å; L451-Y455 VanDerWaalsContact O-CB 3.3Å; L451-Y455 WeakPolarHBondContact O-CB 3.39Å; L451-Y455 PolarHBondContact O-N 3.26Å; L451-E701 HydrophobicContact CD1-CG 4.34Å; L451-E701 WeakPolarHBondContact CD1-OE1 3.22Å |
| 452 | A | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.9 | -38.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I392 A421 L424 L425 F439 D448 Y455 C456 | I392-A452 HydrophobicContact CG2-CB 3.86Å; A421-A452 HydrophobicContact CB-CB 4.23Å; L424-A452 HydrophobicContact CD2-CB 4.12Å; L425-A452 HydrophobicContact CD2-CB 4.41Å; L425-A452 HydrophobicContact CG-CB 4.31Å; F439-A452 HydrophobicContact CE1-CB 4.32Å; D448-A452 WeakPolarHBondContact O-CB 3.47Å; D448-A452 PolarHBondContact O-N 3.42Å; A452-Y455 WeakPolarHBondContact O-CB 3.28Å; A452-Y455 PolarHBondContact O-N 3.48Å; A452-C456 PolarHBondContact O-N 3.35Å; A452-C456 PolarHBondContact O-SG 3.46Å |
| 453 | M | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.9 | -49.6 | 175.4 | -175.7 | -176 | 74.8 | 0 | 0 | 112.6 | F439 T449 L450 L451 Y455 C456 I457 A463 I474 E477 | F439-M453 HydrophobicContact CD1-CB 3.59Å; F439-M453 HydrophobicContact CD1-CG 4.21Å; F439-M453 HydrophobicContact CD2-CB 3.97Å; F439-M453 HydrophobicContact CD2-CG 3.63Å; F439-M453 HydrophobicContact CD2-SD 4.11Å; F439-M453 HydrophobicContact CE1-CB 3.52Å; F439-M453 HydrophobicContact CE1-CG 4.17Å; F439-M453 VanDerWaalsContact CE1-N 3.32Å; F439-M453 HydrophobicContact CE2-CB 3.92Å; F439-M453 HydrophobicContact CE2-CG 3.59Å; F439-M453 HydrophobicContact CG-CB 3.83Å; F439-M453 HydrophobicContact CG-CG 3.96Å; F439-M453 HydrophobicContact CG-SD 4.32Å; F439-M453 HydrophobicContact CZ-CB 3.71Å; F439-M453 HydrophobicContact CZ-CG 3.89Å; T449-M453 WeakPolarHBondContact O-CB 3.26Å; T449-M453 PolarHBondContact O-N 3.25Å; L450-M453 HydrophobicContact CD1-CE 3.64Å; L450-M453 WeakPolarHBondContact O-CB 3.21Å; L450-M453 PolarHBondContact O-N 3.11Å; L451-M453 VanDerWaalsContact C-N 3.27Å; L451-M453 PolarHBondContact O-N 3.13Å; M453-Y455 PolarHBondContact O-N 3.38Å; M453-C456 PolarHBondContact O-N 3.33Å; M453-C456 VanDerWaalsContact O-N 3.15Å; M453-I457 HydrophobicContact CE-CD1 4.47Å; M453-I457 HydrophobicContact CG-CD1 3.85Å; M453-I457 HydrophobicContact CG-CG1 4.4Å; M453-I457 WeakPolarHBondContact O-CG1 3.28Å; M453-I457 PolarHBondContact O-N 2.8Å; M453-A463 HydrophobicContact CG-CB 4.16Å; M453-I474 HydrophobicContact CE-CG1 4.44Å; M453-I474 HydrophobicContact SD-CB 4.38Å; M453-I474 HydrophobicContact SD-CG1 4.38Å; M453-I474 HydrophobicContact SD-CG2 4.04Å; M453-E477 HydrophobicContact CE-CB 3.32Å; M453-E477 HydrophobicContact CE-CG 4.32Å |
| 454 | R | 96.7 | Very high | 96.4 | Very high | 87 Ų | 87 | 32.5 Ų | 32.5 | 33% | 0.328 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -59 | -38.6 | 174.9 | -69.6 | 170.6 | 175.2 | -179.7 | -4.2 | 111.3 | D300 L450 L451 K458 E477 | D300-R454 IonicContact OD2-NH2 3.1Å; L450-R454 WeakPolarHBondContact O-CG 3.4Å; L450-R454 PolarHBondContact O-N 3.47Å; L451-R454 PolarHBondContact O-N 3.29Å; R454-K458 WeakPolarHBondContact O-CB 2.89Å; R454-K458 PolarHBondContact O-N 3.12Å; R454-E477 WeakPolarHBondContact CG-OE2 3.43Å; R454-E477 IonicContact CZ-OE1 2.71Å; R454-E477 IonicContact CZ-OE2 2.88Å; R454-E477 IonicContact NE-OE1 2.76Å; R454-E477 PolarHBondContact NE-OE1 3.31Å; R454-E477 IonicContact NE-OE2 2.56Å; R454-E477 PolarHBondContact NE-OE2 3.07Å; R454-E477 IonicContact NH2-OE1 3.06Å; R454-E477 PolarHBondContact NH2-OE1 3.28Å; R454-E477 IonicContact NH2-OE2 2.77Å |
| 455 | Y | 98.1 | Very high | 96.6 | Very high | 34 Ų | 34 | 32.6 Ų | 32.6 | 13% | 0.133 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 175 | 174.7 | -84.4 | 0 | 0 | 0 | 113.1 | L424 L425 K428 T429 I431 L451 A452 M453 R459 | L424-Y455 HydrophobicContact CD2-CD1 4.13Å; L424-Y455 HydrophobicContact CD2-CE1 4.32Å; L425-Y455 HydrophobicContact CD2-CD2 4.34Å; L425-Y455 HydrophobicContact CD2-CG 4.23Å; K428-Y455 WeakPolarHBondContact CA-OH 3.25Å; K428-Y455 PolarHBondContact O-OH 3.27Å; T429-Y455 WeakPolarHBondContact O-CE1 3.24Å; T429-Y455 PolarHBondContact O-OH 3.31Å; I431-Y455 HydrophobicContact CG1-CD1 4.26Å; I431-Y455 HydrophobicContact CG1-CE1 3.8Å; L451-Y455 VanDerWaalsContact O-CB 3.3Å; L451-Y455 WeakPolarHBondContact O-CB 3.39Å; L451-Y455 PolarHBondContact O-N 3.26Å; A452-Y455 WeakPolarHBondContact O-CB 3.28Å; A452-Y455 PolarHBondContact O-N 3.48Å; M453-Y455 PolarHBondContact O-N 3.38Å; Y455-R459 PolarHBondContact O-NH1 3Å; Y455-R459 VanDerWaalsContact O-NH1 3.13Å; Y455-R459 PolarHBondContact OH-NE 2.68Å; Y455-R459 PolarHBondContact OH-NH2 2.93Å |
| 456 | C | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71.2 | -44.7 | 177.2 | -71.2 | 0 | 0 | 0 | 0 | 112.4 | I431 C437 F439 A452 M453 K458 R459 G460 A461 | I431-C456 HydrophobicContact CG2-CB 4.33Å; C437-C456 HydrophobicContact CB-CB 4.2Å; C437-C456 VanDerWaalsContact SG-SG 3.67Å; F439-C456 HydrophobicContact CZ-CB 3.84Å; A452-C456 PolarHBondContact O-N 3.35Å; A452-C456 PolarHBondContact O-SG 3.46Å; M453-C456 PolarHBondContact O-N 3.33Å; M453-C456 VanDerWaalsContact O-N 3.15Å; C456-K458 VanDerWaalsContact C-N 3.32Å; C456-K458 PolarHBondContact O-N 3.4Å; C456-R459 PolarHBondContact O-N 3.33Å; C456-G460 PolarHBondContact O-N 3.29Å; C456-A461 HydrophobicContact CB-CB 4.42Å; C456-A461 PolarHBondContact O-N 2.74Å |
| 457 | I | 97.9 | Very high | 97.2 | Very high | 52 Ų | 52 | 31.1 Ų | 31.1 | 27% | 0.267 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -58.9 | -44.4 | 176.9 | -69.8 | 172.2 | 0 | 0 | 0 | 110.3 | M453 R459 G460 A463 E477 | M453-I457 HydrophobicContact CE-CD1 4.47Å; M453-I457 HydrophobicContact CG-CD1 3.85Å; M453-I457 HydrophobicContact CG-CG1 4.4Å; M453-I457 WeakPolarHBondContact O-CG1 3.28Å; M453-I457 PolarHBondContact O-N 2.8Å; I457-R459 PolarHBondContact O-N 2.95Å; I457-R459 VanDerWaalsContact O-N 3.09Å; I457-G460 WeakPolarHBondContact O-CA 3.48Å; I457-G460 PolarHBondContact O-N 2.99Å; I457-A463 HydrophobicContact CD1-CB 3.89Å; I457-A463 HydrophobicContact CG1-CB 3.65Å; I457-E477 WeakPolarHBondContact CD1-O 3.3Å |
| 458 | K | 97.6 | Very high | 97.5 | Very high | 184 Ų | 184 | 31 Ų | 31 | 80% | 0.8 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -24.5 | 176.6 | -174.3 | 174.2 | -180 | 176.2 | 0 | 113.4 | R454 C456 | R454-K458 WeakPolarHBondContact O-CB 2.89Å; R454-K458 PolarHBondContact O-N 3.12Å; C456-K458 VanDerWaalsContact C-N 3.32Å; C456-K458 PolarHBondContact O-N 3.4Å |
| 459 | R | 98.1 | Very high | 97.3 | Very high | 94 Ų | 94 | 31 Ų | 31 | 36% | 0.355 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -0.8 | 176.2 | -72.9 | 173.3 | 174.3 | 68.5 | 0.2 | 113.7 | I431 Y455 C456 I457 | I431-R459 HydrophobicContact CB-CB 4.08Å; I431-R459 HydrophobicContact CG2-CB 4.12Å; Y455-R459 PolarHBondContact O-NH1 3Å; Y455-R459 VanDerWaalsContact O-NH1 3.13Å; Y455-R459 PolarHBondContact OH-NE 2.68Å; Y455-R459 PolarHBondContact OH-NH2 2.93Å; C456-R459 PolarHBondContact O-N 3.33Å; I457-R459 PolarHBondContact O-N 2.95Å; I457-R459 VanDerWaalsContact O-N 3.09Å |
| 460 | G | 97.5 | Very high | 96.8 | Very high | 40 Ų | 40 | 35.8 Ų | 35.8 | 41% | 0.412 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 15.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.6 | C456 I457 | C456-G460 PolarHBondContact O-N 3.29Å; I457-G460 WeakPolarHBondContact O-CA 3.48Å; I457-G460 PolarHBondContact O-N 2.99Å |
| 461 | A | 98.2 | Very high | 96.3 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 3% | 0.025 | 19% | 0.188 | C | C | . | . | trans | -72.7 | 151.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I431 D435 C456 A463 H479 | I431-A461 HydrophobicContact CG2-CB 3.55Å; D435-A461 HydrophobicContact CB-CB 4.15Å; C456-A461 HydrophobicContact CB-CB 4.42Å; C456-A461 PolarHBondContact O-N 2.74Å; A461-A463 PolarHBondContact O-N 2.93Å; A461-H479 PolarHBondContact O-CE1 3.04Å | ||
| 462 | L | 98.5 | Very high | 96 | Very high | 27 Ų | 27 | 33.6 Ų | 33.6 | 14% | 0.141 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 107.8 | 172.8 | -171.8 | 155.5 | 0 | 0 | 0 | 109.3 | H379 A382 I383 D435 V436 C437 | H379-L462 HydrophobicContact CB-CD1 4.38Å; A382-L462 HydrophobicContact CB-CD1 3.74Å; I383-L462 HydrophobicContact CD1-CD2 4.42Å; I383-L462 HydrophobicContact CG1-CD1 4.3Å; I383-L462 HydrophobicContact CG1-CD2 4.01Å; D435-L462 PolarHBondContact O-N 3.17Å; V436-L462 CarbonylContact C-O 3.55Å; V436-L462 WeakPolarHBondContact CA-O 3.26Å; V436-L462 HydrophobicContact CG1-CD2 4.14Å; V436-L462 HydrophobicContact CG2-CB 4.16Å; V436-L462 HydrophobicContact CG2-CD2 4.34Å; C437-L462 PolarHBondContact N-O 3.17Å |
| 463 | A | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 128.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | C437 F439 M453 I457 A461 H479 | C437-A463 CarbonylContact O-C 3.56Å; C437-A463 WeakPolarHBondContact O-CA 3.25Å; F439-A463 HydrophobicContact CD2-CB 4.17Å; F439-A463 HydrophobicContact CE2-CB 3.68Å; M453-A463 HydrophobicContact CG-CB 4.16Å; I457-A463 HydrophobicContact CD1-CB 3.89Å; I457-A463 HydrophobicContact CG1-CB 3.65Å; A461-A463 PolarHBondContact O-N 2.93Å; A463-H479 PolarHBondContact N-ND1 2.63Å; A463-H479 PolarHBondContact O-N 3.48Å; A463-H479 PolarHBondContact O-ND1 2.97Å |
| 464 | L | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 121.6 | 175.5 | -171.1 | 170.2 | 0 | 0 | 0 | 109.9 | L376 I383 C437 V438 F439 I466 C480 F508 | L376-L464 HydrophobicContact CD1-CD1 4.11Å; L376-L464 HydrophobicContact CD2-CD1 3.56Å; L376-L464 HydrophobicContact CD2-CD2 4.19Å; L376-L464 HydrophobicContact CD2-CG 3.73Å; I383-L464 HydrophobicContact CD1-CD1 4.03Å; C437-L464 PolarHBondContact O-N 2.83Å; V438-L464 CarbonylContact C-O 3.52Å; V438-L464 WeakPolarHBondContact CA-O 3.15Å; V438-L464 HydrophobicContact CG1-CD2 4.18Å; V438-L464 HydrophobicContact CG2-CB 4.33Å; V438-L464 HydrophobicContact CG2-CD1 4.44Å; F439-L464 PolarHBondContact N-O 3.24Å; L464-I466 HydrophobicContact CD2-CD1 3.42Å; L464-I466 VanDerWaalsContact CD2-CD1 3.42Å; L464-I466 HydrophobicContact CD2-CG1 3.86Å; L464-C480 CarbonylContact C-O 3.58Å; L464-C480 VanDerWaalsContact CA-O 3.25Å; L464-C480 WeakPolarHBondContact CA-O 3.18Å; L464-F508 HydrophobicContact CD1-CD2 4.36Å; L464-F508 HydrophobicContact CD1-CE2 3.74Å; L464-F508 HydrophobicContact CD1-CZ 4.23Å |
| 465 | G | 98.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 125.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | C480 G481 V482 | G465-C480 PolarHBondContact N-O 2.91Å; G465-G481 CarbonylContact O-C 3.57Å; G465-G481 WeakPolarHBondContact O-CA 3.37Å; G465-V482 PolarHBondContact O-N 2.99Å |
| 466 | I | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 102.3 | 167.7 | -54.6 | -64.8 | 0 | 0 | 0 | 108 | V438 F439 I440 S441 L464 V482 I484 A504 L505 | V438-I466 HydrophobicContact CG1-CG1 3.66Å; F439-I466 PolarHBondContact O-N 2.99Å; I440-I466 HydrophobicContact CG1-CB 4.36Å; I440-I466 HydrophobicContact CG2-CB 4.4Å; I440-I466 HydrophobicContact CG2-CG2 4.39Å; S441-I466 PolarHBondContact N-O 3.2Å; L464-I466 HydrophobicContact CD2-CD1 3.42Å; L464-I466 VanDerWaalsContact CD2-CD1 3.42Å; L464-I466 HydrophobicContact CD2-CG1 3.86Å; I466-V482 WeakPolarHBondContact CA-O 3.23Å; I466-V482 HydrophobicContact CD1-CB 3.63Å; I466-V482 HydrophobicContact CD1-CG2 3.76Å; I466-I484 HydrophobicContact CG2-CG2 3.54Å; I466-A504 HydrophobicContact CG2-CB 4.26Å; I466-L505 HydrophobicContact CG1-CD2 4.48Å |
| 467 | T | 98.2 | Very high | 94.7 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 159.1 | -168.4 | 64.6 | 0 | 0 | 0 | 0 | 114 | S441 I474 V482 H483 I484 | S441-T467 VanDerWaalsContact O-CA 3.24Å; S441-T467 WeakPolarHBondContact O-CA 3.29Å; T467-I474 HydrophobicContact CG2-CB 4.1Å; T467-I474 HydrophobicContact CG2-CG2 3.67Å; T467-V482 PolarHBondContact N-O 3.27Å; T467-V482 VanDerWaalsContact N-O 3.07Å; T467-H483 CarbonylContact O-C 3.59Å; T467-H483 VanDerWaalsContact O-CA 3.25Å; T467-H483 WeakPolarHBondContact O-CA 3.3Å; T467-H483 PolarHBondContact O-ND1 3.28Å; T467-I484 PolarHBondContact O-N 3.48Å |
| 468 | N | 96.8 | Very high | 94.6 | Very high | 10 Ų | 10 | 35.1 Ų | 35.1 | 5% | 0.053 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -112.1 | 5.7 | 174.2 | -161.6 | 47.5 | 0 | 0 | 0 | 113.6 | Q442 H483 I484 A486 G487 | Q442-N468 HydrophobicContact CG-CB 4.07Å; Q442-N468 CarbonylContact O-C 3.34Å; Q442-N468 WeakPolarHBondContact O-CA 3.25Å; Q442-N468 VanDerWaalsContact O-CB 3.29Å; Q442-N468 WeakPolarHBondContact O-CB 3.5Å; Q442-N468 PolarHBondContact O-N 2.76Å; Q442-N468 VanDerWaalsContact O-N 3.11Å; N468-H483 VanDerWaalsContact C-CE1 3.45Å; N468-H483 PolarHBondContact O-CE1 3.42Å; N468-H483 VanDerWaalsContact O-CE1 3.24Å; N468-I484 HydrophobicContact CB-CD1 3.67Å; N468-I484 HydrophobicContact CB-CG1 3.63Å; N468-I484 WeakPolarHBondContact OD1-CG1 3.17Å; N468-A486 PolarHBondContact OD1-N 3.42Å; N468-G487 PolarHBondContact ND2-O 3.25Å |
| 469 | T | 91.3 | Very high | 94.7 | Very high | 48 Ų | 48 | 30.8 Ų | 30.8 | 29% | 0.294 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -124.7 | 112.6 | -179.9 | -55.6 | 0 | 0 | 0 | 0 | 109.4 | Q442 S443 S472 | Q442-T469 PolarHBondContact O-N 2.82Å; Q442-T469 PolarHBondContact O-OG1 3.23Å; S443-T469 VanDerWaalsContact O-CB 3.28Å; S443-T469 WeakPolarHBondContact O-CB 3.39Å; S443-T469 PolarHBondContact O-OG1 2.91Å; T469-S472 WeakPolarHBondContact O-CB 3.41Å; T469-S472 PolarHBondContact O-N 3.18Å; T469-S472 PolarHBondContact O-OG 3.4Å |
| 470 | V | 87.4 | Confident | 94.7 | Very high | 100 Ų | 100 | 26.8 Ų | 26.8 | 61% | 0.606 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 134.8 | 176.1 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | S472 | V470-S472 VanDerWaalsContact C-N 3.26Å; V470-S472 PolarHBondContact O-N 2.91Å |
| 471 | G | 82.9 | Confident | 94.7 | Very high | 20 Ų | 20 | 25.9 Ų | 25.9 | 21% | 0.206 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 25.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S475 R476 | G471-S475 PolarHBondContact N-OG 2.84Å; G471-R476 PolarHBondContact O-NH1 2.65Å |
| 472 | S | 89.2 | Confident | 94.7 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.007 | 15% | 0.148 | C | C | . | . | trans | -77.5 | 159 | 166.2 | 57 | 0 | 0 | 0 | 0 | 111.4 | S443 E445 T469 V470 I474 S475 R476 | S443-S472 WeakPolarHBondContact O-CB 3.25Å; E445-S472 WeakPolarHBondContact OE1-CA 3.4Å; E445-S472 WeakPolarHBondContact OE1-CB 3.49Å; T469-S472 WeakPolarHBondContact O-CB 3.41Å; T469-S472 PolarHBondContact O-N 3.18Å; T469-S472 PolarHBondContact O-OG 3.4Å; V470-S472 VanDerWaalsContact C-N 3.26Å; V470-S472 PolarHBondContact O-N 2.91Å; S472-I474 VanDerWaalsContact C-N 3.35Å; S472-I474 PolarHBondContact O-N 2.78Å; S472-S475 PolarHBondContact N-OG 3.24Å; S472-S475 PolarHBondContact O-N 3.26Å; S472-S475 PolarHBondContact O-OG 2.71Å; S472-S475 WeakPolarHBondContact OG-CB 3.29Å; S472-S475 PolarHBondContact OG-N 3.41Å; S472-S475 PolarHBondContact OG-OG 2.91Å; S472-R476 PolarHBondContact O-N 3.36Å | ||
| 473 | S | 89 | Confident | 94.6 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.2 | -45.7 | 179.9 | -54.4 | 0 | 0 | 0 | 0 | 112.1 | G444 E445 S475 R476 E477 | G444-S473 PolarHBondContact O-N 3.5Å; E445-S473 VanDerWaalsContact CD-OG 3.3Å; E445-S473 PolarHBondContact OE1-N 3.17Å; E445-S473 PolarHBondContact OE1-OG 3.05Å; E445-S473 VanDerWaalsContact OE2-CB 3.23Å; E445-S473 WeakPolarHBondContact OE2-CB 3.47Å; E445-S473 PolarHBondContact OE2-OG 3.49Å; S473-S475 VanDerWaalsContact C-N 3.34Å; S473-S475 PolarHBondContact O-N 3.31Å; S473-R476 PolarHBondContact O-N 3.32Å; S473-R476 PolarHBondContact OG-NH2 3.49Å; S473-E477 WeakPolarHBondContact O-CB 3.42Å; S473-E477 PolarHBondContact O-N 2.93Å |
| 474 | I | 95 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.7 | -42.2 | 174.9 | -69.1 | 172.1 | 0 | 0 | 0 | 111.4 | F439 G444 T449 L450 M453 T467 S472 R476 S478 | F439-I474 HydrophobicContact CB-CG2 4.07Å; G444-I474 WeakPolarHBondContact O-CB 3.25Å; G444-I474 WeakPolarHBondContact O-CG1 3.2Å; G444-I474 PolarHBondContact O-N 2.74Å; T449-I474 HydrophobicContact CG2-CD1 3.7Å; L450-I474 HydrophobicContact CB-CG1 4.36Å; L450-I474 HydrophobicContact CD1-CG1 4.07Å; M453-I474 HydrophobicContact CE-CG1 4.44Å; M453-I474 HydrophobicContact SD-CB 4.38Å; M453-I474 HydrophobicContact SD-CG1 4.38Å; M453-I474 HydrophobicContact SD-CG2 4.04Å; T467-I474 HydrophobicContact CG2-CB 4.1Å; T467-I474 HydrophobicContact CG2-CG2 3.67Å; S472-I474 VanDerWaalsContact C-N 3.35Å; S472-I474 PolarHBondContact O-N 2.78Å; I474-R476 PolarHBondContact O-N 3.02Å; I474-S478 WeakPolarHBondContact O-CB 3.46Å; I474-S478 PolarHBondContact O-N 3.28Å; I474-S478 VanDerWaalsContact O-N 3.09Å; I474-S478 PolarHBondContact O-OG 3.48Å; I474-S478 VanDerWaalsContact O-OG 3.05Å |
| 475 | S | 94.3 | Very high | 94.5 | Very high | 37 Ų | 37 | 30.2 Ų | 30.2 | 26% | 0.259 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -67.1 | -33.6 | 180 | 72 | 0 | 0 | 0 | 0 | 113.6 | G471 S472 S473 S478 | G471-S475 PolarHBondContact N-OG 2.84Å; S472-S475 PolarHBondContact N-OG 3.24Å; S472-S475 PolarHBondContact O-N 3.26Å; S472-S475 PolarHBondContact O-OG 2.71Å; S472-S475 WeakPolarHBondContact OG-CB 3.29Å; S472-S475 PolarHBondContact OG-N 3.41Å; S472-S475 PolarHBondContact OG-OG 2.91Å; S473-S475 VanDerWaalsContact C-N 3.34Å; S473-S475 PolarHBondContact O-N 3.31Å; S475-S478 PolarHBondContact O-OG 3.34Å |
| 476 | R | 90.3 | Very high | 94.4 | Very high | 88 Ų | 88 | 30.4 Ų | 30.4 | 33% | 0.332 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -79.4 | -41.3 | 179.7 | -74.3 | -167.2 | -61.7 | -90.4 | -19.9 | 113.1 | G471 S472 S473 I474 | G471-R476 PolarHBondContact O-NH1 2.65Å; S472-R476 PolarHBondContact O-N 3.36Å; S473-R476 PolarHBondContact O-N 3.32Å; S473-R476 PolarHBondContact OG-NH2 3.49Å; I474-R476 PolarHBondContact O-N 3.02Å |
| 477 | E | 92.5 | Very high | 94.2 | Very high | 65 Ų | 65 | 31 Ų | 31 | 30% | 0.304 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -85.8 | -17.6 | -174.6 | -70.5 | 178.3 | -139.4 | 0 | 0 | 112.8 | M453 R454 I457 S473 | M453-E477 HydrophobicContact CE-CB 3.32Å; M453-E477 HydrophobicContact CE-CG 4.32Å; R454-E477 WeakPolarHBondContact CG-OE2 3.43Å; R454-E477 IonicContact CZ-OE1 2.71Å; R454-E477 IonicContact CZ-OE2 2.88Å; R454-E477 IonicContact NE-OE1 2.76Å; R454-E477 PolarHBondContact NE-OE1 3.31Å; R454-E477 IonicContact NE-OE2 2.56Å; R454-E477 PolarHBondContact NE-OE2 3.07Å; R454-E477 IonicContact NH2-OE1 3.06Å; R454-E477 PolarHBondContact NH2-OE1 3.28Å; R454-E477 IonicContact NH2-OE2 2.77Å; I457-E477 WeakPolarHBondContact CD1-O 3.3Å; S473-E477 WeakPolarHBondContact O-CB 3.42Å; S473-E477 PolarHBondContact O-N 2.93Å |
| 478 | S | 96.7 | Very high | 94 | Very high | 13 Ų | 13 | 32.1 Ų | 32.1 | 9% | 0.091 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -68 | 145.8 | 170.3 | 64.6 | 0 | 0 | 0 | 0 | 111.6 | I474 S475 C480 | I474-S478 WeakPolarHBondContact O-CB 3.46Å; I474-S478 PolarHBondContact O-N 3.28Å; I474-S478 VanDerWaalsContact O-N 3.09Å; I474-S478 PolarHBondContact O-OG 3.48Å; I474-S478 VanDerWaalsContact O-OG 3.05Å; S475-S478 PolarHBondContact O-OG 3.34Å; S478-C480 VanDerWaalsContact C-N 3.3Å; S478-C480 WeakPolarHBondContact CB-O 3.44Å; S478-C480 PolarHBondContact O-N 2.92Å; S478-C480 PolarHBondContact OG-O 3.2Å |
| 479 | H | 97.9 | Very high | 93.9 | Very high | 94 Ų | 94 | 31.9 Ų | 31.9 | 44% | 0.435 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -67.9 | -33.7 | 177.1 | -53.7 | 98.6 | 0 | 0 | 0 | 112.1 | H379 A461 A463 | H379-H479 PolarHBondContact NE2-O 2.83Å; A461-H479 PolarHBondContact O-CE1 3.04Å; A463-H479 PolarHBondContact N-ND1 2.63Å; A463-H479 PolarHBondContact O-N 3.48Å; A463-H479 PolarHBondContact O-ND1 2.97Å |
| 480 | C | 97.9 | Very high | 94 | Very high | 9 Ų | 9 | 30.1 Ų | 30.1 | 6% | 0.061 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 167.4 | 178.6 | 63.9 | 0 | 0 | 0 | 0 | 110 | G375 L376 H379 L464 G465 S478 | G375-C480 WeakPolarHBondContact O-CB 3.15Å; L376-C480 HydrophobicContact CD2-CB 4.12Å; H379-C480 HydrophobicContact CB-CB 4.18Å; L464-C480 CarbonylContact C-O 3.58Å; L464-C480 VanDerWaalsContact CA-O 3.25Å; L464-C480 WeakPolarHBondContact CA-O 3.18Å; G465-C480 PolarHBondContact N-O 2.91Å; S478-C480 VanDerWaalsContact C-N 3.3Å; S478-C480 WeakPolarHBondContact CB-O 3.44Å; S478-C480 PolarHBondContact O-N 2.92Å; S478-C480 PolarHBondContact OG-O 3.2Å |
| 481 | G | 97.7 | Very high | 94.3 | Very high | 21 Ų | 21 | 25.3 Ų | 25.3 | 22% | 0.216 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | 172.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116 | G375 G465 | G375-G481 CarbonylContact C-O 3.53Å; G375-G481 WeakPolarHBondContact CA-O 3.23Å; G375-G481 PolarHBondContact O-N 2.84Å; G465-G481 CarbonylContact O-C 3.57Å; G465-G481 WeakPolarHBondContact O-CA 3.37Å |
| 482 | V | 98.3 | Very high | 94.8 | Very high | 8 Ų | 8 | 25 Ų | 25 | 5% | 0.048 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 116.2 | 174.9 | -174.4 | 0 | 0 | 0 | 0 | 108.4 | L373 L376 G465 I466 T467 I484 A504 | L373-V482 HydrophobicContact CD1-CG2 4.17Å; L373-V482 HydrophobicContact CD2-CG1 4.26Å; L373-V482 HydrophobicContact CD2-CG2 4.48Å; L376-V482 HydrophobicContact CD1-CG2 4.12Å; L376-V482 HydrophobicContact CD2-CG2 4.15Å; L376-V482 HydrophobicContact CG-CG2 4.07Å; G465-V482 PolarHBondContact O-N 2.99Å; I466-V482 WeakPolarHBondContact CA-O 3.23Å; I466-V482 HydrophobicContact CD1-CB 3.63Å; I466-V482 HydrophobicContact CD1-CG2 3.76Å; T467-V482 PolarHBondContact N-O 3.27Å; T467-V482 VanDerWaalsContact N-O 3.07Å; V482-I484 PolarHBondContact O-N 2.99Å; V482-A504 HydrophobicContact CG1-CB 4.4Å |
| 483 | H | 97.6 | Very high | 95.1 | Very high | 57 Ų | 57 | 25 Ų | 25 | 26% | 0.264 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 117.4 | 167.2 | 177.4 | 55.8 | 0 | 0 | 0 | 109.3 | R363 T467 N468 N485 | R363-H483 VanDerWaalsContact CZ-O 3.24Å; R363-H483 PolarHBondContact NH1-O 3.21Å; R363-H483 PolarHBondContact NH2-O 2.85Å; T467-H483 CarbonylContact O-C 3.59Å; T467-H483 VanDerWaalsContact O-CA 3.25Å; T467-H483 WeakPolarHBondContact O-CA 3.3Å; T467-H483 PolarHBondContact O-ND1 3.28Å; N468-H483 VanDerWaalsContact C-CE1 3.45Å; N468-H483 PolarHBondContact O-CE1 3.42Å; N468-H483 VanDerWaalsContact O-CE1 3.24Å; H483-N485 WeakPolarHBondContact NE2-CA 3.32Å; H483-N485 PolarHBondContact O-N 3.33Å |
| 484 | I | 98.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | trans | -68.7 | -18.7 | -174.1 | 72.9 | 178.2 | 0 | 0 | 0 | 112.9 | T359 I466 T467 N468 V482 A486 A497 Q501 A504 | T359-I484 VanDerWaalsContact CA-O 3.25Å; T359-I484 WeakPolarHBondContact CA-O 3.43Å; T359-I484 VanDerWaalsContact CB-O 3.25Å; T359-I484 WeakPolarHBondContact CB-O 3.33Å; T359-I484 WeakPolarHBondContact CG2-O 3.03Å; T359-I484 PolarHBondContact OG1-O 3.15Å; I466-I484 HydrophobicContact CG2-CG2 3.54Å; T467-I484 PolarHBondContact O-N 3.48Å; N468-I484 HydrophobicContact CB-CD1 3.67Å; N468-I484 HydrophobicContact CB-CG1 3.63Å; N468-I484 WeakPolarHBondContact OD1-CG1 3.17Å; V482-I484 PolarHBondContact O-N 2.99Å; I484-A486 VanDerWaalsContact C-N 3.33Å; I484-A486 HydrophobicContact CD1-CB 4.18Å; I484-A486 HydrophobicContact CG1-CB 4.16Å; I484-A486 PolarHBondContact O-N 3.03Å; I484-A497 HydrophobicContact CD1-CB 4.35Å; I484-Q501 HydrophobicContact CD1-CG 4.01Å; I484-Q501 HydrophobicContact CG2-CG 4.4Å; I484-A504 HydrophobicContact CG2-CB 3.94Å | ||
| 485 | N | 96.4 | Very high | 95.7 | Very high | 55 Ų | 55 | 25.8 Ų | 25.8 | 29% | 0.294 | 14% | 0.141 | S | C | . | . | trans | 56.5 | 41.7 | 174.5 | -164.7 | 37.3 | 0 | 0 | 0 | 113.6 | N358 H483 G487 | N358-N485 VanDerWaalsContact CB-O 3.23Å; N358-N485 WeakPolarHBondContact CB-O 3.27Å; N358-N485 PolarHBondContact O-ND2 2.87Å; H483-N485 WeakPolarHBondContact NE2-CA 3.32Å; H483-N485 PolarHBondContact O-N 3.33Å; N485-G487 PolarHBondContact O-N 3Å | ||
| 486 | A | 96.9 | Very high | 95.9 | Very high | 5 Ų | 5 | 24.2 Ų | 24.2 | 4% | 0.041 | 13% | 0.13 | C | C | . | . | trans | -80.5 | -4.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N468 I484 K496 S500 | N468-A486 PolarHBondContact OD1-N 3.42Å; I484-A486 VanDerWaalsContact C-N 3.33Å; I484-A486 HydrophobicContact CD1-CB 4.18Å; I484-A486 HydrophobicContact CG1-CB 4.16Å; I484-A486 PolarHBondContact O-N 3.03Å; A486-K496 HydrophobicContact CB-CG 4.43Å; A486-S500 WeakPolarHBondContact CB-OG 3.27Å | ||
| 487 | G | 93.8 | Very high | 96.3 | Very high | 14 Ų | 14 | 20 Ų | 20 | 14% | 0.144 | 11% | 0.114 | C | C | . | . | trans | 72.7 | 170.6 | -163 | 0 | 0 | 0 | 0 | 0 | 112.1 | N468 N485 | N468-G487 PolarHBondContact ND2-O 3.25Å; N485-G487 PolarHBondContact O-N 3Å | ||
| 488 | P | 93.7 | Very high | 96.6 | Very high | 28 Ų | 28 | 16.9 Ų | 16.9 | 18% | 0.182 | 10% | 0.099 | C | C | . | . | trans | -53.3 | 140.9 | 174.5 | -25.5 | 33.9 | 0 | 0 | 0 | 112.3 | M331 Q335 I336 I490 K496 | M331-P488 HydrophobicContact CG-CG 3.94Å; M331-P488 HydrophobicContact SD-CG 3.49Å; M331-P488 WeakPolarHBondContact SD-CG 3.4Å; Q335-P488 HydrophobicContact CB-CG 4.23Å; I336-P488 HydrophobicContact CG2-CB 3.85Å; I336-P488 HydrophobicContact CG2-CG 3.96Å; P488-I490 HydrophobicContact CB-CD1 4.49Å; P488-K496 WeakPolarHBondContact O-CE 3.34Å; P488-K496 PolarHBondContact O-NZ 2.94Å | ||
| 489 | E | 95 | Very high | 96.7 | Very high | 4 Ų | 4 | 16.3 Ų | 16.3 | 2% | 0.019 | 10% | 0.095 | C | C | . | . | trans | -120.7 | 111.3 | 173.6 | -163.7 | -178.4 | -119.1 | 0 | 0 | 107.6 | E348 S494 T495 K496 A497 K696 | E348-E489 WeakPolarHBondContact OE1-CA 3.4Å; E348-E489 WeakPolarHBondContact OE2-CG 3.19Å; E489-S494 WeakPolarHBondContact OE2-CA 3.37Å; E489-S494 PolarHBondContact OE2-OG 3.32Å; E489-T495 PolarHBondContact OE1-N 3.17Å; E489-K496 HydrophobicContact CG-CG 4.3Å; E489-K496 PolarHBondContact OE1-N 2.7Å; E489-A497 WeakPolarHBondContact OE1-CB 3.38Å; E489-A497 PolarHBondContact OE1-N 3.3Å; E489-A497 VanDerWaalsContact OE2-CB 3.29Å; E489-A497 WeakPolarHBondContact OE2-CB 3.25Å; E489-K696 WeakPolarHBondContact OE2-CE 3.37Å; E489-K696 IonicContact OE2-NZ 3.77Å; E489-K696 PolarHBondContact OE2-NZ 3.18Å | ||
| 490 | I | 93.8 | Very high | 96.7 | Very high | 11 Ų | 11 | 11.8 Ų | 11.8 | 6% | 0.056 | 7% | 0.074 | C | C | . | . | trans | -93.4 | -40.1 | -175.7 | -53.9 | -56.5 | 0 | 0 | 0 | 110.2 | Y32 I336 F344 E348 P488 V492 | Y32-I490 VanDerWaalsContact CB-O 3.26Å; Y32-I490 WeakPolarHBondContact CB-O 3.19Å; Y32-I490 HydrophobicContact CD1-CD1 4.49Å; Y32-I490 HydrophobicContact CD1-CG2 4.04Å; Y32-I490 HydrophobicContact CD2-CG2 4.36Å; Y32-I490 WeakPolarHBondContact CD2-O 3.28Å; Y32-I490 HydrophobicContact CE1-CD1 4.17Å; Y32-I490 HydrophobicContact CG-CG2 3.83Å; I336-I490 HydrophobicContact CB-CD1 4.25Å; I336-I490 HydrophobicContact CB-CG1 4.5Å; I336-I490 HydrophobicContact CG2-CD1 4.1Å; F344-I490 HydrophobicContact CB-CB 4.16Å; F344-I490 HydrophobicContact CB-CG2 4.38Å; F344-I490 HydrophobicContact CD1-CB 3.72Å; F344-I490 HydrophobicContact CD1-CG1 3.98Å; F344-I490 HydrophobicContact CD1-CG2 3.99Å; F344-I490 HydrophobicContact CD2-CB 4.19Å; F344-I490 HydrophobicContact CD2-CG2 3.6Å; F344-I490 HydrophobicContact CE1-CB 4.09Å; F344-I490 HydrophobicContact CE1-CG1 3.97Å; F344-I490 HydrophobicContact CE1-CG2 4.12Å; F344-I490 HydrophobicContact CE2-CG2 3.74Å; F344-I490 HydrophobicContact CG-CB 3.77Å; F344-I490 HydrophobicContact CG-CG2 3.73Å; F344-I490 HydrophobicContact CZ-CB 4.48Å; F344-I490 HydrophobicContact CZ-CG1 4.5Å; F344-I490 HydrophobicContact CZ-CG2 3.99Å; E348-I490 PolarHBondContact OE1-N 2.88Å; P488-I490 HydrophobicContact CB-CD1 4.49Å; I490-V492 PolarHBondContact O-N 3.42Å | ||
| 491 | G | 93.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -58.2 | 129.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | E348 A493 K696 | E348-G491 PolarHBondContact OE1-N 2.99Å; E348-G491 VanDerWaalsContact OE1-N 3.13Å; E348-G491 WeakPolarHBondContact OE2-CA 3.48Å; E348-G491 PolarHBondContact OE2-N 3.46Å; E348-G491 VanDerWaalsContact OE2-N 3.15Å; G491-A493 VanDerWaalsContact C-N 3.33Å; G491-A493 PolarHBondContact O-N 3.09Å; G491-K696 WeakPolarHBondContact O-CD 3.41Å; G491-K696 VanDerWaalsContact O-CE 3.27Å; G491-K696 WeakPolarHBondContact O-CE 3.36Å; G491-K696 PolarHBondContact O-NZ 3.03Å |
| 492 | V | 93.3 | Very high | 96.8 | Very high | 12 Ų | 12 | 10.5 Ų | 10.5 | 7% | 0.073 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -55.5 | -47.4 | -175.5 | 167.8 | 0 | 0 | 0 | 0 | 111.5 | I490 S494 D689 P691 L694 K696 | I490-V492 PolarHBondContact O-N 3.42Å; V492-S494 PolarHBondContact O-N 3.29Å; V492-D689 WeakPolarHBondContact CG2-O 3.3Å; V492-P691 HydrophobicContact CB-CG 3.87Å; V492-P691 HydrophobicContact CG1-CG 3.64Å; V492-L694 HydrophobicContact CG1-CB 4.22Å; V492-K696 HydrophobicContact CG2-CB 4.35Å; V492-K696 VanDerWaalsContact O-CD 3.25Å; V492-K696 WeakPolarHBondContact O-CD 3.3Å; V492-K696 PolarHBondContact O-NZ 2.87Å; V492-K696 VanDerWaalsContact O-NZ 3.16Å |
| 493 | A | 96.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.008 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -74.3 | 119.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | M345 G491 K578 L582 | M345-A493 HydrophobicContact CE-CB 4.35Å; G491-A493 VanDerWaalsContact C-N 3.33Å; G491-A493 PolarHBondContact O-N 3.09Å; A493-K578 HydrophobicContact CB-CD 4.1Å; A493-L582 HydrophobicContact CB-CD1 4.28Å; A493-L582 HydrophobicContact CB-CD2 3.84Å; A493-L582 HydrophobicContact CB-CG 4.18Å |
| 494 | S | 97.8 | Very high | 96.8 | Very high | 19 Ų | 19 | 7.4 Ų | 7.4 | 13% | 0.133 | 5% | 0.047 | C | C | . | . | trans | -64.5 | 138 | 178.7 | -56.3 | 0 | 0 | 0 | 0 | 112.6 | E489 V492 K696 | E489-S494 WeakPolarHBondContact OE2-CA 3.37Å; E489-S494 PolarHBondContact OE2-OG 3.32Å; V492-S494 PolarHBondContact O-N 3.29Å; S494-K696 PolarHBondContact OG-NZ 3.03Å | ||
| 495 | T | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -133.9 | -81.3 | -179 | 54.6 | 0 | 0 | 0 | 0 | 110.3 | M345 E348 I349 E489 A497 Y498 T499 | M345-T495 HydrophobicContact CE-CG2 3.68Å; M345-T495 HydrophobicContact CG-CG2 4.12Å; E348-T495 WeakPolarHBondContact CB-OG1 3.35Å; I349-T495 HydrophobicContact CD1-CG2 4.43Å; I349-T495 HydrophobicContact CG1-CG2 3.75Å; E489-T495 PolarHBondContact OE1-N 3.17Å; T495-A497 PolarHBondContact O-N 3.24Å; T495-Y498 WeakPolarHBondContact O-CB 3.39Å; T495-Y498 PolarHBondContact O-N 2.96Å; T495-T499 PolarHBondContact O-N 3.04Å |
| 496 | K | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 4.8 Ų | 4.8 | 1% | 0.013 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -62.2 | -29.1 | 177.4 | 62.5 | -178.5 | -178.9 | -178.6 | 0 | 113.2 | E348 E351 Q352 A486 P488 E489 Y498 T499 S500 | E348-K496 HydrophobicContact CB-CD 4.1Å; E348-K496 HydrophobicContact CB-CG 4.28Å; E348-K496 HydrophobicContact CG-CD 4.2Å; E351-K496 IonicContact OE2-NZ 2.83Å; E351-K496 PolarHBondContact OE2-NZ 2.69Å; Q352-K496 HydrophobicContact CG-CB 3.92Å; A486-K496 HydrophobicContact CB-CG 4.43Å; P488-K496 WeakPolarHBondContact O-CE 3.34Å; P488-K496 PolarHBondContact O-NZ 2.94Å; E489-K496 HydrophobicContact CG-CG 4.3Å; E489-K496 PolarHBondContact OE1-N 2.7Å; K496-Y498 VanDerWaalsContact C-N 3.33Å; K496-Y498 PolarHBondContact O-N 3.32Å; K496-T499 PolarHBondContact O-OG1 2.96Å; K496-S500 WeakPolarHBondContact O-CB 3.45Å; K496-S500 PolarHBondContact O-N 2.87Å; K496-S500 PolarHBondContact O-OG 2.91Å |
| 497 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -63.5 | -39 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q442 I484 E489 T495 Q501 | Q442-A497 HydrophobicContact CB-CB 4.09Å; Q442-A497 HydrophobicContact CG-CB 3.48Å; Q442-A497 VanDerWaalsContact CG-CB 3.48Å; I484-A497 HydrophobicContact CD1-CB 4.35Å; E489-A497 WeakPolarHBondContact OE1-CB 3.38Å; E489-A497 PolarHBondContact OE1-N 3.3Å; E489-A497 VanDerWaalsContact OE2-CB 3.29Å; E489-A497 WeakPolarHBondContact OE2-CB 3.25Å; T495-A497 PolarHBondContact O-N 3.24Å; A497-Q501 VanDerWaalsContact O-CB 3.32Å; A497-Q501 WeakPolarHBondContact O-CB 3.44Å; A497-Q501 WeakPolarHBondContact O-CG 3.37Å; A497-Q501 PolarHBondContact O-N 3.42Å |
| 498 | Y | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -63.5 | -52.6 | 177.4 | 173.7 | -103.9 | 0 | 0 | 0 | 111.1 | T396 H399 T495 K496 S500 Q501 L502 E574 V670 | T396-Y498 HydrophobicContact CG2-CD2 3.55Å; T396-Y498 HydrophobicContact CG2-CG 3.87Å; H399-Y498 HydrophobicContact CB-CE2 3.98Å; T495-Y498 WeakPolarHBondContact O-CB 3.39Å; T495-Y498 PolarHBondContact O-N 2.96Å; K496-Y498 VanDerWaalsContact C-N 3.33Å; K496-Y498 PolarHBondContact O-N 3.32Å; Y498-S500 PolarHBondContact O-N 3.3Å; Y498-Q501 WeakPolarHBondContact O-CB 3.47Å; Y498-Q501 PolarHBondContact O-N 3.02Å; Y498-Q501 VanDerWaalsContact O-N 3.15Å; Y498-L502 HydrophobicContact CD1-CD1 4.04Å; Y498-L502 HydrophobicContact CD2-CD1 3.78Å; Y498-L502 HydrophobicContact CE1-CD1 3.73Å; Y498-L502 HydrophobicContact CE1-CD2 3.96Å; Y498-L502 HydrophobicContact CE2-CD1 3.48Å; Y498-L502 VanDerWaalsContact CE2-CD1 3.48Å; Y498-L502 HydrophobicContact CG-CD1 4.07Å; Y498-L502 VanDerWaalsContact CZ-CD1 3.45Å; Y498-L502 WeakPolarHBondContact O-CD1 3.32Å; Y498-L502 PolarHBondContact O-N 2.86Å; Y498-E574 HydrophobicContact CD1-CG 4.39Å; Y498-E574 HydrophobicContact CD2-CG 4.36Å; Y498-E574 HydrophobicContact CE1-CG 4.23Å; Y498-E574 HydrophobicContact CE2-CB 4.41Å; Y498-E574 HydrophobicContact CE2-CG 4.17Å; Y498-E574 HydrophobicContact CG-CG 4.45Å; Y498-V670 HydrophobicContact CD1-CG1 4.11Å; Y498-V670 HydrophobicContact CD1-CG2 4.28Å; Y498-V670 HydrophobicContact CE1-CB 4.09Å; Y498-V670 HydrophobicContact CE1-CG1 3.9Å; Y498-V670 HydrophobicContact CE1-CG2 3.86Å |
| 499 | T | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -64.6 | -41.5 | -179 | 47.3 | 0 | 0 | 0 | 0 | 111.5 | Q352 T495 K496 Q501 L502 I503 V667 V670 | Q352-T499 PolarHBondContact OE1-OG1 3.48Å; T495-T499 PolarHBondContact O-N 3.04Å; K496-T499 PolarHBondContact O-OG1 2.96Å; T499-Q501 VanDerWaalsContact C-N 3.35Å; T499-Q501 PolarHBondContact O-N 2.98Å; T499-L502 WeakPolarHBondContact O-CB 3.49Å; T499-L502 PolarHBondContact O-N 3.23Å; T499-I503 WeakPolarHBondContact O-CG1 3.34Å; T499-I503 PolarHBondContact O-N 2.9Å; T499-V667 HydrophobicContact CG2-CG1 3.94Å; T499-V670 HydrophobicContact CG2-CG1 3.97Å |
| 500 | S | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -63.8 | -33.8 | 172.5 | -73.2 | 0 | 0 | 0 | 0 | 113.6 | T359 A486 K496 Y498 I503 A504 | T359-S500 WeakPolarHBondContact OG1-CB 3.47Å; T359-S500 PolarHBondContact OG1-OG 3.1Å; A486-S500 WeakPolarHBondContact CB-OG 3.27Å; K496-S500 WeakPolarHBondContact O-CB 3.45Å; K496-S500 PolarHBondContact O-N 2.87Å; K496-S500 PolarHBondContact O-OG 2.91Å; Y498-S500 PolarHBondContact O-N 3.3Å; S500-I503 PolarHBondContact O-N 3.35Å; S500-A504 WeakPolarHBondContact O-CB 3.35Å; S500-A504 PolarHBondContact O-N 3.1Å |
| 501 | Q | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 2.2 Ų | 2.2 | 1% | 0.005 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -63.8 | -45.7 | 171.5 | -76.7 | 164.2 | -6.9 | 0 | 0 | 111.3 | S397 S400 I440 I484 A497 Y498 T499 I503 A504 L505 | S397-Q501 PolarHBondContact OG-NE2 3.19Å; S397-Q501 VanDerWaalsContact OG-NE2 3.13Å; S400-Q501 PolarHBondContact OG-OE1 2.93Å; I440-Q501 HydrophobicContact CG2-CB 4.45Å; I440-Q501 HydrophobicContact CG2-CG 3.82Å; I484-Q501 HydrophobicContact CD1-CG 4.01Å; I484-Q501 HydrophobicContact CG2-CG 4.4Å; A497-Q501 VanDerWaalsContact O-CB 3.32Å; A497-Q501 WeakPolarHBondContact O-CB 3.44Å; A497-Q501 WeakPolarHBondContact O-CG 3.37Å; A497-Q501 PolarHBondContact O-N 3.42Å; Y498-Q501 WeakPolarHBondContact O-CB 3.47Å; Y498-Q501 PolarHBondContact O-N 3.02Å; Y498-Q501 VanDerWaalsContact O-N 3.15Å; T499-Q501 VanDerWaalsContact C-N 3.35Å; T499-Q501 PolarHBondContact O-N 2.98Å; Q501-I503 VanDerWaalsContact C-N 3.3Å; Q501-I503 PolarHBondContact O-N 3.3Å; Q501-A504 PolarHBondContact O-N 3.18Å; Q501-L505 WeakPolarHBondContact O-CB 3.11Å; Q501-L505 VanDerWaalsContact O-CG 3.25Å; Q501-L505 WeakPolarHBondContact O-CG 3.49Å; Q501-L505 PolarHBondContact O-N 2.84Å |
| 502 | L | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 3.2 Ų | 3.2 | 1% | 0.01 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -54.9 | -47.5 | 175.1 | -91.2 | 67.6 | 0 | 0 | 0 | 110.6 | A403 T404 Y498 T499 L505 V506 V667 | A403-L502 HydrophobicContact CB-CD1 4.15Å; A403-L502 HydrophobicContact CB-CD2 4.04Å; A403-L502 HydrophobicContact CB-CG 4.04Å; T404-L502 HydrophobicContact CG2-CG 4.3Å; Y498-L502 HydrophobicContact CD1-CD1 4.04Å; Y498-L502 HydrophobicContact CD2-CD1 3.78Å; Y498-L502 HydrophobicContact CE1-CD1 3.73Å; Y498-L502 HydrophobicContact CE1-CD2 3.96Å; Y498-L502 HydrophobicContact CE2-CD1 3.48Å; Y498-L502 VanDerWaalsContact CE2-CD1 3.48Å; Y498-L502 HydrophobicContact CG-CD1 4.07Å; Y498-L502 VanDerWaalsContact CZ-CD1 3.45Å; Y498-L502 WeakPolarHBondContact O-CD1 3.32Å; Y498-L502 PolarHBondContact O-N 2.86Å; T499-L502 WeakPolarHBondContact O-CB 3.49Å; T499-L502 PolarHBondContact O-N 3.23Å; L502-L505 PolarHBondContact O-N 2.85Å; L502-V506 WeakPolarHBondContact O-CG2 3.13Å; L502-V506 PolarHBondContact O-N 2.98Å; L502-V667 HydrophobicContact CB-CG2 4.04Å; L502-V667 HydrophobicContact CD2-CG2 3.64Å; L502-V667 HydrophobicContact CG-CG2 4.48Å |
| 503 | I | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -66.1 | -40.3 | -179.7 | -58.7 | -59.6 | 0 | 0 | 0 | 112.1 | V356 T359 M360 T499 S500 Q501 L505 V506 M507 L530 L533 L664 V667 | V356-I503 HydrophobicContact CG1-CD1 4.43Å; V356-I503 HydrophobicContact CG1-CG1 4.11Å; V356-I503 HydrophobicContact CG2-CG1 4.29Å; T359-I503 HydrophobicContact CG2-CB 4.05Å; T359-I503 HydrophobicContact CG2-CG2 3.91Å; M360-I503 HydrophobicContact CG-CG2 3.6Å; M360-I503 HydrophobicContact SD-CG2 4.12Å; T499-I503 WeakPolarHBondContact O-CG1 3.34Å; T499-I503 PolarHBondContact O-N 2.9Å; S500-I503 PolarHBondContact O-N 3.35Å; Q501-I503 VanDerWaalsContact C-N 3.3Å; Q501-I503 PolarHBondContact O-N 3.3Å; I503-L505 VanDerWaalsContact C-N 3.33Å; I503-L505 PolarHBondContact O-N 2.95Å; I503-V506 PolarHBondContact O-N 3.06Å; I503-M507 HydrophobicContact CG2-CE 4.29Å; I503-M507 WeakPolarHBondContact O-CG 3.39Å; I503-M507 PolarHBondContact O-N 3.31Å; I503-L530 HydrophobicContact CD1-CD2 3.62Å; I503-L530 HydrophobicContact CG2-CD2 4.29Å; I503-L533 HydrophobicContact CD1-CD2 3.33Å; I503-L533 HydrophobicContact CG1-CD2 4.35Å; I503-L664 HydrophobicContact CD1-CD2 4.23Å; I503-V667 HydrophobicContact CD1-CG2 4.19Å |
| 504 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T359 I466 V482 I484 S500 Q501 M507 F508 | T359-A504 HydrophobicContact CG2-CB 4.43Å; I466-A504 HydrophobicContact CG2-CB 4.26Å; V482-A504 HydrophobicContact CG1-CB 4.4Å; I484-A504 HydrophobicContact CG2-CB 3.94Å; S500-A504 WeakPolarHBondContact O-CB 3.35Å; S500-A504 PolarHBondContact O-N 3.1Å; Q501-A504 PolarHBondContact O-N 3.18Å; A504-M507 PolarHBondContact O-N 3.25Å; A504-F508 WeakPolarHBondContact O-CB 3.4Å; A504-F508 PolarHBondContact O-N 3.31Å |
| 505 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -71.4 | -34.9 | 178 | -67.7 | 169.2 | 0 | 0 | 0 | 112.7 | F391 T404 I440 I466 Q501 L502 I503 F508 A509 | F391-L505 HydrophobicContact CD1-CD2 3.97Å; F391-L505 HydrophobicContact CE1-CD2 3.5Å; T404-L505 HydrophobicContact CG2-CB 3.71Å; T404-L505 HydrophobicContact CG2-CD1 4.13Å; T404-L505 WeakPolarHBondContact OG1-CD1 3.23Å; I440-L505 HydrophobicContact CD1-CD1 3.81Å; I440-L505 HydrophobicContact CD1-CD2 4.16Å; I466-L505 HydrophobicContact CG1-CD2 4.48Å; Q501-L505 WeakPolarHBondContact O-CB 3.11Å; Q501-L505 VanDerWaalsContact O-CG 3.25Å; Q501-L505 WeakPolarHBondContact O-CG 3.49Å; Q501-L505 PolarHBondContact O-N 2.84Å; L502-L505 PolarHBondContact O-N 2.85Å; I503-L505 VanDerWaalsContact C-N 3.33Å; I503-L505 PolarHBondContact O-N 2.95Å; L505-F508 WeakPolarHBondContact O-CB 3.35Å; L505-F508 PolarHBondContact O-N 3.19Å; L505-A509 PolarHBondContact O-N 2.79Å |
| 506 | V | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.006 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63.2 | -47.4 | 170.9 | 170.2 | 0 | 0 | 0 | 0 | 110.4 | T404 L407 L502 I503 F508 A509 L510 I526 L530 L664 | T404-V506 HydrophobicContact CG2-CG2 4.39Å; L407-V506 HydrophobicContact CD2-CB 4.16Å; L407-V506 HydrophobicContact CD2-CG1 4.1Å; L407-V506 HydrophobicContact CD2-CG2 3.72Å; L502-V506 WeakPolarHBondContact O-CG2 3.13Å; L502-V506 PolarHBondContact O-N 2.98Å; I503-V506 PolarHBondContact O-N 3.06Å; V506-F508 VanDerWaalsContact C-N 3.27Å; V506-F508 PolarHBondContact O-N 2.75Å; V506-A509 WeakPolarHBondContact O-CB 3.25Å; V506-A509 PolarHBondContact O-N 3.07Å; V506-A509 VanDerWaalsContact O-N 3.16Å; V506-L510 HydrophobicContact CG1-CD1 4.19Å; V506-L510 WeakPolarHBondContact O-CG 3.24Å; V506-L510 PolarHBondContact O-N 3Å; V506-I526 HydrophobicContact CG1-CG2 3.71Å; V506-L530 HydrophobicContact CG1-CD1 4.17Å; V506-L664 HydrophobicContact CB-CD2 4.49Å; V506-L664 HydrophobicContact CG1-CD2 4.16Å; V506-L664 HydrophobicContact CG2-CD2 3.83Å |
| 507 | M | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.2 | -38.6 | 174.8 | -73.3 | -172.6 | -63.8 | 0 | 0 | 111.8 | T359 M360 R363 I364 V371 L373 I503 A504 L510 V511 | T359-M507 HydrophobicContact CG2-CE 3.88Å; T359-M507 WeakPolarHBondContact O-CE 3.42Å; M360-M507 HydrophobicContact CG-SD 4.4Å; R363-M507 HydrophobicContact CB-SD 3.85Å; I364-M507 HydrophobicContact CD1-CG 3.97Å; I364-M507 HydrophobicContact CD1-SD 3.86Å; I364-M507 HydrophobicContact CG1-CG 4.25Å; I364-M507 HydrophobicContact CG1-SD 3.74Å; V371-M507 HydrophobicContact CG1-CB 3.8Å; V371-M507 HydrophobicContact CG1-CG 3.96Å; V371-M507 HydrophobicContact CG1-SD 4.41Å; L373-M507 HydrophobicContact CD1-CB 4.29Å; L373-M507 HydrophobicContact CD2-CB 4.13Å; L373-M507 HydrophobicContact CD2-CE 4.14Å; L373-M507 HydrophobicContact CD2-SD 4.32Å; L373-M507 HydrophobicContact CG-CB 4.49Å; I503-M507 HydrophobicContact CG2-CE 4.29Å; I503-M507 WeakPolarHBondContact O-CG 3.39Å; I503-M507 PolarHBondContact O-N 3.31Å; A504-M507 PolarHBondContact O-N 3.25Å; M507-L510 PolarHBondContact O-N 2.96Å; M507-V511 WeakPolarHBondContact O-CG2 3.15Å; M507-V511 PolarHBondContact O-N 3.18Å |
| 508 | F | 98.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.7 | -46.7 | 173.9 | 178.2 | -111.2 | 0 | 0 | 0 | 111.6 | L373 L376 I383 L389 F391 L464 A504 L505 V506 L510 V511 L512 | L373-F508 HydrophobicContact CD1-CB 4.18Å; L376-F508 HydrophobicContact CD1-CD2 3.64Å; L376-F508 HydrophobicContact CD1-CE2 3.97Å; I383-F508 HydrophobicContact CG2-CE2 4.2Å; I383-F508 HydrophobicContact CG2-CZ 4.06Å; L389-F508 HydrophobicContact CD1-CE1 4.34Å; F391-F508 HydrophobicContact CZ-CD1 4.27Å; F391-F508 AromaticContact CZ-CE1 3.95Å; F391-F508 HydrophobicContact CZ-CE1 3.95Å; L464-F508 HydrophobicContact CD1-CD2 4.36Å; L464-F508 HydrophobicContact CD1-CE2 3.74Å; L464-F508 HydrophobicContact CD1-CZ 4.23Å; A504-F508 WeakPolarHBondContact O-CB 3.4Å; A504-F508 PolarHBondContact O-N 3.31Å; L505-F508 WeakPolarHBondContact O-CB 3.35Å; L505-F508 PolarHBondContact O-N 3.19Å; V506-F508 VanDerWaalsContact C-N 3.27Å; V506-F508 PolarHBondContact O-N 2.75Å; F508-L510 VanDerWaalsContact C-N 3.34Å; F508-L510 PolarHBondContact O-N 3.3Å; F508-V511 PolarHBondContact O-N 3.01Å; F508-L512 HydrophobicContact CD1-CD1 4.16Å; F508-L512 HydrophobicContact CE1-CD1 3.63Å; F508-L512 HydrophobicContact CE1-CG 4.33Å; F508-L512 HydrophobicContact CE2-CD1 4.49Å; F508-L512 HydrophobicContact CE2-CD2 4.27Å; F508-L512 HydrophobicContact CE2-CG 4.41Å; F508-L512 HydrophobicContact CZ-CD1 3.82Å; F508-L512 HydrophobicContact CZ-CD2 4.19Å; F508-L512 HydrophobicContact CZ-CG 4.21Å; F508-L512 WeakPolarHBondContact O-CG 3.45Å; F508-L512 PolarHBondContact O-N 3.01Å |
| 509 | A | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.4 | -39.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | L407 I408 M411 L505 V506 V511 L512 S513 | L407-A509 HydrophobicContact CD2-CB 4.12Å; L407-A509 HydrophobicContact CG-CB 4.03Å; I408-A509 HydrophobicContact CG1-CB 4.02Å; M411-A509 HydrophobicContact CB-CB 3.97Å; M411-A509 WeakPolarHBondContact CB-O 3.12Å; M411-A509 HydrophobicContact CG-CB 4Å; L505-A509 PolarHBondContact O-N 2.79Å; V506-A509 WeakPolarHBondContact O-CB 3.25Å; V506-A509 PolarHBondContact O-N 3.07Å; V506-A509 VanDerWaalsContact O-N 3.16Å; A509-V511 VanDerWaalsContact C-N 3.31Å; A509-V511 PolarHBondContact O-N 2.95Å; A509-L512 PolarHBondContact O-N 3.19Å; A509-S513 PolarHBondContact O-N 3.48Å; A509-S513 PolarHBondContact O-OG 3.23Å |
| 510 | L | 98 | Very high | 96.9 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.4 | -31 | 177.1 | -69.7 | 172.1 | 0 | 0 | 0 | 113.3 | V371 V506 M507 F508 S513 R523 I526 I527 L530 | V371-L510 HydrophobicContact CB-CB 4.36Å; V371-L510 HydrophobicContact CG2-CB 4.06Å; V371-L510 HydrophobicContact CG2-CD1 3.85Å; V506-L510 HydrophobicContact CG1-CD1 4.19Å; V506-L510 WeakPolarHBondContact O-CG 3.24Å; V506-L510 PolarHBondContact O-N 3Å; M507-L510 PolarHBondContact O-N 2.96Å; F508-L510 VanDerWaalsContact C-N 3.34Å; F508-L510 PolarHBondContact O-N 3.3Å; L510-S513 PolarHBondContact O-OG 2.82Å; L510-R523 HydrophobicContact CD2-CB 4.03Å; L510-R523 HydrophobicContact CD2-CG 3.98Å; L510-R523 PolarHBondContact O-NE 3.39Å; L510-R523 PolarHBondContact O-NH2 2.92Å; L510-R523 VanDerWaalsContact O-NH2 3.14Å; L510-I526 HydrophobicContact CD1-CG2 3.95Å; L510-I526 HydrophobicContact CD2-CB 4.17Å; L510-I526 HydrophobicContact CD2-CD1 4.26Å; L510-I526 HydrophobicContact CD2-CG2 4.14Å; L510-I526 HydrophobicContact CG-CG2 4.39Å; L510-I527 HydrophobicContact CD1-CG1 3.87Å; L510-L530 HydrophobicContact CD1-CD1 4.01Å |
| 511 | V | 96.9 | Very high | 96.8 | Very high | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.03 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -74.5 | -37.6 | 174.4 | 167.4 | 0 | 0 | 0 | 0 | 111.1 | V371 L373 L380 R384 M507 F508 A509 S513 | V371-V511 HydrophobicContact CB-CG2 4.22Å; V371-V511 HydrophobicContact CG1-CG2 3.85Å; L373-V511 HydrophobicContact CD1-CG2 4.18Å; L373-V511 HydrophobicContact CG-CG2 4.11Å; L380-V511 HydrophobicContact CD1-CG1 3.48Å; L380-V511 VanDerWaalsContact CD1-CG1 3.48Å; L380-V511 HydrophobicContact CD2-CG1 3.84Å; L380-V511 HydrophobicContact CG-CG1 4.33Å; R384-V511 PolarHBondContact NH2-O 2.98Å; M507-V511 WeakPolarHBondContact O-CG2 3.15Å; M507-V511 PolarHBondContact O-N 3.18Å; F508-V511 PolarHBondContact O-N 3.01Å; A509-V511 VanDerWaalsContact C-N 3.31Å; A509-V511 PolarHBondContact O-N 2.95Å; V511-S513 VanDerWaalsContact C-N 3.32Å; V511-S513 PolarHBondContact O-N 2.93Å |
| 512 | L | 96.1 | Very high | 96.7 | Very high | 21 Ų | 21 | 35.2 Ų | 35.2 | 11% | 0.11 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.6 | -33.8 | 176.8 | -66.1 | -177.9 | 0 | 0 | 0 | 112.9 | I383 L389 F508 A509 | I383-L512 HydrophobicContact CG2-CD2 3.64Å; L389-L512 HydrophobicContact CD1-CD1 3.91Å; F508-L512 HydrophobicContact CD1-CD1 4.16Å; F508-L512 HydrophobicContact CE1-CD1 3.63Å; F508-L512 HydrophobicContact CE1-CG 4.33Å; F508-L512 HydrophobicContact CE2-CD1 4.49Å; F508-L512 HydrophobicContact CE2-CD2 4.27Å; F508-L512 HydrophobicContact CE2-CG 4.41Å; F508-L512 HydrophobicContact CZ-CD1 3.82Å; F508-L512 HydrophobicContact CZ-CD2 4.19Å; F508-L512 HydrophobicContact CZ-CG 4.21Å; F508-L512 WeakPolarHBondContact O-CG 3.45Å; F508-L512 PolarHBondContact O-N 3.01Å; A509-L512 PolarHBondContact O-N 3.19Å |
| 513 | S | 96.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 1.3 | -177.1 | 52.7 | 0 | 0 | 0 | 0 | 114.9 | M411 A509 L510 V511 D515 R516 R523 | M411-S513 WeakPolarHBondContact O-CB 3.34Å; A509-S513 PolarHBondContact O-N 3.48Å; A509-S513 PolarHBondContact O-OG 3.23Å; L510-S513 PolarHBondContact O-OG 2.82Å; V511-S513 VanDerWaalsContact C-N 3.32Å; V511-S513 PolarHBondContact O-N 2.93Å; S513-D515 PolarHBondContact O-N 3.05Å; S513-R516 WeakPolarHBondContact O-CB 3.44Å; S513-R516 PolarHBondContact O-N 3.41Å; S513-R516 VanDerWaalsContact O-N 3.09Å; S513-R523 WeakPolarHBondContact OG-CD 3.34Å |
| 514 | E | 93.6 | Very high | 96.7 | Very high | 64 Ų | 64 | 38.4 Ų | 38.4 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -42.2 | -168.2 | -175.7 | 174.6 | -146.3 | 0 | 0 | 114.6 | R384 R516 Q520 | R384-E514 IonicContact NH2-OE2 3.68Å; R384-E514 PolarHBondContact NH2-OE2 2.67Å; E514-R516 PolarHBondContact O-N 3.33Å; E514-Q520 PolarHBondContact O-NE2 2.78Å |
| 515 | D | 91.3 | Very high | 96.6 | Very high | 116 Ų | 116 | 40.3 Ų | 40.3 | 62% | 0.62 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 2.1 | -176.2 | -57.4 | -25.9 | 0 | 0 | 0 | 113 | R384 S513 | R384-D515 IonicContact CZ-OD2 3.28Å; R384-D515 IonicContact NE-OD2 2.86Å; R384-D515 VanDerWaalsContact NH1-CG 3.3Å; R384-D515 IonicContact NH1-OD1 2.81Å; R384-D515 PolarHBondContact NH1-OD1 2.84Å; R384-D515 IonicContact NH1-OD2 2.76Å; R384-D515 PolarHBondContact NH1-OD2 2.78Å; S513-D515 PolarHBondContact O-N 3.05Å |
| 516 | R | 93 | Very high | 96.6 | Very high | 60 Ų | 60 | 40.4 Ų | 40.4 | 23% | 0.226 | 22% | 0.221 | C | C | . | . | trans | -96.7 | 109.8 | -175 | -63.8 | -127.8 | -77.2 | -131.7 | 1.9 | 111.6 | E410 M411 E413 S513 E514 S518 L519 Q520 | E410-R516 PolarHBondContact O-NH2 2.8Å; M411-R516 PolarHBondContact O-NH2 3.43Å; E413-R516 VanDerWaalsContact CD-CZ 3.43Å; E413-R516 VanDerWaalsContact CD-NH1 3.29Å; E413-R516 IonicContact OE1-CZ 3.72Å; E413-R516 IonicContact OE1-NH2 2.7Å; E413-R516 IonicContact OE2-CZ 3.51Å; E413-R516 IonicContact OE2-NH1 3.4Å; E413-R516 PolarHBondContact OE2-NH1 3.37Å; E413-R516 IonicContact OE2-NH2 3.96Å; E413-R516 PolarHBondContact OE2-NH2 3.26Å; S513-R516 WeakPolarHBondContact O-CB 3.44Å; S513-R516 PolarHBondContact O-N 3.41Å; S513-R516 VanDerWaalsContact O-N 3.09Å; E514-R516 PolarHBondContact O-N 3.33Å; R516-S518 VanDerWaalsContact C-N 3.32Å; R516-S518 PolarHBondContact O-N 3.33Å; R516-L519 HydrophobicContact CB-CB 4.15Å; R516-L519 HydrophobicContact CB-CD1 4.09Å; R516-L519 HydrophobicContact CB-CG 4.12Å; R516-L519 PolarHBondContact O-N 3.08Å; R516-Q520 PolarHBondContact O-N 3.3Å; R516-Q520 PolarHBondContact O-NE2 3.17Å | ||
| 517 | I | 94.7 | Very high | 96.6 | Very high | 152 Ų | 152 | 40.4 Ų | 40.4 | 78% | 0.779 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -59.4 | -42.8 | 179.3 | -60.3 | 174.7 | 0 | 0 | 0 | 111.2 | L519 Q520 | I517-L519 PolarHBondContact O-N 2.83Å; I517-Q520 WeakPolarHBondContact O-CG 3.49Å; I517-Q520 PolarHBondContact O-N 3.2Å |
| 518 | S | 96.5 | Very high | 96.6 | Very high | 98 Ų | 98 | 45 Ų | 45 | 69% | 0.685 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -63.5 | -24 | -178.8 | 54.2 | 0 | 0 | 0 | 0 | 114 | R516 | R516-S518 VanDerWaalsContact C-N 3.32Å; R516-S518 PolarHBondContact O-N 3.33Å |
| 519 | L | 96.5 | Very high | 96.6 | Very high | 21 Ų | 21 | 45.3 Ų | 45.3 | 11% | 0.11 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -94.8 | -8.5 | -178.3 | -65 | -177.5 | 0 | 0 | 0 | 113.6 | M411 R516 I517 P521 K522 R523 | M411-L519 HydrophobicContact SD-CD1 4.1Å; R516-L519 HydrophobicContact CB-CB 4.15Å; R516-L519 HydrophobicContact CB-CD1 4.09Å; R516-L519 HydrophobicContact CB-CG 4.12Å; R516-L519 PolarHBondContact O-N 3.08Å; I517-L519 PolarHBondContact O-N 2.83Å; L519-P521 VanDerWaalsContact C-CD 3.49Å; L519-K522 PolarHBondContact O-N 2.72Å; L519-R523 WeakPolarHBondContact O-CG 3.49Å; L519-R523 PolarHBondContact O-N 3.41Å |
| 520 | Q | 96.6 | Very high | 96.6 | Very high | 56 Ų | 56 | 45.3 Ų | 45.3 | 26% | 0.262 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -54.5 | -43.5 | -177.5 | -62 | -56.9 | -44.5 | 0 | 0 | 113.8 | E514 R516 I517 K522 R523 I524 | E514-Q520 PolarHBondContact O-NE2 2.78Å; R516-Q520 PolarHBondContact O-N 3.3Å; R516-Q520 PolarHBondContact O-NE2 3.17Å; I517-Q520 WeakPolarHBondContact O-CG 3.49Å; I517-Q520 PolarHBondContact O-N 3.2Å; Q520-K522 VanDerWaalsContact C-N 3.3Å; Q520-K522 PolarHBondContact O-N 2.96Å; Q520-R523 PolarHBondContact O-N 2.99Å; Q520-I524 VanDerWaalsContact O-CG1 3.31Å; Q520-I524 WeakPolarHBondContact O-CG1 3.24Å; Q520-I524 PolarHBondContact O-N 2.61Å |
| 521 | P | 97.1 | Very high | 96.6 | Very high | 93 Ų | 93 | 48 Ų | 48 | 60% | 0.604 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -58.9 | -41.5 | 177.3 | -24.8 | 35.4 | 0 | 0 | 0 | 112.7 | L519 A525 | L519-P521 VanDerWaalsContact C-CD 3.49Å; P521-A525 WeakPolarHBondContact O-CB 3.24Å; P521-A525 PolarHBondContact O-N 2.94Å; P521-A525 VanDerWaalsContact O-N 3.07Å |
| 522 | K | 97 | Very high | 96.6 | Very high | 48 Ų | 48 | 53.2 Ų | 53.2 | 21% | 0.209 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.6 | -40.2 | 178.4 | -168.6 | 170 | 179.8 | 160 | 0 | 111.7 | E410 M411 L519 Q520 A525 I526 | E410-K522 WeakPolarHBondContact OE1-CD 3.13Å; E410-K522 WeakPolarHBondContact OE1-CE 3.45Å; E410-K522 IonicContact OE1-NZ 3.54Å; E410-K522 PolarHBondContact OE1-NZ 3.49Å; E410-K522 IonicContact OE2-NZ 3.85Å; E410-K522 PolarHBondContact OE2-NZ 3.06Å; M411-K522 HydrophobicContact CE-CB 4.26Å; M411-K522 HydrophobicContact CE-CD 3.49Å; M411-K522 VanDerWaalsContact CE-CD 3.49Å; M411-K522 HydrophobicContact CE-CG 3.64Å; L519-K522 PolarHBondContact O-N 2.72Å; Q520-K522 VanDerWaalsContact C-N 3.3Å; Q520-K522 PolarHBondContact O-N 2.96Å; K522-A525 PolarHBondContact O-N 3.09Å; K522-I526 HydrophobicContact CG-CD1 4.03Å; K522-I526 HydrophobicContact CG-CG1 4.5Å; K522-I526 VanDerWaalsContact O-CG1 3.29Å; K522-I526 WeakPolarHBondContact O-CG1 3.42Å; K522-I526 PolarHBondContact O-N 3.23Å |
| 523 | R | 97.8 | Very high | 96.7 | Very high | 9 Ų | 9 | 52.2 Ų | 52.2 | 3% | 0.034 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.3 | -48.7 | 175.3 | -68.1 | 178 | 73.6 | -122.7 | 0.8 | 111.2 | L510 S513 L519 Q520 I526 I527 | L510-R523 HydrophobicContact CD2-CB 4.03Å; L510-R523 HydrophobicContact CD2-CG 3.98Å; L510-R523 PolarHBondContact O-NE 3.39Å; L510-R523 PolarHBondContact O-NH2 2.92Å; L510-R523 VanDerWaalsContact O-NH2 3.14Å; S513-R523 WeakPolarHBondContact OG-CD 3.34Å; L519-R523 WeakPolarHBondContact O-CG 3.49Å; L519-R523 PolarHBondContact O-N 3.41Å; Q520-R523 PolarHBondContact O-N 2.99Å; R523-I526 PolarHBondContact O-N 3.15Å; R523-I527 VanDerWaalsContact O-CG1 3.29Å; R523-I527 WeakPolarHBondContact O-CG1 3.47Å; R523-I527 PolarHBondContact O-N 2.92Å |
| 524 | I | 97.7 | Very high | 96.8 | Very high | 61 Ų | 61 | 52.5 Ų | 52.5 | 31% | 0.313 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.9 | -48.5 | 178.2 | -67.2 | 166 | 0 | 0 | 0 | 110.2 | N369 Q520 I526 I527 E528 | N369-I524 HydrophobicContact CB-CG1 4.22Å; Q520-I524 VanDerWaalsContact O-CG1 3.31Å; Q520-I524 WeakPolarHBondContact O-CG1 3.24Å; Q520-I524 PolarHBondContact O-N 2.61Å; I524-I526 VanDerWaalsContact C-N 3.3Å; I524-I526 PolarHBondContact O-N 3.16Å; I524-I527 PolarHBondContact O-N 3.42Å; I524-I527 VanDerWaalsContact O-N 3.14Å; I524-E528 HydrophobicContact CG2-CG 4.27Å; I524-E528 WeakPolarHBondContact CG2-OE1 3.27Å; I524-E528 WeakPolarHBondContact O-CB 3.44Å; I524-E528 WeakPolarHBondContact O-CG 3.37Å; I524-E528 PolarHBondContact O-N 3Å |
| 525 | A | 97.9 | Very high | 97 | Very high | 40 Ų | 40 | 54.7 Ų | 54.7 | 33% | 0.331 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.7 | -40.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | P521 K522 A529 V661 | P521-A525 WeakPolarHBondContact O-CB 3.24Å; P521-A525 PolarHBondContact O-N 2.94Å; P521-A525 VanDerWaalsContact O-N 3.07Å; K522-A525 PolarHBondContact O-N 3.09Å; A525-A529 WeakPolarHBondContact O-CB 3.25Å; A525-A529 PolarHBondContact O-N 3Å; A525-V661 HydrophobicContact CB-CG1 4.34Å |
| 526 | I | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.8 | -43.4 | 176.8 | -65.6 | 167.5 | 0 | 0 | 0 | 111.1 | L407 M411 V506 L510 K522 R523 I524 A529 L530 V661 L664 | L407-I526 HydrophobicContact CD1-CD1 3.85Å; M411-I526 HydrophobicContact CE-CD1 3.48Å; M411-I526 VanDerWaalsContact CE-CD1 3.48Å; V506-I526 HydrophobicContact CG1-CG2 3.71Å; L510-I526 HydrophobicContact CD1-CG2 3.95Å; L510-I526 HydrophobicContact CD2-CB 4.17Å; L510-I526 HydrophobicContact CD2-CD1 4.26Å; L510-I526 HydrophobicContact CD2-CG2 4.14Å; L510-I526 HydrophobicContact CG-CG2 4.39Å; K522-I526 HydrophobicContact CG-CD1 4.03Å; K522-I526 HydrophobicContact CG-CG1 4.5Å; K522-I526 VanDerWaalsContact O-CG1 3.29Å; K522-I526 WeakPolarHBondContact O-CG1 3.42Å; K522-I526 PolarHBondContact O-N 3.23Å; R523-I526 PolarHBondContact O-N 3.15Å; I524-I526 VanDerWaalsContact C-N 3.3Å; I524-I526 PolarHBondContact O-N 3.16Å; I526-A529 PolarHBondContact O-N 2.79Å; I526-L530 HydrophobicContact CG2-CD1 4.19Å; I526-L530 HydrophobicContact CG2-CG 4.4Å; I526-L530 WeakPolarHBondContact O-CG 3.36Å; I526-L530 PolarHBondContact O-N 3.42Å; I526-V661 HydrophobicContact CG1-CG2 4.31Å; I526-L664 HydrophobicContact CG2-CD1 4.46Å |
| 527 | I | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 179.7 | -67.6 | 167.4 | 0 | 0 | 0 | 111.1 | I364 F366 N369 V371 L510 R523 I524 A529 L530 S531 | I364-I527 HydrophobicContact CG2-CG2 3.94Å; F366-I527 HydrophobicContact CD1-CG2 3.83Å; F366-I527 HydrophobicContact CE1-CG2 4.35Å; F366-I527 WeakPolarHBondContact CE1-O 3.43Å; N369-I527 HydrophobicContact CB-CD1 4.17Å; N369-I527 VanDerWaalsContact O-CD1 3.23Å; N369-I527 WeakPolarHBondContact O-CD1 3.5Å; V371-I527 HydrophobicContact CG2-CD1 3.96Å; V371-I527 HydrophobicContact CG2-CG1 4.14Å; L510-I527 HydrophobicContact CD1-CG1 3.87Å; R523-I527 VanDerWaalsContact O-CG1 3.29Å; R523-I527 WeakPolarHBondContact O-CG1 3.47Å; R523-I527 PolarHBondContact O-N 2.92Å; I524-I527 PolarHBondContact O-N 3.42Å; I524-I527 VanDerWaalsContact O-N 3.14Å; I527-A529 VanDerWaalsContact C-N 3.31Å; I527-A529 PolarHBondContact O-N 2.75Å; I527-L530 WeakPolarHBondContact O-CB 3.41Å; I527-L530 PolarHBondContact O-N 2.97Å; I527-S531 PolarHBondContact O-N 3.29Å; I527-S531 VanDerWaalsContact O-N 3.15Å |
| 528 | E | 98 | Very high | 97.8 | Very high | 97 Ų | 97 | 45.3 Ų | 45.3 | 45% | 0.453 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61 | -40.4 | 173.7 | -73 | 179.1 | -176 | 0 | 0 | 111.6 | I524 S531 | I524-E528 HydrophobicContact CG2-CG 4.27Å; I524-E528 WeakPolarHBondContact CG2-OE1 3.27Å; I524-E528 WeakPolarHBondContact O-CB 3.44Å; I524-E528 WeakPolarHBondContact O-CG 3.37Å; I524-E528 PolarHBondContact O-N 3Å; E528-S531 WeakPolarHBondContact O-CB 3.12Å; E528-S531 PolarHBondContact O-N 3.46Å; E528-S531 PolarHBondContact O-OG 3.23Å |
| 529 | A | 98.1 | Very high | 97.9 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.7 | -39.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A525 I526 I527 S531 K532 L533 V661 L664 | A525-A529 WeakPolarHBondContact O-CB 3.25Å; A525-A529 PolarHBondContact O-N 3Å; I526-A529 PolarHBondContact O-N 2.79Å; I527-A529 VanDerWaalsContact C-N 3.31Å; I527-A529 PolarHBondContact O-N 2.75Å; A529-S531 PolarHBondContact O-N 3.25Å; A529-K532 PolarHBondContact O-N 2.83Å; A529-K532 VanDerWaalsContact O-N 3.09Å; A529-L533 PolarHBondContact O-N 2.73Å; A529-V661 HydrophobicContact CB-CB 4.25Å; A529-V661 HydrophobicContact CB-CG1 3.8Å; A529-V661 HydrophobicContact CB-CG2 3.56Å; A529-L664 HydrophobicContact CB-CD1 3.77Å |
| 530 | L | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.3 | -35.7 | 173.1 | -75.8 | 172 | 0 | 0 | 0 | 111.8 | M360 I364 F366 I503 V506 L510 I526 I527 K532 L533 L664 | M360-L530 HydrophobicContact SD-CB 3.83Å; M360-L530 HydrophobicContact SD-CD2 3.99Å; M360-L530 HydrophobicContact SD-CG 4.35Å; I364-L530 HydrophobicContact CD1-CB 4.46Å; I364-L530 HydrophobicContact CD1-CD1 3.68Å; F366-L530 HydrophobicContact CE1-CB 4.15Å; I503-L530 HydrophobicContact CD1-CD2 3.62Å; I503-L530 HydrophobicContact CG2-CD2 4.29Å; V506-L530 HydrophobicContact CG1-CD1 4.17Å; L510-L530 HydrophobicContact CD1-CD1 4.01Å; I526-L530 HydrophobicContact CG2-CD1 4.19Å; I526-L530 HydrophobicContact CG2-CG 4.4Å; I526-L530 WeakPolarHBondContact O-CG 3.36Å; I526-L530 PolarHBondContact O-N 3.42Å; I527-L530 WeakPolarHBondContact O-CB 3.41Å; I527-L530 PolarHBondContact O-N 2.97Å; L530-K532 PolarHBondContact O-N 3.05Å; L530-L533 HydrophobicContact CD2-CD2 4.22Å; L530-L533 WeakPolarHBondContact O-CB 3.36Å; L530-L533 PolarHBondContact O-N 3.09Å; L530-L664 HydrophobicContact CD2-CD1 3.77Å; L530-L664 HydrophobicContact CD2-CD2 3.9Å; L530-L664 HydrophobicContact CG-CD1 3.85Å |
| 531 | S | 97.5 | Very high | 98.1 | Very high | 56 Ų | 56 | 39.5 Ų | 39.5 | 39% | 0.392 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.3 | -27.6 | 178.2 | 80.2 | 0 | 0 | 0 | 0 | 113.7 | I527 E528 A529 | I527-S531 PolarHBondContact O-N 3.29Å; I527-S531 VanDerWaalsContact O-N 3.15Å; E528-S531 WeakPolarHBondContact O-CB 3.12Å; E528-S531 PolarHBondContact O-N 3.46Å; E528-S531 PolarHBondContact O-OG 3.23Å; A529-S531 PolarHBondContact O-N 3.25Å |
| 532 | K | 98 | Very high | 98.1 | Very high | 116 Ų | 116 | 43 Ų | 43 | 50% | 0.504 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -95 | -12.4 | -177.8 | -60.9 | 170.7 | -172.6 | 170.4 | 0 | 112.7 | A529 L530 S534 D535 Q536 | A529-K532 PolarHBondContact O-N 2.83Å; A529-K532 VanDerWaalsContact O-N 3.09Å; L530-K532 PolarHBondContact O-N 3.05Å; K532-S534 PolarHBondContact O-N 3.18Å; K532-D535 PolarHBondContact O-N 3.45Å; K532-D535 VanDerWaalsContact O-N 3.15Å; K532-Q536 WeakPolarHBondContact O-CG 3.45Å; K532-Q536 PolarHBondContact O-N 3.02Å; K532-Q536 VanDerWaalsContact O-N 3.12Å |
| 533 | L | 98 | Very high | 98.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.5 | -39.7 | -164.7 | -170.8 | 64.3 | 0 | 0 | 0 | 112.9 | V356 I503 A529 L530 D535 Q536 I537 V667 L668 | V356-L533 HydrophobicContact CG1-CD2 3.91Å; V356-L533 HydrophobicContact CG1-CG 4.38Å; I503-L533 HydrophobicContact CD1-CD2 3.33Å; I503-L533 HydrophobicContact CG1-CD2 4.35Å; A529-L533 PolarHBondContact O-N 2.73Å; L530-L533 HydrophobicContact CD2-CD2 4.22Å; L530-L533 WeakPolarHBondContact O-CB 3.36Å; L530-L533 PolarHBondContact O-N 3.09Å; L533-D535 VanDerWaalsContact C-N 3.33Å; L533-D535 PolarHBondContact O-N 3.47Å; L533-Q536 PolarHBondContact O-N 3.35Å; L533-I537 HydrophobicContact CG-CD1 4.25Å; L533-I537 VanDerWaalsContact O-CG1 3.28Å; L533-I537 WeakPolarHBondContact O-CG1 3.36Å; L533-I537 PolarHBondContact O-N 3.44Å; L533-V667 HydrophobicContact CD1-CG1 4.41Å; L533-V667 HydrophobicContact CD2-CG1 4.14Å; L533-L668 HydrophobicContact CD1-CD2 3.68Å; L533-L668 HydrophobicContact CD1-CG 4.06Å |
| 534 | S | 98.1 | Very high | 98.2 | Very high | 6 Ų | 6 | 44 Ų | 44 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.4 | -45.9 | 175.8 | 164.5 | 0 | 0 | 0 | 0 | 112 | K532 I537 R538 | K532-S534 PolarHBondContact O-N 3.18Å; S534-I537 PolarHBondContact O-N 3.16Å; S534-R538 WeakPolarHBondContact O-CG 3.44Å; S534-R538 PolarHBondContact O-N 2.86Å |
| 535 | D | 98.5 | Very high | 98.2 | Very high | 110 Ų | 110 | 44.5 Ų | 44.5 | 59% | 0.588 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -71.2 | -34.6 | -178.4 | -66.8 | -22 | 0 | 0 | 0 | 111.9 | K532 L533 R538 S539 | K532-D535 PolarHBondContact O-N 3.45Å; K532-D535 VanDerWaalsContact O-N 3.15Å; L533-D535 VanDerWaalsContact C-N 3.33Å; L533-D535 PolarHBondContact O-N 3.47Å; D535-R538 PolarHBondContact O-N 3.24Å; D535-S539 PolarHBondContact O-N 3.48Å |
| 536 | Q | 98.6 | Very high | 98.2 | Very high | 28 Ų | 28 | 45.6 Ų | 45.6 | 13% | 0.131 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.9 | -39 | 172 | -66.7 | -179.2 | -43.3 | 0 | 0 | 112 | K532 L533 S539 I540 P658 E659 L668 | K532-Q536 WeakPolarHBondContact O-CG 3.45Å; K532-Q536 PolarHBondContact O-N 3.02Å; K532-Q536 VanDerWaalsContact O-N 3.12Å; L533-Q536 PolarHBondContact O-N 3.35Å; Q536-S539 PolarHBondContact O-N 2.98Å; Q536-S539 PolarHBondContact O-OG 3.39Å; Q536-I540 WeakPolarHBondContact O-CG1 3.36Å; Q536-I540 PolarHBondContact O-N 2.84Å; Q536-P658 HydrophobicContact CB-CB 4.31Å; Q536-P658 HydrophobicContact CB-CG 4.25Å; Q536-P658 HydrophobicContact CG-CB 4.07Å; Q536-P658 HydrophobicContact CG-CG 4.41Å; Q536-E659 PolarHBondContact NE2-O 2.88Å; Q536-L668 HydrophobicContact CB-CD1 4.09Å; Q536-L668 HydrophobicContact CB-CD2 3.8Å |
| 537 | I | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.7 | -45.7 | 172.8 | -66.9 | 171.4 | 0 | 0 | 0 | 109.7 | Q352 P353 V356 L533 S534 S539 I540 L541 V667 L668 I671 | Q352-I537 HydrophobicContact CB-CG2 4Å; P353-I537 HydrophobicContact CG-CB 4.23Å; P353-I537 HydrophobicContact CG-CG2 3.63Å; V356-I537 HydrophobicContact CB-CD1 4.38Å; V356-I537 HydrophobicContact CG2-CD1 3.87Å; L533-I537 HydrophobicContact CG-CD1 4.25Å; L533-I537 VanDerWaalsContact O-CG1 3.28Å; L533-I537 WeakPolarHBondContact O-CG1 3.36Å; L533-I537 PolarHBondContact O-N 3.44Å; S534-I537 PolarHBondContact O-N 3.16Å; I537-S539 VanDerWaalsContact C-N 3.28Å; I537-S539 PolarHBondContact O-N 3.23Å; I537-I540 PolarHBondContact O-N 2.89Å; I537-I540 VanDerWaalsContact O-N 3.14Å; I537-L541 HydrophobicContact CG2-CD1 4.06Å; I537-L541 HydrophobicContact CG2-CG 4.3Å; I537-L541 WeakPolarHBondContact O-CG 3.49Å; I537-L541 PolarHBondContact O-N 3.31Å; I537-V667 HydrophobicContact CD1-CG1 4.37Å; I537-L668 HydrophobicContact CG1-CD2 3.89Å; I537-I671 HydrophobicContact CB-CD1 4.14Å; I537-I671 HydrophobicContact CD1-CD1 4.39Å; I537-I671 HydrophobicContact CG1-CD1 3.72Å; I537-I671 HydrophobicContact CG2-CD1 3.72Å |
| 538 | R | 98.6 | Very high | 98.2 | Very high | 102 Ų | 102 | 49.1 Ų | 49.1 | 39% | 0.385 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.9 | -36.9 | 176.7 | -69.9 | -175 | -165.2 | -72.5 | -1.5 | 112.7 | P353 E354 S534 D535 K542 | P353-R538 HydrophobicContact CB-CG 3.82Å; P353-R538 HydrophobicContact CG-CG 3.6Å; E354-R538 IonicContact OE1-CZ 3.89Å; E354-R538 IonicContact OE1-NH1 2.85Å; E354-R538 PolarHBondContact OE1-NH1 3.23Å; E354-R538 IonicContact OE1-NH2 3.63Å; E354-R538 PolarHBondContact OE1-NH2 2.77Å; S534-R538 WeakPolarHBondContact O-CG 3.44Å; S534-R538 PolarHBondContact O-N 2.86Å; D535-R538 PolarHBondContact O-N 3.24Å; R538-K542 WeakPolarHBondContact O-CG 3.41Å; R538-K542 PolarHBondContact O-N 2.87Å |
| 539 | S | 98.3 | Very high | 98.2 | Very high | 38 Ų | 38 | 49.5 Ų | 49.5 | 27% | 0.266 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.1 | -37.8 | 177.5 | 72.6 | 0 | 0 | 0 | 0 | 112 | D535 Q536 I537 K542 P658 | D535-S539 PolarHBondContact O-N 3.48Å; Q536-S539 PolarHBondContact O-N 2.98Å; Q536-S539 PolarHBondContact O-OG 3.39Å; I537-S539 VanDerWaalsContact C-N 3.28Å; I537-S539 PolarHBondContact O-N 3.23Å; S539-K542 WeakPolarHBondContact O-CB 3.18Å; S539-K542 PolarHBondContact O-N 3.35Å; S539-P658 WeakPolarHBondContact OG-CG 3.35Å |
| 540 | I | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.6 | -40.8 | 175.5 | -63.1 | 171.2 | 0 | 0 | 0 | 111.4 | Q536 I537 K542 L543 I657 P658 L668 I671 P672 | Q536-I540 WeakPolarHBondContact O-CG1 3.36Å; Q536-I540 PolarHBondContact O-N 2.84Å; I537-I540 PolarHBondContact O-N 2.89Å; I537-I540 VanDerWaalsContact O-N 3.14Å; I540-K542 PolarHBondContact O-N 2.93Å; I540-K542 VanDerWaalsContact O-N 3.16Å; I540-L543 WeakPolarHBondContact O-CB 3.43Å; I540-L543 WeakPolarHBondContact O-CG 3.48Å; I540-L543 PolarHBondContact O-N 3.26Å; I540-I657 HydrophobicContact CD1-CB 4Å; I540-I657 HydrophobicContact CD1-CG2 3.97Å; I540-I657 HydrophobicContact CG1-CB 4.22Å; I540-I657 HydrophobicContact CG1-CG2 4.03Å; I540-I657 HydrophobicContact CG2-CG2 4.46Å; I540-P658 HydrophobicContact CG1-CG 4.46Å; I540-L668 HydrophobicContact CD1-CB 3.64Å; I540-L668 HydrophobicContact CD1-CD2 3.77Å; I540-L668 HydrophobicContact CD1-CG 4.17Å; I540-I671 HydrophobicContact CG2-CB 4.1Å; I540-I671 HydrophobicContact CG2-CG2 3.82Å; I540-P672 HydrophobicContact CG2-CG 3.89Å |
| 541 | L | 98.5 | Very high | 98.1 | Very high | 15 Ų | 15 | 49.5 Ų | 49.5 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.3 | -23.2 | 177.7 | -68.4 | 174.4 | 0 | 0 | 0 | 112.7 | I349 F350 P353 I537 L543 D544 I671 L675 | I349-L541 HydrophobicContact CG2-CD2 3.87Å; F350-L541 HydrophobicContact CD1-CB 4.44Å; F350-L541 HydrophobicContact CD1-CD1 4.33Å; F350-L541 HydrophobicContact CD1-CD2 4.42Å; F350-L541 HydrophobicContact CD2-CD2 4.47Å; F350-L541 HydrophobicContact CE1-CB 4.34Å; F350-L541 HydrophobicContact CG-CD2 4.38Å; P353-L541 HydrophobicContact CG-CD1 3.85Å; I537-L541 HydrophobicContact CG2-CD1 4.06Å; I537-L541 HydrophobicContact CG2-CG 4.3Å; I537-L541 WeakPolarHBondContact O-CG 3.49Å; I537-L541 PolarHBondContact O-N 3.31Å; L541-L543 PolarHBondContact O-N 2.99Å; L541-D544 WeakPolarHBondContact O-CB 3.3Å; L541-D544 PolarHBondContact O-N 3.47Å; L541-I671 HydrophobicContact CD2-CG2 3.85Å; L541-L675 HydrophobicContact CD2-CD1 4.27Å |
| 542 | K | 98.2 | Very high | 98.1 | Very high | 165 Ų | 165 | 50.9 Ų | 50.9 | 72% | 0.717 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -16.9 | 172.5 | -65.7 | 171.3 | -175.1 | 177.7 | 0 | 113.2 | R538 S539 I540 D544 | R538-K542 WeakPolarHBondContact O-CG 3.41Å; R538-K542 PolarHBondContact O-N 2.87Å; S539-K542 WeakPolarHBondContact O-CB 3.18Å; S539-K542 PolarHBondContact O-N 3.35Å; I540-K542 PolarHBondContact O-N 2.93Å; I540-K542 VanDerWaalsContact O-N 3.16Å; K542-D544 PolarHBondContact O-N 3.31Å |
| 543 | L | 97.6 | Very high | 98 | Very high | 47 Ų | 47 | 50.1 Ų | 50.1 | 25% | 0.246 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -0.4 | 175.9 | -54.5 | 177.1 | 0 | 0 | 0 | 112.8 | I540 L541 S545 T546 L547 I655 Q656 | I540-L543 WeakPolarHBondContact O-CB 3.43Å; I540-L543 WeakPolarHBondContact O-CG 3.48Å; I540-L543 PolarHBondContact O-N 3.26Å; L541-L543 PolarHBondContact O-N 2.99Å; L543-S545 PolarHBondContact O-N 3.28Å; L543-T546 WeakPolarHBondContact O-CB 3.46Å; L543-T546 PolarHBondContact O-N 3.3Å; L543-L547 HydrophobicContact CB-CD1 4.33Å; L543-L547 HydrophobicContact CB-CG 4.31Å; L543-L547 WeakPolarHBondContact O-CG 3.44Å; L543-L547 PolarHBondContact O-N 2.92Å; L543-I655 HydrophobicContact CD1-CG2 4.22Å; L543-Q656 WeakPolarHBondContact CD1-O 3.26Å |
| 544 | D | 98.1 | Very high | 97.9 | Very high | 31 Ų | 31 | 50.6 Ų | 50.6 | 17% | 0.166 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -48.4 | -52.1 | -175.7 | -176.2 | 59.6 | 0 | 0 | 0 | 113.7 | F350 L541 K542 T546 L547 Q548 H679 | F350-D544 HydrophobicContact CZ-CB 3.91Å; L541-D544 WeakPolarHBondContact O-CB 3.3Å; L541-D544 PolarHBondContact O-N 3.47Å; K542-D544 PolarHBondContact O-N 3.31Å; D544-T546 PolarHBondContact O-N 3.43Å; D544-L547 PolarHBondContact O-N 3.1Å; D544-L547 VanDerWaalsContact O-N 3.15Å; D544-Q548 WeakPolarHBondContact O-CB 3.5Å; D544-Q548 PolarHBondContact O-N 3.37Å; D544-H679 IonicContact OD1-CD2 2.82Å; D544-H679 IonicContact OD1-CE1 2.76Å; D544-H679 PolarHBondContact OD1-CE1 2.83Å; D544-H679 IonicContact OD1-NE2 3.4Å; D544-H679 PolarHBondContact OD1-NE2 2.94Å; D544-H679 IonicContact OD2-NE2 2.91Å |
| 545 | S | 97.8 | Very high | 97.8 | Very high | 72 Ų | 72 | 53 Ų | 53 | 50% | 0.503 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.5 | -42.9 | 178.1 | 56 | 0 | 0 | 0 | 0 | 112.9 | L543 L547 Q548 E549 | L543-S545 PolarHBondContact O-N 3.28Å; S545-L547 PolarHBondContact O-N 2.86Å; S545-Q548 WeakPolarHBondContact O-CB 3.44Å; S545-Q548 PolarHBondContact O-N 3.48Å; S545-E549 PolarHBondContact O-N 2.9Å |
| 546 | T | 97.8 | Very high | 97.6 | Very high | 63 Ų | 63 | 54.5 Ų | 54.5 | 39% | 0.387 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 175.7 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | L543 D544 E549 L550 F653 | L543-T546 WeakPolarHBondContact O-CB 3.46Å; L543-T546 PolarHBondContact O-N 3.3Å; D544-T546 PolarHBondContact O-N 3.43Å; T546-E549 PolarHBondContact O-N 2.98Å; T546-L550 PolarHBondContact O-N 2.87Å; T546-F653 HydrophobicContact CG2-CE1 4.21Å; T546-F653 HydrophobicContact CG2-CZ 3.56Å |
| 547 | L | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.8 | -31 | 177.8 | -64.9 | 177.9 | 0 | 0 | 0 | 112.1 | L543 D544 S545 L550 A551 I655 P672 L675 I676 | L543-L547 HydrophobicContact CB-CD1 4.33Å; L543-L547 HydrophobicContact CB-CG 4.31Å; L543-L547 WeakPolarHBondContact O-CG 3.44Å; L543-L547 PolarHBondContact O-N 2.92Å; D544-L547 PolarHBondContact O-N 3.1Å; D544-L547 VanDerWaalsContact O-N 3.15Å; S545-L547 PolarHBondContact O-N 2.86Å; L547-L550 HydrophobicContact CD2-CD2 4.36Å; L547-L550 PolarHBondContact O-N 2.97Å; L547-A551 WeakPolarHBondContact O-CB 3.42Å; L547-A551 PolarHBondContact O-N 2.8Å; L547-I655 HydrophobicContact CD2-CD1 3.66Å; L547-I655 HydrophobicContact CD2-CG1 3.87Å; L547-I655 HydrophobicContact CD2-CG2 4.12Å; L547-P672 HydrophobicContact CD1-CB 4.03Å; L547-P672 HydrophobicContact CD2-CB 4.48Å; L547-L675 HydrophobicContact CD1-CB 3.76Å; L547-L675 HydrophobicContact CD1-CD1 3.66Å; L547-L675 HydrophobicContact CD1-CG 4.37Å; L547-I676 HydrophobicContact CB-CG1 4.42Å; L547-I676 HydrophobicContact CD2-CD1 4.16Å; L547-I676 HydrophobicContact CD2-CG1 4.08Å |
| 548 | Q | 98.1 | Very high | 97.3 | Very high | 76 Ų | 76 | 65 Ų | 65 | 36% | 0.355 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.9 | -46 | 171.1 | -171.7 | -178.1 | 22.6 | 0 | 0 | 111.3 | D544 S545 L550 A551 K552 | D544-Q548 WeakPolarHBondContact O-CB 3.5Å; D544-Q548 PolarHBondContact O-N 3.37Å; S545-Q548 WeakPolarHBondContact O-CB 3.44Å; S545-Q548 PolarHBondContact O-N 3.48Å; Q548-L550 VanDerWaalsContact C-N 3.34Å; Q548-L550 PolarHBondContact O-N 3.05Å; Q548-A551 WeakPolarHBondContact O-CB 3.3Å; Q548-A551 PolarHBondContact O-N 2.81Å; Q548-K552 WeakPolarHBondContact O-CG 3.48Å; Q548-K552 PolarHBondContact O-N 3.41Å; Q548-K552 VanDerWaalsContact O-N 3.15Å |
| 549 | E | 98 | Very high | 97.2 | Very high | 104 Ų | 104 | 62.9 Ų | 62.9 | 49% | 0.486 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 174.7 | -68.2 | -51.3 | 132.1 | 0 | 0 | 111.8 | S545 T546 A551 K552 | S545-E549 PolarHBondContact O-N 2.9Å; T546-E549 PolarHBondContact O-N 2.98Å; E549-A551 PolarHBondContact O-N 3.14Å; E549-K552 WeakPolarHBondContact O-CB 3.22Å; E549-K552 PolarHBondContact O-N 3.17Å; E549-K552 IonicContact OE1-NZ 3.83Å; E549-K552 PolarHBondContact OE1-NZ 3.49Å; E549-K552 IonicContact OE2-NZ 3.17Å; E549-K552 PolarHBondContact OE2-NZ 3.14Å |
| 550 | L | 97.1 | Very high | 97.2 | Very high | 8 Ų | 8 | 61 Ų | 61 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 173.5 | 178.3 | 63.9 | 0 | 0 | 0 | 111.5 | T546 L547 Q548 K552 T553 I637 F653 I655 I676 | T546-L550 PolarHBondContact O-N 2.87Å; L547-L550 HydrophobicContact CD2-CD2 4.36Å; L547-L550 PolarHBondContact O-N 2.97Å; Q548-L550 VanDerWaalsContact C-N 3.34Å; Q548-L550 PolarHBondContact O-N 3.05Å; L550-K552 VanDerWaalsContact C-N 3.26Å; L550-K552 PolarHBondContact O-N 2.85Å; L550-T553 WeakPolarHBondContact O-CB 3.29Å; L550-T553 PolarHBondContact O-N 3.36Å; L550-T553 PolarHBondContact O-OG1 3.48Å; L550-I637 HydrophobicContact CD1-CD1 3.8Å; L550-I637 HydrophobicContact CD1-CG1 4.17Å; L550-I637 HydrophobicContact CD2-CD1 4.29Å; L550-I637 HydrophobicContact CD2-CG2 3.93Å; L550-I637 HydrophobicContact CG-CD1 4.34Å; L550-F653 HydrophobicContact CD1-CB 4.28Å; L550-F653 HydrophobicContact CD1-CD1 4.17Å; L550-F653 HydrophobicContact CD1-CD2 4.22Å; L550-F653 HydrophobicContact CD1-CG 3.96Å; L550-F653 HydrophobicContact CD2-CD1 3.96Å; L550-F653 HydrophobicContact CD2-CE1 4.1Å; L550-I655 HydrophobicContact CD2-CD1 3.89Å; L550-I655 HydrophobicContact CD2-CG1 4.37Å; L550-I676 HydrophobicContact CD2-CD1 4.03Å; L550-I676 HydrophobicContact CD2-CG1 4.43Å |
| 551 | A | 97.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57 | -38.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | L547 Q548 E549 T553 I554 Y555 H679 I680 | L547-A551 WeakPolarHBondContact O-CB 3.42Å; L547-A551 PolarHBondContact O-N 2.8Å; Q548-A551 WeakPolarHBondContact O-CB 3.3Å; Q548-A551 PolarHBondContact O-N 2.81Å; E549-A551 PolarHBondContact O-N 3.14Å; A551-T553 PolarHBondContact O-N 3.43Å; A551-T553 VanDerWaalsContact O-N 3.16Å; A551-I554 PolarHBondContact O-N 3.28Å; A551-I554 VanDerWaalsContact O-N 3.12Å; A551-Y555 WeakPolarHBondContact O-CB 3.42Å; A551-Y555 PolarHBondContact O-N 2.86Å; A551-H679 HydrophobicContact CB-CB 3.49Å; A551-H679 VanDerWaalsContact CB-CB 3.49Å; A551-I680 HydrophobicContact CB-CG1 3.85Å |
| 552 | K | 97.3 | Very high | 97.1 | Very high | 84 Ų | 84 | 61 Ų | 61 | 37% | 0.365 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.5 | -24.2 | 174.9 | -67.4 | 173 | -174.1 | 170.5 | 0 | 113.7 | Q548 E549 L550 Y555 | Q548-K552 WeakPolarHBondContact O-CG 3.48Å; Q548-K552 PolarHBondContact O-N 3.41Å; Q548-K552 VanDerWaalsContact O-N 3.15Å; E549-K552 WeakPolarHBondContact O-CB 3.22Å; E549-K552 PolarHBondContact O-N 3.17Å; E549-K552 IonicContact OE1-NZ 3.83Å; E549-K552 PolarHBondContact OE1-NZ 3.49Å; E549-K552 IonicContact OE2-NZ 3.17Å; E549-K552 PolarHBondContact OE2-NZ 3.14Å; L550-K552 VanDerWaalsContact C-N 3.26Å; L550-K552 PolarHBondContact O-N 2.85Å; K552-Y555 WeakPolarHBondContact O-CD1 3.47Å; K552-Y555 WeakPolarHBondContact O-CE1 3.33Å |
| 553 | T | 95.9 | Very high | 97.1 | Very high | 101 Ų | 101 | 53.2 Ų | 53.2 | 62% | 0.62 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -83.1 | -25.3 | 178 | 71.5 | 0 | 0 | 0 | 0 | 113.4 | L550 A551 | L550-T553 WeakPolarHBondContact O-CB 3.29Å; L550-T553 PolarHBondContact O-N 3.36Å; L550-T553 PolarHBondContact O-OG1 3.48Å; A551-T553 PolarHBondContact O-N 3.43Å; A551-T553 VanDerWaalsContact O-N 3.16Å |
| 554 | I | 95.8 | Very high | 97.1 | Very high | 10 Ų | 10 | 51 Ų | 51 | 5% | 0.051 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -116 | -7.9 | -172.8 | 60.8 | 175 | 0 | 0 | 0 | 114.3 | A551 M556 K557 I560 T608 I637 I676 I680 | A551-I554 PolarHBondContact O-N 3.28Å; A551-I554 VanDerWaalsContact O-N 3.12Å; I554-M556 PolarHBondContact O-N 2.89Å; I554-K557 HydrophobicContact CB-CG 4.45Å; I554-K557 VanDerWaalsContact O-CB 3.32Å; I554-K557 WeakPolarHBondContact O-CB 3.5Å; I554-K557 WeakPolarHBondContact O-CG 3.2Å; I554-K557 PolarHBondContact O-N 2.97Å; I554-I560 HydrophobicContact CD1-CD1 4.32Å; I554-T608 HydrophobicContact CB-CG2 4.28Å; I554-T608 HydrophobicContact CG2-CG2 3.85Å; I554-I637 HydrophobicContact CD1-CD1 4.15Å; I554-I637 HydrophobicContact CG2-CD1 4.2Å; I554-I676 HydrophobicContact CD1-CG2 4.11Å; I554-I680 HydrophobicContact CD1-CD1 3.87Å; I554-I680 HydrophobicContact CG1-CD1 3.91Å; I554-I680 HydrophobicContact CG1-CG1 4.37Å |
| 555 | Y | 96.5 | Very high | 96.9 | Very high | 56 Ų | 56 | 51.7 Ų | 51.7 | 22% | 0.22 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -21.1 | -174.7 | 84.1 | -75.7 | 0 | 0 | 0 | 114.4 | A551 K552 Q683 R684 | A551-Y555 WeakPolarHBondContact O-CB 3.42Å; A551-Y555 PolarHBondContact O-N 2.86Å; K552-Y555 WeakPolarHBondContact O-CD1 3.47Å; K552-Y555 WeakPolarHBondContact O-CE1 3.33Å; Y555-Q683 HydrophobicContact CD1-CG 3.78Å; Y555-Q683 HydrophobicContact CD2-CB 4.2Å; Y555-Q683 HydrophobicContact CD2-CG 3.53Å; Y555-Q683 HydrophobicContact CE1-CG 4.11Å; Y555-Q683 HydrophobicContact CE2-CG 3.85Å; Y555-Q683 HydrophobicContact CG-CB 4.17Å; Y555-Q683 HydrophobicContact CG-CG 3.47Å; Y555-Q683 VanDerWaalsContact CG-CG 3.47Å; Y555-R684 HydrophobicContact CD2-CG 4.08Å; Y555-R684 PolarHBondContact O-NE 3.01Å; Y555-R684 PolarHBondContact O-NH2 3.1Å |
| 556 | M | 95.6 | Very high | 96.8 | Very high | 141 Ų | 141 | 50 Ų | 50 | 70% | 0.695 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -5.9 | 177 | -72.9 | -66.6 | -162.4 | 0 | 0 | 113.7 | I554 | I554-M556 PolarHBondContact O-N 2.89Š|
| 557 | K | 95 | Very high | 96.7 | Very high | 67 Ų | 67 | 47.5 Ų | 47.5 | 29% | 0.291 | 24% | 0.239 | S | C | . | . | trans | -67.7 | 152.9 | 179.2 | -65 | -74.5 | -171.7 | 170.4 | 0 | 110.2 | I554 M585 E606 T608 R684 | I554-K557 HydrophobicContact CB-CG 4.45Å; I554-K557 VanDerWaalsContact O-CB 3.32Å; I554-K557 WeakPolarHBondContact O-CB 3.5Å; I554-K557 WeakPolarHBondContact O-CG 3.2Å; I554-K557 PolarHBondContact O-N 2.97Å; K557-M585 HydrophobicContact CB-CE 3.88Å; K557-M585 WeakPolarHBondContact O-CE 3.48Å; K557-E606 PolarHBondContact NZ-O 2.99Å; K557-E606 VanDerWaalsContact NZ-O 3.07Å; K557-E606 IonicContact NZ-OE2 2.77Å; K557-T608 VanDerWaalsContact CD-OG1 3.26Å; K557-T608 WeakPolarHBondContact CD-OG1 3.45Å; K557-T608 WeakPolarHBondContact CE-OG1 3.34Å; K557-T608 VanDerWaalsContact CG-OG1 3.28Å; K557-T608 WeakPolarHBondContact CG-OG1 3.31Å; K557-R684 PolarHBondContact O-NH2 2.96Å | ||
| 558 | K | 94.8 | Very high | 96.7 | Very high | 183 Ų | 183 | 47.6 Ų | 47.6 | 80% | 0.796 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -91 | -33 | 179.2 | -67.9 | -177.1 | 178.5 | 179.2 | 0 | 112.6 | H586 | K558-H586 PolarHBondContact O-N 2.9Š|
| 559 | S | 96.8 | Very high | 96.7 | Very high | 56 Ų | 56 | 47.2 Ų | 47.2 | 39% | 0.392 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 144.6 | -174.9 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | H586 | S559-H586 CarbonylContact C-O 3.47Å; S559-H586 WeakPolarHBondContact CA-O 3.38Å |
| 560 | I | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 128.8 | 172.7 | -68.8 | 169.5 | 0 | 0 | 0 | 108.6 | I554 V562 L579 M585 H586 A587 E588 T608 I610 I680 | I554-I560 HydrophobicContact CD1-CD1 4.32Å; I560-V562 HydrophobicContact CG2-CG2 4.05Å; I560-L579 HydrophobicContact CB-CD1 4.25Å; I560-L579 HydrophobicContact CD1-CD1 4.13Å; I560-L579 HydrophobicContact CD1-CD2 4.13Å; I560-L579 HydrophobicContact CG2-CD1 3.93Å; I560-M585 HydrophobicContact CD1-CE 3.25Å; I560-M585 HydrophobicContact CD1-SD 4.1Å; I560-M585 HydrophobicContact CG1-CE 3.45Å; I560-M585 VanDerWaalsContact CG1-CE 3.45Å; I560-H586 PolarHBondContact N-O 3.38Å; I560-A587 HydrophobicContact CB-CB 4.49Å; I560-A587 VanDerWaalsContact O-CA 3.24Å; I560-A587 WeakPolarHBondContact O-CA 3.49Å; I560-E588 PolarHBondContact O-N 3.07Å; I560-E588 VanDerWaalsContact O-N 3.12Å; I560-T608 WeakPolarHBondContact CA-O 2.95Å; I560-T608 HydrophobicContact CD1-CG2 4.49Å; I560-T608 HydrophobicContact CG1-CG2 3.83Å; I560-I610 HydrophobicContact CG2-CD1 3.98Å; I560-I610 HydrophobicContact CG2-CG1 4.07Å; I560-I680 HydrophobicContact CD1-CD1 4.28Å |
| 561 | L | 97.8 | Very high | 96.7 | Very high | 16 Ų | 16 | 42 Ų | 42 | 8% | 0.084 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 127 | 171.1 | -56.5 | 178.9 | 0 | 0 | 0 | 109.2 | M563 E588 I590 M602 I603 T608 I609 I610 | L561-M563 HydrophobicContact CB-CE 3.87Å; L561-M563 HydrophobicContact CD1-CE 3.94Å; L561-E588 HydrophobicContact CD2-CB 4.22Å; L561-I590 HydrophobicContact CB-CD1 4.47Å; L561-I590 HydrophobicContact CD1-CD1 4.45Å; L561-I590 HydrophobicContact CD2-CD1 3.92Å; L561-M602 HydrophobicContact CD1-CB 4.28Å; L561-M602 HydrophobicContact CD1-CE 4.11Å; L561-M602 HydrophobicContact CD2-CE 3.83Å; L561-I603 HydrophobicContact CD1-CD1 3.51Å; L561-T608 PolarHBondContact N-O 3.19Å; L561-I609 HydrophobicContact CB-CG1 4.49Å; L561-I609 CarbonylContact O-C 3.57Å; L561-I609 WeakPolarHBondContact O-CA 3.04Å; L561-I610 PolarHBondContact O-N 3.14Å |
| 562 | V | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 122.5 | 178.3 | -168.8 | 0 | 0 | 0 | 0 | 108.9 | I560 C572 A576 L579 E588 G589 I590 I610 L673 | I560-V562 HydrophobicContact CG2-CG2 4.05Å; V562-C572 HydrophobicContact CB-CB 4.43Å; V562-C572 HydrophobicContact CG1-CB 3.99Å; V562-A576 HydrophobicContact CG2-CB 4.24Å; V562-L579 HydrophobicContact CG2-CD1 4.01Å; V562-E588 PolarHBondContact N-O 3.28Å; V562-G589 CarbonylContact O-C 3.51Å; V562-G589 WeakPolarHBondContact O-CA 3.28Å; V562-I590 PolarHBondContact O-N 3.17Å; V562-I610 CarbonylContact C-O 3.58Å; V562-I610 VanDerWaalsContact CA-O 3.31Å; V562-I610 WeakPolarHBondContact CA-O 3.21Å; V562-L673 HydrophobicContact CG1-CD1 4.37Å; V562-L673 HydrophobicContact CG1-CD2 4.32Å |
| 563 | M | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 138 | -167.5 | -59 | -179.2 | 177.9 | 0 | 0 | 113.8 | L561 I590 L595 I603 I609 I610 M611 I612 I629 | L561-M563 HydrophobicContact CB-CE 3.87Å; L561-M563 HydrophobicContact CD1-CE 3.94Å; M563-I590 WeakPolarHBondContact CA-O 3.41Å; M563-I590 HydrophobicContact CE-CD1 4.37Å; M563-I590 HydrophobicContact CG-CB 4.37Å; M563-L595 HydrophobicContact CE-CD2 3.51Å; M563-L595 HydrophobicContact SD-CD1 4.14Å; M563-L595 HydrophobicContact SD-CD2 3.65Å; M563-L595 HydrophobicContact SD-CG 4.47Å; M563-I603 HydrophobicContact CE-CD1 3.64Å; M563-I609 HydrophobicContact CE-CG2 4.18Å; M563-I609 HydrophobicContact CG-CG2 4.43Å; M563-I609 HydrophobicContact SD-CG2 3.92Å; M563-I610 PolarHBondContact N-O 2.8Å; M563-M611 HydrophobicContact CB-CG 4.24Å; M563-M611 CarbonylContact O-C 3.48Å; M563-M611 WeakPolarHBondContact O-CA 3.46Å; M563-I612 PolarHBondContact O-N 2.71Å; M563-I629 HydrophobicContact CE-CD1 4.4Å; M563-I629 HydrophobicContact SD-CD1 3.42Å; M563-I629 WeakPolarHBondContact SD-CD1 3.49Å; M563-I629 HydrophobicContact SD-CG1 4.38Å |
| 564 | G | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.2 | 175.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | C572 I590 M591 S592 | G564-C572 WeakPolarHBondContact CA-SG 3.38Å; G564-C572 PolarHBondContact N-SG 2.81Å; G564-I590 PolarHBondContact N-O 3.36Å; G564-M591 CarbonylContact O-C 3.59Å; G564-M591 WeakPolarHBondContact O-CA 3.42Å; G564-S592 PolarHBondContact O-N 3.27Å |
| 565 | R | 95.2 | Very high | 97 | Very high | 46 Ų | 46 | 34 Ų | 34 | 17% | 0.174 | 17% | 0.168 | C | C | . | . | trans | -150.3 | 165.1 | -176.1 | 66.8 | -176.7 | -55.5 | 142.8 | 4.4 | 111.2 | Y567 N568 L618 K621 T622 | R565-Y567 PolarHBondContact O-N 2.97Å; R565-N568 PolarHBondContact O-N 3.32Å; R565-L618 HydrophobicContact CG-CB 4.23Å; R565-L618 HydrophobicContact CG-CD1 4.09Å; R565-K621 VanDerWaalsContact NH1-CB 3.31Å; R565-T622 WeakPolarHBondContact CD-OG1 3.41Å; R565-T622 HydrophobicContact CG-CG2 4.39Å; R565-T622 VanDerWaalsContact CG-OG1 3.3Å; R565-T622 WeakPolarHBondContact CG-OG1 3.41Å | ||
| 566 | G | 95.5 | Very high | 97.1 | Very high | 38 Ų | 38 | 31.4 Ų | 31.4 | 39% | 0.392 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | -132.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | N568 Y569 | G566-N568 PolarHBondContact O-N 3.15Å; G566-N568 VanDerWaalsContact O-N 3.16Å; G566-Y569 WeakPolarHBondContact O-CB 3.42Å; G566-Y569 PolarHBondContact O-N 3.28Å |
| 567 | Y | 96.1 | Very high | 97.3 | Very high | 9 Ų | 9 | 25.9 Ų | 25.9 | 4% | 0.035 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.5 | 178.1 | -70.9 | -67.9 | 0 | 0 | 0 | 113.2 | A406 L407 R565 D662 C663 | A406-Y567 HydrophobicContact CB-CE1 3.9Å; L407-Y567 HydrophobicContact CB-CE1 4.16Å; R565-Y567 PolarHBondContact O-N 2.97Å; Y567-D662 HydrophobicContact CD2-CB 3.96Å; Y567-D662 WeakPolarHBondContact CD2-O 3.49Å; Y567-D662 HydrophobicContact CE2-CB 3.93Å; Y567-D662 WeakPolarHBondContact CE2-OD2 3.21Å; Y567-C663 HydrophobicContact CD1-CB 4.19Å; Y567-C663 HydrophobicContact CE1-CB 3.66Å; Y567-C663 HydrophobicContact CE2-CB 4.29Å |
| 568 | N | 97.2 | Very high | 97.4 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -86.9 | -0.7 | 179.5 | -66.3 | -51.4 | 0 | 0 | 0 | 114 | R565 G566 T571 C572 I612 T614 | R565-N568 PolarHBondContact O-N 3.32Å; G566-N568 PolarHBondContact O-N 3.15Å; G566-N568 VanDerWaalsContact O-N 3.16Å; N568-T571 WeakPolarHBondContact O-CB 3.47Å; N568-T571 PolarHBondContact O-N 3.14Å; N568-C572 PolarHBondContact O-N 2.91Å; N568-C572 VanDerWaalsContact O-N 3.12Å; N568-C572 PolarHBondContact O-SG 3.29Å; N568-I612 HydrophobicContact CB-CB 4.15Å; N568-I612 HydrophobicContact CB-CD1 4.34Å; N568-I612 HydrophobicContact CB-CG2 3.84Å; N568-I612 VanDerWaalsContact CG-CG2 3.49Å; N568-T614 PolarHBondContact ND2-OG1 2.78Å |
| 569 | Y | 97.9 | Very high | 97.6 | Very high | 68 Ų | 68 | 14.1 Ų | 14.1 | 27% | 0.267 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -62.9 | -46.7 | 176.1 | 176.1 | -131.8 | 0 | 0 | 0 | 111.3 | V402 G566 T571 C572 L573 M591 | V402-Y569 HydrophobicContact CG1-CD1 4.14Å; V402-Y569 HydrophobicContact CG1-CE1 4.47Å; G566-Y569 WeakPolarHBondContact O-CB 3.42Å; G566-Y569 PolarHBondContact O-N 3.28Å; Y569-T571 VanDerWaalsContact C-N 3.29Å; Y569-T571 PolarHBondContact O-N 3.12Å; Y569-C572 WeakPolarHBondContact O-CB 3.47Å; Y569-C572 PolarHBondContact O-N 3.46Å; Y569-C572 VanDerWaalsContact O-N 3.07Å; Y569-L573 HydrophobicContact CD1-CD1 4.42Å; Y569-L573 HydrophobicContact CD2-CG 4.4Å; Y569-L573 HydrophobicContact CE1-CD1 3.92Å; Y569-L573 HydrophobicContact CE2-CD1 4.16Å; Y569-L573 HydrophobicContact CE2-CD2 3.9Å; Y569-L573 HydrophobicContact CE2-CG 3.97Å; Y569-L573 PolarHBondContact O-N 3.42Å; Y569-L573 VanDerWaalsContact O-N 3.16Å; Y569-M591 HydrophobicContact CD1-CE 3.56Å; Y569-M591 HydrophobicContact CD2-CB 3.85Å; Y569-M591 HydrophobicContact CD2-CE 4.07Å; Y569-M591 HydrophobicContact CD2-CG 4.28Å; Y569-M591 HydrophobicContact CE1-CE 3.67Å; Y569-M591 HydrophobicContact CE2-CB 3.77Å; Y569-M591 HydrophobicContact CE2-CE 4.18Å; Y569-M591 HydrophobicContact CG-CE 3.77Å |
| 570 | A | 97.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.008 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.3 | -38 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V402 A403 C572 L573 E574 | V402-A570 HydrophobicContact CB-CB 4.04Å; V402-A570 HydrophobicContact CG1-CB 3.98Å; A403-A570 HydrophobicContact CB-CB 3.49Å; A403-A570 VanDerWaalsContact CB-CB 3.49Å; A403-A570 VanDerWaalsContact N-CB 3.33Å; A570-C572 PolarHBondContact O-N 3.45Å; A570-L573 PolarHBondContact O-N 3.38Å; A570-E574 WeakPolarHBondContact O-CB 3.27Å; A570-E574 PolarHBondContact O-N 3.27Å |
| 571 | T | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.6 | -34.8 | 174.9 | -51 | 0 | 0 | 0 | 0 | 112.1 | N568 Y569 G575 I612 S666 A669 V670 L673 | N568-T571 WeakPolarHBondContact O-CB 3.47Å; N568-T571 PolarHBondContact O-N 3.14Å; Y569-T571 VanDerWaalsContact C-N 3.29Å; Y569-T571 PolarHBondContact O-N 3.12Å; T571-G575 PolarHBondContact O-N 2.84Å; T571-I612 HydrophobicContact CG2-CD1 3.44Å; T571-I612 VanDerWaalsContact CG2-CD1 3.44Å; T571-S666 WeakPolarHBondContact OG1-CB 3.31Å; T571-A669 HydrophobicContact CG2-CB 4.01Å; T571-V670 HydrophobicContact CG2-CB 3.89Å; T571-V670 HydrophobicContact CG2-CG2 4.29Å; T571-L673 HydrophobicContact CG2-CD1 3.87Å |
| 572 | C | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -70.1 | -45.2 | 175.7 | -60 | 0 | 0 | 0 | 0 | 112.3 | V562 G564 N568 Y569 A570 E574 A576 I612 | V562-C572 HydrophobicContact CB-CB 4.43Å; V562-C572 HydrophobicContact CG1-CB 3.99Å; G564-C572 WeakPolarHBondContact CA-SG 3.38Å; G564-C572 PolarHBondContact N-SG 2.81Å; N568-C572 PolarHBondContact O-N 2.91Å; N568-C572 VanDerWaalsContact O-N 3.12Å; N568-C572 PolarHBondContact O-SG 3.29Å; Y569-C572 WeakPolarHBondContact O-CB 3.47Å; Y569-C572 PolarHBondContact O-N 3.46Å; Y569-C572 VanDerWaalsContact O-N 3.07Å; A570-C572 PolarHBondContact O-N 3.45Å; C572-E574 VanDerWaalsContact C-N 3.32Å; C572-E574 PolarHBondContact O-N 3.17Å; C572-A576 VanDerWaalsContact O-CB 3.28Å; C572-A576 WeakPolarHBondContact O-CB 3.44Å; C572-A576 PolarHBondContact O-N 3.34Å; C572-I612 VanDerWaalsContact SG-CD1 3.59Å |
| 573 | L | 98.4 | Very high | 97.4 | Very high | 30 Ų | 30 | 17.1 Ų | 17.1 | 16% | 0.157 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61 | -43.5 | 176.3 | -61.5 | 178 | 0 | 0 | 0 | 111.1 | H399 Y569 A570 L577 | H399-L573 PolarHBondContact CE1-O 2.9Å; Y569-L573 HydrophobicContact CD1-CD1 4.42Å; Y569-L573 HydrophobicContact CD2-CG 4.4Å; Y569-L573 HydrophobicContact CE1-CD1 3.92Å; Y569-L573 HydrophobicContact CE2-CD1 4.16Å; Y569-L573 HydrophobicContact CE2-CD2 3.9Å; Y569-L573 HydrophobicContact CE2-CG 3.97Å; Y569-L573 PolarHBondContact O-N 3.42Å; Y569-L573 VanDerWaalsContact O-N 3.16Å; A570-L573 PolarHBondContact O-N 3.38Å; L573-L577 WeakPolarHBondContact O-CB 3.2Å; L573-L577 PolarHBondContact O-N 2.86Å |
| 574 | E | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.1 | -45.7 | 179.1 | -179.4 | 55.3 | -159 | 0 | 0 | 112.3 | T396 H399 Y498 A570 C572 A576 L577 K578 V670 | T396-E574 WeakPolarHBondContact CA-OE2 3.33Å; T396-E574 WeakPolarHBondContact CB-OE2 3.15Å; T396-E574 VanDerWaalsContact CG2-OE1 3.32Å; T396-E574 WeakPolarHBondContact CG2-OE1 3.11Å; T396-E574 WeakPolarHBondContact CG2-OE2 3.27Å; T396-E574 PolarHBondContact OG1-OE1 2.97Å; T396-E574 VanDerWaalsContact OG1-OE1 3.06Å; T396-E574 PolarHBondContact OG1-OE2 3.43Å; H399-E574 HydrophobicContact CB-CB 4.37Å; H399-E574 IonicContact CE1-OE2 3.7Å; H399-E574 IonicContact CG-OE2 3.36Å; H399-E574 WeakPolarHBondContact ND1-CA 3.43Å; H399-E574 IonicContact ND1-OE2 3.97Å; H399-E574 PolarHBondContact ND1-OE2 2.94Å; Y498-E574 HydrophobicContact CD1-CG 4.39Å; Y498-E574 HydrophobicContact CD2-CG 4.36Å; Y498-E574 HydrophobicContact CE1-CG 4.23Å; Y498-E574 HydrophobicContact CE2-CB 4.41Å; Y498-E574 HydrophobicContact CE2-CG 4.17Å; Y498-E574 HydrophobicContact CG-CG 4.45Å; A570-E574 WeakPolarHBondContact O-CB 3.27Å; A570-E574 PolarHBondContact O-N 3.27Å; C572-E574 VanDerWaalsContact C-N 3.32Å; C572-E574 PolarHBondContact O-N 3.17Å; E574-A576 VanDerWaalsContact C-N 3.33Å; E574-A576 PolarHBondContact O-N 3.22Å; E574-L577 WeakPolarHBondContact O-CB 2.97Å; E574-L577 PolarHBondContact O-N 3.34Å; E574-L577 VanDerWaalsContact O-N 3.12Å; E574-K578 PolarHBondContact O-N 3.5Å; E574-K578 WeakPolarHBondContact OE1-CD 3.48Å; E574-K578 WeakPolarHBondContact OE1-CE 3.22Å; E574-K578 IonicContact OE1-NZ 2.66Å; E574-V670 HydrophobicContact CB-CG2 4.34Å; E574-V670 HydrophobicContact CG-CG2 3.8Å |
| 575 | G | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.5 | -42.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T571 L577 K578 L579 | T571-G575 PolarHBondContact O-N 2.84Å; G575-L577 VanDerWaalsContact C-N 3.32Å; G575-L577 PolarHBondContact O-N 3.22Å; G575-K578 PolarHBondContact O-N 3.3Å; G575-L579 WeakPolarHBondContact O-CB 3.13Å; G575-L579 WeakPolarHBondContact O-CG 3.42Å; G575-L579 PolarHBondContact O-N 2.87Å |
| 576 | A | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.008 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.8 | -37.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V562 C572 E574 K580 A587 G589 | V562-A576 HydrophobicContact CG2-CB 4.24Å; C572-A576 VanDerWaalsContact O-CB 3.28Å; C572-A576 WeakPolarHBondContact O-CB 3.44Å; C572-A576 PolarHBondContact O-N 3.34Å; E574-A576 VanDerWaalsContact C-N 3.33Å; E574-A576 PolarHBondContact O-N 3.22Å; A576-K580 WeakPolarHBondContact O-CB 3.41Å; A576-K580 WeakPolarHBondContact O-CE 3.34Å; A576-K580 WeakPolarHBondContact O-CG 3.26Å; A576-K580 PolarHBondContact O-N 3.43Å; A576-A587 HydrophobicContact CB-CB 4.23Å; A576-A587 WeakPolarHBondContact O-CB 3.43Å; A576-G589 VanDerWaalsContact CB-N 3.32Å |
| 577 | L | 98.4 | Very high | 97.5 | Very high | 25 Ų | 25 | 21.8 Ų | 21.8 | 13% | 0.131 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.3 | -47 | 175 | -177.6 | 61 | 0 | 0 | 0 | 111.8 | L573 E574 G575 L579 K580 E581 | L573-L577 WeakPolarHBondContact O-CB 3.2Å; L573-L577 PolarHBondContact O-N 2.86Å; E574-L577 WeakPolarHBondContact O-CB 2.97Å; E574-L577 PolarHBondContact O-N 3.34Å; E574-L577 VanDerWaalsContact O-N 3.12Å; G575-L577 VanDerWaalsContact C-N 3.32Å; G575-L577 PolarHBondContact O-N 3.22Å; L577-L579 PolarHBondContact O-N 3.15Å; L577-K580 PolarHBondContact O-N 3Å; L577-E581 HydrophobicContact CD1-CG 4.02Å; L577-E581 WeakPolarHBondContact CD1-OE1 3.35Å; L577-E581 HydrophobicContact CG-CG 4.33Å; L577-E581 WeakPolarHBondContact CG-OE1 3.19Å; L577-E581 WeakPolarHBondContact O-CB 3.48Å; L577-E581 WeakPolarHBondContact O-CG 3.25Å; L577-E581 PolarHBondContact O-N 3.4Å |
| 578 | K | 98.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 176.4 | -66.4 | -51.5 | 88.9 | 169.7 | 0 | 112.3 | T396 A493 E574 G575 K580 E581 L582 | T396-K578 PolarHBondContact OG1-NZ 3.06Å; A493-K578 HydrophobicContact CB-CD 4.1Å; E574-K578 PolarHBondContact O-N 3.5Å; E574-K578 WeakPolarHBondContact OE1-CD 3.48Å; E574-K578 WeakPolarHBondContact OE1-CE 3.22Å; E574-K578 IonicContact OE1-NZ 2.66Å; G575-K578 PolarHBondContact O-N 3.3Å; K578-K580 PolarHBondContact O-N 3.02Å; K578-E581 VanDerWaalsContact CE-OE2 3.26Å; K578-E581 WeakPolarHBondContact CE-OE2 3.16Å; K578-E581 IonicContact NZ-OE1 2.65Å; K578-E581 IonicContact NZ-OE2 3.44Å; K578-E581 PolarHBondContact NZ-OE2 3.26Å; K578-E581 PolarHBondContact O-N 2.8Å; K578-L582 HydrophobicContact CB-CD1 4.29Å; K578-L582 WeakPolarHBondContact O-CB 3.39Å; K578-L582 WeakPolarHBondContact O-CD1 3.3Å; K578-L582 WeakPolarHBondContact O-CG 3.23Å; K578-L582 PolarHBondContact O-N 2.72Å |
| 579 | L | 97.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.4 | -47.8 | 174.8 | -76.5 | 168.1 | 0 | 0 | 0 | 111 | I560 V562 G575 L577 T583 A587 S677 I680 | I560-L579 HydrophobicContact CB-CD1 4.25Å; I560-L579 HydrophobicContact CD1-CD1 4.13Å; I560-L579 HydrophobicContact CD1-CD2 4.13Å; I560-L579 HydrophobicContact CG2-CD1 3.93Å; V562-L579 HydrophobicContact CG2-CD1 4.01Å; G575-L579 WeakPolarHBondContact O-CB 3.13Å; G575-L579 WeakPolarHBondContact O-CG 3.42Å; G575-L579 PolarHBondContact O-N 2.87Å; L577-L579 PolarHBondContact O-N 3.15Å; L579-T583 HydrophobicContact CD2-CG2 4.2Å; L579-T583 VanDerWaalsContact O-CB 3.29Å; L579-T583 WeakPolarHBondContact O-CB 3.45Å; L579-T583 PolarHBondContact O-N 3.32Å; L579-T583 PolarHBondContact O-OG1 3.39Å; L579-A587 HydrophobicContact CB-CB 3.44Å; L579-A587 VanDerWaalsContact CB-CB 3.44Å; L579-A587 HydrophobicContact CD1-CB 3.87Å; L579-A587 HydrophobicContact CG-CB 4.31Å; L579-S677 WeakPolarHBondContact CD2-OG 3.4Å; L579-S677 WeakPolarHBondContact CG-OG 3.38Å; L579-S677 PolarHBondContact N-OG 3.18Å; L579-I680 HydrophobicContact CD2-CD1 3.9Å |
| 580 | K | 97.5 | Very high | 97.6 | Very high | 96 Ų | 96 | 22.7 Ų | 22.7 | 42% | 0.417 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -60 | -50.8 | 177.7 | -79.7 | -177.4 | -71.4 | 173.1 | 0 | 112.6 | A576 L577 K578 L582 Y584 A587 | A576-K580 WeakPolarHBondContact O-CB 3.41Å; A576-K580 WeakPolarHBondContact O-CE 3.34Å; A576-K580 WeakPolarHBondContact O-CG 3.26Å; A576-K580 PolarHBondContact O-N 3.43Å; L577-K580 PolarHBondContact O-N 3Å; K578-K580 PolarHBondContact O-N 3.02Å; K580-L582 PolarHBondContact O-N 2.76Å; K580-Y584 WeakPolarHBondContact O-CA 3.44Å; K580-Y584 PolarHBondContact O-N 2.75Å; K580-A587 VanDerWaalsContact CD-O 3.23Å; K580-A587 WeakPolarHBondContact CD-O 3.26Å; K580-A587 VanDerWaalsContact CE-O 3.25Å; K580-A587 WeakPolarHBondContact CE-O 3.45Å; K580-A587 HydrophobicContact CG-CB 4.17Å; K580-A587 WeakPolarHBondContact CG-O 3.3Å |
| 581 | E | 96.4 | Very high | 97.6 | Very high | 39 Ų | 39 | 25.9 Ų | 25.9 | 18% | 0.182 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.8 | -42.9 | -174.8 | -74.6 | 177.4 | 179.9 | 0 | 0 | 112.2 | L577 K578 Y584 P691 L694 | L577-E581 HydrophobicContact CD1-CG 4.02Å; L577-E581 WeakPolarHBondContact CD1-OE1 3.35Å; L577-E581 HydrophobicContact CG-CG 4.33Å; L577-E581 WeakPolarHBondContact CG-OE1 3.19Å; L577-E581 WeakPolarHBondContact O-CB 3.48Å; L577-E581 WeakPolarHBondContact O-CG 3.25Å; L577-E581 PolarHBondContact O-N 3.4Å; K578-E581 VanDerWaalsContact CE-OE2 3.26Å; K578-E581 WeakPolarHBondContact CE-OE2 3.16Å; K578-E581 IonicContact NZ-OE1 2.65Å; K578-E581 IonicContact NZ-OE2 3.44Å; K578-E581 PolarHBondContact NZ-OE2 3.26Å; K578-E581 PolarHBondContact O-N 2.8Å; E581-Y584 VanDerWaalsContact O-CE1 3.31Å; E581-Y584 WeakPolarHBondContact O-CE1 3.29Å; E581-P691 WeakPolarHBondContact O-CB 3.34Å; E581-L694 HydrophobicContact CB-CD1 4.29Å; E581-L694 HydrophobicContact CG-CD1 4Å |
| 582 | L | 96.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -95.2 | -36 | -169.3 | -61.6 | 161.7 | 0 | 0 | 0 | 113.1 | M345 A493 K578 K580 A681 L686 V688 | M345-L582 HydrophobicContact CE-CD1 3.16Å; M345-L582 HydrophobicContact CE-CD2 4.37Å; M345-L582 HydrophobicContact CE-CG 4.35Å; M345-L582 HydrophobicContact SD-CD1 3.39Å; M345-L582 WeakPolarHBondContact SD-CD1 3.36Å; M345-L582 HydrophobicContact SD-CD2 3.58Å; M345-L582 VanDerWaalsContact SD-CD2 3.58Å; M345-L582 HydrophobicContact SD-CG 4.11Å; A493-L582 HydrophobicContact CB-CD1 4.28Å; A493-L582 HydrophobicContact CB-CD2 3.84Å; A493-L582 HydrophobicContact CB-CG 4.18Å; K578-L582 HydrophobicContact CB-CD1 4.29Å; K578-L582 WeakPolarHBondContact O-CB 3.39Å; K578-L582 WeakPolarHBondContact O-CD1 3.3Å; K578-L582 WeakPolarHBondContact O-CG 3.23Å; K578-L582 PolarHBondContact O-N 2.72Å; K580-L582 PolarHBondContact O-N 2.76Å; L582-A681 HydrophobicContact CB-CB 4.07Å; L582-A681 WeakPolarHBondContact O-CB 3.5Å; L582-L686 WeakPolarHBondContact O-CD1 3.31Å; L582-V688 HydrophobicContact CD2-CB 4.42Å; L582-V688 WeakPolarHBondContact CD2-O 3.41Å |
| 583 | T | 96.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -103.1 | -17.5 | -170.2 | 78.8 | 0 | 0 | 0 | 0 | 112.7 | L579 M585 S677 I680 A681 R684 | L579-T583 HydrophobicContact CD2-CG2 4.2Å; L579-T583 VanDerWaalsContact O-CB 3.29Å; L579-T583 WeakPolarHBondContact O-CB 3.45Å; L579-T583 PolarHBondContact O-N 3.32Å; L579-T583 PolarHBondContact O-OG1 3.39Å; T583-M585 PolarHBondContact O-N 3.14Å; T583-M585 VanDerWaalsContact OG1-CB 3.28Å; T583-M585 WeakPolarHBondContact OG1-CB 3.3Å; T583-M585 WeakPolarHBondContact OG1-CG 3.42Å; T583-M585 PolarHBondContact OG1-N 2.71Å; T583-M585 VanDerWaalsContact OG1-N 3.14Å; T583-S677 WeakPolarHBondContact CG2-O 3.46Å; T583-I680 HydrophobicContact CG2-CB 3.74Å; T583-I680 HydrophobicContact CG2-CG2 3.45Å; T583-I680 VanDerWaalsContact CG2-CG2 3.45Å; T583-A681 HydrophobicContact CG2-CB 4.31Å; T583-R684 PolarHBondContact O-NH1 3.45Å |
| 584 | Y | 95.9 | Very high | 97.3 | Very high | 61 Ų | 61 | 30.6 Ų | 30.6 | 24% | 0.239 | 15% | 0.154 | C | C | . | . | trans | 58.8 | 18.7 | -170.2 | -41.3 | -45.1 | 0 | 0 | 0 | 114.6 | K580 E581 L686 P691 R692 | K580-Y584 WeakPolarHBondContact O-CA 3.44Å; K580-Y584 PolarHBondContact O-N 2.75Å; E581-Y584 VanDerWaalsContact O-CE1 3.31Å; E581-Y584 WeakPolarHBondContact O-CE1 3.29Å; Y584-L686 HydrophobicContact CD2-CD1 3.61Å; Y584-L686 HydrophobicContact CD2-CD2 4.16Å; Y584-L686 HydrophobicContact CE2-CD1 3.57Å; Y584-L686 HydrophobicContact CE2-CD2 3.69Å; Y584-L686 HydrophobicContact CE2-CG 4.13Å; Y584-L686 HydrophobicContact CG-CD1 4.45Å; Y584-P691 HydrophobicContact CE1-CB 4.41Å; Y584-P691 WeakPolarHBondContact OH-CA 3.47Å; Y584-R692 HydrophobicContact CD1-CG 4.32Å; Y584-R692 HydrophobicContact CE1-CG 3.61Å; Y584-R692 HydrophobicContact CE2-CG 4.07Å; Y584-R692 VanDerWaalsContact CZ-CG 3.48Å; Y584-R692 PolarHBondContact OH-N 3.17Å | ||
| 585 | M | 96.1 | Very high | 97.1 | Very high | 6 Ų | 6 | 30.6 Ų | 30.6 | 3% | 0.03 | 15% | 0.154 | C | C | . | . | trans | -74.9 | 149 | 168.4 | -64.5 | 177.9 | 56.9 | 0 | 0 | 109.9 | K557 I560 T583 A587 I680 R684 | K557-M585 HydrophobicContact CB-CE 3.88Å; K557-M585 WeakPolarHBondContact O-CE 3.48Å; I560-M585 HydrophobicContact CD1-CE 3.25Å; I560-M585 HydrophobicContact CD1-SD 4.1Å; I560-M585 HydrophobicContact CG1-CE 3.45Å; I560-M585 VanDerWaalsContact CG1-CE 3.45Å; T583-M585 PolarHBondContact O-N 3.14Å; T583-M585 VanDerWaalsContact OG1-CB 3.28Å; T583-M585 WeakPolarHBondContact OG1-CB 3.3Å; T583-M585 WeakPolarHBondContact OG1-CG 3.42Å; T583-M585 PolarHBondContact OG1-N 2.71Å; T583-M585 VanDerWaalsContact OG1-N 3.14Å; M585-A587 PolarHBondContact O-N 3.12Å; M585-I680 HydrophobicContact SD-CD1 4.42Å; M585-I680 HydrophobicContact SD-CG2 3.82Å; M585-R684 PolarHBondContact SD-NH2 3.33Å; M585-R684 VanDerWaalsContact SD-NH2 3.37Å | ||
| 586 | H | 97.6 | Very high | 96.9 | Very high | 114 Ų | 114 | 37.2 Ų | 37.2 | 53% | 0.528 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 93.7 | 169.6 | -178.8 | -163.3 | 0 | 0 | 0 | 109 | K558 S559 I560 | K558-H586 PolarHBondContact O-N 2.9Å; S559-H586 CarbonylContact C-O 3.47Å; S559-H586 WeakPolarHBondContact CA-O 3.38Å; I560-H586 PolarHBondContact N-O 3.38Å |
| 587 | A | 97.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 132.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I560 A576 L579 K580 M585 | I560-A587 HydrophobicContact CB-CB 4.49Å; I560-A587 VanDerWaalsContact O-CA 3.24Å; I560-A587 WeakPolarHBondContact O-CA 3.49Å; A576-A587 HydrophobicContact CB-CB 4.23Å; A576-A587 WeakPolarHBondContact O-CB 3.43Å; L579-A587 HydrophobicContact CB-CB 3.44Å; L579-A587 VanDerWaalsContact CB-CB 3.44Å; L579-A587 HydrophobicContact CD1-CB 3.87Å; L579-A587 HydrophobicContact CG-CB 4.31Å; K580-A587 VanDerWaalsContact CD-O 3.23Å; K580-A587 WeakPolarHBondContact CD-O 3.26Å; K580-A587 VanDerWaalsContact CE-O 3.25Å; K580-A587 WeakPolarHBondContact CE-O 3.45Å; K580-A587 HydrophobicContact CG-CB 4.17Å; K580-A587 WeakPolarHBondContact CG-O 3.3Å; M585-A587 PolarHBondContact O-N 3.12Å |
| 588 | E | 98.1 | Very high | 96.7 | Very high | 76 Ų | 76 | 44.8 Ų | 44.8 | 36% | 0.355 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 129.6 | -177.4 | -169.6 | -177.8 | 172.1 | 0 | 0 | 110.7 | I560 L561 V562 I590 | I560-E588 PolarHBondContact O-N 3.07Å; I560-E588 VanDerWaalsContact O-N 3.12Å; L561-E588 HydrophobicContact CD2-CB 4.22Å; V562-E588 PolarHBondContact N-O 3.28Å; E588-I590 HydrophobicContact CG-CG1 4.11Å |
| 589 | G | 97.9 | Very high | 96.6 | Very high | 15 Ų | 15 | 46.3 Ų | 46.3 | 16% | 0.155 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 116.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | V562 A576 | V562-G589 CarbonylContact O-C 3.51Å; V562-G589 WeakPolarHBondContact O-CA 3.28Å; A576-G589 VanDerWaalsContact CB-N 3.32Å |
| 590 | I | 97.6 | Very high | 96.5 | Very high | 9 Ų | 9 | 47.4 Ų | 47.4 | 5% | 0.046 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.9 | -174.8 | -63 | 165.6 | 0 | 0 | 0 | 109.9 | L561 V562 M563 G564 E588 S592 L595 P599 M602 | L561-I590 HydrophobicContact CB-CD1 4.47Å; L561-I590 HydrophobicContact CD1-CD1 4.45Å; L561-I590 HydrophobicContact CD2-CD1 3.92Å; V562-I590 PolarHBondContact O-N 3.17Å; M563-I590 WeakPolarHBondContact CA-O 3.41Å; M563-I590 HydrophobicContact CE-CD1 4.37Å; M563-I590 HydrophobicContact CG-CB 4.37Å; G564-I590 PolarHBondContact N-O 3.36Å; E588-I590 HydrophobicContact CG-CG1 4.11Å; I590-S592 PolarHBondContact O-N 3.39Å; I590-L595 HydrophobicContact CG2-CD2 4.09Å; I590-P599 HydrophobicContact CD1-CB 4.02Å; I590-P599 HydrophobicContact CG2-CB 4.17Å; I590-P599 HydrophobicContact CG2-CG 4.32Å; I590-M602 HydrophobicContact CD1-CE 3.9Å |
| 591 | M | 97.2 | Very high | 96.4 | Very high | 68 Ų | 68 | 47.3 Ų | 47.3 | 34% | 0.335 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 121.4 | 169.8 | -171.8 | 179 | -64.3 | 0 | 0 | 109.3 | G564 Y569 G593 E594 | G564-M591 CarbonylContact O-C 3.59Å; G564-M591 WeakPolarHBondContact O-CA 3.42Å; Y569-M591 HydrophobicContact CD1-CE 3.56Å; Y569-M591 HydrophobicContact CD2-CB 3.85Å; Y569-M591 HydrophobicContact CD2-CE 4.07Å; Y569-M591 HydrophobicContact CD2-CG 4.28Å; Y569-M591 HydrophobicContact CE1-CE 3.67Å; Y569-M591 HydrophobicContact CE2-CB 3.77Å; Y569-M591 HydrophobicContact CE2-CE 4.18Å; Y569-M591 HydrophobicContact CG-CE 3.77Å; M591-G593 PolarHBondContact O-N 2.74Å; M591-E594 HydrophobicContact CB-CG 4.2Å; M591-E594 WeakPolarHBondContact O-CB 3.34Å; M591-E594 PolarHBondContact O-N 3.39Å |
| 592 | S | 95.8 | Very high | 96.3 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -64.6 | -18.4 | -172.5 | 79.8 | 0 | 0 | 0 | 0 | 114.2 | G564 I590 E594 L595 | G564-S592 PolarHBondContact O-N 3.27Å; I590-S592 PolarHBondContact O-N 3.39Å; S592-E594 VanDerWaalsContact C-N 3.28Å; S592-L595 WeakPolarHBondContact O-CD1 3.43Å; S592-L595 WeakPolarHBondContact O-CG 3.45Å |
| 593 | G | 95.5 | Very high | 96.2 | Very high | 30 Ų | 30 | 50.3 Ų | 50.3 | 31% | 0.309 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -69 | -24 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114 | M591 | M591-G593 PolarHBondContact O-N 2.74Š|
| 594 | E | 96.7 | Very high | 96.1 | Very high | 97 Ų | 97 | 54.1 Ų | 54.1 | 45% | 0.453 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -88.2 | -5.8 | -176.3 | -68.6 | -59.8 | 108.3 | 0 | 0 | 113.5 | M591 S592 K596 H597 P599 | M591-E594 HydrophobicContact CB-CG 4.2Å; M591-E594 WeakPolarHBondContact O-CB 3.34Å; M591-E594 PolarHBondContact O-N 3.39Å; S592-E594 VanDerWaalsContact C-N 3.28Å; E594-K596 VanDerWaalsContact C-N 3.3Å; E594-K596 PolarHBondContact O-N 3.28Å; E594-H597 WeakPolarHBondContact O-CB 3.39Å; E594-H597 PolarHBondContact O-N 3.28Å; E594-H597 IonicContact OE1-CD2 2.63Å; E594-P599 WeakPolarHBondContact O-CD 3.45Å |
| 595 | L | 94.6 | Very high | 96 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -51.4 | -48.3 | -174.2 | -71.2 | 173.2 | 0 | 0 | 0 | 112.7 | M563 I590 S592 H597 G598 L600 A625 I629 | M563-L595 HydrophobicContact CE-CD2 3.51Å; M563-L595 HydrophobicContact SD-CD1 4.14Å; M563-L595 HydrophobicContact SD-CD2 3.65Å; M563-L595 HydrophobicContact SD-CG 4.47Å; I590-L595 HydrophobicContact CG2-CD2 4.09Å; S592-L595 WeakPolarHBondContact O-CD1 3.43Å; S592-L595 WeakPolarHBondContact O-CG 3.45Å; L595-H597 PolarHBondContact O-N 3.42Å; L595-H597 VanDerWaalsContact O-N 3.15Å; L595-G598 PolarHBondContact O-N 3.03Å; L595-L600 HydrophobicContact CB-CB 4.25Å; L595-L600 HydrophobicContact CB-CD1 4.49Å; L595-L600 WeakPolarHBondContact O-CB 3.37Å; L595-L600 PolarHBondContact O-N 2.78Å; L595-A625 HydrophobicContact CD1-CB 3.84Å; L595-I629 HydrophobicContact CD1-CD1 4Å; L595-I629 HydrophobicContact CD1-CG1 4.27Å |
| 596 | K | 94.1 | Very high | 95.8 | Very high | 138 Ų | 138 | 60.2 Ų | 60.2 | 60% | 0.6 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -67.4 | -12.7 | -178.9 | -74.8 | 170.4 | 165 | 157.7 | 0 | 114.4 | E594 G598 E628 | E594-K596 VanDerWaalsContact C-N 3.3Å; E594-K596 PolarHBondContact O-N 3.28Å; K596-G598 VanDerWaalsContact C-N 3.32Å; K596-E628 WeakPolarHBondContact CE-OE1 3.35Å; K596-E628 VanDerWaalsContact CE-OE2 3.25Å; K596-E628 WeakPolarHBondContact CE-OE2 3.11Å; K596-E628 VanDerWaalsContact NZ-CD 3.27Å; K596-E628 IonicContact NZ-OE1 2.93Å; K596-E628 PolarHBondContact NZ-OE1 2.87Å; K596-E628 IonicContact NZ-OE2 2.89Å |
| 597 | H | 96.9 | Very high | 95.6 | Very high | 142 Ų | 142 | 56 Ų | 56 | 66% | 0.657 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -93.2 | 13.1 | -177.8 | -61.2 | -67.7 | 0 | 0 | 0 | 113 | E594 L595 | E594-H597 WeakPolarHBondContact O-CB 3.39Å; E594-H597 PolarHBondContact O-N 3.28Å; E594-H597 IonicContact OE1-CD2 2.63Å; L595-H597 PolarHBondContact O-N 3.42Å; L595-H597 VanDerWaalsContact O-N 3.15Å |
| 598 | G | 96.2 | Very high | 95.5 | Very high | 44 Ų | 44 | 56.7 Ų | 56.7 | 45% | 0.454 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 146.1 | -53.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L595 K596 L600 A601 | L595-G598 PolarHBondContact O-N 3.03Å; K596-G598 VanDerWaalsContact C-N 3.32Å; G598-L600 PolarHBondContact O-N 3.23Å; G598-L600 VanDerWaalsContact O-N 3.08Å; G598-A601 VanDerWaalsContact O-CB 3.29Å; G598-A601 WeakPolarHBondContact O-CB 3.5Å; G598-A601 PolarHBondContact O-N 3.22Å |
| 599 | P | 95.4 | Very high | 95.5 | Very high | 33 Ų | 33 | 53.1 Ų | 53.1 | 21% | 0.214 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -60.2 | -25 | -171.5 | -26.5 | 34.3 | 0 | 0 | 0 | 115.7 | I590 E594 A601 M602 | I590-P599 HydrophobicContact CD1-CB 4.02Å; I590-P599 HydrophobicContact CG2-CB 4.17Å; I590-P599 HydrophobicContact CG2-CG 4.32Å; E594-P599 WeakPolarHBondContact O-CD 3.45Å; P599-A601 PolarHBondContact O-N 3.16Å; P599-A601 VanDerWaalsContact O-N 3.14Å; P599-M602 HydrophobicContact CB-CE 4.31Å; P599-M602 WeakPolarHBondContact O-CB 3.49Å; P599-M602 PolarHBondContact O-N 2.97Å |
| 600 | L | 95.4 | Very high | 95.5 | Very high | 23 Ų | 23 | 52.4 Ų | 52.4 | 12% | 0.12 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -59.7 | -22.9 | 175.3 | -170.5 | 66.8 | 0 | 0 | 0 | 112.7 | L595 G598 M602 I603 I629 R632 | L595-L600 HydrophobicContact CB-CB 4.25Å; L595-L600 HydrophobicContact CB-CD1 4.49Å; L595-L600 WeakPolarHBondContact O-CB 3.37Å; L595-L600 PolarHBondContact O-N 2.78Å; G598-L600 PolarHBondContact O-N 3.23Å; G598-L600 VanDerWaalsContact O-N 3.08Å; L600-M602 PolarHBondContact O-N 2.82Å; L600-I603 HydrophobicContact CD1-CB 4.49Å; L600-I603 HydrophobicContact CD1-CG1 4.1Å; L600-I603 WeakPolarHBondContact O-CB 3.48Å; L600-I603 PolarHBondContact O-N 2.71Å; L600-I603 VanDerWaalsContact O-N 3.16Å; L600-I629 HydrophobicContact CD1-CG1 4.41Å; L600-R632 HydrophobicContact CD1-CG 4.33Å; L600-R632 HydrophobicContact CG-CG 4.32Å |
| 601 | A | 96 | Very high | 95.5 | Very high | 94 Ų | 94 | 52 Ų | 52 | 78% | 0.777 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -65.6 | -18.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | G598 P599 I603 | G598-A601 VanDerWaalsContact O-CB 3.29Å; G598-A601 WeakPolarHBondContact O-CB 3.5Å; G598-A601 PolarHBondContact O-N 3.22Å; P599-A601 PolarHBondContact O-N 3.16Å; P599-A601 VanDerWaalsContact O-N 3.14Å; A601-I603 VanDerWaalsContact C-N 3.28Å |
| 602 | M | 93.6 | Very high | 95.6 | Very high | 90 Ų | 90 | 48.8 Ų | 48.8 | 44% | 0.443 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -81.1 | -7.2 | 176 | -59.4 | -165.8 | -67.3 | 0 | 0 | 113.2 | L561 I590 P599 L600 S607 | L561-M602 HydrophobicContact CD1-CB 4.28Å; L561-M602 HydrophobicContact CD1-CE 4.11Å; L561-M602 HydrophobicContact CD2-CE 3.83Å; I590-M602 HydrophobicContact CD1-CE 3.9Å; P599-M602 HydrophobicContact CB-CE 4.31Å; P599-M602 WeakPolarHBondContact O-CB 3.49Å; P599-M602 PolarHBondContact O-N 2.97Å; L600-M602 PolarHBondContact O-N 2.82Å; M602-S607 PolarHBondContact O-OG 3.45Å |
| 603 | I | 95.2 | Very high | 95.6 | Very high | 12 Ų | 12 | 48.7 Ų | 48.7 | 6% | 0.062 | 28% | 0.28 | C | S | . | . | trans | -91 | 122.3 | -172.5 | -53.9 | -61 | 0 | 0 | 0 | 110.9 | L561 M563 L600 A601 I609 I629 R632 | L561-I603 HydrophobicContact CD1-CD1 3.51Å; M563-I603 HydrophobicContact CE-CD1 3.64Å; L600-I603 HydrophobicContact CD1-CB 4.49Å; L600-I603 HydrophobicContact CD1-CG1 4.1Å; L600-I603 WeakPolarHBondContact O-CB 3.48Å; L600-I603 PolarHBondContact O-N 2.71Å; L600-I603 VanDerWaalsContact O-N 3.16Å; A601-I603 VanDerWaalsContact C-N 3.28Å; I603-I609 HydrophobicContact CD1-CD1 3.58Å; I603-I609 HydrophobicContact CD1-CG1 4Å; I603-I609 HydrophobicContact CG2-CD1 3.93Å; I603-I629 HydrophobicContact CG2-CG2 4.05Å; I603-R632 HydrophobicContact CB-CB 4.27Å; I603-R632 HydrophobicContact CG2-CB 3.9Å | ||
| 604 | D | 93.9 | Very high | 95.6 | Very high | 80 Ų | 80 | 47.4 Ų | 47.4 | 43% | 0.428 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -142.3 | -169.2 | 172.1 | 65 | 19.4 | 0 | 0 | 0 | 111.1 | E606 S607 | D604-E606 VanDerWaalsContact C-N 3.29Å; D604-E606 PolarHBondContact O-N 3.16Å; D604-E606 WeakPolarHBondContact OD1-CA 3.39Å; D604-E606 PolarHBondContact OD1-N 3.49Å; D604-S607 PolarHBondContact N-OG 2.86Å; D604-S607 WeakPolarHBondContact O-CB 3.32Å; D604-S607 PolarHBondContact OD1-N 3.1Å; D604-S607 PolarHBondContact OD1-OG 3.06Å |
| 605 | S | 93.6 | Very high | 95.5 | Very high | 68 Ų | 68 | 47.7 Ų | 47.7 | 48% | 0.476 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -71.8 | -17.5 | 178.9 | 53.5 | 0 | 0 | 0 | 0 | 114.9 | K633 | S605-K633 WeakPolarHBondContact CA-O 3.4Š|
| 606 | E | 92.7 | Very high | 95.3 | Very high | 128 Ų | 128 | 48.8 Ų | 48.8 | 60% | 0.598 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -96.3 | -18.2 | -179 | -68.3 | -56.5 | 139 | 0 | 0 | 113.1 | K557 D604 T608 | K557-E606 PolarHBondContact NZ-O 2.99Å; K557-E606 VanDerWaalsContact NZ-O 3.07Å; K557-E606 IonicContact NZ-OE2 2.77Å; D604-E606 VanDerWaalsContact C-N 3.29Å; D604-E606 PolarHBondContact O-N 3.16Å; D604-E606 WeakPolarHBondContact OD1-CA 3.39Å; D604-E606 PolarHBondContact OD1-N 3.49Å; E606-T608 PolarHBondContact O-N 2.83Å |
| 607 | S | 93.7 | Very high | 95.3 | Very high | 25 Ų | 25 | 51.5 Ų | 51.5 | 18% | 0.175 | 28% | 0.275 | C | S | . | . | trans | -56.7 | 127.3 | 179.1 | -63.7 | 0 | 0 | 0 | 0 | 111.8 | M602 D604 | M602-S607 PolarHBondContact O-OG 3.45Å; D604-S607 PolarHBondContact N-OG 2.86Å; D604-S607 WeakPolarHBondContact O-CB 3.32Å; D604-S607 PolarHBondContact OD1-N 3.1Å; D604-S607 PolarHBondContact OD1-OG 3.06Å | ||
| 608 | T | 96.4 | Very high | 95.2 | Very high | 15 Ų | 15 | 46.1 Ų | 46.1 | 9% | 0.092 | 25% | 0.251 | C | S | . | . | trans | -95.7 | 117.5 | 173.9 | -53.3 | 0 | 0 | 0 | 0 | 109.2 | I554 K557 I560 L561 E606 | I554-T608 HydrophobicContact CB-CG2 4.28Å; I554-T608 HydrophobicContact CG2-CG2 3.85Å; K557-T608 VanDerWaalsContact CD-OG1 3.26Å; K557-T608 WeakPolarHBondContact CD-OG1 3.45Å; K557-T608 WeakPolarHBondContact CE-OG1 3.34Å; K557-T608 VanDerWaalsContact CG-OG1 3.28Å; K557-T608 WeakPolarHBondContact CG-OG1 3.31Å; I560-T608 WeakPolarHBondContact CA-O 2.95Å; I560-T608 HydrophobicContact CD1-CG2 4.49Å; I560-T608 HydrophobicContact CG1-CG2 3.83Å; L561-T608 PolarHBondContact N-O 3.19Å; E606-T608 PolarHBondContact O-N 2.83Å | ||
| 609 | I | 97.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 131.9 | -170.3 | -55.5 | 155.4 | 0 | 0 | 0 | 108.4 | L561 M563 I603 M611 I629 P636 I637 | L561-I609 HydrophobicContact CB-CG1 4.49Å; L561-I609 CarbonylContact O-C 3.57Å; L561-I609 WeakPolarHBondContact O-CA 3.04Å; M563-I609 HydrophobicContact CE-CG2 4.18Å; M563-I609 HydrophobicContact CG-CG2 4.43Å; M563-I609 HydrophobicContact SD-CG2 3.92Å; I603-I609 HydrophobicContact CD1-CD1 3.58Å; I603-I609 HydrophobicContact CD1-CG1 4Å; I603-I609 HydrophobicContact CG2-CD1 3.93Å; I609-M611 HydrophobicContact CG2-CG 3.97Å; I609-I629 HydrophobicContact CD1-CG2 3.71Å; I609-P636 HydrophobicContact CB-CB 3.99Å; I609-P636 HydrophobicContact CG2-CB 3.91Å; I609-P636 WeakPolarHBondContact O-CA 3.49Å; I609-I637 PolarHBondContact O-N 3.46Å |
| 610 | I | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 120.6 | 169.2 | -55.9 | 175.4 | 0 | 0 | 0 | 107.9 | I560 L561 V562 M563 I637 I639 L673 | I560-I610 HydrophobicContact CG2-CD1 3.98Å; I560-I610 HydrophobicContact CG2-CG1 4.07Å; L561-I610 PolarHBondContact O-N 3.14Å; V562-I610 CarbonylContact C-O 3.58Å; V562-I610 VanDerWaalsContact CA-O 3.31Å; V562-I610 WeakPolarHBondContact CA-O 3.21Å; M563-I610 PolarHBondContact N-O 2.8Å; I610-I637 CarbonylContact C-O 3.56Å; I610-I637 VanDerWaalsContact CA-O 3.29Å; I610-I637 WeakPolarHBondContact CA-O 3.17Å; I610-I637 HydrophobicContact CG1-CB 4.33Å; I610-I637 HydrophobicContact CG1-CD1 4.37Å; I610-I639 HydrophobicContact CG2-CD1 4.18Å; I610-I639 HydrophobicContact CG2-CG1 4.42Å; I610-L673 HydrophobicContact CD1-CD2 4.08Å; I610-L673 HydrophobicContact CG2-CD2 3.87Å |
| 611 | M | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 145.6 | 176.3 | -64.3 | -167.9 | 74.9 | 0 | 0 | 111.5 | M563 I609 I613 A625 L626 I629 P636 I637 V638 I639 | M563-M611 HydrophobicContact CB-CG 4.24Å; M563-M611 CarbonylContact O-C 3.48Å; M563-M611 WeakPolarHBondContact O-CA 3.46Å; I609-M611 HydrophobicContact CG2-CG 3.97Å; M611-I613 HydrophobicContact CB-CD1 4.38Å; M611-I613 HydrophobicContact CB-CG1 4.22Å; M611-I613 HydrophobicContact CE-CD1 4.2Å; M611-I613 HydrophobicContact SD-CD1 4.41Å; M611-A625 HydrophobicContact CE-CB 4.09Å; M611-L626 HydrophobicContact CE-CB 4.22Å; M611-L626 HydrophobicContact SD-CB 4.04Å; M611-L626 HydrophobicContact SD-CD1 3.75Å; M611-I629 HydrophobicContact CE-CD1 3.68Å; M611-I629 HydrophobicContact CG-CD1 4.24Å; M611-I629 HydrophobicContact SD-CD1 3.35Å; M611-I629 WeakPolarHBondContact SD-CD1 3.27Å; M611-P636 HydrophobicContact CG-CB 3.84Å; M611-P636 HydrophobicContact CG-CG 4.4Å; M611-P636 HydrophobicContact SD-CB 4.1Å; M611-P636 HydrophobicContact SD-CG 4.01Å; M611-I637 PolarHBondContact N-O 3.28Å; M611-V638 HydrophobicContact CB-CG1 4.43Å; M611-V638 HydrophobicContact CB-CG2 4.37Å; M611-V638 CarbonylContact O-C 3.54Å; M611-V638 WeakPolarHBondContact O-CA 3.48Å; M611-I639 PolarHBondContact O-N 3.46Å |
| 612 | I | 97.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 112.2 | 172.9 | -48.8 | 174.3 | 0 | 0 | 0 | 108.8 | M563 N568 T571 C572 T614 I639 A669 L673 | M563-I612 PolarHBondContact O-N 2.71Å; N568-I612 HydrophobicContact CB-CB 4.15Å; N568-I612 HydrophobicContact CB-CD1 4.34Å; N568-I612 HydrophobicContact CB-CG2 3.84Å; N568-I612 VanDerWaalsContact CG-CG2 3.49Å; T571-I612 HydrophobicContact CG2-CD1 3.44Å; T571-I612 VanDerWaalsContact CG2-CD1 3.44Å; C572-I612 VanDerWaalsContact SG-CD1 3.59Å; I612-T614 HydrophobicContact CG2-CG2 4.18Å; I612-I639 HydrophobicContact CG1-CD1 4.38Å; I612-A669 HydrophobicContact CG2-CB 3.94Å; I612-L673 HydrophobicContact CD1-CD1 4.06Å |
| 613 | I | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 91.7 | -176 | -48.2 | -173 | 0 | 0 | 0 | 109.6 | M611 F619 T622 L626 V638 I639 C640 V647 | M611-I613 HydrophobicContact CB-CD1 4.38Å; M611-I613 HydrophobicContact CB-CG1 4.22Å; M611-I613 HydrophobicContact CE-CD1 4.2Å; M611-I613 HydrophobicContact SD-CD1 4.41Å; I613-F619 HydrophobicContact CG2-CD2 4.02Å; I613-F619 HydrophobicContact CG2-CE2 3.89Å; I613-T622 HydrophobicContact CB-CG2 4.3Å; I613-T622 HydrophobicContact CD1-CG2 4.38Å; I613-T622 HydrophobicContact CG1-CG2 3.75Å; I613-T622 HydrophobicContact CG2-CG2 4.26Å; I613-L626 HydrophobicContact CD1-CB 3.79Å; I613-L626 HydrophobicContact CD1-CD2 3.79Å; I613-L626 HydrophobicContact CD1-CG 4.28Å; I613-V638 HydrophobicContact CB-CG1 4Å; I613-V638 HydrophobicContact CD1-CG1 3.84Å; I613-V638 HydrophobicContact CG1-CG1 3.73Å; I613-I639 PolarHBondContact N-O 3.39Å; I613-C640 VanDerWaalsContact O-CA 3.24Å; I613-C640 WeakPolarHBondContact O-CA 3.18Å; I613-C640 WeakPolarHBondContact O-CB 3.47Å; I613-V647 HydrophobicContact CB-CG1 4.31Å; I613-V647 HydrophobicContact CB-CG2 4.41Å; I613-V647 HydrophobicContact CD1-CG1 4.3Å; I613-V647 HydrophobicContact CG2-CG2 3.81Å |
| 614 | T | 94.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | trans | -108.8 | 160.7 | -179.3 | 58.7 | 0 | 0 | 0 | 0 | 111.4 | N568 I612 D616 I657 Q665 | N568-T614 PolarHBondContact ND2-OG1 2.78Å; I612-T614 HydrophobicContact CG2-CG2 4.18Å; T614-D616 VanDerWaalsContact C-N 3.31Å; T614-D616 PolarHBondContact O-N 2.72Å; T614-I657 HydrophobicContact CG2-CD1 4.36Å; T614-Q665 HydrophobicContact CG2-CG 3.57Å | ||
| 615 | R | 93.6 | Very high | 95.4 | Very high | 103 Ų | 103 | 48.4 Ų | 48.4 | 39% | 0.389 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -76.3 | 76.1 | -179.3 | -69.8 | -73.5 | 173.4 | 163.8 | -3.3 | 112.4 | F619 S641 D644 | R615-F619 VanDerWaalsContact NH2-CZ 3.28Å; R615-S641 PolarHBondContact N-OG 2.87Å; R615-D644 IonicContact CZ-OD1 3.39Å; R615-D644 IonicContact CZ-OD2 3.65Å; R615-D644 VanDerWaalsContact CZ-OD2 3.25Å; R615-D644 IonicContact NE-OD2 3.71Å; R615-D644 PolarHBondContact NE-OD2 3.23Å; R615-D644 IonicContact NH2-OD1 2.74Å; R615-D644 PolarHBondContact NH2-OD1 3.06Å; R615-D644 IonicContact NH2-OD2 3.89Å; R615-D644 PolarHBondContact NH2-OD2 2.88Å |
| 616 | D | 92.4 | Very high | 95.5 | Very high | 23 Ų | 23 | 45.1 Ų | 45.1 | 12% | 0.123 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -117.8 | -176.9 | 172.3 | 74.3 | 6.8 | 0 | 0 | 0 | 112.2 | T614 L618 F619 D662 | T614-D616 VanDerWaalsContact C-N 3.31Å; T614-D616 PolarHBondContact O-N 2.72Å; D616-L618 PolarHBondContact O-N 2.71Å; D616-L618 VanDerWaalsContact O-N 3.08Å; D616-L618 VanDerWaalsContact OD1-CA 3.25Å; D616-L618 WeakPolarHBondContact OD1-CA 3.32Å; D616-L618 WeakPolarHBondContact OD1-CB 3.39Å; D616-L618 PolarHBondContact OD1-N 2.91Å; D616-F619 VanDerWaalsContact O-CB 3.3Å; D616-F619 WeakPolarHBondContact O-CB 3.42Å; D616-F619 PolarHBondContact O-N 3.02Å; D616-F619 VanDerWaalsContact O-N 3.1Å; D616-F619 PolarHBondContact OD1-N 2.85Å; D616-D662 HydrophobicContact CB-CB 4.11Å |
| 617 | R | 93.6 | Very high | 95.6 | Very high | 195 Ų | 195 | 41.8 Ų | 41.8 | 74% | 0.736 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -18.3 | 176.6 | 68.7 | 179.4 | 175.7 | 153 | -4.3 | 114.4 | ||
| 618 | L | 94.5 | Very high | 95.7 | Very high | 30 Ų | 30 | 42.6 Ų | 42.6 | 16% | 0.157 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -1.2 | -179.4 | -57.7 | -179 | 0 | 0 | 0 | 113.1 | R565 D616 K620 K621 T622 | R565-L618 HydrophobicContact CG-CB 4.23Å; R565-L618 HydrophobicContact CG-CD1 4.09Å; D616-L618 PolarHBondContact O-N 2.71Å; D616-L618 VanDerWaalsContact O-N 3.08Å; D616-L618 VanDerWaalsContact OD1-CA 3.25Å; D616-L618 WeakPolarHBondContact OD1-CA 3.32Å; D616-L618 WeakPolarHBondContact OD1-CB 3.39Å; D616-L618 PolarHBondContact OD1-N 2.91Å; L618-K620 VanDerWaalsContact C-N 3.34Å; L618-K620 PolarHBondContact O-N 3.18Å; L618-K620 VanDerWaalsContact O-N 3.16Å; L618-K621 HydrophobicContact CD2-CD 4.26Å; L618-K621 WeakPolarHBondContact O-CA 3.43Å; L618-K621 WeakPolarHBondContact O-CB 3.21Å; L618-K621 PolarHBondContact O-N 2.74Å; L618-T622 PolarHBondContact O-N 2.9Å; L618-T622 PolarHBondContact O-OG1 2.9Å |
| 619 | F | 95.3 | Very high | 95.7 | Very high | 17 Ų | 17 | 41.9 Ų | 41.9 | 8% | 0.075 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -42.4 | -53.8 | -177.7 | 176.2 | -102 | 0 | 0 | 0 | 113.6 | I613 R615 D616 K621 T622 L623 D644 V647 | I613-F619 HydrophobicContact CG2-CD2 4.02Å; I613-F619 HydrophobicContact CG2-CE2 3.89Å; R615-F619 VanDerWaalsContact NH2-CZ 3.28Å; D616-F619 VanDerWaalsContact O-CB 3.3Å; D616-F619 WeakPolarHBondContact O-CB 3.42Å; D616-F619 PolarHBondContact O-N 3.02Å; D616-F619 VanDerWaalsContact O-N 3.1Å; D616-F619 PolarHBondContact OD1-N 2.85Å; F619-K621 VanDerWaalsContact C-N 3.27Å; F619-K621 PolarHBondContact O-N 3.1Å; F619-T622 PolarHBondContact O-N 2.8Å; F619-T622 VanDerWaalsContact O-N 3.09Å; F619-L623 HydrophobicContact CE1-CD2 4.42Å; F619-L623 WeakPolarHBondContact O-CB 3.2Å; F619-L623 PolarHBondContact O-N 2.8Å; F619-D644 VanDerWaalsContact CE2-OD2 3.29Å; F619-D644 WeakPolarHBondContact CE2-OD2 3.45Å; F619-V647 HydrophobicContact CE2-CG2 3.79Å; F619-V647 HydrophobicContact CZ-CG2 4.03Å |
| 620 | K | 95.8 | Very high | 95.5 | Very high | 169 Ų | 169 | 46.8 Ų | 46.8 | 74% | 0.735 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -57.4 | -38.8 | 179.1 | -69.1 | -176 | 178.8 | 179.9 | 0 | 112.7 | L618 N624 | L618-K620 VanDerWaalsContact C-N 3.34Å; L618-K620 PolarHBondContact O-N 3.18Å; L618-K620 VanDerWaalsContact O-N 3.16Å; K620-N624 VanDerWaalsContact O-CG 3.29Å; K620-N624 PolarHBondContact O-N 2.69Å; K620-N624 VanDerWaalsContact O-N 3.11Å; K620-N624 PolarHBondContact O-OD1 2.85Å |
| 621 | K | 96.7 | Very high | 95.4 | Very high | 117 Ų | 117 | 49.9 Ų | 49.9 | 51% | 0.509 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -74.1 | -32.6 | 179.5 | -59.4 | -175.1 | 175.7 | 177.9 | 0 | 111.7 | R565 L618 F619 A625 | R565-K621 VanDerWaalsContact NH1-CB 3.31Å; L618-K621 HydrophobicContact CD2-CD 4.26Å; L618-K621 WeakPolarHBondContact O-CA 3.43Å; L618-K621 WeakPolarHBondContact O-CB 3.21Å; L618-K621 PolarHBondContact O-N 2.74Å; F619-K621 VanDerWaalsContact C-N 3.27Å; F619-K621 PolarHBondContact O-N 3.1Å; K621-A625 PolarHBondContact O-N 2.76Å |
| 622 | T | 94.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72.3 | -38.3 | 173.8 | -39.8 | 0 | 0 | 0 | 0 | 111.4 | R565 I613 L618 F619 N624 A625 L626 | R565-T622 WeakPolarHBondContact CD-OG1 3.41Å; R565-T622 HydrophobicContact CG-CG2 4.39Å; R565-T622 VanDerWaalsContact CG-OG1 3.3Å; R565-T622 WeakPolarHBondContact CG-OG1 3.41Å; I613-T622 HydrophobicContact CB-CG2 4.3Å; I613-T622 HydrophobicContact CD1-CG2 4.38Å; I613-T622 HydrophobicContact CG1-CG2 3.75Å; I613-T622 HydrophobicContact CG2-CG2 4.26Å; L618-T622 PolarHBondContact O-N 2.9Å; L618-T622 PolarHBondContact O-OG1 2.9Å; F619-T622 PolarHBondContact O-N 2.8Å; F619-T622 VanDerWaalsContact O-N 3.09Å; T622-N624 VanDerWaalsContact C-N 3.32Å; T622-N624 PolarHBondContact O-N 2.86Å; T622-A625 WeakPolarHBondContact O-CB 3.28Å; T622-A625 PolarHBondContact O-N 3.49Å; T622-A625 VanDerWaalsContact O-N 3.09Å; T622-L626 PolarHBondContact O-N 3.03Å; T622-L626 VanDerWaalsContact O-N 3.1Å |
| 623 | L | 95.1 | Very high | 95.1 | Very high | 21 Ų | 21 | 63.1 Ų | 63.1 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 174.6 | -171.9 | 71.2 | 0 | 0 | 0 | 111.8 | F619 A625 L626 S627 Q646 V647 | F619-L623 HydrophobicContact CE1-CD2 4.42Å; F619-L623 WeakPolarHBondContact O-CB 3.2Å; F619-L623 PolarHBondContact O-N 2.8Å; L623-A625 VanDerWaalsContact C-N 3.28Å; L623-A625 PolarHBondContact O-N 3.34Å; L623-L626 HydrophobicContact CD1-CD2 4.18Å; L623-L626 WeakPolarHBondContact O-CB 3.43Å; L623-L626 PolarHBondContact O-N 3.29Å; L623-L626 VanDerWaalsContact O-N 3.12Å; L623-S627 PolarHBondContact O-N 3.06Å; L623-S627 PolarHBondContact O-OG 3.16Å; L623-Q646 HydrophobicContact CD1-CG 4.43Å; L623-Q646 HydrophobicContact CD2-CG 4.11Å; L623-V647 HydrophobicContact CD1-CG2 4.26Å |
| 624 | N | 95.7 | Very high | 95 | Very high | 93 Ų | 93 | 63.1 Ų | 63.1 | 50% | 0.497 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.2 | -39.5 | 172.5 | -72 | -11.8 | 0 | 0 | 0 | 112.2 | K620 T622 L626 S627 E628 | K620-N624 VanDerWaalsContact O-CG 3.29Å; K620-N624 PolarHBondContact O-N 2.69Å; K620-N624 VanDerWaalsContact O-N 3.11Å; K620-N624 PolarHBondContact O-OD1 2.85Å; T622-N624 VanDerWaalsContact C-N 3.32Å; T622-N624 PolarHBondContact O-N 2.86Å; N624-L626 VanDerWaalsContact C-N 3.32Å; N624-L626 PolarHBondContact O-N 3.09Å; N624-S627 WeakPolarHBondContact O-CB 3.15Å; N624-S627 PolarHBondContact O-N 3.26Å; N624-E628 VanDerWaalsContact O-CG 3.25Å; N624-E628 WeakPolarHBondContact O-CG 3.41Å; N624-E628 PolarHBondContact O-N 3.44Å |
| 625 | A | 96.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 68.4 Ų | 68.4 | 2% | 0.017 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L595 M611 K621 T622 L623 E628 I629 | L595-A625 HydrophobicContact CD1-CB 3.84Å; M611-A625 HydrophobicContact CE-CB 4.09Å; K621-A625 PolarHBondContact O-N 2.76Å; T622-A625 WeakPolarHBondContact O-CB 3.28Å; T622-A625 PolarHBondContact O-N 3.49Å; T622-A625 VanDerWaalsContact O-N 3.09Å; L623-A625 VanDerWaalsContact C-N 3.28Å; L623-A625 PolarHBondContact O-N 3.34Å; A625-E628 WeakPolarHBondContact O-CB 3.42Å; A625-E628 PolarHBondContact O-N 3.39Å; A625-I629 WeakPolarHBondContact O-CD1 3.35Å; A625-I629 WeakPolarHBondContact O-CG1 3.14Å; A625-I629 PolarHBondContact O-N 3.48Å |
| 626 | L | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 172.6 | 174.7 | 60.8 | 0 | 0 | 0 | 111 | M611 I613 T622 L623 N624 E628 I629 R630 P636 V638 V647 D650 | M611-L626 HydrophobicContact CE-CB 4.22Å; M611-L626 HydrophobicContact SD-CB 4.04Å; M611-L626 HydrophobicContact SD-CD1 3.75Å; I613-L626 HydrophobicContact CD1-CB 3.79Å; I613-L626 HydrophobicContact CD1-CD2 3.79Å; I613-L626 HydrophobicContact CD1-CG 4.28Å; T622-L626 PolarHBondContact O-N 3.03Å; T622-L626 VanDerWaalsContact O-N 3.1Å; L623-L626 HydrophobicContact CD1-CD2 4.18Å; L623-L626 WeakPolarHBondContact O-CB 3.43Å; L623-L626 PolarHBondContact O-N 3.29Å; L623-L626 VanDerWaalsContact O-N 3.12Å; N624-L626 VanDerWaalsContact C-N 3.32Å; N624-L626 PolarHBondContact O-N 3.09Å; L626-E628 VanDerWaalsContact C-N 3.3Å; L626-E628 PolarHBondContact O-N 3.21Å; L626-I629 PolarHBondContact O-N 3.4Å; L626-R630 HydrophobicContact CD1-CG 4.31Å; L626-R630 WeakPolarHBondContact O-CG 3.4Å; L626-R630 PolarHBondContact O-N 2.85Å; L626-P636 HydrophobicContact CD1-CG 3.29Å; L626-V638 HydrophobicContact CD1-CG2 4.36Å; L626-V647 HydrophobicContact CD2-CG1 4.49Å; L626-D650 HydrophobicContact CD2-CB 3.66Å; L626-D650 HydrophobicContact CG-CB 4.24Å |
| 627 | S | 94.8 | Very high | 95.3 | Very high | 57 Ų | 57 | 62.9 Ų | 62.9 | 40% | 0.399 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 176.2 | -57 | 0 | 0 | 0 | 0 | 112.6 | L623 N624 R630 A631 | L623-S627 PolarHBondContact O-N 3.06Å; L623-S627 PolarHBondContact O-OG 3.16Å; N624-S627 WeakPolarHBondContact O-CB 3.15Å; N624-S627 PolarHBondContact O-N 3.26Å; S627-R630 PolarHBondContact O-N 3.21Å; S627-A631 WeakPolarHBondContact O-CB 3.4Å; S627-A631 PolarHBondContact O-N 2.83Å |
| 628 | E | 95.1 | Very high | 95.5 | Very high | 42 Ų | 42 | 53.6 Ų | 53.6 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | 176.7 | -71.6 | 164.8 | -157.9 | 0 | 0 | 112.2 | K596 N624 A625 L626 A631 | K596-E628 WeakPolarHBondContact CE-OE1 3.35Å; K596-E628 VanDerWaalsContact CE-OE2 3.25Å; K596-E628 WeakPolarHBondContact CE-OE2 3.11Å; K596-E628 VanDerWaalsContact NZ-CD 3.27Å; K596-E628 IonicContact NZ-OE1 2.93Å; K596-E628 PolarHBondContact NZ-OE1 2.87Å; K596-E628 IonicContact NZ-OE2 2.89Å; N624-E628 VanDerWaalsContact O-CG 3.25Å; N624-E628 WeakPolarHBondContact O-CG 3.41Å; N624-E628 PolarHBondContact O-N 3.44Å; A625-E628 WeakPolarHBondContact O-CB 3.42Å; A625-E628 PolarHBondContact O-N 3.39Å; L626-E628 VanDerWaalsContact C-N 3.3Å; L626-E628 PolarHBondContact O-N 3.21Å; E628-A631 PolarHBondContact O-N 3.39Å |
| 629 | I | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.8 | -46.3 | 176.1 | -72.8 | 158.6 | 0 | 0 | 0 | 110.9 | M563 L595 L600 I603 I609 M611 A625 L626 A631 R632 K633 G634 P636 | M563-I629 HydrophobicContact CE-CD1 4.4Å; M563-I629 HydrophobicContact SD-CD1 3.42Å; M563-I629 WeakPolarHBondContact SD-CD1 3.49Å; M563-I629 HydrophobicContact SD-CG1 4.38Å; L595-I629 HydrophobicContact CD1-CD1 4Å; L595-I629 HydrophobicContact CD1-CG1 4.27Å; L600-I629 HydrophobicContact CD1-CG1 4.41Å; I603-I629 HydrophobicContact CG2-CG2 4.05Å; I609-I629 HydrophobicContact CD1-CG2 3.71Å; M611-I629 HydrophobicContact CE-CD1 3.68Å; M611-I629 HydrophobicContact CG-CD1 4.24Å; M611-I629 HydrophobicContact SD-CD1 3.35Å; M611-I629 WeakPolarHBondContact SD-CD1 3.27Å; A625-I629 WeakPolarHBondContact O-CD1 3.35Å; A625-I629 WeakPolarHBondContact O-CG1 3.14Å; A625-I629 PolarHBondContact O-N 3.48Å; L626-I629 PolarHBondContact O-N 3.4Å; I629-A631 VanDerWaalsContact C-N 3.29Å; I629-A631 PolarHBondContact O-N 3.04Å; I629-R632 CarbonylContact O-C 3.53Å; I629-R632 WeakPolarHBondContact O-CA 3.35Å; I629-R632 PolarHBondContact O-N 2.81Å; I629-K633 PolarHBondContact O-N 2.72Å; I629-G634 PolarHBondContact O-N 3.41Å; I629-P636 HydrophobicContact CG2-CG 4.2Å |
| 630 | R | 95 | Very high | 95.8 | Very high | 105 Ų | 105 | 51.3 Ų | 51.3 | 40% | 0.396 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.9 | -36.4 | 177.4 | -69.3 | -172.8 | 78.1 | -157 | 16.1 | 112.3 | L626 S627 R632 K633 D650 | L626-R630 HydrophobicContact CD1-CG 4.31Å; L626-R630 WeakPolarHBondContact O-CG 3.4Å; L626-R630 PolarHBondContact O-N 2.85Å; S627-R630 PolarHBondContact O-N 3.21Å; R630-R632 PolarHBondContact O-N 2.98Å; R630-R632 VanDerWaalsContact O-N 3.08Å; R630-K633 WeakPolarHBondContact O-CA 3.25Å; R630-K633 PolarHBondContact O-N 3.22Å; R630-D650 WeakPolarHBondContact CD-O 3.28Å; R630-D650 IonicContact CZ-OD1 3.59Å; R630-D650 IonicContact CZ-OD2 3.49Å; R630-D650 PolarHBondContact NE-O 2.72Å; R630-D650 IonicContact NH1-OD1 3.93Å; R630-D650 PolarHBondContact NH1-OD1 3.31Å; R630-D650 IonicContact NH1-OD2 2.63Å; R630-D650 PolarHBondContact NH1-OD2 2.73Å; R630-D650 IonicContact NH2-OD1 3.85Å |
| 631 | A | 95.3 | Very high | 95.8 | Very high | 66 Ų | 66 | 43.3 Ų | 43.3 | 55% | 0.545 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -11.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S627 E628 I629 | S627-A631 WeakPolarHBondContact O-CB 3.4Å; S627-A631 PolarHBondContact O-N 2.83Å; E628-A631 PolarHBondContact O-N 3.39Å; I629-A631 VanDerWaalsContact C-N 3.29Å; I629-A631 PolarHBondContact O-N 3.04Å |
| 632 | R | 95.5 | Very high | 95.7 | Very high | 137 Ų | 137 | 43 Ų | 43 | 52% | 0.517 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 18.1 | 171.7 | -61.3 | -62.8 | -178.1 | -91.7 | -0.6 | 112.8 | L600 I603 I629 R630 G634 | L600-R632 HydrophobicContact CD1-CG 4.33Å; L600-R632 HydrophobicContact CG-CG 4.32Å; I603-R632 HydrophobicContact CB-CB 4.27Å; I603-R632 HydrophobicContact CG2-CB 3.9Å; I629-R632 CarbonylContact O-C 3.53Å; I629-R632 WeakPolarHBondContact O-CA 3.35Å; I629-R632 PolarHBondContact O-N 2.81Å; R630-R632 PolarHBondContact O-N 2.98Å; R630-R632 VanDerWaalsContact O-N 3.08Å; R632-G634 PolarHBondContact O-N 3.26Å |
| 633 | K | 94.5 | Very high | 95.6 | Very high | 142 Ų | 142 | 45.5 Ų | 45.5 | 62% | 0.617 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65 | 15.2 | -178.3 | -49.2 | 178.2 | -179.5 | 179 | 0 | 114.2 | S605 I629 R630 H635 | S605-K633 WeakPolarHBondContact CA-O 3.4Å; I629-K633 PolarHBondContact O-N 2.72Å; R630-K633 WeakPolarHBondContact O-CA 3.25Å; R630-K633 PolarHBondContact O-N 3.22Å; K633-H635 PolarHBondContact O-CD2 2.8Å; K633-H635 PolarHBondContact O-NE2 2.99Å |
| 634 | G | 94.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -69.3 | 137.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | I629 R632 P636 | I629-G634 PolarHBondContact O-N 3.41Å; R632-G634 PolarHBondContact O-N 3.26Å; G634-P636 VanDerWaalsContact O-CD 3.32Å; G634-P636 WeakPolarHBondContact O-CD 3.22Å | ||
| 635 | H | 93.4 | Very high | 95.4 | Very high | 114 Ų | 114 | 44.6 Ų | 44.6 | 53% | 0.528 | 24% | 0.239 | S | C | . | . | trans | -119.9 | 74.4 | -178.3 | -68.1 | -65.9 | 0 | 0 | 0 | 110.5 | K633 S652 | K633-H635 PolarHBondContact O-CD2 2.8Å; K633-H635 PolarHBondContact O-NE2 2.99Å; H635-S652 WeakPolarHBondContact O-CB 3.27Å; H635-S652 PolarHBondContact O-OG 3.22Å | ||
| 636 | P | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -72.4 | 143 | -169.3 | 28.8 | -33.8 | 0 | 0 | 0 | 112.9 | I609 M611 L626 I629 G634 V638 S652 | I609-P636 HydrophobicContact CB-CB 3.99Å; I609-P636 HydrophobicContact CG2-CB 3.91Å; I609-P636 WeakPolarHBondContact O-CA 3.49Å; M611-P636 HydrophobicContact CG-CB 3.84Å; M611-P636 HydrophobicContact CG-CG 4.4Å; M611-P636 HydrophobicContact SD-CB 4.1Å; M611-P636 HydrophobicContact SD-CG 4.01Å; L626-P636 HydrophobicContact CD1-CG 3.29Å; I629-P636 HydrophobicContact CG2-CG 4.2Å; G634-P636 VanDerWaalsContact O-CD 3.32Å; G634-P636 WeakPolarHBondContact O-CD 3.22Å; P636-V638 HydrophobicContact CB-CG2 4.32Å; P636-V638 HydrophobicContact CG-CG2 4.24Å; P636-S652 PolarHBondContact O-N 2.83Å; P636-S652 PolarHBondContact O-OG 2.95Å | ||
| 637 | I | 97.8 | Very high | 95 | Very high | 9 Ų | 9 | 49.3 Ų | 49.3 | 5% | 0.046 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 132.2 | 158 | -61.4 | 159.8 | 0 | 0 | 0 | 106.3 | L550 I554 I609 I610 M611 S652 F653 I655 | L550-I637 HydrophobicContact CD1-CD1 3.8Å; L550-I637 HydrophobicContact CD1-CG1 4.17Å; L550-I637 HydrophobicContact CD2-CD1 4.29Å; L550-I637 HydrophobicContact CD2-CG2 3.93Å; L550-I637 HydrophobicContact CG-CD1 4.34Å; I554-I637 HydrophobicContact CD1-CD1 4.15Å; I554-I637 HydrophobicContact CG2-CD1 4.2Å; I609-I637 PolarHBondContact O-N 3.46Å; I610-I637 CarbonylContact C-O 3.56Å; I610-I637 VanDerWaalsContact CA-O 3.29Å; I610-I637 WeakPolarHBondContact CA-O 3.17Å; I610-I637 HydrophobicContact CG1-CB 4.33Å; I610-I637 HydrophobicContact CG1-CD1 4.37Å; M611-I637 PolarHBondContact N-O 3.28Å; I637-S652 PolarHBondContact N-OG 2.68Å; I637-F653 CarbonylContact C-O 3.48Å; I637-F653 WeakPolarHBondContact CA-O 2.99Å; I637-F653 HydrophobicContact CG1-CB 4.22Å; I637-F653 HydrophobicContact CG2-CB 4.35Å; I637-F653 HydrophobicContact CG2-CD1 4.37Å; I637-I655 HydrophobicContact CG2-CD1 3.83Å; I637-I655 HydrophobicContact CG2-CG1 4.32Å |
| 638 | V | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125.5 | -175.5 | -170.5 | 0 | 0 | 0 | 0 | 111.1 | M611 I613 L626 P636 C640 V647 A651 F653 A654 I655 | M611-V638 HydrophobicContact CB-CG1 4.43Å; M611-V638 HydrophobicContact CB-CG2 4.37Å; M611-V638 CarbonylContact O-C 3.54Å; M611-V638 WeakPolarHBondContact O-CA 3.48Å; I613-V638 HydrophobicContact CB-CG1 4Å; I613-V638 HydrophobicContact CD1-CG1 3.84Å; I613-V638 HydrophobicContact CG1-CG1 3.73Å; L626-V638 HydrophobicContact CD1-CG2 4.36Å; P636-V638 HydrophobicContact CB-CG2 4.32Å; P636-V638 HydrophobicContact CG-CG2 4.24Å; V638-C640 HydrophobicContact CG1-CB 4.25Å; V638-V647 HydrophobicContact CB-CG1 4.16Å; V638-V647 HydrophobicContact CG1-CG1 3.45Å; V638-V647 VanDerWaalsContact CG1-CG1 3.45Å; V638-A651 HydrophobicContact CB-CB 3.86Å; V638-A651 HydrophobicContact CG2-CB 3.51Å; V638-F653 PolarHBondContact N-O 3.1Å; V638-A654 CarbonylContact O-C 3.55Å; V638-A654 WeakPolarHBondContact O-CA 3.35Å; V638-I655 PolarHBondContact O-N 2.79Å |
| 639 | I | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 114.4 | 165.9 | -59.3 | 169.9 | 0 | 0 | 0 | 107.4 | I610 M611 I612 I613 I655 I657 A669 P672 L673 | I610-I639 HydrophobicContact CG2-CD1 4.18Å; I610-I639 HydrophobicContact CG2-CG1 4.42Å; M611-I639 PolarHBondContact O-N 3.46Å; I612-I639 HydrophobicContact CG1-CD1 4.38Å; I613-I639 PolarHBondContact N-O 3.39Å; I639-I655 CarbonylContact C-O 3.56Å; I639-I655 WeakPolarHBondContact CA-O 3.23Å; I639-I655 HydrophobicContact CG1-CB 4.07Å; I639-I655 HydrophobicContact CG1-CD1 3.89Å; I639-I655 HydrophobicContact CG1-CG2 4.43Å; I639-I657 HydrophobicContact CG2-CD1 3.74Å; I639-I657 HydrophobicContact CG2-CG1 4.17Å; I639-I657 HydrophobicContact CG2-CG2 4.15Å; I639-A669 HydrophobicContact CG2-CB 4.4Å; I639-P672 HydrophobicContact CD1-CB 4.11Å; I639-L673 HydrophobicContact CD1-CD1 4.25Å; I639-L673 HydrophobicContact CD1-CD2 3.99Å; I639-L673 HydrophobicContact CD1-CG 3.81Å |
| 640 | C | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 165.9 | -174 | 68.2 | 0 | 0 | 0 | 0 | 113.4 | I613 V638 V647 I655 Q656 I657 | I613-C640 VanDerWaalsContact O-CA 3.24Å; I613-C640 WeakPolarHBondContact O-CA 3.18Å; I613-C640 WeakPolarHBondContact O-CB 3.47Å; V638-C640 HydrophobicContact CG1-CB 4.25Å; C640-V647 HydrophobicContact CB-CB 4.26Å; C640-V647 HydrophobicContact CB-CG1 3.78Å; C640-I655 PolarHBondContact N-O 2.58Å; C640-Q656 CarbonylContact O-C 3.51Å; C640-Q656 WeakPolarHBondContact O-CA 3.42Å; C640-I657 WeakPolarHBondContact O-CG1 3.4Å; C640-I657 PolarHBondContact O-N 3.34Å |
| 641 | S | 95.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 143.6 | 171.9 | -61.2 | 0 | 0 | 0 | 0 | 111 | R615 G643 D644 I657 | R615-S641 PolarHBondContact N-OG 2.87Å; S641-G643 PolarHBondContact O-N 2.96Å; S641-D644 WeakPolarHBondContact O-CB 3.45Å; S641-D644 PolarHBondContact O-N 3.29Å; S641-I657 CarbonylContact C-O 3.59Å; S641-I657 WeakPolarHBondContact CA-O 3.31Å |
| 642 | E | 95.2 | Very high | 94.3 | Very high | 111 Ų | 111 | 49 Ų | 49 | 52% | 0.519 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 133 | 172.9 | -78.3 | 170 | -177.7 | 0 | 0 | 111.9 | D644 Q656 I657 | E642-D644 VanDerWaalsContact C-N 3.32Å; E642-D644 PolarHBondContact O-N 3.1Å; E642-Q656 HydrophobicContact CG-CB 3.96Å; E642-I657 PolarHBondContact N-O 3.2Å |
| 643 | G | 92.8 | Very high | 94.3 | Very high | 55 Ų | 55 | 45.9 Ų | 45.9 | 57% | 0.567 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 6.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116 | S641 S645 | S641-G643 PolarHBondContact O-N 2.96Å; G643-S645 VanDerWaalsContact C-N 3.31Å; G643-S645 PolarHBondContact O-N 2.99Å |
| 644 | D | 93 | Very high | 94.4 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | trans | -74.4 | 78.1 | -180 | -161.3 | -25.3 | 0 | 0 | 0 | 113.2 | R615 F619 S641 E642 Q646 V647 M648 | R615-D644 IonicContact CZ-OD1 3.39Å; R615-D644 IonicContact CZ-OD2 3.65Å; R615-D644 VanDerWaalsContact CZ-OD2 3.25Å; R615-D644 IonicContact NE-OD2 3.71Å; R615-D644 PolarHBondContact NE-OD2 3.23Å; R615-D644 IonicContact NH2-OD1 2.74Å; R615-D644 PolarHBondContact NH2-OD1 3.06Å; R615-D644 IonicContact NH2-OD2 3.89Å; R615-D644 PolarHBondContact NH2-OD2 2.88Å; F619-D644 VanDerWaalsContact CE2-OD2 3.29Å; F619-D644 WeakPolarHBondContact CE2-OD2 3.45Å; S641-D644 WeakPolarHBondContact O-CB 3.45Å; S641-D644 PolarHBondContact O-N 3.29Å; E642-D644 VanDerWaalsContact C-N 3.32Å; E642-D644 PolarHBondContact O-N 3.1Å; D644-Q646 PolarHBondContact O-N 3.08Å; D644-Q646 VanDerWaalsContact O-N 3.16Å; D644-Q646 PolarHBondContact OD1-N 2.83Å; D644-V647 HydrophobicContact CB-CB 4.32Å; D644-V647 HydrophobicContact CB-CG2 4.42Å; D644-V647 PolarHBondContact O-N 2.74Å; D644-V647 VanDerWaalsContact O-N 3.13Å; D644-V647 PolarHBondContact OD1-N 2.58Å; D644-M648 VanDerWaalsContact O-CG 3.31Å; D644-M648 WeakPolarHBondContact O-CG 3.34Å; D644-M648 PolarHBondContact O-N 3.3Å | ||
| 645 | S | 92.4 | Very high | 94.6 | Very high | 89 Ų | 89 | 40.7 Ų | 40.7 | 62% | 0.622 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -55 | -32.4 | -179.7 | 56 | 0 | 0 | 0 | 0 | 113.9 | G643 A649 | G643-S645 VanDerWaalsContact C-N 3.31Å; G643-S645 PolarHBondContact O-N 2.99Å; S645-A649 WeakPolarHBondContact O-CB 3.29Å; S645-A649 PolarHBondContact O-N 3.25Å; S645-A649 VanDerWaalsContact O-N 3.15Å |
| 646 | Q | 91.7 | Very high | 94.8 | Very high | 100 Ų | 100 | 38.8 Ų | 38.8 | 47% | 0.467 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.3 | -39.9 | -179.7 | -176.3 | 174.4 | 19.3 | 0 | 0 | 111.6 | L623 D644 | L623-Q646 HydrophobicContact CD1-CG 4.43Å; L623-Q646 HydrophobicContact CD2-CG 4.11Å; D644-Q646 PolarHBondContact O-N 3.08Å; D644-Q646 VanDerWaalsContact O-N 3.16Å; D644-Q646 PolarHBondContact OD1-N 2.83Å |
| 647 | V | 92.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -78 | -41.3 | 177.7 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | I613 F619 L623 L626 V638 C640 D644 A649 D650 A651 | I613-V647 HydrophobicContact CB-CG1 4.31Å; I613-V647 HydrophobicContact CB-CG2 4.41Å; I613-V647 HydrophobicContact CD1-CG1 4.3Å; I613-V647 HydrophobicContact CG2-CG2 3.81Å; F619-V647 HydrophobicContact CE2-CG2 3.79Å; F619-V647 HydrophobicContact CZ-CG2 4.03Å; L623-V647 HydrophobicContact CD1-CG2 4.26Å; L626-V647 HydrophobicContact CD2-CG1 4.49Å; V638-V647 HydrophobicContact CB-CG1 4.16Å; V638-V647 HydrophobicContact CG1-CG1 3.45Å; V638-V647 VanDerWaalsContact CG1-CG1 3.45Å; C640-V647 HydrophobicContact CB-CB 4.26Å; C640-V647 HydrophobicContact CB-CG1 3.78Å; D644-V647 HydrophobicContact CB-CB 4.32Å; D644-V647 HydrophobicContact CB-CG2 4.42Å; D644-V647 PolarHBondContact O-N 2.74Å; D644-V647 VanDerWaalsContact O-N 3.13Å; D644-V647 PolarHBondContact OD1-N 2.58Å; V647-A649 VanDerWaalsContact C-N 3.29Å; V647-A649 PolarHBondContact O-N 2.89Å; V647-D650 PolarHBondContact O-N 3.3Å; V647-D650 VanDerWaalsContact O-N 3.11Å; V647-A651 PolarHBondContact O-N 2.82Å |
| 648 | M | 92.3 | Very high | 94.9 | Very high | 63 Ų | 63 | 38.9 Ų | 38.9 | 31% | 0.31 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.9 | -32.6 | -177.8 | -70.3 | -168.9 | -69.1 | 0 | 0 | 113.4 | D644 D650 A654 Q656 | D644-M648 VanDerWaalsContact O-CG 3.31Å; D644-M648 WeakPolarHBondContact O-CG 3.34Å; D644-M648 PolarHBondContact O-N 3.3Å; M648-D650 PolarHBondContact O-N 3.06Å; M648-A654 HydrophobicContact CB-CB 4.44Å; M648-A654 HydrophobicContact CG-CB 3.71Å; M648-A654 HydrophobicContact SD-CB 4.36Å; M648-Q656 VanDerWaalsContact SD-CD 3.55Å; M648-Q656 HydrophobicContact SD-CG 4.13Å |
| 649 | A | 91.8 | Very high | 94.8 | Very high | 74 Ų | 74 | 44.4 Ų | 44.4 | 61% | 0.612 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | S645 V647 | S645-A649 WeakPolarHBondContact O-CB 3.29Å; S645-A649 PolarHBondContact O-N 3.25Å; S645-A649 VanDerWaalsContact O-N 3.15Å; V647-A649 VanDerWaalsContact C-N 3.29Å; V647-A649 PolarHBondContact O-N 2.89Å |
| 650 | D | 90.6 | Very high | 94.7 | Very high | 40 Ų | 40 | 45.5 Ų | 45.5 | 21% | 0.214 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -12.8 | -170 | -80.6 | 16.9 | 0 | 0 | 0 | 113.2 | L626 R630 V647 M648 | L626-D650 HydrophobicContact CD2-CB 3.66Å; L626-D650 HydrophobicContact CG-CB 4.24Å; R630-D650 WeakPolarHBondContact CD-O 3.28Å; R630-D650 IonicContact CZ-OD1 3.59Å; R630-D650 IonicContact CZ-OD2 3.49Å; R630-D650 PolarHBondContact NE-O 2.72Å; R630-D650 IonicContact NH1-OD1 3.93Å; R630-D650 PolarHBondContact NH1-OD1 3.31Å; R630-D650 IonicContact NH1-OD2 2.63Å; R630-D650 PolarHBondContact NH1-OD2 2.73Å; R630-D650 IonicContact NH2-OD1 3.85Å; V647-D650 PolarHBondContact O-N 3.3Å; V647-D650 VanDerWaalsContact O-N 3.11Å; M648-D650 PolarHBondContact O-N 3.06Å |
| 651 | A | 92.6 | Very high | 94.7 | Very high | 20 Ų | 20 | 47 Ų | 47 | 17% | 0.165 | 28% | 0.279 | C | S | . | . | trans | -82.4 | 145.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V638 V647 F653 A654 | V638-A651 HydrophobicContact CB-CB 3.86Å; V638-A651 HydrophobicContact CG2-CB 3.51Å; V647-A651 PolarHBondContact O-N 2.82Å; A651-F653 VanDerWaalsContact C-N 3.34Å; A651-A654 HydrophobicContact CB-CB 4.39Å | ||
| 652 | S | 93.1 | Very high | 94.7 | Very high | 68 Ų | 68 | 49.1 Ų | 49.1 | 48% | 0.476 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -75.2 | -30.2 | 167.1 | 60.9 | 0 | 0 | 0 | 0 | 112 | H635 P636 I637 | H635-S652 WeakPolarHBondContact O-CB 3.27Å; H635-S652 PolarHBondContact O-OG 3.22Å; P636-S652 PolarHBondContact O-N 2.83Å; P636-S652 PolarHBondContact O-OG 2.95Å; I637-S652 PolarHBondContact N-OG 2.68Å |
| 653 | F | 95.9 | Very high | 94.7 | Very high | 70 Ų | 70 | 44.1 Ų | 44.1 | 31% | 0.307 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 132.4 | 173.7 | -169 | -84.2 | 0 | 0 | 0 | 108.8 | T546 L550 I637 V638 A651 I655 | T546-F653 HydrophobicContact CG2-CE1 4.21Å; T546-F653 HydrophobicContact CG2-CZ 3.56Å; L550-F653 HydrophobicContact CD1-CB 4.28Å; L550-F653 HydrophobicContact CD1-CD1 4.17Å; L550-F653 HydrophobicContact CD1-CD2 4.22Å; L550-F653 HydrophobicContact CD1-CG 3.96Å; L550-F653 HydrophobicContact CD2-CD1 3.96Å; L550-F653 HydrophobicContact CD2-CE1 4.1Å; I637-F653 CarbonylContact C-O 3.48Å; I637-F653 WeakPolarHBondContact CA-O 2.99Å; I637-F653 HydrophobicContact CG1-CB 4.22Å; I637-F653 HydrophobicContact CG2-CB 4.35Å; I637-F653 HydrophobicContact CG2-CD1 4.37Å; V638-F653 PolarHBondContact N-O 3.1Å; A651-F653 VanDerWaalsContact C-N 3.34Å; F653-I655 HydrophobicContact CD1-CG1 3.9Å; F653-I655 HydrophobicContact CE1-CG1 3.86Å |
| 654 | A | 97 | Very high | 95 | Very high | 28 Ų | 28 | 41.5 Ų | 41.5 | 23% | 0.231 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 116.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V638 M648 A651 | V638-A654 CarbonylContact O-C 3.55Å; V638-A654 WeakPolarHBondContact O-CA 3.35Å; M648-A654 HydrophobicContact CB-CB 4.44Å; M648-A654 HydrophobicContact CG-CB 3.71Å; M648-A654 HydrophobicContact SD-CB 4.36Å; A651-A654 HydrophobicContact CB-CB 4.39Å |
| 655 | I | 97.9 | Very high | 95.2 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 100.3 | 171 | -56.8 | 165.7 | 0 | 0 | 0 | 107 | L543 L547 L550 I637 V638 I639 C640 F653 I657 P672 I676 | L543-I655 HydrophobicContact CD1-CG2 4.22Å; L547-I655 HydrophobicContact CD2-CD1 3.66Å; L547-I655 HydrophobicContact CD2-CG1 3.87Å; L547-I655 HydrophobicContact CD2-CG2 4.12Å; L550-I655 HydrophobicContact CD2-CD1 3.89Å; L550-I655 HydrophobicContact CD2-CG1 4.37Å; I637-I655 HydrophobicContact CG2-CD1 3.83Å; I637-I655 HydrophobicContact CG2-CG1 4.32Å; V638-I655 PolarHBondContact O-N 2.79Å; I639-I655 CarbonylContact C-O 3.56Å; I639-I655 WeakPolarHBondContact CA-O 3.23Å; I639-I655 HydrophobicContact CG1-CB 4.07Å; I639-I655 HydrophobicContact CG1-CD1 3.89Å; I639-I655 HydrophobicContact CG1-CG2 4.43Å; C640-I655 PolarHBondContact N-O 2.58Å; F653-I655 HydrophobicContact CD1-CG1 3.9Å; F653-I655 HydrophobicContact CE1-CG1 3.86Å; I655-I657 HydrophobicContact CG2-CG2 4.42Å; I655-P672 HydrophobicContact CD1-CB 4.47Å; I655-P672 HydrophobicContact CG2-CB 3.93Å; I655-P672 HydrophobicContact CG2-CG 3.96Å; I655-I676 HydrophobicContact CD1-CD1 3.75Å |
| 656 | Q | 97.8 | Very high | 95.4 | Very high | 74 Ų | 74 | 37.2 Ų | 37.2 | 35% | 0.346 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 125.9 | -178.3 | -68.7 | 180 | 78.2 | 0 | 0 | 110.4 | L543 C640 E642 M648 | L543-Q656 WeakPolarHBondContact CD1-O 3.26Å; C640-Q656 CarbonylContact O-C 3.51Å; C640-Q656 WeakPolarHBondContact O-CA 3.42Å; E642-Q656 HydrophobicContact CG-CB 3.96Å; M648-Q656 VanDerWaalsContact SD-CD 3.55Å; M648-Q656 HydrophobicContact SD-CG 4.13Å |
| 657 | I | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 151.5 | 176.9 | 62.6 | 172.2 | 0 | 0 | 0 | 110.7 | I540 T614 I639 C640 S641 E642 I655 L668 A669 P672 | I540-I657 HydrophobicContact CD1-CB 4Å; I540-I657 HydrophobicContact CD1-CG2 3.97Å; I540-I657 HydrophobicContact CG1-CB 4.22Å; I540-I657 HydrophobicContact CG1-CG2 4.03Å; I540-I657 HydrophobicContact CG2-CG2 4.46Å; T614-I657 HydrophobicContact CG2-CD1 4.36Å; I639-I657 HydrophobicContact CG2-CD1 3.74Å; I639-I657 HydrophobicContact CG2-CG1 4.17Å; I639-I657 HydrophobicContact CG2-CG2 4.15Å; C640-I657 WeakPolarHBondContact O-CG1 3.4Å; C640-I657 PolarHBondContact O-N 3.34Å; S641-I657 CarbonylContact C-O 3.59Å; S641-I657 WeakPolarHBondContact CA-O 3.31Å; E642-I657 PolarHBondContact N-O 3.2Å; I655-I657 HydrophobicContact CG2-CG2 4.42Å; I657-L668 HydrophobicContact CD1-CB 4.25Å; I657-A669 HydrophobicContact CD1-CB 3.84Å; I657-P672 HydrophobicContact CG2-CG 4Å |
| 658 | P | 97.7 | Very high | 96 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 7% | 0.071 | 19% | 0.188 | C | C | . | . | trans | -57.8 | 146.2 | 177.4 | -23.6 | 32 | 0 | 0 | 0 | 112.7 | Q536 S539 I540 Q665 L668 | Q536-P658 HydrophobicContact CB-CB 4.31Å; Q536-P658 HydrophobicContact CB-CG 4.25Å; Q536-P658 HydrophobicContact CG-CB 4.07Å; Q536-P658 HydrophobicContact CG-CG 4.41Å; S539-P658 WeakPolarHBondContact OG-CG 3.35Å; I540-P658 HydrophobicContact CG1-CG 4.46Å; P658-Q665 PolarHBondContact O-NE2 3.38Å; P658-L668 HydrophobicContact CB-CD1 4.44Å; P658-L668 WeakPolarHBondContact O-CD1 3.33Å | ||
| 659 | E | 96.5 | Very high | 96.3 | Very high | 116 Ų | 116 | 29.5 Ų | 29.5 | 54% | 0.542 | 17% | 0.173 | S | C | . | . | trans | -78.7 | 139.6 | 171.3 | -170.3 | 171.2 | 147.4 | 0 | 0 | 110.8 | Q536 | Q536-E659 PolarHBondContact NE2-O 2.88Š| ||
| 660 | T | 97 | Very high | 96.6 | Very high | 23 Ų | 23 | 26 Ų | 26 | 14% | 0.141 | 15% | 0.145 | C | C | . | . | trans | -144.9 | -176.1 | 173.6 | -165 | 0 | 0 | 0 | 0 | 110.1 | L664 Q665 L668 | T660-L664 HydrophobicContact CG2-CB 3.95Å; T660-Q665 HydrophobicContact CG2-CB 4.24Å; T660-L668 HydrophobicContact CG2-CD1 3.7Å; T660-L668 HydrophobicContact CG2-CG 4.37Å | ||
| 661 | V | 96.8 | Very high | 97 | Very high | 33 Ų | 33 | 24.1 Ų | 24.1 | 20% | 0.2 | 13% | 0.134 | C | C | . | . | trans | -59.8 | 141.9 | 174.1 | -63.5 | 0 | 0 | 0 | 0 | 110.7 | A525 I526 A529 C663 L664 Q665 | A525-V661 HydrophobicContact CB-CG1 4.34Å; I526-V661 HydrophobicContact CG1-CG2 4.31Å; A529-V661 HydrophobicContact CB-CB 4.25Å; A529-V661 HydrophobicContact CB-CG1 3.8Å; A529-V661 HydrophobicContact CB-CG2 3.56Å; V661-C663 VanDerWaalsContact C-N 3.27Å; V661-C663 PolarHBondContact O-N 3.05Å; V661-C663 VanDerWaalsContact O-N 3.11Å; V661-L664 HydrophobicContact CG2-CB 3.81Å; V661-L664 HydrophobicContact CG2-CD1 3.61Å; V661-L664 HydrophobicContact CG2-CG 3.61Å; V661-L664 PolarHBondContact O-N 3.39Å; V661-Q665 PolarHBondContact O-N 3.23Å; V661-Q665 VanDerWaalsContact O-N 3.16Å | ||
| 662 | D | 95.3 | Very high | 97.2 | Very high | 45 Ų | 45 | 23.1 Ų | 23.1 | 24% | 0.241 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -42.3 | -170.9 | 59.6 | -7.2 | 0 | 0 | 0 | 114.2 | Y567 D616 L664 Q665 | Y567-D662 HydrophobicContact CD2-CB 3.96Å; Y567-D662 WeakPolarHBondContact CD2-O 3.49Å; Y567-D662 HydrophobicContact CE2-CB 3.93Å; Y567-D662 WeakPolarHBondContact CE2-OD2 3.21Å; D616-D662 HydrophobicContact CB-CB 4.11Å; D662-L664 VanDerWaalsContact C-N 3.29Å; D662-L664 PolarHBondContact O-N 3.28Å; D662-Q665 PolarHBondContact O-N 3.24Å |
| 663 | C | 96.6 | Very high | 97.5 | Very high | 5 Ų | 5 | 20 Ų | 20 | 3% | 0.034 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -15.9 | -179.8 | 69.4 | 0 | 0 | 0 | 0 | 115 | L407 Y567 V661 | L407-C663 HydrophobicContact CB-CB 4.21Å; L407-C663 HydrophobicContact CD1-CB 4Å; L407-C663 HydrophobicContact CD2-CB 4.06Å; L407-C663 HydrophobicContact CG-CB 4.32Å; Y567-C663 HydrophobicContact CD1-CB 4.19Å; Y567-C663 HydrophobicContact CE1-CB 3.66Å; Y567-C663 HydrophobicContact CE2-CB 4.29Å; V661-C663 VanDerWaalsContact C-N 3.27Å; V661-C663 PolarHBondContact O-N 3.05Å; V661-C663 VanDerWaalsContact O-N 3.11Å |
| 664 | L | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | -12.5 | 176.6 | -66 | -177.6 | 0 | 0 | 0 | 112.9 | I503 V506 I526 A529 L530 T660 V661 D662 S666 V667 | I503-L664 HydrophobicContact CD1-CD2 4.23Å; V506-L664 HydrophobicContact CB-CD2 4.49Å; V506-L664 HydrophobicContact CG1-CD2 4.16Å; V506-L664 HydrophobicContact CG2-CD2 3.83Å; I526-L664 HydrophobicContact CG2-CD1 4.46Å; A529-L664 HydrophobicContact CB-CD1 3.77Å; L530-L664 HydrophobicContact CD2-CD1 3.77Å; L530-L664 HydrophobicContact CD2-CD2 3.9Å; L530-L664 HydrophobicContact CG-CD1 3.85Å; T660-L664 HydrophobicContact CG2-CB 3.95Å; V661-L664 HydrophobicContact CG2-CB 3.81Å; V661-L664 HydrophobicContact CG2-CD1 3.61Å; V661-L664 HydrophobicContact CG2-CG 3.61Å; V661-L664 PolarHBondContact O-N 3.39Å; D662-L664 VanDerWaalsContact C-N 3.29Å; D662-L664 PolarHBondContact O-N 3.28Å; L664-S666 PolarHBondContact O-N 3.08Å; L664-S666 VanDerWaalsContact O-N 3.15Å; L664-V667 WeakPolarHBondContact O-CB 3.08Å; L664-V667 PolarHBondContact O-N 2.92Å |
| 665 | Q | 97.5 | Very high | 97.7 | Very high | 5 Ų | 5 | 15.3 Ų | 15.3 | 2% | 0.023 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.7 | -29.4 | -179.2 | -164.6 | 69.8 | 54.3 | 0 | 0 | 112.4 | T614 P658 T660 V661 D662 V667 L668 A669 | T614-Q665 HydrophobicContact CG2-CG 3.57Å; P658-Q665 PolarHBondContact O-NE2 3.38Å; T660-Q665 HydrophobicContact CG2-CB 4.24Å; V661-Q665 PolarHBondContact O-N 3.23Å; V661-Q665 VanDerWaalsContact O-N 3.16Å; D662-Q665 PolarHBondContact O-N 3.24Å; Q665-V667 VanDerWaalsContact C-N 3.28Å; Q665-V667 PolarHBondContact O-N 2.86Å; Q665-L668 PolarHBondContact O-N 2.93Å; Q665-L668 VanDerWaalsContact O-N 3.17Å; Q665-A669 WeakPolarHBondContact O-CB 3.33Å; Q665-A669 PolarHBondContact O-N 2.83Å |
| 666 | S | 96.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.007 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.9 | -29 | 175.8 | 58 | 0 | 0 | 0 | 0 | 113.5 | T571 L664 V670 | T571-S666 WeakPolarHBondContact OG1-CB 3.31Å; L664-S666 PolarHBondContact O-N 3.08Å; L664-S666 VanDerWaalsContact O-N 3.15Å; S666-V670 PolarHBondContact O-N 2.84Å |
| 667 | V | 98.1 | Very high | 97.8 | Very high | 1 Ų | 1 | 11.5 Ų | 11.5 | 1% | 0.006 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -67.9 | -38.8 | 174.3 | -177.6 | 0 | 0 | 0 | 0 | 110.5 | T499 L502 I503 L533 I537 L664 Q665 V670 I671 | T499-V667 HydrophobicContact CG2-CG1 3.94Å; L502-V667 HydrophobicContact CB-CG2 4.04Å; L502-V667 HydrophobicContact CD2-CG2 3.64Å; L502-V667 HydrophobicContact CG-CG2 4.48Å; I503-V667 HydrophobicContact CD1-CG2 4.19Å; L533-V667 HydrophobicContact CD1-CG1 4.41Å; L533-V667 HydrophobicContact CD2-CG1 4.14Å; I537-V667 HydrophobicContact CD1-CG1 4.37Å; L664-V667 WeakPolarHBondContact O-CB 3.08Å; L664-V667 PolarHBondContact O-N 2.92Å; Q665-V667 VanDerWaalsContact C-N 3.28Å; Q665-V667 PolarHBondContact O-N 2.86Å; V667-V670 WeakPolarHBondContact O-CG1 3.48Å; V667-I671 WeakPolarHBondContact O-CD1 3.49Å |
| 668 | L | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -75.6 | -45 | 178 | -63.8 | -173.5 | 0 | 0 | 0 | 111.6 | L533 Q536 I537 I540 I657 P658 T660 Q665 V670 I671 P672 | L533-L668 HydrophobicContact CD1-CD2 3.68Å; L533-L668 HydrophobicContact CD1-CG 4.06Å; Q536-L668 HydrophobicContact CB-CD1 4.09Å; Q536-L668 HydrophobicContact CB-CD2 3.8Å; I537-L668 HydrophobicContact CG1-CD2 3.89Å; I540-L668 HydrophobicContact CD1-CB 3.64Å; I540-L668 HydrophobicContact CD1-CD2 3.77Å; I540-L668 HydrophobicContact CD1-CG 4.17Å; I657-L668 HydrophobicContact CD1-CB 4.25Å; P658-L668 HydrophobicContact CB-CD1 4.44Å; P658-L668 WeakPolarHBondContact O-CD1 3.33Å; T660-L668 HydrophobicContact CG2-CD1 3.7Å; T660-L668 HydrophobicContact CG2-CG 4.37Å; Q665-L668 PolarHBondContact O-N 2.93Å; Q665-L668 VanDerWaalsContact O-N 3.17Å; L668-V670 VanDerWaalsContact C-N 3.28Å; L668-V670 PolarHBondContact O-N 2.69Å; L668-I671 PolarHBondContact O-N 3.39Å; L668-P672 VanDerWaalsContact O-CD 3.27Å; L668-P672 WeakPolarHBondContact O-CD 3.38Å |
| 669 | A | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -70.1 | -19.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T571 I612 I639 I657 Q665 | T571-A669 HydrophobicContact CG2-CB 4.01Å; I612-A669 HydrophobicContact CG2-CB 3.94Å; I639-A669 HydrophobicContact CG2-CB 4.4Å; I657-A669 HydrophobicContact CD1-CB 3.84Å; Q665-A669 WeakPolarHBondContact O-CB 3.33Å; Q665-A669 PolarHBondContact O-N 2.83Å |
| 670 | V | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 6.3 Ų | 6.3 | 1% | 0.006 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -77.8 | -28.7 | 177.6 | 77.8 | 0 | 0 | 0 | 0 | 112.9 | Y498 T499 T571 E574 S666 V667 L668 L673 Q674 | Y498-V670 HydrophobicContact CD1-CG1 4.11Å; Y498-V670 HydrophobicContact CD1-CG2 4.28Å; Y498-V670 HydrophobicContact CE1-CB 4.09Å; Y498-V670 HydrophobicContact CE1-CG1 3.9Å; Y498-V670 HydrophobicContact CE1-CG2 3.86Å; T499-V670 HydrophobicContact CG2-CG1 3.97Å; T571-V670 HydrophobicContact CG2-CB 3.89Å; T571-V670 HydrophobicContact CG2-CG2 4.29Å; E574-V670 HydrophobicContact CB-CG2 4.34Å; E574-V670 HydrophobicContact CG-CG2 3.8Å; S666-V670 PolarHBondContact O-N 2.84Å; V667-V670 WeakPolarHBondContact O-CG1 3.48Å; L668-V670 VanDerWaalsContact C-N 3.28Å; L668-V670 PolarHBondContact O-N 2.69Å; V670-L673 WeakPolarHBondContact O-CB 3.49Å; V670-L673 PolarHBondContact O-N 3.07Å; V670-Q674 HydrophobicContact CG2-CG 4.47Å; V670-Q674 WeakPolarHBondContact O-CG 3.48Å; V670-Q674 PolarHBondContact O-N 3.33Å |
| 671 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -63 | -44.5 | -173.3 | -66.2 | 156.4 | 0 | 0 | 0 | 112.1 | I537 I540 L541 V667 L668 L673 Q674 L675 | I537-I671 HydrophobicContact CB-CD1 4.14Å; I537-I671 HydrophobicContact CD1-CD1 4.39Å; I537-I671 HydrophobicContact CG1-CD1 3.72Å; I537-I671 HydrophobicContact CG2-CD1 3.72Å; I540-I671 HydrophobicContact CG2-CB 4.1Å; I540-I671 HydrophobicContact CG2-CG2 3.82Å; L541-I671 HydrophobicContact CD2-CG2 3.85Å; V667-I671 WeakPolarHBondContact O-CD1 3.49Å; L668-I671 PolarHBondContact O-N 3.39Å; I671-L673 PolarHBondContact O-N 2.85Å; I671-Q674 WeakPolarHBondContact O-CB 3.42Å; I671-Q674 PolarHBondContact O-N 2.79Å; I671-Q674 VanDerWaalsContact O-N 3.17Å; I671-L675 HydrophobicContact CG2-CD1 4.18Å; I671-L675 PolarHBondContact O-N 2.88Å |
| 672 | P | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -58.8 | -35.5 | 173.7 | -25.6 | 35 | 0 | 0 | 0 | 113.2 | I540 L547 I639 I655 I657 L668 L675 I676 | I540-P672 HydrophobicContact CG2-CG 3.89Å; L547-P672 HydrophobicContact CD1-CB 4.03Å; L547-P672 HydrophobicContact CD2-CB 4.48Å; I639-P672 HydrophobicContact CD1-CB 4.11Å; I655-P672 HydrophobicContact CD1-CB 4.47Å; I655-P672 HydrophobicContact CG2-CB 3.93Å; I655-P672 HydrophobicContact CG2-CG 3.96Å; I657-P672 HydrophobicContact CG2-CG 4Å; L668-P672 VanDerWaalsContact O-CD 3.27Å; L668-P672 WeakPolarHBondContact O-CD 3.38Å; P672-L675 PolarHBondContact O-N 3.44Å; P672-I676 WeakPolarHBondContact O-CB 3.15Å; P672-I676 WeakPolarHBondContact O-CD1 3.37Å; P672-I676 WeakPolarHBondContact O-CG1 3.26Å; P672-I676 PolarHBondContact O-N 3.18Å |
| 673 | L | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 7.9 Ų | 7.9 | 1% | 0.005 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -70 | -36.6 | 178.3 | -64.8 | 165.4 | 0 | 0 | 0 | 111.7 | V562 T571 I610 I612 I639 V670 I671 S677 | V562-L673 HydrophobicContact CG1-CD1 4.37Å; V562-L673 HydrophobicContact CG1-CD2 4.32Å; T571-L673 HydrophobicContact CG2-CD1 3.87Å; I610-L673 HydrophobicContact CD1-CD2 4.08Å; I610-L673 HydrophobicContact CG2-CD2 3.87Å; I612-L673 HydrophobicContact CD1-CD1 4.06Å; I639-L673 HydrophobicContact CD1-CD1 4.25Å; I639-L673 HydrophobicContact CD1-CD2 3.99Å; I639-L673 HydrophobicContact CD1-CG 3.81Å; V670-L673 WeakPolarHBondContact O-CB 3.49Å; V670-L673 PolarHBondContact O-N 3.07Å; I671-L673 PolarHBondContact O-N 2.85Å; L673-S677 WeakPolarHBondContact O-CB 3.34Å; L673-S677 PolarHBondContact O-N 3.36Å; L673-S677 PolarHBondContact O-OG 2.68Å |
| 674 | Q | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -62.1 | -48.6 | 172.2 | -66.7 | 168.3 | -15.2 | 0 | 0 | 110.9 | I349 V670 I671 S677 F678 | I349-Q674 HydrophobicContact CD1-CB 3.93Å; I349-Q674 HydrophobicContact CG1-CB 4.1Å; V670-Q674 HydrophobicContact CG2-CG 4.47Å; V670-Q674 WeakPolarHBondContact O-CG 3.48Å; V670-Q674 PolarHBondContact O-N 3.33Å; I671-Q674 WeakPolarHBondContact O-CB 3.42Å; I671-Q674 PolarHBondContact O-N 2.79Å; I671-Q674 VanDerWaalsContact O-N 3.17Å; Q674-S677 PolarHBondContact O-N 3.38Å; Q674-F678 WeakPolarHBondContact O-CB 3.43Å; Q674-F678 PolarHBondContact O-N 2.93Å |
| 675 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.4 | -44.7 | 179 | -71.3 | 173.8 | 0 | 0 | 0 | 112.5 | I349 F350 L541 L547 I671 P672 S677 F678 H679 | I349-L675 HydrophobicContact CD1-CD2 4.34Å; I349-L675 HydrophobicContact CG2-CD2 3.64Å; I349-L675 HydrophobicContact CG2-CG 4.01Å; F350-L675 HydrophobicContact CE2-CD2 3.76Å; F350-L675 HydrophobicContact CZ-CD2 4.39Å; L541-L675 HydrophobicContact CD2-CD1 4.27Å; L547-L675 HydrophobicContact CD1-CB 3.76Å; L547-L675 HydrophobicContact CD1-CD1 3.66Å; L547-L675 HydrophobicContact CD1-CG 4.37Å; I671-L675 HydrophobicContact CG2-CD1 4.18Å; I671-L675 PolarHBondContact O-N 2.88Å; P672-L675 PolarHBondContact O-N 3.44Å; L675-S677 VanDerWaalsContact C-N 3.31Å; L675-S677 PolarHBondContact O-N 3.31Å; L675-F678 PolarHBondContact O-N 2.83Å; L675-H679 WeakPolarHBondContact O-CB 3.28Å; L675-H679 PolarHBondContact O-CD2 2.98Å; L675-H679 PolarHBondContact O-N 2.78Å |
| 676 | I | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.1 | -44.6 | 175.1 | -71.2 | 164.7 | 0 | 0 | 0 | 110.3 | L547 L550 I554 I655 P672 H679 I680 | L547-I676 HydrophobicContact CB-CG1 4.42Å; L547-I676 HydrophobicContact CD2-CD1 4.16Å; L547-I676 HydrophobicContact CD2-CG1 4.08Å; L550-I676 HydrophobicContact CD2-CD1 4.03Å; L550-I676 HydrophobicContact CD2-CG1 4.43Å; I554-I676 HydrophobicContact CD1-CG2 4.11Å; I655-I676 HydrophobicContact CD1-CD1 3.75Å; P672-I676 WeakPolarHBondContact O-CB 3.15Å; P672-I676 WeakPolarHBondContact O-CD1 3.37Å; P672-I676 WeakPolarHBondContact O-CG1 3.26Å; P672-I676 PolarHBondContact O-N 3.18Å; I676-H679 PolarHBondContact O-N 3.33Å; I676-I680 HydrophobicContact CG2-CD1 3.65Å; I676-I680 HydrophobicContact CG2-CG1 4.3Å; I676-I680 WeakPolarHBondContact O-CB 3.06Å; I676-I680 VanDerWaalsContact O-CG1 3.24Å; I676-I680 WeakPolarHBondContact O-CG1 3.33Å; I676-I680 PolarHBondContact O-N 2.95Å |
| 677 | S | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.7 | -44.1 | 178.8 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | L579 T583 L673 Q674 L675 A681 | L579-S677 WeakPolarHBondContact CD2-OG 3.4Å; L579-S677 WeakPolarHBondContact CG-OG 3.38Å; L579-S677 PolarHBondContact N-OG 3.18Å; T583-S677 WeakPolarHBondContact CG2-O 3.46Å; L673-S677 WeakPolarHBondContact O-CB 3.34Å; L673-S677 PolarHBondContact O-N 3.36Å; L673-S677 PolarHBondContact O-OG 2.68Å; Q674-S677 PolarHBondContact O-N 3.38Å; L675-S677 VanDerWaalsContact C-N 3.31Å; L675-S677 PolarHBondContact O-N 3.31Å; S677-A681 WeakPolarHBondContact O-CB 3.48Å; S677-A681 PolarHBondContact O-N 2.83Å; S677-A681 VanDerWaalsContact O-N 3.1Å |
| 678 | F | 98.5 | Very high | 97.5 | Very high | 7 Ų | 7 | 18.6 Ų | 18.6 | 3% | 0.031 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.4 | -53.6 | 174.6 | 166.5 | -100.6 | 0 | 0 | 0 | 111.5 | Y343 Q346 I349 Q674 L675 I680 A681 V682 V688 | Y343-F678 AromaticContact CD2-CE2 3.55Å; Y343-F678 HydrophobicContact CD2-CE2 3.55Å; Y343-F678 AromaticContact CD2-CZ 3.79Å; Y343-F678 HydrophobicContact CD2-CZ 3.79Å; Y343-F678 HydrophobicContact CE2-CE2 4.22Å; Y343-F678 HydrophobicContact CE2-CZ 4.29Å; Y343-F678 HydrophobicContact CG-CE2 4.05Å; Q346-F678 HydrophobicContact CB-CD2 4.42Å; Q346-F678 HydrophobicContact CB-CE1 4.45Å; Q346-F678 HydrophobicContact CB-CE2 3.75Å; Q346-F678 HydrophobicContact CB-CZ 3.77Å; Q346-F678 HydrophobicContact CG-CE1 4.12Å; Q346-F678 HydrophobicContact CG-CE2 4.3Å; Q346-F678 HydrophobicContact CG-CZ 3.81Å; I349-F678 HydrophobicContact CD1-CB 4.27Å; Q674-F678 WeakPolarHBondContact O-CB 3.43Å; Q674-F678 PolarHBondContact O-N 2.93Å; L675-F678 PolarHBondContact O-N 2.83Å; F678-I680 PolarHBondContact O-N 3.16Å; F678-A681 PolarHBondContact O-N 3.1Å; F678-A681 VanDerWaalsContact O-N 3.15Å; F678-V682 HydrophobicContact CD2-CG2 4.2Å; F678-V682 HydrophobicContact CE1-CG2 4.25Å; F678-V682 HydrophobicContact CE2-CG2 3.75Å; F678-V682 HydrophobicContact CZ-CG2 3.78Å; F678-V682 WeakPolarHBondContact O-CG2 3.37Å; F678-V682 PolarHBondContact O-N 3.08Å; F678-V688 HydrophobicContact CD2-CB 4.32Å; F678-V688 HydrophobicContact CD2-CG1 4.05Å; F678-V688 HydrophobicContact CD2-CG2 4.13Å; F678-V688 HydrophobicContact CE2-CG1 4.44Å; F678-V688 HydrophobicContact CE2-CG2 3.99Å |
| 679 | H | 98.5 | Very high | 97.2 | Very high | 11 Ų | 11 | 19.1 Ų | 19.1 | 5% | 0.051 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65 | -37.8 | -177.1 | -74.1 | -56.8 | 0 | 0 | 0 | 113 | D544 A551 L675 I676 A681 Q683 | D544-H679 IonicContact OD1-CD2 2.82Å; D544-H679 IonicContact OD1-CE1 2.76Å; D544-H679 PolarHBondContact OD1-CE1 2.83Å; D544-H679 IonicContact OD1-NE2 3.4Å; D544-H679 PolarHBondContact OD1-NE2 2.94Å; D544-H679 IonicContact OD2-NE2 2.91Å; A551-H679 HydrophobicContact CB-CB 3.49Å; A551-H679 VanDerWaalsContact CB-CB 3.49Å; L675-H679 WeakPolarHBondContact O-CB 3.28Å; L675-H679 PolarHBondContact O-CD2 2.98Å; L675-H679 PolarHBondContact O-N 2.78Å; I676-H679 PolarHBondContact O-N 3.33Å; H679-A681 VanDerWaalsContact C-N 3.35Å; H679-Q683 VanDerWaalsContact O-CB 3.27Å; H679-Q683 WeakPolarHBondContact O-CB 3.37Å; H679-Q683 PolarHBondContact O-N 3.12Å |
| 680 | I | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.1 | -44.3 | 173.5 | -70.6 | 171 | 0 | 0 | 0 | 110.5 | A551 I554 I560 L579 T583 M585 I676 F678 Q683 R684 | A551-I680 HydrophobicContact CB-CG1 3.85Å; I554-I680 HydrophobicContact CD1-CD1 3.87Å; I554-I680 HydrophobicContact CG1-CD1 3.91Å; I554-I680 HydrophobicContact CG1-CG1 4.37Å; I560-I680 HydrophobicContact CD1-CD1 4.28Å; L579-I680 HydrophobicContact CD2-CD1 3.9Å; T583-I680 HydrophobicContact CG2-CB 3.74Å; T583-I680 HydrophobicContact CG2-CG2 3.45Å; T583-I680 VanDerWaalsContact CG2-CG2 3.45Å; M585-I680 HydrophobicContact SD-CD1 4.42Å; M585-I680 HydrophobicContact SD-CG2 3.82Å; I676-I680 HydrophobicContact CG2-CD1 3.65Å; I676-I680 HydrophobicContact CG2-CG1 4.3Å; I676-I680 WeakPolarHBondContact O-CB 3.06Å; I676-I680 VanDerWaalsContact O-CG1 3.24Å; I676-I680 WeakPolarHBondContact O-CG1 3.33Å; I676-I680 PolarHBondContact O-N 2.95Å; F678-I680 PolarHBondContact O-N 3.16Å; I680-Q683 PolarHBondContact O-N 2.77Å; I680-R684 WeakPolarHBondContact O-CB 3.44Å; I680-R684 WeakPolarHBondContact O-CG 3.41Å; I680-R684 PolarHBondContact O-N 3.36Å |
| 681 | A | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.6 | -44.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L582 T583 S677 F678 H679 Q683 R684 G685 L686 V688 | L582-A681 HydrophobicContact CB-CB 4.07Å; L582-A681 WeakPolarHBondContact O-CB 3.5Å; T583-A681 HydrophobicContact CG2-CB 4.31Å; S677-A681 WeakPolarHBondContact O-CB 3.48Å; S677-A681 PolarHBondContact O-N 2.83Å; S677-A681 VanDerWaalsContact O-N 3.1Å; F678-A681 PolarHBondContact O-N 3.1Å; F678-A681 VanDerWaalsContact O-N 3.15Å; H679-A681 VanDerWaalsContact C-N 3.35Å; A681-Q683 PolarHBondContact O-N 3.27Å; A681-R684 CarbonylContact O-C 3.56Å; A681-R684 PolarHBondContact O-N 3.33Å; A681-R684 VanDerWaalsContact O-N 3.16Å; A681-G685 PolarHBondContact O-N 2.89Å; A681-L686 HydrophobicContact CB-CB 4.39Å; A681-L686 WeakPolarHBondContact O-CB 3.3Å; A681-L686 PolarHBondContact O-N 2.84Å; A681-V688 HydrophobicContact CB-CG1 3.5Å |
| 682 | V | 97.4 | Very high | 95.7 | Very high | 51 Ų | 51 | 26.5 Ų | 26.5 | 31% | 0.309 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -59.8 | -46.2 | 173.5 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | Y343 F678 R684 G685 V688 | Y343-V682 HydrophobicContact CD2-CG2 4.5Å; Y343-V682 HydrophobicContact CE2-CG2 3.88Å; F678-V682 HydrophobicContact CD2-CG2 4.2Å; F678-V682 HydrophobicContact CE1-CG2 4.25Å; F678-V682 HydrophobicContact CE2-CG2 3.75Å; F678-V682 HydrophobicContact CZ-CG2 3.78Å; F678-V682 WeakPolarHBondContact O-CG2 3.37Å; F678-V682 PolarHBondContact O-N 3.08Å; V682-R684 PolarHBondContact O-N 3.23Å; V682-G685 PolarHBondContact O-N 3.06Å; V682-V688 HydrophobicContact CG2-CG1 4.15Å |
| 683 | Q | 97 | Very high | 95.1 | Very high | 83 Ų | 83 | 32.5 Ų | 32.5 | 39% | 0.388 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63 | -26.7 | 178.6 | -171 | 61.9 | 45 | 0 | 0 | 112.8 | Y555 H679 I680 A681 G685 | Y555-Q683 HydrophobicContact CD1-CG 3.78Å; Y555-Q683 HydrophobicContact CD2-CB 4.2Å; Y555-Q683 HydrophobicContact CD2-CG 3.53Å; Y555-Q683 HydrophobicContact CE1-CG 4.11Å; Y555-Q683 HydrophobicContact CE2-CG 3.85Å; Y555-Q683 HydrophobicContact CG-CB 4.17Å; Y555-Q683 HydrophobicContact CG-CG 3.47Å; Y555-Q683 VanDerWaalsContact CG-CG 3.47Å; H679-Q683 VanDerWaalsContact O-CB 3.27Å; H679-Q683 WeakPolarHBondContact O-CB 3.37Å; H679-Q683 PolarHBondContact O-N 3.12Å; I680-Q683 PolarHBondContact O-N 2.77Å; A681-Q683 PolarHBondContact O-N 3.27Å; Q683-G685 VanDerWaalsContact C-N 3.32Å |
| 684 | R | 96.7 | Very high | 94.4 | Very high | 79 Ų | 79 | 35.6 Ų | 35.6 | 30% | 0.298 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -1 | 173.6 | -73.4 | -179.7 | 171 | -150.2 | -8.1 | 113.8 | Y555 K557 T583 M585 I680 A681 V682 L686 | Y555-R684 HydrophobicContact CD2-CG 4.08Å; Y555-R684 PolarHBondContact O-NE 3.01Å; Y555-R684 PolarHBondContact O-NH2 3.1Å; K557-R684 PolarHBondContact O-NH2 2.96Å; T583-R684 PolarHBondContact O-NH1 3.45Å; M585-R684 PolarHBondContact SD-NH2 3.33Å; M585-R684 VanDerWaalsContact SD-NH2 3.37Å; I680-R684 WeakPolarHBondContact O-CB 3.44Å; I680-R684 WeakPolarHBondContact O-CG 3.41Å; I680-R684 PolarHBondContact O-N 3.36Å; A681-R684 CarbonylContact O-C 3.56Å; A681-R684 PolarHBondContact O-N 3.33Å; A681-R684 VanDerWaalsContact O-N 3.16Å; V682-R684 PolarHBondContact O-N 3.23Å; R684-L686 VanDerWaalsContact C-N 3.27Å; R684-L686 HydrophobicContact CB-CD1 3.9Å; R684-L686 HydrophobicContact CB-CG 3.73Å; R684-L686 PolarHBondContact O-N 3.17Å |
| 685 | G | 95.9 | Very high | 93.6 | Very high | 71 Ų | 71 | 36.1 Ų | 36.1 | 73% | 0.732 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67 | 27.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | A681 V682 Q683 | A681-G685 PolarHBondContact O-N 2.89Å; V682-G685 PolarHBondContact O-N 3.06Å; Q683-G685 VanDerWaalsContact C-N 3.32Å |
| 686 | L | 95.8 | Very high | 93 | Very high | 41 Ų | 41 | 37.1 Ų | 37.1 | 22% | 0.215 | 20% | 0.198 | C | C | . | . | trans | -90.8 | 150.8 | 179.8 | -57.3 | 178.5 | 0 | 0 | 0 | 110.9 | L582 Y584 A681 R684 V688 | L582-L686 WeakPolarHBondContact O-CD1 3.31Å; Y584-L686 HydrophobicContact CD2-CD1 3.61Å; Y584-L686 HydrophobicContact CD2-CD2 4.16Å; Y584-L686 HydrophobicContact CE2-CD1 3.57Å; Y584-L686 HydrophobicContact CE2-CD2 3.69Å; Y584-L686 HydrophobicContact CE2-CG 4.13Å; Y584-L686 HydrophobicContact CG-CD1 4.45Å; A681-L686 HydrophobicContact CB-CB 4.39Å; A681-L686 WeakPolarHBondContact O-CB 3.3Å; A681-L686 PolarHBondContact O-N 2.84Å; R684-L686 VanDerWaalsContact C-N 3.27Å; R684-L686 HydrophobicContact CB-CD1 3.9Å; R684-L686 HydrophobicContact CB-CG 3.73Å; R684-L686 PolarHBondContact O-N 3.17Å; L686-V688 PolarHBondContact O-N 3.4Å | ||
| 687 | D | 92.6 | Very high | 92.2 | Very high | 46 Ų | 46 | 37.5 Ų | 37.5 | 25% | 0.246 | 20% | 0.201 | C | C | . | . | trans | -80.4 | 109.6 | 171.7 | -170.6 | -19.3 | 0 | 0 | 0 | 110.4 | K71 D689 C690 | K71-D687 IonicContact NZ-OD2 3.57Å; K71-D687 PolarHBondContact NZ-OD2 2.73Å; D687-D689 PolarHBondContact OD1-N 3.11Å; D687-C690 CarbonylContact O-C 3.57Å; D687-C690 PolarHBondContact OD1-N 2.95Å; D687-C690 VanDerWaalsContact OD1-N 3.11Å | ||
| 688 | V | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -75 | -23.8 | 179.8 | -64 | 0 | 0 | 0 | 0 | 113.5 | Y343 M345 L582 F678 A681 V682 L686 | Y343-V688 HydrophobicContact CD1-CG2 3.15Å; Y343-V688 HydrophobicContact CD2-CG2 4.03Å; Y343-V688 HydrophobicContact CE1-CG2 3.74Å; Y343-V688 HydrophobicContact CG-CG2 3.3Å; M345-V688 HydrophobicContact SD-CB 4.43Å; L582-V688 HydrophobicContact CD2-CB 4.42Å; L582-V688 WeakPolarHBondContact CD2-O 3.41Å; F678-V688 HydrophobicContact CD2-CB 4.32Å; F678-V688 HydrophobicContact CD2-CG1 4.05Å; F678-V688 HydrophobicContact CD2-CG2 4.13Å; F678-V688 HydrophobicContact CE2-CG1 4.44Å; F678-V688 HydrophobicContact CE2-CG2 3.99Å; A681-V688 HydrophobicContact CB-CG1 3.5Å; V682-V688 HydrophobicContact CG2-CG1 4.15Å; L686-V688 PolarHBondContact O-N 3.4Å |
| 689 | D | 92.9 | Very high | 90.6 | Very high | 11 Ų | 11 | 40.8 Ų | 40.8 | 6% | 0.059 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -84.7 | -28.3 | 179.9 | -70.9 | -24 | 0 | 0 | 0 | 110.7 | K338 Y343 F344 M345 V492 D687 | K338-D689 VanDerWaalsContact CE-OD2 3.27Å; K338-D689 WeakPolarHBondContact CE-OD2 3.21Å; K338-D689 IonicContact NZ-OD2 2.67Å; K338-D689 PolarHBondContact NZ-OD2 2.71Å; Y343-D689 WeakPolarHBondContact CA-OD2 3.43Å; F344-D689 WeakPolarHBondContact CA-OD1 3.41Å; F344-D689 WeakPolarHBondContact CB-OD1 3.42Å; F344-D689 VanDerWaalsContact N-CG 3.31Å; F344-D689 PolarHBondContact N-OD1 2.85Å; F344-D689 PolarHBondContact N-OD2 2.96Å; M345-D689 PolarHBondContact N-OD1 3.4Å; V492-D689 WeakPolarHBondContact CG2-O 3.3Å; D687-D689 PolarHBondContact OD1-N 3.11Å |
| 690 | C | 88.9 | Confident | 89.6 | Confident | 15 Ų | 15 | 41.1 Ų | 41.1 | 10% | 0.101 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -129.8 | 68.3 | -179 | -64.9 | 0 | 0 | 0 | 0 | 112.6 | Y35 D687 R692 | Y35-C690 HydrophobicContact CD1-CB 4.06Å; Y35-C690 HydrophobicContact CD2-CB 4.26Å; Y35-C690 HydrophobicContact CE1-CB 3.89Å; Y35-C690 HydrophobicContact CE2-CB 4.07Å; Y35-C690 HydrophobicContact CG-CB 4.26Å; D687-C690 CarbonylContact O-C 3.57Å; D687-C690 PolarHBondContact OD1-N 2.95Å; D687-C690 VanDerWaalsContact OD1-N 3.11Å; C690-R692 PolarHBondContact O-N 2.79Å |
| 691 | P | 90.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -67 | 129 | 179.3 | 28 | -34 | 0 | 0 | 0 | 111.6 | Y35 V492 E581 Y584 L694 | Y35-P691 PolarHBondContact OH-O 3.01Å; V492-P691 HydrophobicContact CB-CG 3.87Å; V492-P691 HydrophobicContact CG1-CG 3.64Å; E581-P691 WeakPolarHBondContact O-CB 3.34Å; Y584-P691 HydrophobicContact CE1-CB 4.41Å; Y584-P691 WeakPolarHBondContact OH-CA 3.47Å; P691-L694 HydrophobicContact CG-CD1 4.37Å; P691-L694 PolarHBondContact O-N 3.4Å | ||
| 692 | R | 86 | Confident | 87.4 | Confident | 140 Ų | 140 | 52.8 Ų | 52.8 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | 148.4 | -171.8 | 76.7 | -167.7 | 172.6 | 163.3 | 0.8 | 113.5 | Y584 C690 L694 | Y584-R692 HydrophobicContact CD1-CG 4.32Å; Y584-R692 HydrophobicContact CE1-CG 3.61Å; Y584-R692 HydrophobicContact CE2-CG 4.07Å; Y584-R692 VanDerWaalsContact CZ-CG 3.48Å; Y584-R692 PolarHBondContact OH-N 3.17Å; C690-R692 PolarHBondContact O-N 2.79Å; R692-L694 PolarHBondContact O-N 2.9Å |
| 693 | N | 85.2 | Confident | 86.9 | Confident | 127 Ų | 127 | 52.8 Ų | 52.8 | 68% | 0.679 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 4.7 | 176.9 | -49.3 | -24.7 | 0 | 0 | 0 | 115.2 | ||
| 694 | L | 84.2 | Confident | 86.3 | Confident | 65 Ų | 65 | 51.2 Ų | 51.2 | 34% | 0.34 | 27% | 0.272 | S | S | . | . | trans | -125.5 | 155.3 | -175.6 | -60.4 | 172.4 | 0 | 0 | 0 | 111.4 | Y35 V492 E581 P691 R692 | Y35-L694 VanDerWaalsContact CE1-O 3.25Å; Y35-L694 WeakPolarHBondContact CE1-O 3.39Å; Y35-L694 VanDerWaalsContact CZ-O 3.24Å; Y35-L694 PolarHBondContact OH-O 2.79Å; V492-L694 HydrophobicContact CG1-CB 4.22Å; E581-L694 HydrophobicContact CB-CD1 4.29Å; E581-L694 HydrophobicContact CG-CD1 4Å; P691-L694 HydrophobicContact CG-CD1 4.37Å; P691-L694 PolarHBondContact O-N 3.4Å; R692-L694 PolarHBondContact O-N 2.9Å | ||
| 695 | A | 81.8 | Confident | 85.7 | Confident | 11 Ų | 11 | 49.5 Ų | 49.5 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | trans | -129.4 | 159.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109 | R33 W104 S697 | R33-A695 WeakPolarHBondContact O-CB 3.39Å; W104-A695 HydrophobicContact CB-CB 4.38Å; W104-A695 HydrophobicContact CD2-CB 3.51Å; W104-A695 HydrophobicContact CE3-CB 3.57Å; W104-A695 HydrophobicContact CG-CB 3.91Å; W104-A695 HydrophobicContact CH2-CB 4.38Å; W104-A695 HydrophobicContact CZ2-CB 4.36Å; W104-A695 HydrophobicContact CZ3-CB 4.01Å; A695-S697 PolarHBondContact O-N 3.21Å; A695-S697 VanDerWaalsContact O-N 3.13Å | ||
| 696 | K | 86.3 | Confident | 85.1 | Confident | 22 Ų | 22 | 48.2 Ų | 48.2 | 10% | 0.096 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -55 | -35.5 | -175.9 | 179.6 | 64 | -175.7 | 168.7 | 0 | 115 | Y32 E489 G491 V492 S494 | Y32-K696 HydrophobicContact CD2-CB 3.72Å; Y32-K696 HydrophobicContact CD2-CG 3.85Å; Y32-K696 HydrophobicContact CE2-CB 4.13Å; Y32-K696 HydrophobicContact CE2-CG 3.9Å; Y32-K696 WeakPolarHBondContact O-CB 3.31Å; Y32-K696 PolarHBondContact O-N 2.77Å; E489-K696 WeakPolarHBondContact OE2-CE 3.37Å; E489-K696 IonicContact OE2-NZ 3.77Å; E489-K696 PolarHBondContact OE2-NZ 3.18Å; G491-K696 WeakPolarHBondContact O-CD 3.41Å; G491-K696 VanDerWaalsContact O-CE 3.27Å; G491-K696 WeakPolarHBondContact O-CE 3.36Å; G491-K696 PolarHBondContact O-NZ 3.03Å; V492-K696 HydrophobicContact CG2-CB 4.35Å; V492-K696 VanDerWaalsContact O-CD 3.25Å; V492-K696 WeakPolarHBondContact O-CD 3.3Å; V492-K696 PolarHBondContact O-NZ 2.87Å; V492-K696 VanDerWaalsContact O-NZ 3.16Å; S494-K696 PolarHBondContact OG-NZ 3.03Å |
| 697 | S | 80.7 | Confident | 84.4 | Confident | 8 Ų | 8 | 48.7 Ų | 48.7 | 6% | 0.056 | 24% | 0.244 | C | C | . | . | trans | -140.3 | 127.8 | -174.5 | -171.8 | 0 | 0 | 0 | 0 | 111 | M1 S443 A695 T699 | M1-S697 PolarHBondContact N-O 2.87Å; S443-S697 VanDerWaalsContact CB-OG 3.29Å; S443-S697 WeakPolarHBondContact CB-OG 3.3Å; S443-S697 PolarHBondContact OG-OG 2.95Å; A695-S697 PolarHBondContact O-N 3.21Å; A695-S697 VanDerWaalsContact O-N 3.13Å; S697-T699 PolarHBondContact O-N 3.06Å; S697-T699 WeakPolarHBondContact OG-CG2 3.46Å | ||
| 698 | V | 83.9 | Confident | 83.8 | Confident | 66 Ų | 66 | 48.9 Ų | 48.9 | 40% | 0.4 | 24% | 0.244 | S | C | . | . | trans | -89.6 | 100.8 | 176.1 | -172.8 | 0 | 0 | 0 | 0 | 108.7 | W104 T446 A447 V700 | W104-V698 HydrophobicContact CH2-CG2 4.11Å; T446-V698 VanDerWaalsContact CA-O 3.27Å; T446-V698 WeakPolarHBondContact CA-O 3.45Å; A447-V698 PolarHBondContact N-O 3.29Å; V698-V700 WeakPolarHBondContact CG1-O 3.45Å | ||
| 699 | T | 79.8 | Confident | 83 | Confident | 9 Ų | 9 | 52.6 Ų | 52.6 | 6% | 0.055 | 26% | 0.263 | C | S | . | . | trans | -118.6 | 11.8 | -170.8 | 64.4 | 0 | 0 | 0 | 0 | 113.3 | M1 E445 S697 | M1-T699 HydrophobicContact CB-CG2 4.03Å; M1-T699 WeakPolarHBondContact CB-OG1 3.33Å; M1-T699 HydrophobicContact CE-CG2 3.26Å; M1-T699 WeakPolarHBondContact CE-OG1 3.37Å; M1-T699 HydrophobicContact CG-CG2 4.48Å; M1-T699 VanDerWaalsContact CG-OG1 3.28Å; M1-T699 WeakPolarHBondContact CG-OG1 3.47Å; E445-T699 HydrophobicContact CB-CG2 3.83Å; E445-T699 WeakPolarHBondContact O-CB 3.41Å; E445-T699 WeakPolarHBondContact O-CG2 3.06Å; S697-T699 PolarHBondContact O-N 3.06Å; S697-T699 WeakPolarHBondContact OG-CG2 3.46Å | ||
| 700 | V | 77.7 | Confident | 82.2 | Confident | 19 Ų | 19 | 56.1 Ų | 56.1 | 12% | 0.115 | 28% | 0.28 | C | S | . | . | trans | -137.6 | 152 | 172.6 | -63.8 | 0 | 0 | 0 | 0 | 106.3 | T106 I133 V698 | T106-V700 HydrophobicContact CG2-CG2 3.93Å; I133-V700 HydrophobicContact CD1-CB 3.68Å; I133-V700 HydrophobicContact CD1-CG1 4.45Å; I133-V700 HydrophobicContact CD1-CG2 3.97Å; I133-V700 HydrophobicContact CG1-CB 3.91Å; I133-V700 HydrophobicContact CG1-CG1 4.12Å; I133-V700 HydrophobicContact CG1-CG2 4.3Å; V698-V700 WeakPolarHBondContact CG1-O 3.45Å | ||
| 701 | E | 61.9 | Low | 81.6 | Confident | 191 Ų | 191 | 59.8 Ų | 59.8 | 89% | 0.893 | 30% | 0.296 | S | S | * | . | trans | -67.4 | 0 | 175.4 | -68.2 | 179.2 | 172 | 0 | 0 | 112.3 | I133 L451 | I133-E701 VanDerWaalsContact CD1-O 3.32Å; I133-E701 WeakPolarHBondContact CD1-O 3.49Å; L451-E701 HydrophobicContact CD1-CG 4.34Å; L451-E701 WeakPolarHBondContact CD1-OE1 3.22Å |
Retrieved 701 of 701 residues in 481.5 ms
(Link to these results)