A0A096NK81_PAPAN Loading...

Metastasis associated 1

AlphaFold DB (H9ETL9), UniProt , Accession A0A096NK81, Species PAPAN (Papio anubis, Olive baboon), Gene MTA1, Length 715 aa.

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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
1M45.3Very low82.1Confident238 Ų23871.2 Ų71.2100%1.17241%0.407SS*.  0151.10-65.4-179.2-178.300109A3M1-A3 PolarHBondContact O-N 3.12Å
2A50.3Low83.2Confident60 Ų6065.3 Ų65.350%0.49637%0.373SS..  trans-71.9116.717200000110.1N4 M5A2-N4 PolarHBondContact O-N 3.17Å; A2-M5 HydrophobicContact CB-CB 4.32Å; A2-M5 PolarHBondContact O-N 3.2Å
3A66.3Low84.2Confident87 Ų8760.5 Ų60.572%0.71935%0.346SS*.THydrogen-bonded Turntrans-60.6-20.1-172.300000114.7M1M1-A3 PolarHBondContact O-N 3.12Å
4N84.8Confident84.9Confident30 Ų3056.4 Ų56.416%0.1632%0.322CS..THydrogen-bonded Turntrans-104.712.1-173.7-76.2-12000114.3A2 Y6 Y355 I356 N358A2-N4 PolarHBondContact O-N 3.17Å; N4-Y6 WeakPolarHBondContact O-CD2 3.33Å; N4-Y6 WeakPolarHBondContact O-CE2 3.34Å; N4-Y355 HydrophobicContact CB-CD2 3.94Å; N4-Y355 HydrophobicContact CB-CE2 3.43Å; N4-Y355 VanDerWaalsContact CB-CE2 3.43Å; N4-Y355 WeakPolarHBondContact O-CA 3.49Å; N4-I356 VanDerWaalsContact CB-O 3.29Å; N4-I356 WeakPolarHBondContact CB-O 3.33Å; N4-I356 PolarHBondContact O-N 2.88Å; N4-N358 PolarHBondContact ND2-OD1 3.24Å; N4-N358 PolarHBondContact OD1-OD1 2.82Å
5M90.5Very high85.3Confident53 Ų5354.3 Ų54.326%0.26131%0.308SS..EExtended strand (participates in β ladder)trans-103.8118.5179.6-175.2178.763.300111.5A2 K125 Q353A2-M5 HydrophobicContact CB-CB 4.32Å; A2-M5 PolarHBondContact O-N 3.2Å; M5-K125 WeakPolarHBondContact O-CE 3.41Å; M5-K125 PolarHBondContact O-NZ 3.49Å; M5-Q353 PolarHBondContact SD-OE1 3.24Å; M5-Q353 VanDerWaalsContact SD-OE1 3.32Å
6Y93.5Very high85.3Confident8 Ų858.3 Ų58.33%0.03133%0.328CS..EExtended strand (participates in β ladder)trans-114.2148.3-175.7-57.6-90.5000110.7N4 D10 V12 I122 G124 K125 Q353 V354 I356N4-Y6 WeakPolarHBondContact O-CD2 3.33Å; N4-Y6 WeakPolarHBondContact O-CE2 3.34Å; Y6-D10 VanDerWaalsContact CA-OD2 3.31Å; Y6-D10 WeakPolarHBondContact CA-OD2 3.3Å; Y6-V12 HydrophobicContact CD1-CG1 3.55Å; Y6-V12 HydrophobicContact CE1-CG1 3.92Å; Y6-I122 HydrophobicContact CD1-CG2 3.78Å; Y6-I122 HydrophobicContact CD2-CG2 4.43Å; Y6-I122 HydrophobicContact CE1-CG2 3.37Å; Y6-I122 HydrophobicContact CE2-CG2 4.11Å; Y6-I122 HydrophobicContact CG-CG2 4.28Å; Y6-G124 WeakPolarHBondContact OH-CA 3.28Å; Y6-G124 PolarHBondContact OH-N 2.97Å; Y6-K125 HydrophobicContact CD1-CD 4.38Å; Y6-K125 HydrophobicContact CD1-CG 3.78Å; Y6-K125 HydrophobicContact CE1-CG 3.56Å; Y6-Q353 CarbonylContact O-C 3.58Å; Y6-Q353 WeakPolarHBondContact O-CA 3.43Å; Y6-Q353 WeakPolarHBondContact O-CB 3.46Å; Y6-V354 PolarHBondContact N-O 3.17Å; Y6-V354 PolarHBondContact O-N 2.74Å; Y6-I356 HydrophobicContact CD2-CB 4.24Å; Y6-I356 HydrophobicContact CD2-CD1 3.58Å; Y6-I356 HydrophobicContact CD2-CG1 3.89Å; Y6-I356 HydrophobicContact CE2-CB 4.02Å; Y6-I356 HydrophobicContact CE2-CD1 3.9Å; Y6-I356 HydrophobicContact CE2-CG1 4.17Å; Y6-I356 HydrophobicContact CG-CD1 4.28Å
7R94.1Very high85.3Confident121 Ų12157.4 Ų57.446%0.45733%0.327SS..EExtended strand (participates in β ladder)trans-134.3156.2-170.5-61.7-166160.1177.3-6.2110.8G9 D10 Q353R7-G9 PolarHBondContact O-N 3.07Å; R7-D10 PolarHBondContact N-OD2 2.93Å; R7-D10 WeakPolarHBondContact O-CB 3.19Å; R7-D10 PolarHBondContact O-N 2.84Å; R7-D10 VanDerWaalsContact O-N 3.11Å; R7-Q353 HydrophobicContact CG-CB 3.85Å; R7-Q353 VanDerWaalsContact CZ-OE1 3.3Å
8V93.1Very high85.1Confident67 Ų6756.3 Ų56.341%0.40632%0.324SS..THydrogen-bonded Turntrans-57.2135.3163.9175.80000108.8I27 E28 L30 K352V8-I27 HydrophobicContact CG2-CG2 4.35Å; V8-E28 VanDerWaalsContact CG1-O 3.25Å; V8-E28 WeakPolarHBondContact CG1-O 3.48Å; V8-L30 HydrophobicContact CG2-CD1 4.37Å; V8-L30 HydrophobicContact CG2-CG 4.23Å; V8-K352 PolarHBondContact N-O 3.15Å
9G93.5Very high85.1Confident41 Ų4156.4 Ų56.442%0.42333%0.328SS..THydrogen-bonded Turntrans92.3-18.3-171.900000115.4R7 I27R7-G9 PolarHBondContact O-N 3.07Å; G9-I27 PolarHBondContact N-O 2.87Å
10D95.3Very high85.3Confident33 Ų3357.9 Ų57.918%0.17633%0.334CS..  trans-65.6141.8177.7-79-38.7000111.8Y6 R7 V12 R26 I27 K125Y6-D10 VanDerWaalsContact CA-OD2 3.31Å; Y6-D10 WeakPolarHBondContact CA-OD2 3.3Å; R7-D10 PolarHBondContact N-OD2 2.93Å; R7-D10 WeakPolarHBondContact O-CB 3.19Å; R7-D10 PolarHBondContact O-N 2.84Å; R7-D10 VanDerWaalsContact O-N 3.11Å; D10-V12 HydrophobicContact CB-CG1 4.18Å; D10-R26 WeakPolarHBondContact O-CA 3.46Å; D10-I27 HydrophobicContact CB-CD1 4.38Å; D10-I27 PolarHBondContact O-N 3.34Å; D10-K125 IonicContact OD1-NZ 2.65Å; D10-K125 PolarHBondContact OD1-NZ 3.01Å; D10-K125 WeakPolarHBondContact OD2-CE 3.41Å; D10-K125 IonicContact OD2-NZ 2.73Å; D10-K125 PolarHBondContact OD2-NZ 2.85Å
11Y96.2Very high85.6Confident45 Ų4555.4 Ų55.418%0.17632%0.32CS..EExtended strand (participates in β ladder)trans-88.7135.1161.8-58.9-85.5000110.2R25 R26 F45 K125 C126 V128Y11-R25 CarbonylContact C-O 3.58Å; Y11-R25 WeakPolarHBondContact CA-O 3.42Å; Y11-R26 HydrophobicContact CD1-CB 3.74Å; Y11-R26 HydrophobicContact CD1-CG 3.89Å; Y11-R26 HydrophobicContact CE1-CB 3.74Å; Y11-R26 HydrophobicContact CE1-CG 3.72Å; Y11-R26 HydrophobicContact CG-CG 4.44Å; Y11-F45 HydrophobicContact CD1-CE2 4.01Å; Y11-F45 HydrophobicContact CD1-CZ 4.36Å; Y11-F45 AromaticContact CE1-CE2 3.77Å; Y11-F45 HydrophobicContact CE1-CE2 3.77Å; Y11-F45 AromaticContact CE1-CZ 3.75Å; Y11-F45 HydrophobicContact CE1-CZ 3.75Å; Y11-K125 WeakPolarHBondContact O-CA 3.29Å; Y11-C126 VanDerWaalsContact C-SG 3.6Å; Y11-C126 PolarHBondContact O-N 3.23Å; Y11-V128 HydrophobicContact CD1-CB 3.73Å; Y11-V128 HydrophobicContact CD1-CG2 3.53Å; Y11-V128 HydrophobicContact CD2-CB 4.41Å; Y11-V128 HydrophobicContact CE1-CB 3.79Å; Y11-V128 HydrophobicContact CE1-CG2 4.11Å; Y11-V128 HydrophobicContact CE2-CB 4.46Å; Y11-V128 VanDerWaalsContact CE2-O 3.3Å; Y11-V128 WeakPolarHBondContact CE2-O 3.41Å; Y11-V128 HydrophobicContact CG-CB 4.06Å; Y11-V128 HydrophobicContact CG-CG2 3.78Å; Y11-V128 PolarHBondContact OH-O 3.18Å
12V96.1Very high87.9Confident0 Ų046.3 Ų46.30%027%0.273CS..EExtended strand (participates in β ladder)trans-143.6148.8-167-75.60000113.9Y6 D10 F14 R25 I27 I122 G124 K125Y6-V12 HydrophobicContact CD1-CG1 3.55Å; Y6-V12 HydrophobicContact CE1-CG1 3.92Å; D10-V12 HydrophobicContact CB-CG1 4.18Å; V12-F14 HydrophobicContact CG2-CD2 3.84Å; V12-F14 HydrophobicContact CG2-CE2 3.53Å; V12-R25 WeakPolarHBondContact CG2-O 3.3Å; V12-R25 PolarHBondContact N-O 3.19Å; V12-R25 PolarHBondContact O-N 3.38Å; V12-I27 HydrophobicContact CG1-CD1 4.11Å; V12-I27 HydrophobicContact CG2-CD1 4.07Å; V12-I27 HydrophobicContact CG2-CG1 3.79Å; V12-I122 HydrophobicContact CB-CG1 4.47Å; V12-I122 HydrophobicContact CB-CG2 4.06Å; V12-I122 HydrophobicContact CG1-CG2 4.01Å; V12-I122 HydrophobicContact CG2-CD1 4.4Å; V12-I122 HydrophobicContact CG2-CG1 4.37Å; V12-G124 WeakPolarHBondContact CA-O 3.31Å; V12-K125 HydrophobicContact CG1-CG 4.39Å
13Y95.6Very high90.1Very high4 Ų445.7 Ų45.72%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-84.8115.5170.3-69.4-55.3000110.9Y22 I24 I122 R123 G124 C126 D145 F147 K426Y13-Y22 HydrophobicContact CD1-CD2 4.07Å; Y13-Y22 HydrophobicContact CD1-CG 4.42Å; Y13-Y22 HydrophobicContact CD2-CD2 4.43Å; Y13-Y22 AromaticContact CG-CD2 3.87Å; Y13-Y22 HydrophobicContact CG-CD2 3.87Å; Y13-Y22 HydrophobicContact CG-CG 4.36Å; Y13-I24 HydrophobicContact CD1-CG1 4.2Å; Y13-I24 HydrophobicContact CE1-CD1 4.39Å; Y13-I24 HydrophobicContact CE1-CG1 4.08Å; Y13-I122 CarbonylContact O-C 3.27Å; Y13-I122 WeakPolarHBondContact O-CA 3.48Å; Y13-R123 PolarHBondContact O-N 3.12Å; Y13-G124 PolarHBondContact N-O 3.49Å; Y13-C126 HydrophobicContact CD2-CB 4.46Å; Y13-C126 HydrophobicContact CE1-CB 4.24Å; Y13-C126 HydrophobicContact CE2-CB 3.96Å; Y13-D145 HydrophobicContact CE2-CB 4.23Å; Y13-D145 PolarHBondContact OH-OD1 3.12Å; Y13-D145 VanDerWaalsContact OH-OD1 3.07Å; Y13-F147 AromaticContact CE1-CE2 3.9Å; Y13-F147 HydrophobicContact CE1-CE2 3.9Å; Y13-F147 AromaticContact CE1-CZ 3.88Å; Y13-F147 HydrophobicContact CE1-CZ 3.88Å; Y13-F147 AromaticContact CZ-CE2 3.89Å; Y13-F147 VanDerWaalsContact OH-CE2 3.25Å; Y13-F147 WeakPolarHBondContact OH-CE2 3.25Å; Y13-F147 WeakPolarHBondContact OH-CZ 3.44Å; Y13-K426 HydrophobicContact CE1-CB 4.34Å; Y13-K426 HydrophobicContact CE2-CG 4Å
14F94.3Very high91.5Very high2 Ų241.6 Ų41.61%0.00923%0.227CC..EExtended strand (participates in β ladder)trans-98.4132.5173.2-92.6-99.8000112.1V12 Y22 L23 R25 A40 V42 L117 H121 I122V12-F14 HydrophobicContact CG2-CD2 3.84Å; V12-F14 HydrophobicContact CG2-CE2 3.53Å; F14-Y22 CarbonylContact O-C 3.58Å; F14-Y22 WeakPolarHBondContact O-CA 3.33Å; F14-L23 HydrophobicContact CB-CB 4.31Å; F14-L23 PolarHBondContact N-O 3.44Å; F14-L23 PolarHBondContact O-N 2.85Å; F14-R25 HydrophobicContact CD2-CB 3.88Å; F14-R25 HydrophobicContact CD2-CG 3.98Å; F14-R25 HydrophobicContact CE2-CB 4.13Å; F14-R25 HydrophobicContact CG-CG 4.48Å; F14-A40 HydrophobicContact CZ-CB 4.1Å; F14-V42 HydrophobicContact CE2-CG1 3.77Å; F14-V42 HydrophobicContact CZ-CG1 3.82Å; F14-V42 HydrophobicContact CZ-CG2 4.47Å; F14-L117 HydrophobicContact CD1-CB 4.33Å; F14-L117 HydrophobicContact CD1-CD1 3.84Å; F14-L117 HydrophobicContact CE1-CB 3.76Å; F14-L117 HydrophobicContact CE1-CD1 4.01Å; F14-H121 HydrophobicContact CD1-CB 3.6Å; F14-H121 HydrophobicContact CE1-CB 3.97Å; F14-I122 HydrophobicContact CD1-CG1 4.45Å; F14-I122 HydrophobicContact CD2-CG1 4.03Å; F14-I122 HydrophobicContact CE1-CG1 3.98Å; F14-I122 HydrophobicContact CE2-CD1 4.04Å; F14-I122 HydrophobicContact CE2-CG1 3.54Å; F14-I122 HydrophobicContact CG-CG1 4.47Å; F14-I122 HydrophobicContact CZ-CD1 3.89Å; F14-I122 HydrophobicContact CZ-CG1 3.5Å; F14-I122 VanDerWaalsContact CZ-CG1 3.5Å
15E91.1Very high92Very high25 Ų2540.9 Ų40.912%0.11722%0.222CC..  trans-101.2109.5171.3-176.6166.4-112.200111.5Y22 H121 R123 K425E15-Y22 HydrophobicContact CB-CD1 3.92Å; E15-Y22 HydrophobicContact CB-CE1 4.03Å; E15-Y22 HydrophobicContact CG-CD1 4.41Å; E15-Y22 HydrophobicContact CG-CE1 4.33Å; E15-H121 PolarHBondContact N-O 2.66Å; E15-R123 HydrophobicContact CB-CG 3.74Å; E15-R123 IonicContact OE2-CZ 3.65Å; E15-R123 VanDerWaalsContact OE2-CZ 3.26Å; E15-R123 IonicContact OE2-NE 3.82Å; E15-R123 PolarHBondContact OE2-NE 2.9Å; E15-R123 IonicContact OE2-NH2 2.76Å; E15-R123 PolarHBondContact OE2-NH2 2.96Å; E15-K425 IonicContact OE1-NZ 3.28Å; E15-K425 PolarHBondContact OE1-NZ 2.77Å
16N85.4Confident92.3Very high118 Ų11841.7 Ų41.763%0.63122%0.222SC*.SBendtrans-87.1-28.5170.3-16734.9000112.2
17S85.5Confident92.4Very high44 Ų4441.3 Ų41.331%0.30822%0.221SC..  trans-156151.8167.668.50000111.6S19 N20 K425S17-S19 VanDerWaalsContact C-N 3.31Å; S17-S19 PolarHBondContact O-N 3.36Å; S17-N20 PolarHBondContact O-N 3.44Å; S17-N20 WeakPolarHBondContact OG-CB 3.49Å; S17-N20 PolarHBondContact OG-ND2 3.34Å; S17-K425 PolarHBondContact O-NZ 2.72Å
18S81.5Confident92.5Very high38 Ų3838.7 Ų38.727%0.26621%0.214SC..THydrogen-bonded Turntrans-59.5-38.9-179.550.30000113.1N20 P364 K425S18-N20 VanDerWaalsContact C-N 3.32Å; S18-N20 PolarHBondContact O-N 3.12Å; S18-P364 VanDerWaalsContact OG-CG 3.31Å; S18-P364 WeakPolarHBondContact OG-CG 3.46Å; S18-K425 PolarHBondContact O-NZ 2.78Å
19S84.1Confident92.5Very high58 Ų5837.3 Ų37.341%0.40620%0.203SC..THydrogen-bonded Turntrans-85.69.2179.3-52.80000114.7S17 N365 W424S17-S19 VanDerWaalsContact C-N 3.31Å; S17-S19 PolarHBondContact O-N 3.36Å; S19-N365 PolarHBondContact OG-ND2 3.15Å; S19-N365 PolarHBondContact OG-OD1 2.95Å; S19-W424 WeakPolarHBondContact O-CH2 3.49Å
20N89.1Confident92.5Very high86 Ų8635.4 Ų35.446%0.4618%0.183SC..SBendtrans-115.8149.9167.9-80.8-39000111S17 S18 K425S17-N20 PolarHBondContact O-N 3.44Å; S17-N20 WeakPolarHBondContact OG-CB 3.49Å; S17-N20 PolarHBondContact OG-ND2 3.34Å; S18-N20 VanDerWaalsContact C-N 3.32Å; S18-N20 PolarHBondContact O-N 3.12Å; N20-K425 WeakPolarHBondContact O-CE 3.15Å; N20-K425 PolarHBondContact O-NZ 3.33Å
21P91.7Very high92.3Very high6 Ų636.2 Ų36.24%0.03919%0.188CC..PPolyproline II helixtrans-60.8151.8165.9-30.342.7000112.5W424 K425P21-W424 WeakPolarHBondContact CB-O 3.34Å; P21-W424 VanDerWaalsContact CD-CZ2 3.47Å; P21-W424 HydrophobicContact CG-CD2 3.84Å; P21-W424 VanDerWaalsContact CG-CE2 3.42Å; P21-W424 HydrophobicContact CG-CE3 4.24Å; P21-W424 HydrophobicContact CG-CG 4.44Å; P21-W424 HydrophobicContact CG-CH2 3.97Å; P21-W424 HydrophobicContact CG-CZ2 3.53Å; P21-W424 HydrophobicContact CG-CZ3 4.28Å; P21-W424 WeakPolarHBondContact CG-O 3.45Å; P21-K425 WeakPolarHBondContact CA-O 3.49Å
22Y94.6Very high92Very high47 Ų4740.9 Ų40.918%0.18421%0.209CC..PPolyproline II helixtrans-60.1147.2179.8-54.6-44.9000111.1Y13 F14 E15 R47 R123 K425Y13-Y22 HydrophobicContact CD1-CD2 4.07Å; Y13-Y22 HydrophobicContact CD1-CG 4.42Å; Y13-Y22 HydrophobicContact CD2-CD2 4.43Å; Y13-Y22 AromaticContact CG-CD2 3.87Å; Y13-Y22 HydrophobicContact CG-CD2 3.87Å; Y13-Y22 HydrophobicContact CG-CG 4.36Å; F14-Y22 CarbonylContact O-C 3.58Å; F14-Y22 WeakPolarHBondContact O-CA 3.33Å; E15-Y22 HydrophobicContact CB-CD1 3.92Å; E15-Y22 HydrophobicContact CB-CE1 4.03Å; E15-Y22 HydrophobicContact CG-CD1 4.41Å; E15-Y22 HydrophobicContact CG-CE1 4.33Å; Y22-R47 PolarHBondContact O-NH1 3.37Å; Y22-R47 PolarHBondContact O-NH2 3.28Å; Y22-R123 HydrophobicContact CD1-CB 4.48Å; Y22-R123 HydrophobicContact CD1-CG 4.33Å; Y22-R123 HydrophobicContact CE1-CB 4Å; Y22-R123 HydrophobicContact CE1-CG 3.77Å; Y22-R123 HydrophobicContact CE2-CB 4.48Å; Y22-K425 HydrophobicContact CD2-CB 4.23Å; Y22-K425 WeakPolarHBondContact CD2-O 3.46Å; Y22-K425 HydrophobicContact CE2-CB 3.9Å; Y22-K425 PolarHBondContact N-O 2.96Å
23L95.1Very high91.6Very high46 Ų4643.1 Ų43.124%0.24122%0.223CC..EExtended strand (participates in β ladder)trans-86.9141.7167.8-55.1-179.8000108.5F14F14-L23 HydrophobicContact CB-CB 4.31Å; F14-L23 PolarHBondContact N-O 3.44Å; F14-L23 PolarHBondContact O-N 2.85Å
24I96Very high91.1Very high2 Ų248.1 Ų48.11%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-93.4133.8174.7-63.476.6000107.6Y13 F45 R47 L108 V128 F147Y13-I24 HydrophobicContact CD1-CG1 4.2Å; Y13-I24 HydrophobicContact CE1-CD1 4.39Å; Y13-I24 HydrophobicContact CE1-CG1 4.08Å; I24-F45 HydrophobicContact CB-CB 4.13Å; I24-F45 HydrophobicContact CG2-CB 4.17Å; I24-F45 HydrophobicContact CG2-CD2 4.41Å; I24-F45 HydrophobicContact CG2-CG 4.41Å; I24-F45 WeakPolarHBondContact O-CB 3.47Å; I24-F45 PolarHBondContact O-N 3.49Å; I24-R47 VanDerWaalsContact CD1-NH2 3.34Å; I24-L108 HydrophobicContact CB-CD1 3.82Å; I24-L108 HydrophobicContact CD1-CD2 4.11Å; I24-L108 HydrophobicContact CG1-CD1 3.98Å; I24-L108 HydrophobicContact CG1-CD2 4.43Å; I24-L108 HydrophobicContact CG2-CD1 3.62Å; I24-V128 HydrophobicContact CG2-CG2 3.77Å; I24-F147 HydrophobicContact CD1-CE1 4.29Å; I24-F147 HydrophobicContact CD1-CZ 4.31Å; I24-F147 HydrophobicContact CG1-CE1 4.39Å; I24-F147 HydrophobicContact CG1-CE2 4.32Å; I24-F147 HydrophobicContact CG1-CZ 4.19Å
25R96.4Very high90.8Very high14 Ų1455 Ų555%0.05330%0.302CS..EExtended strand (participates in β ladder)trans-146.9155.1-177.6-59.6-169.2177.6-128.2-0.1111.4Y11 V12 F14 V42 V43 C44 E115Y11-R25 CarbonylContact C-O 3.58Å; Y11-R25 WeakPolarHBondContact CA-O 3.42Å; V12-R25 WeakPolarHBondContact CG2-O 3.3Å; V12-R25 PolarHBondContact N-O 3.19Å; V12-R25 PolarHBondContact O-N 3.38Å; F14-R25 HydrophobicContact CD2-CB 3.88Å; F14-R25 HydrophobicContact CD2-CG 3.98Å; F14-R25 HydrophobicContact CE2-CB 4.13Å; F14-R25 HydrophobicContact CG-CG 4.48Å; R25-V42 HydrophobicContact CB-CB 4.1Å; R25-V42 HydrophobicContact CB-CG1 4.37Å; R25-V43 WeakPolarHBondContact CA-O 3.45Å; R25-V43 WeakPolarHBondContact CB-O 3.41Å; R25-C44 PolarHBondContact NH1-SG 3.27Å; R25-E115 IonicContact CZ-OE2 2.7Å; R25-E115 IonicContact NH1-OE2 3.87Å; R25-E115 PolarHBondContact NH1-OE2 2.9Å; R25-E115 IonicContact NH2-OE2 3.77Å; R25-E115 PolarHBondContact NH2-OE2 2.84Å
26R96.3Very high90.5Very high70 Ų7055.5 Ų55.526%0.26431%0.314SS..EExtended strand (participates in β ladder)trans-106.3139168.1-165.4178.770.8-169.46.1109.8D10 Y11 E28 V42 V43 F45D10-R26 WeakPolarHBondContact O-CA 3.46Å; Y11-R26 HydrophobicContact CD1-CB 3.74Å; Y11-R26 HydrophobicContact CD1-CG 3.89Å; Y11-R26 HydrophobicContact CE1-CB 3.74Å; Y11-R26 HydrophobicContact CE1-CG 3.72Å; Y11-R26 HydrophobicContact CG-CG 4.44Å; R26-E28 IonicContact CZ-OE1 3.08Å; R26-E28 VanDerWaalsContact CZ-OE1 3.23Å; R26-E28 IonicContact CZ-OE2 3.49Å; R26-E28 IonicContact NE-OE1 2.68Å; R26-E28 PolarHBondContact NE-OE1 2.99Å; R26-E28 IonicContact NE-OE2 3.45Å; R26-E28 VanDerWaalsContact NH2-CD 3.33Å; R26-E28 IonicContact NH2-OE1 3.49Å; R26-E28 PolarHBondContact NH2-OE1 2.82Å; R26-E28 IonicContact NH2-OE2 3.52Å; R26-E28 PolarHBondContact NH2-OE2 3.12Å; R26-V42 CarbonylContact O-C 3.55Å; R26-V42 WeakPolarHBondContact O-CA 3.41Å; R26-V43 HydrophobicContact CB-CB 4.36Å; R26-V43 PolarHBondContact N-O 3.19Å; R26-V43 VanDerWaalsContact N-O 3.1Å; R26-V43 PolarHBondContact O-N 3.28Å; R26-F45 HydrophobicContact CB-CE2 4.16Å
27I96.3Very high90.7Very high0 Ų055.1 Ų55.10%031%0.312CS..EExtended strand (participates in β ladder)trans-83.3115.2177.7-56.1178.9000109.5V8 G9 D10 V12 L30 V42 I122V8-I27 HydrophobicContact CG2-CG2 4.35Å; G9-I27 PolarHBondContact N-O 2.87Å; D10-I27 HydrophobicContact CB-CD1 4.38Å; D10-I27 PolarHBondContact O-N 3.34Å; V12-I27 HydrophobicContact CG1-CD1 4.11Å; V12-I27 HydrophobicContact CG2-CD1 4.07Å; V12-I27 HydrophobicContact CG2-CG1 3.79Å; I27-L30 HydrophobicContact CG2-CD2 3.77Å; I27-L30 HydrophobicContact CG2-CG 3.83Å; I27-V42 HydrophobicContact CG1-CG1 4.29Å; I27-I122 HydrophobicContact CD1-CD1 3.97Å
28E95Very high91.1Very high66 Ų6654.5 Ų54.531%0.30831%0.306SS..EExtended strand (participates in β ladder)trans-92.7-33.5174.7-55-56.9121.200112.3V8 R26 K41 V43 L114V8-E28 VanDerWaalsContact CG1-O 3.25Å; V8-E28 WeakPolarHBondContact CG1-O 3.48Å; R26-E28 IonicContact CZ-OE1 3.08Å; R26-E28 VanDerWaalsContact CZ-OE1 3.23Å; R26-E28 IonicContact CZ-OE2 3.49Å; R26-E28 IonicContact NE-OE1 2.68Å; R26-E28 PolarHBondContact NE-OE1 2.99Å; R26-E28 IonicContact NE-OE2 3.45Å; R26-E28 VanDerWaalsContact NH2-CD 3.33Å; R26-E28 IonicContact NH2-OE1 3.49Å; R26-E28 PolarHBondContact NH2-OE1 2.82Å; R26-E28 IonicContact NH2-OE2 3.52Å; R26-E28 PolarHBondContact NH2-OE2 3.12Å; E28-K41 PolarHBondContact N-O 3.39Å; E28-V43 HydrophobicContact CG-CB 4.35Å; E28-V43 HydrophobicContact CG-CG2 3.66Å; E28-V43 WeakPolarHBondContact OE1-CG2 3.38Å; E28-L114 HydrophobicContact CG-CD2 3.79Å
29E93.4Very high91.7Very high39 Ų3956.1 Ų56.118%0.18231%0.309CS..EExtended strand (participates in β ladder)trans-153.9142.8-175.9-163.6177.4-144.100109.5N31 K41 K350E29-N31 PolarHBondContact OE2-ND2 3.49Å; E29-K41 HydrophobicContact CB-CB 3.89Å; E29-K41 HydrophobicContact CB-CD 4.08Å; E29-K41 PolarHBondContact N-O 2.87Å; E29-K41 PolarHBondContact O-N 2.8Å; E29-K41 WeakPolarHBondContact OE2-CD 3.36Å; E29-K41 IonicContact OE2-NZ 3.27Å; E29-K41 PolarHBondContact OE2-NZ 2.91Å; E29-K350 IonicContact OE1-NZ 2.68Å; E29-K350 PolarHBondContact OE1-NZ 3.04Å
30L93.7Very high92.2Very high1 Ų153.4 Ų53.41%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-114.6119.7169-62.7166.1000108.1V8 I27 V38 E39 A40 L351 V354V8-L30 HydrophobicContact CG2-CD1 4.37Å; V8-L30 HydrophobicContact CG2-CG 4.23Å; I27-L30 HydrophobicContact CG2-CD2 3.77Å; I27-L30 HydrophobicContact CG2-CG 3.83Å; L30-V38 HydrophobicContact CB-CG1 4.38Å; L30-V38 HydrophobicContact CD2-CG1 4.46Å; L30-E39 WeakPolarHBondContact CA-O 3.18Å; L30-A40 HydrophobicContact CD2-CB 3.72Å; L30-L351 HydrophobicContact CB-CB 3.77Å; L30-L351 WeakPolarHBondContact CB-O 3.35Å; L30-L351 PolarHBondContact O-N 3.33Å; L30-V354 HydrophobicContact CD1-CB 4.13Å; L30-V354 HydrophobicContact CD1-CG1 3.85Å; L30-V354 HydrophobicContact CD2-CG1 4Å
31N90.9Very high92.5Very high50 Ų5053 Ų5327%0.26729%0.285SS..EExtended strand (participates in β ladder)trans-113.6127.9-174.8-71.2-50.6000109.7E29 V38 E39E29-N31 PolarHBondContact OE2-ND2 3.49Å; N31-V38 WeakPolarHBondContact O-CA 3.42Å; N31-E39 PolarHBondContact N-O 3.36Å; N31-E39 PolarHBondContact O-N 2.72Å
32K89.9Confident92.7Very high142 Ų14252.8 Ų52.862%0.61728%0.283SS*.EExtended strand (participates in β ladder)trans-94.2116.6174.3-166178.2176.7-176.40109.2L351K32-L351 HydrophobicContact CB-CD1 3.86Å; K32-L351 HydrophobicContact CB-CG 4.42Å; K32-L351 HydrophobicContact CG-CD1 4.49Å
33T87.1Confident92.8Very high48 Ų4851.1 Ų51.129%0.29428%0.278SS..  trans-67.4157.8172.263.20000111N35 G36 N37 E39T33-N35 PolarHBondContact O-N 2.95Å; T33-N35 VanDerWaalsContact O-N 3.15Å; T33-G36 PolarHBondContact O-N 2.81Å; T33-N37 PolarHBondContact N-O 3.33Å; T33-N37 WeakPolarHBondContact OG1-CB 3.23Å; T33-N37 PolarHBondContact OG1-N 2.94Å; T33-N37 PolarHBondContact OG1-O 2.72Å; T33-E39 HydrophobicContact CG2-CG 4.47Å
34A86.2Confident92.8Very high109 Ų10949.2 Ų49.290%0.90127%0.268SS*.THydrogen-bonded Turntrans-54.9-33.1176.300000112.8G36A34-G36 PolarHBondContact O-N 2.63Å; A34-G36 VanDerWaalsContact O-N 3.15Å
35N87.7Confident92.8Very high146 Ų14649.6 Ų49.678%0.78127%0.269SS*.THydrogen-bonded Turntrans-767177.5-60.77.3000113.4T33 N37T33-N35 PolarHBondContact O-N 2.95Å; T33-N35 VanDerWaalsContact O-N 3.15Å; N35-N37 VanDerWaalsContact C-N 3.28Å; N35-N37 PolarHBondContact O-N 3.44Å
36G85.1Confident92.6Very high36 Ų3651 Ų5137%0.37128%0.275SS..SBendtrans84.2-15.6178.200000115.7T33 A34T33-G36 PolarHBondContact O-N 2.81Å; A34-G36 PolarHBondContact O-N 2.63Å; A34-G36 VanDerWaalsContact O-N 3.15Å
37N89.8Confident92.5Very high110 Ų11048.2 Ų48.259%0.58826%0.264SS*.PPolyproline II helixtrans-64.4141.4176.9-62.1-46.1000111T33 N35T33-N37 PolarHBondContact N-O 3.33Å; T33-N37 WeakPolarHBondContact OG1-CB 3.23Å; T33-N37 PolarHBondContact OG1-N 2.94Å; T33-N37 PolarHBondContact OG1-O 2.72Å; N35-N37 VanDerWaalsContact C-N 3.28Å; N35-N37 PolarHBondContact O-N 3.44Å
38V93.3Very high92.2Very high31 Ų3149.7 Ų49.719%0.18827%0.27CS..EExtended strand (participates in β ladder)trans-101.8126176-175.60000110.3L30 N31 A119 L351 V354L30-V38 HydrophobicContact CB-CG1 4.38Å; L30-V38 HydrophobicContact CD2-CG1 4.46Å; N31-V38 WeakPolarHBondContact O-CA 3.42Å; V38-A119 HydrophobicContact CB-CB 4.24Å; V38-A119 HydrophobicContact CG1-CB 4.09Å; V38-A119 WeakPolarHBondContact O-CB 3.41Å; V38-A119 PolarHBondContact O-N 3.49Å; V38-L351 HydrophobicContact CB-CD1 4.39Å; V38-L351 HydrophobicContact CG1-CD1 3.79Å; V38-L351 HydrophobicContact CG2-CD1 3.65Å; V38-V354 HydrophobicContact CB-CG2 4.21Å; V38-V354 HydrophobicContact CG1-CB 4.39Å; V38-V354 HydrophobicContact CG1-CG2 4.05Å; V38-V354 HydrophobicContact CG2-CG2 4.18Å
39E94.1Very high91.8Very high72 Ų7252 Ų5234%0.33628%0.276SS..EExtended strand (participates in β ladder)trans-102.3149.6166.9-67.7-172.8-162.600110.4L30 N31 T33 S116 L117L30-E39 WeakPolarHBondContact CA-O 3.18Å; N31-E39 PolarHBondContact N-O 3.36Å; N31-E39 PolarHBondContact O-N 2.72Å; T33-E39 HydrophobicContact CG2-CG 4.47Å; E39-S116 PolarHBondContact OE2-OG 3.16Å; E39-L117 WeakPolarHBondContact CA-O 3.38Å
40A95Very high91.6Very high0 Ų052.9 Ų52.90%028%0.282CS..EExtended strand (participates in β ladder)trans-112.6121.1172.500000108.9F14 L30 V42 L117F14-A40 HydrophobicContact CZ-CB 4.1Å; L30-A40 HydrophobicContact CD2-CB 3.72Å; A40-V42 HydrophobicContact CB-CG1 4.01Å; A40-L117 PolarHBondContact N-O 3.29Å; A40-L117 PolarHBondContact O-N 2.92Å
41K95.6Very high91.4Very high79 Ų7953.6 Ų53.634%0.34329%0.286SS..EExtended strand (participates in β ladder)trans-85.7124.9169.2-170.5-178.9177.5179.50107.9E28 E29 E115E28-K41 PolarHBondContact N-O 3.39Å; E29-K41 HydrophobicContact CB-CB 3.89Å; E29-K41 HydrophobicContact CB-CD 4.08Å; E29-K41 PolarHBondContact N-O 2.87Å; E29-K41 PolarHBondContact O-N 2.8Å; E29-K41 WeakPolarHBondContact OE2-CD 3.36Å; E29-K41 IonicContact OE2-NZ 3.27Å; E29-K41 PolarHBondContact OE2-NZ 2.91Å; K41-E115 CarbonylContact C-O 3.47Å; K41-E115 WeakPolarHBondContact CA-O 3.34Å
42V96.1Very high91.3Very high0 Ų053.8 Ų53.80%029%0.291CS..EExtended strand (participates in β ladder)trans-139.4135.7-159-77.90000112.8F14 R25 R26 I27 A40 L114 E115F14-V42 HydrophobicContact CE2-CG1 3.77Å; F14-V42 HydrophobicContact CZ-CG1 3.82Å; F14-V42 HydrophobicContact CZ-CG2 4.47Å; R25-V42 HydrophobicContact CB-CB 4.1Å; R25-V42 HydrophobicContact CB-CG1 4.37Å; R26-V42 CarbonylContact O-C 3.55Å; R26-V42 WeakPolarHBondContact O-CA 3.41Å; I27-V42 HydrophobicContact CG1-CG1 4.29Å; A40-V42 HydrophobicContact CB-CG1 4.01Å; V42-L114 WeakPolarHBondContact O-CA 3.33Å; V42-E115 WeakPolarHBondContact CG2-O 3.36Å; V42-E115 PolarHBondContact N-O 3.19Å; V42-E115 PolarHBondContact O-N 2.96Å
43V95.7Very high91.1Very high13 Ų1351.7 Ų51.78%0.07929%0.294CS..EExtended strand (participates in β ladder)trans-78133.5168.8155.70000109.6R25 R26 E28 F45 L110 L114R25-V43 WeakPolarHBondContact CA-O 3.45Å; R25-V43 WeakPolarHBondContact CB-O 3.41Å; R26-V43 HydrophobicContact CB-CB 4.36Å; R26-V43 PolarHBondContact N-O 3.19Å; R26-V43 VanDerWaalsContact N-O 3.1Å; R26-V43 PolarHBondContact O-N 3.28Å; E28-V43 HydrophobicContact CG-CB 4.35Å; E28-V43 HydrophobicContact CG-CG2 3.66Å; E28-V43 WeakPolarHBondContact OE1-CG2 3.38Å; V43-F45 HydrophobicContact CG1-CD2 4.5Å; V43-F45 HydrophobicContact CG1-CE2 4.03Å; V43-L110 HydrophobicContact CG1-CD1 3.54Å; V43-L114 HydrophobicContact CG2-CD2 3.71Å
44C95.1Very high91.1Very high5 Ų554.8 Ų54.83%0.03431%0.313CS..EExtended strand (participates in β ladder)trans-87.1131.6-177.2-670000112.8R25 Y46 S111 Q113 E115R25-C44 PolarHBondContact NH1-SG 3.27Å; C44-Y46 HydrophobicContact CB-CD2 4.36Å; C44-Y46 HydrophobicContact CB-CE2 3.72Å; C44-S111 WeakPolarHBondContact O-CB 3.4Å; C44-S111 PolarHBondContact O-N 2.71Å; C44-Q113 PolarHBondContact N-O 3.2Å; C44-E115 VanDerWaalsContact SG-CD 3.6Å
45F95.3Very high91.1Very high10 Ų1050.5 Ų50.54%0.04428%0.275CS..EExtended strand (participates in β ladder)trans-108.4129.8162.9-71.7-97.4000110.5Y11 I24 R26 V43 L108 F109 L110 V128 Y149Y11-F45 HydrophobicContact CD1-CE2 4.01Å; Y11-F45 HydrophobicContact CD1-CZ 4.36Å; Y11-F45 AromaticContact CE1-CE2 3.77Å; Y11-F45 HydrophobicContact CE1-CE2 3.77Å; Y11-F45 AromaticContact CE1-CZ 3.75Å; Y11-F45 HydrophobicContact CE1-CZ 3.75Å; I24-F45 HydrophobicContact CB-CB 4.13Å; I24-F45 HydrophobicContact CG2-CB 4.17Å; I24-F45 HydrophobicContact CG2-CD2 4.41Å; I24-F45 HydrophobicContact CG2-CG 4.41Å; I24-F45 WeakPolarHBondContact O-CB 3.47Å; I24-F45 PolarHBondContact O-N 3.49Å; R26-F45 HydrophobicContact CB-CE2 4.16Å; V43-F45 HydrophobicContact CG1-CD2 4.5Å; V43-F45 HydrophobicContact CG1-CE2 4.03Å; F45-L108 HydrophobicContact CB-CB 4.23Å; F45-L108 HydrophobicContact CB-CD1 4.03Å; F45-L108 HydrophobicContact CD1-CB 3.96Å; F45-L108 HydrophobicContact CD1-CD1 4.26Å; F45-L108 HydrophobicContact CG-CD1 4.31Å; F45-F109 WeakPolarHBondContact CA-O 3.44Å; F45-L110 HydrophobicContact CD1-CB 4.39Å; F45-L110 HydrophobicContact CE1-CB 3.91Å; F45-L110 HydrophobicContact CE1-CD1 3.93Å; F45-L110 HydrophobicContact CE2-CD1 4.19Å; F45-L110 HydrophobicContact CZ-CD1 3.67Å; F45-V128 HydrophobicContact CD1-CG1 4.26Å; F45-V128 HydrophobicContact CE1-CG1 3.89Å; F45-V128 HydrophobicContact CZ-CG1 4.35Å; F45-Y149 AromaticContact CE1-CD1 3.92Å; F45-Y149 HydrophobicContact CE1-CD1 3.92Å; F45-Y149 HydrophobicContact CE1-CE1 4.37Å; F45-Y149 HydrophobicContact CE1-CG 4.17Å
46Y94.1Very high91.2Very high44 Ų4444.6 Ų44.617%0.17324%0.243CC..EExtended strand (participates in β ladder)trans-99.6142.9179.4-70.5-104.5000109.8C44 D50 L108 F109 S111 Y153C44-Y46 HydrophobicContact CB-CD2 4.36Å; C44-Y46 HydrophobicContact CB-CE2 3.72Å; Y46-D50 HydrophobicContact CD1-CB 4.02Å; Y46-L108 WeakPolarHBondContact O-CA 3.32Å; Y46-F109 PolarHBondContact N-O 3.48Å; Y46-F109 PolarHBondContact O-N 3.42Å; Y46-S111 VanDerWaalsContact CE2-CB 3.5Å; Y46-Y153 HydrophobicContact CD1-CD1 4.17Å; Y46-Y153 AromaticContact CD1-CE1 3.89Å; Y46-Y153 HydrophobicContact CD1-CE1 3.89Å; Y46-Y153 AromaticContact CD2-CD1 3.86Å; Y46-Y153 HydrophobicContact CD2-CD1 3.86Å; Y46-Y153 HydrophobicContact CD2-CE1 4.33Å; Y46-Y153 HydrophobicContact CE1-CE1 4.11Å; Y46-Y153 HydrophobicContact CE2-CD1 4.3Å; Y46-Y153 AromaticContact CG-CD1 3.81Å; Y46-Y153 HydrophobicContact CG-CD1 3.81Å; Y46-Y153 HydrophobicContact CG-CE1 4.02Å
47R92.8Very high91.2Very high11 Ų1145.6 Ų45.64%0.04225%0.248CC..EExtended strand (participates in β ladder)trans-87163.7167.8-62-173.5179.184.6-5.5110.6Y22 I24 R49 D50 L108 K426 Y427Y22-R47 PolarHBondContact O-NH1 3.37Å; Y22-R47 PolarHBondContact O-NH2 3.28Å; I24-R47 VanDerWaalsContact CD1-NH2 3.34Å; R47-R49 HydrophobicContact CB-CG 4.36Å; R47-R49 PolarHBondContact O-N 2.82Å; R47-D50 VanDerWaalsContact CB-OD2 3.3Å; R47-D50 WeakPolarHBondContact CB-OD2 3.49Å; R47-D50 PolarHBondContact N-OD2 2.88Å; R47-D50 WeakPolarHBondContact O-CB 3.4Å; R47-D50 PolarHBondContact O-N 3.08Å; R47-L108 HydrophobicContact CG-CD2 3.83Å; R47-K426 PolarHBondContact NH2-O 2.98Å; R47-Y427 WeakPolarHBondContact CD-O 3.29Å; R47-Y427 PolarHBondContact NE-O 3.38Å
48R90.5Very high90.8Very high32 Ų3244.5 Ų44.512%0.12124%0.242CC..G310 helixtrans-44.2-39.4171.6-71.7-175.9159.1-116.61.2115D50 I56 D60 R104 E107 F109R48-D50 VanDerWaalsContact C-N 3.33Å; R48-D50 PolarHBondContact O-N 3.35Å; R48-I56 HydrophobicContact CB-CD1 3.92Å; R48-I56 HydrophobicContact CG-CD1 4.09Å; R48-I56 VanDerWaalsContact O-CD1 3.3Å; R48-I56 WeakPolarHBondContact O-CD1 3.49Å; R48-I56 WeakPolarHBondContact O-CG1 3.47Å; R48-D60 IonicContact CZ-OD1 2.69Å; R48-D60 IonicContact NH1-OD1 2.71Å; R48-D60 PolarHBondContact NH1-OD1 3.48Å; R48-D60 IonicContact NH1-OD2 3.24Å; R48-D60 PolarHBondContact NH1-OD2 2.99Å; R48-D60 IonicContact NH2-OD1 3.19Å; R48-D60 PolarHBondContact NH2-OD1 3.18Å; R48-R104 WeakPolarHBondContact CD-O 3.42Å; R48-E107 IonicContact CZ-OE1 3.26Å; R48-E107 IonicContact CZ-OE2 2.72Å; R48-E107 VanDerWaalsContact NE-CD 3.35Å; R48-E107 IonicContact NE-OE1 2.63Å; R48-E107 IonicContact NE-OE2 2.8Å; R48-E107 PolarHBondContact NE-OE2 3.1Å; R48-E107 IonicContact NH2-OE1 2.84Å; R48-E107 PolarHBondContact NH2-OE1 3.04Å; R48-E107 IonicContact NH2-OE2 2.72Å; R48-E107 PolarHBondContact NH2-OE2 3.45Å; R48-F109 HydrophobicContact CG-CE2 3.82Å; R48-F109 HydrophobicContact CG-CZ 4.38Å
49R86.9Confident90.4Very high114 Ų11443.1 Ų43.143%0.4323%0.233SC..G310 helixtrans-73.6-20.6-179.581.3-170.7-173.5177.84.5114.3R47 I51 G428R47-R49 HydrophobicContact CB-CG 4.36Å; R47-R49 PolarHBondContact O-N 2.82Å; R49-I51 VanDerWaalsContact C-N 3.25Å; R49-G428 PolarHBondContact NH1-O 2.83Å
50D88.3Confident89.8Confident58 Ų5841.8 Ų41.831%0.3123%0.229SC..G310 helixtrans-914.2-174-48.6-46.7000110.7Y46 R47 R48Y46-D50 HydrophobicContact CD1-CB 4.02Å; R47-D50 VanDerWaalsContact CB-OD2 3.3Å; R47-D50 WeakPolarHBondContact CB-OD2 3.49Å; R47-D50 PolarHBondContact N-OD2 2.88Å; R47-D50 WeakPolarHBondContact O-CB 3.4Å; R47-D50 PolarHBondContact O-N 3.08Å; R48-D50 VanDerWaalsContact C-N 3.33Å; R48-D50 PolarHBondContact O-N 3.35Å
51I89.4Confident89.1Confident15 Ų1548.1 Ų48.18%0.07726%0.256CS..SBendtrans-124.8158.2-176.2-62.8179.6000108.7R49 L55 I56 F109 Y153R49-I51 VanDerWaalsContact C-N 3.25Å; I51-L55 HydrophobicContact CG2-CB 3.65Å; I51-L55 HydrophobicContact CG2-CD1 3.81Å; I51-L55 HydrophobicContact CG2-CG 4.41Å; I51-I56 HydrophobicContact CB-CD1 4.09Å; I51-I56 HydrophobicContact CG2-CD1 4.04Å; I51-I56 HydrophobicContact CG2-CG1 4.48Å; I51-F109 HydrophobicContact CD1-CB 3.72Å; I51-F109 HydrophobicContact CD1-CD1 3.97Å; I51-F109 HydrophobicContact CD1-CD2 3.41Å; I51-F109 VanDerWaalsContact CD1-CD2 3.41Å; I51-F109 HydrophobicContact CD1-CE1 4.47Å; I51-F109 HydrophobicContact CD1-CE2 4.01Å; I51-F109 HydrophobicContact CD1-CG 3.4Å; I51-Y153 HydrophobicContact CD1-CD1 3.86Å; I51-Y153 HydrophobicContact CD1-CD2 4.1Å; I51-Y153 HydrophobicContact CD1-CE1 4.22Å; I51-Y153 HydrophobicContact CD1-CE2 4.46Å; I51-Y153 HydrophobicContact CD1-CG 3.79Å; I51-Y153 HydrophobicContact CG1-CD1 3.98Å; I51-Y153 HydrophobicContact CG1-CD2 4.38Å; I51-Y153 HydrophobicContact CG1-CE1 3.82Å; I51-Y153 HydrophobicContact CG1-CE2 4.25Å; I51-Y153 HydrophobicContact CG1-CG 4.26Å; I51-Y153 HydrophobicContact CG2-CD2 4.41Å; I51-Y153 HydrophobicContact CG2-CE2 4.09Å
52S88.6Confident88Confident54 Ų5447.8 Ų47.838%0.37826%0.255SS..  trans-71.9146.7-17969.10000113T54 L55 I56S52-T54 PolarHBondContact O-N 2.99Å; S52-L55 PolarHBondContact O-N 3.28Å; S52-L55 WeakPolarHBondContact OG-CD1 3.35Å; S52-L55 WeakPolarHBondContact OG-CG 3.17Å; S52-I56 PolarHBondContact O-N 3.16Å
53S86.3Confident86.8Confident99 Ų9949.1 Ų49.169%0.69227%0.267SS*.Hα-helixtrans-57-33.4179.649.50000113.8L55 I56 A57S53-L55 VanDerWaalsContact C-N 3.32Å; S53-L55 PolarHBondContact O-N 3.42Å; S53-I56 PolarHBondContact O-N 3.2Å; S53-A57 PolarHBondContact O-N 3.48Å
54T86.7Confident85.2Confident112 Ų11250.8 Ų50.869%0.68728%0.277SS*.Hα-helixtrans-61.9-38.8174.9-43.50000112.4S52 L58S52-T54 PolarHBondContact O-N 2.99Å; T54-L58 PolarHBondContact O-N 3.38Å
55L87.4Confident83.3Confident19 Ų1954.1 Ų54.110%0.09929%0.294CS..Hα-helixtrans-77.1-33.4176.7-67.7170.9000111.4I51 S52 S53 A57 L58 A59 Y153 K158 L160I51-L55 HydrophobicContact CG2-CB 3.65Å; I51-L55 HydrophobicContact CG2-CD1 3.81Å; I51-L55 HydrophobicContact CG2-CG 4.41Å; S52-L55 PolarHBondContact O-N 3.28Å; S52-L55 WeakPolarHBondContact OG-CD1 3.35Å; S52-L55 WeakPolarHBondContact OG-CG 3.17Å; S53-L55 VanDerWaalsContact C-N 3.32Å; S53-L55 PolarHBondContact O-N 3.42Å; L55-A57 VanDerWaalsContact C-N 3.33Å; L55-A57 PolarHBondContact O-N 3.04Å; L55-L58 CarbonylContact O-C 3.16Å; L55-L58 WeakPolarHBondContact O-CA 3.19Å; L55-L58 WeakPolarHBondContact O-CB 3.27Å; L55-L58 PolarHBondContact O-N 3.08Å; L55-A59 PolarHBondContact O-N 3.49Å; L55-Y153 HydrophobicContact CD1-CD2 4.36Å; L55-Y153 HydrophobicContact CD1-CE2 3.77Å; L55-K158 HydrophobicContact CD1-CB 4.29Å; L55-K158 WeakPolarHBondContact CD1-O 3.39Å; L55-L160 HydrophobicContact CB-CD1 3.84Å; L55-L160 HydrophobicContact CB-CG 4.25Å; L55-L160 HydrophobicContact CD2-CD1 4.36Å; L55-L160 HydrophobicContact CD2-CG 4.15Å; L55-L160 WeakPolarHBondContact O-CD1 3.35Å
56I88.6Confident81.1Confident23 Ų2355.6 Ų55.612%0.11831%0.305CS..Hα-helixtrans-63.8-39.5172.3-59.6-52.9000111.4R48 I51 S52 S53 L58 A59 D60 F109R48-I56 HydrophobicContact CB-CD1 3.92Å; R48-I56 HydrophobicContact CG-CD1 4.09Å; R48-I56 VanDerWaalsContact O-CD1 3.3Å; R48-I56 WeakPolarHBondContact O-CD1 3.49Å; R48-I56 WeakPolarHBondContact O-CG1 3.47Å; I51-I56 HydrophobicContact CB-CD1 4.09Å; I51-I56 HydrophobicContact CG2-CD1 4.04Å; I51-I56 HydrophobicContact CG2-CG1 4.48Å; S52-I56 PolarHBondContact O-N 3.16Å; S53-I56 PolarHBondContact O-N 3.2Å; I56-L58 PolarHBondContact O-N 3.35Å; I56-A59 PolarHBondContact O-N 2.81Å; I56-D60 WeakPolarHBondContact CG2-OD2 3.26Å; I56-D60 WeakPolarHBondContact O-CB 3.38Å; I56-D60 PolarHBondContact O-N 2.88Å; I56-F109 HydrophobicContact CD1-CE2 4.16Å; I56-F109 HydrophobicContact CD1-CZ 4.01Å
57A85.1Confident78.6Confident57 Ų5758.5 Ų58.547%0.47133%0.328SS..Hα-helixtrans-65.6-18.6171.800000114S53 L55 K61S53-A57 PolarHBondContact O-N 3.48Å; L55-A57 VanDerWaalsContact C-N 3.33Å; L55-A57 PolarHBondContact O-N 3.04Å; A57-K61 WeakPolarHBondContact O-CG 3.47Å
58L82.6Confident76.1Confident87 Ų8760.8 Ų60.846%0.45535%0.345SS..Hα-helixtrans-85.2-40.2170.8-17863.7000111.4T54 L55 I56 K61 H62 L160T54-L58 PolarHBondContact O-N 3.38Å; L55-L58 CarbonylContact O-C 3.16Å; L55-L58 WeakPolarHBondContact O-CA 3.19Å; L55-L58 WeakPolarHBondContact O-CB 3.27Å; L55-L58 PolarHBondContact O-N 3.08Å; I56-L58 PolarHBondContact O-N 3.35Å; L58-K61 PolarHBondContact O-N 3.43Å; L58-H62 PolarHBondContact O-N 3.06Å; L58-L160 HydrophobicContact CD2-CB 4.44Å
59A83.5Confident73.6Confident1 Ų167.3 Ų67.31%0.00837%0.37CS..Hα-helixtrans-62.9-44.3174.200000112L55 I56 K61 H62 A63 F109 L151 L160L55-A59 PolarHBondContact O-N 3.49Å; I56-A59 PolarHBondContact O-N 2.81Å; A59-K61 VanDerWaalsContact C-N 3.31Å; A59-K61 PolarHBondContact O-N 3.29Å; A59-H62 CarbonylContact O-C 3.51Å; A59-H62 PolarHBondContact O-N 3.21Å; A59-H62 VanDerWaalsContact O-N 3.16Å; A59-A63 PolarHBondContact O-N 3.25Å; A59-F109 HydrophobicContact CB-CE1 3.74Å; A59-F109 HydrophobicContact CB-CZ 3.74Å; A59-L151 HydrophobicContact CB-CD1 3.67Å; A59-L160 HydrophobicContact CB-CD1 3.99Å
60D83.4Confident71.2Confident45 Ų4568.7 Ų68.724%0.24138%0.379CS..Hα-helixtrans-60.3-39.8175.8-79.7-46.4000111.6R48 I56 A63 T64R48-D60 IonicContact CZ-OD1 2.69Å; R48-D60 IonicContact NH1-OD1 2.71Å; R48-D60 PolarHBondContact NH1-OD1 3.48Å; R48-D60 IonicContact NH1-OD2 3.24Å; R48-D60 PolarHBondContact NH1-OD2 2.99Å; R48-D60 IonicContact NH2-OD1 3.19Å; R48-D60 PolarHBondContact NH2-OD1 3.18Å; I56-D60 WeakPolarHBondContact CG2-OD2 3.26Å; I56-D60 WeakPolarHBondContact O-CB 3.38Å; I56-D60 PolarHBondContact O-N 2.88Å; D60-A63 PolarHBondContact O-N 3.25Å; D60-T64 PolarHBondContact O-N 3.49Å; D60-T64 PolarHBondContact O-OG1 2.6Å
61K78.8Confident68.5Low133 Ų13371 Ų7158%0.57841%0.407SS*.Hα-helixtrans-62.2-45.4172.4-76.7179.1174.4-161.40112.5A57 L58 A59 A63 T64 L65A57-K61 WeakPolarHBondContact O-CG 3.47Å; L58-K61 PolarHBondContact O-N 3.43Å; A59-K61 VanDerWaalsContact C-N 3.31Å; A59-K61 PolarHBondContact O-N 3.29Å; K61-A63 PolarHBondContact O-N 2.84Å; K61-T64 WeakPolarHBondContact CA-OG1 3.35Å; K61-T64 PolarHBondContact O-N 2.83Å; K61-T64 PolarHBondContact O-OG1 3.07Å; K61-L65 HydrophobicContact CB-CD1 4.43Å; K61-L65 VanDerWaalsContact O-CB 3.27Å; K61-L65 WeakPolarHBondContact O-CB 3.45Å; K61-L65 WeakPolarHBondContact O-CD1 3.5Å; K61-L65 WeakPolarHBondContact O-CG 3.49Å; K61-L65 PolarHBondContact O-N 2.56Å
62H73.4Confident66.1Low71 Ų7173.2 Ų73.233%0.32943%0.433SS..Hα-helixtrans-66.3-25.5176.8-169.2-51.2000112.2L58 A59 L151 A162L58-H62 PolarHBondContact O-N 3.06Å; A59-H62 CarbonylContact O-C 3.51Å; A59-H62 PolarHBondContact O-N 3.21Å; A59-H62 VanDerWaalsContact O-N 3.16Å; H62-L151 HydrophobicContact CB-CD1 4.46Å; H62-A162 WeakPolarHBondContact NE2-CB 3.49Å
63A70.4Confident63.8Low28 Ų2877.1 Ų77.123%0.23146%0.457CS..Hα-helixtrans-78-32.1174.300000113A59 D60 K61 M92A59-A63 PolarHBondContact O-N 3.25Å; D60-A63 PolarHBondContact O-N 3.25Å; K61-A63 PolarHBondContact O-N 2.84Å; A63-M92 HydrophobicContact CB-SD 4.3Å
64T62.2Low61.5Low49 Ų4976 Ų7630%0.30146%0.461SS..Hα-helixtrans-80.7-33.6174.851.50000113.3D60 K61 S66 E88 N89 M92D60-T64 PolarHBondContact O-N 3.49Å; D60-T64 PolarHBondContact O-OG1 2.6Å; K61-T64 WeakPolarHBondContact CA-OG1 3.35Å; K61-T64 PolarHBondContact O-N 2.83Å; K61-T64 PolarHBondContact O-OG1 3.07Å; T64-S66 PolarHBondContact O-N 2.95Å; T64-E88 WeakPolarHBondContact O-CA 3.37Å; T64-N89 PolarHBondContact O-N 2.8Å; T64-M92 HydrophobicContact CG2-CE 4.24Å
65L55.1Low59.3Low74 Ų7475.3 Ų75.339%0.38747%0.467SS..BIsolated β-bridgetrans-79.196.4-177.1-71.3168.9000111.8K61 E86K61-L65 HydrophobicContact CB-CD1 4.43Å; K61-L65 VanDerWaalsContact O-CB 3.27Å; K61-L65 WeakPolarHBondContact O-CB 3.45Å; K61-L65 WeakPolarHBondContact O-CD1 3.5Å; K61-L65 WeakPolarHBondContact O-CG 3.49Å; K61-L65 PolarHBondContact O-N 2.56Å; L65-E86 HydrophobicContact CD2-CB 3.63Å; L65-E86 HydrophobicContact CD2-CG 3.64Å
66S49.8Very low57.2Low41 Ų4181.8 Ų81.829%0.28750%0.502SS..  trans-104.8106.9160.651.50000109.2T64 C68 M87 N89T64-S66 PolarHBondContact O-N 2.95Å; S66-C68 PolarHBondContact O-N 3.36Å; S66-C68 VanDerWaalsContact O-N 3.12Å; S66-M87 PolarHBondContact OG-O 3.29Å; S66-N89 WeakPolarHBondContact OG-CA 3.43Å; S66-N89 PolarHBondContact OG-N 2.95Å
67V41.4Very low54.9Low106 Ų10687.9 Ų87.964%0.64253%0.534SS*.  trans-63.7115.1174.3-178.70000108.5Y69V67-Y69 HydrophobicContact CG1-CD2 4.39Å; V67-Y69 HydrophobicContact CG1-CE2 3.93Å
68C40.6Very low52.8Low58 Ų5889.2 Ų89.239%0.39255%0.554SS.*  trans-125.498.2-177.5-169.40000108.7S66 K70 M87S66-C68 PolarHBondContact O-N 3.36Å; S66-C68 VanDerWaalsContact O-N 3.12Å; C68-K70 PolarHBondContact O-N 3.16Å; C68-K70 VanDerWaalsContact O-N 3.12Å; C68-M87 HydrophobicContact CB-CE 3.91Å
69Y38.2Very low50.7Low169 Ų16994 Ų9466%0.66357%0.574SS**  trans-62.7112.8179.5-63.1-87.2000110.3V67V67-Y69 HydrophobicContact CG1-CD2 4.39Å; V67-Y69 HydrophobicContact CG1-CE2 3.93Å
70K34.6Very low48.4Very low143 Ų143103.5 Ų103.562%0.62262%0.618SS**  trans-113114.9170.1-76-178.2179.51700109.5C68 G72 M87C68-K70 PolarHBondContact O-N 3.16Å; C68-K70 VanDerWaalsContact O-N 3.12Å; K70-G72 PolarHBondContact O-N 3.23Å; K70-M87 PolarHBondContact NZ-SD 3.13Å
71A33.2Very low46.3Very low107 Ų107104.1 Ų104.188%0.88464%0.636SS**  trans-67110.5160.600000108.3
72G39.1Very low44.2Very low61 Ų61105.7 Ų105.763%0.62965%0.645SS**  trans-80.4145.5171.600000110.8K70 G74K70-G72 PolarHBondContact O-N 3.23Å; G72-G74 PolarHBondContact O-N 2.94Å
73P39.6Very low42.6Very low136 Ų136108.9 Ų108.988%0.88366%0.663SS**  trans-67.9107.2171.228.4-32.6000109.3
74G37.7Very low41.3Very low75 Ų75116.3 Ų116.377%0.77369%0.693SS**  trans-64.1133.8177.600000111.6G72G72-G74 PolarHBondContact O-N 2.94Å
75A40.8Very low40.3Very low98 Ų98120.6 Ų120.681%0.8171%0.71SS**  trans-73.7130.2162.800000108.5N77A75-N77 PolarHBondContact O-N 2.93Å
76D42.8Very low39.7Very low155 Ų155124.8 Ų124.883%0.82973%0.727SS**SBendtrans-41.1101.3-176.1179.726.1000113.7
77N39.9Very low39.5Very low151 Ų151125.4 Ų125.481%0.80773%0.726SS**SBendtrans-177.450.1168.1-103.5-67.5000113.3A75 E79A75-N77 PolarHBondContact O-N 2.93Å; N77-E79 VanDerWaalsContact C-N 3.28Å; N77-E79 PolarHBondContact O-N 3.44Å
78G41Very low40Very low86 Ų86126.4 Ų126.489%0.88772%0.724SS**SBendtrans59.9-6.2152.800000122.5
79E38.3Very low40.6Very low186 Ų186125.7 Ų125.787%0.86972%0.716SS**  trans-107104.8178.8-68.6-170.1161.700111.2N77 G81N77-E79 VanDerWaalsContact C-N 3.28Å; N77-E79 PolarHBondContact O-N 3.44Å; E79-G81 PolarHBondContact O-N 3.12Å
80E37.1Very low41.4Very low201 Ų201121.3 Ų121.394%0.93971%0.708SS**  trans-7373.3171.9-68.2-170.7152.800111.1E82E80-E82 PolarHBondContact O-N 2.94Å
81G37.9Very low42.4Very low59 Ų59117.6 Ų117.661%0.60869%0.693SS**  trans-7797.6173.200000111.8E79 I83E79-G81 PolarHBondContact O-N 3.12Å; G81-I83 PolarHBondContact O-N 2.87Å
82E35.6Very low43.6Very low165 Ų165115 Ų11577%0.77166%0.664SS**  trans-61.2102.6164.1-67.6-171.7152.400109.8E80E80-E82 PolarHBondContact O-N 2.94Å
83I40.3Very low44.5Very low138 Ų138115.7 Ų115.771%0.70866%0.655SS**  trans-90.1108176.4-61.4178000109.1G81 E85G81-I83 PolarHBondContact O-N 2.87Å; I83-E85 HydrophobicContact CG2-CG 3.84Å; I83-E85 PolarHBondContact O-N 2.68Å
84E41.9Very low45.6Very low184 Ų184115.8 Ų115.886%0.8665%0.649SS**  trans-64.487.2168-64.2177.1160.800110.6
85E42Very low47.3Very low140 Ų140112.6 Ų112.665%0.65461%0.614SS**  trans-84.1116.2170.2-68.3-152.7138.100111.7I83 M87I83-E85 HydrophobicContact CG2-CG 3.84Å; I83-E85 PolarHBondContact O-N 2.68Å; E85-M87 VanDerWaalsContact C-N 3.29Å; E85-M87 PolarHBondContact O-N 3.19Å
86E42.3Very low49.2Very low162 Ų162111.8 Ų111.876%0.75760%0.6SS**  trans-67.279.3170.6-70.3-172.5160.900111L65L65-E86 HydrophobicContact CD2-CB 3.63Å; L65-E86 HydrophobicContact CD2-CG 3.64Å
87M45.9Very low51Low54 Ų54109.5 Ų109.527%0.26658%0.584SS.*  trans-81.6133.4-179.6-161173.474.200112.3S66 C68 K70 E85S66-M87 PolarHBondContact OG-O 3.29Å; C68-M87 HydrophobicContact CB-CE 3.91Å; K70-M87 PolarHBondContact NZ-SD 3.13Å; E85-M87 VanDerWaalsContact C-N 3.29Å; E85-M87 PolarHBondContact O-N 3.19Å
88E50.2Low53Low126 Ų126107.6 Ų107.659%0.58957%0.569SS**BIsolated β-bridgetrans-65.7137.1176.8-65.2-167.8159.100112T64 P90 V93T64-E88 WeakPolarHBondContact O-CA 3.37Å; E88-P90 WeakPolarHBondContact O-CD 3.4Å; E88-P90 VanDerWaalsContact O-N 3.14Å; E88-V93 HydrophobicContact CB-CG2 4.4Å
89N55Low55Low43 Ų43106.2 Ų106.223%0.2354%0.541CS..  trans-54111.9176.4178.3-7.1000112.3T64 S66 E91 M92T64-N89 PolarHBondContact O-N 2.8Å; S66-N89 WeakPolarHBondContact OG-CA 3.43Å; S66-N89 PolarHBondContact OG-N 2.95Å; N89-E91 VanDerWaalsContact C-N 3.33Å; N89-E91 PolarHBondContact O-N 3.17Å; N89-E91 PolarHBondContact OD1-N 3.03Å; N89-M92 PolarHBondContact O-N 3.28Å
90P54.3Low57.1Low77 Ų77100 Ų10050%0.551%0.511SS..Hα-helixtrans-60.1-35.4-172.9-26.936.1000114.7E88 M92 V93E88-P90 WeakPolarHBondContact O-CD 3.4Å; E88-P90 VanDerWaalsContact O-N 3.14Å; P90-M92 PolarHBondContact O-N 3.22Å; P90-V93 PolarHBondContact O-N 3.36Å
91E56.2Low59.3Low65 Ų6592 Ų9230%0.30447%0.474SS..Hα-helixtrans-61-31.4178.7-78.9-132.3126.300112.6N89 L95 S136 L137N89-E91 VanDerWaalsContact C-N 3.33Å; N89-E91 PolarHBondContact O-N 3.17Å; N89-E91 PolarHBondContact OD1-N 3.03Å; E91-L95 WeakPolarHBondContact O-CD1 3.25Å; E91-S136 VanDerWaalsContact OE1-CB 3.31Å; E91-S136 WeakPolarHBondContact OE1-CB 3.46Å; E91-S136 VanDerWaalsContact OE2-CA 3.31Å; E91-S136 WeakPolarHBondContact OE2-CA 3.39Å; E91-L137 PolarHBondContact OE2-N 3.46Å
92M58.1Low61.6Low53 Ų5390.3 Ų90.326%0.26145%0.45SS..Hα-helixtrans-79-27.5-179.8-90.9-17750.700113A63 T64 N89 P90 K100 L137A63-M92 HydrophobicContact CB-SD 4.3Å; T64-M92 HydrophobicContact CG2-CE 4.24Å; N89-M92 PolarHBondContact O-N 3.28Å; P90-M92 PolarHBondContact O-N 3.22Å; M92-K100 WeakPolarHBondContact O-CE 3.23Å; M92-K100 PolarHBondContact O-NZ 2.95Å; M92-L137 HydrophobicContact CG-CD1 3.75Å; M92-L137 HydrophobicContact SD-CD1 4.38Å
93V58.2Low64Low75 Ų7583.1 Ų83.146%0.45542%0.416SS..Hα-helixtrans-66.2-52.2-175.6-178.60000110.8E88 P90 L95 K100E88-V93 HydrophobicContact CB-CG2 4.4Å; P90-V93 PolarHBondContact O-N 3.36Å; V93-L95 VanDerWaalsContact C-N 3.28Å; V93-L95 PolarHBondContact O-N 3.23Å; V93-K100 PolarHBondContact O-NZ 3.38Å
94D62.3Low66.1Low139 Ų13981.5 Ų81.574%0.74340%0.401SS*.SBendtrans-72.3-11-172.9-73.6-16.2000115.5P96D94-P96 WeakPolarHBondContact O-CD 3.45Å
95L72.8Confident68.4Low8 Ų874.3 Ų74.34%0.04237%0.368CS..SBendtrans-72.1130.5-176.4-82.8164.9000112.3E91 V93 L99 K100 L103 K138E91-L95 WeakPolarHBondContact O-CD1 3.25Å; V93-L95 VanDerWaalsContact C-N 3.28Å; V93-L95 PolarHBondContact O-N 3.23Å; L95-L99 HydrophobicContact CD2-CB 4.12Å; L95-L99 HydrophobicContact CD2-CD1 4.02Å; L95-K100 HydrophobicContact CB-CG 3.93Å; L95-K100 VanDerWaalsContact O-CD 3.27Å; L95-K100 WeakPolarHBondContact O-CD 3.4Å; L95-K100 WeakPolarHBondContact O-CE 3.27Å; L95-K100 PolarHBondContact O-NZ 3.27Å; L95-L103 HydrophobicContact CD1-CD1 3.6Å; L95-K138 HydrophobicContact CD2-CG 4.13Å
96P82Confident70.7Confident80 Ų8068.3 Ų68.352%0.51934%0.339SS..  trans-57.8144.3172.2-26.334.5000112.3D94 K98 L99 K100D94-P96 WeakPolarHBondContact O-CD 3.45Å; P96-K98 PolarHBondContact O-N 2.89Å; P96-L99 WeakPolarHBondContact O-CA 3.29Å; P96-L99 WeakPolarHBondContact O-CB 3.45Å; P96-L99 PolarHBondContact O-N 3.43Å; P96-K100 PolarHBondContact O-N 3.2Å; P96-K100 VanDerWaalsContact O-N 3.07Å
97E79.9Confident73Confident107 Ų10761.1 Ų61.150%0.531%0.306SS..Hα-helixtrans-57.9-31-173.3-172.654.2-149.200113.7L99 K100 H101 R104E97-L99 VanDerWaalsContact C-N 3.28Å; E97-L99 PolarHBondContact O-N 3Å; E97-K100 PolarHBondContact O-N 2.94Å; E97-K100 VanDerWaalsContact OE2-CD 3.26Å; E97-K100 WeakPolarHBondContact OE2-CD 3.46Å; E97-H101 VanDerWaalsContact O-CB 3.3Å; E97-H101 WeakPolarHBondContact O-CB 3.29Å; E97-H101 PolarHBondContact O-N 3.44Å; E97-R104 IonicContact OE1-NH1 2.67Å
98K82.6Confident75.3Confident112 Ų11258.5 Ų58.549%0.48729%0.293SS..Hα-helixtrans-59.1-37171.7179.3-175.3175.1-168.70112.7P96 Q102 M432P96-K98 PolarHBondContact O-N 2.89Å; K98-Q102 VanDerWaalsContact O-CG 3.26Å; K98-Q102 WeakPolarHBondContact O-CG 3.42Å; K98-Q102 PolarHBondContact O-N 3.43Å; K98-M432 HydrophobicContact CD-CE 4.27Å; K98-M432 HydrophobicContact CD-SD 3.95Å; K98-M432 HydrophobicContact CG-CE 4.34Å; K98-M432 HydrophobicContact CG-SD 3.95Å
99L83Confident77.4Confident57 Ų5752.5 Ų52.530%0.29827%0.265SS..Hα-helixtrans-81.5-39.6178.9-57.1-167000111L95 P96 E97 H101 Q102 L103 L141L95-L99 HydrophobicContact CD2-CB 4.12Å; L95-L99 HydrophobicContact CD2-CD1 4.02Å; P96-L99 WeakPolarHBondContact O-CA 3.29Å; P96-L99 WeakPolarHBondContact O-CB 3.45Å; P96-L99 PolarHBondContact O-N 3.43Å; E97-L99 VanDerWaalsContact C-N 3.28Å; E97-L99 PolarHBondContact O-N 3Å; L99-H101 PolarHBondContact O-N 2.87Å; L99-Q102 CarbonylContact O-C 3.52Å; L99-Q102 PolarHBondContact O-N 3.12Å; L99-L103 PolarHBondContact O-N 2.98Å; L99-L141 HydrophobicContact CB-CD1 3.81Å; L99-L141 HydrophobicContact CD1-CD1 4.28Å; L99-L141 HydrophobicContact CD2-CD1 4.23Å; L99-L141 HydrophobicContact CG-CD1 4.31Å
100K81.3Confident79.2Confident56 Ų5651.5 Ų51.524%0.24326%0.259CS..Hα-helixtrans-54.1-49.1169.5-70.7170.4164.8145.10111.7M92 V93 L95 P96 E97 Q102 L103 R104M92-K100 WeakPolarHBondContact O-CE 3.23Å; M92-K100 PolarHBondContact O-NZ 2.95Å; V93-K100 PolarHBondContact O-NZ 3.38Å; L95-K100 HydrophobicContact CB-CG 3.93Å; L95-K100 VanDerWaalsContact O-CD 3.27Å; L95-K100 WeakPolarHBondContact O-CD 3.4Å; L95-K100 WeakPolarHBondContact O-CE 3.27Å; L95-K100 PolarHBondContact O-NZ 3.27Å; P96-K100 PolarHBondContact O-N 3.2Å; P96-K100 VanDerWaalsContact O-N 3.07Å; E97-K100 PolarHBondContact O-N 2.94Å; E97-K100 VanDerWaalsContact OE2-CD 3.26Å; E97-K100 WeakPolarHBondContact OE2-CD 3.46Å; K100-Q102 VanDerWaalsContact C-N 3.3Å; K100-Q102 PolarHBondContact O-N 2.71Å; K100-L103 PolarHBondContact O-N 2.91Å; K100-R104 PolarHBondContact O-N 3.02Å
101H84.2Confident81.1Confident33 Ų3347.9 Ų47.915%0.15324%0.236CC..Hα-helixtrans-57.1-39.617317578.4000112.6E97 L99 H105 L430E97-H101 VanDerWaalsContact O-CB 3.3Å; E97-H101 WeakPolarHBondContact O-CB 3.29Å; E97-H101 PolarHBondContact O-N 3.44Å; L99-H101 PolarHBondContact O-N 2.87Å; H101-H105 AromaticContact CD2-NE2 3.55Å; H101-H105 AromaticContact CE1-CE1 3.8Å; H101-H105 AromaticContact CE1-NE2 3.31Å; H101-H105 PolarHBondContact CE1-NE2 3.07Å; H101-H105 VanDerWaalsContact CE1-NE2 3.31Å; H101-H105 AromaticContact CG-NE2 3.88Å; H101-H105 AromaticContact ND1-NE2 3.74Å; H101-H105 AromaticContact NE2-NE2 3.16Å; H101-H105 PolarHBondContact NE2-NE2 3.06Å; H101-H105 VanDerWaalsContact NE2-NE2 3.16Å; H101-H105 PolarHBondContact O-CD2 2.98Å; H101-H105 PolarHBondContact O-NE2 2.76Å; H101-L430 PolarHBondContact NE2-O 2.82Å
102Q85.3Confident82.4Confident22 Ų2253.8 Ų53.810%0.10326%0.255CS..Hα-helixtrans-76.9-32.6-179.4-71.5177.321.400113.4K98 L99 K100 H105 R106 L141 K431K98-Q102 VanDerWaalsContact O-CG 3.26Å; K98-Q102 WeakPolarHBondContact O-CG 3.42Å; K98-Q102 PolarHBondContact O-N 3.43Å; L99-Q102 CarbonylContact O-C 3.52Å; L99-Q102 PolarHBondContact O-N 3.12Å; K100-Q102 VanDerWaalsContact C-N 3.3Å; K100-Q102 PolarHBondContact O-N 2.71Å; Q102-H105 PolarHBondContact O-N 3.26Å; Q102-R106 PolarHBondContact O-N 3.42Å; Q102-L141 HydrophobicContact CB-CD2 3.91Å; Q102-K431 PolarHBondContact NE2-O 2.84Å
103L85.4Confident83.8Confident14 Ų1454.1 Ų54.17%0.07326%0.256CS..Hα-helixtrans-63.2-40.3172.7-78.3169.2000112.2L95 L99 K100 H105 R106 E107 L137 L141 F148L95-L103 HydrophobicContact CD1-CD1 3.6Å; L99-L103 PolarHBondContact O-N 2.98Å; K100-L103 PolarHBondContact O-N 2.91Å; L103-H105 PolarHBondContact O-N 2.93Å; L103-R106 WeakPolarHBondContact O-CA 3.26Å; L103-R106 WeakPolarHBondContact O-CB 3.46Å; L103-R106 PolarHBondContact O-N 3.02Å; L103-E107 PolarHBondContact O-N 2.59Å; L103-E107 VanDerWaalsContact O-N 3.11Å; L103-L137 HydrophobicContact CD1-CB 4.22Å; L103-L137 HydrophobicContact CD2-CB 4.4Å; L103-L137 WeakPolarHBondContact CD2-O 3.22Å; L103-L141 HydrophobicContact CD1-CD1 4.39Å; L103-L141 HydrophobicContact CD2-CD1 4.2Å; L103-L141 HydrophobicContact CD2-CD2 3.91Å; L103-L141 HydrophobicContact CD2-CG 3.74Å; L103-L141 HydrophobicContact CG-CD1 3.97Å; L103-L141 HydrophobicContact CG-CD2 3.97Å; L103-L141 HydrophobicContact CG-CG 3.99Å; L103-F148 HydrophobicContact CD2-CE1 4.35Å
104R86.3Confident85.4Confident104 Ų10454.9 Ų54.939%0.39226%0.257SS..THydrogen-bonded Turntrans-58.6-17.2174.3-72.5176.5173.9143.8-0.7113.9R48 E97 K100R48-R104 WeakPolarHBondContact CD-O 3.42Å; E97-R104 IonicContact OE1-NH1 2.67Å; K100-R104 PolarHBondContact O-N 3.02Å
105H89.2Confident86.9Confident34 Ų3451 Ų5116%0.15724%0.235CC..THydrogen-bonded Turntrans-97.9-6.4171.7-44.1-54.2000114.1H101 Q102 L103 F147H101-H105 AromaticContact CD2-NE2 3.55Å; H101-H105 AromaticContact CE1-CE1 3.8Å; H101-H105 AromaticContact CE1-NE2 3.31Å; H101-H105 PolarHBondContact CE1-NE2 3.07Å; H101-H105 VanDerWaalsContact CE1-NE2 3.31Å; H101-H105 AromaticContact CG-NE2 3.88Å; H101-H105 AromaticContact ND1-NE2 3.74Å; H101-H105 AromaticContact NE2-NE2 3.16Å; H101-H105 PolarHBondContact NE2-NE2 3.06Å; H101-H105 VanDerWaalsContact NE2-NE2 3.16Å; H101-H105 PolarHBondContact O-CD2 2.98Å; H101-H105 PolarHBondContact O-NE2 2.76Å; Q102-H105 PolarHBondContact O-N 3.26Å; L103-H105 PolarHBondContact O-N 2.93Å; H105-F147 WeakPolarHBondContact O-CE1 3.34Å
106R90.2Very high87.9Confident13 Ų1353.4 Ų53.45%0.04925%0.252CS..THydrogen-bonded Turntrans-90.8-21.7168.8-53.4-48.8-162.5104.58.7112.2Q102 L103 Y140 L141 R143 F146 F147 F148 Y427Q102-R106 PolarHBondContact O-N 3.42Å; L103-R106 WeakPolarHBondContact O-CA 3.26Å; L103-R106 WeakPolarHBondContact O-CB 3.46Å; L103-R106 PolarHBondContact O-N 3.02Å; R106-Y140 PolarHBondContact NH1-O 2.73Å; R106-Y140 PolarHBondContact NH2-O 2.96Å; R106-Y140 VanDerWaalsContact NH2-O 3.12Å; R106-L141 HydrophobicContact CG-CD2 4.34Å; R106-L141 PolarHBondContact NH2-O 3.1Å; R106-L141 VanDerWaalsContact NH2-O 3.14Å; R106-R143 PolarHBondContact NH1-O 3.04Å; R106-R143 PolarHBondContact NH2-O 2.93Å; R106-F146 WeakPolarHBondContact CD-O 3.46Å; R106-F146 PolarHBondContact NH1-O 2.65Å; R106-F147 CarbonylContact O-C 3.56Å; R106-F147 WeakPolarHBondContact O-CA 3.27Å; R106-F147 WeakPolarHBondContact O-CB 3.12Å; R106-F147 WeakPolarHBondContact O-CD1 3.47Å; R106-F148 HydrophobicContact CB-CD1 4.22Å; R106-F148 HydrophobicContact CB-CE1 4.06Å; R106-F148 PolarHBondContact O-N 3.12Å; R106-Y427 VanDerWaalsContact CD-CE1 3.5Å
107E91.1Very high88.5Confident11 Ų1151.2 Ų51.25%0.05124%0.236CC..EExtended strand (participates in β ladder)trans-72.4131.9175.4-171.9-17615500112.1R48 L103 F109 F148R48-E107 IonicContact CZ-OE1 3.26Å; R48-E107 IonicContact CZ-OE2 2.72Å; R48-E107 VanDerWaalsContact NE-CD 3.35Å; R48-E107 IonicContact NE-OE1 2.63Å; R48-E107 IonicContact NE-OE2 2.8Å; R48-E107 PolarHBondContact NE-OE2 3.1Å; R48-E107 IonicContact NH2-OE1 2.84Å; R48-E107 PolarHBondContact NH2-OE1 3.04Å; R48-E107 IonicContact NH2-OE2 2.72Å; R48-E107 PolarHBondContact NH2-OE2 3.45Å; L103-E107 PolarHBondContact O-N 2.59Å; L103-E107 VanDerWaalsContact O-N 3.11Å; E107-F109 HydrophobicContact CG-CE2 4.49Å; E107-F109 WeakPolarHBondContact OE1-CZ 3.5Å; E107-F148 HydrophobicContact CB-CE1 4.36Å; E107-F148 HydrophobicContact CB-CE2 3.8Å; E107-F148 HydrophobicContact CB-CZ 3.71Å; E107-F148 HydrophobicContact CG-CD2 4.39Å; E107-F148 HydrophobicContact CG-CE2 3.71Å; E107-F148 HydrophobicContact CG-CZ 4.13Å
108L93.8Very high89.2Confident0 Ų048.6 Ų48.60%023%0.228CC..EExtended strand (participates in β ladder)trans-129.4161.6175.4-62.3176000110.2I24 F45 Y46 R47 V128 F147 F148 Y149I24-L108 HydrophobicContact CB-CD1 3.82Å; I24-L108 HydrophobicContact CD1-CD2 4.11Å; I24-L108 HydrophobicContact CG1-CD1 3.98Å; I24-L108 HydrophobicContact CG1-CD2 4.43Å; I24-L108 HydrophobicContact CG2-CD1 3.62Å; F45-L108 HydrophobicContact CB-CB 4.23Å; F45-L108 HydrophobicContact CB-CD1 4.03Å; F45-L108 HydrophobicContact CD1-CB 3.96Å; F45-L108 HydrophobicContact CD1-CD1 4.26Å; F45-L108 HydrophobicContact CG-CD1 4.31Å; Y46-L108 WeakPolarHBondContact O-CA 3.32Å; R47-L108 HydrophobicContact CG-CD2 3.83Å; L108-V128 HydrophobicContact CD1-CG1 4.09Å; L108-V128 HydrophobicContact CD1-CG2 4.03Å; L108-F147 HydrophobicContact CD1-CB 3.58Å; L108-F147 HydrophobicContact CD1-CD1 3.76Å; L108-F147 HydrophobicContact CD1-CG 3.71Å; L108-F147 HydrophobicContact CD2-CD1 4.18Å; L108-F147 HydrophobicContact CG-CB 4.07Å; L108-F147 HydrophobicContact CG-CD1 3.85Å; L108-F147 HydrophobicContact CG-CG 4.23Å; L108-F148 PolarHBondContact N-O 3.08Å; L108-Y149 VanDerWaalsContact O-CA 3.29Å; L108-Y149 WeakPolarHBondContact O-CA 3.5Å; L108-Y149 WeakPolarHBondContact O-CB 3.35Å
109F94.1Very high89.7Confident0 Ų043.4 Ų43.40%021%0.206CC..EExtended strand (participates in β ladder)trans-116.9122.1174.9-61.2-99000108.8F45 Y46 R48 I51 I56 A59 E107 L151 L160F45-F109 WeakPolarHBondContact CA-O 3.44Å; Y46-F109 PolarHBondContact N-O 3.48Å; Y46-F109 PolarHBondContact O-N 3.42Å; R48-F109 HydrophobicContact CG-CE2 3.82Å; R48-F109 HydrophobicContact CG-CZ 4.38Å; I51-F109 HydrophobicContact CD1-CB 3.72Å; I51-F109 HydrophobicContact CD1-CD1 3.97Å; I51-F109 HydrophobicContact CD1-CD2 3.41Å; I51-F109 VanDerWaalsContact CD1-CD2 3.41Å; I51-F109 HydrophobicContact CD1-CE1 4.47Å; I51-F109 HydrophobicContact CD1-CE2 4.01Å; I51-F109 HydrophobicContact CD1-CG 3.4Å; I56-F109 HydrophobicContact CD1-CE2 4.16Å; I56-F109 HydrophobicContact CD1-CZ 4.01Å; A59-F109 HydrophobicContact CB-CE1 3.74Å; A59-F109 HydrophobicContact CB-CZ 3.74Å; E107-F109 HydrophobicContact CG-CE2 4.49Å; E107-F109 WeakPolarHBondContact OE1-CZ 3.5Å; F109-L151 HydrophobicContact CD1-CB 3.88Å; F109-L151 HydrophobicContact CD1-CD1 4.49Å; F109-L151 HydrophobicContact CE1-CB 4.1Å; F109-L151 HydrophobicContact CE1-CD1 3.86Å; F109-L160 HydrophobicContact CD1-CD2 3.45Å; F109-L160 VanDerWaalsContact CD1-CD2 3.45Å; F109-L160 HydrophobicContact CE1-CD1 4.1Å; F109-L160 HydrophobicContact CE1-CD2 3.78Å; F109-L160 HydrophobicContact CG-CD2 4.46Å
110L94Very high90.1Very high22 Ų2244.9 Ų44.912%0.11522%0.218CC..EExtended strand (participates in β ladder)trans-70128.3177170.460.8000109V43 F45 Y149 L151 V152 Y153V43-L110 HydrophobicContact CG1-CD1 3.54Å; F45-L110 HydrophobicContact CD1-CB 4.39Å; F45-L110 HydrophobicContact CE1-CB 3.91Å; F45-L110 HydrophobicContact CE1-CD1 3.93Å; F45-L110 HydrophobicContact CE2-CD1 4.19Å; F45-L110 HydrophobicContact CZ-CD1 3.67Å; L110-Y149 HydrophobicContact CB-CD2 3.57Å; L110-Y149 HydrophobicContact CB-CE2 3.81Å; L110-Y149 HydrophobicContact CB-CG 4.17Å; L110-Y149 HydrophobicContact CD2-CD2 4.23Å; L110-Y149 HydrophobicContact CD2-CE2 3.56Å; L110-Y149 HydrophobicContact CG-CE2 4.31Å; L110-L151 PolarHBondContact N-O 3.14Å; L110-V152 HydrophobicContact CD2-CG2 4.45Å; L110-V152 CarbonylContact O-C 3.47Å; L110-V152 VanDerWaalsContact O-CA 3.28Å; L110-V152 WeakPolarHBondContact O-CA 3.34Å; L110-V152 WeakPolarHBondContact O-CG1 3.33Å; L110-Y153 PolarHBondContact O-N 2.93Å
111S92.6Very high90.6Very high0 Ų044.9 Ų44.90%022%0.218CC..EExtended strand (participates in β ladder)trans-112.3138.7169.4-169.40000111.5C44 Y46 Q113 Y153 P155C44-S111 WeakPolarHBondContact O-CB 3.4Å; C44-S111 PolarHBondContact O-N 2.71Å; Y46-S111 VanDerWaalsContact CE2-CB 3.5Å; S111-Q113 PolarHBondContact O-N 3.14Å; S111-Q113 PolarHBondContact OG-N 3.03Å; S111-Y153 WeakPolarHBondContact CA-O 3.31Å; S111-Y153 WeakPolarHBondContact CB-O 3.21Å; S111-Y153 PolarHBondContact OG-O 3.21Å; S111-Y153 VanDerWaalsContact OG-O 3.07Å; S111-P155 WeakPolarHBondContact OG-CD 3.36Å
112R83.4Confident91.1Very high189 Ų18943.4 Ų43.471%0.71321%0.212SC*.EExtended strand (participates in β ladder)trans-75.83.4172.3-60.4-177.1-177.6177.11.5112.7V152 D163R112-V152 HydrophobicContact CG-CG1 4.3Å; R112-D163 IonicContact NH2-OD1 2.74Å
113Q88.2Confident91.4Very high60 Ų6045.1 Ų45.128%0.2822%0.217SC..EExtended strand (participates in β ladder)trans-71.4128.9171.8179.2162.8-44.200111.4C44 S111 E115 P155C44-Q113 PolarHBondContact N-O 3.2Å; S111-Q113 PolarHBondContact O-N 3.14Å; S111-Q113 PolarHBondContact OG-N 3.03Å; Q113-E115 HydrophobicContact CG-CG 4.41Å; Q113-E115 PolarHBondContact NE2-OE1 2.94Å; Q113-P155 HydrophobicContact CB-CG 4.15Å; Q113-P155 VanDerWaalsContact OE1-CG 3.24Å
114L92.3Very high91.8Very high92 Ų9245.1 Ų45.148%0.48222%0.221SC..EExtended strand (participates in β ladder)trans-104.4138.2173.6-70.9161.6000110.1E28 V42 V43E28-L114 HydrophobicContact CG-CD2 3.79Å; V42-L114 WeakPolarHBondContact O-CA 3.33Å; V43-L114 HydrophobicContact CG2-CD2 3.71Å
115E93.5Very high92.1Very high57 Ų5743.8 Ų43.827%0.26622%0.218SC..EExtended strand (participates in β ladder)trans-132.4150.7172.7-67.4172.8-165.300109.8R25 K41 V42 C44 Q113R25-E115 IonicContact CZ-OE2 2.7Å; R25-E115 IonicContact NH1-OE2 3.87Å; R25-E115 PolarHBondContact NH1-OE2 2.9Å; R25-E115 IonicContact NH2-OE2 3.77Å; R25-E115 PolarHBondContact NH2-OE2 2.84Å; K41-E115 CarbonylContact C-O 3.47Å; K41-E115 WeakPolarHBondContact CA-O 3.34Å; V42-E115 WeakPolarHBondContact CG2-O 3.36Å; V42-E115 PolarHBondContact N-O 3.19Å; V42-E115 PolarHBondContact O-N 2.96Å; C44-E115 VanDerWaalsContact SG-CD 3.6Å; Q113-E115 HydrophobicContact CG-CG 4.41Å; Q113-E115 PolarHBondContact NE2-OE1 2.94Å
116S93.9Very high92.4Very high59 Ų5943 Ų4341%0.41322%0.216SC..EExtended strand (participates in β ladder)trans-102.2131.5166.8-159.60000109.3E39E39-S116 PolarHBondContact OE2-OG 3.16Å
117L93.9Very high92.5Very high34 Ų3443.9 Ų43.918%0.17822%0.224CC..EExtended strand (participates in β ladder)trans-139.1149.6178.3-68.9175.9000110.4F14 E39 A40 A119F14-L117 HydrophobicContact CD1-CB 4.33Å; F14-L117 HydrophobicContact CD1-CD1 3.84Å; F14-L117 HydrophobicContact CE1-CB 3.76Å; F14-L117 HydrophobicContact CE1-CD1 4.01Å; E39-L117 WeakPolarHBondContact CA-O 3.38Å; A40-L117 PolarHBondContact N-O 3.29Å; A40-L117 PolarHBondContact O-N 2.92Å; L117-A119 PolarHBondContact O-N 3.43Å
118P94.3Very high92.6Very high51 Ų5143.5 Ų43.533%0.33122%0.223SC..EExtended strand (participates in β ladder)trans-54.1129.8172.2-25.834.9000111.4T120 H121P118-T120 PolarHBondContact O-N 3.31Å; P118-T120 VanDerWaalsContact O-N 3.1Å; P118-H121 WeakPolarHBondContact O-CB 3.31Å; P118-H121 PolarHBondContact O-N 3.01Å
119A93.3Very high92.4Very high3 Ų345.4 Ų45.43%0.02523%0.234CC..G310 helixtrans-59-28.9-179.400000111.6V38 L117 H121 I122 I356V38-A119 HydrophobicContact CB-CB 4.24Å; V38-A119 HydrophobicContact CG1-CB 4.09Å; V38-A119 WeakPolarHBondContact O-CB 3.41Å; V38-A119 PolarHBondContact O-N 3.49Å; L117-A119 PolarHBondContact O-N 3.43Å; A119-H121 PolarHBondContact O-N 3.17Å; A119-I122 WeakPolarHBondContact O-CB 3.41Å; A119-I122 WeakPolarHBondContact O-CG1 3.38Å; A119-I122 PolarHBondContact O-N 3.35Å; A119-I356 HydrophobicContact CB-CD1 4.27Å; A119-I356 VanDerWaalsContact O-CD1 3.3Å; A119-I356 WeakPolarHBondContact O-CD1 3.21Å
120T91.9Very high92.1Very high89 Ų8948.2 Ų48.255%0.54625%0.249SC..G310 helixtrans-59.6-7.3174.756.40000115.3P118 R123P118-T120 PolarHBondContact O-N 3.31Å; P118-T120 VanDerWaalsContact O-N 3.1Å; T120-R123 PolarHBondContact O-NH1 3.34Å
121H92.6Very high91.5Very high55 Ų5548.9 Ų48.926%0.25525%0.253SS..G310 helixtrans-81.8-13.5169.5-68.5-178.1000113.4F14 E15 P118 A119F14-H121 HydrophobicContact CD1-CB 3.6Å; F14-H121 HydrophobicContact CE1-CB 3.97Å; E15-H121 PolarHBondContact N-O 2.66Å; P118-H121 WeakPolarHBondContact O-CB 3.31Å; P118-H121 PolarHBondContact O-N 3.01Å; A119-H121 PolarHBondContact O-N 3.17Å
122I94.3Very high90.5Very high3 Ų352.1 Ų52.12%0.01527%0.27CS..EExtended strand (participates in β ladder)trans-67.9142.4175.8-62.7165.7000110.1Y6 V12 Y13 F14 I27 A119 I356Y6-I122 HydrophobicContact CD1-CG2 3.78Å; Y6-I122 HydrophobicContact CD2-CG2 4.43Å; Y6-I122 HydrophobicContact CE1-CG2 3.37Å; Y6-I122 HydrophobicContact CE2-CG2 4.11Å; Y6-I122 HydrophobicContact CG-CG2 4.28Å; V12-I122 HydrophobicContact CB-CG1 4.47Å; V12-I122 HydrophobicContact CB-CG2 4.06Å; V12-I122 HydrophobicContact CG1-CG2 4.01Å; V12-I122 HydrophobicContact CG2-CD1 4.4Å; V12-I122 HydrophobicContact CG2-CG1 4.37Å; Y13-I122 CarbonylContact O-C 3.27Å; Y13-I122 WeakPolarHBondContact O-CA 3.48Å; F14-I122 HydrophobicContact CD1-CG1 4.45Å; F14-I122 HydrophobicContact CD2-CG1 4.03Å; F14-I122 HydrophobicContact CE1-CG1 3.98Å; F14-I122 HydrophobicContact CE2-CD1 4.04Å; F14-I122 HydrophobicContact CE2-CG1 3.54Å; F14-I122 HydrophobicContact CG-CG1 4.47Å; F14-I122 HydrophobicContact CZ-CD1 3.89Å; F14-I122 HydrophobicContact CZ-CG1 3.5Å; F14-I122 VanDerWaalsContact CZ-CG1 3.5Å; I27-I122 HydrophobicContact CD1-CD1 3.97Å; A119-I122 WeakPolarHBondContact O-CB 3.41Å; A119-I122 WeakPolarHBondContact O-CG1 3.38Å; A119-I122 PolarHBondContact O-N 3.35Å; I122-I356 HydrophobicContact CB-CD1 3.81Å; I122-I356 HydrophobicContact CD1-CD1 3.89Å; I122-I356 HydrophobicContact CG1-CD1 4.35Å; I122-I356 HydrophobicContact CG2-CD1 4.3Å
123R91.9Very high89.3Confident57 Ų5751 Ų5122%0.21527%0.273CS..EExtended strand (participates in β ladder)trans-128.1-8.6-177.8-66.8-65.9179.1-94.4-6.8114.9Y13 E15 Y22 T120Y13-R123 PolarHBondContact O-N 3.12Å; E15-R123 HydrophobicContact CB-CG 3.74Å; E15-R123 IonicContact OE2-CZ 3.65Å; E15-R123 VanDerWaalsContact OE2-CZ 3.26Å; E15-R123 IonicContact OE2-NE 3.82Å; E15-R123 PolarHBondContact OE2-NE 2.9Å; E15-R123 IonicContact OE2-NH2 2.76Å; E15-R123 PolarHBondContact OE2-NH2 2.96Å; Y22-R123 HydrophobicContact CD1-CB 4.48Å; Y22-R123 HydrophobicContact CD1-CG 4.33Å; Y22-R123 HydrophobicContact CE1-CB 4Å; Y22-R123 HydrophobicContact CE1-CG 3.77Å; Y22-R123 HydrophobicContact CE2-CB 4.48Å; T120-R123 PolarHBondContact O-NH1 3.34Å
124G92.6Very high87.7Confident15 Ų1554.5 Ų54.516%0.15530%0.298CS..EExtended strand (participates in β ladder)trans167.7167.5-178.100000111.2Y6 V12 Y13Y6-G124 WeakPolarHBondContact OH-CA 3.28Å; Y6-G124 PolarHBondContact OH-N 2.97Å; V12-G124 WeakPolarHBondContact CA-O 3.31Å; Y13-G124 PolarHBondContact N-O 3.49Å
125K93.7Very high86.5Confident76 Ų7653.2 Ų53.233%0.3329%0.29SS..EExtended strand (participates in β ladder)trans-90.5161.7170.9-59.4-165-173.7-164.70111.1M5 Y6 D10 Y11 V12M5-K125 WeakPolarHBondContact O-CE 3.41Å; M5-K125 PolarHBondContact O-NZ 3.49Å; Y6-K125 HydrophobicContact CD1-CD 4.38Å; Y6-K125 HydrophobicContact CD1-CG 3.78Å; Y6-K125 HydrophobicContact CE1-CG 3.56Å; D10-K125 IonicContact OD1-NZ 2.65Å; D10-K125 PolarHBondContact OD1-NZ 3.01Å; D10-K125 WeakPolarHBondContact OD2-CE 3.41Å; D10-K125 IonicContact OD2-NZ 2.73Å; D10-K125 PolarHBondContact OD2-NZ 2.85Å; Y11-K125 WeakPolarHBondContact O-CA 3.29Å; V12-K125 HydrophobicContact CG1-CG 4.39Å
126C94.3Very high85.6Confident17 Ų1753 Ų5312%0.11530%0.295CS..EExtended strand (participates in β ladder)trans-141.4-177.316654.10000108.9Y11 Y13 D145 F147Y11-C126 VanDerWaalsContact C-SG 3.6Å; Y11-C126 PolarHBondContact O-N 3.23Å; Y13-C126 HydrophobicContact CD2-CB 4.46Å; Y13-C126 HydrophobicContact CE1-CB 4.24Å; Y13-C126 HydrophobicContact CE2-CB 3.96Å; C126-D145 CarbonylContact C-O 3.58Å; C126-D145 WeakPolarHBondContact CA-O 3.46Å; C126-D145 HydrophobicContact CB-CB 4.13Å; C126-D145 VanDerWaalsContact CB-O 3.27Å; C126-D145 WeakPolarHBondContact CB-O 3.27Å; C126-F147 HydrophobicContact CB-CD2 4.2Å; C126-F147 HydrophobicContact CB-CE2 3.96Å
127S93.6Very high84.8Confident32 Ų3250.8 Ų50.822%0.22428%0.278CS..EExtended strand (participates in β ladder)trans-125.9136.9169.5-168.70000109.3D145 F146 F147S127-D145 PolarHBondContact N-O 2.95Å; S127-F146 VanDerWaalsContact CB-CE1 3.45Å; S127-F146 VanDerWaalsContact CB-CZ 3.46Å; S127-F146 CarbonylContact O-C 3.07Å; S127-F146 WeakPolarHBondContact OG-CE1 3.18Å; S127-F147 PolarHBondContact O-N 2.73Å
128V93.1Very high84.1Confident3 Ų353.3 Ų53.32%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-130.8119173.6-164.60000107.7Y11 I24 F45 L108 F147 Y149Y11-V128 HydrophobicContact CD1-CB 3.73Å; Y11-V128 HydrophobicContact CD1-CG2 3.53Å; Y11-V128 HydrophobicContact CD2-CB 4.41Å; Y11-V128 HydrophobicContact CE1-CB 3.79Å; Y11-V128 HydrophobicContact CE1-CG2 4.11Å; Y11-V128 HydrophobicContact CE2-CB 4.46Å; Y11-V128 VanDerWaalsContact CE2-O 3.3Å; Y11-V128 WeakPolarHBondContact CE2-O 3.41Å; Y11-V128 HydrophobicContact CG-CB 4.06Å; Y11-V128 HydrophobicContact CG-CG2 3.78Å; Y11-V128 PolarHBondContact OH-O 3.18Å; I24-V128 HydrophobicContact CG2-CG2 3.77Å; F45-V128 HydrophobicContact CD1-CG1 4.26Å; F45-V128 HydrophobicContact CE1-CG1 3.89Å; F45-V128 HydrophobicContact CZ-CG1 4.35Å; L108-V128 HydrophobicContact CD1-CG1 4.09Å; L108-V128 HydrophobicContact CD1-CG2 4.03Å; V128-F147 WeakPolarHBondContact CA-O 3.41Å; V128-F147 HydrophobicContact CB-CB 4.48Å; V128-F147 HydrophobicContact CG1-CB 4.15Å; V128-F147 HydrophobicContact CG2-CB 4.16Å; V128-Y149 HydrophobicContact CG1-CD1 3.97Å
129T89.5Confident83.6Confident39 Ų3952.6 Ų52.624%0.23928%0.284CS..EExtended strand (participates in β ladder)trans-107.5160172.759.10000111.2E135 Y140 F147 F148 Y149T129-E135 PolarHBondContact OG1-OE2 2.78Å; T129-Y140 VanDerWaalsContact OG1-CE1 3.31Å; T129-Y140 WeakPolarHBondContact OG1-CE1 3.31Å; T129-Y140 PolarHBondContact OG1-OH 3.35Å; T129-F147 PolarHBondContact N-O 3.23Å; T129-F147 VanDerWaalsContact N-O 3.16Å; T129-F148 VanDerWaalsContact O-CA 3.29Å; T129-F148 WeakPolarHBondContact O-CA 3.47Å; T129-Y149 WeakPolarHBondContact O-CD1 3.4Å; T129-Y149 PolarHBondContact O-N 3.18Å
130L87.4Confident83.1Confident59 Ų5952.6 Ų52.631%0.30928%0.283SS..EExtended strand (participates in β ladder)trans-70.5137.9162.9-179.469.7000107.4N132 Y149 D163L130-N132 PolarHBondContact O-N 2.95Å; L130-Y149 CarbonylContact C-O 3.45Å; L130-Y149 WeakPolarHBondContact CA-O 3.44Å; L130-Y149 HydrophobicContact CB-CE1 4.1Å; L130-Y149 HydrophobicContact CD1-CD2 4.08Å; L130-Y149 HydrophobicContact CD1-CE1 4.42Å; L130-Y149 HydrophobicContact CD1-CE2 3.63Å; L130-D163 HydrophobicContact CD1-CB 4.41Å
131L82.2Confident82.8Confident37 Ų3750 Ų5019%0.19427%0.265CS..  trans-72.292.1176.6-176.663.5000110.1L137 Y140 F148 Y149L131-L137 HydrophobicContact CD1-CD2 3.81Å; L131-L137 HydrophobicContact CD2-CD2 4.11Å; L131-Y140 HydrophobicContact CD1-CE2 3.81Å; L131-F148 HydrophobicContact CB-CB 4.35Å; L131-F148 HydrophobicContact CB-CD2 4.08Å; L131-F148 HydrophobicContact CD1-CD2 4.45Å; L131-F148 HydrophobicContact CD1-CG 4.49Å; L131-F148 HydrophobicContact CD2-CD2 4.01Å; L131-F148 HydrophobicContact CD2-CE2 4.07Å; L131-F148 HydrophobicContact CG-CD2 4.42Å; L131-Y149 PolarHBondContact N-O 3.12Å
132N70.1Confident82.4Confident68 Ų6855 Ų5536%0.36429%0.289SS..  trans-73.4149.8175.4-65.3-41.3000110.9L130 T134 E135L130-N132 PolarHBondContact O-N 2.95Å; N132-T134 PolarHBondContact O-N 2.95Å; N132-T134 VanDerWaalsContact O-N 3.14Å; N132-E135 HydrophobicContact CB-CB 4.41Å; N132-E135 HydrophobicContact CB-CG 4.29Å; N132-E135 PolarHBondContact ND2-OE1 2.75Å; N132-E135 PolarHBondContact O-N 3.14Å
133E59.3Low81.9Confident165 Ų16561.7 Ų61.777%0.77131%0.314SS*.THydrogen-bonded Turntrans-68.4-10.5179.5-71.1163.2-170.500113.6K164E133-K164 VanDerWaalsContact CG-NZ 3.3Å; E133-K164 IonicContact OE1-NZ 2.66Å; E133-K164 PolarHBondContact OE1-NZ 3.24Å
134T54.8Low81.5Confident134 Ų13465.5 Ų65.582%0.82233%0.334SS*.THydrogen-bonded Turntrans-101.7-7.1177.350.70000114N132N132-T134 PolarHBondContact O-N 2.95Å; N132-T134 VanDerWaalsContact O-N 3.14Å
135E66.8Low81.4Confident65 Ų6566.3 Ų66.330%0.30434%0.335SS..SBendtrans-97.9105.4179.7-79.6176.5-133.400110.6T129 N132 Y140T129-E135 PolarHBondContact OG1-OE2 2.78Å; N132-E135 HydrophobicContact CB-CB 4.41Å; N132-E135 HydrophobicContact CB-CG 4.29Å; N132-E135 PolarHBondContact ND2-OE1 2.75Å; N132-E135 PolarHBondContact O-N 3.14Å; E135-Y140 HydrophobicContact CB-CE2 4.41Å; E135-Y140 PolarHBondContact OE2-OH 3.06Å
136S74.6Confident81.3Confident52 Ų5264.5 Ų64.536%0.36433%0.327SS..  trans-62.7138.6179.566.90000111.9E91 K138 S139E91-S136 VanDerWaalsContact OE1-CB 3.31Å; E91-S136 WeakPolarHBondContact OE1-CB 3.46Å; E91-S136 VanDerWaalsContact OE2-CA 3.31Å; E91-S136 WeakPolarHBondContact OE2-CA 3.39Å; S136-K138 PolarHBondContact O-N 3.08Å; S136-K138 VanDerWaalsContact O-N 3.08Å; S136-S139 WeakPolarHBondContact O-CB 3.5Å; S136-S139 PolarHBondContact O-N 3.2Å; S136-S139 VanDerWaalsContact O-N 3.12Å; S136-S139 PolarHBondContact O-OG 2.87Å
137L76Confident81.2Confident12 Ų1263.7 Ų63.76%0.06332%0.322CS..THydrogen-bonded Turntrans-60.2-27.1-176.1-74.6170.8000112.4E91 M92 L103 L131 S139 Y140 F148E91-L137 PolarHBondContact OE2-N 3.46Å; M92-L137 HydrophobicContact CG-CD1 3.75Å; M92-L137 HydrophobicContact SD-CD1 4.38Å; L103-L137 HydrophobicContact CD1-CB 4.22Å; L103-L137 HydrophobicContact CD2-CB 4.4Å; L103-L137 WeakPolarHBondContact CD2-O 3.22Å; L131-L137 HydrophobicContact CD1-CD2 3.81Å; L131-L137 HydrophobicContact CD2-CD2 4.11Å; L137-S139 VanDerWaalsContact C-N 3.34Å; L137-S139 PolarHBondContact O-N 2.87Å; L137-Y140 PolarHBondContact O-N 2.68Å; L137-F148 HydrophobicContact CD2-CE1 4.2Å; L137-F148 HydrophobicContact CD2-CZ 4.11Å
138K79.9Confident81.1Confident88 Ų8862.7 Ų62.738%0.38331%0.313SS..THydrogen-bonded Turntrans-62-37.6179.2-67.9163.6-172.4160.20112.4L95 S136 Y140 L141 E142L95-K138 HydrophobicContact CD2-CG 4.13Å; S136-K138 PolarHBondContact O-N 3.08Å; S136-K138 VanDerWaalsContact O-N 3.08Å; K138-Y140 PolarHBondContact O-N 3.45Å; K138-L141 WeakPolarHBondContact O-CB 3.31Å; K138-L141 PolarHBondContact O-N 2.74Å; K138-E142 PolarHBondContact O-N 3.49Å
139S83.3Confident81Confident36 Ų3663.8 Ų63.825%0.25232%0.317SS..Hα-helixtrans-58-34.1-178.668.70000113.5S136 L137 L141 E142S136-S139 WeakPolarHBondContact O-CB 3.5Å; S136-S139 PolarHBondContact O-N 3.2Å; S136-S139 VanDerWaalsContact O-N 3.12Å; S136-S139 PolarHBondContact O-OG 2.87Å; L137-S139 VanDerWaalsContact C-N 3.34Å; L137-S139 PolarHBondContact O-N 2.87Å; S139-L141 VanDerWaalsContact C-N 3.29Å; S139-L141 PolarHBondContact O-N 2.99Å; S139-E142 PolarHBondContact O-N 2.79Å
140Y83.8Confident80.9Confident3 Ų362.8 Ų62.81%0.01231%0.312CS..Hα-helixtrans-68.1-24.7176.1-65.3-82.7000113.5R106 T129 L131 E135 L137 K138 F146 F148R106-Y140 PolarHBondContact NH1-O 2.73Å; R106-Y140 PolarHBondContact NH2-O 2.96Å; R106-Y140 VanDerWaalsContact NH2-O 3.12Å; T129-Y140 VanDerWaalsContact OG1-CE1 3.31Å; T129-Y140 WeakPolarHBondContact OG1-CE1 3.31Å; T129-Y140 PolarHBondContact OG1-OH 3.35Å; L131-Y140 HydrophobicContact CD1-CE2 3.81Å; E135-Y140 HydrophobicContact CB-CE2 4.41Å; E135-Y140 PolarHBondContact OE2-OH 3.06Å; L137-Y140 PolarHBondContact O-N 2.68Å; K138-Y140 PolarHBondContact O-N 3.45Å; Y140-F146 HydrophobicContact CD1-CB 4.42Å; Y140-F148 HydrophobicContact CD1-CB 4.18Å; Y140-F148 HydrophobicContact CD1-CD1 4.1Å; Y140-F148 HydrophobicContact CD2-CD1 4.14Å; Y140-F148 HydrophobicContact CE1-CB 3.62Å; Y140-F148 HydrophobicContact CE1-CD1 4.33Å; Y140-F148 HydrophobicContact CE1-CG 4.44Å; Y140-F148 HydrophobicContact CE2-CB 4.31Å; Y140-F148 HydrophobicContact CE2-CD1 4.34Å; Y140-F148 AromaticContact CG-CD1 3.99Å; Y140-F148 HydrophobicContact CG-CD1 3.99Å
141L84.7Confident80.9Confident33 Ų3360.2 Ų60.217%0.17330%0.299CS..Hα-helixtrans-80.6-36.4177.1-68.1178.3000112.4L99 Q102 L103 R106 K138 S139 R143L99-L141 HydrophobicContact CB-CD1 3.81Å; L99-L141 HydrophobicContact CD1-CD1 4.28Å; L99-L141 HydrophobicContact CD2-CD1 4.23Å; L99-L141 HydrophobicContact CG-CD1 4.31Å; Q102-L141 HydrophobicContact CB-CD2 3.91Å; L103-L141 HydrophobicContact CD1-CD1 4.39Å; L103-L141 HydrophobicContact CD2-CD1 4.2Å; L103-L141 HydrophobicContact CD2-CD2 3.91Å; L103-L141 HydrophobicContact CD2-CG 3.74Å; L103-L141 HydrophobicContact CG-CD1 3.97Å; L103-L141 HydrophobicContact CG-CD2 3.97Å; L103-L141 HydrophobicContact CG-CG 3.99Å; R106-L141 HydrophobicContact CG-CD2 4.34Å; R106-L141 PolarHBondContact NH2-O 3.1Å; R106-L141 VanDerWaalsContact NH2-O 3.14Å; K138-L141 WeakPolarHBondContact O-CB 3.31Å; K138-L141 PolarHBondContact O-N 2.74Å; S139-L141 VanDerWaalsContact C-N 3.29Å; S139-L141 PolarHBondContact O-N 2.99Å; L141-R143 VanDerWaalsContact C-N 3.28Å; L141-R143 PolarHBondContact O-N 3.02Å
142E84.5Confident81.4Confident160 Ų16058.9 Ų58.975%0.74829%0.292SS*.Hα-helixtrans-63.1-33.7-178.2-67.4167.7-170.900112.4K138 S139K138-E142 PolarHBondContact O-N 3.49Å; S139-E142 PolarHBondContact O-N 2.79Å
143R84.2Confident82.5Confident145 Ų14556.4 Ų56.455%0.54728%0.278SS..SBendtrans-96.8132.9-179.1-53.7-177.474.5170.33.6111.3R106 L141 F146R106-R143 PolarHBondContact NH1-O 3.04Å; R106-R143 PolarHBondContact NH2-O 2.93Å; L141-R143 VanDerWaalsContact C-N 3.28Å; L141-R143 PolarHBondContact O-N 3.02Å; R143-F146 HydrophobicContact CB-CB 4.1Å; R143-F146 HydrophobicContact CB-CD2 3.45Å; R143-F146 VanDerWaalsContact CB-CD2 3.45Å; R143-F146 HydrophobicContact CB-CE2 4.1Å; R143-F146 HydrophobicContact CB-CG 3.77Å; R143-F146 HydrophobicContact CG-CD2 4.38Å
144E84.2Confident83.9Confident136 Ų13650.7 Ų50.764%0.63625%0.252SS*.THydrogen-bonded Turntrans-71.8144.3166-68.6-146.8168.400110.9F146 K426E144-F146 WeakPolarHBondContact O-CD2 3.39Å; E144-F146 PolarHBondContact O-N 2.84Å; E144-K426 IonicContact OE2-NZ 2.75Å; E144-K426 PolarHBondContact OE2-NZ 2.87Å
145D89.8Confident85.5Confident32 Ų3245.7 Ų45.717%0.17122%0.222CC..THydrogen-bonded Turntrans68.117.8175.1-52.4-17.2000115.1Y13 C126 S127 K426 Y427Y13-D145 HydrophobicContact CE2-CB 4.23Å; Y13-D145 PolarHBondContact OH-OD1 3.12Å; Y13-D145 VanDerWaalsContact OH-OD1 3.07Å; C126-D145 CarbonylContact C-O 3.58Å; C126-D145 WeakPolarHBondContact CA-O 3.46Å; C126-D145 HydrophobicContact CB-CB 4.13Å; C126-D145 VanDerWaalsContact CB-O 3.27Å; C126-D145 WeakPolarHBondContact CB-O 3.27Å; S127-D145 PolarHBondContact N-O 2.95Å; D145-K426 WeakPolarHBondContact OD1-CD 3.25Å; D145-K426 WeakPolarHBondContact OD1-CE 3.49Å; D145-K426 IonicContact OD1-NZ 3.83Å; D145-K426 PolarHBondContact OD1-NZ 3.24Å; D145-K426 WeakPolarHBondContact OD2-CE 3.12Å; D145-K426 IonicContact OD2-NZ 3.14Å; D145-K426 PolarHBondContact OD2-NZ 3.23Å; D145-Y427 PolarHBondContact N-OH 2.68Å; D145-Y427 PolarHBondContact OD1-OH 3.39Å
146F91.2Very high86.5Confident39 Ų3950.4 Ų50.417%0.17124%0.244CC..EExtended strand (participates in β ladder)trans-94135.7170.9-84-105.7000111.9R106 S127 Y140 R143 E144R106-F146 WeakPolarHBondContact CD-O 3.46Å; R106-F146 PolarHBondContact NH1-O 2.65Å; S127-F146 VanDerWaalsContact CB-CE1 3.45Å; S127-F146 VanDerWaalsContact CB-CZ 3.46Å; S127-F146 CarbonylContact O-C 3.07Å; S127-F146 WeakPolarHBondContact OG-CE1 3.18Å; Y140-F146 HydrophobicContact CD1-CB 4.42Å; R143-F146 HydrophobicContact CB-CB 4.1Å; R143-F146 HydrophobicContact CB-CD2 3.45Å; R143-F146 VanDerWaalsContact CB-CD2 3.45Å; R143-F146 HydrophobicContact CB-CE2 4.1Å; R143-F146 HydrophobicContact CB-CG 3.77Å; R143-F146 HydrophobicContact CG-CD2 4.38Å; E144-F146 WeakPolarHBondContact O-CD2 3.39Å; E144-F146 PolarHBondContact O-N 2.84Å
147F93.3Very high87.1Confident0 Ų054.6 Ų54.60%026%0.258CS..EExtended strand (participates in β ladder)trans-135.3163.6178.5-61.8-97000109.4Y13 I24 H105 R106 L108 C126 S127 V128 T129 Y427Y13-F147 AromaticContact CE1-CE2 3.9Å; Y13-F147 HydrophobicContact CE1-CE2 3.9Å; Y13-F147 AromaticContact CE1-CZ 3.88Å; Y13-F147 HydrophobicContact CE1-CZ 3.88Å; Y13-F147 AromaticContact CZ-CE2 3.89Å; Y13-F147 VanDerWaalsContact OH-CE2 3.25Å; Y13-F147 WeakPolarHBondContact OH-CE2 3.25Å; Y13-F147 WeakPolarHBondContact OH-CZ 3.44Å; I24-F147 HydrophobicContact CD1-CE1 4.29Å; I24-F147 HydrophobicContact CD1-CZ 4.31Å; I24-F147 HydrophobicContact CG1-CE1 4.39Å; I24-F147 HydrophobicContact CG1-CE2 4.32Å; I24-F147 HydrophobicContact CG1-CZ 4.19Å; H105-F147 WeakPolarHBondContact O-CE1 3.34Å; R106-F147 CarbonylContact O-C 3.56Å; R106-F147 WeakPolarHBondContact O-CA 3.27Å; R106-F147 WeakPolarHBondContact O-CB 3.12Å; R106-F147 WeakPolarHBondContact O-CD1 3.47Å; L108-F147 HydrophobicContact CD1-CB 3.58Å; L108-F147 HydrophobicContact CD1-CD1 3.76Å; L108-F147 HydrophobicContact CD1-CG 3.71Å; L108-F147 HydrophobicContact CD2-CD1 4.18Å; L108-F147 HydrophobicContact CG-CB 4.07Å; L108-F147 HydrophobicContact CG-CD1 3.85Å; L108-F147 HydrophobicContact CG-CG 4.23Å; C126-F147 HydrophobicContact CB-CD2 4.2Å; C126-F147 HydrophobicContact CB-CE2 3.96Å; S127-F147 PolarHBondContact O-N 2.73Å; V128-F147 WeakPolarHBondContact CA-O 3.41Å; V128-F147 HydrophobicContact CB-CB 4.48Å; V128-F147 HydrophobicContact CG1-CB 4.15Å; V128-F147 HydrophobicContact CG2-CB 4.16Å; T129-F147 PolarHBondContact N-O 3.23Å; T129-F147 VanDerWaalsContact N-O 3.16Å; F147-Y427 AromaticContact CE1-CD1 3.71Å; F147-Y427 HydrophobicContact CE1-CD1 3.71Å; F147-Y427 HydrophobicContact CE1-CE1 4.09Å; F147-Y427 HydrophobicContact CE2-CE1 4.35Å; F147-Y427 AromaticContact CZ-CD1 3.68Å; F147-Y427 HydrophobicContact CZ-CD1 3.68Å; F147-Y427 AromaticContact CZ-CE1 3.73Å; F147-Y427 HydrophobicContact CZ-CE1 3.73Å
148F91.6Very high87.7Confident10 Ų1060.5 Ų60.54%0.04428%0.283CS..EExtended strand (participates in β ladder)trans-132.2160.9171.163.4-91.4000111.4L103 R106 E107 L108 T129 L131 L137 Y140L103-F148 HydrophobicContact CD2-CE1 4.35Å; R106-F148 HydrophobicContact CB-CD1 4.22Å; R106-F148 HydrophobicContact CB-CE1 4.06Å; R106-F148 PolarHBondContact O-N 3.12Å; E107-F148 HydrophobicContact CB-CE1 4.36Å; E107-F148 HydrophobicContact CB-CE2 3.8Å; E107-F148 HydrophobicContact CB-CZ 3.71Å; E107-F148 HydrophobicContact CG-CD2 4.39Å; E107-F148 HydrophobicContact CG-CE2 3.71Å; E107-F148 HydrophobicContact CG-CZ 4.13Å; L108-F148 PolarHBondContact N-O 3.08Å; T129-F148 VanDerWaalsContact O-CA 3.29Å; T129-F148 WeakPolarHBondContact O-CA 3.47Å; L131-F148 HydrophobicContact CB-CB 4.35Å; L131-F148 HydrophobicContact CB-CD2 4.08Å; L131-F148 HydrophobicContact CD1-CD2 4.45Å; L131-F148 HydrophobicContact CD1-CG 4.49Å; L131-F148 HydrophobicContact CD2-CD2 4.01Å; L131-F148 HydrophobicContact CD2-CE2 4.07Å; L131-F148 HydrophobicContact CG-CD2 4.42Å; L137-F148 HydrophobicContact CD2-CE1 4.2Å; L137-F148 HydrophobicContact CD2-CZ 4.11Å; Y140-F148 HydrophobicContact CD1-CB 4.18Å; Y140-F148 HydrophobicContact CD1-CD1 4.1Å; Y140-F148 HydrophobicContact CD2-CD1 4.14Å; Y140-F148 HydrophobicContact CE1-CB 3.62Å; Y140-F148 HydrophobicContact CE1-CD1 4.33Å; Y140-F148 HydrophobicContact CE1-CG 4.44Å; Y140-F148 HydrophobicContact CE2-CB 4.31Å; Y140-F148 HydrophobicContact CE2-CD1 4.34Å; Y140-F148 AromaticContact CG-CD1 3.99Å; Y140-F148 HydrophobicContact CG-CD1 3.99Å
149Y90.4Very high88.1Confident26 Ų2658.7 Ų58.710%0.10228%0.28CS..EExtended strand (participates in β ladder)trans-133.6150.4162.371.9-73.6000109.9F45 L108 L110 V128 T129 L130 L131F45-Y149 AromaticContact CE1-CD1 3.92Å; F45-Y149 HydrophobicContact CE1-CD1 3.92Å; F45-Y149 HydrophobicContact CE1-CE1 4.37Å; F45-Y149 HydrophobicContact CE1-CG 4.17Å; L108-Y149 VanDerWaalsContact O-CA 3.29Å; L108-Y149 WeakPolarHBondContact O-CA 3.5Å; L108-Y149 WeakPolarHBondContact O-CB 3.35Å; L110-Y149 HydrophobicContact CB-CD2 3.57Å; L110-Y149 HydrophobicContact CB-CE2 3.81Å; L110-Y149 HydrophobicContact CB-CG 4.17Å; L110-Y149 HydrophobicContact CD2-CD2 4.23Å; L110-Y149 HydrophobicContact CD2-CE2 3.56Å; L110-Y149 HydrophobicContact CG-CE2 4.31Å; V128-Y149 HydrophobicContact CG1-CD1 3.97Å; T129-Y149 WeakPolarHBondContact O-CD1 3.4Å; T129-Y149 PolarHBondContact O-N 3.18Å; L130-Y149 CarbonylContact C-O 3.45Å; L130-Y149 WeakPolarHBondContact CA-O 3.44Å; L130-Y149 HydrophobicContact CB-CE1 4.1Å; L130-Y149 HydrophobicContact CD1-CD2 4.08Å; L130-Y149 HydrophobicContact CD1-CE1 4.42Å; L130-Y149 HydrophobicContact CD1-CE2 3.63Å; L131-Y149 PolarHBondContact N-O 3.12Å
150S86.6Confident88.3Confident19 Ų1958 Ų5813%0.13327%0.273CS..EExtended strand (participates in β ladder)trans-127.6-11.4172.9520000112.5
151L88.6Confident88.3Confident4 Ų462.9 Ų62.92%0.02130%0.299CS..EExtended strand (participates in β ladder)trans-133.3141-170.1-64.4174.9000110.9A59 H62 F109 L110 L160 L161A59-L151 HydrophobicContact CB-CD1 3.67Å; H62-L151 HydrophobicContact CB-CD1 4.46Å; F109-L151 HydrophobicContact CD1-CB 3.88Å; F109-L151 HydrophobicContact CD1-CD1 4.49Å; F109-L151 HydrophobicContact CE1-CB 4.1Å; F109-L151 HydrophobicContact CE1-CD1 3.86Å; L110-L151 PolarHBondContact N-O 3.14Å; L151-L160 HydrophobicContact CB-CD2 4.39Å; L151-L160 HydrophobicContact CD1-CD1 4.36Å; L151-L161 WeakPolarHBondContact CA-O 3.49Å
152V91.2Very high87.8Confident9 Ų963.5 Ų63.56%0.05531%0.309CS..EExtended strand (participates in β ladder)trans-93.9130.4171.5-175.40000109L110 R112 L160 L161 D163L110-V152 HydrophobicContact CD2-CG2 4.45Å; L110-V152 CarbonylContact O-C 3.47Å; L110-V152 VanDerWaalsContact O-CA 3.28Å; L110-V152 WeakPolarHBondContact O-CA 3.34Å; L110-V152 WeakPolarHBondContact O-CG1 3.33Å; R112-V152 HydrophobicContact CG-CG1 4.3Å; V152-L160 WeakPolarHBondContact O-CA 3.15Å; V152-L161 PolarHBondContact N-O 2.7Å; V152-L161 PolarHBondContact O-N 3Å; V152-D163 HydrophobicContact CG2-CB 3.89Å; V152-D163 VanDerWaalsContact CG2-CG 3.45Å; V152-D163 VanDerWaalsContact CG2-OD1 3.24Å; V152-D163 WeakPolarHBondContact CG2-OD1 3.38Å
153Y93.3Very high86.8Confident17 Ų1758.7 Ų58.77%0.06729%0.288CS..EExtended strand (participates in β ladder)trans-109.5122.1177.1174-121000111.3Y46 I51 L55 L110 S111 P155 T159 L160Y46-Y153 HydrophobicContact CD1-CD1 4.17Å; Y46-Y153 AromaticContact CD1-CE1 3.89Å; Y46-Y153 HydrophobicContact CD1-CE1 3.89Å; Y46-Y153 AromaticContact CD2-CD1 3.86Å; Y46-Y153 HydrophobicContact CD2-CD1 3.86Å; Y46-Y153 HydrophobicContact CD2-CE1 4.33Å; Y46-Y153 HydrophobicContact CE1-CE1 4.11Å; Y46-Y153 HydrophobicContact CE2-CD1 4.3Å; Y46-Y153 AromaticContact CG-CD1 3.81Å; Y46-Y153 HydrophobicContact CG-CD1 3.81Å; Y46-Y153 HydrophobicContact CG-CE1 4.02Å; I51-Y153 HydrophobicContact CD1-CD1 3.86Å; I51-Y153 HydrophobicContact CD1-CD2 4.1Å; I51-Y153 HydrophobicContact CD1-CE1 4.22Å; I51-Y153 HydrophobicContact CD1-CE2 4.46Å; I51-Y153 HydrophobicContact CD1-CG 3.79Å; I51-Y153 HydrophobicContact CG1-CD1 3.98Å; I51-Y153 HydrophobicContact CG1-CD2 4.38Å; I51-Y153 HydrophobicContact CG1-CE1 3.82Å; I51-Y153 HydrophobicContact CG1-CE2 4.25Å; I51-Y153 HydrophobicContact CG1-CG 4.26Å; I51-Y153 HydrophobicContact CG2-CD2 4.41Å; I51-Y153 HydrophobicContact CG2-CE2 4.09Å; L55-Y153 HydrophobicContact CD1-CD2 4.36Å; L55-Y153 HydrophobicContact CD1-CE2 3.77Å; L110-Y153 PolarHBondContact O-N 2.93Å; S111-Y153 WeakPolarHBondContact CA-O 3.31Å; S111-Y153 WeakPolarHBondContact CB-O 3.21Å; S111-Y153 PolarHBondContact OG-O 3.21Å; S111-Y153 VanDerWaalsContact OG-O 3.07Å; Y153-P155 HydrophobicContact CD1-CB 4.39Å; Y153-P155 HydrophobicContact CE1-CB 3.81Å; Y153-P155 VanDerWaalsContact O-CD 3.32Å; Y153-P155 WeakPolarHBondContact O-CD 3.3Å; Y153-T159 WeakPolarHBondContact CD2-O 2.95Å; Y153-L160 HydrophobicContact CD2-CD2 3.99Å; Y153-L160 HydrophobicContact CG-CD2 4.35Å
154D89.9Confident85.9Confident44 Ų4456.2 Ų56.224%0.23528%0.281CS..EExtended strand (participates in β ladder)trans-90.1110.2168.2-173.2-36.1000109.3Q156 Q157 K158 T159D154-Q156 VanDerWaalsContact C-N 3.3Å; D154-Q156 PolarHBondContact O-N 2.78Å; D154-Q156 WeakPolarHBondContact OD1-CA 3.29Å; D154-Q156 WeakPolarHBondContact OD1-CB 3.39Å; D154-Q156 PolarHBondContact OD1-N 3.24Å; D154-Q157 HydrophobicContact CB-CB 4.15Å; D154-Q157 PolarHBondContact OD1-N 3.14Å; D154-Q157 VanDerWaalsContact OD2-CG 3.29Å; D154-Q157 WeakPolarHBondContact OD2-CG 3.22Å; D154-Q157 PolarHBondContact OD2-NE2 3.33Å; D154-K158 WeakPolarHBondContact O-CA 3.43Å; D154-K158 PolarHBondContact O-N 3.12Å; D154-T159 PolarHBondContact N-O 3.33Å; D154-T159 VanDerWaalsContact N-O 3.09Å; D154-T159 PolarHBondContact O-N 3.27Å
155P88.3Confident84.7Confident29 Ų2953.7 Ų53.719%0.18829%0.292CS..THydrogen-bonded Turntrans-76-15-179.431.1-36.2000113.6S111 Q113 Y153S111-P155 WeakPolarHBondContact OG-CD 3.36Å; Q113-P155 HydrophobicContact CB-CG 4.15Å; Q113-P155 VanDerWaalsContact OE1-CG 3.24Å; Y153-P155 HydrophobicContact CD1-CB 4.39Å; Y153-P155 HydrophobicContact CE1-CB 3.81Å; Y153-P155 VanDerWaalsContact O-CD 3.32Å; Y153-P155 WeakPolarHBondContact O-CD 3.3Å
156Q87.3Confident83.6Confident165 Ų16558.7 Ų58.777%0.77131%0.314SS*.THydrogen-bonded Turntrans-84.9-52.4177-54-172.513.900110.3D154D154-Q156 VanDerWaalsContact C-N 3.3Å; D154-Q156 PolarHBondContact O-N 2.78Å; D154-Q156 WeakPolarHBondContact OD1-CA 3.29Å; D154-Q156 WeakPolarHBondContact OD1-CB 3.39Å; D154-Q156 PolarHBondContact OD1-N 3.24Å
157Q87Confident83.1Confident139 Ų13963.9 Ų63.965%0.6534%0.343SS*.THydrogen-bonded Turntrans-77.2-24178.1-60.9-17525.800112.9D154 T159D154-Q157 HydrophobicContact CB-CB 4.15Å; D154-Q157 PolarHBondContact OD1-N 3.14Å; D154-Q157 VanDerWaalsContact OD2-CG 3.29Å; D154-Q157 WeakPolarHBondContact OD2-CG 3.22Å; D154-Q157 PolarHBondContact OD2-NE2 3.33Å; Q157-T159 HydrophobicContact CB-CG2 4.03Å
158K89.5Confident82.5Confident137 Ų13770.3 Ų70.360%0.59637%0.367SS*.THydrogen-bonded Turntrans58.552-171.9-57170.8-173.2167.90111.2L55 D154L55-K158 HydrophobicContact CD1-CB 4.29Å; L55-K158 WeakPolarHBondContact CD1-O 3.39Å; D154-K158 WeakPolarHBondContact O-CA 3.43Å; D154-K158 PolarHBondContact O-N 3.12Å
159T87.8Confident82.4Confident49 Ų4974 Ų7430%0.30139%0.39SS..EExtended strand (participates in β ladder)trans-118.6154.8177.450.60000110.3Y153 D154 Q157Y153-T159 WeakPolarHBondContact CD2-O 2.95Å; D154-T159 PolarHBondContact N-O 3.33Å; D154-T159 VanDerWaalsContact N-O 3.09Å; D154-T159 PolarHBondContact O-N 3.27Å; Q157-T159 HydrophobicContact CB-CG2 4.03Å
160L87.8Confident82.1Confident22 Ų2274.2 Ų74.212%0.11540%0.4CS..EExtended strand (participates in β ladder)trans-114.4138.7168.3-72.5174.4000108.6L55 L58 A59 F109 L151 V152 Y153L55-L160 HydrophobicContact CB-CD1 3.84Å; L55-L160 HydrophobicContact CB-CG 4.25Å; L55-L160 HydrophobicContact CD2-CD1 4.36Å; L55-L160 HydrophobicContact CD2-CG 4.15Å; L55-L160 WeakPolarHBondContact O-CD1 3.35Å; L58-L160 HydrophobicContact CD2-CB 4.44Å; A59-L160 HydrophobicContact CB-CD1 3.99Å; F109-L160 HydrophobicContact CD1-CD2 3.45Å; F109-L160 VanDerWaalsContact CD1-CD2 3.45Å; F109-L160 HydrophobicContact CE1-CD1 4.1Å; F109-L160 HydrophobicContact CE1-CD2 3.78Å; F109-L160 HydrophobicContact CG-CD2 4.46Å; L151-L160 HydrophobicContact CB-CD2 4.39Å; L151-L160 HydrophobicContact CD1-CD1 4.36Å; V152-L160 WeakPolarHBondContact O-CA 3.15Å; Y153-L160 HydrophobicContact CD2-CD2 3.99Å; Y153-L160 HydrophobicContact CG-CD2 4.35Å
161L83.1Confident82.1Confident105 Ų10581.3 Ų81.355%0.5544%0.436SS..EExtended strand (participates in β ladder)trans-126.8142.3174.5-62.1173.9000109L151 V152L151-L161 WeakPolarHBondContact CA-O 3.49Å; V152-L161 PolarHBondContact N-O 2.7Å; V152-L161 PolarHBondContact O-N 3Å
162A74.5Confident82.1Confident47 Ų4790.8 Ų90.839%0.38847%0.471SS..EExtended strand (participates in β ladder)trans-65.5135.3164.400000109.2H62H62-A162 WeakPolarHBondContact NE2-CB 3.49Å
163D63.6Low82Confident58 Ų5895.4 Ų95.431%0.3149%0.489SS..SBendtrans-85.62.9169.6-137.523.9000111.5R112 L130 V152R112-D163 IonicContact NH2-OD1 2.74Å; L130-D163 HydrophobicContact CD1-CB 4.41Å; V152-D163 HydrophobicContact CG2-CB 3.89Å; V152-D163 VanDerWaalsContact CG2-CG 3.45Å; V152-D163 VanDerWaalsContact CG2-OD1 3.24Å; V152-D163 WeakPolarHBondContact CG2-OD1 3.38Å
164K65.3Low82.1Confident93 Ų9399.2 Ų99.240%0.40451%0.507SS..SBendtrans-89.8132.1174.1-66.1-171.6176.2-174.10111E133E133-K164 VanDerWaalsContact CG-NZ 3.3Å; E133-K164 IonicContact OE1-NZ 2.66Å; E133-K164 PolarHBondContact OE1-NZ 3.24Å
165G59.5Low82.5Confident84 Ų84101.1 Ų101.187%0.86653%0.529SS*.  trans-75.1141.8161.200000110.4
166E65.6Low82.9Confident136 Ų136107.3 Ų107.364%0.63656%0.561SS**  trans-123.1125.8-175.4176.1-168.5-126.600109.2R168E166-R168 IonicContact OE2-CZ 3.63Å; E166-R168 IonicContact OE2-NE 2.75Å; E166-R168 PolarHBondContact OE2-NE 3.15Å; E166-R168 IonicContact OE2-NH2 2.98Å; E166-R168 PolarHBondContact OE2-NH2 2.91Å
167I81.7Confident83.4Confident149 Ų149106.1 Ų106.176%0.76456%0.558SS**  trans-75.5142169.8-172.1167.5000109.7
168R80.4Confident83.8Confident135 Ų135105.9 Ų105.951%0.50957%0.566SS.*  trans-122.1140.8-174.1-63.9-174176.2144.92.1112.4E166 Y173 Q174E166-R168 IonicContact OE2-CZ 3.63Å; E166-R168 IonicContact OE2-NE 2.75Å; E166-R168 PolarHBondContact OE2-NE 3.15Å; E166-R168 IonicContact OE2-NH2 2.98Å; E166-R168 PolarHBondContact OE2-NH2 2.91Å; R168-Y173 HydrophobicContact CB-CD1 4.02Å; R168-Y173 HydrophobicContact CB-CD2 3.64Å; R168-Y173 HydrophobicContact CB-CE1 4.24Å; R168-Y173 HydrophobicContact CB-CE2 3.87Å; R168-Y173 HydrophobicContact CB-CG 3.71Å; R168-Q174 PolarHBondContact O-NE2 3.31Å
169V88.4Confident84.2Confident88 Ų88106.3 Ų106.353%0.53358%0.575SS.*  trans-120.4153.4-178-173.60000109.8Y173V169-Y173 WeakPolarHBondContact O-CD2 3.3Å
170G85.1Confident84.6Confident29 Ų29111.7 Ų111.730%0.29960%0.601SS.*SBendtrans107.2156.6-177.100000113.4R172 Y173 Q174G170-R172 PolarHBondContact O-N 3Å; G170-Y173 WeakPolarHBondContact O-CD2 3.41Å; G170-Y173 PolarHBondContact O-N 3.11Å; G170-Q174 PolarHBondContact O-OE1 3.45Å
171N87.1Confident85.1Confident168 Ų168115 Ų11590%0.89862%0.618SS**THydrogen-bonded Turntrans-61.714.8-165-41.157.4000116.8
172R88.9Confident85.7Confident203 Ų203116.3 Ų116.377%0.76662%0.62SS**THydrogen-bonded Turntrans-110.7-2171.2-54.1179.2-58.3-163.5-0.2112.5G170G170-R172 PolarHBondContact O-N 3Å
173Y89.1Confident86.6Confident107 Ų107123.9 Ų123.942%0.4265%0.647SS.*THydrogen-bonded Turntrans-130.4-46-172.7-50.9-65.1000111.7R168 V169 G170R168-Y173 HydrophobicContact CB-CD1 4.02Å; R168-Y173 HydrophobicContact CB-CD2 3.64Å; R168-Y173 HydrophobicContact CB-CE1 4.24Å; R168-Y173 HydrophobicContact CB-CE2 3.87Å; R168-Y173 HydrophobicContact CB-CG 3.71Å; V169-Y173 WeakPolarHBondContact O-CD2 3.3Å; G170-Y173 WeakPolarHBondContact O-CD2 3.41Å; G170-Y173 PolarHBondContact O-N 3.11Å
174Q95.3Very high88Confident97 Ų97125.1 Ų125.145%0.45367%0.674SS.*SBendtrans-64.3141167.3-78.461.339.400110R168 G170R168-Q174 PolarHBondContact O-NE2 3.31Å; G170-Q174 PolarHBondContact O-OE1 3.45Å
175A96.9Very high89.4Confident83 Ų83124.9 Ų124.969%0.68667%0.674SS**PPolyproline II helixtrans-72.1153.4164.300000109.8
176D96.6Very high91.1Very high160 Ų160129.5 Ų129.586%0.85667%0.673SS**PPolyproline II helixtrans-70.6137.3163.5-154.813.7000108.3
177I97.4Very high92.5Very high140 Ų140126.9 Ų126.972%0.71866%0.663SS**PPolyproline II helixtrans-88.8119.5-175.5-62.884000107.9D179I177-D179 PolarHBondContact O-N 3.11Å
178T97.3Very high93.1Very high133 Ų133123.2 Ų123.282%0.81666%0.662SS**PPolyproline II helixtrans-61.6120.3173.4-47.10000110
179D96.8Very high93.9Very high147 Ų147124.1 Ų124.179%0.78667%0.665SS**PPolyproline II helixtrans-56.6147.9174.4-75-43.4000112I177 L181I177-D179 PolarHBondContact O-N 3.11Å; D179-L181 PolarHBondContact O-N 2.94Å
180L96.8Very high94.3Very high162 Ų162123.2 Ų123.285%0.84866%0.657SS**PPolyproline II helixtrans-73.7122.4174.6-176.3141.9000109.9
181L97.1Very high94.9Very high90 Ų90127.7 Ų127.747%0.47167%0.671SS.*PPolyproline II helixtrans-58.7135.8177.3-64.8172.5000110.9D179 E185 D187D179-L181 PolarHBondContact O-N 2.94Å; L181-E185 HydrophobicContact CB-CB 4.32Å; L181-E185 HydrophobicContact CD2-CB 4.37Å; L181-D187 HydrophobicContact CD1-CB 3.76Å
182K96.1Very high95.3Very high134 Ų134124 Ų12458%0.58366%0.658SS**PPolyproline II helixtrans-74.1162.4178.4-57.7174.4-144.669.80110.9G184 E185K182-G184 PolarHBondContact O-N 2.96Å; K182-G184 VanDerWaalsContact O-N 3.12Å; K182-E185 HydrophobicContact CB-CG 4.09Å; K182-E185 WeakPolarHBondContact CB-OE2 3.21Å; K182-E185 WeakPolarHBondContact CG-OE2 3.34Å; K182-E185 PolarHBondContact N-OE2 3.44Å; K182-E185 IonicContact NZ-OE1 3.78Å; K182-E185 PolarHBondContact NZ-OE1 3.15Å; K182-E185 IonicContact NZ-OE2 2.66Å; K182-E185 PolarHBondContact NZ-OE2 3.19Å; K182-E185 WeakPolarHBondContact O-CB 3.27Å; K182-E185 PolarHBondContact O-N 2.68Å
183E93.6Very high95.7Very high205 Ų205122.3 Ų122.396%0.95866%0.656SS**THydrogen-bonded Turntrans-56118.5172.8-62.4-177.1170.900110.6
184G93Very high96.1Very high85 Ų85122.4 Ų122.488%0.87666%0.664SS**THydrogen-bonded Turntrans90.9-1.9-175.900000116K182K182-G184 PolarHBondContact O-N 2.96Å; K182-G184 VanDerWaalsContact O-N 3.12Å
185E95.4Very high96.2Very high88 Ų88123.5 Ų123.541%0.41167%0.669SS.*  trans-89123.2168.8-66179.115900110.2L181 K182L181-E185 HydrophobicContact CB-CB 4.32Å; L181-E185 HydrophobicContact CD2-CB 4.37Å; K182-E185 HydrophobicContact CB-CG 4.09Å; K182-E185 WeakPolarHBondContact CB-OE2 3.21Å; K182-E185 WeakPolarHBondContact CG-OE2 3.34Å; K182-E185 PolarHBondContact N-OE2 3.44Å; K182-E185 IonicContact NZ-OE1 3.78Å; K182-E185 PolarHBondContact NZ-OE1 3.15Å; K182-E185 IonicContact NZ-OE2 2.66Å; K182-E185 PolarHBondContact NZ-OE2 3.19Å; K182-E185 WeakPolarHBondContact O-CB 3.27Å; K182-E185 PolarHBondContact O-N 2.68Å
186E93.4Very high96.2Very high180 Ų180125.4 Ų125.484%0.84167%0.672SS**  trans-87153.2175-67-171160.600112G188E186-G188 PolarHBondContact O-N 2.93Å
187D95.6Very high96.2Very high82 Ų82123.2 Ų123.244%0.43966%0.655SS.*  trans-75.7-8.3178.677.8-0.4000114.4L181 R189L181-D187 HydrophobicContact CD1-CB 3.76Å; D187-R189 PolarHBondContact O-N 3.21Å; D187-R189 WeakPolarHBondContact OD1-CB 3.29Å; D187-R189 PolarHBondContact OD1-N 3.35Å; D187-R189 IonicContact OD2-CZ 3.98Å; D187-R189 IonicContact OD2-NE 2.98Å; D187-R189 PolarHBondContact OD2-NE 2.77Å; D187-R189 IonicContact OD2-NH2 2.81Å; D187-R189 PolarHBondContact OD2-NH2 3.05Å
188G95.1Very high96.2Very high71 Ų71120.3 Ų120.373%0.73264%0.643SS**  trans66.114.5178.300000115.5E186 D190E186-G188 PolarHBondContact O-N 2.93Å; G188-D190 PolarHBondContact O-N 3.21Å
189R96.9Very high96.3Very high155 Ų155117.8 Ų117.859%0.58562%0.619SS**  trans-90.5108.1-173.2-67.6-169.1-60.3128.513113.2D187 Q191 L194D187-R189 PolarHBondContact O-N 3.21Å; D187-R189 WeakPolarHBondContact OD1-CB 3.29Å; D187-R189 PolarHBondContact OD1-N 3.35Å; D187-R189 IonicContact OD2-CZ 3.98Å; D187-R189 IonicContact OD2-NE 2.98Å; D187-R189 PolarHBondContact OD2-NE 2.77Å; D187-R189 IonicContact OD2-NH2 2.81Å; D187-R189 PolarHBondContact OD2-NH2 3.05Å; R189-Q191 PolarHBondContact O-N 3.49Å; R189-Q191 VanDerWaalsContact O-N 3.07Å; R189-L194 HydrophobicContact CB-CD1 4.11Å
190D96.9Very high96.3Very high68 Ų68113.1 Ų113.136%0.36459%0.593SS.*  trans-69.5100.3168.6179.6-1.3000111.5G188 S192 K193G188-D190 PolarHBondContact O-N 3.21Å; D190-S192 PolarHBondContact O-N 3.4Å; D190-S192 WeakPolarHBondContact OD1-CB 3.31Å; D190-S192 PolarHBondContact OD1-N 3.33Å; D190-S192 PolarHBondContact OD1-OG 3.2Å; D190-S192 PolarHBondContact OD2-OG 3.28Å; D190-K193 PolarHBondContact O-N 3.41Å; D190-K193 VanDerWaalsContact O-N 3.13Å; D190-K193 IonicContact OD2-NZ 2.93Å; D190-K193 PolarHBondContact OD2-NZ 3.2Å
191Q96.9Very high96.4Very high123 Ų123108.9 Ų108.958%0.57558%0.58SS**G310 helixtrans-60.7-27-179.7-63.8-170.47800113.3R189 K193 L194 E195R189-Q191 PolarHBondContact O-N 3.49Å; R189-Q191 VanDerWaalsContact O-N 3.07Å; Q191-K193 PolarHBondContact O-N 2.94Å; Q191-K193 VanDerWaalsContact O-N 3.16Å; Q191-L194 PolarHBondContact O-N 3.23Å; Q191-E195 PolarHBondContact O-N 3.07Å
192S95.9Very high96.4Very high92 Ų92112.6 Ų112.664%0.64360%0.595SS**G310 helixtrans-68.3-14178.375.10000113.9D190D190-S192 PolarHBondContact O-N 3.4Å; D190-S192 WeakPolarHBondContact OD1-CB 3.31Å; D190-S192 PolarHBondContact OD1-N 3.33Å; D190-S192 PolarHBondContact OD1-OG 3.2Å; D190-S192 PolarHBondContact OD2-OG 3.28Å
193K96.8Very high96.4Very high166 Ų166107.6 Ų107.672%0.72258%0.575SS**G310 helixtrans-96.9-8.2171.3-64.9-175.7177.774.90113.4D190 Q191D190-K193 PolarHBondContact O-N 3.41Å; D190-K193 VanDerWaalsContact O-N 3.13Å; D190-K193 IonicContact OD2-NZ 2.93Å; D190-K193 PolarHBondContact OD2-NZ 3.2Å; Q191-K193 PolarHBondContact O-N 2.94Å; Q191-K193 VanDerWaalsContact O-N 3.16Å
194L97.3Very high96.6Very high110 Ų110102.8 Ų102.858%0.57656%0.562SS**THydrogen-bonded Turntrans-107-36.8-175.6-62177.2000112.1R189 Q191R189-L194 HydrophobicContact CB-CD1 4.11Å; Q191-L194 PolarHBondContact O-N 3.23Å
195E97.4Very high96.8Very high120 Ų12099.8 Ų99.856%0.56153%0.525SS*.  trans-143.7155.4-178.459.7169.9-113.400113.4Q191Q191-E195 PolarHBondContact O-N 3.07Å
196T97.3Very high97Very high122 Ų12299.4 Ų99.475%0.74853%0.529SS*.  trans-127.7124.4167.7-59.80000107.1V198T196-V198 PolarHBondContact O-N 3.2Å
197K97.3Very high97.2Very high115 Ų11597 Ų9750%0.552%0.522SS..  trans-66.3131.7176.4-170173.6-70.2-173.80110.2W199 E200 H259K197-W199 VanDerWaalsContact CG-O 3.3Å; K197-W199 WeakPolarHBondContact CG-O 3.37Å; K197-E200 HydrophobicContact CD-CB 4.32Å; K197-E200 IonicContact NZ-OE2 3.92Å; K197-E200 PolarHBondContact NZ-OE2 2.84Å; K197-H259 PolarHBondContact O-NE2 2.83Å
198V97.9Very high97.3Very high79 Ų79100 Ų10048%0.47953%0.531SS..  trans-113-23.5178.6-176.30000111.6T196 D256 H259T196-V198 PolarHBondContact O-N 3.2Å; V198-D256 WeakPolarHBondContact CG1-OD1 3.47Å; V198-H259 VanDerWaalsContact C-CD2 3.41Å; V198-H259 WeakPolarHBondContact O-CB 3.39Å; V198-H259 PolarHBondContact O-CD2 2.94Å
199W98.2Very high97.5Very high80 Ų80100 Ų10030%0.30351%0.512SS..  trans-148.3145.6174.3-174.6-97.2000110.3K197 I210 M255 L258 H259 Y263K197-W199 VanDerWaalsContact CG-O 3.3Å; K197-W199 WeakPolarHBondContact CG-O 3.37Å; W199-I210 HydrophobicContact CH2-CD1 4.17Å; W199-I210 HydrophobicContact CH2-CG2 4.41Å; W199-I210 HydrophobicContact CZ2-CD1 4Å; W199-M255 HydrophobicContact CD2-CE 4.09Å; W199-M255 HydrophobicContact CE3-CB 4.03Å; W199-M255 HydrophobicContact CE3-CE 3.91Å; W199-M255 HydrophobicContact CE3-SD 4.47Å; W199-M255 HydrophobicContact CH2-CE 3.3Å; W199-M255 HydrophobicContact CH2-SD 3.72Å; W199-M255 HydrophobicContact CZ2-CE 3.52Å; W199-M255 HydrophobicContact CZ3-CB 3.91Å; W199-M255 HydrophobicContact CZ3-CE 3.51Å; W199-M255 HydrophobicContact CZ3-CG 4.4Å; W199-M255 WeakPolarHBondContact CZ3-O 3.39Å; W199-M255 HydrophobicContact CZ3-SD 3.7Å; W199-L258 HydrophobicContact CH2-CD1 4.05Å; W199-L258 HydrophobicContact CZ3-CB 4.03Å; W199-L258 HydrophobicContact CZ3-CD1 4.15Å; W199-H259 HydrophobicContact CE3-CB 4.43Å; W199-Y263 HydrophobicContact CD2-CE1 4.38Å; W199-Y263 HydrophobicContact CE3-CE1 4.02Å; W199-Y263 HydrophobicContact CH2-CD1 4.48Å; W199-Y263 AromaticContact CH2-CE1 3.66Å; W199-Y263 HydrophobicContact CH2-CE1 3.66Å; W199-Y263 HydrophobicContact CZ2-CE1 4.01Å; W199-Y263 AromaticContact CZ3-CE1 3.66Å; W199-Y263 HydrophobicContact CZ3-CE1 3.66Å
200E97.7Very high97.6Very high49 Ų4993.4 Ų93.423%0.22949%0.488CS..  trans-109.7125.2169177.451.2-109.400109.2K197 H202 N203 Y263K197-E200 HydrophobicContact CD-CB 4.32Å; K197-E200 IonicContact NZ-OE2 3.92Å; K197-E200 PolarHBondContact NZ-OE2 2.84Å; E200-H202 VanDerWaalsContact C-N 3.35Å; E200-H202 IonicContact OE1-CG 2.69Å; E200-H202 PolarHBondContact OE1-N 2.96Å; E200-H202 IonicContact OE1-ND1 3.12Å; E200-H202 PolarHBondContact OE1-ND1 3.44Å; E200-H202 VanDerWaalsContact OE1-ND1 3.12Å; E200-N203 PolarHBondContact O-ND2 3.44Å; E200-N203 VanDerWaalsContact O-ND2 3.15Å; E200-Y263 HydrophobicContact CB-CE2 4.07Å; E200-Y263 PolarHBondContact N-OH 3.43Å; E200-Y263 PolarHBondContact O-OH 2.89Å
201A97.8Very high97.6Very high72 Ų7295.1 Ų95.160%0.59550%0.497SS*.SBendtrans-68.4-36.9178.400000111.4N203A201-N203 VanDerWaalsContact C-N 3.33Å; A201-N203 PolarHBondContact O-N 3.39Å; A201-N203 VanDerWaalsContact O-N 3.17Å; A201-N203 PolarHBondContact O-ND2 3.41Å
202H97.1Very high97.7Very high168 Ų16894.3 Ų94.378%0.77849%0.494SS*.SBendtrans-91.764.1-178.7-50.389.8000111E200E200-H202 VanDerWaalsContact C-N 3.35Å; E200-H202 IonicContact OE1-CG 2.69Å; E200-H202 PolarHBondContact OE1-N 2.96Å; E200-H202 IonicContact OE1-ND1 3.12Å; E200-H202 PolarHBondContact OE1-ND1 3.44Å; E200-H202 VanDerWaalsContact OE1-ND1 3.12Å
203N96.6Very high97.8Very high29 Ų2990.1 Ų90.116%0.15546%0.464CS..  trans-100.5160.5-179.47282.7000111.5E200 A201 L205 Y263E200-N203 PolarHBondContact O-ND2 3.44Å; E200-N203 VanDerWaalsContact O-ND2 3.15Å; A201-N203 VanDerWaalsContact C-N 3.33Å; A201-N203 PolarHBondContact O-N 3.39Å; A201-N203 VanDerWaalsContact O-N 3.17Å; A201-N203 PolarHBondContact O-ND2 3.41Å; N203-L205 PolarHBondContact O-N 3.16Å; N203-L205 WeakPolarHBondContact OD1-CB 3.32Å; N203-L205 PolarHBondContact OD1-N 3.29Å; N203-L205 VanDerWaalsContact OD1-N 3.17Å; N203-Y263 HydrophobicContact CB-CD1 3.63Å; N203-Y263 HydrophobicContact CB-CD2 3.78Å; N203-Y263 HydrophobicContact CB-CE1 3.62Å; N203-Y263 HydrophobicContact CB-CE2 3.78Å; N203-Y263 HydrophobicContact CB-CG 3.72Å
204P97.9Very high97.9Very high105 Ų10583.5 Ų83.568%0.68244%0.436SS*.SBendtrans-79.48.7-173.433.4-37.9000114.7
205L98.1Very high98Very high22 Ų2281.7 Ų81.712%0.11543%0.43CS..  trans-100.7144.8-178.9-54.5175000111N203 Q209 I210 L258 Y263 I265N203-L205 PolarHBondContact O-N 3.16Å; N203-L205 WeakPolarHBondContact OD1-CB 3.32Å; N203-L205 PolarHBondContact OD1-N 3.29Å; N203-L205 VanDerWaalsContact OD1-N 3.17Å; L205-Q209 HydrophobicContact CB-CB 4.34Å; L205-Q209 HydrophobicContact CD2-CB 4.46Å; L205-I210 HydrophobicContact CB-CD1 4.25Å; L205-I210 HydrophobicContact CB-CG1 3.91Å; L205-I210 HydrophobicContact CD1-CG1 4.06Å; L205-L258 HydrophobicContact CD1-CD1 4.35Å; L205-L258 HydrophobicContact CD1-CD2 4.13Å; L205-Y263 HydrophobicContact CD1-CD1 3.93Å; L205-Y263 HydrophobicContact CG-CD1 4.49Å; L205-I265 HydrophobicContact CD1-CD1 3.69Å; L205-I265 HydrophobicContact CD1-CG1 4.49Å; L205-I265 HydrophobicContact CD2-CD1 3.85Å; L205-I265 HydrophobicContact CD2-CG1 3.78Å; L205-I265 HydrophobicContact CG-CD1 4.43Å
206T98.3Very high98Very high80 Ų8078.5 Ų78.549%0.49142%0.418SS..  trans-78.4152.516460.50000110.6K208 Q209 I210T206-K208 PolarHBondContact O-N 3.09Å; T206-K208 VanDerWaalsContact O-N 3.07Å; T206-Q209 WeakPolarHBondContact O-CA 3.31Å; T206-Q209 WeakPolarHBondContact O-CB 3.48Å; T206-Q209 PolarHBondContact O-N 3.49Å; T206-Q209 PolarHBondContact OG1-OE1 3.28Å; T206-I210 PolarHBondContact O-N 3.18Å; T206-I210 VanDerWaalsContact O-N 3.15Å
207D98.2Very high98Very high129 Ų12972.9 Ų72.969%0.6938%0.384SS*.Hα-helixtrans-47.6-40.7174.3-56.5-20.8000111.9Q209 I210 D211D207-Q209 VanDerWaalsContact C-N 3.33Å; D207-Q209 PolarHBondContact O-N 3.4Å; D207-I210 CarbonylContact O-C 3.6Å; D207-I210 WeakPolarHBondContact O-CB 3.27Å; D207-I210 PolarHBondContact O-N 3.06Å; D207-I210 VanDerWaalsContact O-N 3.12Å; D207-D211 WeakPolarHBondContact O-CB 3.48Å; D207-D211 PolarHBondContact O-N 3.49Å
208K98.4Very high98.1Very high144 Ų14471.5 Ų71.563%0.62638%0.376SS*.Hα-helixtrans-59.8-36.9176.8-174.2179.3179.6-177.80113.5T206 Q212T206-K208 PolarHBondContact O-N 3.09Å; T206-K208 VanDerWaalsContact O-N 3.07Å; K208-Q212 WeakPolarHBondContact O-CB 3.39Å; K208-Q212 WeakPolarHBondContact O-CG 3.16Å; K208-Q212 PolarHBondContact O-N 2.95Å
209Q98.4Very high98.1Very high73 Ų7371.2 Ų71.234%0.34138%0.377SS..Hα-helixtrans-74.2-35.1175.9-70.2162.1-80.300111.4L205 T206 D207 Q212 F213L205-Q209 HydrophobicContact CB-CB 4.34Å; L205-Q209 HydrophobicContact CD2-CB 4.46Å; T206-Q209 WeakPolarHBondContact O-CA 3.31Å; T206-Q209 WeakPolarHBondContact O-CB 3.48Å; T206-Q209 PolarHBondContact O-N 3.49Å; T206-Q209 PolarHBondContact OG1-OE1 3.28Å; D207-Q209 VanDerWaalsContact C-N 3.33Å; D207-Q209 PolarHBondContact O-N 3.4Å; Q209-Q212 PolarHBondContact O-N 3.09Å; Q209-F213 WeakPolarHBondContact O-CB 3.04Å; Q209-F213 PolarHBondContact O-N 3.29Å
210I98.5Very high98Very high16 Ų1668.3 Ų68.38%0.08237%0.368CS..Hα-helixtrans-65.9-50174.6-60.7167.2000109.5W199 L205 T206 D207 Q212 F213 L214 M255 L258W199-I210 HydrophobicContact CH2-CD1 4.17Å; W199-I210 HydrophobicContact CH2-CG2 4.41Å; W199-I210 HydrophobicContact CZ2-CD1 4Å; L205-I210 HydrophobicContact CB-CD1 4.25Å; L205-I210 HydrophobicContact CB-CG1 3.91Å; L205-I210 HydrophobicContact CD1-CG1 4.06Å; T206-I210 PolarHBondContact O-N 3.18Å; T206-I210 VanDerWaalsContact O-N 3.15Å; D207-I210 CarbonylContact O-C 3.6Å; D207-I210 WeakPolarHBondContact O-CB 3.27Å; D207-I210 PolarHBondContact O-N 3.06Å; D207-I210 VanDerWaalsContact O-N 3.12Å; I210-Q212 VanDerWaalsContact C-N 3.32Å; I210-Q212 PolarHBondContact O-N 3.18Å; I210-F213 CarbonylContact O-C 3.58Å; I210-F213 WeakPolarHBondContact O-CA 3.27Å; I210-F213 WeakPolarHBondContact O-CB 2.75Å; I210-F213 PolarHBondContact O-N 3.1Å; I210-L214 HydrophobicContact CG2-CD1 4.31Å; I210-L214 HydrophobicContact CG2-CG 4.45Å; I210-L214 WeakPolarHBondContact O-CG 3.39Å; I210-L214 PolarHBondContact O-N 3.05Å; I210-M255 HydrophobicContact CG2-CE 4.19Å; I210-M255 HydrophobicContact CG2-SD 3.75Å; I210-L258 HydrophobicContact CG2-CD1 4.31Å
211D98.4Very high97.9Very high103 Ų10366.1 Ų66.155%0.55136%0.359SS*.Hα-helixtrans-55.3-44.7173.8-85.1-21.5000112.3D207 F213 L214 V215D207-D211 WeakPolarHBondContact O-CB 3.48Å; D207-D211 PolarHBondContact O-N 3.49Å; D211-F213 VanDerWaalsContact C-N 3.34Å; D211-F213 PolarHBondContact O-N 3.45Å; D211-L214 PolarHBondContact O-N 3.06Å; D211-V215 WeakPolarHBondContact O-CG2 3.48Å; D211-V215 PolarHBondContact O-N 3.04Å
212Q98.4Very high97.7Very high107 Ų10764 Ų6450%0.534%0.338SS..Hα-helixtrans-61.8-41.2175.5-78.4173.6-21.700111.8K208 Q209 I210 V215 V216K208-Q212 WeakPolarHBondContact O-CB 3.39Å; K208-Q212 WeakPolarHBondContact O-CG 3.16Å; K208-Q212 PolarHBondContact O-N 2.95Å; Q209-Q212 PolarHBondContact O-N 3.09Å; I210-Q212 VanDerWaalsContact C-N 3.32Å; I210-Q212 PolarHBondContact O-N 3.18Å; Q212-V215 PolarHBondContact O-N 2.99Å; Q212-V216 WeakPolarHBondContact O-CG2 3.18Å; Q212-V216 PolarHBondContact O-N 2.89Å
213F98.6Very high97.5Very high4 Ų461.8 Ų61.82%0.01833%0.327CS..Hα-helixtrans-65.5-39.9174.1-172.7-93.1000112.2Q209 I210 D211 V215 V216 A217 A254 T257 L258 I265 A268 I269 L272Q209-F213 WeakPolarHBondContact O-CB 3.04Å; Q209-F213 PolarHBondContact O-N 3.29Å; I210-F213 CarbonylContact O-C 3.58Å; I210-F213 WeakPolarHBondContact O-CA 3.27Å; I210-F213 WeakPolarHBondContact O-CB 2.75Å; I210-F213 PolarHBondContact O-N 3.1Å; D211-F213 VanDerWaalsContact C-N 3.34Å; D211-F213 PolarHBondContact O-N 3.45Å; F213-V215 VanDerWaalsContact C-N 3.3Å; F213-V215 PolarHBondContact O-N 2.77Å; F213-V216 PolarHBondContact O-N 2.64Å; F213-A217 WeakPolarHBondContact O-CB 3.27Å; F213-A217 PolarHBondContact O-N 3.22Å; F213-A254 HydrophobicContact CD1-CB 4.23Å; F213-A254 HydrophobicContact CE1-CB 3.89Å; F213-A254 WeakPolarHBondContact CE1-O 3.26Å; F213-T257 HydrophobicContact CZ-CG2 4.24Å; F213-L258 HydrophobicContact CB-CD1 4.43Å; F213-L258 HydrophobicContact CB-CD2 4.4Å; F213-L258 HydrophobicContact CD1-CD1 3.75Å; F213-L258 HydrophobicContact CD1-CD2 3.75Å; F213-L258 HydrophobicContact CD1-CG 3.6Å; F213-L258 HydrophobicContact CD2-CD2 3.86Å; F213-L258 HydrophobicContact CE1-CD1 4.31Å; F213-L258 HydrophobicContact CE1-CD2 3.91Å; F213-L258 HydrophobicContact CE1-CG 3.69Å; F213-L258 HydrophobicContact CE2-CD2 4.01Å; F213-L258 HydrophobicContact CG-CD1 4.19Å; F213-L258 HydrophobicContact CG-CD2 3.73Å; F213-L258 HydrophobicContact CG-CG 4.1Å; F213-L258 HydrophobicContact CZ-CD2 4.04Å; F213-L258 HydrophobicContact CZ-CG 4.24Å; F213-I265 HydrophobicContact CB-CD1 4.38Å; F213-I265 HydrophobicContact CD2-CD1 4.31Å; F213-I265 HydrophobicContact CD2-CG2 4.49Å; F213-A268 HydrophobicContact CD2-CB 4.5Å; F213-A268 HydrophobicContact CE2-CB 3.51Å; F213-A268 HydrophobicContact CZ-CB 3.62Å; F213-I269 HydrophobicContact CD2-CG1 4.05Å; F213-I269 HydrophobicContact CE2-CG1 3.79Å; F213-L272 HydrophobicContact CE1-CD1 4.05Å; F213-L272 HydrophobicContact CE2-CD1 3.92Å; F213-L272 HydrophobicContact CZ-CD1 3.46Å; F213-L272 VanDerWaalsContact CZ-CD1 3.46Å; F213-L272 HydrophobicContact CZ-CG 4.05Å
214L98.6Very high97.3Very high26 Ų2660.6 Ų60.614%0.13632%0.321CS..Hα-helixtrans-67.2-27.2174.4-65.8-179.2000112.8I210 D211 R218 L251 A254 M255I210-L214 HydrophobicContact CG2-CD1 4.31Å; I210-L214 HydrophobicContact CG2-CG 4.45Å; I210-L214 WeakPolarHBondContact O-CG 3.39Å; I210-L214 PolarHBondContact O-N 3.05Å; D211-L214 PolarHBondContact O-N 3.06Å; L214-R218 VanDerWaalsContact O-CG 3.25Å; L214-R218 WeakPolarHBondContact O-CG 3.39Å; L214-R218 PolarHBondContact O-N 2.61Å; L214-R218 PolarHBondContact O-NE 3.22Å; L214-L251 HydrophobicContact CB-CD2 4.29Å; L214-L251 HydrophobicContact CD2-CD2 4.15Å; L214-A254 HydrophobicContact CD2-CB 3.62Å; L214-M255 HydrophobicContact CD1-SD 4.27Å; L214-M255 HydrophobicContact CD2-CG 4.2Å; L214-M255 HydrophobicContact CD2-SD 4.04Å; L214-M255 HydrophobicContact CG-SD 4.45Å
215V98.4Very high97Very high73 Ų7356.2 Ų56.244%0.44229%0.291SS..Hα-helixtrans-69.4-48.6167.5170.80000110.3D211 Q212 F213 A217 R218 S219D211-V215 WeakPolarHBondContact O-CG2 3.48Å; D211-V215 PolarHBondContact O-N 3.04Å; Q212-V215 PolarHBondContact O-N 2.99Å; F213-V215 VanDerWaalsContact C-N 3.3Å; F213-V215 PolarHBondContact O-N 2.77Å; V215-A217 PolarHBondContact O-N 3.03Å; V215-R218 PolarHBondContact O-N 3.34Å; V215-S219 PolarHBondContact O-N 3.42Å; V215-S219 PolarHBondContact O-OG 3.34Å
216V98.2Very high96.5Very high52 Ų5258.5 Ų58.532%0.31531%0.313SS..Hα-helixtrans-58.5-46.2178.11710000111.6Q212 F213 R218 S219 V220 I269Q212-V216 WeakPolarHBondContact O-CG2 3.18Å; Q212-V216 PolarHBondContact O-N 2.89Å; F213-V216 PolarHBondContact O-N 2.64Å; V216-R218 VanDerWaalsContact C-N 3.33Å; V216-R218 PolarHBondContact O-N 3.32Å; V216-S219 WeakPolarHBondContact O-CB 3.45Å; V216-S219 PolarHBondContact O-N 3.08Å; V216-S219 VanDerWaalsContact O-N 3.12Å; V216-V220 HydrophobicContact CG1-CG2 4.36Å; V216-V220 WeakPolarHBondContact O-CG2 3.24Å; V216-V220 PolarHBondContact O-N 2.72Å; V216-I269 HydrophobicContact CG1-CG1 4.35Å
217A98.2Very high95.9Very high5 Ų559.3 Ų59.34%0.04131%0.314CS..Hα-helixtrans-60.2-40.5178.300000112.6F213 V215 V220 G221 A254 L272F213-A217 WeakPolarHBondContact O-CB 3.27Å; F213-A217 PolarHBondContact O-N 3.22Å; V215-A217 PolarHBondContact O-N 3.03Å; A217-V220 PolarHBondContact O-N 3.23Å; A217-G221 PolarHBondContact O-N 3.06Å; A217-A254 HydrophobicContact CB-CB 3.55Å; A217-L272 HydrophobicContact CB-CD1 3.9Å
218R97.9Very high94.9Very high86 Ų8654.8 Ų54.833%0.32529%0.29SS..Hα-helixtrans-67.4-37.4173.8-71.1-176.3-74.2161.7-7.4112.5L214 V215 V216 G221 T222 A245 S246 L251L214-R218 VanDerWaalsContact O-CG 3.25Å; L214-R218 WeakPolarHBondContact O-CG 3.39Å; L214-R218 PolarHBondContact O-N 2.61Å; L214-R218 PolarHBondContact O-NE 3.22Å; V215-R218 PolarHBondContact O-N 3.34Å; V216-R218 VanDerWaalsContact C-N 3.33Å; V216-R218 PolarHBondContact O-N 3.32Å; R218-G221 PolarHBondContact O-N 2.93Å; R218-T222 WeakPolarHBondContact O-CB 3.42Å; R218-T222 PolarHBondContact O-N 3.03Å; R218-T222 PolarHBondContact O-OG1 3.12Å; R218-A245 WeakPolarHBondContact CG-O 3.46Å; R218-S246 WeakPolarHBondContact CD-OG 3.48Å; R218-L251 HydrophobicContact CG-CD2 4.07Å
219S97.4Very high93.2Very high72 Ų7253.3 Ų53.350%0.50330%0.296SS..Hα-helixtrans-63-45.6172.9-61.40000111.8V215 V216 T222 F223V215-S219 PolarHBondContact O-N 3.42Å; V215-S219 PolarHBondContact O-OG 3.34Å; V216-S219 WeakPolarHBondContact O-CB 3.45Å; V216-S219 PolarHBondContact O-N 3.08Å; V216-S219 VanDerWaalsContact O-N 3.12Å; S219-T222 PolarHBondContact O-N 2.9Å; S219-F223 WeakPolarHBondContact O-CB 3.08Å; S219-F223 PolarHBondContact O-N 3.26Å
220V96.8Very high91.4Very high20 Ų2053.9 Ų53.912%0.12131%0.308CS..Hα-helixtrans-59.7-49.4174.6172.80000110.6V216 A217 T222 F223 A224 L272 V273 P278 V279V216-V220 HydrophobicContact CG1-CG2 4.36Å; V216-V220 WeakPolarHBondContact O-CG2 3.24Å; V216-V220 PolarHBondContact O-N 2.72Å; A217-V220 PolarHBondContact O-N 3.23Å; V220-T222 VanDerWaalsContact C-N 3.27Å; V220-T222 PolarHBondContact O-N 2.96Å; V220-F223 PolarHBondContact O-N 3.31Å; V220-F223 VanDerWaalsContact O-N 3.16Å; V220-A224 WeakPolarHBondContact O-CB 3.18Å; V220-A224 PolarHBondContact O-N 2.82Å; V220-L272 HydrophobicContact CG1-CB 4.4Å; V220-L272 WeakPolarHBondContact CG1-O 3.29Å; V220-V273 HydrophobicContact CG1-CG2 4.26Å; V220-V273 HydrophobicContact CG2-CG2 4.18Å; V220-P278 HydrophobicContact CG1-CB 3.6Å; V220-V279 HydrophobicContact CG1-CG2 4.47Å
221G94.9Very high89.2Confident3 Ų355.2 Ų55.23%0.03132%0.319CS..Hα-helixtrans-64.2-27.9178.100000114.2A217 R218 R225A217-G221 PolarHBondContact O-N 3.06Å; R218-G221 PolarHBondContact O-N 2.93Å; G221-R225 WeakPolarHBondContact O-CD 3.38Å; G221-R225 WeakPolarHBondContact O-CG 3.4Å; G221-R225 PolarHBondContact O-N 3.13Å; G221-R225 PolarHBondContact O-NH1 3.46Å
222T94.4Very high86.6Confident26 Ų2654.9 Ų54.916%0.1632%0.324CS..Hα-helixtrans-73.5-43.2173-55.30000110.7R218 S219 V220 R225 A226 L238 A242 A245R218-T222 WeakPolarHBondContact O-CB 3.42Å; R218-T222 PolarHBondContact O-N 3.03Å; R218-T222 PolarHBondContact O-OG1 3.12Å; S219-T222 PolarHBondContact O-N 2.9Å; V220-T222 VanDerWaalsContact C-N 3.27Å; V220-T222 PolarHBondContact O-N 2.96Å; T222-R225 PolarHBondContact O-N 3.32Å; T222-A226 PolarHBondContact O-N 2.83Å; T222-L238 HydrophobicContact CG2-CD1 4.45Å; T222-A242 HydrophobicContact CG2-CB 4.21Å; T222-A245 WeakPolarHBondContact OG1-CB 3.39Å
223F93.6Very high84.2Confident122 Ų12255.9 Ų55.954%0.53534%0.338SS..Hα-helixtrans-66.9-40.5178.1-177.6-117.7000112S219 V220 R225 A226 L227 P278S219-F223 WeakPolarHBondContact O-CB 3.08Å; S219-F223 PolarHBondContact O-N 3.26Å; V220-F223 PolarHBondContact O-N 3.31Å; V220-F223 VanDerWaalsContact O-N 3.16Å; F223-R225 VanDerWaalsContact C-N 3.31Å; F223-R225 PolarHBondContact O-N 3.26Å; F223-A226 WeakPolarHBondContact O-CB 3.2Å; F223-A226 PolarHBondContact O-N 3.44Å; F223-L227 HydrophobicContact CD1-CD1 4.19Å; F223-L227 HydrophobicContact CE1-CD1 3.67Å; F223-L227 HydrophobicContact CE1-CG 4.41Å; F223-L227 HydrophobicContact CE2-CD2 4.43Å; F223-L227 HydrophobicContact CE2-CG 4.45Å; F223-L227 HydrophobicContact CZ-CD1 3.85Å; F223-L227 HydrophobicContact CZ-CD2 4.31Å; F223-L227 HydrophobicContact CZ-CG 4.26Å; F223-L227 PolarHBondContact O-N 3.25Å; F223-P278 HydrophobicContact CD1-CB 4.4Å; F223-P278 HydrophobicContact CD1-CG 4.03Å; F223-P278 HydrophobicContact CE1-CG 4.46Å
224A92.8Very high82Confident5 Ų564.8 Ų64.84%0.04137%0.371CS..Hα-helixtrans-56.4-44.3174.900000112.2V220 A226 L227 D228 P278 V279 L280V220-A224 WeakPolarHBondContact O-CB 3.18Å; V220-A224 PolarHBondContact O-N 2.82Å; A224-A226 VanDerWaalsContact C-N 3.26Å; A224-A226 PolarHBondContact O-N 2.95Å; A224-L227 PolarHBondContact O-N 3.18Å; A224-L227 VanDerWaalsContact O-N 3.1Å; A224-D228 PolarHBondContact O-N 3.01Å; A224-P278 HydrophobicContact CB-CB 3.97Å; A224-P278 HydrophobicContact CB-CG 3.77Å; A224-V279 WeakPolarHBondContact CB-O 3.32Å; A224-L280 HydrophobicContact CB-CB 4Å; A224-L280 HydrophobicContact CB-CD1 3.94Å; A224-L280 HydrophobicContact CB-CG 4.44Å
225R89.9Confident80Confident13 Ų1371.3 Ų71.35%0.04940%0.401CS..Hα-helixtrans-65.5-25.7176-70.9166.7172.180.6-2.9113.4G221 T222 F223 L280 C281 E286G221-R225 WeakPolarHBondContact O-CD 3.38Å; G221-R225 WeakPolarHBondContact O-CG 3.4Å; G221-R225 PolarHBondContact O-N 3.13Å; G221-R225 PolarHBondContact O-NH1 3.46Å; T222-R225 PolarHBondContact O-N 3.32Å; F223-R225 VanDerWaalsContact C-N 3.31Å; F223-R225 PolarHBondContact O-N 3.26Å; R225-L280 HydrophobicContact CG-CD1 3.87Å; R225-C281 PolarHBondContact NH2-O 3.37Å; R225-E286 IonicContact CZ-OE1 3.5Å; R225-E286 IonicContact CZ-OE2 2.66Å; R225-E286 IonicContact NE-OE1 3.12Å; R225-E286 PolarHBondContact NE-OE1 3Å; R225-E286 IonicContact NE-OE2 3.08Å; R225-E286 PolarHBondContact NE-OE2 3.36Å; R225-E286 IonicContact NH2-OE1 3.17Å; R225-E286 PolarHBondContact NH2-OE1 2.92Å; R225-E286 IonicContact NH2-OE2 3.01Å; R225-E286 PolarHBondContact NH2-OE2 2.89Å
226A87.8Confident78.4Confident69 Ų6970.6 Ų70.657%0.5740%0.398SS*.Hα-helixtrans-78.8-21.1174.100000113T222 F223 A224T222-A226 PolarHBondContact O-N 2.83Å; F223-A226 WeakPolarHBondContact O-CB 3.2Å; F223-A226 PolarHBondContact O-N 3.44Å; A224-A226 VanDerWaalsContact C-N 3.26Å; A224-A226 PolarHBondContact O-N 2.95Å
227L86.6Confident77.5Confident97 Ų9771.6 Ų71.651%0.50841%0.407SS..Hα-helixtrans-92.5-14.4173.8-60.9-178.4000113.4F223 A224 C229 P278F223-L227 HydrophobicContact CD1-CD1 4.19Å; F223-L227 HydrophobicContact CE1-CD1 3.67Å; F223-L227 HydrophobicContact CE1-CG 4.41Å; F223-L227 HydrophobicContact CE2-CD2 4.43Å; F223-L227 HydrophobicContact CE2-CG 4.45Å; F223-L227 HydrophobicContact CZ-CD1 3.85Å; F223-L227 HydrophobicContact CZ-CD2 4.31Å; F223-L227 HydrophobicContact CZ-CG 4.26Å; F223-L227 PolarHBondContact O-N 3.25Å; A224-L227 PolarHBondContact O-N 3.18Å; A224-L227 VanDerWaalsContact O-N 3.1Å; L227-C229 PolarHBondContact O-N 2.93Å; L227-P278 HydrophobicContact CD1-CG 4.12Å
228D77.9Confident77Confident35 Ų3578 Ų7819%0.18744%0.44CS..  trans-74.488.7-179.3176.830.8000112.9A224 S230 S231 L280 R282A224-D228 PolarHBondContact O-N 3.01Å; D228-S230 VanDerWaalsContact CG-OG 3.23Å; D228-S230 PolarHBondContact O-N 2.79Å; D228-S230 WeakPolarHBondContact OD1-CB 3.36Å; D228-S230 PolarHBondContact OD1-N 2.98Å; D228-S230 PolarHBondContact OD1-OG 2.96Å; D228-S230 PolarHBondContact OD2-OG 2.89Å; D228-S230 VanDerWaalsContact OD2-OG 3.06Å; D228-S231 PolarHBondContact O-N 3.07Å; D228-S231 PolarHBondContact OD2-OG 3.27Å; D228-L280 HydrophobicContact CB-CD1 4.27Å; D228-R282 IonicContact OD2-NH1 3.14Å
229C62.5Low76.6Confident112 Ų11280.9 Ų80.976%0.75746%0.457SS*.G310 helixtrans-65.4-11.3172.5-670000114.5L227 S231L227-C229 PolarHBondContact O-N 2.93Å; C229-S231 VanDerWaalsContact C-N 3.27Å; C229-S231 PolarHBondContact O-N 3.35Å
230S59.3Low76.1Confident85 Ų8582.9 Ų82.959%0.59446%0.459SS*.G310 helixtrans-67.8-31.1175.879.30000111.8D228 S232D228-S230 VanDerWaalsContact CG-OG 3.23Å; D228-S230 PolarHBondContact O-N 2.79Å; D228-S230 WeakPolarHBondContact OD1-CB 3.36Å; D228-S230 PolarHBondContact OD1-N 2.98Å; D228-S230 PolarHBondContact OD1-OG 2.96Å; D228-S230 PolarHBondContact OD2-OG 2.89Å; D228-S230 VanDerWaalsContact OD2-OG 3.06Å; S230-S232 PolarHBondContact O-N 3.22Å
231S53.2Low75.8Confident45 Ų4582.3 Ų82.332%0.31546%0.457SS..G310 helixtrans-72.721.7177.8-66.50000114.9D228 C229 V233 R234D228-S231 PolarHBondContact O-N 3.07Å; D228-S231 PolarHBondContact OD2-OG 3.27Å; C229-S231 VanDerWaalsContact C-N 3.27Å; C229-S231 PolarHBondContact O-N 3.35Å; S231-V233 PolarHBondContact O-N 2.79Å; S231-R234 CarbonylContact O-C 3.59Å; S231-R234 VanDerWaalsContact O-C 3.32Å; S231-R234 PolarHBondContact O-N 3.23Å; S231-R234 VanDerWaalsContact O-N 3.07Å
232S44.3Very low75.8Confident95 Ų9583.9 Ų83.966%0.66447%0.469SS*.THydrogen-bonded Turntrans-55.8-18.7-174.658.80000116.5S230 R234S230-S232 PolarHBondContact O-N 3.22Å; S232-R234 VanDerWaalsContact C-N 3.35Å
233V47.2Very low75.7Confident129 Ų12984.8 Ų84.878%0.78248%0.479SS*.THydrogen-bonded Turntrans-72.6-26.6177.7178.80000112.4S231S231-V233 PolarHBondContact O-N 2.79Å
234R52.8Low75.6Confident191 Ų19179.7 Ų79.772%0.72146%0.46SS*.  trans-150.3102.6171.1-70.5-173.5-178.8165.82.1109.9S231 S232 P236S231-R234 CarbonylContact O-C 3.59Å; S231-R234 VanDerWaalsContact O-C 3.32Å; S231-R234 PolarHBondContact O-N 3.23Å; S231-R234 VanDerWaalsContact O-N 3.07Å; S232-R234 VanDerWaalsContact C-N 3.35Å; R234-P236 WeakPolarHBondContact O-CD 3.39Å; R234-P236 VanDerWaalsContact O-N 3.09Å
235Q55.4Low75.7Confident163 Ų16379.4 Ų79.476%0.76246%0.458SS*.  trans-55.9111.4155.4-76.2-93.9-66.500107.8
236P65.1Low76.1Confident57 Ų5781 Ų8137%0.3747%0.47SS..  trans-72146.4178.5-7.124.3000108.5R234 M240 S241R234-P236 WeakPolarHBondContact O-CD 3.39Å; R234-P236 VanDerWaalsContact O-N 3.09Å; P236-M240 HydrophobicContact CB-CB 3.88Å; P236-S241 WeakPolarHBondContact CB-OG 3.31Å
237S80.3Confident76.5Confident74 Ų7481 Ų8152%0.51746%0.455SS..  trans-62.3153170.468.20000109.7H239 M240 S241S237-H239 PolarHBondContact O-N 3.01Å; S237-M240 WeakPolarHBondContact O-CA 3.27Å; S237-M240 WeakPolarHBondContact O-CB 3.33Å; S237-M240 PolarHBondContact O-N 2.87Å; S237-M240 WeakPolarHBondContact OG-CG 3.12Å; S237-S241 PolarHBondContact O-N 3.16Å
238L87.6Confident77Confident139 Ų13981.5 Ų81.573%0.72846%0.459SS*.Hα-helixtrans-49.8-39.1-178178.961.3000112.7T222 S241 A242T222-L238 HydrophobicContact CG2-CD1 4.45Å; L238-S241 PolarHBondContact O-N 3.23Å; L238-A242 VanDerWaalsContact O-CB 3.31Å; L238-A242 WeakPolarHBondContact O-CB 3.32Å; L238-A242 PolarHBondContact O-N 3.04Å
239H88.8Confident78Confident147 Ų14782.6 Ų82.668%0.68146%0.464SS*.Hα-helixtrans-64.7-39.4175.1-173.8-76.3000113S237 A243S237-H239 PolarHBondContact O-N 3.01Å; H239-A243 WeakPolarHBondContact O-CB 3.43Å; H239-A243 PolarHBondContact O-N 3.4Å
240M87.9Confident79.7Confident113 Ų11377.6 Ų77.656%0.55743%0.43SS*.Hα-helixtrans-67.7-43.8175.9-68.7-61.1-62.300111.6P236 S237 A242 A243 A244P236-M240 HydrophobicContact CB-CB 3.88Å; S237-M240 WeakPolarHBondContact O-CA 3.27Å; S237-M240 WeakPolarHBondContact O-CB 3.33Å; S237-M240 PolarHBondContact O-N 2.87Å; S237-M240 WeakPolarHBondContact OG-CG 3.12Å; M240-A242 PolarHBondContact O-N 3.07Å; M240-A243 PolarHBondContact O-N 3.45Å; M240-A244 VanDerWaalsContact O-CB 3.29Å; M240-A244 WeakPolarHBondContact O-CB 3.37Å; M240-A244 PolarHBondContact O-N 3.04Å
241S90.5Very high81.5Confident9 Ų975.7 Ų75.76%0.06341%0.413CS..Hα-helixtrans-63.2-40.9176.2-59.70000112.2P236 S237 L238 A245P236-S241 WeakPolarHBondContact CB-OG 3.31Å; S237-S241 PolarHBondContact O-N 3.16Å; L238-S241 PolarHBondContact O-N 3.23Å; S241-A245 WeakPolarHBondContact O-CB 3.35Å; S241-A245 PolarHBondContact O-N 2.78Å
242A93.3Very high83.7Confident35 Ų3580.3 Ų80.329%0.28943%0.428SS..Hα-helixtrans-69-37.7176.400000112.7T222 L238 M240 S246T222-A242 HydrophobicContact CG2-CB 4.21Å; L238-A242 VanDerWaalsContact O-CB 3.31Å; L238-A242 WeakPolarHBondContact O-CB 3.32Å; L238-A242 PolarHBondContact O-N 3.04Å; M240-A242 PolarHBondContact O-N 3.07Å; A242-S246 VanDerWaalsContact O-CB 3.32Å; A242-S246 WeakPolarHBondContact O-CB 3.44Å; A242-S246 PolarHBondContact O-N 3.36Å; A242-S246 PolarHBondContact O-OG 2.86Å
243A92.9Very high86.2Confident45 Ų4578.9 Ų78.937%0.37241%0.411SS..Hα-helixtrans-66.9-42.2174.200000111.7H239 M240 S246 R247H239-A243 WeakPolarHBondContact O-CB 3.43Å; H239-A243 PolarHBondContact O-N 3.4Å; M240-A243 PolarHBondContact O-N 3.45Å; A243-S246 WeakPolarHBondContact O-CB 3.35Å; A243-S246 PolarHBondContact O-N 3.06Å; A243-S246 VanDerWaalsContact O-N 3.14Å; A243-R247 PolarHBondContact O-N 2.81Å
244A92.1Very high88.7Confident15 Ų1572.8 Ų72.812%0.12437%0.373CS..Hα-helixtrans-63.2-47.5175.800000112M240 S246 R247M240-A244 VanDerWaalsContact O-CB 3.29Å; M240-A244 WeakPolarHBondContact O-CB 3.37Å; M240-A244 PolarHBondContact O-N 3.04Å; A244-S246 PolarHBondContact O-N 2.85Å; A244-R247 VanDerWaalsContact O-CB 3.31Å; A244-R247 WeakPolarHBondContact O-CB 3.1Å; A244-R247 VanDerWaalsContact O-CG 3.28Å; A244-R247 WeakPolarHBondContact O-CG 3.12Å; A244-R247 PolarHBondContact O-N 3.05Å; A244-R247 VanDerWaalsContact O-N 3.1Å
245A95.3Very high90.9Very high0 Ų066.1 Ų66.10%035%0.351CS..Hα-helixtrans-64.1-19.317300000113.6R218 T222 S241 R247 T250R218-A245 WeakPolarHBondContact CG-O 3.46Å; T222-A245 WeakPolarHBondContact OG1-CB 3.39Å; S241-A245 WeakPolarHBondContact O-CB 3.35Å; S241-A245 PolarHBondContact O-N 2.78Å; A245-R247 VanDerWaalsContact C-N 3.35Å; A245-T250 VanDerWaalsContact O-CB 3.26Å; A245-T250 WeakPolarHBondContact O-CB 3.15Å; A245-T250 WeakPolarHBondContact O-CG2 3.31Å; A245-T250 PolarHBondContact O-OG1 3Å
246S97.2Very high92.9Very high45 Ų4560.3 Ų60.332%0.31533%0.325SS..THydrogen-bonded Turntrans-872.6175-60.10000114.3R218 A242 A243 A244R218-S246 WeakPolarHBondContact CD-OG 3.48Å; A242-S246 VanDerWaalsContact O-CB 3.32Å; A242-S246 WeakPolarHBondContact O-CB 3.44Å; A242-S246 PolarHBondContact O-N 3.36Å; A242-S246 PolarHBondContact O-OG 2.86Å; A243-S246 WeakPolarHBondContact O-CB 3.35Å; A243-S246 PolarHBondContact O-N 3.06Å; A243-S246 VanDerWaalsContact O-N 3.14Å; A244-S246 PolarHBondContact O-N 2.85Å
247R96.3Very high94.5Very high69 Ų6958.1 Ų58.126%0.2631%0.311SS..SBendtrans-72.9152177.3-65.5174.461.871.67111.7A243 A244 A245 I249 T250 D283 M329A243-R247 PolarHBondContact O-N 2.81Å; A244-R247 VanDerWaalsContact O-CB 3.31Å; A244-R247 WeakPolarHBondContact O-CB 3.1Å; A244-R247 VanDerWaalsContact O-CG 3.28Å; A244-R247 WeakPolarHBondContact O-CG 3.12Å; A244-R247 PolarHBondContact O-N 3.05Å; A244-R247 VanDerWaalsContact O-N 3.1Å; A245-R247 VanDerWaalsContact C-N 3.35Å; R247-I249 PolarHBondContact O-N 3.12Å; R247-T250 PolarHBondContact O-N 2.75Å; R247-D283 IonicContact CZ-OD1 2.72Å; R247-D283 IonicContact CZ-OD2 3.15Å; R247-D283 VanDerWaalsContact NE-CG 3.35Å; R247-D283 IonicContact NE-OD1 2.59Å; R247-D283 PolarHBondContact NE-OD1 2.91Å; R247-D283 VanDerWaalsContact NE-OD1 3.08Å; R247-D283 IonicContact NE-OD2 2.73Å; R247-D283 PolarHBondContact NE-OD2 3.1Å; R247-D283 IonicContact NH2-OD1 2.72Å; R247-D283 PolarHBondContact NH2-OD1 2.81Å; R247-D283 VanDerWaalsContact NH2-OD1 3.14Å; R247-D283 IonicContact NH2-OD2 2.56Å; R247-D283 PolarHBondContact NH2-OD2 3.14Å; R247-M329 PolarHBondContact NH2-SD 3.47Å
248D98.1Very high95.4Very high108 Ų10854.6 Ų54.658%0.57829%0.286SS*.Hα-helixtrans-55.6-32.7-168.7-55.5-48.9000113.9T250 L251 F252D248-T250 PolarHBondContact O-N 2.89Å; D248-L251 CarbonylContact O-C 3.58Å; D248-L251 WeakPolarHBondContact O-CA 3.36Å; D248-L251 WeakPolarHBondContact O-CB 3.25Å; D248-L251 PolarHBondContact O-N 2.86Å; D248-F252 HydrophobicContact CB-CD2 4.11Å; D248-F252 HydrophobicContact CB-CE2 4.02Å; D248-F252 VanDerWaalsContact O-CD2 3.23Å; D248-F252 WeakPolarHBondContact O-CD2 3.34Å; D248-F252 PolarHBondContact O-N 3.34Å
249I97.8Very high95.9Very high59 Ų5950 Ų5030%0.30326%0.261SS..Hα-helixtrans-57.8-35.5176-170.4163.8000113.2R247 H253 C281 R282 D283R247-I249 PolarHBondContact O-N 3.12Å; I249-H253 VanDerWaalsContact O-CB 3.27Å; I249-H253 WeakPolarHBondContact O-CB 3.3Å; I249-H253 PolarHBondContact O-N 2.69Å; I249-C281 HydrophobicContact CG1-CB 4.46Å; I249-R282 WeakPolarHBondContact CD1-O 3.07Å; I249-D283 HydrophobicContact CB-CB 4.34Å; I249-D283 HydrophobicContact CD1-CB 4.01Å; I249-D283 HydrophobicContact CG2-CB 4.01Å
250T97.8Very high96.3Very high7 Ų749.4 Ų49.44%0.04326%0.256CS..Hα-helixtrans-74.2-33.9176.2-56.90000110.9A245 R247 D248 A254A245-T250 VanDerWaalsContact O-CB 3.26Å; A245-T250 WeakPolarHBondContact O-CB 3.15Å; A245-T250 WeakPolarHBondContact O-CG2 3.31Å; A245-T250 PolarHBondContact O-OG1 3Å; R247-T250 PolarHBondContact O-N 2.75Å; D248-T250 PolarHBondContact O-N 2.89Å; T250-A254 WeakPolarHBondContact O-CB 3.48Å; T250-A254 PolarHBondContact O-N 2.93Å
251L98.2Very high96.8Very high45 Ų4545.1 Ų45.124%0.23624%0.236CC..Hα-helixtrans-71.3-46.5176.9-59.6177.8000111.5L214 R218 D248 A254 M255L214-L251 HydrophobicContact CB-CD2 4.29Å; L214-L251 HydrophobicContact CD2-CD2 4.15Å; R218-L251 HydrophobicContact CG-CD2 4.07Å; D248-L251 CarbonylContact O-C 3.58Å; D248-L251 WeakPolarHBondContact O-CA 3.36Å; D248-L251 WeakPolarHBondContact O-CB 3.25Å; D248-L251 PolarHBondContact O-N 2.86Å; L251-A254 WeakPolarHBondContact O-CB 3.23Å; L251-A254 PolarHBondContact O-N 2.81Å; L251-M255 WeakPolarHBondContact O-CG 3.33Å; L251-M255 PolarHBondContact O-N 3.31Å
252F98.3Very high97.2Very high141 Ų14151.2 Ų51.262%0.61827%0.266SS*.Hα-helixtrans-59.7-45.9173-76.8-63.1000111.2D248 A254 M255 D256D248-F252 HydrophobicContact CB-CD2 4.11Å; D248-F252 HydrophobicContact CB-CE2 4.02Å; D248-F252 VanDerWaalsContact O-CD2 3.23Å; D248-F252 WeakPolarHBondContact O-CD2 3.34Å; D248-F252 PolarHBondContact O-N 3.34Å; F252-A254 VanDerWaalsContact C-N 3.26Å; F252-A254 PolarHBondContact O-N 2.83Å; F252-M255 PolarHBondContact O-N 2.92Å; F252-D256 WeakPolarHBondContact O-CB 3.17Å; F252-D256 PolarHBondContact O-N 2.96Å
253H98.4Very high97.4Very high66 Ų6650.4 Ų50.431%0.30626%0.256SS..Hα-helixtrans-58.9-36.9175.2-176.970.2000112.7I249 T257 C281I249-H253 VanDerWaalsContact O-CB 3.27Å; I249-H253 WeakPolarHBondContact O-CB 3.3Å; I249-H253 PolarHBondContact O-N 2.69Å; H253-T257 VanDerWaalsContact O-CB 3.26Å; H253-T257 WeakPolarHBondContact O-CB 3.27Å; H253-T257 PolarHBondContact O-N 3Å; H253-T257 PolarHBondContact O-OG1 2.98Å; H253-C281 PolarHBondContact CD2-SG 2.66Å; H253-C281 VanDerWaalsContact CG-SG 3.52Å
254A98.4Very high97.7Very high0 Ų052 Ų520%026%0.258CS..Hα-helixtrans-68.1-43.7175.300000112.6F213 L214 A217 T250 L251 F252 T257 L258F213-A254 HydrophobicContact CD1-CB 4.23Å; F213-A254 HydrophobicContact CE1-CB 3.89Å; F213-A254 WeakPolarHBondContact CE1-O 3.26Å; L214-A254 HydrophobicContact CD2-CB 3.62Å; A217-A254 HydrophobicContact CB-CB 3.55Å; T250-A254 WeakPolarHBondContact O-CB 3.48Å; T250-A254 PolarHBondContact O-N 2.93Å; L251-A254 WeakPolarHBondContact O-CB 3.23Å; L251-A254 PolarHBondContact O-N 2.81Å; F252-A254 VanDerWaalsContact C-N 3.26Å; F252-A254 PolarHBondContact O-N 2.83Å; A254-T257 WeakPolarHBondContact O-CB 3.43Å; A254-T257 PolarHBondContact O-N 2.73Å; A254-T257 VanDerWaalsContact O-N 3.12Å; A254-L258 PolarHBondContact O-N 2.94Å
255M98.5Very high97.9Very high52 Ų5253.6 Ų53.626%0.25626%0.264SS..Hα-helixtrans-63.5-44.7176.1-63.7-65.7-85.300111.6W199 I210 L214 L251 F252 T257 L258 H259W199-M255 HydrophobicContact CD2-CE 4.09Å; W199-M255 HydrophobicContact CE3-CB 4.03Å; W199-M255 HydrophobicContact CE3-CE 3.91Å; W199-M255 HydrophobicContact CE3-SD 4.47Å; W199-M255 HydrophobicContact CH2-CE 3.3Å; W199-M255 HydrophobicContact CH2-SD 3.72Å; W199-M255 HydrophobicContact CZ2-CE 3.52Å; W199-M255 HydrophobicContact CZ3-CB 3.91Å; W199-M255 HydrophobicContact CZ3-CE 3.51Å; W199-M255 HydrophobicContact CZ3-CG 4.4Å; W199-M255 WeakPolarHBondContact CZ3-O 3.39Å; W199-M255 HydrophobicContact CZ3-SD 3.7Å; I210-M255 HydrophobicContact CG2-CE 4.19Å; I210-M255 HydrophobicContact CG2-SD 3.75Å; L214-M255 HydrophobicContact CD1-SD 4.27Å; L214-M255 HydrophobicContact CD2-CG 4.2Å; L214-M255 HydrophobicContact CD2-SD 4.04Å; L214-M255 HydrophobicContact CG-SD 4.45Å; L251-M255 WeakPolarHBondContact O-CG 3.33Å; L251-M255 PolarHBondContact O-N 3.31Å; F252-M255 PolarHBondContact O-N 2.92Å; M255-T257 VanDerWaalsContact C-N 3.26Å; M255-T257 PolarHBondContact O-N 3.04Å; M255-L258 PolarHBondContact O-N 2.99Å; M255-L258 HydrophobicContact SD-CD1 4.48Å; M255-H259 PolarHBondContact O-N 3.11Å; M255-H259 VanDerWaalsContact O-N 3.08Å
256D98.4Very high98Very high41 Ų4157.6 Ų57.622%0.21929%0.292CS..Hα-helixtrans-53.9-42.9169.3-95.943.7000111.8V198 F252 H259 K260V198-D256 WeakPolarHBondContact CG1-OD1 3.47Å; F252-D256 WeakPolarHBondContact O-CB 3.17Å; F252-D256 PolarHBondContact O-N 2.96Å; D256-H259 PolarHBondContact O-N 2.81Å; D256-K260 HydrophobicContact CB-CD 4.42Å; D256-K260 VanDerWaalsContact O-CB 3.27Å; D256-K260 WeakPolarHBondContact O-CB 3.5Å; D256-K260 WeakPolarHBondContact O-CD 3.47Å; D256-K260 WeakPolarHBondContact O-CG 3.4Å; D256-K260 PolarHBondContact O-N 2.92Å; D256-K260 WeakPolarHBondContact OD2-CE 3.42Å; D256-K260 IonicContact OD2-NZ 2.63Å; D256-K260 PolarHBondContact OD2-NZ 3.01Å
257T98.5Very high98.1Very high10 Ų1060 Ų606%0.06130%0.297CS..Hα-helixtrans-70.1-34.1-177.3-63.70000112.1F213 H253 A254 M255 N261 A268 A271 L272F213-T257 HydrophobicContact CZ-CG2 4.24Å; H253-T257 VanDerWaalsContact O-CB 3.26Å; H253-T257 WeakPolarHBondContact O-CB 3.27Å; H253-T257 PolarHBondContact O-N 3Å; H253-T257 PolarHBondContact O-OG1 2.98Å; A254-T257 WeakPolarHBondContact O-CB 3.43Å; A254-T257 PolarHBondContact O-N 2.73Å; A254-T257 VanDerWaalsContact O-N 3.12Å; M255-T257 VanDerWaalsContact C-N 3.26Å; M255-T257 PolarHBondContact O-N 3.04Å; T257-N261 WeakPolarHBondContact O-CB 3.31Å; T257-N261 PolarHBondContact O-N 2.7Å; T257-N261 PolarHBondContact O-ND2 3.19Å; T257-A268 HydrophobicContact CG2-CB 4.23Å; T257-A271 HydrophobicContact CG2-CB 3.91Å; T257-L272 HydrophobicContact CG2-CD2 4.23Å; T257-L272 HydrophobicContact CG2-CG 4.31Å
258L98.6Very high98.1Very high0 Ų056.8 Ų56.80%029%0.285CS..Hα-helixtrans-63.6-51.7169.1-71.7174000111.1W199 L205 I210 F213 A254 M255 K260 N261 I262 Y263 I265 A268W199-L258 HydrophobicContact CH2-CD1 4.05Å; W199-L258 HydrophobicContact CZ3-CB 4.03Å; W199-L258 HydrophobicContact CZ3-CD1 4.15Å; L205-L258 HydrophobicContact CD1-CD1 4.35Å; L205-L258 HydrophobicContact CD1-CD2 4.13Å; I210-L258 HydrophobicContact CG2-CD1 4.31Å; F213-L258 HydrophobicContact CB-CD1 4.43Å; F213-L258 HydrophobicContact CB-CD2 4.4Å; F213-L258 HydrophobicContact CD1-CD1 3.75Å; F213-L258 HydrophobicContact CD1-CD2 3.75Å; F213-L258 HydrophobicContact CD1-CG 3.6Å; F213-L258 HydrophobicContact CD2-CD2 3.86Å; F213-L258 HydrophobicContact CE1-CD1 4.31Å; F213-L258 HydrophobicContact CE1-CD2 3.91Å; F213-L258 HydrophobicContact CE1-CG 3.69Å; F213-L258 HydrophobicContact CE2-CD2 4.01Å; F213-L258 HydrophobicContact CG-CD1 4.19Å; F213-L258 HydrophobicContact CG-CD2 3.73Å; F213-L258 HydrophobicContact CG-CG 4.1Å; F213-L258 HydrophobicContact CZ-CD2 4.04Å; F213-L258 HydrophobicContact CZ-CG 4.24Å; A254-L258 PolarHBondContact O-N 2.94Å; M255-L258 PolarHBondContact O-N 2.99Å; M255-L258 HydrophobicContact SD-CD1 4.48Å; L258-K260 PolarHBondContact O-N 2.66Å; L258-N261 CarbonylContact O-C 3.59Å; L258-N261 PolarHBondContact O-N 3.44Å; L258-I262 PolarHBondContact O-N 3.14Å; L258-Y263 HydrophobicContact CB-CD1 4.16Å; L258-Y263 HydrophobicContact CB-CE1 4.28Å; L258-Y263 PolarHBondContact O-N 3.4Å; L258-I265 HydrophobicContact CD2-CD1 3.72Å; L258-A268 HydrophobicContact CD2-CB 3.97Å
259H98.4Very high98.1Very high42 Ų4254.9 Ų54.919%0.19427%0.274CS..Hα-helixtrans-61.8-47.3-177.7-17368.9000112.2K197 V198 W199 M255 D256 N261 I262 Y263K197-H259 PolarHBondContact O-NE2 2.83Å; V198-H259 VanDerWaalsContact C-CD2 3.41Å; V198-H259 WeakPolarHBondContact O-CB 3.39Å; V198-H259 PolarHBondContact O-CD2 2.94Å; W199-H259 HydrophobicContact CE3-CB 4.43Å; M255-H259 PolarHBondContact O-N 3.11Å; M255-H259 VanDerWaalsContact O-N 3.08Å; D256-H259 PolarHBondContact O-N 2.81Å; H259-N261 PolarHBondContact O-N 3.27Å; H259-I262 PolarHBondContact O-N 2.98Å; H259-Y263 AromaticContact ND1-CE2 3.58Å; H259-Y263 AromaticContact ND1-CZ 3.55Å; H259-Y263 PolarHBondContact ND1-OH 3Å
260K98.2Very high98Very high135 Ų13555.7 Ų55.759%0.58729%0.285SS*.Hα-helixtrans-64.5-20.4178.8-69.7165.5-170.7170.40113.4D256 L258D256-K260 HydrophobicContact CB-CD 4.42Å; D256-K260 VanDerWaalsContact O-CB 3.27Å; D256-K260 WeakPolarHBondContact O-CB 3.5Å; D256-K260 WeakPolarHBondContact O-CD 3.47Å; D256-K260 WeakPolarHBondContact O-CG 3.4Å; D256-K260 PolarHBondContact O-N 2.92Å; D256-K260 WeakPolarHBondContact OD2-CE 3.42Å; D256-K260 IonicContact OD2-NZ 2.63Å; D256-K260 PolarHBondContact OD2-NZ 3.01Å; L258-K260 PolarHBondContact O-N 2.66Å
261N98.2Very high98Very high24 Ų2457.1 Ų57.113%0.12830%0.297CS..THydrogen-bonded Turntrans-10014.8173.3-72.1-68.4000113.8T257 L258 H259 Y263 D264 K267 A268T257-N261 WeakPolarHBondContact O-CB 3.31Å; T257-N261 PolarHBondContact O-N 2.7Å; T257-N261 PolarHBondContact O-ND2 3.19Å; L258-N261 CarbonylContact O-C 3.59Å; L258-N261 PolarHBondContact O-N 3.44Å; H259-N261 PolarHBondContact O-N 3.27Å; N261-Y263 PolarHBondContact O-N 2.82Å; N261-D264 PolarHBondContact O-N 3.35Å; N261-K267 HydrophobicContact CB-CB 4.36Å; N261-K267 HydrophobicContact CB-CD 4.09Å; N261-K267 HydrophobicContact CB-CG 4.25Å; N261-K267 WeakPolarHBondContact OD1-CD 3.49Å; N261-K267 VanDerWaalsContact OD1-CE 3.23Å; N261-K267 WeakPolarHBondContact OD1-CE 3.36Å; N261-K267 WeakPolarHBondContact OD1-CG 3.31Å; N261-A268 HydrophobicContact CB-CB 4.12Å
262I98Very high98Very high137 Ų13755 Ų5570%0.70329%0.286SS*.THydrogen-bonded Turntrans58.137.7177.7-34.3177.9000111.2L258 H259 D264L258-I262 PolarHBondContact O-N 3.14Å; H259-I262 PolarHBondContact O-N 2.98Å; I262-D264 PolarHBondContact O-N 2.88Å; I262-D264 VanDerWaalsContact O-N 3.12Å
263Y98.4Very high97.9Very high17 Ų1750.8 Ų50.87%0.06727%0.272CS..THydrogen-bonded Turntrans63.111.2178.5-58.8-81.4000116.2W199 E200 N203 L205 L258 H259 N261 I265W199-Y263 HydrophobicContact CD2-CE1 4.38Å; W199-Y263 HydrophobicContact CE3-CE1 4.02Å; W199-Y263 HydrophobicContact CH2-CD1 4.48Å; W199-Y263 AromaticContact CH2-CE1 3.66Å; W199-Y263 HydrophobicContact CH2-CE1 3.66Å; W199-Y263 HydrophobicContact CZ2-CE1 4.01Å; W199-Y263 AromaticContact CZ3-CE1 3.66Å; W199-Y263 HydrophobicContact CZ3-CE1 3.66Å; E200-Y263 HydrophobicContact CB-CE2 4.07Å; E200-Y263 PolarHBondContact N-OH 3.43Å; E200-Y263 PolarHBondContact O-OH 2.89Å; N203-Y263 HydrophobicContact CB-CD1 3.63Å; N203-Y263 HydrophobicContact CB-CD2 3.78Å; N203-Y263 HydrophobicContact CB-CE1 3.62Å; N203-Y263 HydrophobicContact CB-CE2 3.78Å; N203-Y263 HydrophobicContact CB-CG 3.72Å; L205-Y263 HydrophobicContact CD1-CD1 3.93Å; L205-Y263 HydrophobicContact CG-CD1 4.49Å; L258-Y263 HydrophobicContact CB-CD1 4.16Å; L258-Y263 HydrophobicContact CB-CE1 4.28Å; L258-Y263 PolarHBondContact O-N 3.4Å; H259-Y263 AromaticContact ND1-CE2 3.58Å; H259-Y263 AromaticContact ND1-CZ 3.55Å; H259-Y263 PolarHBondContact ND1-OH 3Å; N261-Y263 PolarHBondContact O-N 2.82Å; Y263-I265 PolarHBondContact O-N 3.48Å
264D98.3Very high97.6Very high78 Ų7850.8 Ų50.842%0.41728%0.278SS..  trans-71.4106.6167.4179.2-17.1000110.2N261 I262 S266 K267 A268N261-D264 PolarHBondContact O-N 3.35Å; I262-D264 PolarHBondContact O-N 2.88Å; I262-D264 VanDerWaalsContact O-N 3.12Å; D264-S266 VanDerWaalsContact C-N 3.3Å; D264-S266 PolarHBondContact O-N 3.21Å; D264-S266 WeakPolarHBondContact OD1-CA 3.26Å; D264-S266 VanDerWaalsContact OD1-CB 3.3Å; D264-S266 WeakPolarHBondContact OD1-CB 3.27Å; D264-S266 PolarHBondContact OD1-N 2.89Å; D264-K267 HydrophobicContact CB-CB 3.86Å; D264-K267 VanDerWaalsContact CG-CB 3.45Å; D264-K267 PolarHBondContact O-N 3.12Å; D264-K267 PolarHBondContact OD1-N 2.85Å; D264-K267 WeakPolarHBondContact OD2-CB 3.45Å; D264-A268 WeakPolarHBondContact O-CB 3.45Å; D264-A268 PolarHBondContact O-N 2.63Å
265I97.7Very high97.1Very high49 Ų4960.9 Ų60.925%0.25133%0.325SS..Hα-helixtrans-56.4-41.1177.1-61.6-63.2000112.2L205 F213 L258 Y263 A268 I269L205-I265 HydrophobicContact CD1-CD1 3.69Å; L205-I265 HydrophobicContact CD1-CG1 4.49Å; L205-I265 HydrophobicContact CD2-CD1 3.85Å; L205-I265 HydrophobicContact CD2-CG1 3.78Å; L205-I265 HydrophobicContact CG-CD1 4.43Å; F213-I265 HydrophobicContact CB-CD1 4.38Å; F213-I265 HydrophobicContact CD2-CD1 4.31Å; F213-I265 HydrophobicContact CD2-CG2 4.49Å; L258-I265 HydrophobicContact CD2-CD1 3.72Å; Y263-I265 PolarHBondContact O-N 3.48Å; I265-A268 PolarHBondContact O-N 3.1Å; I265-I269 HydrophobicContact CG2-CD1 3.77Å; I265-I269 HydrophobicContact CG2-CG1 4.35Å; I265-I269 WeakPolarHBondContact O-CB 3.29Å; I265-I269 VanDerWaalsContact O-CG1 3.25Å; I265-I269 WeakPolarHBondContact O-CG1 3.47Å; I265-I269 PolarHBondContact O-N 3.04Å
266S97.3Very high96.4Very high84 Ų8461.4 Ų61.459%0.58734%0.344SS*.Hα-helixtrans-68.4-45.5-175.7-171.40000110.8D264 I269 S270D264-S266 VanDerWaalsContact C-N 3.3Å; D264-S266 PolarHBondContact O-N 3.21Å; D264-S266 WeakPolarHBondContact OD1-CA 3.26Å; D264-S266 VanDerWaalsContact OD1-CB 3.3Å; D264-S266 WeakPolarHBondContact OD1-CB 3.27Å; D264-S266 PolarHBondContact OD1-N 2.89Å; S266-I269 PolarHBondContact O-N 3.37Å; S266-S270 PolarHBondContact O-N 3.08Å; S266-S270 PolarHBondContact O-OG 3.25Å
267K97.8Very high96Very high97 Ų9761.2 Ų61.242%0.42235%0.351SS..Hα-helixtrans-66.3-39.4174.6-166.7-172174.5-171.90112N261 D264 S270 A271N261-K267 HydrophobicContact CB-CB 4.36Å; N261-K267 HydrophobicContact CB-CD 4.09Å; N261-K267 HydrophobicContact CB-CG 4.25Å; N261-K267 WeakPolarHBondContact OD1-CD 3.49Å; N261-K267 VanDerWaalsContact OD1-CE 3.23Å; N261-K267 WeakPolarHBondContact OD1-CE 3.36Å; N261-K267 WeakPolarHBondContact OD1-CG 3.31Å; D264-K267 HydrophobicContact CB-CB 3.86Å; D264-K267 VanDerWaalsContact CG-CB 3.45Å; D264-K267 PolarHBondContact O-N 3.12Å; D264-K267 PolarHBondContact OD1-N 2.85Å; D264-K267 WeakPolarHBondContact OD2-CB 3.45Å; K267-S270 WeakPolarHBondContact O-CB 3.22Å; K267-S270 PolarHBondContact O-N 2.81Å; K267-A271 PolarHBondContact O-N 2.86Å
268A98.1Very high95.8Very high0 Ų062 Ų620%036%0.357CS..Hα-helixtrans-66.1-40.8176.300000112.6F213 T257 L258 N261 D264 I265 S270 A271 L272F213-A268 HydrophobicContact CD2-CB 4.5Å; F213-A268 HydrophobicContact CE2-CB 3.51Å; F213-A268 HydrophobicContact CZ-CB 3.62Å; T257-A268 HydrophobicContact CG2-CB 4.23Å; L258-A268 HydrophobicContact CD2-CB 3.97Å; N261-A268 HydrophobicContact CB-CB 4.12Å; D264-A268 WeakPolarHBondContact O-CB 3.45Å; D264-A268 PolarHBondContact O-N 2.63Å; I265-A268 PolarHBondContact O-N 3.1Å; A268-S270 VanDerWaalsContact C-N 3.31Å; A268-S270 PolarHBondContact O-N 3.5Å; A268-A271 WeakPolarHBondContact O-CB 3.45Å; A268-A271 PolarHBondContact O-N 3.41Å; A268-L272 PolarHBondContact O-N 3.3Å; A268-L272 VanDerWaalsContact O-N 3.16Å
269I97Very high95.5Very high68 Ų6863.9 Ų63.935%0.34937%0.368SS..Hα-helixtrans-62.8-40.8172.7-71.1170.6000110.2F213 V216 I265 S266 A271 L272 V273F213-I269 HydrophobicContact CD2-CG1 4.05Å; F213-I269 HydrophobicContact CE2-CG1 3.79Å; V216-I269 HydrophobicContact CG1-CG1 4.35Å; I265-I269 HydrophobicContact CG2-CD1 3.77Å; I265-I269 HydrophobicContact CG2-CG1 4.35Å; I265-I269 WeakPolarHBondContact O-CB 3.29Å; I265-I269 VanDerWaalsContact O-CG1 3.25Å; I265-I269 WeakPolarHBondContact O-CG1 3.47Å; I265-I269 PolarHBondContact O-N 3.04Å; S266-I269 PolarHBondContact O-N 3.37Å; I269-A271 VanDerWaalsContact C-N 3.25Å; I269-A271 PolarHBondContact O-N 3.18Å; I269-L272 WeakPolarHBondContact O-CB 3.49Å; I269-L272 PolarHBondContact O-N 2.99Å; I269-L272 VanDerWaalsContact O-N 3.08Å; I269-V273 PolarHBondContact O-N 3.46Å
270S96.5Very high95.2Very high77 Ų7764.9 Ų64.954%0.53837%0.374SS..Hα-helixtrans-62.8-32.3176.4-560000112.4S266 K267 A268 V273S266-S270 PolarHBondContact O-N 3.08Å; S266-S270 PolarHBondContact O-OG 3.25Å; K267-S270 WeakPolarHBondContact O-CB 3.22Å; K267-S270 PolarHBondContact O-N 2.81Å; A268-S270 VanDerWaalsContact C-N 3.31Å; A268-S270 PolarHBondContact O-N 3.5Å; S270-V273 CarbonylContact O-C 3.6Å; S270-V273 PolarHBondContact O-N 2.66Å
271A97.4Very high95.1Very high36 Ų3659.4 Ų59.430%0.29835%0.353SS..Hα-helixtrans-74.7-22.8174.100000113.9T257 K267 A268 I269 V273 P274T257-A271 HydrophobicContact CG2-CB 3.91Å; K267-A271 PolarHBondContact O-N 2.86Å; A268-A271 WeakPolarHBondContact O-CB 3.45Å; A268-A271 PolarHBondContact O-N 3.41Å; I269-A271 VanDerWaalsContact C-N 3.25Å; I269-A271 PolarHBondContact O-N 3.18Å; A271-V273 VanDerWaalsContact C-N 3.35Å; A271-P274 WeakPolarHBondContact O-CD 3.37Å; A271-P274 WeakPolarHBondContact O-CG 3.47Å
272L97.3Very high94.8Very high2 Ų261.6 Ų61.61%0.0136%0.359CS..Hα-helixtrans-78.8-15.2172.5-67.6176.7000113.4F213 A217 V220 T257 A268 I269 V279F213-L272 HydrophobicContact CE1-CD1 4.05Å; F213-L272 HydrophobicContact CE2-CD1 3.92Å; F213-L272 HydrophobicContact CZ-CD1 3.46Å; F213-L272 VanDerWaalsContact CZ-CD1 3.46Å; F213-L272 HydrophobicContact CZ-CG 4.05Å; A217-L272 HydrophobicContact CB-CD1 3.9Å; V220-L272 HydrophobicContact CG1-CB 4.4Å; V220-L272 WeakPolarHBondContact CG1-O 3.29Å; T257-L272 HydrophobicContact CG2-CD2 4.23Å; T257-L272 HydrophobicContact CG2-CG 4.31Å; A268-L272 PolarHBondContact O-N 3.3Å; A268-L272 VanDerWaalsContact O-N 3.16Å; I269-L272 WeakPolarHBondContact O-CB 3.49Å; I269-L272 PolarHBondContact O-N 2.99Å; I269-L272 VanDerWaalsContact O-N 3.08Å; L272-V279 HydrophobicContact CB-CG2 4.4Å; L272-V279 HydrophobicContact CD2-CG2 3.81Å; L272-V279 PolarHBondContact O-N 2.7Å
273V96.2Very high94.7Very high51 Ų5155.4 Ų55.431%0.30933%0.328SS..SBendtrans-131.559.9177.2-162.50000112.4V220 I269 S270 A271 Q275 G276 G277V220-V273 HydrophobicContact CG1-CG2 4.26Å; V220-V273 HydrophobicContact CG2-CG2 4.18Å; I269-V273 PolarHBondContact O-N 3.46Å; S270-V273 CarbonylContact O-C 3.6Å; S270-V273 PolarHBondContact O-N 2.66Å; A271-V273 VanDerWaalsContact C-N 3.35Å; V273-Q275 PolarHBondContact O-N 3.35Å; V273-G276 PolarHBondContact O-N 2.76Å; V273-G277 CarbonylContact C-O 3.57Å; V273-G277 VanDerWaalsContact C-O 3.27Å; V273-G277 VanDerWaalsContact CA-O 3.29Å; V273-G277 WeakPolarHBondContact CA-O 3.3Å
274P92.8Very high94.6Very high67 Ų6756.4 Ų56.444%0.43533%0.333SS..G310 helixtrans-57.7127.5-178.4-23.135000112.5A271 G276 G277 V279A271-P274 WeakPolarHBondContact O-CD 3.37Å; A271-P274 WeakPolarHBondContact O-CG 3.47Å; P274-G276 PolarHBondContact O-N 2.92Å; P274-G277 VanDerWaalsContact CD-O 3.29Å; P274-G277 WeakPolarHBondContact CD-O 3.26Å; P274-G277 PolarHBondContact O-N 3.18Å; P274-V279 HydrophobicContact CG-CG1 4.2Å
275Q87.4Confident94.3Very high212 Ų21255 Ų5599%0.99133%0.325SS*.G310 helixtrans55.820.8178.6-52.5-178.75.600114.5V273V273-Q275 PolarHBondContact O-N 3.35Å
276G84.1Confident94Very high63 Ų6355.6 Ų55.665%0.64933%0.326SS*.G310 helixtrans88.7-5-17600000115V273 P274V273-G276 PolarHBondContact O-N 2.76Å; P274-G276 PolarHBondContact O-N 2.92Å
277G90.3Very high93.7Very high37 Ų3755.9 Ų55.938%0.38132%0.318SS..PPolyproline II helixtrans-90.2126.7171.700000111.5V273 P274V273-G277 CarbonylContact C-O 3.57Å; V273-G277 VanDerWaalsContact C-O 3.27Å; V273-G277 VanDerWaalsContact CA-O 3.29Å; V273-G277 WeakPolarHBondContact CA-O 3.3Å; P274-G277 VanDerWaalsContact CD-O 3.29Å; P274-G277 WeakPolarHBondContact CD-O 3.26Å; P274-G277 PolarHBondContact O-N 3.18Å
278P94.1Very high93.5Very high27 Ų2752.1 Ų52.118%0.17530%0.301CS..PPolyproline II helixtrans-74.7142.7178.732.3-36.8000111.9V220 F223 A224 L227V220-P278 HydrophobicContact CG1-CB 3.6Å; F223-P278 HydrophobicContact CD1-CB 4.4Å; F223-P278 HydrophobicContact CD1-CG 4.03Å; F223-P278 HydrophobicContact CE1-CG 4.46Å; A224-P278 HydrophobicContact CB-CB 3.97Å; A224-P278 HydrophobicContact CB-CG 3.77Å; L227-P278 HydrophobicContact CD1-CG 4.12Å
279V93.3Very high93.2Very high38 Ų3854.2 Ų54.223%0.2332%0.316CS..PPolyproline II helixtrans-70.6145.6175.7-60.70000112.4V220 A224 L272 P274V220-V279 HydrophobicContact CG1-CG2 4.47Å; A224-V279 WeakPolarHBondContact CB-O 3.32Å; L272-V279 HydrophobicContact CB-CG2 4.4Å; L272-V279 HydrophobicContact CD2-CG2 3.81Å; L272-V279 PolarHBondContact O-N 2.7Å; P274-V279 HydrophobicContact CG-CG1 4.2Å
280L92.1Very high92.8Very high63 Ų6353.4 Ų53.433%0.3332%0.32SS..  trans-127.5109-179-175.1134.6000110A224 R225 D228 R282A224-L280 HydrophobicContact CB-CB 4Å; A224-L280 HydrophobicContact CB-CD1 3.94Å; A224-L280 HydrophobicContact CB-CG 4.44Å; R225-L280 HydrophobicContact CG-CD1 3.87Å; D228-L280 HydrophobicContact CB-CD1 4.27Å; L280-R282 HydrophobicContact CD2-CG 3.76Å
281C94.3Very high92.6Very high21 Ų2153.3 Ų53.314%0.14232%0.319CS..  trans-104.7117.1175.6-53.60000109.3R225 I249 H253R225-C281 PolarHBondContact NH2-O 3.37Å; I249-C281 HydrophobicContact CG1-CB 4.46Å; H253-C281 PolarHBondContact CD2-SG 2.66Å; H253-C281 VanDerWaalsContact CG-SG 3.52Å
282R93.6Very high92.6Very high70 Ų7052.8 Ų52.826%0.26431%0.31SS..  trans-114.4143.1169.3-63.2-172.9-62.5-144.22.3108.8D228 I249 L280 E286 E287D228-R282 IonicContact OD2-NH1 3.14Å; I249-R282 WeakPolarHBondContact CD1-O 3.07Å; L280-R282 HydrophobicContact CD2-CG 3.76Å; R282-E286 HydrophobicContact CB-CB 4.29Å; R282-E286 HydrophobicContact CG-CB 4.45Å; R282-E286 HydrophobicContact CG-CG 4.13Å; R282-E287 HydrophobicContact CB-CB 4.16Å; R282-E287 IonicContact CZ-OE1 3.96Å; R282-E287 VanDerWaalsContact CZ-OE1 3.27Å; R282-E287 IonicContact NE-OE1 2.76Å; R282-E287 PolarHBondContact NE-OE1 3.48Å; R282-E287 IonicContact NH2-OE1 2.92Å; R282-E287 PolarHBondContact NH2-OE1 3.11Å
283D95.2Very high92.4Very high6 Ų653.6 Ų53.63%0.03232%0.317CS..  trans-93.6171.4162.753.239.9000110.1R247 I249 M285 E286 E287 M329R247-D283 IonicContact CZ-OD1 2.72Å; R247-D283 IonicContact CZ-OD2 3.15Å; R247-D283 VanDerWaalsContact NE-CG 3.35Å; R247-D283 IonicContact NE-OD1 2.59Å; R247-D283 PolarHBondContact NE-OD1 2.91Å; R247-D283 VanDerWaalsContact NE-OD1 3.08Å; R247-D283 IonicContact NE-OD2 2.73Å; R247-D283 PolarHBondContact NE-OD2 3.1Å; R247-D283 IonicContact NH2-OD1 2.72Å; R247-D283 PolarHBondContact NH2-OD1 2.81Å; R247-D283 VanDerWaalsContact NH2-OD1 3.14Å; R247-D283 IonicContact NH2-OD2 2.56Å; R247-D283 PolarHBondContact NH2-OD2 3.14Å; I249-D283 HydrophobicContact CB-CB 4.34Å; I249-D283 HydrophobicContact CD1-CB 4.01Å; I249-D283 HydrophobicContact CG2-CB 4.01Å; D283-M285 PolarHBondContact O-N 2.91Å; D283-M285 VanDerWaalsContact O-N 3.11Å; D283-M285 WeakPolarHBondContact OD1-CB 3.46Å; D283-M285 PolarHBondContact OD1-N 3.25Å; D283-E286 PolarHBondContact O-N 3.16Å; D283-E287 WeakPolarHBondContact O-CB 3.39Å; D283-E287 PolarHBondContact O-N 3.18Å; D283-M329 HydrophobicContact CB-CE 3.81Å; D283-M329 HydrophobicContact CB-SD 3.92Å
284E95.5Very high92.4Very high38 Ų3855.4 Ų55.418%0.17833%0.325CS..Hα-helixtrans-56.9-31.4-175.5-65.5-73.7179.700112.1E286 E287 W288 K318 S322 E325 Y326E284-E286 VanDerWaalsContact C-N 3.27Å; E284-E286 PolarHBondContact O-N 3.4Å; E284-E287 PolarHBondContact O-N 3.49Å; E284-W288 PolarHBondContact O-N 2.94Å; E284-W288 VanDerWaalsContact OE2-CD1 3.23Å; E284-W288 PolarHBondContact OE2-NE1 3.32Å; E284-K318 IonicContact OE2-NZ 3.19Å; E284-K318 PolarHBondContact OE2-NZ 2.61Å; E284-K318 VanDerWaalsContact OE2-NZ 3.08Å; E284-S322 WeakPolarHBondContact OE1-CB 3.09Å; E284-E325 HydrophobicContact CG-CB 4.45Å; E284-Y326 HydrophobicContact CB-CD2 4.48Å; E284-Y326 WeakPolarHBondContact O-CD2 3.39Å
285M93.1Very high92.6Very high50 Ų5054.7 Ų54.725%0.24632%0.317CS..Hα-helixtrans-62.2-31.9177.5-17764-138.700113.6D283 Y326 M329 W330 T333D283-M285 PolarHBondContact O-N 2.91Å; D283-M285 VanDerWaalsContact O-N 3.11Å; D283-M285 WeakPolarHBondContact OD1-CB 3.46Å; D283-M285 PolarHBondContact OD1-N 3.25Å; M285-Y326 HydrophobicContact SD-CE2 4.09Å; M285-M329 HydrophobicContact CB-CB 3.67Å; M285-M329 HydrophobicContact CB-CG 4.32Å; M285-M329 HydrophobicContact CB-SD 3.71Å; M285-M329 HydrophobicContact CG-CB 4.02Å; M285-M329 HydrophobicContact SD-CB 4.25Å; M285-W330 HydrophobicContact SD-CB 4.11Å; M285-T333 HydrophobicContact CE-CG2 3.65Å; M285-T333 HydrophobicContact SD-CG2 4.25Å
286E91.2Very high93.1Very high60 Ų6044.6 Ų44.628%0.2827%0.27SS..Hα-helixtrans-94.9-32.1177-172.8-179-178.800112.8R225 R282 D283 E284R225-E286 IonicContact CZ-OE1 3.5Å; R225-E286 IonicContact CZ-OE2 2.66Å; R225-E286 IonicContact NE-OE1 3.12Å; R225-E286 PolarHBondContact NE-OE1 3Å; R225-E286 IonicContact NE-OE2 3.08Å; R225-E286 PolarHBondContact NE-OE2 3.36Å; R225-E286 IonicContact NH2-OE1 3.17Å; R225-E286 PolarHBondContact NH2-OE1 2.92Å; R225-E286 IonicContact NH2-OE2 3.01Å; R225-E286 PolarHBondContact NH2-OE2 2.89Å; R282-E286 HydrophobicContact CB-CB 4.29Å; R282-E286 HydrophobicContact CG-CB 4.45Å; R282-E286 HydrophobicContact CG-CG 4.13Å; D283-E286 PolarHBondContact O-N 3.16Å; E284-E286 VanDerWaalsContact C-N 3.27Å; E284-E286 PolarHBondContact O-N 3.4Å
287E91.6Very high93.6Very high90 Ų9043 Ų4342%0.42125%0.246SC..Hα-helixtrans-75.5-22.1-175.7-177146.4-82.400114.1R282 D283 E284R282-E287 HydrophobicContact CB-CB 4.16Å; R282-E287 IonicContact CZ-OE1 3.96Å; R282-E287 VanDerWaalsContact CZ-OE1 3.27Å; R282-E287 IonicContact NE-OE1 2.76Å; R282-E287 PolarHBondContact NE-OE1 3.48Å; R282-E287 IonicContact NH2-OE1 2.92Å; R282-E287 PolarHBondContact NH2-OE1 3.11Å; D283-E287 WeakPolarHBondContact O-CB 3.39Å; D283-E287 PolarHBondContact O-N 3.18Å; E284-E287 PolarHBondContact O-N 3.49Å
288W93.1Very high93.8Very high19 Ų1946.9 Ų46.97%0.07225%0.254CS..SBendtrans-71.8135.9-179.1-75.536.9000112.6E284 E292 F296 L315 K318 I323 Y326E284-W288 PolarHBondContact O-N 2.94Å; E284-W288 VanDerWaalsContact OE2-CD1 3.23Å; E284-W288 PolarHBondContact OE2-NE1 3.32Å; W288-E292 HydrophobicContact CB-CB 4.37Å; W288-E292 HydrophobicContact CD2-CB 4.3Å; W288-E292 HydrophobicContact CE3-CB 3.79Å; W288-F296 HydrophobicContact CH2-CD2 4.19Å; W288-F296 HydrophobicContact CZ3-CB 3.95Å; W288-F296 HydrophobicContact CZ3-CD2 4.01Å; W288-F296 HydrophobicContact CZ3-CG 4.14Å; W288-L315 HydrophobicContact CH2-CD1 3.68Å; W288-L315 HydrophobicContact CZ3-CD1 3.46Å; W288-L315 VanDerWaalsContact CZ3-CD1 3.46Å; W288-K318 HydrophobicContact CH2-CG 4.48Å; W288-K318 HydrophobicContact CZ2-CD 3.99Å; W288-K318 HydrophobicContact CZ2-CG 4.08Å; W288-K318 VanDerWaalsContact NE1-CE 3.35Å; W288-I323 HydrophobicContact CH2-CB 4.36Å; W288-I323 HydrophobicContact CH2-CG1 3.87Å; W288-I323 HydrophobicContact CZ2-CG1 4.13Å; W288-Y326 HydrophobicContact CB-CD2 4.22Å; W288-Y326 HydrophobicContact CB-CE2 3.79Å; W288-Y326 AromaticContact CD1-CD2 3.92Å; W288-Y326 HydrophobicContact CD2-CD1 4.34Å; W288-Y326 AromaticContact CD2-CD2 3.41Å; W288-Y326 HydrophobicContact CD2-CD2 3.41Å; W288-Y326 VanDerWaalsContact CD2-CD2 3.41Å; W288-Y326 AromaticContact CD2-CE2 3.7Å; W288-Y326 HydrophobicContact CD2-CE2 3.7Å; W288-Y326 AromaticContact CD2-CG 3.77Å; W288-Y326 HydrophobicContact CD2-CG 3.77Å; W288-Y326 AromaticContact CE2-CD2 3.62Å; W288-Y326 AromaticContact CE2-CG 3.71Å; W288-Y326 AromaticContact CE3-CD1 3.91Å; W288-Y326 HydrophobicContact CE3-CD1 3.91Å; W288-Y326 AromaticContact CE3-CD2 3.77Å; W288-Y326 HydrophobicContact CE3-CD2 3.77Å; W288-Y326 AromaticContact CE3-CE1 3.97Å; W288-Y326 HydrophobicContact CE3-CE1 3.97Å; W288-Y326 AromaticContact CE3-CE2 3.83Å; W288-Y326 HydrophobicContact CE3-CE2 3.83Å; W288-Y326 AromaticContact CE3-CG 3.82Å; W288-Y326 HydrophobicContact CE3-CG 3.82Å; W288-Y326 AromaticContact CE3-CZ 3.94Å; W288-Y326 AromaticContact CG-CD2 3.63Å; W288-Y326 HydrophobicContact CG-CD2 3.63Å; W288-Y326 AromaticContact CG-CE2 3.72Å; W288-Y326 HydrophobicContact CG-CE2 3.72Å; W288-Y326 HydrophobicContact CG-CG 4.45Å; W288-Y326 AromaticContact CH2-CD1 3.93Å; W288-Y326 HydrophobicContact CH2-CD1 3.93Å; W288-Y326 HydrophobicContact CH2-CD2 4.43Å; W288-Y326 AromaticContact CH2-CG 3.78Å; W288-Y326 HydrophobicContact CH2-CG 3.78Å; W288-Y326 HydrophobicContact CZ2-CD1 4.37Å; W288-Y326 HydrophobicContact CZ2-CD2 4.15Å; W288-Y326 AromaticContact CZ2-CG 3.75Å; W288-Y326 HydrophobicContact CZ2-CG 3.75Å; W288-Y326 AromaticContact CZ3-CD1 3.69Å; W288-Y326 HydrophobicContact CZ3-CD1 3.69Å; W288-Y326 HydrophobicContact CZ3-CD2 4.26Å; W288-Y326 HydrophobicContact CZ3-CE1 4.05Å; W288-Y326 AromaticContact CZ3-CG 3.82Å; W288-Y326 HydrophobicContact CZ3-CG 3.82Å; W288-Y326 AromaticContact NE1-CD2 3.89Å
289S91Very high94Very high44 Ų4445.6 Ų45.631%0.30825%0.246SC..  trans-64.8154.2172.767.20000111.7S291 E292 A293S289-S291 WeakPolarHBondContact CB-OG 3.44Å; S289-S291 PolarHBondContact O-N 2.98Å; S289-S291 VanDerWaalsContact O-N 3.12Å; S289-S291 PolarHBondContact OG-OG 2.74Å; S289-E292 VanDerWaalsContact CB-OE2 3.27Å; S289-E292 WeakPolarHBondContact CB-OE2 3.28Å; S289-E292 PolarHBondContact N-OE2 2.86Å; S289-E292 PolarHBondContact O-N 3.35Å; S289-E292 VanDerWaalsContact OG-CG 3.3Å; S289-E292 WeakPolarHBondContact OG-CG 3.42Å; S289-E292 PolarHBondContact OG-N 2.83Å; S289-E292 PolarHBondContact OG-OE2 3.3Å; S289-A293 PolarHBondContact O-N 3.2Å
290A89.1Confident94.1Very high51 Ų5144.9 Ų44.942%0.42124%0.24SC..Hα-helixtrans-57.9-27.317500000112.9N294A290-N294 PolarHBondContact O-N 3.35Å; A290-N294 PolarHBondContact O-ND2 2.75Å
291S93.1Very high94.1Very high75 Ų7547.9 Ų47.952%0.52425%0.253SS..Hα-helixtrans-67.4-45.7171.4250000113S289 N294 L295S289-S291 WeakPolarHBondContact CB-OG 3.44Å; S289-S291 PolarHBondContact O-N 2.98Å; S289-S291 VanDerWaalsContact O-N 3.12Å; S289-S291 PolarHBondContact OG-OG 2.74Å; S291-N294 PolarHBondContact O-N 3.4Å; S291-L295 WeakPolarHBondContact O-CG 3.29Å; S291-L295 PolarHBondContact O-N 3.36Å
292E96Very high94.2Very high25 Ų2552.9 Ų52.912%0.11727%0.272CS..Hα-helixtrans-68.8-38.1178.5-70.4161.7120.300111.6W288 S289 N294 L295 F296 L315 W317 K318W288-E292 HydrophobicContact CB-CB 4.37Å; W288-E292 HydrophobicContact CD2-CB 4.3Å; W288-E292 HydrophobicContact CE3-CB 3.79Å; S289-E292 VanDerWaalsContact CB-OE2 3.27Å; S289-E292 WeakPolarHBondContact CB-OE2 3.28Å; S289-E292 PolarHBondContact N-OE2 2.86Å; S289-E292 PolarHBondContact O-N 3.35Å; S289-E292 VanDerWaalsContact OG-CG 3.3Å; S289-E292 WeakPolarHBondContact OG-CG 3.42Å; S289-E292 PolarHBondContact OG-N 2.83Å; S289-E292 PolarHBondContact OG-OE2 3.3Å; E292-N294 PolarHBondContact O-N 3.19Å; E292-L295 PolarHBondContact O-N 2.85Å; E292-F296 WeakPolarHBondContact O-CB 3.49Å; E292-F296 PolarHBondContact O-N 2.97Å; E292-L315 HydrophobicContact CB-CD2 4.08Å; E292-L315 HydrophobicContact CG-CD2 4.06Å; E292-W317 HydrophobicContact CG-CZ2 4.06Å; E292-W317 PolarHBondContact OE1-NE1 3.09Å; E292-K318 WeakPolarHBondContact OE1-CE 3.2Å
293A94.5Very high94.3Very high18 Ų1852.7 Ų52.715%0.14927%0.272CS..Hα-helixtrans-60.3-42.2173.100000112.3S289 E297 Y326S289-A293 PolarHBondContact O-N 3.2Å; A293-E297 PolarHBondContact O-N 2.94Å; A293-Y326 VanDerWaalsContact CB-OH 3.31Å; A293-Y326 WeakPolarHBondContact CB-OH 3.32Å
294N94.8Very high94.3Very high90 Ų9054.1 Ų54.148%0.48129%0.288SS..Hα-helixtrans-67.2-47.3175.6-71.2-14000111.8A290 S291 E292 F296 E297 E298A290-N294 PolarHBondContact O-N 3.35Å; A290-N294 PolarHBondContact O-ND2 2.75Å; S291-N294 PolarHBondContact O-N 3.4Å; E292-N294 PolarHBondContact O-N 3.19Å; N294-F296 PolarHBondContact O-N 2.71Å; N294-E297 PolarHBondContact O-N 2.82Å; N294-E297 VanDerWaalsContact O-N 3.14Å; N294-E298 PolarHBondContact O-N 3.19Å
295L97.4Very high94.4Very high52 Ų5258.8 Ų58.827%0.27231%0.308SS..Hα-helixtrans-57.1-39176.3-75.9168.5000111.7S291 E292 A299 F314 L315 W317S291-L295 WeakPolarHBondContact O-CG 3.29Å; S291-L295 PolarHBondContact O-N 3.36Å; E292-L295 PolarHBondContact O-N 2.85Å; L295-A299 VanDerWaalsContact O-CB 3.23Å; L295-A299 WeakPolarHBondContact O-CB 3.35Å; L295-A299 PolarHBondContact O-N 3.11Å; L295-F314 HydrophobicContact CD2-CD1 4.03Å; L295-F314 WeakPolarHBondContact O-CD1 3.46Å; L295-L315 HydrophobicContact CB-CD2 4Å; L295-L315 HydrophobicContact CD1-CD2 4.18Å; L295-W317 HydrophobicContact CD1-CH2 4Å; L295-W317 HydrophobicContact CD1-CZ2 4.2Å
296F97.4Very high94.6Very high0 Ų059.6 Ų59.60%031%0.313CS..Hα-helixtrans-62.3-45.8175.4-177-101.3000112.8W288 E292 N294 A299 L300 F307 I310 L315 I323 Y326 Y327 W330W288-F296 HydrophobicContact CH2-CD2 4.19Å; W288-F296 HydrophobicContact CZ3-CB 3.95Å; W288-F296 HydrophobicContact CZ3-CD2 4.01Å; W288-F296 HydrophobicContact CZ3-CG 4.14Å; E292-F296 WeakPolarHBondContact O-CB 3.49Å; E292-F296 PolarHBondContact O-N 2.97Å; N294-F296 PolarHBondContact O-N 2.71Å; F296-A299 PolarHBondContact O-N 2.74Å; F296-L300 HydrophobicContact CE1-CD1 4.27Å; F296-L300 HydrophobicContact CE1-CD2 4.33Å; F296-L300 HydrophobicContact CZ-CD1 3.94Å; F296-L300 VanDerWaalsContact O-CB 3.23Å; F296-L300 WeakPolarHBondContact O-CB 3.41Å; F296-L300 PolarHBondContact O-N 3.47Å; F296-F307 HydrophobicContact CZ-CE1 4.43Å; F296-I310 HydrophobicContact CD2-CG2 4.32Å; F296-L315 HydrophobicContact CB-CD1 4.16Å; F296-L315 HydrophobicContact CD2-CD1 4.15Å; F296-I323 HydrophobicContact CD2-CG2 4.38Å; F296-I323 HydrophobicContact CE2-CG2 3.91Å; F296-Y326 HydrophobicContact CB-CE1 4.33Å; F296-Y326 AromaticContact CD1-CD1 3.85Å; F296-Y326 HydrophobicContact CD1-CD1 3.85Å; F296-Y326 AromaticContact CD1-CE1 3.62Å; F296-Y326 HydrophobicContact CD1-CE1 3.62Å; F296-Y326 HydrophobicContact CD2-CD1 4.21Å; F296-Y326 AromaticContact CE1-CD1 3.96Å; F296-Y326 HydrophobicContact CE1-CD1 3.96Å; F296-Y326 HydrophobicContact CE1-CE1 4.06Å; F296-Y326 HydrophobicContact CE2-CD1 4.31Å; F296-Y326 AromaticContact CG-CD1 3.98Å; F296-Y326 HydrophobicContact CG-CD1 3.98Å; F296-Y326 AromaticContact CG-CE1 3.92Å; F296-Y326 HydrophobicContact CG-CE1 3.92Å; F296-Y326 HydrophobicContact CZ-CD1 4.19Å; F296-Y327 HydrophobicContact CE1-CD2 4.43Å; F296-Y327 AromaticContact CZ-CD2 3.91Å; F296-Y327 HydrophobicContact CZ-CD2 3.91Å; F296-Y327 HydrophobicContact CZ-CG 4.35Å; F296-W330 HydrophobicContact CE1-CD2 4.09Å; F296-W330 HydrophobicContact CE1-CE3 4.1Å; F296-W330 HydrophobicContact CE1-CG 4.34Å
297E94.5Very high94.9Very high30 Ų3058.1 Ų58.114%0.1431%0.306CS..Hα-helixtrans-65.6-43.1178.9-70-17118000111.7A293 N294 A299 L300 E301 W330 R335A293-E297 PolarHBondContact O-N 2.94Å; N294-E297 PolarHBondContact O-N 2.82Å; N294-E297 VanDerWaalsContact O-N 3.14Å; E297-A299 VanDerWaalsContact C-N 3.33Å; E297-A299 PolarHBondContact O-N 2.88Å; E297-L300 PolarHBondContact O-N 3.22Å; E297-E301 WeakPolarHBondContact O-CG 3.17Å; E297-E301 PolarHBondContact O-N 2.96Å; E297-W330 HydrophobicContact CG-CZ2 3.69Å; E297-W330 PolarHBondContact OE1-NE1 3.19Å; E297-R335 VanDerWaalsContact OE1-CD 3.31Å; E297-R335 WeakPolarHBondContact OE1-CD 3.43Å; E297-R335 IonicContact OE1-CZ 3.47Å; E297-R335 IonicContact OE1-NE 3.56Å; E297-R335 PolarHBondContact OE1-NE 2.83Å; E297-R335 IonicContact OE2-CZ 2.71Å; E297-R335 IonicContact OE2-NE 3.84Å; E297-R335 PolarHBondContact OE2-NE 3.5Å; E297-R335 IonicContact OE2-NH2 2.74Å; E297-R335 PolarHBondContact OE2-NH2 3.04Å
298E95.7Very high95.2Very high118 Ų11857.4 Ų57.455%0.55131%0.307SS*.Hα-helixtrans-58.8-44173.5-70.2178.9-154.400111.9N294 E301 K302 F314N294-E298 PolarHBondContact O-N 3.19Å; E298-E301 PolarHBondContact O-N 3Å; E298-K302 WeakPolarHBondContact O-CB 3.4Å; E298-K302 PolarHBondContact O-N 3.07Å; E298-F314 HydrophobicContact CB-CE1 3.9Å
299A97.3Very high95.5Very high0 Ų060 Ų600%032%0.323CS..Hα-helixtrans-67-40.217800000112.3L295 F296 E297 K302 Y303 I310 F314L295-A299 VanDerWaalsContact O-CB 3.23Å; L295-A299 WeakPolarHBondContact O-CB 3.35Å; L295-A299 PolarHBondContact O-N 3.11Å; F296-A299 PolarHBondContact O-N 2.74Å; E297-A299 VanDerWaalsContact C-N 3.33Å; E297-A299 PolarHBondContact O-N 2.88Å; A299-K302 PolarHBondContact O-N 2.81Å; A299-Y303 WeakPolarHBondContact O-CB 3.42Å; A299-Y303 PolarHBondContact O-N 3.24Å; A299-I310 HydrophobicContact CB-CB 4.14Å; A299-I310 HydrophobicContact CB-CG1 3.79Å; A299-I310 HydrophobicContact CB-CG2 3.72Å; A299-F314 HydrophobicContact CB-CB 3.83Å; A299-F314 HydrophobicContact CB-CD1 3.8Å; A299-F314 HydrophobicContact CB-CD2 3.47Å; A299-F314 VanDerWaalsContact CB-CD2 3.47Å; A299-F314 HydrophobicContact CB-CE1 4.16Å; A299-F314 HydrophobicContact CB-CE2 3.85Å; A299-F314 HydrophobicContact CB-CG 3.44Å; A299-F314 VanDerWaalsContact CB-CG 3.44Å; A299-F314 HydrophobicContact CB-CZ 4.17Å
300L95.5Very high95.8Very high23 Ų2357.9 Ų57.912%0.1231%0.308CS..Hα-helixtrans-68.2-33.5178-162.286000111.9F296 E297 G304 F307 I310 Y327 W330F296-L300 HydrophobicContact CE1-CD1 4.27Å; F296-L300 HydrophobicContact CE1-CD2 4.33Å; F296-L300 HydrophobicContact CZ-CD1 3.94Å; F296-L300 VanDerWaalsContact O-CB 3.23Å; F296-L300 WeakPolarHBondContact O-CB 3.41Å; F296-L300 PolarHBondContact O-N 3.47Å; E297-L300 PolarHBondContact O-N 3.22Å; L300-G304 WeakPolarHBondContact CD1-O 3.1Å; L300-G304 WeakPolarHBondContact CG-O 3.44Å; L300-G304 WeakPolarHBondContact O-CA 3.45Å; L300-G304 PolarHBondContact O-N 2.61Å; L300-F307 HydrophobicContact CD1-CE1 4.14Å; L300-I310 HydrophobicContact CD1-CD1 4.15Å; L300-Y327 HydrophobicContact CD1-CD2 4.01Å; L300-Y327 HydrophobicContact CD1-CE2 3.98Å; L300-Y327 HydrophobicContact CD2-CE2 4.42Å; L300-W330 HydrophobicContact CD2-CE3 4.3Å; L300-W330 HydrophobicContact CD2-CH2 3.47Å; L300-W330 VanDerWaalsContact CD2-CH2 3.47Å; L300-W330 HydrophobicContact CD2-CZ2 4.46Å; L300-W330 HydrophobicContact CD2-CZ3 3.37Å
301E92.7Very high96.3Very high126 Ų12657.8 Ų57.859%0.58930%0.299SS*.Hα-helixtrans-76-31.9173.3-63.5-142.9127.800112.7E297 E298 Q339 K343E297-E301 WeakPolarHBondContact O-CG 3.17Å; E297-E301 PolarHBondContact O-N 2.96Å; E298-E301 PolarHBondContact O-N 3Å; E301-Q339 PolarHBondContact OE1-NE2 3.04Å; E301-K343 IonicContact OE1-NZ 3Å; E301-K343 PolarHBondContact OE1-NZ 3.47Å; E301-K343 VanDerWaalsContact OE1-NZ 3.08Å
302K96.2Very high96.5Very high126 Ų12661 Ų6155%0.54831%0.305SS..Hα-helixtrans-78.8-43.3178.7-169.8-168.7178.5-162.60113.7E298 A299 F314E298-K302 WeakPolarHBondContact O-CB 3.4Å; E298-K302 PolarHBondContact O-N 3.07Å; A299-K302 PolarHBondContact O-N 2.81Å; K302-F314 HydrophobicContact CD-CE2 3.76Å; K302-F314 HydrophobicContact CD-CZ 3.67Å
303Y96.5Very high96.6Very high65 Ų6564 Ų6426%0.25532%0.323SS..Hα-helixtrans-115.6-0.5-172.8-59.9-30.3000113.9A299 K305 D306 D309 I310 D313 F314A299-Y303 WeakPolarHBondContact O-CB 3.42Å; A299-Y303 PolarHBondContact O-N 3.24Å; Y303-K305 PolarHBondContact O-N 3.42Å; Y303-D306 PolarHBondContact O-N 3.07Å; Y303-D309 HydrophobicContact CD2-CB 3.76Å; Y303-D309 HydrophobicContact CE2-CB 4.03Å; Y303-D309 HydrophobicContact CG-CB 4.28Å; Y303-I310 HydrophobicContact CD2-CG1 4.36Å; Y303-D313 HydrophobicContact CE2-CB 4Å; Y303-D313 PolarHBondContact OH-OD2 2.84Å; Y303-F314 HydrophobicContact CD2-CE2 4.25Å; Y303-F314 HydrophobicContact CE2-CD2 4.22Å; Y303-F314 AromaticContact CE2-CE2 3.85Å; Y303-F314 HydrophobicContact CE2-CE2 3.85Å
304G94.8Very high96.8Very high36 Ų3664.6 Ų64.637%0.37132%0.322SS..THydrogen-bonded Turntrans74.5-87.4171.800000113.4L300L300-G304 WeakPolarHBondContact CD1-O 3.1Å; L300-G304 WeakPolarHBondContact CG-O 3.44Å; L300-G304 WeakPolarHBondContact O-CA 3.45Å; L300-G304 PolarHBondContact O-N 2.61Å
305K96.9Very high96.9Very high137 Ų13760.3 Ų60.360%0.59630%0.299SS*.THydrogen-bonded Turntrans-141.918.9179.6-56.4-168.7-168.2-165.80112.9Y303 F307 Y327Y303-K305 PolarHBondContact O-N 3.42Å; K305-F307 VanDerWaalsContact C-N 3.29Å; K305-F307 HydrophobicContact CB-CE2 3.96Å; K305-F307 HydrophobicContact CB-CZ 4.1Å; K305-F307 HydrophobicContact CG-CZ 4.5Å; K305-F307 WeakPolarHBondContact O-CD2 3.25Å; K305-F307 WeakPolarHBondContact O-CE2 3.21Å; K305-F307 PolarHBondContact O-N 3.07Å; K305-Y327 WeakPolarHBondContact CD-OH 3.37Å; K305-Y327 WeakPolarHBondContact CE-OH 3.34Å; K305-Y327 PolarHBondContact NZ-OH 2.67Å
306D97.5Very high96.9Very high67 Ų6761.6 Ų61.636%0.35831%0.31SS..  trans-78.586.3169.9-158.6-56.9000108.9Y303 T308 D309 I310Y303-D306 PolarHBondContact O-N 3.07Å; D306-T308 PolarHBondContact O-N 2.95Å; D306-T308 WeakPolarHBondContact OD1-CB 3.46Å; D306-T308 PolarHBondContact OD1-N 3.33Å; D306-T308 PolarHBondContact OD1-OG1 2.95Å; D306-D309 HydrophobicContact CB-CB 4.17Å; D306-D309 PolarHBondContact O-N 2.95Å; D306-D309 PolarHBondContact OD1-N 3.28Å; D306-I310 WeakPolarHBondContact O-CB 3.38Å; D306-I310 WeakPolarHBondContact O-CG1 3.45Å; D306-I310 PolarHBondContact O-N 3.26Å
307F98.1Very high97Very high28 Ų2869 Ų6912%0.12334%0.339CS..Hα-helixtrans-66.7-20.1-176.5-60.1-71.8000112.6F296 L300 K305 I310 Q311 L320 I323 I324 Y327F296-F307 HydrophobicContact CZ-CE1 4.43Å; L300-F307 HydrophobicContact CD1-CE1 4.14Å; K305-F307 VanDerWaalsContact C-N 3.29Å; K305-F307 HydrophobicContact CB-CE2 3.96Å; K305-F307 HydrophobicContact CB-CZ 4.1Å; K305-F307 HydrophobicContact CG-CZ 4.5Å; K305-F307 WeakPolarHBondContact O-CD2 3.25Å; K305-F307 WeakPolarHBondContact O-CE2 3.21Å; K305-F307 PolarHBondContact O-N 3.07Å; F307-I310 HydrophobicContact CD1-CD1 4.08Å; F307-I310 HydrophobicContact CE1-CD1 4.45Å; F307-Q311 WeakPolarHBondContact O-CB 3.2Å; F307-Q311 PolarHBondContact O-N 3.1Å; F307-L320 HydrophobicContact CB-CD1 3.7Å; F307-L320 WeakPolarHBondContact O-CD1 3.14Å; F307-I323 HydrophobicContact CB-CG2 4.39Å; F307-I323 HydrophobicContact CD1-CG2 3.94Å; F307-I324 HydrophobicContact CB-CD1 3.93Å; F307-I324 HydrophobicContact CD1-CD1 4.23Å; F307-I324 HydrophobicContact CD2-CD1 3.27Å; F307-I324 HydrophobicContact CE2-CD1 3.77Å; F307-I324 HydrophobicContact CG-CD1 3.53Å; F307-I324 HydrophobicContact CZ-CD1 4.44Å; F307-Y327 HydrophobicContact CE1-CD1 4.06Å; F307-Y327 AromaticContact CE1-CD2 3.83Å; F307-Y327 HydrophobicContact CE1-CD2 3.83Å; F307-Y327 HydrophobicContact CE1-CE2 4.38Å; F307-Y327 AromaticContact CE1-CG 3.62Å; F307-Y327 HydrophobicContact CE1-CG 3.62Å; F307-Y327 HydrophobicContact CE2-CD1 4.3Å; F307-Y327 HydrophobicContact CE2-CE1 4.41Å; F307-Y327 AromaticContact CZ-CD1 3.47Å; F307-Y327 HydrophobicContact CZ-CD1 3.47Å; F307-Y327 VanDerWaalsContact CZ-CD1 3.47Å; F307-Y327 AromaticContact CZ-CD2 3.81Å; F307-Y327 HydrophobicContact CZ-CD2 3.81Å; F307-Y327 AromaticContact CZ-CE1 3.69Å; F307-Y327 HydrophobicContact CZ-CE1 3.69Å; F307-Y327 HydrophobicContact CZ-CE2 4.01Å; F307-Y327 AromaticContact CZ-CG 3.51Å; F307-Y327 HydrophobicContact CZ-CG 3.51Å; F307-Y327 AromaticContact CZ-CZ 3.94Å
308T97.9Very high97.1Very high75 Ų7569 Ų6946%0.4634%0.338SS..Hα-helixtrans-70.8-49.1171.917.60000111.8D306 Q311 Q312 L320D306-T308 PolarHBondContact O-N 2.95Å; D306-T308 WeakPolarHBondContact OD1-CB 3.46Å; D306-T308 PolarHBondContact OD1-N 3.33Å; D306-T308 PolarHBondContact OD1-OG1 2.95Å; T308-Q311 PolarHBondContact O-N 3.31Å; T308-Q312 WeakPolarHBondContact O-CB 3.46Å; T308-Q312 PolarHBondContact O-N 3.45Å; T308-L320 HydrophobicContact CG2-CD1 4.41Å; T308-L320 HydrophobicContact CG2-CD2 4.09Å
309D98.1Very high97.3Very high73 Ų7365.9 Ų65.939%0.3933%0.329SS..Hα-helixtrans-68.3-35.6175.4-75.74.5000111.7Y303 D306 Q312 D313Y303-D309 HydrophobicContact CD2-CB 3.76Å; Y303-D309 HydrophobicContact CE2-CB 4.03Å; Y303-D309 HydrophobicContact CG-CB 4.28Å; D306-D309 HydrophobicContact CB-CB 4.17Å; D306-D309 PolarHBondContact O-N 2.95Å; D306-D309 PolarHBondContact OD1-N 3.28Å; D309-Q312 PolarHBondContact O-N 2.89Å; D309-D313 PolarHBondContact O-N 3.28Å
310I98.3Very high97.3Very high0 Ų069 Ų690%035%0.345CS..Hα-helixtrans-60.4-45.4171.9-68.8167.4000110.8F296 A299 L300 Y303 D306 F307 F314 L315 I323F296-I310 HydrophobicContact CD2-CG2 4.32Å; A299-I310 HydrophobicContact CB-CB 4.14Å; A299-I310 HydrophobicContact CB-CG1 3.79Å; A299-I310 HydrophobicContact CB-CG2 3.72Å; L300-I310 HydrophobicContact CD1-CD1 4.15Å; Y303-I310 HydrophobicContact CD2-CG1 4.36Å; D306-I310 WeakPolarHBondContact O-CB 3.38Å; D306-I310 WeakPolarHBondContact O-CG1 3.45Å; D306-I310 PolarHBondContact O-N 3.26Å; F307-I310 HydrophobicContact CD1-CD1 4.08Å; F307-I310 HydrophobicContact CE1-CD1 4.45Å; I310-F314 WeakPolarHBondContact O-CB 3.41Å; I310-F314 PolarHBondContact O-N 3.37Å; I310-F314 VanDerWaalsContact O-N 3.16Å; I310-L315 PolarHBondContact O-N 2.91Å; I310-I323 HydrophobicContact CG2-CG2 4.29Å
311Q98.3Very high97.5Very high50 Ų5073 Ų7323%0.23437%0.371CS..Hα-helixtrans-61.9-50.9174.6-172-173.419.400110.6F307 T308 D313 L315 P316 K318 I323F307-Q311 WeakPolarHBondContact O-CB 3.2Å; F307-Q311 PolarHBondContact O-N 3.1Å; T308-Q311 PolarHBondContact O-N 3.31Å; Q311-D313 PolarHBondContact O-N 3.04Å; Q311-L315 CarbonylContact O-C 3.56Å; Q311-L315 PolarHBondContact O-N 3.03Å; Q311-P316 WeakPolarHBondContact O-CA 3.13Å; Q311-P316 WeakPolarHBondContact O-CD 3.4Å; Q311-K318 PolarHBondContact NE2-O 3.32Å; Q311-I323 HydrophobicContact CB-CD1 3.53Å; Q311-I323 HydrophobicContact CG-CD1 3.62Å
312Q97.9Very high97.7Very high141 Ų14167.3 Ų67.366%0.65935%0.345SS*.Hα-helixtrans-63.5-43.7-171.8-178.7171.9-28.800113.3T308 D309T308-Q312 WeakPolarHBondContact O-CB 3.46Å; T308-Q312 PolarHBondContact O-N 3.45Å; D309-Q312 PolarHBondContact O-N 2.89Å
313D98.1Very high97.8Very high89 Ų8961.3 Ų61.348%0.47632%0.319SS..Hα-helixtrans-95-30.3-171.5-837.6000114.4Y303 D309 Q311Y303-D313 HydrophobicContact CE2-CB 4Å; Y303-D313 PolarHBondContact OH-OD2 2.84Å; D309-D313 PolarHBondContact O-N 3.28Å; Q311-D313 PolarHBondContact O-N 3.04Å
314F98Very high97.9Very high31 Ų3161 Ų6114%0.13632%0.321CS..THydrogen-bonded Turntrans-115.1-36.6-171.8-73.5-103.6000114.1L295 E298 A299 K302 Y303 I310 P316 W317L295-F314 HydrophobicContact CD2-CD1 4.03Å; L295-F314 WeakPolarHBondContact O-CD1 3.46Å; E298-F314 HydrophobicContact CB-CE1 3.9Å; A299-F314 HydrophobicContact CB-CB 3.83Å; A299-F314 HydrophobicContact CB-CD1 3.8Å; A299-F314 HydrophobicContact CB-CD2 3.47Å; A299-F314 VanDerWaalsContact CB-CD2 3.47Å; A299-F314 HydrophobicContact CB-CE1 4.16Å; A299-F314 HydrophobicContact CB-CE2 3.85Å; A299-F314 HydrophobicContact CB-CG 3.44Å; A299-F314 VanDerWaalsContact CB-CG 3.44Å; A299-F314 HydrophobicContact CB-CZ 4.17Å; K302-F314 HydrophobicContact CD-CE2 3.76Å; K302-F314 HydrophobicContact CD-CZ 3.67Å; Y303-F314 HydrophobicContact CD2-CE2 4.25Å; Y303-F314 HydrophobicContact CE2-CD2 4.22Å; Y303-F314 AromaticContact CE2-CE2 3.85Å; Y303-F314 HydrophobicContact CE2-CE2 3.85Å; I310-F314 WeakPolarHBondContact O-CB 3.41Å; I310-F314 PolarHBondContact O-N 3.37Å; I310-F314 VanDerWaalsContact O-N 3.16Å; F314-P316 VanDerWaalsContact C-CD 3.43Å; F314-W317 WeakPolarHBondContact O-CH2 3.47Å
315L98Very high98.1Very high0 Ų063.2 Ų63.20%032%0.322CS..  trans-13249.6-173.2-62.6171.3000113.7W288 E292 L295 F296 I310 Q311 W317 K318 I323W288-L315 HydrophobicContact CH2-CD1 3.68Å; W288-L315 HydrophobicContact CZ3-CD1 3.46Å; W288-L315 VanDerWaalsContact CZ3-CD1 3.46Å; E292-L315 HydrophobicContact CB-CD2 4.08Å; E292-L315 HydrophobicContact CG-CD2 4.06Å; L295-L315 HydrophobicContact CB-CD2 4Å; L295-L315 HydrophobicContact CD1-CD2 4.18Å; F296-L315 HydrophobicContact CB-CD1 4.16Å; F296-L315 HydrophobicContact CD2-CD1 4.15Å; I310-L315 PolarHBondContact O-N 2.91Å; Q311-L315 CarbonylContact O-C 3.56Å; Q311-L315 PolarHBondContact O-N 3.03Å; L315-W317 HydrophobicContact CD2-CH2 4.41Å; L315-W317 HydrophobicContact CD2-CZ2 3.81Å; L315-W317 PolarHBondContact O-N 2.91Å; L315-K318 HydrophobicContact CB-CB 4.34Å; L315-K318 PolarHBondContact O-N 3.31Å; L315-I323 HydrophobicContact CB-CD1 4.23Å
316P98.1Very high98.1Very high79 Ų7957 Ų5751%0.51329%0.294SS..THydrogen-bonded Turntrans-69.1-8-170.526.9-36.6000114.9Q311 F314Q311-P316 WeakPolarHBondContact O-CA 3.13Å; Q311-P316 WeakPolarHBondContact O-CD 3.4Å; F314-P316 VanDerWaalsContact C-CD 3.43Å
317W98.1Very high98.1Very high156 Ų15654.3 Ų54.359%0.59128%0.28SS*.THydrogen-bonded Turntrans-93.3-14.5173.258.885.6000113.8E292 L295 F314 L315E292-W317 HydrophobicContact CG-CZ2 4.06Å; E292-W317 PolarHBondContact OE1-NE1 3.09Å; L295-W317 HydrophobicContact CD1-CH2 4Å; L295-W317 HydrophobicContact CD1-CZ2 4.2Å; F314-W317 WeakPolarHBondContact O-CH2 3.47Å; L315-W317 HydrophobicContact CD2-CH2 4.41Å; L315-W317 HydrophobicContact CD2-CZ2 3.81Å; L315-W317 PolarHBondContact O-N 2.91Å
318K98.2Very high98.1Very high29 Ų2959.8 Ų59.813%0.12630%0.3CS..SBendtrans-84.3155.9170.8-74.1-73.6-175.6174.50109.7E284 W288 E292 Q311 L315 I323E284-K318 IonicContact OE2-NZ 3.19Å; E284-K318 PolarHBondContact OE2-NZ 2.61Å; E284-K318 VanDerWaalsContact OE2-NZ 3.08Å; W288-K318 HydrophobicContact CH2-CG 4.48Å; W288-K318 HydrophobicContact CZ2-CD 3.99Å; W288-K318 HydrophobicContact CZ2-CG 4.08Å; W288-K318 VanDerWaalsContact NE1-CE 3.35Å; E292-K318 WeakPolarHBondContact OE1-CE 3.2Å; Q311-K318 PolarHBondContact NE2-O 3.32Å; L315-K318 HydrophobicContact CB-CB 4.34Å; L315-K318 PolarHBondContact O-N 3.31Å; K318-I323 HydrophobicContact CB-CD1 4.01Å; K318-I323 HydrophobicContact CB-CG1 3.87Å
319S98.3Very high98Very high52 Ų5258.3 Ų58.336%0.36429%0.289SS..  trans-84.6153.6174.5760000110T321 S322 I323S319-T321 PolarHBondContact O-N 3.24Å; S319-T321 PolarHBondContact OG-OG1 2.95Å; S319-T321 VanDerWaalsContact OG-OG1 3.09Å; S319-S322 PolarHBondContact N-OG 3.16Å; S319-S322 PolarHBondContact O-N 2.82Å; S319-S322 PolarHBondContact O-OG 3.23Å; S319-S322 VanDerWaalsContact O-OG 3.09Å; S319-S322 PolarHBondContact OG-N 3.33Å; S319-S322 VanDerWaalsContact OG-N 3.1Å; S319-S322 PolarHBondContact OG-OG 3.38Å; S319-I323 VanDerWaalsContact O-CG1 3.31Å; S319-I323 WeakPolarHBondContact O-CG1 3.49Å; S319-I323 PolarHBondContact O-N 2.86Å
320L98.4Very high97.8Very high66 Ų6655.3 Ų55.335%0.34627%0.272SS..Hα-helixtrans-59.4-37.2176.8-175.161.3000111.3F307 T308 I323 I324F307-L320 HydrophobicContact CB-CD1 3.7Å; F307-L320 WeakPolarHBondContact O-CD1 3.14Å; T308-L320 HydrophobicContact CG2-CD1 4.41Å; T308-L320 HydrophobicContact CG2-CD2 4.09Å; L320-I323 PolarHBondContact O-N 3.03Å; L320-I324 VanDerWaalsContact O-CG1 3.22Å; L320-I324 WeakPolarHBondContact O-CG1 3.47Å; L320-I324 PolarHBondContact O-N 2.69Å
321T98.4Very high97.7Very high107 Ų10758 Ų5866%0.65628%0.284SS*.Hα-helixtrans-66.6-40177.845.10000112.4S319 I324 E325S319-T321 PolarHBondContact O-N 3.24Å; S319-T321 PolarHBondContact OG-OG1 2.95Å; S319-T321 VanDerWaalsContact OG-OG1 3.09Å; T321-I324 PolarHBondContact O-N 3.03Å; T321-E325 PolarHBondContact O-N 3.44Å
322S98.1Very high97.4Very high6 Ų660.6 Ų60.64%0.04230%0.303CS..Hα-helixtrans-70.6-33.6176.457.80000113.4E284 S319 I324 E325 Y326E284-S322 WeakPolarHBondContact OE1-CB 3.09Å; S319-S322 PolarHBondContact N-OG 3.16Å; S319-S322 PolarHBondContact O-N 2.82Å; S319-S322 PolarHBondContact O-OG 3.23Å; S319-S322 VanDerWaalsContact O-OG 3.09Å; S319-S322 PolarHBondContact OG-N 3.33Å; S319-S322 VanDerWaalsContact OG-N 3.1Å; S319-S322 PolarHBondContact OG-OG 3.38Å; S322-I324 VanDerWaalsContact C-N 3.31Å; S322-I324 PolarHBondContact O-N 3.46Å; S322-E325 PolarHBondContact O-N 2.94Å; S322-Y326 VanDerWaalsContact O-CB 3.27Å; S322-Y326 WeakPolarHBondContact O-CB 3.44Å; S322-Y326 PolarHBondContact O-N 3.31Å
323I98.3Very high97Very high0 Ų055.5 Ų55.50%028%0.281CS..Hα-helixtrans-63.3-38.9171.8-65165.4000110.9W288 F296 F307 I310 Q311 L315 K318 S319 L320 Y327W288-I323 HydrophobicContact CH2-CB 4.36Å; W288-I323 HydrophobicContact CH2-CG1 3.87Å; W288-I323 HydrophobicContact CZ2-CG1 4.13Å; F296-I323 HydrophobicContact CD2-CG2 4.38Å; F296-I323 HydrophobicContact CE2-CG2 3.91Å; F307-I323 HydrophobicContact CB-CG2 4.39Å; F307-I323 HydrophobicContact CD1-CG2 3.94Å; I310-I323 HydrophobicContact CG2-CG2 4.29Å; Q311-I323 HydrophobicContact CB-CD1 3.53Å; Q311-I323 HydrophobicContact CG-CD1 3.62Å; L315-I323 HydrophobicContact CB-CD1 4.23Å; K318-I323 HydrophobicContact CB-CD1 4.01Å; K318-I323 HydrophobicContact CB-CG1 3.87Å; S319-I323 VanDerWaalsContact O-CG1 3.31Å; S319-I323 WeakPolarHBondContact O-CG1 3.49Å; S319-I323 PolarHBondContact O-N 2.86Å; L320-I323 PolarHBondContact O-N 3.03Å; I323-Y327 WeakPolarHBondContact O-CB 3.47Å; I323-Y327 PolarHBondContact O-N 3.37Å
324I98.3Very high96.4Very high59 Ų5957 Ų5730%0.30329%0.29SS..Hα-helixtrans-67.2-46.3175.2-67.9-72.8000111.1F307 L320 T321 S322 Y327 Y328F307-I324 HydrophobicContact CB-CD1 3.93Å; F307-I324 HydrophobicContact CD1-CD1 4.23Å; F307-I324 HydrophobicContact CD2-CD1 3.27Å; F307-I324 HydrophobicContact CE2-CD1 3.77Å; F307-I324 HydrophobicContact CG-CD1 3.53Å; F307-I324 HydrophobicContact CZ-CD1 4.44Å; L320-I324 VanDerWaalsContact O-CG1 3.22Å; L320-I324 WeakPolarHBondContact O-CG1 3.47Å; L320-I324 PolarHBondContact O-N 2.69Å; T321-I324 PolarHBondContact O-N 3.03Å; S322-I324 VanDerWaalsContact C-N 3.31Å; S322-I324 PolarHBondContact O-N 3.46Å; I324-Y327 WeakPolarHBondContact O-CB 3.23Å; I324-Y327 PolarHBondContact O-N 2.95Å; I324-Y328 HydrophobicContact CG2-CD2 4.03Å; I324-Y328 HydrophobicContact CG2-CE2 3.97Å; I324-Y328 VanDerWaalsContact O-CD2 3.27Å; I324-Y328 WeakPolarHBondContact O-CD2 3.43Å; I324-Y328 PolarHBondContact O-N 3.3Å
325E98.1Very high95.8Very high82 Ų8263 Ų6338%0.38331%0.311SS..Hα-helixtrans-59.5-50.1177-172.5175.713300111.3E284 T321 S322 Y327 Y328 M329E284-E325 HydrophobicContact CG-CB 4.45Å; T321-E325 PolarHBondContact O-N 3.44Å; S322-E325 PolarHBondContact O-N 2.94Å; E325-Y327 VanDerWaalsContact C-N 3.32Å; E325-Y327 PolarHBondContact O-N 3.02Å; E325-Y328 PolarHBondContact O-N 2.79Å; E325-Y328 VanDerWaalsContact O-N 3.12Å; E325-M329 HydrophobicContact CG-CE 3.62Å; E325-M329 HydrophobicContact CG-SD 4.24Å; E325-M329 PolarHBondContact O-N 2.88Å; E325-M329 VanDerWaalsContact O-N 3.14Å; E325-M329 WeakPolarHBondContact OE1-CE 3.45Å
326Y97.8Very high95.2Very high6 Ų665.2 Ų65.22%0.02432%0.32CS..Hα-helixtrans-53.6-46.7174.6-172.5-92.2000111.8E284 M285 W288 A293 F296 S322 Y328 M329 W330E284-Y326 HydrophobicContact CB-CD2 4.48Å; E284-Y326 WeakPolarHBondContact O-CD2 3.39Å; M285-Y326 HydrophobicContact SD-CE2 4.09Å; W288-Y326 HydrophobicContact CB-CD2 4.22Å; W288-Y326 HydrophobicContact CB-CE2 3.79Å; W288-Y326 AromaticContact CD1-CD2 3.92Å; W288-Y326 HydrophobicContact CD2-CD1 4.34Å; W288-Y326 AromaticContact CD2-CD2 3.41Å; W288-Y326 HydrophobicContact CD2-CD2 3.41Å; W288-Y326 VanDerWaalsContact CD2-CD2 3.41Å; W288-Y326 AromaticContact CD2-CE2 3.7Å; W288-Y326 HydrophobicContact CD2-CE2 3.7Å; W288-Y326 AromaticContact CD2-CG 3.77Å; W288-Y326 HydrophobicContact CD2-CG 3.77Å; W288-Y326 AromaticContact CE2-CD2 3.62Å; W288-Y326 AromaticContact CE2-CG 3.71Å; W288-Y326 AromaticContact CE3-CD1 3.91Å; W288-Y326 HydrophobicContact CE3-CD1 3.91Å; W288-Y326 AromaticContact CE3-CD2 3.77Å; W288-Y326 HydrophobicContact CE3-CD2 3.77Å; W288-Y326 AromaticContact CE3-CE1 3.97Å; W288-Y326 HydrophobicContact CE3-CE1 3.97Å; W288-Y326 AromaticContact CE3-CE2 3.83Å; W288-Y326 HydrophobicContact CE3-CE2 3.83Å; W288-Y326 AromaticContact CE3-CG 3.82Å; W288-Y326 HydrophobicContact CE3-CG 3.82Å; W288-Y326 AromaticContact CE3-CZ 3.94Å; W288-Y326 AromaticContact CG-CD2 3.63Å; W288-Y326 HydrophobicContact CG-CD2 3.63Å; W288-Y326 AromaticContact CG-CE2 3.72Å; W288-Y326 HydrophobicContact CG-CE2 3.72Å; W288-Y326 HydrophobicContact CG-CG 4.45Å; W288-Y326 AromaticContact CH2-CD1 3.93Å; W288-Y326 HydrophobicContact CH2-CD1 3.93Å; W288-Y326 HydrophobicContact CH2-CD2 4.43Å; W288-Y326 AromaticContact CH2-CG 3.78Å; W288-Y326 HydrophobicContact CH2-CG 3.78Å; W288-Y326 HydrophobicContact CZ2-CD1 4.37Å; W288-Y326 HydrophobicContact CZ2-CD2 4.15Å; W288-Y326 AromaticContact CZ2-CG 3.75Å; W288-Y326 HydrophobicContact CZ2-CG 3.75Å; W288-Y326 AromaticContact CZ3-CD1 3.69Å; W288-Y326 HydrophobicContact CZ3-CD1 3.69Å; W288-Y326 HydrophobicContact CZ3-CD2 4.26Å; W288-Y326 HydrophobicContact CZ3-CE1 4.05Å; W288-Y326 AromaticContact CZ3-CG 3.82Å; W288-Y326 HydrophobicContact CZ3-CG 3.82Å; W288-Y326 AromaticContact NE1-CD2 3.89Å; A293-Y326 VanDerWaalsContact CB-OH 3.31Å; A293-Y326 WeakPolarHBondContact CB-OH 3.32Å; F296-Y326 HydrophobicContact CB-CE1 4.33Å; F296-Y326 AromaticContact CD1-CD1 3.85Å; F296-Y326 HydrophobicContact CD1-CD1 3.85Å; F296-Y326 AromaticContact CD1-CE1 3.62Å; F296-Y326 HydrophobicContact CD1-CE1 3.62Å; F296-Y326 HydrophobicContact CD2-CD1 4.21Å; F296-Y326 AromaticContact CE1-CD1 3.96Å; F296-Y326 HydrophobicContact CE1-CD1 3.96Å; F296-Y326 HydrophobicContact CE1-CE1 4.06Å; F296-Y326 HydrophobicContact CE2-CD1 4.31Å; F296-Y326 AromaticContact CG-CD1 3.98Å; F296-Y326 HydrophobicContact CG-CD1 3.98Å; F296-Y326 AromaticContact CG-CE1 3.92Å; F296-Y326 HydrophobicContact CG-CE1 3.92Å; F296-Y326 HydrophobicContact CZ-CD1 4.19Å; S322-Y326 VanDerWaalsContact O-CB 3.27Å; S322-Y326 WeakPolarHBondContact O-CB 3.44Å; S322-Y326 PolarHBondContact O-N 3.31Å; Y326-Y328 VanDerWaalsContact C-N 3.33Å; Y326-Y328 PolarHBondContact O-N 2.98Å; Y326-M329 PolarHBondContact O-N 3.21Å; Y326-W330 HydrophobicContact CD1-CB 4.13Å; Y326-W330 HydrophobicContact CE1-CB 3.82Å; Y326-W330 AromaticContact CE1-CD1 3.97Å; Y326-W330 HydrophobicContact CE1-CG 4.05Å; Y326-W330 WeakPolarHBondContact O-CB 3.36Å; Y326-W330 PolarHBondContact O-N 2.97Å
327Y97.5Very high94.8Very high12 Ų1263.5 Ų63.55%0.04731%0.308CS..Hα-helixtrans-56.2-43.6177.5172.2-113.1000113.3F296 L300 K305 F307 I323 I324 E325 K331F296-Y327 HydrophobicContact CE1-CD2 4.43Å; F296-Y327 AromaticContact CZ-CD2 3.91Å; F296-Y327 HydrophobicContact CZ-CD2 3.91Å; F296-Y327 HydrophobicContact CZ-CG 4.35Å; L300-Y327 HydrophobicContact CD1-CD2 4.01Å; L300-Y327 HydrophobicContact CD1-CE2 3.98Å; L300-Y327 HydrophobicContact CD2-CE2 4.42Å; K305-Y327 WeakPolarHBondContact CD-OH 3.37Å; K305-Y327 WeakPolarHBondContact CE-OH 3.34Å; K305-Y327 PolarHBondContact NZ-OH 2.67Å; F307-Y327 HydrophobicContact CE1-CD1 4.06Å; F307-Y327 AromaticContact CE1-CD2 3.83Å; F307-Y327 HydrophobicContact CE1-CD2 3.83Å; F307-Y327 HydrophobicContact CE1-CE2 4.38Å; F307-Y327 AromaticContact CE1-CG 3.62Å; F307-Y327 HydrophobicContact CE1-CG 3.62Å; F307-Y327 HydrophobicContact CE2-CD1 4.3Å; F307-Y327 HydrophobicContact CE2-CE1 4.41Å; F307-Y327 AromaticContact CZ-CD1 3.47Å; F307-Y327 HydrophobicContact CZ-CD1 3.47Å; F307-Y327 VanDerWaalsContact CZ-CD1 3.47Å; F307-Y327 AromaticContact CZ-CD2 3.81Å; F307-Y327 HydrophobicContact CZ-CD2 3.81Å; F307-Y327 AromaticContact CZ-CE1 3.69Å; F307-Y327 HydrophobicContact CZ-CE1 3.69Å; F307-Y327 HydrophobicContact CZ-CE2 4.01Å; F307-Y327 AromaticContact CZ-CG 3.51Å; F307-Y327 HydrophobicContact CZ-CG 3.51Å; F307-Y327 AromaticContact CZ-CZ 3.94Å; I323-Y327 WeakPolarHBondContact O-CB 3.47Å; I323-Y327 PolarHBondContact O-N 3.37Å; I324-Y327 WeakPolarHBondContact O-CB 3.23Å; I324-Y327 PolarHBondContact O-N 2.95Å; E325-Y327 VanDerWaalsContact C-N 3.32Å; E325-Y327 PolarHBondContact O-N 3.02Å; Y327-K331 HydrophobicContact CD1-CD 4.15Å; Y327-K331 HydrophobicContact CD2-CD 4.17Å; Y327-K331 HydrophobicContact CD2-CG 4.45Å; Y327-K331 HydrophobicContact CE1-CD 3.61Å; Y327-K331 HydrophobicContact CE2-CD 3.64Å; Y327-K331 HydrophobicContact CE2-CG 4.12Å; Y327-K331 HydrophobicContact CG-CD 4.43Å; Y327-K331 WeakPolarHBondContact O-CB 3.35Å; Y327-K331 VanDerWaalsContact O-CG 3.3Å; Y327-K331 WeakPolarHBondContact O-CG 3.29Å; Y327-K331 PolarHBondContact O-N 3.47Å
328Y97.7Very high94.2Very high142 Ų14261.6 Ų61.656%0.55731%0.306SS*.Hα-helixtrans-71.1-33.4-178.4-82.1-79.5000112.5I324 E325 Y326I324-Y328 HydrophobicContact CG2-CD2 4.03Å; I324-Y328 HydrophobicContact CG2-CE2 3.97Å; I324-Y328 VanDerWaalsContact O-CD2 3.27Å; I324-Y328 WeakPolarHBondContact O-CD2 3.43Å; I324-Y328 PolarHBondContact O-N 3.3Å; E325-Y328 PolarHBondContact O-N 2.79Å; E325-Y328 VanDerWaalsContact O-N 3.12Å; Y326-Y328 VanDerWaalsContact C-N 3.33Å; Y326-Y328 PolarHBondContact O-N 2.98Å
329M95.5Very high93.6Very high45 Ų4563.1 Ų63.122%0.22231%0.313CS..Hα-helixtrans-77.3-46.6175.3-62.6-179.6179.300112.7R247 D283 M285 E325 Y326 K331 T332R247-M329 PolarHBondContact NH2-SD 3.47Å; D283-M329 HydrophobicContact CB-CE 3.81Å; D283-M329 HydrophobicContact CB-SD 3.92Å; M285-M329 HydrophobicContact CB-CB 3.67Å; M285-M329 HydrophobicContact CB-CG 4.32Å; M285-M329 HydrophobicContact CB-SD 3.71Å; M285-M329 HydrophobicContact CG-CB 4.02Å; M285-M329 HydrophobicContact SD-CB 4.25Å; E325-M329 HydrophobicContact CG-CE 3.62Å; E325-M329 HydrophobicContact CG-SD 4.24Å; E325-M329 PolarHBondContact O-N 2.88Å; E325-M329 VanDerWaalsContact O-N 3.14Å; E325-M329 WeakPolarHBondContact OE1-CE 3.45Å; Y326-M329 PolarHBondContact O-N 3.21Å; M329-K331 PolarHBondContact O-N 2.8Å; M329-K331 VanDerWaalsContact O-N 3.11Å; M329-T332 PolarHBondContact O-N 3Å; M329-T332 PolarHBondContact O-OG1 2.99Å
330W94.9Very high93.1Very high10 Ų1066.6 Ų66.64%0.03832%0.322CS..Hα-helixtrans-55.6-31.5175.7173.491.4000112.1M285 F296 E297 L300 Y326 T332 T333 Y336M285-W330 HydrophobicContact SD-CB 4.11Å; F296-W330 HydrophobicContact CE1-CD2 4.09Å; F296-W330 HydrophobicContact CE1-CE3 4.1Å; F296-W330 HydrophobicContact CE1-CG 4.34Å; E297-W330 HydrophobicContact CG-CZ2 3.69Å; E297-W330 PolarHBondContact OE1-NE1 3.19Å; L300-W330 HydrophobicContact CD2-CE3 4.3Å; L300-W330 HydrophobicContact CD2-CH2 3.47Å; L300-W330 VanDerWaalsContact CD2-CH2 3.47Å; L300-W330 HydrophobicContact CD2-CZ2 4.46Å; L300-W330 HydrophobicContact CD2-CZ3 3.37Å; Y326-W330 HydrophobicContact CD1-CB 4.13Å; Y326-W330 HydrophobicContact CE1-CB 3.82Å; Y326-W330 AromaticContact CE1-CD1 3.97Å; Y326-W330 HydrophobicContact CE1-CG 4.05Å; Y326-W330 WeakPolarHBondContact O-CB 3.36Å; Y326-W330 PolarHBondContact O-N 2.97Å; W330-T332 PolarHBondContact O-N 3.45Å; W330-T332 VanDerWaalsContact O-N 3.15Å; W330-T333 WeakPolarHBondContact O-CB 3.35Å; W330-T333 VanDerWaalsContact O-CG2 3.29Å; W330-T333 WeakPolarHBondContact O-CG2 3.36Å; W330-T333 PolarHBondContact O-N 2.84Å; W330-T333 PolarHBondContact O-OG1 2.88Å; W330-Y336 HydrophobicContact CE3-CD2 4.09Å; W330-Y336 HydrophobicContact CE3-CG 4.36Å; W330-Y336 AromaticContact CH2-CD2 3.47Å; W330-Y336 HydrophobicContact CH2-CD2 3.47Å; W330-Y336 VanDerWaalsContact CH2-CD2 3.47Å; W330-Y336 HydrophobicContact CH2-CE2 4.29Å; W330-Y336 HydrophobicContact CH2-CG 4.23Å; W330-Y336 HydrophobicContact CZ2-CD2 4.39Å; W330-Y336 AromaticContact CZ3-CD2 3.27Å; W330-Y336 HydrophobicContact CZ3-CD2 3.27Å; W330-Y336 AromaticContact CZ3-CE2 3.87Å; W330-Y336 HydrophobicContact CZ3-CE2 3.87Å; W330-Y336 AromaticContact CZ3-CG 3.96Å; W330-Y336 HydrophobicContact CZ3-CG 3.96Å
331K94.9Very high92.6Very high57 Ų5772 Ų7225%0.24834%0.338CS..THydrogen-bonded Turntrans-63.2-8.3172.4-90.1175.544.7-87.80116.2Y327 M329 Y336Y327-K331 HydrophobicContact CD1-CD 4.15Å; Y327-K331 HydrophobicContact CD2-CD 4.17Å; Y327-K331 HydrophobicContact CD2-CG 4.45Å; Y327-K331 HydrophobicContact CE1-CD 3.61Å; Y327-K331 HydrophobicContact CE2-CD 3.64Å; Y327-K331 HydrophobicContact CE2-CG 4.12Å; Y327-K331 HydrophobicContact CG-CD 4.43Å; Y327-K331 WeakPolarHBondContact O-CB 3.35Å; Y327-K331 VanDerWaalsContact O-CG 3.3Å; Y327-K331 WeakPolarHBondContact O-CG 3.29Å; Y327-K331 PolarHBondContact O-N 3.47Å; M329-K331 PolarHBondContact O-N 2.8Å; M329-K331 VanDerWaalsContact O-N 3.11Å; K331-Y336 HydrophobicContact CB-CD1 4.18Å; K331-Y336 HydrophobicContact CB-CE1 4.15Å; K331-Y336 HydrophobicContact CG-CD1 4.13Å; K331-Y336 HydrophobicContact CG-CD2 4.5Å; K331-Y336 HydrophobicContact CG-CE1 3.82Å; K331-Y336 HydrophobicContact CG-CE2 4.23Å; K331-Y336 HydrophobicContact CG-CG 4.43Å; K331-Y336 WeakPolarHBondContact O-CD1 3.41Å
332T92.5Very high92.1Very high104 Ų10473 Ų7364%0.63834%0.338SS*.THydrogen-bonded Turntrans-99.2-5.8170.968.20000113M329 W330M329-T332 PolarHBondContact O-N 3Å; M329-T332 PolarHBondContact O-OG1 2.99Å; W330-T332 PolarHBondContact O-N 3.45Å; W330-T332 VanDerWaalsContact O-N 3.15Å
333T89.1Confident91.5Very high33 Ų3377.6 Ų77.620%0.20236%0.358CS..SBendtrans-65.5145.8178.465.10000112.4M285 W330 R335 Y336 V337M285-T333 HydrophobicContact CE-CG2 3.65Å; M285-T333 HydrophobicContact SD-CG2 4.25Å; W330-T333 WeakPolarHBondContact O-CB 3.35Å; W330-T333 VanDerWaalsContact O-CG2 3.29Å; W330-T333 WeakPolarHBondContact O-CG2 3.36Å; W330-T333 PolarHBondContact O-N 2.84Å; W330-T333 PolarHBondContact O-OG1 2.88Å; T333-R335 PolarHBondContact O-N 3.49Å; T333-Y336 PolarHBondContact O-N 3.31Å; T333-Y336 VanDerWaalsContact O-N 3.15Å; T333-Y336 PolarHBondContact OG1-N 2.99Å; T333-V337 WeakPolarHBondContact O-CG2 3.2Å; T333-V337 PolarHBondContact O-N 2.98Å
334D86.6Confident90.8Very high122 Ų12280.1 Ų80.165%0.65238%0.378SS*.Hα-helixtrans-54.9-35.4173-72.8-63000112.5V337 Q338D334-V337 PolarHBondContact O-N 2.98Å; D334-Q338 VanDerWaalsContact O-CB 3.27Å; D334-Q338 WeakPolarHBondContact O-CB 3.3Å; D334-Q338 WeakPolarHBondContact O-CG 3.42Å; D334-Q338 PolarHBondContact O-N 3.01Å
335R84.1Confident90.1Very high156 Ų15680.1 Ų80.159%0.58939%0.387SS*.Hα-helixtrans-59.2-50.6177.1-175.8171.7171.897.8-5.1111.4E297 T333 Q339E297-R335 VanDerWaalsContact OE1-CD 3.31Å; E297-R335 WeakPolarHBondContact OE1-CD 3.43Å; E297-R335 IonicContact OE1-CZ 3.47Å; E297-R335 IonicContact OE1-NE 3.56Å; E297-R335 PolarHBondContact OE1-NE 2.83Å; E297-R335 IonicContact OE2-CZ 2.71Å; E297-R335 IonicContact OE2-NE 3.84Å; E297-R335 PolarHBondContact OE2-NE 3.5Å; E297-R335 IonicContact OE2-NH2 2.74Å; E297-R335 PolarHBondContact OE2-NH2 3.04Å; T333-R335 PolarHBondContact O-N 3.49Å; R335-Q339 WeakPolarHBondContact O-CB 3.4Å; R335-Q339 PolarHBondContact O-N 3.17Å
336Y87.3Confident89.4Confident47 Ų4782.4 Ų82.418%0.18440%0.398CS..Hα-helixtrans-65.3-42.9174.3175-101.3000112.3W330 K331 T333 Q338 Q339 K340W330-Y336 HydrophobicContact CE3-CD2 4.09Å; W330-Y336 HydrophobicContact CE3-CG 4.36Å; W330-Y336 AromaticContact CH2-CD2 3.47Å; W330-Y336 HydrophobicContact CH2-CD2 3.47Å; W330-Y336 VanDerWaalsContact CH2-CD2 3.47Å; W330-Y336 HydrophobicContact CH2-CE2 4.29Å; W330-Y336 HydrophobicContact CH2-CG 4.23Å; W330-Y336 HydrophobicContact CZ2-CD2 4.39Å; W330-Y336 AromaticContact CZ3-CD2 3.27Å; W330-Y336 HydrophobicContact CZ3-CD2 3.27Å; W330-Y336 AromaticContact CZ3-CE2 3.87Å; W330-Y336 HydrophobicContact CZ3-CE2 3.87Å; W330-Y336 AromaticContact CZ3-CG 3.96Å; W330-Y336 HydrophobicContact CZ3-CG 3.96Å; K331-Y336 HydrophobicContact CB-CD1 4.18Å; K331-Y336 HydrophobicContact CB-CE1 4.15Å; K331-Y336 HydrophobicContact CG-CD1 4.13Å; K331-Y336 HydrophobicContact CG-CD2 4.5Å; K331-Y336 HydrophobicContact CG-CE1 3.82Å; K331-Y336 HydrophobicContact CG-CE2 4.23Å; K331-Y336 HydrophobicContact CG-CG 4.43Å; K331-Y336 WeakPolarHBondContact O-CD1 3.41Å; T333-Y336 PolarHBondContact O-N 3.31Å; T333-Y336 VanDerWaalsContact O-N 3.15Å; T333-Y336 PolarHBondContact OG1-N 2.99Å; Y336-Q338 PolarHBondContact O-N 2.83Å; Y336-Q339 PolarHBondContact O-N 3.16Å; Y336-K340 HydrophobicContact CE1-CB 4.47Å; Y336-K340 HydrophobicContact CE1-CD 4.03Å; Y336-K340 VanDerWaalsContact O-CB 3.31Å; Y336-K340 WeakPolarHBondContact O-CB 3.4Å; Y336-K340 PolarHBondContact O-N 3.36Å
337V88.8Confident88.5Confident43 Ų4384.6 Ų84.626%0.26142%0.418SS..Hα-helixtrans-62.9-41.4-179.2172.40000111.3T333 D334 R341T333-V337 WeakPolarHBondContact O-CG2 3.2Å; T333-V337 PolarHBondContact O-N 2.98Å; D334-V337 PolarHBondContact O-N 2.98Å; V337-R341 WeakPolarHBondContact O-CB 3.41Å; V337-R341 VanDerWaalsContact O-CG 3.27Å; V337-R341 WeakPolarHBondContact O-CG 3.29Å; V337-R341 PolarHBondContact O-N 2.95Å
338Q86.4Confident87.4Confident115 Ų11590.2 Ų90.254%0.53744%0.444SS..Hα-helixtrans-63.9-48.7172.8-72171.521.100111.2D334 Y336 K340 R341 L342D334-Q338 VanDerWaalsContact O-CB 3.27Å; D334-Q338 WeakPolarHBondContact O-CB 3.3Å; D334-Q338 WeakPolarHBondContact O-CG 3.42Å; D334-Q338 PolarHBondContact O-N 3.01Å; Y336-Q338 PolarHBondContact O-N 2.83Å; Q338-K340 VanDerWaalsContact C-N 3.28Å; Q338-K340 PolarHBondContact O-N 3.49Å; Q338-R341 PolarHBondContact O-N 3.31Å; Q338-R341 VanDerWaalsContact O-N 3.13Å; Q338-L342 WeakPolarHBondContact O-CG 3.37Å; Q338-L342 PolarHBondContact O-N 3.04Å
339Q85.1Confident86.3Confident61 Ų6188 Ų8829%0.28545%0.45SS..Hα-helixtrans-59-40.3178.4-156.4-157.65900112E301 R335 Y336 L342 K343E301-Q339 PolarHBondContact OE1-NE2 3.04Å; R335-Q339 WeakPolarHBondContact O-CB 3.4Å; R335-Q339 PolarHBondContact O-N 3.17Å; Y336-Q339 PolarHBondContact O-N 3.16Å; Q339-L342 PolarHBondContact O-N 3.43Å; Q339-K343 HydrophobicContact CG-CD 4.35Å; Q339-K343 WeakPolarHBondContact O-CB 3.19Å; Q339-K343 WeakPolarHBondContact O-CG 3.42Å; Q339-K343 PolarHBondContact O-N 3.25Å
340K86.9Confident85.7Confident126 Ų12690 Ų9055%0.54846%0.457SS..Hα-helixtrans-66.8-40.9175.4-173-175.4177.1-171.10112.2Y336 Q338 A344Y336-K340 HydrophobicContact CE1-CB 4.47Å; Y336-K340 HydrophobicContact CE1-CD 4.03Å; Y336-K340 VanDerWaalsContact O-CB 3.31Å; Y336-K340 WeakPolarHBondContact O-CB 3.4Å; Y336-K340 PolarHBondContact O-N 3.36Å; Q338-K340 VanDerWaalsContact C-N 3.28Å; Q338-K340 PolarHBondContact O-N 3.49Å; K340-A344 WeakPolarHBondContact O-CB 3.44Å; K340-A344 PolarHBondContact O-N 2.99Å
341R88.8Confident85.3Confident179 Ų17992.1 Ų92.168%0.67547%0.469SS*.Hα-helixtrans-62.8-42174.8-76172.2-177.5176.63.8111.6V337 Q338 A344 A345V337-R341 WeakPolarHBondContact O-CB 3.41Å; V337-R341 VanDerWaalsContact O-CG 3.27Å; V337-R341 WeakPolarHBondContact O-CG 3.29Å; V337-R341 PolarHBondContact O-N 2.95Å; Q338-R341 PolarHBondContact O-N 3.31Å; Q338-R341 VanDerWaalsContact O-N 3.13Å; R341-A344 PolarHBondContact O-N 3.31Å; R341-A345 PolarHBondContact O-N 3.27Å
342L87.1Confident85Confident128 Ų12895.5 Ų95.567%0.6748%0.483SS*.Hα-helixtrans-63.6-50.7175.9-68.5169.6000111.6Q338 Q339 A344 A345 E346Q338-L342 WeakPolarHBondContact O-CG 3.37Å; Q338-L342 PolarHBondContact O-N 3.04Å; Q339-L342 PolarHBondContact O-N 3.43Å; L342-A344 PolarHBondContact O-N 3.48Å; L342-A345 PolarHBondContact O-N 3.22Å; L342-E346 PolarHBondContact O-N 2.89Å
343K85.4Confident84.9Confident103 Ų10394.6 Ų94.645%0.44847%0.472SS..Hα-helixtrans-61-29.2176.3-71.6172.6178.7172.30112.2E301 Q339 A347E301-K343 IonicContact OE1-NZ 3Å; E301-K343 PolarHBondContact OE1-NZ 3.47Å; E301-K343 VanDerWaalsContact OE1-NZ 3.08Å; Q339-K343 HydrophobicContact CG-CD 4.35Å; Q339-K343 WeakPolarHBondContact O-CB 3.19Å; Q339-K343 WeakPolarHBondContact O-CG 3.42Å; Q339-K343 PolarHBondContact O-N 3.25Å; K343-A347 WeakPolarHBondContact O-CB 3.32Å; K343-A347 PolarHBondContact O-N 2.82Å
344A83Confident85.1Confident52 Ų5293.9 Ų93.943%0.4347%0.468SS..Hα-helixtrans-72.9-46.3172.700000112.9K340 R341 L342 E346 A347 E348K340-A344 WeakPolarHBondContact O-CB 3.44Å; K340-A344 PolarHBondContact O-N 2.99Å; R341-A344 PolarHBondContact O-N 3.31Å; L342-A344 PolarHBondContact O-N 3.48Å; A344-E346 VanDerWaalsContact C-N 3.3Å; A344-E346 PolarHBondContact O-N 3.09Å; A344-A347 WeakPolarHBondContact O-CB 3.3Å; A344-A347 PolarHBondContact O-N 3.42Å; A344-A347 VanDerWaalsContact O-N 3.12Å; A344-E348 WeakPolarHBondContact O-CG 3.48Å; A344-E348 PolarHBondContact O-N 3.01Å
345A85.4Confident85.3Confident60 Ų6095 Ų9550%0.49646%0.463SS..Hα-helixtrans-62.2-37.6176.200000112.1R341 L342 E348 S349R341-A345 PolarHBondContact O-N 3.27Å; L342-A345 PolarHBondContact O-N 3.22Å; A345-E348 PolarHBondContact O-N 3.04Å; A345-S349 PolarHBondContact O-N 2.85Å; A345-S349 VanDerWaalsContact O-N 3.1Å
346E83.4Confident85.6Confident129 Ų12988.2 Ų88.260%0.60344%0.439SS*.Hα-helixtrans-59.8-46.9170.8-170.3-166.716000111.4L342 A344 E348 S349L342-E346 PolarHBondContact O-N 2.89Å; A344-E346 VanDerWaalsContact C-N 3.3Å; A344-E346 PolarHBondContact O-N 3.09Å; E346-E348 VanDerWaalsContact C-N 3.32Å; E346-E348 PolarHBondContact O-N 2.87Å; E346-S349 WeakPolarHBondContact O-CB 3.17Å; E346-S349 PolarHBondContact O-N 3.45Å; E346-S349 PolarHBondContact O-OG 3.07Å
347A77.5Confident85.6Confident53 Ų5390.4 Ų90.444%0.43846%0.459SS..Hα-helixtrans-63.7-33.9176.300000113.1K343 A344 S349 K350K343-A347 WeakPolarHBondContact O-CB 3.32Å; K343-A347 PolarHBondContact O-N 2.82Å; A344-A347 WeakPolarHBondContact O-CB 3.3Å; A344-A347 PolarHBondContact O-N 3.42Å; A344-A347 VanDerWaalsContact O-N 3.12Å; A347-S349 VanDerWaalsContact C-N 3.32Å; A347-K350 WeakPolarHBondContact O-CB 3.36Å; A347-K350 PolarHBondContact O-N 3.16Å
348E75.4Confident85.2Confident130 Ų13093.4 Ų93.461%0.60747%0.474SS*.Hα-helixtrans-70.3-26.2174.9-68.6-136.394.900113.7A344 A345 E346 K350 K352A344-E348 WeakPolarHBondContact O-CG 3.48Å; A344-E348 PolarHBondContact O-N 3.01Å; A345-E348 PolarHBondContact O-N 3.04Å; E346-E348 VanDerWaalsContact C-N 3.32Å; E346-E348 PolarHBondContact O-N 2.87Å; E348-K350 PolarHBondContact O-N 2.79Å; E348-K352 IonicContact OE1-NZ 2.78Å; E348-K352 PolarHBondContact OE1-NZ 3Å
349S74.8Confident84.8Confident96 Ų9694 Ų9467%0.67147%0.472SS*.THydrogen-bonded Turntrans-70.9-14175.481.60000113.9A345 E346 A347A345-S349 PolarHBondContact O-N 2.85Å; A345-S349 VanDerWaalsContact O-N 3.1Å; E346-S349 WeakPolarHBondContact O-CB 3.17Å; E346-S349 PolarHBondContact O-N 3.45Å; E346-S349 PolarHBondContact O-OG 3.07Å; A347-S349 VanDerWaalsContact C-N 3.32Å
350K81.9Confident84.1Confident87 Ų8798 Ų9838%0.37850%0.495SS..SBendtrans-67151.8178.2-63.8-176173.3-174.10111.7E29 A347 E348 K352E29-K350 IonicContact OE1-NZ 2.68Å; E29-K350 PolarHBondContact OE1-NZ 3.04Å; A347-K350 WeakPolarHBondContact O-CB 3.36Å; A347-K350 PolarHBondContact O-N 3.16Å; E348-K350 PolarHBondContact O-N 2.79Å; K350-K352 PolarHBondContact O-N 2.9Å; K350-K352 VanDerWaalsContact O-N 3.1Å
351L85.9Confident83.6Confident54 Ų5499 Ų9928%0.28350%0.5SS..BIsolated β-bridgetrans-67.3113.5-178.7-72.2174.6000110.7L30 K32 V38 Q353L30-L351 HydrophobicContact CB-CB 3.77Å; L30-L351 WeakPolarHBondContact CB-O 3.35Å; L30-L351 PolarHBondContact O-N 3.33Å; K32-L351 HydrophobicContact CB-CD1 3.86Å; K32-L351 HydrophobicContact CB-CG 4.42Å; K32-L351 HydrophobicContact CG-CD1 4.49Å; V38-L351 HydrophobicContact CB-CD1 4.39Å; V38-L351 HydrophobicContact CG1-CD1 3.79Å; V38-L351 HydrophobicContact CG2-CD1 3.65Å; L351-Q353 VanDerWaalsContact C-N 3.35Å
352K89.6Confident82.9Confident127 Ų12796 Ų9655%0.55250%0.503SS*.SBendtrans-79.8-19.4171.7-59.1179.1-175.8177.70111.8V8 E348 K350V8-K352 PolarHBondContact N-O 3.15Å; E348-K352 IonicContact OE1-NZ 2.78Å; E348-K352 PolarHBondContact OE1-NZ 3Å; K350-K352 PolarHBondContact O-N 2.9Å; K350-K352 VanDerWaalsContact O-N 3.1Å
353Q90.8Very high82.6Confident85 Ų8591.6 Ų91.640%0.39748%0.48SS..EExtended strand (participates in β ladder)trans-154158.9178.368.2-174.23.300113.6M5 Y6 R7 L351M5-Q353 PolarHBondContact SD-OE1 3.24Å; M5-Q353 VanDerWaalsContact SD-OE1 3.32Å; Y6-Q353 CarbonylContact O-C 3.58Å; Y6-Q353 WeakPolarHBondContact O-CA 3.43Å; Y6-Q353 WeakPolarHBondContact O-CB 3.46Å; R7-Q353 HydrophobicContact CG-CB 3.85Å; R7-Q353 VanDerWaalsContact CZ-OE1 3.3Å; L351-Q353 VanDerWaalsContact C-N 3.35Å
354V92.6Very high82.5Confident19 Ų1991.4 Ų91.412%0.11549%0.489CS..EExtended strand (participates in β ladder)trans-138.9143.9176.964.40000111.2Y6 L30 V38 I356Y6-V354 PolarHBondContact N-O 3.17Å; Y6-V354 PolarHBondContact O-N 2.74Å; L30-V354 HydrophobicContact CD1-CB 4.13Å; L30-V354 HydrophobicContact CD1-CG1 3.85Å; L30-V354 HydrophobicContact CD2-CG1 4Å; V38-V354 HydrophobicContact CB-CG2 4.21Å; V38-V354 HydrophobicContact CG1-CB 4.39Å; V38-V354 HydrophobicContact CG1-CG2 4.05Å; V38-V354 HydrophobicContact CG2-CG2 4.18Å; V354-I356 HydrophobicContact CG1-CD1 4.21Å; V354-I356 HydrophobicContact CG1-CG1 4.27Å; V354-I356 HydrophobicContact CG2-CG1 4.3Å
355Y91.9Very high82.6Confident144 Ų14490 Ų9057%0.56548%0.475SS*.EExtended strand (participates in β ladder)trans-102.1134.7170.3178.2-92.7000110.2N4 P357N4-Y355 HydrophobicContact CB-CD2 3.94Å; N4-Y355 HydrophobicContact CB-CE2 3.43Å; N4-Y355 VanDerWaalsContact CB-CE2 3.43Å; N4-Y355 WeakPolarHBondContact O-CA 3.49Å; Y355-P357 HydrophobicContact CD1-CG 4.44Å; Y355-P357 HydrophobicContact CE1-CG 4.09Å
356I90.2Very high82.6Confident14 Ų1491.3 Ų91.37%0.07247%0.471CS..  trans-126.5111.9-175.2-54.9176.3000109.4N4 Y6 A119 I122 V354N4-I356 VanDerWaalsContact CB-O 3.29Å; N4-I356 WeakPolarHBondContact CB-O 3.33Å; N4-I356 PolarHBondContact O-N 2.88Å; Y6-I356 HydrophobicContact CD2-CB 4.24Å; Y6-I356 HydrophobicContact CD2-CD1 3.58Å; Y6-I356 HydrophobicContact CD2-CG1 3.89Å; Y6-I356 HydrophobicContact CE2-CB 4.02Å; Y6-I356 HydrophobicContact CE2-CD1 3.9Å; Y6-I356 HydrophobicContact CE2-CG1 4.17Å; Y6-I356 HydrophobicContact CG-CD1 4.28Å; A119-I356 HydrophobicContact CB-CD1 4.27Å; A119-I356 VanDerWaalsContact O-CD1 3.3Å; A119-I356 WeakPolarHBondContact O-CD1 3.21Å; I122-I356 HydrophobicContact CB-CD1 3.81Å; I122-I356 HydrophobicContact CD1-CD1 3.89Å; I122-I356 HydrophobicContact CG1-CD1 4.35Å; I122-I356 HydrophobicContact CG2-CD1 4.3Å; V354-I356 HydrophobicContact CG1-CD1 4.21Å; V354-I356 HydrophobicContact CG1-CG1 4.27Å; V354-I356 HydrophobicContact CG2-CG1 4.3Å
357P86.4Confident82.7Confident93 Ų9388 Ų8860%0.60446%0.457SS*.  trans-59.7154.8178.5-24.534000114.2Y355 Y359Y355-P357 HydrophobicContact CD1-CG 4.44Å; Y355-P357 HydrophobicContact CE1-CG 4.09Å; P357-Y359 PolarHBondContact O-N 3.42Å
358N81Confident82.6Confident107 Ų10789.6 Ų89.657%0.57246%0.464SS*.  trans-57.4132.7177.3-73-5.8000111.9N4 N360N4-N358 PolarHBondContact ND2-OD1 3.24Å; N4-N358 PolarHBondContact OD1-OD1 2.82Å; N358-N360 WeakPolarHBondContact CB-OD1 3.44Å; N358-N360 PolarHBondContact O-N 3.4Å
359Y77.4Confident81.9Confident126 Ų12688 Ų8849%0.49446%0.464SS..  trans-82.879-177.8-166.6-95.4000111.7P357 K361P357-Y359 PolarHBondContact O-N 3.42Å; Y359-K361 HydrophobicContact CD1-CB 4.3Å; Y359-K361 HydrophobicContact CE1-CB 3.78Å; Y359-K361 HydrophobicContact CE1-CD 4.46Å; Y359-K361 HydrophobicContact CE1-CG 4.21Å; Y359-K361 PolarHBondContact O-N 2.89Å; Y359-K361 VanDerWaalsContact O-N 3.09Å
360N71.1Confident80.6Confident146 Ų14690.8 Ų90.878%0.78147%0.471SS*.  trans-79.621-171.8-64.7-8000115.2N358N358-N360 WeakPolarHBondContact CB-OD1 3.44Å; N358-N360 PolarHBondContact O-N 3.4Å
361K76Confident78.8Confident148 Ų14893.2 Ų93.264%0.64349%0.488SS*.SBendtrans-79.6139.8176.2-65-162.6-178.8-1730110.7Y359 N363Y359-K361 HydrophobicContact CD1-CB 4.3Å; Y359-K361 HydrophobicContact CE1-CB 3.78Å; Y359-K361 HydrophobicContact CE1-CD 4.46Å; Y359-K361 HydrophobicContact CE1-CG 4.21Å; Y359-K361 PolarHBondContact O-N 2.89Å; Y359-K361 VanDerWaalsContact O-N 3.09Å; K361-N363 PolarHBondContact O-N 2.93Å
362P74Confident76.8Confident115 Ų11597.2 Ų97.275%0.74751%0.514SS*.PPolyproline II helixtrans-61.3134.9178.525.4-34.1000111.1
363N80.7Confident74.1Confident36 Ų36100.4 Ų100.419%0.19353%0.528CS..PPolyproline II helixtrans-74.1121.2178.61752000109.1K361 N365 Q366 Y405 W421K361-N363 PolarHBondContact O-N 2.93Å; N363-N365 PolarHBondContact O-N 2.75Å; N363-N365 PolarHBondContact OD1-N 2.78Å; N363-N365 PolarHBondContact OD1-ND2 2.76Å; N363-N365 VanDerWaalsContact OD1-ND2 3.08Å; N363-Q366 HydrophobicContact CB-CB 4.32Å; N363-Q366 WeakPolarHBondContact O-CB 3.44Å; N363-Q366 PolarHBondContact O-N 3.33Å; N363-Y405 HydrophobicContact CB-CE1 4.4Å; N363-Y405 WeakPolarHBondContact ND2-CD1 3.32Å; N363-Y405 VanDerWaalsContact ND2-CE1 3.32Å; N363-Y405 WeakPolarHBondContact ND2-CE1 3.49Å; N363-W421 WeakPolarHBondContact ND2-CZ2 3.36Å; N363-W421 PolarHBondContact ND2-NE1 3.01Å
364P83.6Confident71.4Confident98 Ų98100.6 Ų100.664%0.63654%0.544SS*.THydrogen-bonded Turntrans-65.1-13.8-177.627.1-36.1000114S18S18-P364 VanDerWaalsContact OG-CG 3.31Å; S18-P364 WeakPolarHBondContact OG-CG 3.46Å
365N84.8Confident68.5Low24 Ų24103 Ų10313%0.12857%0.573CS.*THydrogen-bonded Turntrans-90.53.5174.2-49.4-79.6000112.6S19 N363 I367 Y405 S406 W421S19-N365 PolarHBondContact OG-ND2 3.15Å; S19-N365 PolarHBondContact OG-OD1 2.95Å; N363-N365 PolarHBondContact O-N 2.75Å; N363-N365 PolarHBondContact OD1-N 2.78Å; N363-N365 PolarHBondContact OD1-ND2 2.76Å; N363-N365 VanDerWaalsContact OD1-ND2 3.08Å; N365-I367 PolarHBondContact O-N 3.42Å; N365-Y405 CarbonylContact O-C 3.28Å; N365-Y405 WeakPolarHBondContact O-CA 3.34Å; N365-S406 WeakPolarHBondContact CA-OG 3.39Å; N365-S406 PolarHBondContact O-N 2.93Å; N365-S406 PolarHBondContact O-OG 2.87Å; N365-W421 HydrophobicContact CB-CH2 3.57Å; N365-W421 HydrophobicContact CB-CZ2 4.09Å; N365-W421 HydrophobicContact CB-CZ3 4.18Å
366Q86.2Confident65.8Low86 Ų86102.9 Ų102.940%0.40259%0.587SS.*EExtended strand (participates in β ladder)trans-78.7118.6-179-169.6173.3-13.500111N363 S368 Q403 Y405N363-Q366 HydrophobicContact CB-CB 4.32Å; N363-Q366 WeakPolarHBondContact O-CB 3.44Å; N363-Q366 PolarHBondContact O-N 3.33Å; Q366-S368 PolarHBondContact O-N 3.46Å; Q366-Q403 HydrophobicContact CG-CG 3.94Å; Q366-Y405 HydrophobicContact CB-CD1 4.1Å; Q366-Y405 HydrophobicContact CB-CE1 3.89Å; Q366-Y405 HydrophobicContact CG-CD1 4.44Å; Q366-Y405 HydrophobicContact CG-CE1 3.93Å
367I84.3Confident63.2Low61 Ų61108.6 Ų108.631%0.31362%0.622SS.*EExtended strand (participates in β ladder)trans-81.9114.5179.4-60.4170.4000108.7N365 Q403 W404 R415N365-I367 PolarHBondContact O-N 3.42Å; I367-Q403 PolarHBondContact O-NE2 3.43Å; I367-W404 HydrophobicContact CB-CB 4.12Å; I367-W404 HydrophobicContact CD1-CB 4.17Å; I367-W404 PolarHBondContact N-O 3.02Å; I367-R415 HydrophobicContact CD1-CB 4.03Å
368S75.4Confident60.7Low85 Ų85112.5 Ų112.559%0.59464%0.638SS**  trans-70.7129.9172-177.20000110.6Q366 N370Q366-S368 PolarHBondContact O-N 3.46Å; S368-N370 VanDerWaalsContact C-N 3.35Å
369V61.2Low58.4Low98 Ų98110.5 Ų110.559%0.59464%0.643SS**THydrogen-bonded Turntrans-76.2-25.1-178.4-173.60000111.7N371V369-N371 PolarHBondContact O-N 2.99Å
370N48.6Very low56.6Low153 Ų153112 Ų11282%0.81867%0.665SS**THydrogen-bonded Turntrans-84.54.9-167.6-72.819.6000115.6S368S368-N370 VanDerWaalsContact C-N 3.35Å
371N42.5Very low54.6Low138 Ų138108.6 Ų108.674%0.73866%0.664SS**  trans-116.232.5-169.2-143.815.4000115.1V369 K373V369-N371 PolarHBondContact O-N 2.99Å; N371-K373 VanDerWaalsContact C-N 3.31Å; N371-K373 PolarHBondContact O-N 3.2Å
372V43.7Very low52.5Low139 Ų139106.2 Ų106.284%0.84267%0.672SS**  trans-84.975.3166.9-172.30000109.2A374V372-A374 PolarHBondContact O-N 2.99Å
373K33.3Very low50.7Low193 Ų193107.3 Ų107.384%0.83968%0.679SS**  trans-77.3119.3168.6-137.9179.8-172-177.20108.2N371 G375N371-K373 VanDerWaalsContact C-N 3.31Å; N371-K373 PolarHBondContact O-N 3.2Å; K373-G375 PolarHBondContact O-N 3.21Å
374A34.6Very low48.6Very low89 Ų89108.6 Ų108.674%0.73670%0.701SS**  trans-64104.5-179.600000111.1V372 V376V372-A374 PolarHBondContact O-N 2.99Å; A374-V376 PolarHBondContact O-N 3.31Å; A374-V376 VanDerWaalsContact O-N 3.15Å
375G31.2Very low46.3Very low69 Ų69113.1 Ų113.171%0.71171%0.713SS**  trans-75.295.6170.200000110K373 V377K373-G375 PolarHBondContact O-N 3.21Å; G375-V377 PolarHBondContact O-N 2.95Å; G375-V377 VanDerWaalsContact O-N 3.08Å
376V36.1Very low43.6Very low143 Ų143117.3 Ų117.387%0.86774%0.744SS**  trans-68.1104.3171.8-1800000108.4A374A374-V376 PolarHBondContact O-N 3.31Å; A374-V376 VanDerWaalsContact O-N 3.15Å
377V35.1Very low41.2Very low134 Ų134120 Ų12081%0.81277%0.769SS**  trans-110.8125.1170.2-1740000107.5G375 G379G375-V377 PolarHBondContact O-N 2.95Å; G375-V377 VanDerWaalsContact O-N 3.08Å; V377-G379 PolarHBondContact O-N 3.36Å
378N34.2Very low39Very low175 Ų175120.5 Ų120.594%0.93679%0.789SS**  trans-75.2124.1-172.3-158.910000110.6
379G32Very low37.6Very low65 Ų65121.2 Ų121.267%0.6780%0.801SS**  trans175.1128.5-178.500000112.3V377V377-G379 PolarHBondContact O-N 3.36Å
380T40.4Very low37.7Very low158 Ų158118.6 Ų118.697%0.96979%0.793SS**  trans-71.9125.6-173.641.30000112.7
381G29.6Very low39.1Very low74 Ų74118 Ų11876%0.76378%0.78SS**  trans-145144175.400000111.3
382A31.4Very low41.2Very low97 Ų97113 Ų11380%0.80276%0.758SS**  trans-70.3150-172.300000113.4G384A382-G384 PolarHBondContact O-N 2.84Å
383P36.1Very low43.4Very low139 Ų139106.4 Ų106.490%0.90372%0.717SS**SBendtrans-73.2116-179.329.7-34.2000111.3
384G37.1Very low46.1Very low62 Ų6299.3 Ų99.364%0.63969%0.687SS**  trans169.928.7179.500000118.8A382A382-G384 PolarHBondContact O-N 2.84Å
385Q33.6Very low48.7Very low194 Ų19495.1 Ų95.191%0.90765%0.652SS**  trans-163.2126.8166-114.9144.2103.200113.3
386S29Very low51.5Low111 Ų11194.5 Ų94.578%0.77664%0.636SS**  trans-80.2124.2177.9-480000111.2G388S386-G388 PolarHBondContact O-N 3.47Å
387P35.2Very low53.9Low143 Ų14392.3 Ų92.393%0.92961%0.613SS**THydrogen-bonded Turntrans-79.238.1-174.633.5-37.4000114.2
388G39.2Very low56.4Low71 Ų7188 Ų8873%0.73259%0.588SS**THydrogen-bonded Turntrans-104-19.8-172.800000116.4S386 G390S386-G388 PolarHBondContact O-N 3.47Å; G388-G390 PolarHBondContact O-N 2.98Å; G388-G390 VanDerWaalsContact O-N 3.15Å
389A45.7Very low58.9Low101 Ų10184.4 Ų84.484%0.83557%0.572SS**  trans-89.278.6-170.500000113.1
390G63.2Low61.6Low42 Ų4288.9 Ų88.943%0.43358%0.575SS.*  trans-59.2137.1172.800000112.5G388 R415G388-G390 PolarHBondContact O-N 2.98Å; G388-G390 VanDerWaalsContact O-N 3.15Å; G390-R415 VanDerWaalsContact C-NH2 3.26Å; G390-R415 PolarHBondContact O-NH2 2.84Å
391R77.3Confident63.9Low142 Ų14283 Ų8354%0.53654%0.541SS..  trans-40.2136.9-175-69-177.1175.2-135.80.4113.7R415R391-R415 PolarHBondContact O-NE 2.84Å; R391-R415 PolarHBondContact O-NH2 2.81Å
392A87.3Confident66.9Low33 Ų3388.7 Ų88.727%0.27354%0.54SS..  trans-61.9159.8174.400000112.1E394 T398 T399A392-E394 PolarHBondContact O-N 3.3Å; A392-T398 WeakPolarHBondContact CA-O 3.39Å; A392-T399 HydrophobicContact CB-CG2 4.32Å
393C90.2Very high69.7Low0 Ų085.3 Ų85.30%051%0.508CS..  trans-61.9123.4174.3176.40000111.2S395 C396 Y397 T398 W404 C417C393-S395 PolarHBondContact O-N 2.84Å; C393-C396 PolarHBondContact O-N 3.05Å; C393-Y397 VanDerWaalsContact O-CA 3.3Å; C393-Y397 WeakPolarHBondContact O-CA 3.49Å; C393-Y397 PolarHBondContact O-N 2.92Å; C393-T398 HydrophobicContact CB-CG2 3.8Å; C393-T398 PolarHBondContact N-O 2.98Å; C393-W404 HydrophobicContact CB-CH2 4.25Å; C393-W404 HydrophobicContact CB-CZ3 3.93Å; C393-C417 HydrophobicContact CB-CB 4.12Å; C393-C417 PolarHBondContact SG-N 3.28Å
394E90.2Very high72.3Confident44 Ų4479.7 Ų79.721%0.20647%0.469CS..THydrogen-bonded Turntrans-61.3-18.4-176.3-56.3-68.9-17600114A392 C414 R415 L416A392-E394 PolarHBondContact O-N 3.3Å; E394-C414 HydrophobicContact CG-CB 3.86Å; E394-C414 PolarHBondContact OE1-SG 2.54Å; E394-R415 PolarHBondContact N-O 2.71Å; E394-L416 HydrophobicContact CB-CD2 4.24Å
395S88.8Confident74.9Confident0 Ų078.3 Ų78.30%045%0.445CS..THydrogen-bonded Turntrans-102.8-15.5-177.3-177.50000115.4C393 K431 M432C393-S395 PolarHBondContact O-N 2.84Å; S395-K431 PolarHBondContact OG-N 2.8Å; S395-M432 WeakPolarHBondContact O-CB 3.49Å; S395-M432 WeakPolarHBondContact O-CG 3.36Å
396C89.3Confident77.6Confident56 Ų5671.3 Ų71.338%0.37842%0.417SS..THydrogen-bonded Turntrans-149.92-177.270.50000114.7C393 T398C393-C396 PolarHBondContact O-N 3.05Å; C396-T398 PolarHBondContact O-N 2.84Å; C396-T398 VanDerWaalsContact SG-CG2 3.57Å
397Y87.4Confident80.4Confident97 Ų9768.9 Ų68.938%0.3839%0.391SS..  trans58.310.9176.9-53.5-74.7000116.7C393C393-Y397 VanDerWaalsContact O-CA 3.3Å; C393-Y397 WeakPolarHBondContact O-CA 3.49Å; C393-Y397 PolarHBondContact O-N 2.92Å
398T87.4Confident82.6Confident45 Ų4564.6 Ų64.628%0.27637%0.372SS..  trans-60.1141.7166.7-171.10000110.9A392 C393 C396 Q400 W404 C417A392-T398 WeakPolarHBondContact CA-O 3.39Å; C393-T398 HydrophobicContact CB-CG2 3.8Å; C393-T398 PolarHBondContact N-O 2.98Å; C396-T398 PolarHBondContact O-N 2.84Å; C396-T398 VanDerWaalsContact SG-CG2 3.57Å; T398-Q400 VanDerWaalsContact CG2-O 3.25Å; T398-Q400 WeakPolarHBondContact CG2-O 3.22Å; T398-Q400 PolarHBondContact OG1-N 2.81Å; T398-Q400 PolarHBondContact OG1-O 3.29Å; T398-W404 HydrophobicContact CG2-CH2 4.32Å; T398-C417 HydrophobicContact CG2-CB 3.7Å
399T87.6Confident84.4Confident98 Ų9864.3 Ų64.360%0.60136%0.358SS*.SBendtrans-95.4-7.1165.752.50000112.4A392 W404A392-T399 HydrophobicContact CB-CG2 4.32Å; T399-W404 WeakPolarHBondContact O-CZ2 3.38Å
400Q87.7Confident85.7Confident159 Ų15965.5 Ų65.574%0.74336%0.357SS*.  trans-111.5132.1-177.7-59.8-178.96.500111.4T398T398-Q400 VanDerWaalsContact CG2-O 3.25Å; T398-Q400 WeakPolarHBondContact CG2-O 3.22Å; T398-Q400 PolarHBondContact OG1-N 2.81Å; T398-Q400 PolarHBondContact OG1-O 3.29Å
401S89.4Confident86.2Confident35 Ų3570.1 Ų70.125%0.24537%0.372CS..  trans-163143.4170-160.90000110.4Q403 C417 A418S401-Q403 PolarHBondContact O-N 3.04Å; S401-Q403 PolarHBondContact OG-O 2.65Å; S401-C417 WeakPolarHBondContact OG-CB 3.21Å; S401-A418 PolarHBondContact OG-N 3.46Å; S401-A418 VanDerWaalsContact OG-N 3.11Å
402Y90.8Very high86.1Confident193 Ų19368.2 Ų68.276%0.75737%0.37SS*.SBendtrans-66.6-24.9174.769.5-96.1000112.8A418Y402-A418 HydrophobicContact CD1-CB 4.29Å; Y402-A418 HydrophobicContact CE1-CB 3.58Å; Y402-A418 HydrophobicContact CE2-CB 3.86Å; Y402-A418 WeakPolarHBondContact OH-CB 3.37Å
403Q90.3Very high85.8Confident27 Ų2773.5 Ų73.513%0.12639%0.389CS..SBendtrans-147.2138.9174.6-176.856.673.800110.5Q366 I367 S401 Y405 A418Q366-Q403 HydrophobicContact CG-CG 3.94Å; I367-Q403 PolarHBondContact O-NE2 3.43Å; S401-Q403 PolarHBondContact O-N 3.04Å; S401-Q403 PolarHBondContact OG-O 2.65Å; Q403-Y405 HydrophobicContact CB-CE2 4.22Å; Q403-Y405 HydrophobicContact CG-CD2 4.39Å; Q403-Y405 HydrophobicContact CG-CE1 4.17Å; Q403-Y405 HydrophobicContact CG-CE2 3.68Å; Q403-A418 HydrophobicContact CB-CB 4.33Å; Q403-A418 PolarHBondContact O-N 3.46Å; Q403-A418 VanDerWaalsContact O-N 3.1Å
404W91.2Very high85.6Confident20 Ų2074.3 Ų74.38%0.07640%0.395CS..EExtended strand (participates in β ladder)trans-107.8144.6175.6-68.194.7000111.5I367 C393 T398 T399 R415 C417I367-W404 HydrophobicContact CB-CB 4.12Å; I367-W404 HydrophobicContact CD1-CB 4.17Å; I367-W404 PolarHBondContact N-O 3.02Å; C393-W404 HydrophobicContact CB-CH2 4.25Å; C393-W404 HydrophobicContact CB-CZ3 3.93Å; T398-W404 HydrophobicContact CG2-CH2 4.32Å; T399-W404 WeakPolarHBondContact O-CZ2 3.38Å; W404-R415 HydrophobicContact CE3-CB 4.37Å; W404-R415 HydrophobicContact CE3-CG 3.76Å; W404-R415 HydrophobicContact CZ3-CG 4.05Å; W404-C417 HydrophobicContact CH2-CB 4.26Å; W404-C417 HydrophobicContact CZ3-CB 4.08Å
405Y91.2Very high85.6Confident33 Ų3374.3 Ų74.313%0.12939%0.393CS..EExtended strand (participates in β ladder)trans-126.3137.5175.5-61.2-85.8000110.8N363 N365 Q366 Q403 R415 L416 A418 W421N363-Y405 HydrophobicContact CB-CE1 4.4Å; N363-Y405 WeakPolarHBondContact ND2-CD1 3.32Å; N363-Y405 VanDerWaalsContact ND2-CE1 3.32Å; N363-Y405 WeakPolarHBondContact ND2-CE1 3.49Å; N365-Y405 CarbonylContact O-C 3.28Å; N365-Y405 WeakPolarHBondContact O-CA 3.34Å; Q366-Y405 HydrophobicContact CB-CD1 4.1Å; Q366-Y405 HydrophobicContact CB-CE1 3.89Å; Q366-Y405 HydrophobicContact CG-CD1 4.44Å; Q366-Y405 HydrophobicContact CG-CE1 3.93Å; Q403-Y405 HydrophobicContact CB-CE2 4.22Å; Q403-Y405 HydrophobicContact CG-CD2 4.39Å; Q403-Y405 HydrophobicContact CG-CE1 4.17Å; Q403-Y405 HydrophobicContact CG-CE2 3.68Å; Y405-R415 CarbonylContact O-C 3.52Å; Y405-R415 WeakPolarHBondContact O-CA 3.38Å; Y405-R415 WeakPolarHBondContact O-CB 3.4Å; Y405-L416 PolarHBondContact N-O 3.26Å; Y405-L416 PolarHBondContact O-N 3.33Å; Y405-A418 HydrophobicContact CE2-CB 4Å; Y405-W421 VanDerWaalsContact CB-CE3 3.4Å; Y405-W421 HydrophobicContact CD1-CD2 4.08Å; Y405-W421 HydrophobicContact CD1-CG 4.18Å; Y405-W421 HydrophobicContact CD2-CB 3.45Å; Y405-W421 VanDerWaalsContact CD2-CB 3.45Å; Y405-W421 AromaticContact CD2-CD1 3.76Å; Y405-W421 HydrophobicContact CD2-CD2 4.03Å; Y405-W421 AromaticContact CD2-CG 3.43Å; Y405-W421 HydrophobicContact CD2-CG 3.43Å; Y405-W421 VanDerWaalsContact CD2-CG 3.43Å; Y405-W421 HydrophobicContact CE2-CB 4.07Å; Y405-W421 AromaticContact CE2-CD1 3.83Å; Y405-W421 AromaticContact CE2-CG 3.97Å; Y405-W421 HydrophobicContact CE2-CG 3.97Å; Y405-W421 HydrophobicContact CG-CB 3.98Å; Y405-W421 AromaticContact CG-CD1 3.91Å; Y405-W421 AromaticContact CG-CD2 3.61Å; Y405-W421 HydrophobicContact CG-CD2 3.61Å; Y405-W421 HydrophobicContact CG-CE3 4.05Å; Y405-W421 AromaticContact CG-CG 3.54Å; Y405-W421 HydrophobicContact CG-CG 3.54Å
406S90.7Very high85.8Confident47 Ų4774.3 Ų74.333%0.32939%0.393SS..EExtended strand (participates in β ladder)trans-70.1142.6170.851.80000110.2N365 W421N365-S406 WeakPolarHBondContact CA-OG 3.39Å; N365-S406 PolarHBondContact O-N 2.93Å; N365-S406 PolarHBondContact O-OG 2.87Å; S406-W421 VanDerWaalsContact O-CZ3 3.26Å; S406-W421 WeakPolarHBondContact O-CZ3 3.38Å
407W88Confident86Confident61 Ų6171.7 Ų71.723%0.23138%0.376CS..  trans-143.7135.4-175.2179.586.4000110.9C414 L416 W424 L430W407-C414 HydrophobicContact CE3-CB 3.88Å; W407-C414 HydrophobicContact CZ3-CB 4.46Å; W407-C414 PolarHBondContact N-O 3.08Å; W407-C414 WeakPolarHBondContact O-CB 3.49Å; W407-L416 HydrophobicContact CB-CD1 4.18Å; W407-L416 HydrophobicContact CB-CG 3.98Å; W407-L416 HydrophobicContact CD2-CD1 4.43Å; W407-L416 HydrophobicContact CG-CD1 3.8Å; W407-L416 HydrophobicContact CG-CG 4.01Å; W407-W424 AromaticContact CD1-CD2 3.73Å; W407-W424 AromaticContact CD1-CE2 3.64Å; W407-W424 AromaticContact CD1-CZ2 3.87Å; W407-W424 AromaticContact NE1-CD1 3.46Å; W407-W424 AromaticContact NE1-CD2 3.53Å; W407-W424 AromaticContact NE1-CE2 3.15Å; W407-W424 AromaticContact NE1-CG 3.7Å; W407-W424 AromaticContact NE1-CZ2 3.65Å; W407-W424 AromaticContact NE1-NE1 3.12Å; W407-W424 VanDerWaalsContact NE1-NE1 3.12Å; W407-L430 HydrophobicContact CH2-CD1 3.86Å; W407-L430 HydrophobicContact CH2-CD2 4.34Å; W407-L430 HydrophobicContact CH2-CG 4.27Å; W407-L430 HydrophobicContact CZ2-CD1 4.08Å; W407-L430 HydrophobicContact CZ2-CD2 3.72Å; W407-L430 HydrophobicContact CZ2-CG 3.99Å; W407-L430 HydrophobicContact CZ3-CD1 4.4Å
408G80.8Confident86.2Confident52 Ų5267.1 Ų67.154%0.53636%0.357SS..SBendtrans73.7-165.4-176.200000114.1
409P78.8Confident86.4Confident66 Ų6668.9 Ų68.943%0.42937%0.372SS..  trans-63.1138.2-175.8-2637.1000113.6N411 M412P409-N411 WeakPolarHBondContact CB-OD1 3.21Å; P409-N411 PolarHBondContact O-N 2.85Å; P409-N411 VanDerWaalsContact O-N 3.09Å; P409-M412 HydrophobicContact CB-CG 4.36Å; P409-M412 HydrophobicContact CG-SD 4.3Å; P409-M412 PolarHBondContact O-N 2.86Å
410P72.4Confident86.7Confident125 Ų12564.5 Ų64.581%0.81235%0.345SS*.G310 helixtrans-55.9-32.4-176.2-28.635.4000114.9M412 Q413P410-M412 PolarHBondContact O-N 3.15Å; P410-Q413 PolarHBondContact O-N 3.01Å
411N74.1Confident86.9Confident139 Ų13957.5 Ų57.574%0.74331%0.312SS*.G310 helixtrans-71.5-11.3179.268.7-54.8000114.2P409P409-N411 WeakPolarHBondContact CB-OD1 3.21Å; P409-N411 PolarHBondContact O-N 2.85Å; P409-N411 VanDerWaalsContact O-N 3.09Å
412M75.7Confident87Confident103 Ų10359 Ų5951%0.50732%0.319SS..G310 helixtrans-94.2-17.9176.9-60.6-169.972.700113P409 P410 C414P409-M412 HydrophobicContact CB-CG 4.36Å; P409-M412 HydrophobicContact CG-SD 4.3Å; P409-M412 PolarHBondContact O-N 2.86Å; P410-M412 PolarHBondContact O-N 3.15Å; M412-C414 PolarHBondContact O-N 2.9Å
413Q79.3Confident87.1Confident143 Ų14350.7 Ų50.767%0.66829%0.287SS*.  trans5225.3-179.7-59.2-177.6-9.600114.9P410P410-Q413 PolarHBondContact O-N 3.01Å
414C87.2Confident87.2Confident18 Ų1850.8 Ų50.812%0.12229%0.286CS..  trans-67.4142.3176.5-70.70000110.5E394 W407 M412E394-C414 HydrophobicContact CG-CB 3.86Å; E394-C414 PolarHBondContact OE1-SG 2.54Å; W407-C414 HydrophobicContact CE3-CB 3.88Å; W407-C414 HydrophobicContact CZ3-CB 4.46Å; W407-C414 PolarHBondContact N-O 3.08Å; W407-C414 WeakPolarHBondContact O-CB 3.49Å; M412-C414 PolarHBondContact O-N 2.9Å
415R89.9Confident87.3Confident43 Ų4350 Ų5016%0.16228%0.283CS..EExtended strand (participates in β ladder)trans-140.5150.6-178.769.9176.6-170.9158.25.2113.3I367 G390 R391 E394 W404 Y405I367-R415 HydrophobicContact CD1-CB 4.03Å; G390-R415 VanDerWaalsContact C-NH2 3.26Å; G390-R415 PolarHBondContact O-NH2 2.84Å; R391-R415 PolarHBondContact O-NE 2.84Å; R391-R415 PolarHBondContact O-NH2 2.81Å; E394-R415 PolarHBondContact N-O 2.71Å; W404-R415 HydrophobicContact CE3-CB 4.37Å; W404-R415 HydrophobicContact CE3-CG 3.76Å; W404-R415 HydrophobicContact CZ3-CG 4.05Å; Y405-R415 CarbonylContact O-C 3.52Å; Y405-R415 WeakPolarHBondContact O-CA 3.38Å; Y405-R415 WeakPolarHBondContact O-CB 3.4Å
416L92.3Very high87.4Confident0 Ų049.9 Ų49.90%028%0.283CS..EExtended strand (participates in β ladder)trans-115.4143.1175.3-61.9179.7000110.7E394 Y405 W407 C420 W421 W424 L430E394-L416 HydrophobicContact CB-CD2 4.24Å; Y405-L416 PolarHBondContact N-O 3.26Å; Y405-L416 PolarHBondContact O-N 3.33Å; W407-L416 HydrophobicContact CB-CD1 4.18Å; W407-L416 HydrophobicContact CB-CG 3.98Å; W407-L416 HydrophobicContact CD2-CD1 4.43Å; W407-L416 HydrophobicContact CG-CD1 3.8Å; W407-L416 HydrophobicContact CG-CG 4.01Å; L416-C420 HydrophobicContact CB-CB 4.3Å; L416-C420 HydrophobicContact CD2-CB 4.28Å; L416-W421 HydrophobicContact CB-CB 4.29Å; L416-W421 HydrophobicContact CD1-CE3 4.42Å; L416-W424 HydrophobicContact CD1-CB 4.01Å; L416-W424 HydrophobicContact CD1-CG 4.3Å; L416-L430 HydrophobicContact CD1-CD2 4.02Å; L416-L430 HydrophobicContact CD2-CD2 4.02Å
417C93.4Very high87.4Confident2 Ų247.9 Ų47.91%0.01427%0.269CS..EExtended strand (participates in β ladder)trans-68.9157.1163.668.90000109.8C393 T398 S401 W404 S419 C420 W421C393-C417 HydrophobicContact CB-CB 4.12Å; C393-C417 PolarHBondContact SG-N 3.28Å; T398-C417 HydrophobicContact CG2-CB 3.7Å; S401-C417 WeakPolarHBondContact OG-CB 3.21Å; W404-C417 HydrophobicContact CH2-CB 4.26Å; W404-C417 HydrophobicContact CZ3-CB 4.08Å; C417-S419 VanDerWaalsContact C-N 3.33Å; C417-S419 PolarHBondContact O-N 2.86Å; C417-S419 PolarHBondContact SG-OG 3.48Å; C417-C420 PolarHBondContact O-N 3.19Å; C417-W421 PolarHBondContact O-N 2.79Å
418A92.1Very high87.5Confident0 Ų045.5 Ų45.50%026%0.263CS..Hα-helixtrans-54.6-41.9-172.400000114.8S401 Y402 Q403 Y405 C420 W421 T422S401-A418 PolarHBondContact OG-N 3.46Å; S401-A418 VanDerWaalsContact OG-N 3.11Å; Y402-A418 HydrophobicContact CD1-CB 4.29Å; Y402-A418 HydrophobicContact CE1-CB 3.58Å; Y402-A418 HydrophobicContact CE2-CB 3.86Å; Y402-A418 WeakPolarHBondContact OH-CB 3.37Å; Q403-A418 HydrophobicContact CB-CB 4.33Å; Q403-A418 PolarHBondContact O-N 3.46Å; Q403-A418 VanDerWaalsContact O-N 3.1Å; Y405-A418 HydrophobicContact CE2-CB 4Å; A418-C420 PolarHBondContact O-N 2.82Å; A418-W421 PolarHBondContact O-N 3.47Å; A418-T422 PolarHBondContact O-N 3.07Å; A418-T422 PolarHBondContact O-OG1 2.77Å
419S92.6Very high87.9Confident83 Ų8343.7 Ų43.758%0.5825%0.245SC*.Hα-helixtrans-63.9-37.8176.554.10000113.2C417 Y423C417-S419 VanDerWaalsContact C-N 3.33Å; C417-S419 PolarHBondContact O-N 2.86Å; C417-S419 PolarHBondContact SG-OG 3.48Å; S419-Y423 WeakPolarHBondContact O-CB 3.3Å; S419-Y423 PolarHBondContact O-N 3.12Å
420C92.9Very high88.4Confident5 Ų541.1 Ų41.13%0.03423%0.227CC..Hα-helixtrans-77.6-29.1176.5-68.50000112.5L416 C417 A418 W424L416-C420 HydrophobicContact CB-CB 4.3Å; L416-C420 HydrophobicContact CD2-CB 4.28Å; C417-C420 PolarHBondContact O-N 3.19Å; A418-C420 PolarHBondContact O-N 2.82Å; C420-W424 VanDerWaalsContact O-CB 3.29Å; C420-W424 WeakPolarHBondContact O-CB 3.37Å; C420-W424 PolarHBondContact O-N 3.11Å
421W92.4Very high89Confident13 Ų1339.4 Ų39.45%0.04921%0.207CC..Hα-helixtrans-63.9-48.9169.5176.2-97.6000111.3N363 N365 Y405 S406 L416 C417 A418 Y423 W424 K425N363-W421 WeakPolarHBondContact ND2-CZ2 3.36Å; N363-W421 PolarHBondContact ND2-NE1 3.01Å; N365-W421 HydrophobicContact CB-CH2 3.57Å; N365-W421 HydrophobicContact CB-CZ2 4.09Å; N365-W421 HydrophobicContact CB-CZ3 4.18Å; Y405-W421 VanDerWaalsContact CB-CE3 3.4Å; Y405-W421 HydrophobicContact CD1-CD2 4.08Å; Y405-W421 HydrophobicContact CD1-CG 4.18Å; Y405-W421 HydrophobicContact CD2-CB 3.45Å; Y405-W421 VanDerWaalsContact CD2-CB 3.45Å; Y405-W421 AromaticContact CD2-CD1 3.76Å; Y405-W421 HydrophobicContact CD2-CD2 4.03Å; Y405-W421 AromaticContact CD2-CG 3.43Å; Y405-W421 HydrophobicContact CD2-CG 3.43Å; Y405-W421 VanDerWaalsContact CD2-CG 3.43Å; Y405-W421 HydrophobicContact CE2-CB 4.07Å; Y405-W421 AromaticContact CE2-CD1 3.83Å; Y405-W421 AromaticContact CE2-CG 3.97Å; Y405-W421 HydrophobicContact CE2-CG 3.97Å; Y405-W421 HydrophobicContact CG-CB 3.98Å; Y405-W421 AromaticContact CG-CD1 3.91Å; Y405-W421 AromaticContact CG-CD2 3.61Å; Y405-W421 HydrophobicContact CG-CD2 3.61Å; Y405-W421 HydrophobicContact CG-CE3 4.05Å; Y405-W421 AromaticContact CG-CG 3.54Å; Y405-W421 HydrophobicContact CG-CG 3.54Å; S406-W421 VanDerWaalsContact O-CZ3 3.26Å; S406-W421 WeakPolarHBondContact O-CZ3 3.38Å; L416-W421 HydrophobicContact CB-CB 4.29Å; L416-W421 HydrophobicContact CD1-CE3 4.42Å; C417-W421 PolarHBondContact O-N 2.79Å; A418-W421 PolarHBondContact O-N 3.47Å; W421-Y423 PolarHBondContact O-N 3.34Å; W421-W424 HydrophobicContact CD2-CE3 4.37Å; W421-W424 AromaticContact CE3-CE3 3.93Å; W421-W424 HydrophobicContact CE3-CE3 3.93Å; W421-W424 HydrophobicContact CE3-CZ3 4.02Å; W421-W424 HydrophobicContact CH2-CE3 4.24Å; W421-W424 HydrophobicContact CH2-CH2 4.33Å; W421-W424 AromaticContact CH2-CZ3 3.51Å; W421-W424 HydrophobicContact CH2-CZ3 3.51Å; W421-W424 HydrophobicContact CZ2-CZ3 4.07Å; W421-W424 AromaticContact CZ3-CE3 3.86Å; W421-W424 HydrophobicContact CZ3-CE3 3.86Å; W421-W424 HydrophobicContact CZ3-CH2 4.31Å; W421-W424 AromaticContact CZ3-CZ3 3.48Å; W421-W424 HydrophobicContact CZ3-CZ3 3.48Å; W421-W424 VanDerWaalsContact CZ3-CZ3 3.48Å; W421-W424 PolarHBondContact O-N 3.1Å; W421-K425 HydrophobicContact CD2-CG 4.41Å; W421-K425 HydrophobicContact CZ2-CD 3.97Å; W421-K425 HydrophobicContact CZ2-CG 4.22Å; W421-K425 WeakPolarHBondContact O-CG 3.12Å; W421-K425 PolarHBondContact O-N 3.02Å
422T91.7Very high89.4Confident66 Ų6635.3 Ų35.341%0.40518%0.184SC..Hα-helixtrans-61-43.2175.7-62.50000111.6A418 K425 K426A418-T422 PolarHBondContact O-N 3.07Å; A418-T422 PolarHBondContact O-OG1 2.77Å; T422-K425 PolarHBondContact O-N 2.88Å; T422-K426 HydrophobicContact CG2-CD 4.05Å; T422-K426 WeakPolarHBondContact O-CB 3.3Å; T422-K426 WeakPolarHBondContact O-CG 3.46Å; T422-K426 PolarHBondContact O-N 2.88Å
423Y92.4Very high89.3Confident19 Ų1933.2 Ų33.28%0.07518%0.178CC..Hα-helixtrans-58.3-50.3173-174.5-86.1000111.5S419 W421 K425 K426 Y427 K431S419-Y423 WeakPolarHBondContact O-CB 3.3Å; S419-Y423 PolarHBondContact O-N 3.12Å; W421-Y423 PolarHBondContact O-N 3.34Å; Y423-K425 VanDerWaalsContact C-N 3.34Å; Y423-K425 PolarHBondContact O-N 3.2Å; Y423-K426 PolarHBondContact O-N 3.34Å; Y423-Y427 HydrophobicContact CD1-CD2 4.14Å; Y423-Y427 AromaticContact CD2-CD2 3.35Å; Y423-Y427 HydrophobicContact CD2-CD2 3.35Å; Y423-Y427 AromaticContact CD2-CE2 3.62Å; Y423-Y427 HydrophobicContact CD2-CE2 3.62Å; Y423-Y427 HydrophobicContact CD2-CG 4.4Å; Y423-Y427 HydrophobicContact CE1-CD2 4.16Å; Y423-Y427 HydrophobicContact CE1-CG 4.44Å; Y423-Y427 AromaticContact CE2-CD2 3.37Å; Y423-Y427 HydrophobicContact CE2-CD2 3.37Å; Y423-Y427 AromaticContact CE2-CE2 3.72Å; Y423-Y427 HydrophobicContact CE2-CE2 3.72Å; Y423-Y427 HydrophobicContact CE2-CG 4.07Å; Y423-Y427 AromaticContact CG-CD2 3.74Å; Y423-Y427 HydrophobicContact CG-CD2 3.74Å; Y423-Y427 HydrophobicContact CG-CE2 4.36Å; Y423-Y427 AromaticContact CZ-CD2 3.79Å; Y423-Y427 WeakPolarHBondContact O-CB 3.44Å; Y423-Y427 VanDerWaalsContact O-CD2 3.29Å; Y423-Y427 WeakPolarHBondContact O-CD2 3.41Å; Y423-Y427 PolarHBondContact O-N 3.26Å; Y423-K431 HydrophobicContact CD1-CB 3.76Å; Y423-K431 HydrophobicContact CD1-CG 4.46Å; Y423-K431 HydrophobicContact CD2-CB 4.37Å; Y423-K431 HydrophobicContact CD2-CD 3.94Å; Y423-K431 HydrophobicContact CD2-CG 4.25Å; Y423-K431 HydrophobicContact CE1-CB 3.78Å; Y423-K431 HydrophobicContact CE1-CG 4.28Å; Y423-K431 HydrophobicContact CE2-CB 4.39Å; Y423-K431 HydrophobicContact CE2-CD 4.11Å; Y423-K431 HydrophobicContact CE2-CG 4.06Å; Y423-K431 HydrophobicContact CG-CB 4.08Å; Y423-K431 HydrophobicContact CG-CD 4.31Å; Y423-K431 HydrophobicContact CG-CG 4.45Å
424W92.4Very high88.5Confident28 Ų2829.9 Ų29.911%0.10617%0.167CC..Hα-helixtrans-63.2-37.1179.1172.978.9000112.7S19 P21 W407 L416 C420 W421 G428 G429 L430S19-W424 WeakPolarHBondContact O-CH2 3.49Å; P21-W424 WeakPolarHBondContact CB-O 3.34Å; P21-W424 VanDerWaalsContact CD-CZ2 3.47Å; P21-W424 HydrophobicContact CG-CD2 3.84Å; P21-W424 VanDerWaalsContact CG-CE2 3.42Å; P21-W424 HydrophobicContact CG-CE3 4.24Å; P21-W424 HydrophobicContact CG-CG 4.44Å; P21-W424 HydrophobicContact CG-CH2 3.97Å; P21-W424 HydrophobicContact CG-CZ2 3.53Å; P21-W424 HydrophobicContact CG-CZ3 4.28Å; P21-W424 WeakPolarHBondContact CG-O 3.45Å; W407-W424 AromaticContact CD1-CD2 3.73Å; W407-W424 AromaticContact CD1-CE2 3.64Å; W407-W424 AromaticContact CD1-CZ2 3.87Å; W407-W424 AromaticContact NE1-CD1 3.46Å; W407-W424 AromaticContact NE1-CD2 3.53Å; W407-W424 AromaticContact NE1-CE2 3.15Å; W407-W424 AromaticContact NE1-CG 3.7Å; W407-W424 AromaticContact NE1-CZ2 3.65Å; W407-W424 AromaticContact NE1-NE1 3.12Å; W407-W424 VanDerWaalsContact NE1-NE1 3.12Å; L416-W424 HydrophobicContact CD1-CB 4.01Å; L416-W424 HydrophobicContact CD1-CG 4.3Å; C420-W424 VanDerWaalsContact O-CB 3.29Å; C420-W424 WeakPolarHBondContact O-CB 3.37Å; C420-W424 PolarHBondContact O-N 3.11Å; W421-W424 HydrophobicContact CD2-CE3 4.37Å; W421-W424 AromaticContact CE3-CE3 3.93Å; W421-W424 HydrophobicContact CE3-CE3 3.93Å; W421-W424 HydrophobicContact CE3-CZ3 4.02Å; W421-W424 HydrophobicContact CH2-CE3 4.24Å; W421-W424 HydrophobicContact CH2-CH2 4.33Å; W421-W424 AromaticContact CH2-CZ3 3.51Å; W421-W424 HydrophobicContact CH2-CZ3 3.51Å; W421-W424 HydrophobicContact CZ2-CZ3 4.07Å; W421-W424 AromaticContact CZ3-CE3 3.86Å; W421-W424 HydrophobicContact CZ3-CE3 3.86Å; W421-W424 HydrophobicContact CZ3-CH2 4.31Å; W421-W424 AromaticContact CZ3-CZ3 3.48Å; W421-W424 HydrophobicContact CZ3-CZ3 3.48Å; W421-W424 VanDerWaalsContact CZ3-CZ3 3.48Å; W421-W424 PolarHBondContact O-N 3.1Å; W424-G428 WeakPolarHBondContact O-CA 3.34Å; W424-G428 PolarHBondContact O-N 2.72Å; W424-G429 WeakPolarHBondContact CA-O 3.41Å; W424-L430 HydrophobicContact CB-CD2 4.5Å; W424-L430 HydrophobicContact CG-CD2 4.49Å
425K92.8Very high87Confident4 Ų437 Ų372%0.01719%0.192CC..Hα-helixtrans-64.9-41.9174-73.9-73.5-67.1-170.10112.4E15 S17 S18 N20 P21 Y22 W421 T422 Y423E15-K425 IonicContact OE1-NZ 3.28Å; E15-K425 PolarHBondContact OE1-NZ 2.77Å; S17-K425 PolarHBondContact O-NZ 2.72Å; S18-K425 PolarHBondContact O-NZ 2.78Å; N20-K425 WeakPolarHBondContact O-CE 3.15Å; N20-K425 PolarHBondContact O-NZ 3.33Å; P21-K425 WeakPolarHBondContact CA-O 3.49Å; Y22-K425 HydrophobicContact CD2-CB 4.23Å; Y22-K425 WeakPolarHBondContact CD2-O 3.46Å; Y22-K425 HydrophobicContact CE2-CB 3.9Å; Y22-K425 PolarHBondContact N-O 2.96Å; W421-K425 HydrophobicContact CD2-CG 4.41Å; W421-K425 HydrophobicContact CZ2-CD 3.97Å; W421-K425 HydrophobicContact CZ2-CG 4.22Å; W421-K425 WeakPolarHBondContact O-CG 3.12Å; W421-K425 PolarHBondContact O-N 3.02Å; T422-K425 PolarHBondContact O-N 2.88Å; Y423-K425 VanDerWaalsContact C-N 3.34Å; Y423-K425 PolarHBondContact O-N 3.2Å
426K92.9Very high85Confident30 Ų3042.4 Ų42.413%0.1322%0.223CC..Hα-helixtrans-73.8-48.4179.5-74.9175.1160.7-159.80113Y13 R47 E144 D145 T422 Y423Y13-K426 HydrophobicContact CE1-CB 4.34Å; Y13-K426 HydrophobicContact CE2-CG 4Å; R47-K426 PolarHBondContact NH2-O 2.98Å; E144-K426 IonicContact OE2-NZ 2.75Å; E144-K426 PolarHBondContact OE2-NZ 2.87Å; D145-K426 WeakPolarHBondContact OD1-CD 3.25Å; D145-K426 WeakPolarHBondContact OD1-CE 3.49Å; D145-K426 IonicContact OD1-NZ 3.83Å; D145-K426 PolarHBondContact OD1-NZ 3.24Å; D145-K426 WeakPolarHBondContact OD2-CE 3.12Å; D145-K426 IonicContact OD2-NZ 3.14Å; D145-K426 PolarHBondContact OD2-NZ 3.23Å; T422-K426 HydrophobicContact CG2-CD 4.05Å; T422-K426 WeakPolarHBondContact O-CB 3.3Å; T422-K426 WeakPolarHBondContact O-CG 3.46Å; T422-K426 PolarHBondContact O-N 2.88Å; Y423-K426 PolarHBondContact O-N 3.34Å
427Y91.7Very high82.3Confident5 Ų548.9 Ų48.92%0.0226%0.258CS..Hα-helixtrans-104.1-16.3-168.3-58.4-72.8000114.2R47 R106 D145 F147 Y423 G429R47-Y427 WeakPolarHBondContact CD-O 3.29Å; R47-Y427 PolarHBondContact NE-O 3.38Å; R106-Y427 VanDerWaalsContact CD-CE1 3.5Å; D145-Y427 PolarHBondContact N-OH 2.68Å; D145-Y427 PolarHBondContact OD1-OH 3.39Å; F147-Y427 AromaticContact CE1-CD1 3.71Å; F147-Y427 HydrophobicContact CE1-CD1 3.71Å; F147-Y427 HydrophobicContact CE1-CE1 4.09Å; F147-Y427 HydrophobicContact CE2-CE1 4.35Å; F147-Y427 AromaticContact CZ-CD1 3.68Å; F147-Y427 HydrophobicContact CZ-CD1 3.68Å; F147-Y427 AromaticContact CZ-CE1 3.73Å; F147-Y427 HydrophobicContact CZ-CE1 3.73Å; Y423-Y427 HydrophobicContact CD1-CD2 4.14Å; Y423-Y427 AromaticContact CD2-CD2 3.35Å; Y423-Y427 HydrophobicContact CD2-CD2 3.35Å; Y423-Y427 AromaticContact CD2-CE2 3.62Å; Y423-Y427 HydrophobicContact CD2-CE2 3.62Å; Y423-Y427 HydrophobicContact CD2-CG 4.4Å; Y423-Y427 HydrophobicContact CE1-CD2 4.16Å; Y423-Y427 HydrophobicContact CE1-CG 4.44Å; Y423-Y427 AromaticContact CE2-CD2 3.37Å; Y423-Y427 HydrophobicContact CE2-CD2 3.37Å; Y423-Y427 AromaticContact CE2-CE2 3.72Å; Y423-Y427 HydrophobicContact CE2-CE2 3.72Å; Y423-Y427 HydrophobicContact CE2-CG 4.07Å; Y423-Y427 AromaticContact CG-CD2 3.74Å; Y423-Y427 HydrophobicContact CG-CD2 3.74Å; Y423-Y427 HydrophobicContact CG-CE2 4.36Å; Y423-Y427 AromaticContact CZ-CD2 3.79Å; Y423-Y427 WeakPolarHBondContact O-CB 3.44Å; Y423-Y427 VanDerWaalsContact O-CD2 3.29Å; Y423-Y427 WeakPolarHBondContact O-CD2 3.41Å; Y423-Y427 PolarHBondContact O-N 3.26Å; Y427-G429 VanDerWaalsContact C-N 3.33Å; Y427-G429 PolarHBondContact O-N 3.49Å
428G89.4Confident79.9Confident11 Ų1152.3 Ų52.311%0.11329%0.293CS..SBendtrans86.1-817200000116.4R49 W424R49-G428 PolarHBondContact NH1-O 2.83Å; W424-G428 WeakPolarHBondContact O-CA 3.34Å; W424-G428 PolarHBondContact O-N 2.72Å
429G89.1Confident77.4Confident15 Ų1560.5 Ų60.516%0.15533%0.332CS..SBendtrans-127.4177.7175.600000112.6W424 Y427W424-G429 WeakPolarHBondContact CA-O 3.41Å; Y427-G429 VanDerWaalsContact C-N 3.33Å; Y427-G429 PolarHBondContact O-N 3.49Å
430L89.7Confident75.1Confident11 Ų1167 Ų676%0.05834%0.344CS..  trans-85.3148.5174.1-59.7-169.9000110.7H101 W407 L416 W424 M432H101-L430 PolarHBondContact NE2-O 2.82Å; W407-L430 HydrophobicContact CH2-CD1 3.86Å; W407-L430 HydrophobicContact CH2-CD2 4.34Å; W407-L430 HydrophobicContact CH2-CG 4.27Å; W407-L430 HydrophobicContact CZ2-CD1 4.08Å; W407-L430 HydrophobicContact CZ2-CD2 3.72Å; W407-L430 HydrophobicContact CZ2-CG 3.99Å; W407-L430 HydrophobicContact CZ3-CD1 4.4Å; L416-L430 HydrophobicContact CD1-CD2 4.02Å; L416-L430 HydrophobicContact CD2-CD2 4.02Å; W424-L430 HydrophobicContact CB-CD2 4.5Å; W424-L430 HydrophobicContact CG-CD2 4.49Å; L430-M432 WeakPolarHBondContact CB-O 3.32Å; L430-M432 PolarHBondContact O-N 2.77Å
431K85.2Confident72.4Confident90 Ų9073.3 Ų73.339%0.39138%0.384SS..SBendtrans-68.3-16-177-167.9165.2-177.9169.10113.5Q102 S395 Y423Q102-K431 PolarHBondContact NE2-O 2.84Å; S395-K431 PolarHBondContact OG-N 2.8Å; Y423-K431 HydrophobicContact CD1-CB 3.76Å; Y423-K431 HydrophobicContact CD1-CG 4.46Å; Y423-K431 HydrophobicContact CD2-CB 4.37Å; Y423-K431 HydrophobicContact CD2-CD 3.94Å; Y423-K431 HydrophobicContact CD2-CG 4.25Å; Y423-K431 HydrophobicContact CE1-CB 3.78Å; Y423-K431 HydrophobicContact CE1-CG 4.28Å; Y423-K431 HydrophobicContact CE2-CB 4.39Å; Y423-K431 HydrophobicContact CE2-CD 4.11Å; Y423-K431 HydrophobicContact CE2-CG 4.06Å; Y423-K431 HydrophobicContact CG-CB 4.08Å; Y423-K431 HydrophobicContact CG-CD 4.31Å; Y423-K431 HydrophobicContact CG-CG 4.45Å
432M82.4Confident69.7Low53 Ų5374.3 Ų74.326%0.26140%0.399SS..SBendtrans-128155.8171-61-63.6-62.900109.2K98 S395 L430K98-M432 HydrophobicContact CD-CE 4.27Å; K98-M432 HydrophobicContact CD-SD 3.95Å; K98-M432 HydrophobicContact CG-CE 4.34Å; K98-M432 HydrophobicContact CG-SD 3.95Å; S395-M432 WeakPolarHBondContact O-CB 3.49Å; S395-M432 WeakPolarHBondContact O-CG 3.36Å; L430-M432 WeakPolarHBondContact CB-O 3.32Å; L430-M432 PolarHBondContact O-N 2.77Å
433P73.3Confident67Low59 Ų5977.6 Ų77.638%0.38342%0.421SS..  trans-58.4154.8171.3-2636000113.5
434T62.9Low64.6Low72 Ų7283.5 Ų83.544%0.44245%0.454SS..  trans-82.4145.3-176.9-47.50000111L436 D437T434-L436 PolarHBondContact O-N 3.02Å; T434-D437 PolarHBondContact O-N 3.1Å
435R55.2Low61.9Low168 Ų16894 Ų9463%0.63449%0.493SS*.THydrogen-bonded Turntrans-67.216.3-172.3-145.7178.4-169.4163.45.3116.9
436L47.1Very low59.1Low157 Ų15798.8 Ų98.882%0.82253%0.528SS*.THydrogen-bonded Turntrans-93.5-25178-70.5169.8000112.2T434 G438T434-L436 PolarHBondContact O-N 3.02Å; L436-G438 PolarHBondContact O-N 3.09Å; L436-G438 VanDerWaalsContact O-N 3.12Å
437D37Very low56.1Low135 Ų135105.1 Ų105.172%0.72256%0.563SS**SBendtrans-89.569.3-176.4-59.2-56.4000112T434 E439T434-D437 PolarHBondContact O-N 3.1Å; D437-E439 VanDerWaalsContact C-N 3.32Å; D437-E439 PolarHBondContact O-N 3.29Å
438G41.8Very low53.2Low74 Ų74114 Ų11476%0.76361%0.607SS**SBendtrans68.7-57.5157.700000119.4L436L436-G438 PolarHBondContact O-N 3.09Å; L436-G438 VanDerWaalsContact O-N 3.12Å
439E41.1Very low50.3Low173 Ų173119 Ų11981%0.80864%0.64SS**  trans-111.587.4-147.1-79-67.4133.200114.3D437D437-E439 VanDerWaalsContact C-N 3.32Å; D437-E439 PolarHBondContact O-N 3.29Å
440R42.9Very low48Very low220 Ų220123 Ų12383%0.8366%0.664SS**  trans179.6142.6140.1-104.5166.6-173.8-156-2.4114
441P37Very low45.5Very low136 Ų136131.4 Ų131.488%0.88370%0.702SS**  trans-60.7137.1167.4-21.733.5000112.3
442G36.5Very low42.8Very low34 Ų34130.8 Ų130.835%0.35172%0.721SS.*  trans-113.6148.5166.100000110.2N444G442-N444 PolarHBondContact O-N 3.23Å
443P34.6Very low40.6Very low136 Ų136136.3 Ų136.388%0.88375%0.751SS**SBendtrans-77.224-162.533.2-39.4000115.3
444N41.8Very low38.6Very low143 Ų143139.4 Ų139.477%0.76577%0.771SS**  trans-151.891.7-179.5-112-23000111.6G442G442-N444 PolarHBondContact O-N 3.23Å
445R36.3Very low37Very low247 Ų247140.5 Ų140.593%0.93279%0.787SS**  trans-149.744.9169.1-113.6-169.2-178.5-172.5-0.4113.6N447R445-N447 PolarHBondContact O-N 3.15Å
446S32.6Very low35.9Very low105 Ų105144.6 Ų144.673%0.73480%0.803SS**  trans-84.586.4163.854.40000110.2
447N31.3Very low35Very low164 Ų164142.9 Ų142.988%0.87780%0.804SS**  trans-163.498.5153.7-118.214.2000110R445R445-N447 PolarHBondContact O-N 3.15Å
448M30.5Very low34.8Very low191 Ų191142.4 Ų142.494%0.94181%0.811SS**  trans-99.4133160.8-81.1-68.9176.600108
449S28.4Very low34.2Very low116 Ų116142.6 Ų142.681%0.81181%0.813SS**  trans-149.1134.2160-163.10000108.1
450P39.8Very low33.5Very low99 Ų99139 Ų13964%0.64381%0.807SS**  trans-83.2170.4-168.232.8-35.6000113.9
451H37.6Very low33.3Very low188 Ų188134.8 Ų134.887%0.8781%0.808SS**  trans72.8104.8175.5-47.7-74.1000116.4
452G29.8Very low33.2Very low77 Ų77136.8 Ų136.879%0.79480%0.803SS**  trans178.2105.6169.900000111.2
453L34.2Very low33.1Very low169 Ų169145.9 Ų145.989%0.88583%0.833SS**  trans-70.5143.2178.3-69.2170.6000110.8A455L453-A455 PolarHBondContact O-N 3.37Å
454P32.4Very low33.1Very low124 Ų124143 Ų14381%0.80582%0.821SS**  trans-72.397-173.628.3-35000112.3R456P454-R456 PolarHBondContact O-N 2.87Å
455A28.9Very low32.7Very low94 Ų94144.9 Ų144.978%0.77783%0.827SS**  trans-66.4124.9172.600000111.3L453 S457L453-A455 PolarHBondContact O-N 3.37Å; A455-S457 PolarHBondContact O-N 3.09Å
456R33.4Very low32.7Very low255 Ų255143 Ų14396%0.96283%0.826SS**  trans-71110.6169.7-73.8176.5168175.6-3.8109.7P454P454-R456 PolarHBondContact O-N 2.87Å
457S28.1Very low33.3Very low120 Ų120143.8 Ų143.884%0.83983%0.826SS**  trans-109129.2165.765.60000111.4A455A455-S457 PolarHBondContact O-N 3.09Å
458S32.1Very low34.3Very low126 Ų126147.7 Ų147.788%0.88183%0.829SS**  trans-101.1117.1174.653.80000109.6
459G29.2Very low35.9Very low78 Ų78147 Ų14780%0.80482%0.823SS**  trans177.991.917700000115.3
460S26.4Very low38Very low97 Ų97145.8 Ų145.868%0.67882%0.82SS**  trans-154.898.3160.3-157.30000110.8K462S460-K462 PolarHBondContact O-N 2.8Å
461P38.1Very low39.8Very low131 Ų131149 Ų14985%0.85182%0.824SS**  trans-78.7107177.130.8-31.7000110
462K35.2Very low41.8Very low178 Ų178147.3 Ų147.377%0.77481%0.811SS**  trans-110140.1168.8-71.2-175.6177.3179.70110S460 A464S460-K462 PolarHBondContact O-N 2.8Å; K462-A464 PolarHBondContact O-N 3.24Å
463F33.9Very low44.3Very low226 Ų226149.3 Ų149.399%0.99180%0.803SS**  trans-70.868.8171-83.9-97.6000110.9
464A34Very low46.7Very low75 Ų75147.7 Ų147.762%0.6279%0.791SS**  trans-80.5131159.100000108.4K462 K466K462-A464 PolarHBondContact O-N 3.24Å; A464-K466 PolarHBondContact O-N 2.94Å
465M35.2Very low49.1Very low183 Ų183144 Ų14490%0.90177%0.766SS**  trans-56.4125.9158.6-66.6178.3-178.300106.9T467M465-T467 PolarHBondContact O-N 3.05Å
466K35.8Very low51.9Low208 Ų208143.1 Ų143.190%0.90475%0.751SS**  trans-64.392.2-171.6-74.5-176.6177.5177.90111.2A464A464-K466 PolarHBondContact O-N 2.94Å
467T44.6Very low54.3Low121 Ų121139.4 Ų139.474%0.74274%0.742SS**  trans-54.3141.2155.245.40000108.2M465 Q469M465-T467 PolarHBondContact O-N 3.05Å; T467-Q469 PolarHBondContact O-N 3.16Å; T467-Q469 VanDerWaalsContact O-N 3.11Å
468R52.2Low57Low245 Ų245138.1 Ų138.193%0.92573%0.725SS**  trans-61118.4176.3-73178.7171.4178.2-2.6107.9A470R468-A470 PolarHBondContact O-N 2.98Å; R468-A470 VanDerWaalsContact O-N 3.11Å
469Q64.9Low59.6Low178 Ų178135.3 Ų135.383%0.83270%0.703SS**  trans-64114.4169.6-78.6-177.3-38.600108.3T467T467-Q469 PolarHBondContact O-N 3.16Å; T467-Q469 VanDerWaalsContact O-N 3.11Å
470A71.2Confident62.3Low90 Ų90138.7 Ų138.774%0.74469%0.691SS**  trans-65.2132.9170.500000109.3R468R468-A470 PolarHBondContact O-N 2.98Å; R468-A470 VanDerWaalsContact O-N 3.11Å
471F77.7Confident65Low165 Ų165137.8 Ų137.872%0.72468%0.678SS**  trans-143.8145.817571.5-86.3000110.3L473F471-L473 HydrophobicContact CD2-CB 4.15Å; F471-L473 HydrophobicContact CE2-CB 3.99Å; F471-L473 HydrophobicContact CE2-CD1 4.1Å
472Y80.7Confident67.3Low153 Ų153132.1 Ų132.160%0.664%0.642SS**  trans-102.9134.8174177.6-100.6000109.7H474Y472-H474 HydrophobicContact CE1-CB 3.69Å; Y472-H474 PolarHBondContact OH-ND1 3.05Å
473L81.4Confident69.8Low120 Ų120128.9 Ų128.963%0.62863%0.625SS**  trans-133107.8-177.9-173146.8000111.1F471 T475F471-L473 HydrophobicContact CD2-CB 4.15Å; F471-L473 HydrophobicContact CE2-CB 3.99Å; F471-L473 HydrophobicContact CE2-CD1 4.1Å; L473-T475 HydrophobicContact CD2-CG2 3.54Å
474H84.6Confident72.2Confident134 Ų134124.7 Ų124.762%0.6260%0.603SS**  trans-108.2107.6173.3-169.398.5000110Y472 T476Y472-H474 HydrophobicContact CE1-CB 3.69Å; Y472-H474 PolarHBondContact OH-ND1 3.05Å; H474-T476 PolarHBondContact O-N 3.26Å
475T82.7Confident74.6Confident47 Ų47122.5 Ų122.529%0.28858%0.58SS.*  trans-74121.4-178.365.20000111.4L473 R483L473-T475 HydrophobicContact CD2-CG2 3.54Å; T475-R483 PolarHBondContact OG1-NH2 3.09Å
476T87.6Confident77.1Confident76 Ų76113.8 Ų113.847%0.46654%0.537SS..  trans-58.7160.2177.773.30000112.4H474 L478 T479 R480H474-T476 PolarHBondContact O-N 3.26Å; T476-L478 VanDerWaalsContact C-N 3.26Å; T476-L478 PolarHBondContact O-N 3.24Å; T476-T479 PolarHBondContact O-N 3.01Å; T476-T479 VanDerWaalsContact O-N 3.17Å; T476-T479 PolarHBondContact OG1-N 3.02Å; T476-T479 PolarHBondContact OG1-OG1 2.82Å; T476-R480 WeakPolarHBondContact O-CG 3.44Å; T476-R480 PolarHBondContact O-N 3.31Å
477K84.3Confident79.4Confident177 Ų177109.9 Ų109.977%0.7752%0.517SS*.Hα-helixtrans-54.5-43.6173.7-66.4-179.5-179.1177.30111.2R480 I481K477-R480 WeakPolarHBondContact O-CB 3.43Å; K477-R480 PolarHBondContact O-N 2.9Å; K477-R480 VanDerWaalsContact O-N 3.14Å; K477-I481 WeakPolarHBondContact O-CG1 3.43Å; K477-I481 PolarHBondContact O-N 3.17Å
478L85.3Confident81.4Confident93 Ų93111.1 Ų111.149%0.48752%0.515SS..Hα-helixtrans-60.1-47.7175.5-176.961000112T476 R480 I481 A482 L516T476-L478 VanDerWaalsContact C-N 3.26Å; T476-L478 PolarHBondContact O-N 3.24Å; L478-R480 PolarHBondContact O-N 2.85Å; L478-I481 PolarHBondContact O-N 2.81Å; L478-A482 WeakPolarHBondContact O-CB 3.31Å; L478-A482 PolarHBondContact O-N 2.75Å; L478-L516 HydrophobicContact CD1-CD1 4.44Å; L478-L516 HydrophobicContact CD1-CD2 4.27Å
479T86.6Confident83.1Confident67 Ų67102.1 Ų102.141%0.41148%0.484SS..Hα-helixtrans-66.5-20176.7-52.60000113.2T476 R483T476-T479 PolarHBondContact O-N 3.01Å; T476-T479 VanDerWaalsContact O-N 3.17Å; T476-T479 PolarHBondContact OG1-N 3.02Å; T476-T479 PolarHBondContact OG1-OG1 2.82Å; T479-R483 WeakPolarHBondContact O-CG 3.4Å; T479-R483 PolarHBondContact O-NE 2.81Å
480R85.5Confident84.1Confident148 Ų14894.7 Ų94.756%0.55845%0.45SS*.Hα-helixtrans-78.2-33169.7-69170.862-178.5-1.3112.4T476 K477 L478T476-R480 WeakPolarHBondContact O-CG 3.44Å; T476-R480 PolarHBondContact O-N 3.31Å; K477-R480 WeakPolarHBondContact O-CB 3.43Å; K477-R480 PolarHBondContact O-N 2.9Å; K477-R480 VanDerWaalsContact O-N 3.14Å; L478-R480 PolarHBondContact O-N 2.85Å
481I83.4Confident84.9Confident79 Ų7997.5 Ų97.541%0.40544%0.441SS..Hα-helixtrans-80.3-43.5179.4-67.9166.3000111.3K477 L478 R483 R484 L485K477-I481 WeakPolarHBondContact O-CG1 3.43Å; K477-I481 PolarHBondContact O-N 3.17Å; L478-I481 PolarHBondContact O-N 2.81Å; I481-R483 PolarHBondContact O-N 3.46Å; I481-R484 WeakPolarHBondContact O-CA 3.47Å; I481-R484 WeakPolarHBondContact O-CB 3.27Å; I481-R484 PolarHBondContact O-N 3.19Å; I481-L485 HydrophobicContact CG2-CD1 3.78Å; I481-L485 HydrophobicContact CG2-CG 4.33Å; I481-L485 PolarHBondContact O-N 3.49Å
482A86.6Confident85.2Confident12 Ų1291.9 Ų91.910%0.09942%0.421CS..Hα-helixtrans-53.4-39.9175.900000113L478 R484 L485 C486 C512L478-A482 WeakPolarHBondContact O-CB 3.31Å; L478-A482 PolarHBondContact O-N 2.75Å; A482-R484 PolarHBondContact O-N 2.93Å; A482-L485 PolarHBondContact O-N 2.92Å; A482-C486 WeakPolarHBondContact O-CB 3.37Å; A482-C486 PolarHBondContact O-N 2.99Å; A482-C512 VanDerWaalsContact CA-SG 3.6Å; A482-C512 HydrophobicContact CB-CB 3.98Å; A482-C512 WeakPolarHBondContact CB-SG 3.45Å
483R87.7Confident85.3Confident110 Ų11093.5 Ų93.542%0.41543%0.427SS..Hα-helixtrans-68.6-7.9176.3-70-175.9-76.3171.6-5.3114.5T475 T479 I481 L490T475-R483 PolarHBondContact OG1-NH2 3.09Å; T479-R483 WeakPolarHBondContact O-CG 3.4Å; T479-R483 PolarHBondContact O-NE 2.81Å; I481-R483 PolarHBondContact O-N 3.46Å; R483-L490 HydrophobicContact CB-CD2 3.62Å; R483-L490 HydrophobicContact CG-CD2 3.64Å
484R83.9Confident85.5Confident138 Ų13890.9 Ų90.952%0.52141%0.411SS..Hα-helixtrans-106.1-38.2175.4-65.7177.5171.7-178.5-6.9112.2I481 A482I481-R484 WeakPolarHBondContact O-CA 3.47Å; I481-R484 WeakPolarHBondContact O-CB 3.27Å; I481-R484 PolarHBondContact O-N 3.19Å; A482-R484 PolarHBondContact O-N 2.93Å
485L84Confident85.6Confident28 Ų2885.4 Ų85.415%0.14739%0.389CS..Hα-helixtrans-65-60172.8-74.5165.5000110.8I481 A482 R487 L516 A519 L524I481-L485 HydrophobicContact CG2-CD1 3.78Å; I481-L485 HydrophobicContact CG2-CG 4.33Å; I481-L485 PolarHBondContact O-N 3.49Å; A482-L485 PolarHBondContact O-N 2.92Å; L485-R487 PolarHBondContact O-N 3.37Å; L485-L516 HydrophobicContact CD1-CD1 4.23Å; L485-A519 HydrophobicContact CD1-CB 4.43Å; L485-A519 HydrophobicContact CD2-CB 3.54Å; L485-L524 HydrophobicContact CD2-CD1 3.84Å; L485-L524 HydrophobicContact CG-CD1 4.22Å
486C87.8Confident85.6Confident0 Ų087.3 Ų87.30%041%0.409CS..THydrogen-bonded Turntrans-81.838.7-177.6-55.20000112.1A482 E488 I489 L490 I508 C512A482-C486 WeakPolarHBondContact O-CB 3.37Å; A482-C486 PolarHBondContact O-N 2.99Å; C486-E488 VanDerWaalsContact C-N 3.26Å; C486-E488 PolarHBondContact O-N 3.08Å; C486-I489 HydrophobicContact CB-CB 4.41Å; C486-I489 HydrophobicContact CB-CD1 4.01Å; C486-I489 PolarHBondContact O-N 3.04Å; C486-L490 VanDerWaalsContact O-CB 3.27Å; C486-L490 WeakPolarHBondContact O-CB 3.21Å; C486-L490 PolarHBondContact O-N 3.05Å; C486-I508 HydrophobicContact CB-CG1 4.37Å; C486-I508 HydrophobicContact CB-CG2 4.09Å; C486-I508 PolarHBondContact SG-O 3.11Å; C486-C512 PolarHBondContact SG-N 3.5Å; C486-C512 VanDerWaalsContact SG-N 3.37Å
487R85.8Confident85.6Confident126 Ų12692.3 Ų92.348%0.47542%0.419SS..Hα-helixtrans-59-38-174.7-179.1-179.5167.2137-5.6112L485 R491 P492L485-R487 PolarHBondContact O-N 3.37Å; R487-R491 WeakPolarHBondContact O-CA 3.36Å; R487-R491 PolarHBondContact O-N 2.63Å; R487-P492 HydrophobicContact CG-CG 4.29Å; R487-P492 WeakPolarHBondContact O-CD 3.17Å
488E85.5Confident85.6Confident148 Ų14888.1 Ų88.169%0.69240%0.402SS*.Hα-helixtrans-78.4-27.9-177.3-52.2-42.6119.900112.9C486 R491C486-E488 VanDerWaalsContact C-N 3.26Å; C486-E488 PolarHBondContact O-N 3.08Å; E488-R491 WeakPolarHBondContact O-CG 3.32Å
489I87Confident85.5Confident56 Ų5688.5 Ų88.529%0.28741%0.411SS..Hα-helixtrans-73-49.3168-55.5165000110.4C486 R491 A507 I508 E511C486-I489 HydrophobicContact CB-CB 4.41Å; C486-I489 HydrophobicContact CB-CD1 4.01Å; C486-I489 PolarHBondContact O-N 3.04Å; I489-R491 VanDerWaalsContact C-N 3.33Å; I489-R491 PolarHBondContact O-N 3.44Å; I489-A507 HydrophobicContact CG2-CB 4.19Å; I489-I508 HydrophobicContact CB-CG1 4.14Å; I489-I508 HydrophobicContact CG2-CD1 4.44Å; I489-I508 HydrophobicContact CG2-CG1 3.7Å; I489-E511 HydrophobicContact CD1-CB 3.63Å; I489-E511 VanDerWaalsContact CD1-CD 3.43Å; I489-E511 HydrophobicContact CD1-CG 4.14Å; I489-E511 VanDerWaalsContact CD1-OE2 3.24Å; I489-E511 WeakPolarHBondContact CD1-OE2 3.41Å
490L87.6Confident85.3Confident21 Ų2196 Ų9611%0.1143%0.433CS..Hα-helixtrans-68.5-31.7-174.3175.662.6000112.8R483 C486 P492 I503 I508R483-L490 HydrophobicContact CB-CD2 3.62Å; R483-L490 HydrophobicContact CG-CD2 3.64Å; C486-L490 VanDerWaalsContact O-CB 3.27Å; C486-L490 WeakPolarHBondContact O-CB 3.21Å; C486-L490 PolarHBondContact O-N 3.05Å; L490-P492 HydrophobicContact CD2-CB 4.45Å; L490-P492 HydrophobicContact CG-CB 4.49Å; L490-I503 HydrophobicContact CD1-CD1 4.05Å; L490-I503 HydrophobicContact CD1-CG2 3.87Å; L490-I508 HydrophobicContact CB-CD1 3.97Å; L490-I508 HydrophobicContact CD1-CD1 3.87Å; L490-I508 HydrophobicContact CG-CD1 4.49Å
491R88.1Confident85.2Confident150 Ų15093.8 Ų93.857%0.56643%0.432SS*.  trans44.462.5-177.2-55.5178.373.5-156.54.1110.8R487 E488 I489 W493 H494 A495R487-R491 WeakPolarHBondContact O-CA 3.36Å; R487-R491 PolarHBondContact O-N 2.63Å; E488-R491 WeakPolarHBondContact O-CG 3.32Å; I489-R491 VanDerWaalsContact C-N 3.33Å; I489-R491 PolarHBondContact O-N 3.44Å; R491-W493 PolarHBondContact O-N 2.83Å; R491-H494 HydrophobicContact CB-CB 4Å; R491-H494 WeakPolarHBondContact O-CA 3.26Å; R491-H494 VanDerWaalsContact O-CB 3.28Å; R491-H494 WeakPolarHBondContact O-CB 3.46Å; R491-H494 PolarHBondContact O-N 3.22Å; R491-A495 PolarHBondContact O-N 3.44Å
492P83.6Confident85.3Confident46 Ų4695.7 Ų95.730%0.29945%0.449SS..Hα-helixtrans-57.6-31.5-165.919.9-32.5000114.3R487 L490 H494 A496R487-P492 HydrophobicContact CG-CG 4.29Å; R487-P492 WeakPolarHBondContact O-CD 3.17Å; L490-P492 HydrophobicContact CD2-CB 4.45Å; L490-P492 HydrophobicContact CG-CB 4.49Å; P492-H494 VanDerWaalsContact C-N 3.25Å; P492-H494 PolarHBondContact O-N 3.37Å; P492-A496 VanDerWaalsContact O-CB 3.23Å; P492-A496 WeakPolarHBondContact O-CB 3.42Å; P492-A496 PolarHBondContact O-N 2.85Å
493W82.2Confident85.5Confident188 Ų18899.5 Ų99.571%0.71247%0.467SS*.Hα-helixtrans-67.2-20.5173.7-59.494.9000114.5R491 R497R491-W493 PolarHBondContact O-N 2.83Å; W493-R497 PolarHBondContact O-NE 3.15Å; W493-R497 PolarHBondContact O-NH2 2.95Å
494H85.8Confident85.5Confident64 Ų6499 Ų9930%0.29647%0.472SS..Hα-helixtrans-89.2-53.9172.2-174.6-91.2000109.4R491 P492 A496 R497 H498R491-H494 HydrophobicContact CB-CB 4Å; R491-H494 WeakPolarHBondContact O-CA 3.26Å; R491-H494 VanDerWaalsContact O-CB 3.28Å; R491-H494 WeakPolarHBondContact O-CB 3.46Å; R491-H494 PolarHBondContact O-N 3.22Å; P492-H494 VanDerWaalsContact C-N 3.25Å; P492-H494 PolarHBondContact O-N 3.37Å; H494-A496 VanDerWaalsContact C-N 3.27Å; H494-A496 PolarHBondContact O-N 2.87Å; H494-R497 PolarHBondContact O-N 3.06Å; H494-H498 AromaticContact CD2-CD2 3.73Å; H494-H498 AromaticContact CD2-NE2 4Å; H494-H498 AromaticContact CE1-CD2 3.61Å; H494-H498 AromaticContact CG-CD2 3.83Å; H494-H498 AromaticContact ND1-CD2 3.75Å; H494-H498 AromaticContact NE2-CD2 3.61Å; H494-H498 AromaticContact NE2-NE2 3.86Å; H494-H498 PolarHBondContact O-CD2 2.98Å; H494-H498 VanDerWaalsContact O-CD2 3.25Å; H494-H498 PolarHBondContact O-N 3.32Å; H494-H498 VanDerWaalsContact O-N 3.14Å
495A85.9Confident85.6Confident20 Ų2095.8 Ų95.817%0.16547%0.471CS..Hα-helixtrans-53.8-40.1179.600000113.3R491 R497 H498 I503R491-A495 PolarHBondContact O-N 3.44Å; A495-R497 PolarHBondContact O-N 2.88Å; A495-H498 CarbonylContact O-C 3.32Å; A495-H498 PolarHBondContact O-N 3.03Å; A495-I503 HydrophobicContact CB-CD1 3.98Å
496A83.1Confident85.8Confident86 Ų8697.6 Ų97.671%0.71149%0.49SS*.THydrogen-bonded Turntrans-66-16.6177.500000114.9P492 H494P492-A496 VanDerWaalsContact O-CB 3.23Å; P492-A496 WeakPolarHBondContact O-CB 3.42Å; P492-A496 PolarHBondContact O-N 2.85Å; H494-A496 VanDerWaalsContact C-N 3.27Å; H494-A496 PolarHBondContact O-N 2.87Å
497R87.8Confident85.9Confident181 Ų18199.2 Ų99.268%0.68350%0.503SS*.THydrogen-bonded Turntrans-104.8-10.6176-72.6-179.7-71.9166.10.4113.5W493 H494 A495 P499W493-R497 PolarHBondContact O-NE 3.15Å; W493-R497 PolarHBondContact O-NH2 2.95Å; H494-R497 PolarHBondContact O-N 3.06Å; A495-R497 PolarHBondContact O-N 2.88Å; R497-P499 VanDerWaalsContact C-CD 3.43Å; R497-P499 WeakPolarHBondContact O-CD 3.31Å
498H84.1Confident86Confident89 Ų8994 Ų9441%0.41249%0.485SS..  trans-124.863.8-179.3-61.5-71.4000111H494 A495 Y500 L501H494-H498 AromaticContact CD2-CD2 3.73Å; H494-H498 AromaticContact CD2-NE2 4Å; H494-H498 AromaticContact CE1-CD2 3.61Å; H494-H498 AromaticContact CG-CD2 3.83Å; H494-H498 AromaticContact ND1-CD2 3.75Å; H494-H498 AromaticContact NE2-CD2 3.61Å; H494-H498 AromaticContact NE2-NE2 3.86Å; H494-H498 PolarHBondContact O-CD2 2.98Å; H494-H498 VanDerWaalsContact O-CD2 3.25Å; H494-H498 PolarHBondContact O-N 3.32Å; H494-H498 VanDerWaalsContact O-N 3.14Å; A495-H498 CarbonylContact O-C 3.32Å; A495-H498 PolarHBondContact O-N 3.03Å; H498-Y500 PolarHBondContact O-N 3.38Å; H498-Y500 VanDerWaalsContact O-N 3.11Å; H498-L501 HydrophobicContact CB-CB 3.98Å; H498-L501 HydrophobicContact CB-CD2 4.49Å; H498-L501 WeakPolarHBondContact O-CB 3.38Å; H498-L501 PolarHBondContact O-N 3.09Å
499P82.6Confident86.2Confident101 Ų10193.9 Ų93.966%0.65648%0.482SS*.THydrogen-bonded Turntrans-65.5-16.5-171.728.3-37.3000114.5R497R497-P499 VanDerWaalsContact C-CD 3.43Å; R497-P499 WeakPolarHBondContact O-CD 3.31Å
500Y83.8Confident86.2Confident224 Ų22494.1 Ų94.188%0.87849%0.492SS*.THydrogen-bonded Turntrans-96.8-2.5178-52-57.6000113.6H498H498-Y500 PolarHBondContact O-N 3.38Å; H498-Y500 VanDerWaalsContact O-N 3.11Å
501L83.6Confident86.2Confident102 Ų10295.9 Ų95.953%0.53450%0.5SS..SBendtrans-87.9124.9178.6-166.375.2000109.7H498 I503H498-L501 HydrophobicContact CB-CB 3.98Å; H498-L501 HydrophobicContact CB-CD2 4.49Å; H498-L501 WeakPolarHBondContact O-CB 3.38Å; H498-L501 PolarHBondContact O-N 3.09Å; L501-I503 PolarHBondContact O-N 2.96Å
502P85.4Confident86.1Confident119 Ų11989 Ų8977%0.77348%0.475SS*.PPolyproline II helixtrans-67.4122.6-177.426.5-33.8000111.4
503I90.3Very high86.2Confident93 Ų9391.7 Ų91.748%0.47749%0.49SS..PPolyproline II helixtrans-78.8132.2175.2-56.9174000108.8L490 A495 L501 S505 I508L490-I503 HydrophobicContact CD1-CD1 4.05Å; L490-I503 HydrophobicContact CD1-CG2 3.87Å; A495-I503 HydrophobicContact CB-CD1 3.98Å; L501-I503 PolarHBondContact O-N 2.96Å; I503-S505 VanDerWaalsContact C-N 3.29Å; I503-S505 PolarHBondContact O-N 3.2Å; I503-I508 HydrophobicContact CG2-CD1 3.55Å
504N87.3Confident86.4Confident98 Ų9886 Ų8652%0.52448%0.484SS..  trans-6984.3175.9-172.6-15.9000111.3A506 A507 I508N504-A506 PolarHBondContact O-N 2.91Å; N504-A506 PolarHBondContact OD1-N 3Å; N504-A507 HydrophobicContact CB-CB 4.38Å; N504-A507 PolarHBondContact OD1-N 3.31Å; N504-I508 WeakPolarHBondContact O-CG1 3.12Å; N504-I508 PolarHBondContact O-N 3.43Å
505S86.4Confident86.1Confident72 Ų7288.5 Ų88.550%0.50349%0.491SS..Hα-helixtrans-71.1-16.1-178.971.90000113.9I503 K509I503-S505 VanDerWaalsContact C-N 3.29Å; I503-S505 PolarHBondContact O-N 3.2Å; S505-K509 WeakPolarHBondContact O-CD 3.42Å; S505-K509 WeakPolarHBondContact O-CG 3.28Å; S505-K509 PolarHBondContact O-N 3.11Å
506A88.8Confident85.8Confident65 Ų6591.2 Ų91.254%0.53750%0.502SS..Hα-helixtrans-74.7-50.7175.200000110.8N504 I508 K509 A510N504-A506 PolarHBondContact O-N 2.91Å; N504-A506 PolarHBondContact OD1-N 3Å; A506-I508 VanDerWaalsContact C-N 3.33Å; A506-I508 PolarHBondContact O-N 3.41Å; A506-K509 PolarHBondContact O-N 2.78Å; A506-K509 VanDerWaalsContact O-N 3.1Å; A506-A510 PolarHBondContact O-N 3.31Å
507A88.8Confident85.5Confident34 Ų3490.9 Ų90.928%0.28149%0.492SS..Hα-helixtrans-58.4-43.5176.200000112.2I489 N504 K509 A510 E511I489-A507 HydrophobicContact CG2-CB 4.19Å; N504-A507 HydrophobicContact CB-CB 4.38Å; N504-A507 PolarHBondContact OD1-N 3.31Å; A507-K509 VanDerWaalsContact C-N 3.32Å; A507-K509 PolarHBondContact O-N 2.81Å; A507-A510 PolarHBondContact O-N 3.3Å; A507-E511 PolarHBondContact O-N 3.48Å
508I88.2Confident84.4Confident18 Ų1888 Ų889%0.09249%0.487CS..Hα-helixtrans-63.4-35.3176.7-66.3171.4000112C486 I489 L490 I503 N504 A506 C512C486-I508 HydrophobicContact CB-CG1 4.37Å; C486-I508 HydrophobicContact CB-CG2 4.09Å; C486-I508 PolarHBondContact SG-O 3.11Å; I489-I508 HydrophobicContact CB-CG1 4.14Å; I489-I508 HydrophobicContact CG2-CD1 4.44Å; I489-I508 HydrophobicContact CG2-CG1 3.7Å; L490-I508 HydrophobicContact CB-CD1 3.97Å; L490-I508 HydrophobicContact CD1-CD1 3.87Å; L490-I508 HydrophobicContact CG-CD1 4.49Å; I503-I508 HydrophobicContact CG2-CD1 3.55Å; N504-I508 WeakPolarHBondContact O-CG1 3.12Å; N504-I508 PolarHBondContact O-N 3.43Å; A506-I508 VanDerWaalsContact C-N 3.33Å; A506-I508 PolarHBondContact O-N 3.41Å; I508-C512 WeakPolarHBondContact O-CB 3.18Å; I508-C512 PolarHBondContact O-N 2.96Å; I508-C512 VanDerWaalsContact O-N 3.14Å
509K89.1Confident83.3Confident145 Ų14585 Ų8563%0.6348%0.477SS*.Hα-helixtrans-68.2-50.4174.7-77.3168.8-177.1178.50110.9S505 A506 A507 C512 T513S505-K509 WeakPolarHBondContact O-CD 3.42Å; S505-K509 WeakPolarHBondContact O-CG 3.28Å; S505-K509 PolarHBondContact O-N 3.11Å; A506-K509 PolarHBondContact O-N 2.78Å; A506-K509 VanDerWaalsContact O-N 3.1Å; A507-K509 VanDerWaalsContact C-N 3.32Å; A507-K509 PolarHBondContact O-N 2.81Å; K509-C512 PolarHBondContact O-N 3.24Å; K509-T513 PolarHBondContact O-N 3.42Å; K509-T513 PolarHBondContact O-OG1 3Å
510A88.2Confident82.3Confident60 Ų6084.6 Ų84.650%0.49648%0.477SS..Hα-helixtrans-60.3-50.2-176.900000112.5A506 A507 T513 A514A506-A510 PolarHBondContact O-N 3.31Å; A507-A510 PolarHBondContact O-N 3.3Å; A510-T513 PolarHBondContact O-N 3.26Å; A510-T513 PolarHBondContact O-OG1 3.15Å; A510-A514 PolarHBondContact O-N 3Å
511E86.4Confident81.2Confident58 Ų5882.1 Ų82.127%0.27147%0.473SS..Hα-helixtrans-69.6-34.5178.5-163.2-170.5103.100111.7I489 A507 T513 A514 R515I489-E511 HydrophobicContact CD1-CB 3.63Å; I489-E511 VanDerWaalsContact CD1-CD 3.43Å; I489-E511 HydrophobicContact CD1-CG 4.14Å; I489-E511 VanDerWaalsContact CD1-OE2 3.24Å; I489-E511 WeakPolarHBondContact CD1-OE2 3.41Å; A507-E511 PolarHBondContact O-N 3.48Å; E511-T513 VanDerWaalsContact C-N 3.31Å; E511-T513 PolarHBondContact O-N 3.28Å; E511-A514 PolarHBondContact O-N 3.19Å; E511-R515 VanDerWaalsContact CD-NH1 3.27Å; E511-R515 HydrophobicContact CG-CG 4.35Å; E511-R515 WeakPolarHBondContact O-CB 3.05Å; E511-R515 PolarHBondContact O-N 3Å; E511-R515 IonicContact OE1-CZ 3.95Å; E511-R515 IonicContact OE1-NH1 3.23Å; E511-R515 PolarHBondContact OE1-NH1 3.34Å; E511-R515 IonicContact OE2-NH1 3.31Å
512C86.8Confident80Confident6 Ų680.9 Ų80.94%0.04147%0.473CS..Hα-helixtrans-63.6-37.3174.2-176.30000111.8A482 C486 I508 K509 L516A482-C512 VanDerWaalsContact CA-SG 3.6Å; A482-C512 HydrophobicContact CB-CB 3.98Å; A482-C512 WeakPolarHBondContact CB-SG 3.45Å; C486-C512 PolarHBondContact SG-N 3.5Å; C486-C512 VanDerWaalsContact SG-N 3.37Å; I508-C512 WeakPolarHBondContact O-CB 3.18Å; I508-C512 PolarHBondContact O-N 2.96Å; I508-C512 VanDerWaalsContact O-N 3.14Å; K509-C512 PolarHBondContact O-N 3.24Å; C512-L516 WeakPolarHBondContact O-CB 3.37Å; C512-L516 PolarHBondContact O-N 3.34Å
513T86.2Confident78.9Confident102 Ų10280.2 Ų80.263%0.62647%0.469SS*.Hα-helixtrans-70.1-37.6174.740.30000112.4K509 A510 E511K509-T513 PolarHBondContact O-N 3.42Å; K509-T513 PolarHBondContact O-OG1 3Å; A510-T513 PolarHBondContact O-N 3.26Å; A510-T513 PolarHBondContact O-OG1 3.15Å; E511-T513 VanDerWaalsContact C-N 3.31Å; E511-T513 PolarHBondContact O-N 3.28Å
514A85.7Confident77.5Confident69 Ų6980.5 Ų80.557%0.5747%0.471SS*.Hα-helixtrans-67.2-41.8177.700000112.9A510 E511 P517A510-A514 PolarHBondContact O-N 3Å; E511-A514 PolarHBondContact O-N 3.19Å; A514-P517 WeakPolarHBondContact O-CD 3.39Å
515R80.6Confident76.2Confident117 Ų11782 Ų8244%0.44248%0.483SS..Hα-helixtrans-88.7-5.5-176.9-72.9-176.1154.3153.9-6115.3E511 A519E511-R515 VanDerWaalsContact CD-NH1 3.27Å; E511-R515 HydrophobicContact CG-CG 4.35Å; E511-R515 WeakPolarHBondContact O-CB 3.05Å; E511-R515 PolarHBondContact O-N 3Å; E511-R515 IonicContact OE1-CZ 3.95Å; E511-R515 IonicContact OE1-NH1 3.23Å; E511-R515 PolarHBondContact OE1-NH1 3.34Å; E511-R515 IonicContact OE2-NH1 3.31Å; R515-A519 VanDerWaalsContact O-CB 3.3Å; R515-A519 WeakPolarHBondContact O-CB 3.45Å; R515-A519 PolarHBondContact O-N 3.17Å; R515-A519 VanDerWaalsContact O-N 3.16Å
516L79.1Confident75Confident76 Ų7684 Ų8440%0.39849%0.488SS..THydrogen-bonded Turntrans-62.9-38.6-179.7-161.663.3000114.1L478 L485 C512 S520L478-L516 HydrophobicContact CD1-CD1 4.44Å; L478-L516 HydrophobicContact CD1-CD2 4.27Å; L485-L516 HydrophobicContact CD1-CD1 4.23Å; C512-L516 WeakPolarHBondContact O-CB 3.37Å; C512-L516 PolarHBondContact O-N 3.34Å; L516-S520 PolarHBondContact O-N 3.44Å
517P76.3Confident73.7Confident79 Ų7990 Ų9051%0.51350%0.502SS..THydrogen-bonded Turntrans-64.8-49.2177.6-21.534.6000112.5A514 A519 S520A514-P517 WeakPolarHBondContact O-CD 3.39Å; P517-A519 VanDerWaalsContact C-N 3.31Å; P517-A519 PolarHBondContact O-N 3.24Å; P517-S520 WeakPolarHBondContact O-CB 3.48Å; P517-S520 PolarHBondContact O-N 3.04Å; P517-S520 PolarHBondContact O-OG 3.28Å
518E65.6Low72.6Confident121 Ų12196.6 Ų96.657%0.56553%0.527SS*.Hα-helixtrans-59.4-42.1179.6-57.5174.6153.600111.6S520 Q521 S522E518-S520 PolarHBondContact O-N 3.25Å; E518-Q521 PolarHBondContact O-N 2.68Å; E518-Q521 VanDerWaalsContact O-N 3.13Å; E518-S522 PolarHBondContact O-N 2.9Å; E518-S522 PolarHBondContact O-OG 3.08Å
519A60.3Low71.7Confident26 Ų26100.2 Ų100.222%0.21556%0.559CS.*Hα-helixtrans-70.6-9.4178.200000114.6L485 R515 P517L485-A519 HydrophobicContact CD1-CB 4.43Å; L485-A519 HydrophobicContact CD2-CB 3.54Å; R515-A519 VanDerWaalsContact O-CB 3.3Å; R515-A519 WeakPolarHBondContact O-CB 3.45Å; R515-A519 PolarHBondContact O-N 3.17Å; R515-A519 VanDerWaalsContact O-N 3.16Å; P517-A519 VanDerWaalsContact C-N 3.31Å; P517-A519 PolarHBondContact O-N 3.24Å
520S61.2Low71.5Confident93 Ų9399.6 Ų99.665%0.6557%0.567SS**Hα-helixtrans-82.4-28.6170.3770000112.4L516 P517 E518L516-S520 PolarHBondContact O-N 3.44Å; P517-S520 WeakPolarHBondContact O-CB 3.48Å; P517-S520 PolarHBondContact O-N 3.04Å; P517-S520 PolarHBondContact O-OG 3.28Å; E518-S520 PolarHBondContact O-N 3.25Å
521Q60.4Low71.4Confident172 Ų172107.8 Ų107.880%0.80459%0.586SS**Hα-helixtrans-86.7-26.6179-60.8-179-2.200112.2E518E518-Q521 PolarHBondContact O-N 2.68Å; E518-Q521 VanDerWaalsContact O-N 3.13Å
522S59.3Low71.5Confident76 Ų76113 Ų11353%0.53161%0.607SS.*SBendtrans-124.992.7176.955.50000111.4E518 L524E518-S522 PolarHBondContact O-N 2.9Å; E518-S522 PolarHBondContact O-OG 3.08Å; S522-L524 PolarHBondContact O-N 2.89Å
523P60.9Low71.7Confident105 Ų105116.8 Ų116.868%0.68263%0.632SS**  trans-67.1122.8-17525.6-33.6000111.6V525P523-V525 PolarHBondContact O-N 3.34Å
524L62.6Low71.7Confident98 Ų98118 Ų11851%0.51363%0.634SS.*  trans-57.2101.5-178.8-67.9176.9000112.2L485 S522 L526L485-L524 HydrophobicContact CD2-CD1 3.84Å; L485-L524 HydrophobicContact CG-CD1 4.22Å; S522-L524 PolarHBondContact O-N 2.89Å; L524-L526 PolarHBondContact O-N 3.24Å
525V60.4Low71.9Confident129 Ų129119.7 Ų119.778%0.78263%0.63SS**  trans-61.5107.7-179.1179.90000110.9P523 K527P523-V525 PolarHBondContact O-N 3.34Å; V525-K527 PolarHBondContact O-N 3Å
526L60Low72.3Confident115 Ų115116.1 Ų116.160%0.60263%0.625SS**  trans-7690.8172.4-86.7108.3000111L524 Q528L524-L526 PolarHBondContact O-N 3.24Å; L526-Q528 PolarHBondContact O-N 3.33Å
527K61Low72.8Confident191 Ų191115.4 Ų115.483%0.8362%0.624SS**  trans-57.1111157.2-67.8-170.3177.8-175.60108.3V525 A529V525-K527 PolarHBondContact O-N 3Å; K527-A529 PolarHBondContact O-N 2.99Å
528Q65.4Low73.3Confident173 Ų173115.2 Ų115.281%0.80862%0.618SS**  trans-62.9118.6177.6-178.8173.3-7.300109L526 V530L526-Q528 PolarHBondContact O-N 3.33Å; Q528-V530 VanDerWaalsContact C-N 3.35Å; Q528-V530 PolarHBondContact O-N 2.9Å
529A71Confident74.4Confident94 Ų94116.8 Ų116.878%0.77762%0.619SS**  trans-7389.3179.100000110K527 R531K527-A529 PolarHBondContact O-N 2.99Å; A529-R531 PolarHBondContact O-N 3.08Å
530V84.6Confident75.8Confident132 Ų132121.9 Ų121.980%0.863%0.634SS**PPolyproline II helixtrans-58.7117.9173.7-176.70000108.5Q528Q528-V530 VanDerWaalsContact C-N 3.35Å; Q528-V530 PolarHBondContact O-N 2.9Å
531R84.7Confident77Confident232 Ų232122.5 Ų122.588%0.87563%0.629SS**PPolyproline II helixtrans-78.5135.4173.6-71.6-175.6170.2-171-4.2109A529A529-R531 PolarHBondContact O-N 3.08Å
532K89.6Confident78.3Confident168 Ų168120.7 Ų120.773%0.7362%0.621SS**PPolyproline II helixtrans-60.5141.7168.6-67.7-172.5176-1730109.5A536K532-A536 HydrophobicContact CB-CB 4.37Å
533P90.7Very high79.6Confident85 Ų85121.8 Ų121.855%0.55262%0.624SS**PPolyproline II helixtrans-66.4157.7175.229.7-35.5000110.8E535 A536 V537P533-E535 PolarHBondContact O-N 3.04Å; P533-A536 HydrophobicContact CG-CB 4.01Å; P533-A536 PolarHBondContact O-N 3.23Å; P533-V537 PolarHBondContact O-N 3.14Å
534L85.6Confident80.8Confident127 Ų127122 Ų12267%0.66562%0.615SS**Hα-helixtrans-54.5-41.2-179.8179.460.2000112.1A536 V537 L538L534-A536 VanDerWaalsContact C-N 3.3Å; L534-A536 PolarHBondContact O-N 3.03Å; L534-V537 CarbonylContact O-C 3.59Å; L534-V537 WeakPolarHBondContact O-CA 3.37Å; L534-V537 WeakPolarHBondContact O-CB 3.36Å; L534-V537 PolarHBondContact O-N 3.06Å; L534-L538 HydrophobicContact CD1-CG 4.37Å; L534-L538 HydrophobicContact CG-CD1 4.22Å; L534-L538 HydrophobicContact CG-CG 4.29Å; L534-L538 PolarHBondContact O-N 2.82Å
535E89.7Confident81.7Confident104 Ų104121.7 Ų121.749%0.48662%0.62SS.*Hα-helixtrans-48.6-46.2173.7179.155.2-149.500113.4P533 V537 L538 R539P533-E535 PolarHBondContact O-N 3.04Å; E535-V537 PolarHBondContact O-N 3.06Å; E535-L538 PolarHBondContact O-N 3.21Å; E535-R539 PolarHBondContact O-N 2.87Å; E535-R539 VanDerWaalsContact O-N 3.08Å; E535-R539 IonicContact OE1-CZ 3.08Å; E535-R539 IonicContact OE1-NH1 3.03Å; E535-R539 PolarHBondContact OE1-NH1 3.04Å
536A90.5Very high82.1Confident42 Ų42125.4 Ų125.435%0.34762%0.62SS.*Hα-helixtrans-74.6-13.3179.200000113.4K532 P533 L534 Y540K532-A536 HydrophobicContact CB-CB 4.37Å; P533-A536 HydrophobicContact CG-CB 4.01Å; P533-A536 PolarHBondContact O-N 3.23Å; L534-A536 VanDerWaalsContact C-N 3.3Å; L534-A536 PolarHBondContact O-N 3.03Å; A536-Y540 WeakPolarHBondContact O-CB 3.35Å
537V88.9Confident82.8Confident62 Ų62124.7 Ų124.738%0.37662%0.622SS.*Hα-helixtrans-88.6-38.3171.8-1760000110.5P533 L534 E535 Y540 L541P533-V537 PolarHBondContact O-N 3.14Å; L534-V537 CarbonylContact O-C 3.59Å; L534-V537 WeakPolarHBondContact O-CA 3.37Å; L534-V537 WeakPolarHBondContact O-CB 3.36Å; L534-V537 PolarHBondContact O-N 3.06Å; E535-V537 PolarHBondContact O-N 3.06Å; V537-Y540 WeakPolarHBondContact O-CB 3.43Å; V537-Y540 PolarHBondContact O-N 3.03Å; V537-L541 HydrophobicContact CG1-CD1 4.26Å; V537-L541 WeakPolarHBondContact O-CG 3.4Å; V537-L541 PolarHBondContact O-N 3.19Å
538L86.3Confident83Confident74 Ų74121.4 Ų121.439%0.38762%0.62SS.*Hα-helixtrans-61.7-54174.8-65.8175.9000110.8L534 E535 Y540 L541 E542L534-L538 HydrophobicContact CD1-CG 4.37Å; L534-L538 HydrophobicContact CG-CD1 4.22Å; L534-L538 HydrophobicContact CG-CG 4.29Å; L534-L538 PolarHBondContact O-N 2.82Å; E535-L538 PolarHBondContact O-N 3.21Å; L538-Y540 PolarHBondContact O-N 3.21Å; L538-Y540 VanDerWaalsContact O-N 3.12Å; L538-L541 PolarHBondContact O-N 2.9Å; L538-E542 WeakPolarHBondContact O-CG 3.42Å; L538-E542 PolarHBondContact O-N 2.96Å
539R88.9Confident82.3Confident155 Ų155120.9 Ų120.959%0.58562%0.615SS**Hα-helixtrans-53.1-34.8172.1-95.8-175.3164.6100.2-9.3113.7E535 T543E535-R539 PolarHBondContact O-N 2.87Å; E535-R539 VanDerWaalsContact O-N 3.08Å; E535-R539 IonicContact OE1-CZ 3.08Å; E535-R539 IonicContact OE1-NH1 3.03Å; E535-R539 PolarHBondContact OE1-NH1 3.04Å; R539-T543 WeakPolarHBondContact O-CB 3.37Å; R539-T543 WeakPolarHBondContact O-CG2 3.47Å; R539-T543 PolarHBondContact O-N 3.12Å; R539-T543 PolarHBondContact O-OG1 2.69Å
540Y90.6Very high81.7Confident133 Ų133122.2 Ų122.252%0.52262%0.616SS.*Hα-helixtrans-69.8-41.1177.3-179.2-98.4000112A536 V537 L538 T543 H544A536-Y540 WeakPolarHBondContact O-CB 3.35Å; V537-Y540 WeakPolarHBondContact O-CB 3.43Å; V537-Y540 PolarHBondContact O-N 3.03Å; L538-Y540 PolarHBondContact O-N 3.21Å; L538-Y540 VanDerWaalsContact O-N 3.12Å; Y540-T543 WeakPolarHBondContact CA-OG1 3.48Å; Y540-T543 PolarHBondContact O-OG1 2.91Å; Y540-T543 VanDerWaalsContact O-OG1 3.13Å; Y540-H544 AromaticContact CD2-CE1 3.67Å; Y540-H544 AromaticContact CD2-ND1 3.62Å; Y540-H544 AromaticContact CE2-CE1 3.32Å; Y540-H544 WeakPolarHBondContact CE2-CE1 3.42Å; Y540-H544 AromaticContact CE2-CG 3.94Å; Y540-H544 AromaticContact CE2-ND1 3.48Å; Y540-H544 WeakPolarHBondContact CE2-ND1 3.34Å; Y540-H544 AromaticContact CE2-NE2 3.63Å; Y540-H544 AromaticContact CZ-CG 3.95Å; Y540-H544 AromaticContact CZ-ND1 3.94Å; Y540-H544 WeakPolarHBondContact O-CB 3.23Å; Y540-H544 PolarHBondContact O-N 3.23Å; Y540-H544 PolarHBondContact O-ND1 3.19Å
541L86.7Confident79.9Confident106 Ų106122.5 Ų122.556%0.55561%0.613SS**Hα-helixtrans-70.2-34176.2-67.6168.2000112.5V537 L538 H544V537-L541 HydrophobicContact CG1-CD1 4.26Å; V537-L541 WeakPolarHBondContact O-CG 3.4Å; V537-L541 PolarHBondContact O-N 3.19Å; L538-L541 PolarHBondContact O-N 2.9Å; L541-H544 CarbonylContact O-C 3.58Å; L541-H544 VanDerWaalsContact O-C 3.28Å
542E86.6Confident77.9Confident134 Ų134117.4 Ų117.463%0.62661%0.61SS**Hα-helixtrans-69.4-38.7174.9-70.7161-172.400112.4L538L538-E542 WeakPolarHBondContact O-CG 3.42Å; L538-E542 PolarHBondContact O-N 2.96Å
543T87.3Confident75.5Confident98 Ų98116.1 Ų116.160%0.60162%0.616SS**Hα-helixtrans-80.2-16.9175.949.90000113.8R539 Y540 P545R539-T543 WeakPolarHBondContact O-CB 3.37Å; R539-T543 WeakPolarHBondContact O-CG2 3.47Å; R539-T543 PolarHBondContact O-N 3.12Å; R539-T543 PolarHBondContact O-OG1 2.69Å; Y540-T543 WeakPolarHBondContact CA-OG1 3.48Å; Y540-T543 PolarHBondContact O-OG1 2.91Å; Y540-T543 VanDerWaalsContact O-OG1 3.13Å; T543-P545 WeakPolarHBondContact O-CD 3.41Å
544H85.4Confident72.9Confident109 Ų109121.5 Ų121.551%0.50563%0.631SS.*SBendtrans-121.659.8175.5-58.668.7000109.9Y540 L541Y540-H544 AromaticContact CD2-CE1 3.67Å; Y540-H544 AromaticContact CD2-ND1 3.62Å; Y540-H544 AromaticContact CE2-CE1 3.32Å; Y540-H544 WeakPolarHBondContact CE2-CE1 3.42Å; Y540-H544 AromaticContact CE2-CG 3.94Å; Y540-H544 AromaticContact CE2-ND1 3.48Å; Y540-H544 WeakPolarHBondContact CE2-ND1 3.34Å; Y540-H544 AromaticContact CE2-NE2 3.63Å; Y540-H544 AromaticContact CZ-CG 3.95Å; Y540-H544 AromaticContact CZ-ND1 3.94Å; Y540-H544 WeakPolarHBondContact O-CB 3.23Å; Y540-H544 PolarHBondContact O-N 3.23Å; Y540-H544 PolarHBondContact O-ND1 3.19Å; L541-H544 CarbonylContact O-C 3.58Å; L541-H544 VanDerWaalsContact O-C 3.28Å
545P81.3Confident70.5Confident93 Ų93120.6 Ų120.660%0.60464%0.635SS**PPolyproline II helixtrans-62.2142.4-177.629.2-35.3000109.6T543 P547T543-P545 WeakPolarHBondContact O-CD 3.41Å; P545-P547 WeakPolarHBondContact O-CD 3.49Å
546R69.9Low67.7Low206 Ų206122.7 Ų122.778%0.77766%0.655SS**PPolyproline II helixtrans-62.5121.9179.4-170.6-176-166.7152.49.9108.9
547P74.6Confident65Low101 Ų101126.2 Ų126.266%0.65668%0.677SS**PPolyproline II helixtrans-58.9145.2173.325.2-33.6000109.3P545 K549P545-P547 WeakPolarHBondContact O-CD 3.49Å; P547-K549 PolarHBondContact O-N 2.99Å
548P64.5Low62.1Low122 Ų122128.9 Ų128.979%0.79270%0.698SS**PPolyproline II helixtrans-55.6133.517923.8-33.2000109.2
549K51.3Low59.5Low161 Ų161131.1 Ų131.170%0.772%0.715SS**PPolyproline II helixtrans-60.9132.3168.1-81.7-172.8174.4-172.10107.3P547P547-K549 PolarHBondContact O-N 2.99Å
550P57.6Low56.6Low122 Ų122130.9 Ų130.979%0.79272%0.724SS**PPolyproline II helixtrans-61.1140.5164.327.8-33.4000109
551D46.4Very low53.6Low138 Ų138129.8 Ų129.874%0.73874%0.736SS**PPolyproline II helixtrans-62.2151.7176.7-71-62.2000111.5V553D551-V553 VanDerWaalsContact C-N 3.35Å; D551-V553 PolarHBondContact O-N 3.13Å
552P42.9Very low50.8Low125 Ų125129.7 Ų129.781%0.81274%0.744SS**  trans-70.688.6179.629.3-34.8000111K554P552-K554 PolarHBondContact O-N 2.98Å
553V40.9Very low48.1Very low141 Ų141130.8 Ų130.886%0.85575%0.754SS**  trans-59132178.1-1720000110.6D551D551-V553 VanDerWaalsContact C-N 3.35Å; D551-V553 PolarHBondContact O-N 3.13Å
554K34.2Very low45.5Very low198 Ų198132.4 Ų132.486%0.86176%0.763SS**  trans-80.1119.4175.5-69179177.9177.20110.9P552P552-K554 PolarHBondContact O-N 2.98Å
555S35.2Very low43.1Very low109 Ų109133.2 Ų133.276%0.76278%0.778SS**  trans50.1111.7148.2175.40000119.8
556V31.6Very low40.6Very low148 Ų148133.5 Ų133.590%0.89779%0.788SS**  -152162.5119.4-106.30000110.6
557S33.8Very low38.6Very low115 Ų115133.5 Ų133.580%0.80479%0.794SS**  trans-105134.5177.5-176.60000111.1
558S27.7Very low36.2Very low118 Ų118133.8 Ų133.883%0.82581%0.805SS**  trans-154.6165.1163.561.40000110.2
559V31.3Very low34.5Very low122 Ų122132.4 Ų132.474%0.73980%0.804SS**  trans-131.9152.3-158.7-177.30000111.9
560L28.6Very low33.7Very low149 Ų149130.3 Ų130.378%0.7881%0.807SS**  trans134116.6159.8-90.186.8000109.6
561S27.7Very low32.2Very low110 Ų110131.6 Ų131.677%0.76981%0.812SS**  72.2127.280.7-59.70000112.2
562S28.1Very low31.2Very low104 Ų104131.4 Ų131.473%0.72781%0.809SS**  cis-151169.74.956.60000108.7
563L30.9Very low30.3Very low158 Ų158133 Ų13383%0.82781%0.811SS**  -158162.658.1-77.7164.8000111.9
564T31.4Very low29.7Very low131 Ų131133.3 Ų133.380%0.80481%0.808SS**  trans-134.9156.4164.367.60000108.4
565P36.4Very low29.3Very low127 Ų127127.7 Ų127.783%0.82581%0.806SS**  -142.6-173.782.440.1-21.8000111.9
566A27.5Very low29.1Very low98 Ų98128 Ų12881%0.8181%0.808SS**  cis-141.4166.61000000112.8
567K27.5Very low29.4Very low206 Ų206126.9 Ų126.990%0.89680%0.804SS**  trans-89.2153.8179.5-62.5173.8-179.8173.10112.3
568A24.4Very low29.5Very low107 Ų107127.9 Ų127.988%0.88481%0.806SS**  trans-118.6145.6138.300000108
569A29.4Very low29.6Very low93 Ų93129.9 Ų129.977%0.76981%0.806SS**  trans-96.4164.4-167.600000112.9
570P33.9Very low29.6Very low118 Ų118131.8 Ų131.877%0.76681%0.811SS**  trans-89.6166.7-16936.6-36.2000113.8
571V25.4Very low29.7Very low149 Ų149127.8 Ų127.890%0.90381%0.806SS**  trans-115.1141.1156.5177.90000108.3
572I25.9Very low29.9Very low133 Ų133132.4 Ų132.468%0.68281%0.812SS**  trans-84.4143.2-167.8-63160.2000111.2
573N25.5Very low29.9Very low160 Ų160139.2 Ų139.286%0.85682%0.822SS**  trans-145.2128.5141.4-160.16.7000109.8
574N28.1Very low29.7Very low146 Ų146137.4 Ų137.478%0.78182%0.822SS**  trans-100.2140.7-173.9-72.6-19.1000110.8
575G25.9Very low29.5Very low80 Ų80140.3 Ų140.383%0.82582%0.82SS**  trans174.857.6-176.500000115.1
576S29.2Very low29Very low115 Ų115142.5 Ų142.580%0.80482%0.819SS**  trans-75.9174180-50.30000113.5
577P38.8Very low29.1Very low126 Ų126145.5 Ų145.582%0.81882%0.817SS**  cis-131.2-176.7-36.631.2-11.3000113.5
578T35.4Very low29Very low136 Ų136143 Ų14383%0.83481%0.807SS**  trans-96.5149.9179.349.70000115.6
579I30.8Very low29.3Very low160 Ų160145.7 Ų145.782%0.82181%0.807SS**  trans-161.9138.5160.4-101.1154.2000105.2
580L30.1Very low29.2Very low161 Ų161143.6 Ų143.684%0.84379%0.794SS**  cis-143.5176.3-11.9-96.4166.8000106.6
581G31.6Very low29Very low66 Ų66144.3 Ų144.368%0.6880%0.796SS**  cis125.394.95.900000111.6
582K32.7Very low29.2Very low206 Ų206144.7 Ų144.790%0.89679%0.793SS**  trans-98.3124.1177.2-77.1-167.7177-169.90112.1
583R28Very low29.2Very low247 Ų247141.8 Ų141.893%0.93280%0.797SS**  172.6172122.8-95.5174.1-172.9-116.31.7111.6
584S26.2Very low29.2Very low120 Ų120140.1 Ų140.184%0.83979%0.787SS**  trans-55.5154.2-169.9-42.30000115.7
585Y25.8Very low29.1Very low192 Ų192142.1 Ų142.175%0.75380%0.795SS**  trans-138.6137.3152.9-168.1-111.8000109.4Q587Y585-Q587 WeakPolarHBondContact CE1-O 3.43Å; Y585-Q587 PolarHBondContact OH-O 3.06Å
586E27.2Very low29.3Very low174 Ų174146.4 Ų146.481%0.81379%0.79SS**  trans-146.1142.6178.2-172.8165.8-168.100106.4
587Q28.4Very low29.2Very low161 Ų161150.4 Ų150.475%0.75279%0.793SS**  trans59101.1-166.5-52.8-179-3.500114.9Y585Y585-Q587 WeakPolarHBondContact CE1-O 3.43Å; Y585-Q587 PolarHBondContact OH-O 3.06Å
588H27.2Very low28.7Very low152 Ų152156.2 Ų156.270%0.70480%0.799SS**  16713488.8-144.2-113.5000111
589N29.2Very low28.3Very low165 Ų165157.3 Ų157.388%0.88280%0.799SS**  trans-146.4116163.2-113.9-1.3000108
590G28.6Very low28.1Very low48 Ų48157.3 Ų157.350%0.49580%0.8SS.*  trans-75.2146.8163.400000109.9
591V28.5Very low27.9Very low134 Ų134157.2 Ų157.281%0.81280%0.797SS**  62.9115.384.5178.20000109.7
592D29.9Very low28Very low156 Ų156160 Ų16083%0.83480%0.803SS**  cis-137.2166.947.7-124.4-51.6000116.2
593G25.9Very low27.6Very low73 Ų73155.4 Ų155.475%0.75380%0.796SS**  trans179.68.1-177.400000120.9
594N25.9Very low27.6Very low124 Ų124155.9 Ų155.966%0.66380%0.798SS**  trans5.6112.2168179.614.1000121.2K596N594-K596 PolarHBondContact OD1-N 3.11Å
595M26.8Very low27.6Very low189 Ų189153.4 Ų153.493%0.93179%0.792SS**  trans-144.390.7143.3-85.1-143.6173.900115
596K28.4Very low27.7Very low169 Ų169152.6 Ų152.674%0.73580%0.799SS**  trans36117.4142.5-66.6172.6-178168.50122.5N594N594-K596 PolarHBondContact OD1-N 3.11Å
597K27.6Very low27.6Very low200 Ų200148.7 Ų148.787%0.8780%0.797SS**  trans65.4119.9131.1-61.3-177177.2-172.90121.1
598R28Very low27.5Very low248 Ų248148.7 Ų148.794%0.93680%0.802SS**  -155.2151.292-170.3170.1-77.5-137.82.7110.6
599L27Very low27.6Very low158 Ų158150.4 Ų150.483%0.82781%0.81SS**  trans-93.7151.6179.5-65.7153.9000111
600L27.5Very low27.4Very low161 Ų161145.8 Ų145.884%0.84380%0.801SS**  -161131.3122.2-13173.6000112.2
601M26.5Very low27.4Very low158 Ų158153.2 Ų153.278%0.77882%0.823SS**  trans-124.1161.3157.1-82.2-82103.300106.4
602P31.9Very low27.3Very low126 Ų126152.8 Ų152.882%0.81882%0.821SS**  -139.1138.512035.2-23.8000113.6
603S26Very low27.1Very low108 Ų108156.6 Ų156.676%0.75582%0.824SS**  trans-104.6135.6173.1-56.20000111.7
604R27.6Very low27.2Very low257 Ų257161.5 Ų161.597%0.9783%0.827SS**  trans-146.1137.8156.2-74.4-176172.3-177.3-3.1107.3
605G26.2Very low27.2Very low68 Ų68164.8 Ų164.870%0.70184%0.841SS**  cis156.7112.2-1100000112.2
606L26.8Very low27.2Very low175 Ų175158.7 Ų158.792%0.91683%0.826SS**  trans63.5127.6173.6-57.6163.1000114.9
607A26.5Very low27.3Very low93 Ų93157 Ų15777%0.76983%0.832SS**  cis88.11253400000114.6
608N26.4Very low27.4Very low160 Ų160153.3 Ų153.386%0.85683%0.832SS**  trans-153.8154.1157-141-17.2000111.4
609H28.7Very low27.4Very low189 Ų189152.1 Ų152.188%0.87583%0.827SS**  trans-75.8160.2175.4-67.8-85.7000111
610G24.9Very low27.2Very low67 Ų67151 Ų15169%0.69182%0.822SS**  cis130.7154.11.600000111.7
611Q28.1Very low27.1Very low204 Ų204150 Ų15095%0.95382%0.816SS**  trans-153.7156.1167-116.8-17945.800112.1
612T26.5Very low27.2Very low125 Ų125149.7 Ų149.777%0.76782%0.817SS**  trans-131.3132.7-162.9-47.60000110.9
613R27Very low26.9Very low236 Ų236151.4 Ų151.489%0.89182%0.819SS**  trans-175152.9135.7-101.2152.8-170.1-152.71.3114.3
614H26.1Very low27.1Very low176 Ų176153.3 Ų153.382%0.81582%0.82SS**  trans-50.9154.9-177.4-51.2-97.5000116.8
615M27.4Very low27.1Very low194 Ų194144.7 Ų144.796%0.95681%0.812SS**  -149.7163.1120.4-107.6-55.417800112
616G26.7Very low27.4Very low60 Ų60151 Ų15162%0.61982%0.82SS**  trans-92.7-177.3-166.500000117
617P30.6Very low27.2Very low135 Ų135148.1 Ų148.188%0.87781%0.814SS**  trans-89.1174.5-173.936.8-37.3000115.2
618S29.5Very low27.4Very low122 Ų122154.2 Ų154.285%0.85382%0.819SS**  trans-58.9155.1-166.7-41.10000118.9
619R26.8Very low28.3Very low223 Ų223152 Ų15284%0.84281%0.813SS**  trans-138.2127.2158.1-90.4-174.4170.3-170.3-2.9107.7
620N24.6Very low28.3Very low135 Ų135148.4 Ų148.472%0.72281%0.805SS**  64.6139.292.4-68-11.5000114.1
621L25.3Very low28.4Very low138 Ų138154.4 Ų154.472%0.72381%0.812SS**  cis-171.4179.9-9.8-119.1168.9000108.6
622L27.4Very low28.5Very low152 Ų152150.5 Ų150.580%0.79680%0.802SS**  trans71.9140172-43.4-179.2000115.3
623L25Very low28.5Very low162 Ų162156.2 Ų156.285%0.84881%0.809SS**  cis100.198.810-15778.9000117
624N31.3Very low28.7Very low148 Ų148152 Ų15279%0.79180%0.804SS**  trans71.395.9156-164.341.7000119.6
625G27Very low28.8Very low77 Ų77152.2 Ų152.279%0.79481%0.809SS**  trans-144.3148.3159.800000110.4
626K32.1Very low28.8Very low199 Ų199154.5 Ų154.587%0.86581%0.807SS**  trans-122.1149-176.6-74.2-173.8177-177.40112.6
627S22.7Very low28.8Very low115 Ų115155.2 Ų155.280%0.80482%0.815SS**  trans-145.6148158.253.80000110.6
628Y32.4Very low28.9Very low222 Ų222152.9 Ų152.987%0.87182%0.815SS**  trans-166.9135.5175.2-106.2-74.1000109
629P44.2Very low29Very low112 Ų112152.6 Ų152.673%0.72781%0.813SS**  -139.3-168.4118.541-28.2000109.6
630T28Very low29.5Very low114 Ų114149.9 Ų149.970%0.69981%0.814SS**  cis-155.9164.7-3.2-10.90000105.1
631K28.1Very low29.9Very low193 Ų193148.5 Ų148.584%0.83981%0.813SS**  cis-134.2141.99.9-55.9174.1-174.8173.20106.3
632V29.5Very low30.3Very low122 Ų122147.6 Ų147.674%0.73982%0.815SS**  68.8105.959.3-177.40000115.1L634V632-L634 HydrophobicContact CG1-CD1 4.2Å
633R27.8Very low30.6Very low246 Ų246146.9 Ų146.993%0.92882%0.817SS**  trans-145.6142.5133.9-165.7169.7-174.2165.32.4108.7
634L29.4Very low30.9Very low148 Ų148148.9 Ų148.978%0.77582%0.818SS**  trans-93.7145.4-173.6-63.286.7000112.4V632V632-L634 HydrophobicContact CG1-CD1 4.2Å
635I30Very low31.2Very low179 Ų179153 Ų15392%0.91882%0.823SS**  trans-133.4159.6141.1-69.2-167.1000108.9
636R26.8Very low31.4Very low242 Ų242161 Ų16191%0.91383%0.829SS**  trans-99.3144.4-157.6-166.7-173.7-158.7166.13112.6
637G26.1Very low31.5Very low76 Ų76163 Ų16378%0.78483%0.831SS**  trans84.3106.5143.600000120.4
638G33.3Very low32Very low86 Ų86165.2 Ų165.289%0.88783%0.831SS**  72.769.312600000120.9
639S30.8Very low31.9Very low115 Ų115160.5 Ų160.580%0.80482%0.821SS**  trans-154.7143.5151.761.20000112
640L36.7Very low31.6Very low166 Ų166166.8 Ų166.887%0.86983%0.83SS**PPolyproline II helixtrans-71.6136.1170.6-77.5166000110.2
641P33.1Very low32Very low106 Ų106168.2 Ų168.269%0.68883%0.832SS**PPolyproline II helixtrans-66.7139178.127.9-34.2000110.7V643P641-V643 PolarHBondContact O-N 3.48Å; P641-V643 VanDerWaalsContact O-N 3.16Å
642P35.3Very low32.5Very low120 Ų120165.2 Ų165.278%0.77983%0.825SS**PPolyproline II helixtrans-67117.8-178.426.4-33.7000110.6K644P642-K644 PolarHBondContact O-N 3.3Å
643V32.6Very low32.6Very low136 Ų136163.2 Ų163.282%0.82482%0.822SS**  trans-58.9109.6172.2176.60000108.6P641 R645P641-V643 PolarHBondContact O-N 3.48Å; P641-V643 VanDerWaalsContact O-N 3.16Å; V643-R645 PolarHBondContact O-N 3.46Å
644K31.1Very low33Very low204 Ų204156.6 Ų156.689%0.88781%0.81SS**  trans-57.898.6171.1-79.2-173.5175.9-179.60108.7P642 R646P642-K644 PolarHBondContact O-N 3.3Å; K644-R646 PolarHBondContact O-N 3.03Å
645R37.4Very low33.4Very low236 Ų236157 Ų15789%0.89181%0.814SS**  trans-56.4111.3168.5-74.5-178.4173.9172.5-1.4107.5V643 R647V643-R645 PolarHBondContact O-N 3.46Å; R645-R647 PolarHBondContact O-N 2.84Å; R645-R647 VanDerWaalsContact O-N 3.17Å
646R31.8Very low33.9Very low244 Ų244154.7 Ų154.792%0.92180%0.803SS**PPolyproline II helixtrans-51.8123.7162.8-86.4-175.1167.8-170.6-4.2107.1K644K644-R646 PolarHBondContact O-N 3.03Å
647R35Very low34.7Very low241 Ų241148.9 Ų148.991%0.90979%0.794SS**PPolyproline II helixtrans-60.5142.4161-77.8-174.4171.7-172.6-1.4107.2R645 N649R645-R647 PolarHBondContact O-N 2.84Å; R645-R647 VanDerWaalsContact O-N 3.17Å; R647-N649 PolarHBondContact O-N 3.02Å
648M32Very low35.6Very low162 Ų162152.7 Ų152.780%0.79879%0.789SS**PPolyproline II helixtrans-64.2132.6177.8-161.772.691.300109.1
649N30.8Very low36.6Very low123 Ų123155.9 Ų155.966%0.65878%0.776SS**PPolyproline II helixtrans-75.1123167.9-113.514.7000107.8R647 I651 D652R647-N649 PolarHBondContact O-N 3.02Å; N649-I651 PolarHBondContact O-N 3.03Å; N649-I651 VanDerWaalsContact O-N 3.07Å; N649-D652 PolarHBondContact O-N 3.46Å
650W37.3Very low37.4Very low243 Ų243155.8 Ų155.892%0.9276%0.764SS**THydrogen-bonded Turntrans-711.7179.3-70.793.1000114.2
651I37.4Very low38.1Very low145 Ų145149.4 Ų149.474%0.74474%0.735SS**THydrogen-bonded Turntrans-74.5-28.8176.6-12067.8000112.5N649N649-I651 PolarHBondContact O-N 3.03Å; N649-I651 VanDerWaalsContact O-N 3.07Å
652D38.3Very low39.8Very low129 Ų129146.9 Ų146.969%0.6972%0.718SS**  trans-107.871.7177-70.3-56.4000110N649N649-D652 PolarHBondContact O-N 3.46Å
653A31.9Very low41Very low81 Ų81147 Ų14767%0.66971%0.708SS**PPolyproline II helixtrans-67.5127164.400000108.9
654P35.8Very low42.5Very low106 Ų106147 Ų14769%0.68870%0.699SS**PPolyproline II helixtrans-66.7145.1179.227.8-34.4000111.4V657P654-V657 HydrophobicContact CG-CG2 4.29Å
655D38.5Very low44.2Very low158 Ų158138.9 Ų138.985%0.84567%0.667SS**SBendtrans-46.2144.9176.2-72.1-54.6000112.5V657D655-V657 WeakPolarHBondContact O-CG2 3.44Å; D655-V657 PolarHBondContact O-N 2.85Å
656D40.1Very low45.8Very low130 Ų130134.7 Ų134.770%0.69565%0.651SS**  trans-28.8102.4-176.6-73.3-38.2000114.1F658D656-F658 VanDerWaalsContact C-N 3.34Å; D656-F658 HydrophobicContact CB-CD2 4.15Å; D656-F658 HydrophobicContact CB-CE2 3.55Å; D656-F658 HydrophobicContact CB-CZ 3.97Å; D656-F658 WeakPolarHBondContact O-CD2 3.4Å; D656-F658 PolarHBondContact O-N 3.21Å
657V42.8Very low47.8Very low120 Ų120129 Ų12973%0.72763%0.632SS**  trans-8080.6-172.2-169.60000110.6P654 D655 Y659P654-V657 HydrophobicContact CG-CG2 4.29Å; D655-V657 WeakPolarHBondContact O-CG2 3.44Å; D655-V657 PolarHBondContact O-N 2.85Å; V657-Y659 PolarHBondContact O-N 3.18Å
658F46Very low49.4Very low156 Ų156120.8 Ų120.868%0.68461%0.606SS**  trans-62.890178.8-69.6-79000112.7D656 M660D656-F658 VanDerWaalsContact C-N 3.34Å; D656-F658 HydrophobicContact CB-CD2 4.15Å; D656-F658 HydrophobicContact CB-CE2 3.55Å; D656-F658 HydrophobicContact CB-CZ 3.97Å; D656-F658 WeakPolarHBondContact O-CD2 3.4Å; D656-F658 PolarHBondContact O-N 3.21Å; F658-M660 PolarHBondContact O-N 2.98Å
659Y53.2Low51.1Low152 Ų152118.3 Ų118.360%0.59659%0.588SS**  trans-71.794.9176.8176-119.7000112.1V657 A661 T665 R669V657-Y659 PolarHBondContact O-N 3.18Å; Y659-A661 PolarHBondContact O-N 3.05Å; Y659-T665 WeakPolarHBondContact OH-CB 3.21Å; Y659-R669 PolarHBondContact OH-NH2 2.94Å
660M49Very low53.3Low114 Ų114121.5 Ų121.556%0.56260%0.596SS**  trans-78116.1176-173.1178.868.800111.5F658 T662F658-M660 PolarHBondContact O-N 2.98Å; M660-T662 PolarHBondContact O-N 2.79Å
661A51.9Low55Low32 Ų32115.7 Ų115.726%0.26458%0.582SS.*  trans-71.391.8178.600000112.7Y659 R666 R669Y659-A661 PolarHBondContact O-N 3.05Å; A661-R666 HydrophobicContact CB-CG 4.5Å; A661-R666 PolarHBondContact O-NE 3.05Å; A661-R666 PolarHBondContact O-NH2 3.35Å; A661-R669 VanDerWaalsContact CB-NH2 3.28Å
662T67.1Low56.7Low52 Ų52110 Ų11032%0.31955%0.553SS.*  trans-54159.6167.370.30000111.3M660 E664 T665 R666M660-T662 PolarHBondContact O-N 2.79Å; T662-E664 VanDerWaalsContact C-N 3.26Å; T662-E664 PolarHBondContact O-N 3.03Å; T662-T665 PolarHBondContact N-OG1 2.78Å; T662-T665 PolarHBondContact O-N 3.14Å; T662-T665 PolarHBondContact O-OG1 2.93Å; T662-T665 VanDerWaalsContact OG1-CG2 3.27Å; T662-T665 WeakPolarHBondContact OG1-CG2 3.47Å; T662-T665 PolarHBondContact OG1-N 3.37Å; T662-T665 VanDerWaalsContact OG1-N 3.09Å; T662-T665 PolarHBondContact OG1-OG1 2.84Å; T662-R666 PolarHBondContact O-N 2.64Å
663E62Low58.5Low122 Ų122106.1 Ų106.157%0.5754%0.536SS*.Hα-helixtrans-61.1-38.1178-158.5-172121.300111.9R666 K667E663-R666 WeakPolarHBondContact O-CB 3.43Å; E663-R666 PolarHBondContact O-N 3.27Å; E663-K667 WeakPolarHBondContact O-CG 3.42Å; E663-K667 PolarHBondContact O-N 3.24Å; E663-K667 VanDerWaalsContact OE1-CE 3.28Å; E663-K667 WeakPolarHBondContact OE1-CE 3.33Å; E663-K667 IonicContact OE1-NZ 3.4Å; E663-K667 PolarHBondContact OE1-NZ 3.21Å
664E62.7Low60.2Low137 Ų137106.2 Ų106.264%0.6453%0.532SS*.Hα-helixtrans-62.1-47.4174.4-60148.9151.500111.5T662 R666 K667 I668T662-E664 VanDerWaalsContact C-N 3.26Å; T662-E664 PolarHBondContact O-N 3.03Å; E664-R666 PolarHBondContact O-N 3.25Å; E664-K667 PolarHBondContact O-N 3.36Å; E664-K667 VanDerWaalsContact O-N 3.09Å; E664-I668 WeakPolarHBondContact O-CB 3.28Å; E664-I668 VanDerWaalsContact O-CG1 3.31Å; E664-I668 WeakPolarHBondContact O-CG1 3.38Å; E664-I668 PolarHBondContact O-N 3.13Å
665T67.1Low61.7Low34 Ų34104.7 Ų104.721%0.20952%0.524CS..Hα-helixtrans-70-15.3177.863.80000113.3Y659 T662 R669Y659-T665 WeakPolarHBondContact OH-CB 3.21Å; T662-T665 PolarHBondContact N-OG1 2.78Å; T662-T665 PolarHBondContact O-N 3.14Å; T662-T665 PolarHBondContact O-OG1 2.93Å; T662-T665 VanDerWaalsContact OG1-CG2 3.27Å; T662-T665 WeakPolarHBondContact OG1-CG2 3.47Å; T662-T665 PolarHBondContact OG1-N 3.37Å; T662-T665 VanDerWaalsContact OG1-N 3.09Å; T662-T665 PolarHBondContact OG1-OG1 2.84Å; T665-R669 WeakPolarHBondContact O-CB 3.32Å; T665-R669 PolarHBondContact O-N 2.91Å; T665-R669 PolarHBondContact O-NE 3.28Å
666R72.1Confident63.3Low148 Ų148100.7 Ų100.756%0.55850%0.5SS*.Hα-helixtrans-81.4-41.7166.8-103.9176.6-74.6163.9-5.3111.8A661 T662 E663 E664 R669 K670A661-R666 HydrophobicContact CB-CG 4.5Å; A661-R666 PolarHBondContact O-NE 3.05Å; A661-R666 PolarHBondContact O-NH2 3.35Å; T662-R666 PolarHBondContact O-N 2.64Å; E663-R666 WeakPolarHBondContact O-CB 3.43Å; E663-R666 PolarHBondContact O-N 3.27Å; E664-R666 PolarHBondContact O-N 3.25Å; R666-R669 PolarHBondContact O-N 3.16Å; R666-K670 PolarHBondContact O-N 3.42Å
667K72.8Confident64.8Low123 Ų12397.4 Ų97.454%0.53549%0.485SS..Hα-helixtrans-61.9-49.6174-75.4166.5167.9170.10111E663 E664 R669 K670E663-K667 WeakPolarHBondContact O-CG 3.42Å; E663-K667 PolarHBondContact O-N 3.24Å; E663-K667 VanDerWaalsContact OE1-CE 3.28Å; E663-K667 WeakPolarHBondContact OE1-CE 3.33Å; E663-K667 IonicContact OE1-NZ 3.4Å; E663-K667 PolarHBondContact OE1-NZ 3.21Å; E664-K667 PolarHBondContact O-N 3.36Å; E664-K667 VanDerWaalsContact O-N 3.09Å; K667-R669 VanDerWaalsContact C-N 3.34Å; K667-R669 PolarHBondContact O-N 3.25Å; K667-K670 WeakPolarHBondContact O-CB 3.48Å; K667-K670 PolarHBondContact O-N 3.2Å; K667-K670 VanDerWaalsContact O-N 3.08Å
668I69.1Low66Low70 Ų7098 Ų9836%0.35948%0.478SS..Hα-helixtrans-58-43176.5-67.3165.1000111.5E664 K670 L671 L690E664-I668 WeakPolarHBondContact O-CB 3.28Å; E664-I668 VanDerWaalsContact O-CG1 3.31Å; E664-I668 WeakPolarHBondContact O-CG1 3.38Å; E664-I668 PolarHBondContact O-N 3.13Å; I668-K670 PolarHBondContact O-N 2.92Å; I668-L671 WeakPolarHBondContact O-CB 3.37Å; I668-L671 PolarHBondContact O-N 3.27Å; I668-L690 HydrophobicContact CG2-CD1 4.46Å; I668-L690 HydrophobicContact CG2-CD2 4.47Å
669R68.4Low67.1Low110 Ų11099.2 Ų99.242%0.41548%0.477SS..Hα-helixtrans-65.3-21.3177.7-94.3-179.3-76.2-175.4-11.2114.6Y659 A661 T665 R666 K667 L671Y659-R669 PolarHBondContact OH-NH2 2.94Å; A661-R669 VanDerWaalsContact CB-NH2 3.28Å; T665-R669 WeakPolarHBondContact O-CB 3.32Å; T665-R669 PolarHBondContact O-N 2.91Å; T665-R669 PolarHBondContact O-NE 3.28Å; R666-R669 PolarHBondContact O-N 3.16Å; K667-R669 VanDerWaalsContact C-N 3.34Å; K667-R669 PolarHBondContact O-N 3.25Å; R669-L671 VanDerWaalsContact C-N 3.27Å
670K75.4Confident67.7Low189 Ų18993.2 Ų93.282%0.82246%0.46SS*.THydrogen-bonded Turntrans-78.9-9172.2-71.4-172.2172.9-165.70113.5R666 K667 I668R666-K670 PolarHBondContact O-N 3.42Å; K667-K670 WeakPolarHBondContact O-CB 3.48Å; K667-K670 PolarHBondContact O-N 3.2Å; K667-K670 VanDerWaalsContact O-N 3.08Å; I668-K670 PolarHBondContact O-N 2.92Å
671L74.4Confident68.2Low122 Ų12291.5 Ų91.564%0.63946%0.463SS*.THydrogen-bonded Turntrans-103.29.6-179.2-58.8174.5000113.1I668 R669 L690I668-L671 WeakPolarHBondContact O-CB 3.37Å; I668-L671 PolarHBondContact O-N 3.27Å; R669-L671 VanDerWaalsContact C-N 3.27Å; L671-L690 HydrophobicContact CB-CD2 4.02Å
672L73.1Confident68.6Low25 Ų25100 Ų10013%0.13149%0.489CS..SBendtrans-116.1136.3-178.7-60176.1000110.4E676 I688 L690L672-E676 HydrophobicContact CB-CB 4.46Å; L672-I688 HydrophobicContact CD1-CD1 4.17Å; L672-I688 HydrophobicContact CD1-CG2 4.04Å; L672-I688 HydrophobicContact CD2-CG2 3.54Å; L672-I688 HydrophobicContact CG-CG2 4.45Å; L672-L690 HydrophobicContact CD2-CD2 3.69Å; L672-L690 HydrophobicContact CG-CD2 4.46Å
673S76Confident68.4Low48 Ų48103.9 Ų103.934%0.33650%0.498SS..  trans-68.4166.3171.166.40000112.2S675 E676 T677S673-S675 VanDerWaalsContact C-N 3.29Å; S673-S675 PolarHBondContact O-N 3.31Å; S673-S675 PolarHBondContact OG-OG 3.02Å; S673-E676 VanDerWaalsContact CB-OE2 3.26Å; S673-E676 WeakPolarHBondContact CB-OE2 3.38Å; S673-E676 PolarHBondContact N-OE2 2.98Å; S673-E676 PolarHBondContact O-N 3.4Å; S673-E676 WeakPolarHBondContact OG-CB 3.36Å; S673-E676 VanDerWaalsContact OG-CD 3.28Å; S673-E676 VanDerWaalsContact OG-CG 3.27Å; S673-E676 WeakPolarHBondContact OG-CG 3.47Å; S673-E676 PolarHBondContact OG-N 2.97Å; S673-E676 PolarHBondContact OG-OE2 3.47Å; S673-T677 WeakPolarHBondContact O-CB 3.35Å; S673-T677 PolarHBondContact O-N 2.79Å; S673-T677 PolarHBondContact O-OG1 3.28Å
674S66.4Low67.9Low83 Ų83103.5 Ų103.558%0.5851%0.506SS*.Hα-helixtrans-60.2-38.4175.9-176.40000112.2K678S674-K678 WeakPolarHBondContact O-CB 3.3Å; S674-K678 VanDerWaalsContact O-CG 3.29Å; S674-K678 WeakPolarHBondContact O-CG 3.47Å; S674-K678 PolarHBondContact O-N 3.34Å
675S68.4Low67.5Low74 Ų74105.3 Ų105.352%0.51751%0.508SS..Hα-helixtrans-71.1-40.2178.258.10000112.2S673 K678 R679S673-S675 VanDerWaalsContact C-N 3.29Å; S673-S675 PolarHBondContact O-N 3.31Å; S673-S675 PolarHBondContact OG-OG 3.02Å; S675-K678 PolarHBondContact O-N 3.1Å; S675-R679 WeakPolarHBondContact O-CB 3.02Å; S675-R679 PolarHBondContact O-N 3.22Å
676E71Confident67.2Low74 Ų74109.5 Ų109.535%0.34652%0.523SS..Hα-helixtrans-66.5-40.1173.6-71.1164.4131.200112L672 S673 R679 A680L672-E676 HydrophobicContact CB-CB 4.46Å; S673-E676 VanDerWaalsContact CB-OE2 3.26Å; S673-E676 WeakPolarHBondContact CB-OE2 3.38Å; S673-E676 PolarHBondContact N-OE2 2.98Å; S673-E676 PolarHBondContact O-N 3.4Å; S673-E676 WeakPolarHBondContact OG-CB 3.36Å; S673-E676 VanDerWaalsContact OG-CD 3.28Å; S673-E676 VanDerWaalsContact OG-CG 3.27Å; S673-E676 WeakPolarHBondContact OG-CG 3.47Å; S673-E676 PolarHBondContact OG-N 2.97Å; S673-E676 PolarHBondContact OG-OE2 3.47Å; E676-R679 PolarHBondContact O-N 3.14Å; E676-A680 WeakPolarHBondContact O-CB 3.27Å; E676-A680 PolarHBondContact O-N 3.37Å
677T71.9Confident66.7Low60 Ų60108.6 Ų108.637%0.36854%0.537SS..Hα-helixtrans-61.3-46.9175.5-60.40000111S673 R679 A680 A681S673-T677 WeakPolarHBondContact O-CB 3.35Å; S673-T677 PolarHBondContact O-N 2.79Å; S673-T677 PolarHBondContact O-OG1 3.28Å; T677-R679 VanDerWaalsContact C-N 3.35Å; T677-R679 PolarHBondContact O-N 3.03Å; T677-A680 PolarHBondContact O-N 2.9Å; T677-A681 WeakPolarHBondContact O-CB 3.24Å; T677-A681 PolarHBondContact O-N 2.89Å
678K68.9Low66.6Low133 Ų133107 Ų10758%0.57853%0.533SS*.Hα-helixtrans-62.2-39.4173.3-71.7173.5-178-175.60111.9S674 S675 R682S674-K678 WeakPolarHBondContact O-CB 3.3Å; S674-K678 VanDerWaalsContact O-CG 3.29Å; S674-K678 WeakPolarHBondContact O-CG 3.47Å; S674-K678 PolarHBondContact O-N 3.34Å; S675-K678 PolarHBondContact O-N 3.1Å; K678-R682 WeakPolarHBondContact O-CB 3.44Å; K678-R682 VanDerWaalsContact O-CG 3.31Å; K678-R682 WeakPolarHBondContact O-CG 3.07Å; K678-R682 PolarHBondContact O-N 3.31Å; K678-R682 VanDerWaalsContact O-N 3.11Å
679R68.9Low66.2Low181 Ų181107.7 Ų107.768%0.68355%0.549SS*.Hα-helixtrans-67.6-39.8178.9-172.7179.6-68.2-167.4-2.6112.5S675 E676 T677 R683S675-R679 WeakPolarHBondContact O-CB 3.02Å; S675-R679 PolarHBondContact O-N 3.22Å; E676-R679 PolarHBondContact O-N 3.14Å; T677-R679 VanDerWaalsContact C-N 3.35Å; T677-R679 PolarHBondContact O-N 3.03Å; R679-R683 PolarHBondContact O-N 3.39Å
680A64.2Low65.8Low27 Ų27106.4 Ų106.422%0.22355%0.55CS.*Hα-helixtrans-68.7-45.5175.500000111.6E676 T677 R682 R683 I688E676-A680 WeakPolarHBondContact O-CB 3.27Å; E676-A680 PolarHBondContact O-N 3.37Å; T677-A680 PolarHBondContact O-N 2.9Å; A680-R682 VanDerWaalsContact C-N 3.26Å; A680-R682 PolarHBondContact O-N 3.24Å; A680-R683 CarbonylContact O-C 3.53Å; A680-R683 PolarHBondContact O-N 3.35Å; A680-I688 HydrophobicContact CB-CD1 3.83Å; A680-I688 HydrophobicContact CB-CG1 4.07Å
681A61.4Low64.8Low77 Ų77108.7 Ų108.764%0.63655%0.553SS**Hα-helixtrans-58.6-36.9175.700000112.6T677 R683T677-A681 WeakPolarHBondContact O-CB 3.24Å; T677-A681 PolarHBondContact O-N 2.89Å; A681-R683 VanDerWaalsContact C-N 3.33Å; A681-R683 PolarHBondContact O-N 3.35Å
682R60.4Low63.4Low212 Ų212111.7 Ų111.780%0.856%0.564SS**THydrogen-bonded Turntrans-74.5-13.9175-71.8174.5177.1-172.9-2.7114.3K678 A680K678-R682 WeakPolarHBondContact O-CB 3.44Å; K678-R682 VanDerWaalsContact O-CG 3.31Å; K678-R682 WeakPolarHBondContact O-CG 3.07Å; K678-R682 PolarHBondContact O-N 3.31Å; K678-R682 VanDerWaalsContact O-N 3.11Å; A680-R682 VanDerWaalsContact C-N 3.26Å; A680-R682 PolarHBondContact O-N 3.24Å
683R61.1Low61.8Low133 Ų133116.4 Ų116.450%0.50260%0.599SS.*  trans-143.362.8-179.6-60.5-169.5-171.9-161.17.4111.8R679 A680 A681 Y685 K686R679-R683 PolarHBondContact O-N 3.39Å; A680-R683 CarbonylContact O-C 3.53Å; A680-R683 PolarHBondContact O-N 3.35Å; A681-R683 VanDerWaalsContact C-N 3.33Å; A681-R683 PolarHBondContact O-N 3.35Å; R683-Y685 HydrophobicContact CB-CE1 4.19Å; R683-Y685 PolarHBondContact O-N 3.44Å; R683-K686 HydrophobicContact CB-CG 4.46Å; R683-K686 PolarHBondContact O-N 2.86Å
684P52.3Low60Low114 Ų114123.1 Ų123.174%0.7463%0.625SS**THydrogen-bonded Turntrans-66.4-10-170.528.1-36.9000114.8
685Y54.5Low58.6Low174 Ų174123.8 Ų123.868%0.68264%0.636SS**THydrogen-bonded Turntrans-87.4-5.2174.561.9-94000113.8R683R683-Y685 HydrophobicContact CB-CE1 4.19Å; R683-Y685 PolarHBondContact O-N 3.44Å
686K60.7Low57.1Low122 Ų122128.2 Ų128.253%0.5365%0.653SS.*SBendtrans-95.4137.1175.2-74.6-155.2169-161.50110.9R683R683-K686 HydrophobicContact CB-CG 4.46Å; R683-K686 PolarHBondContact O-N 2.86Å
687P62Low55.5Low130 Ų130130.4 Ų130.484%0.84467%0.674SS**PPolyproline II helixtrans-64.7143.817328.6-34.5000110.7
688I69.3Low53.9Low89 Ų89136 Ų13646%0.45670%0.701SS.*PPolyproline II helixtrans-90116.7178-57.6173.8000108.1L672 A680L672-I688 HydrophobicContact CD1-CD1 4.17Å; L672-I688 HydrophobicContact CD1-CG2 4.04Å; L672-I688 HydrophobicContact CD2-CG2 3.54Å; L672-I688 HydrophobicContact CG-CG2 4.45Å; A680-I688 HydrophobicContact CB-CD1 3.83Å; A680-I688 HydrophobicContact CB-CG1 4.07Å
689A61.9Low52.3Low85 Ų85140.6 Ų140.670%0.70271%0.714SS**PPolyproline II helixtrans-85116.9174.700000109.9
690L60.4Low51Low83 Ų83136.8 Ų136.844%0.43571%0.713SS.*PPolyproline II helixtrans-85.5119.5172.1-65.7171.4000109I668 L671 L672 Q692I668-L690 HydrophobicContact CG2-CD1 4.46Å; I668-L690 HydrophobicContact CG2-CD2 4.47Å; L671-L690 HydrophobicContact CB-CD2 4.02Å; L672-L690 HydrophobicContact CD2-CD2 3.69Å; L672-L690 HydrophobicContact CG-CD2 4.46Å; L690-Q692 PolarHBondContact O-N 3.23Å
691R54.2Low49.8Very low236 Ų236141.1 Ų141.189%0.89174%0.739SS**PPolyproline II helixtrans-71.3125.3167.1-80-174.2167.7-166.7-4.1109.1
692Q44.5Very low48.9Very low186 Ų186142.6 Ų142.687%0.86974%0.742SS**PPolyproline II helixtrans-66.9139163.5-70.7176.8-22.800108.8L690 Q694L690-Q692 PolarHBondContact O-N 3.23Å; Q692-Q694 PolarHBondContact O-N 3.03Å
693S39.5Very low47.9Very low124 Ų124138.5 Ų138.587%0.86774%0.743SS**  trans-70.7110.3176.652.40000110.1
694Q38.5Very low46.8Very low188 Ų188136.2 Ų136.288%0.87975%0.752SS**PPolyproline II helixtrans-66.9143.3166.7-70.4177.3-48.400109.6Q692Q692-Q694 PolarHBondContact O-N 3.03Å
695A37.9Very low46.1Very low98 Ų98136.8 Ų136.881%0.8176%0.756SS**PPolyproline II helixtrans-68.7146.1179.200000111.3
696L34.9Very low45.4Very low166 Ų166135.2 Ų135.287%0.86976%0.764SS**PPolyproline II helixtrans-77.8133.7177.5-68.5167.8000110.9
697P39.1Very low44.3Very low121 Ų121136.6 Ų136.679%0.78678%0.777SS**PPolyproline II helixtrans-64.6157.6161.1-19.733.5000111.9
698L36.8Very low43.6Very low178 Ų178138.1 Ų138.193%0.93278%0.778SS**PPolyproline II helixtrans-70.4150.8-179.8-72.4163.3000112.6
699R36.1Very low42.1Very low228 Ų228142.6 Ų142.686%0.8680%0.798SS**PPolyproline II helixtrans-90.8135.5-177.8-168.3-166.8-178.7-177.71.3110.9
700P40.9Very low41.2Very low102 Ų102143.9 Ų143.966%0.66280%0.799SS**PPolyproline II helixtrans-71.4159.7168.330.8-34.8000112
701P40.7Very low40.1Very low117 Ų117147.5 Ų147.576%0.7682%0.817SS**PPolyproline II helixtrans-71.7157.5-17830.4-36000113.2
702P41.9Very low39.4Very low108 Ų108142 Ų14270%0.70181%0.809SS**PPolyproline II helixtrans-79.6156.6176.234.2-35.4000112.8
703P38.5Very low39.1Very low126 Ų126139.9 Ų139.982%0.81880%0.803SS**PPolyproline II helixtrans-73.5165.816932.9-35.5000112.5
704A38.4Very low38.9Very low85 Ų85142.7 Ų142.770%0.70280%0.802SS**PPolyproline II helixtrans-71.7156.5-179.900000113.3
705P37.8Very low39Very low126 Ų126145 Ų14582%0.81882%0.821SS**PPolyproline II helixtrans-70.6159.5175.431.4-36.3000112.4
706V39.6Very low39Very low141 Ų141147.4 Ų147.486%0.85582%0.821SS**  trans-115.7148175.2-174.30000108.4
707N37.9Very low39.3Very low151 Ų151146.4 Ų146.481%0.80782%0.819SS**  trans-47.8146.6-162.5-62.7-3.8000117.3
708D47.3Very low39.3Very low162 Ų162147.8 Ų147.887%0.86682%0.82SS**  trans-68.4136152.9-55.4-84.7000111
709E38.3Very low39.4Very low184 Ų184146.1 Ų146.186%0.8681%0.814SS**  trans-149.4142.8153.5-117.3175-160.300109
710P42.1Very low39.6Very low112 Ų112140.9 Ų140.973%0.72781%0.811SS**  trans-87.5145.5-168.133.9-34.4000113.3V712P710-V712 PolarHBondContact O-N 2.76Å
711I37.7Very low39.5Very low158 Ų158143.5 Ų143.581%0.8182%0.821SS**  trans-75121.2169.6-61.6172000109.1I713I711-I713 HydrophobicContact CG2-CD1 4.38Å; I711-I713 HydrophobicContact CG2-CG1 3.95Å
712V38.3Very low39.5Very low122 Ų122145.4 Ų145.474%0.73983%0.825SS**  trans-110.5142.8163.5-179.50000107.7P710P710-V712 PolarHBondContact O-N 2.76Å
713I40Very low39.3Very low141 Ų141148.3 Ų148.372%0.72384%0.835SS**  trans-128.7125.4177.3-54.4175000107.6I711I711-I713 HydrophobicContact CG2-CD1 4.38Å; I711-I713 HydrophobicContact CG2-CG1 3.95Å
714E35.5Very low39.3Very low182 Ų182150.2 Ų150.285%0.8584%0.836SS**  trans-132.7123.6158.7-66.7-169.5147.400107
715D39.3Very low39.4Very low238 Ų238156.1 Ų156.1100%1.27385%0.848SS**  trans25.70178-62.4-5.3000120.3

Retrieved 715 of 715 residues in 1256.6 ms (Link to these results)

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