A0A5K4F2Q5_SCHMA Loading...

Nop domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2Q5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 432 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
1M89.3Confident91.4Very high21 Ų2111.3 Ų11.310%0.1036%0.06CC..  0140.90175.5172.675.100110.6V16 E19 D87 V88 A90 L117M1-V16 HydrophobicContact CB-CB 4.33Å; M1-V16 HydrophobicContact CE-CB 4.23Å; M1-V16 HydrophobicContact CE-CG1 4.25Å; M1-V16 HydrophobicContact CE-CG2 3.77Å; M1-V16 PolarHBondContact O-N 3.04Å; M1-E19 WeakPolarHBondContact CA-OE1 3.42Å; M1-E19 HydrophobicContact CB-CG 4.25Å; M1-E19 WeakPolarHBondContact CB-OE1 3.17Å; M1-E19 PolarHBondContact N-OE1 3.02Å; M1-D87 PolarHBondContact N-OD1 3.13Å; M1-V88 WeakPolarHBondContact CA-O 3.3Å; M1-V88 WeakPolarHBondContact CG-O 3.4Å; M1-A90 HydrophobicContact CG-CB 4.25Å; M1-A90 HydrophobicContact SD-CB 4.01Å; M1-L117 HydrophobicContact CE-CD2 3.95Å
2L92.5Very high91.5Very high0 Ų010.3 Ų10.30%06%0.055CC..EExtended strand (participates in β ladder)trans-107.1149.1170.8-65.5179.9000110.5V13 F14 K15 Y80 D87 V88 L89 A90L2-V13 HydrophobicContact CB-CG1 4.14Å; L2-V13 HydrophobicContact CD1-CG1 4.32Å; L2-V13 HydrophobicContact CD2-CG1 4.29Å; L2-V13 HydrophobicContact CG-CG1 4.48Å; L2-F14 CarbonylContact C-O 3.57Å; L2-F14 WeakPolarHBondContact CA-O 3.48Å; L2-K15 HydrophobicContact CD2-CB 4Å; L2-K15 HydrophobicContact CD2-CG 4.2Å; L2-Y80 HydrophobicContact CD1-CE2 4.31Å; L2-D87 HydrophobicContact CD1-CB 4.11Å; L2-D87 HydrophobicContact CG-CB 3.75Å; L2-V88 PolarHBondContact N-O 3.41Å; L2-L89 HydrophobicContact CB-CD1 4.01Å; L2-L89 CarbonylContact O-C 3.56Å; L2-L89 WeakPolarHBondContact O-CA 3.3Å; L2-A90 WeakPolarHBondContact O-CB 3.27Å; L2-A90 PolarHBondContact O-N 3.22Å
3V92.9Very high91.6Very high0 Ų09.5 Ų9.50%05%0.051CC..EExtended strand (participates in β ladder)trans-123.8117.3-178.6-171.40000108.9V13 F14 V16 A90 L117 M118 I121V3-V13 VanDerWaalsContact O-CA 3.32Å; V3-V13 WeakPolarHBondContact O-CA 3.48Å; V3-F14 HydrophobicContact CB-CB 4.27Å; V3-F14 PolarHBondContact N-O 3.37Å; V3-F14 PolarHBondContact O-N 3.34Å; V3-V16 HydrophobicContact CG2-CG2 3.52Å; V3-A90 HydrophobicContact CB-CB 4.4Å; V3-A90 HydrophobicContact CG1-CB 4.3Å; V3-A90 HydrophobicContact CG2-CB 4.14Å; V3-L117 HydrophobicContact CB-CD2 4.41Å; V3-L117 HydrophobicContact CG1-CD2 4.2Å; V3-L117 HydrophobicContact CG2-CD2 3.34Å; V3-L117 HydrophobicContact CG2-CG 4.3Å; V3-M118 HydrophobicContact CG1-CE 3.71Å; V3-M118 HydrophobicContact CG1-SD 4.25Å; V3-I121 HydrophobicContact CB-CD1 4.43Å; V3-I121 HydrophobicContact CG1-CD1 3.83Å
4L93.5Very high91.8Very high3 Ų38.9 Ų8.92%0.0165%0.047CC..EExtended strand (participates in β ladder)trans-84.4113.3173.7176.165.5000109.4Y11 V13 L72 L89 A90 I100 M118L4-Y11 HydrophobicContact CD1-CD1 4.25Å; L4-V13 HydrophobicContact CD1-CG2 4.18Å; L4-L72 HydrophobicContact CD1-CD1 3.67Å; L4-L72 HydrophobicContact CD2-CD1 3.76Å; L4-L72 HydrophobicContact CD2-CD2 3.87Å; L4-L72 HydrophobicContact CD2-CG 4.42Å; L4-L72 HydrophobicContact CG-CD1 4.38Å; L4-L89 HydrophobicContact CB-CD1 4.15Å; L4-A90 PolarHBondContact N-O 3.32Å; L4-I100 HydrophobicContact CD2-CD1 4.45Å; L4-M118 VanDerWaalsContact O-CE 3.28Å; L4-M118 WeakPolarHBondContact O-CE 3.44Å
5F93.4Very high91.7Very high10 Ų1012.6 Ų12.64%0.0446%0.063CC..EExtended strand (participates in β ladder)trans-111.8132174.9-165.7-100.5000111T7 A12 F14 M118 I121 R122 I125F5-T7 HydrophobicContact CD1-CG2 3.52Å; F5-T7 HydrophobicContact CE1-CG2 3.63Å; F5-A12 HydrophobicContact CB-CB 4.36Å; F5-A12 PolarHBondContact N-O 2.91Å; F5-A12 PolarHBondContact O-N 2.95Å; F5-F14 HydrophobicContact CB-CD2 3.99Å; F5-F14 HydrophobicContact CB-CE2 3.71Å; F5-F14 HydrophobicContact CD1-CE2 4.49Å; F5-F14 HydrophobicContact CG-CE2 4.26Å; F5-M118 HydrophobicContact CD2-SD 3.66Å; F5-M118 HydrophobicContact CE2-SD 4.28Å; F5-I121 HydrophobicContact CB-CG2 4.23Å; F5-I121 HydrophobicContact CD1-CG2 3.82Å; F5-I121 HydrophobicContact CD2-CB 4.06Å; F5-I121 HydrophobicContact CD2-CG2 3.53Å; F5-I121 HydrophobicContact CE1-CG2 4Å; F5-I121 HydrophobicContact CE2-CB 4.08Å; F5-I121 HydrophobicContact CE2-CG2 3.73Å; F5-I121 HydrophobicContact CG-CG2 3.59Å; F5-I121 HydrophobicContact CZ-CG2 3.97Å; F5-R122 HydrophobicContact CE2-CB 4.17Å; F5-R122 HydrophobicContact CZ-CB 3.84Å; F5-R122 HydrophobicContact CZ-CG 4.28Å; F5-I125 HydrophobicContact CD1-CD1 3.82Å; F5-I125 HydrophobicContact CE1-CD1 3.61Å; F5-I125 HydrophobicContact CE1-CG1 4.19Å
6E90.8Very high91.7Very high57 Ų5712.2 Ų12.227%0.2666%0.061SC..EExtended strand (participates in β ladder)trans-106.3125.4-173.9-61172.2162.600109.5Y11 I63 L96E6-Y11 HydrophobicContact CG-CD1 4.01Å; E6-Y11 HydrophobicContact CG-CE1 4.02Å; E6-I63 HydrophobicContact CB-CD1 4.24Å; E6-I63 HydrophobicContact CG-CD1 3.98Å; E6-I63 WeakPolarHBondContact OE1-CD1 3.41Å; E6-I63 WeakPolarHBondContact OE1-CG1 3.33Å; E6-I63 WeakPolarHBondContact OE2-CD1 3.5Å; E6-I63 WeakPolarHBondContact OE2-CG2 3.15Å; E6-L96 WeakPolarHBondContact OE1-CD2 3.3Å
7T90.1Very high91.4Very high18 Ų1816.6 Ų16.611%0.118%0.082CC..  trans-126.2163.2-179.770.70000110.6F5 A9 G10 F50 I125F5-T7 HydrophobicContact CD1-CG2 3.52Å; F5-T7 HydrophobicContact CE1-CG2 3.63Å; T7-A9 PolarHBondContact O-N 3.14Å; T7-A9 PolarHBondContact OG1-N 2.89Å; T7-G10 PolarHBondContact N-O 3.09Å; T7-G10 PolarHBondContact O-N 3.38Å; T7-G10 PolarHBondContact OG1-N 3.2Å; T7-G10 PolarHBondContact OG1-O 2.76Å; T7-F50 WeakPolarHBondContact O-CE2 3.45Å; T7-I125 HydrophobicContact CG2-CD1 4.3Å
8A88.1Confident90.9Very high14 Ų1419.3 Ų19.312%0.11610%0.097CC..SBendtrans-63.1-23.2172.900000113M140 R141 L144A8-M140 HydrophobicContact CB-CB 4.26Å; A8-R141 HydrophobicContact CB-CB 4.25Å; A8-R141 HydrophobicContact CB-CG 3.67Å; A8-L144 HydrophobicContact CB-CB 4.4Å; A8-L144 HydrophobicContact CB-CD2 3.82Å
9A89.5Confident90.3Very high1 Ų122.5 Ų22.51%0.00811%0.111CC..SBendtrans-87.4-24.3178.900000113.3T7 F47 Q49 F50 V132 M137 M140T7-A9 PolarHBondContact O-N 3.14Å; T7-A9 PolarHBondContact OG1-N 2.89Å; A9-F47 HydrophobicContact CB-CZ 3.96Å; A9-Q49 CarbonylContact O-C 3.55Å; A9-Q49 WeakPolarHBondContact O-CA 3.14Å; A9-Q49 VanDerWaalsContact O-CG 3.31Å; A9-Q49 WeakPolarHBondContact O-CG 3.42Å; A9-F50 VanDerWaalsContact C-CD2 3.44Å; A9-F50 PolarHBondContact O-N 3.33Å; A9-V132 HydrophobicContact CB-CG1 4.41Å; A9-V132 HydrophobicContact CB-CG2 4.09Å; A9-M137 HydrophobicContact CB-CE 3.68Å; A9-M137 HydrophobicContact CB-SD 3.82Å; A9-M140 HydrophobicContact CB-SD 3.8Å
10G92Very high89.9Confident0 Ų029.5 Ų29.50%014%0.141CC..EExtended strand (participates in β ladder)trans165-174.7-173.100000114.8T7 V48 F50T7-G10 PolarHBondContact N-O 3.09Å; T7-G10 PolarHBondContact O-N 3.38Å; T7-G10 PolarHBondContact OG1-N 3.2Å; T7-G10 PolarHBondContact OG1-O 2.76Å; G10-V48 CarbonylContact C-O 3.54Å; G10-V48 WeakPolarHBondContact CA-O 3.4Å; G10-F50 VanDerWaalsContact CA-CD2 3.49Å; G10-F50 VanDerWaalsContact N-CD2 3.32Å
11Y93.3Very high89.3Confident0 Ų028.6 Ų28.60%014%0.14CC..EExtended strand (participates in β ladder)trans-93.7122.6171.7-63.5-68.4000110.1L4 E6 F47 V48 F50 A59 I63 S69 K71 L72 L75L4-Y11 HydrophobicContact CD1-CD1 4.25Å; E6-Y11 HydrophobicContact CG-CD1 4.01Å; E6-Y11 HydrophobicContact CG-CE1 4.02Å; Y11-F47 WeakPolarHBondContact O-CA 3.38Å; Y11-F47 WeakPolarHBondContact O-CD2 3.48Å; Y11-V48 PolarHBondContact N-O 3.35Å; Y11-V48 PolarHBondContact O-N 2.96Å; Y11-F50 AromaticContact CD2-CE1 3.84Å; Y11-F50 HydrophobicContact CD2-CE1 3.84Å; Y11-F50 AromaticContact CD2-CZ 3.98Å; Y11-F50 HydrophobicContact CD2-CZ 3.98Å; Y11-F50 HydrophobicContact CE1-CZ 4.42Å; Y11-F50 AromaticContact CE2-CE1 3.54Å; Y11-F50 HydrophobicContact CE2-CE1 3.54Å; Y11-F50 AromaticContact CE2-CZ 3.72Å; Y11-F50 HydrophobicContact CE2-CZ 3.72Å; Y11-F50 HydrophobicContact CG-CZ 4.42Å; Y11-F50 AromaticContact CZ-CZ 3.96Å; Y11-A59 HydrophobicContact CE2-CB 4.36Å; Y11-A59 VanDerWaalsContact OH-CB 3.32Å; Y11-A59 WeakPolarHBondContact OH-CB 3.4Å; Y11-I63 HydrophobicContact CE1-CD1 3.88Å; Y11-S69 PolarHBondContact OH-OG 2.85Å; Y11-K71 HydrophobicContact CE2-CB 4.37Å; Y11-L72 HydrophobicContact CD1-CD1 4.08Å; Y11-L72 HydrophobicContact CD2-CB 4.46Å; Y11-L72 HydrophobicContact CD2-CD1 4.48Å; Y11-L72 HydrophobicContact CE1-CB 4.34Å; Y11-L72 HydrophobicContact CE1-CD1 4.23Å; Y11-L72 HydrophobicContact CE1-CD2 4.26Å; Y11-L72 HydrophobicContact CE2-CB 3.92Å; Y11-L72 HydrophobicContact CG-CD1 4.21Å; Y11-L75 HydrophobicContact CG-CD2 4.39Å
12A92.9Very high89Confident0 Ų027.7 Ų27.70%014%0.135CC..EExtended strand (participates in β ladder)trans-104.1138.6171.200000109.5F5 F14 L44 R46 F47 L129F5-A12 HydrophobicContact CB-CB 4.36Å; F5-A12 PolarHBondContact N-O 2.91Å; F5-A12 PolarHBondContact O-N 2.95Å; A12-F14 HydrophobicContact CB-CD2 4.4Å; A12-F14 HydrophobicContact CB-CE2 3.65Å; A12-F14 HydrophobicContact CB-CZ 3.98Å; A12-L44 HydrophobicContact CB-CD1 4.11Å; A12-R46 CarbonylContact C-O 3.51Å; A12-F47 HydrophobicContact CB-CD2 3.95Å; A12-L129 HydrophobicContact CB-CD1 4.19Å
13V93.1Very high88.5Confident0 Ų035.9 Ų35.90%017%0.166CC..EExtended strand (participates in β ladder)trans-119.9119.2172.2-179.30000107.5L2 V3 L4 E45 R46 L75 L79L2-V13 HydrophobicContact CB-CG1 4.14Å; L2-V13 HydrophobicContact CD1-CG1 4.32Å; L2-V13 HydrophobicContact CD2-CG1 4.29Å; L2-V13 HydrophobicContact CG-CG1 4.48Å; V3-V13 VanDerWaalsContact O-CA 3.32Å; V3-V13 WeakPolarHBondContact O-CA 3.48Å; L4-V13 HydrophobicContact CD1-CG2 4.18Å; V13-E45 WeakPolarHBondContact O-CB 3.28Å; V13-E45 PolarHBondContact O-N 3.07Å; V13-R46 HydrophobicContact CB-CB 4.37Å; V13-R46 PolarHBondContact N-O 3.46Å; V13-R46 PolarHBondContact O-N 2.79Å; V13-R46 VanDerWaalsContact O-N 3.15Å; V13-L75 HydrophobicContact CG2-CD2 3.96Å; V13-L75 HydrophobicContact CG2-CG 4.44Å; V13-L79 HydrophobicContact CB-CD1 4.33Å; V13-L79 HydrophobicContact CG1-CD1 4.07Å; V13-L79 HydrophobicContact CG2-CD1 3.96Å
14F93.3Very high88.1Confident0 Ų043.5 Ų43.50%020%0.202CC..EExtended strand (participates in β ladder)trans-101.6140.5176.7-62.2-82.7000109.8L2 V3 F5 A12 Q43 L44 I121 I125 L128L2-F14 CarbonylContact C-O 3.57Å; L2-F14 WeakPolarHBondContact CA-O 3.48Å; V3-F14 HydrophobicContact CB-CB 4.27Å; V3-F14 PolarHBondContact N-O 3.37Å; V3-F14 PolarHBondContact O-N 3.34Å; F5-F14 HydrophobicContact CB-CD2 3.99Å; F5-F14 HydrophobicContact CB-CE2 3.71Å; F5-F14 HydrophobicContact CD1-CE2 4.49Å; F5-F14 HydrophobicContact CG-CE2 4.26Å; A12-F14 HydrophobicContact CB-CD2 4.4Å; A12-F14 HydrophobicContact CB-CE2 3.65Å; A12-F14 HydrophobicContact CB-CZ 3.98Å; F14-Q43 CarbonylContact C-O 3.54Å; F14-Q43 VanDerWaalsContact CA-O 3.28Å; F14-Q43 WeakPolarHBondContact CA-O 3.35Å; F14-L44 HydrophobicContact CD1-CB 4.08Å; F14-L44 HydrophobicContact CD1-CD1 4.1Å; F14-L44 HydrophobicContact CE1-CB 3.84Å; F14-L44 HydrophobicContact CE1-CD1 3.62Å; F14-L44 HydrophobicContact CE1-CG 4.33Å; F14-L44 HydrophobicContact CZ-CD1 3.95Å; F14-I121 HydrophobicContact CD2-CD1 3.92Å; F14-I121 HydrophobicContact CD2-CG2 4.17Å; F14-I121 HydrophobicContact CE2-CD1 4.42Å; F14-I121 HydrophobicContact CE2-CG2 3.58Å; F14-I121 HydrophobicContact CG-CD1 4.37Å; F14-I121 HydrophobicContact CZ-CG2 4.04Å; F14-I125 HydrophobicContact CZ-CD1 4.38Å; F14-L128 HydrophobicContact CE1-CB 3.81Å; F14-L128 HydrophobicContact CE1-CD1 4.4Å; F14-L128 HydrophobicContact CE1-CD2 4.2Å; F14-L128 HydrophobicContact CE1-CG 4.37Å; F14-L128 HydrophobicContact CZ-CB 4.04Å
15K91.6Very high87.5Confident65 Ų6545.7 Ų45.728%0.28321%0.213SC..EExtended strand (participates in β ladder)trans-94.3130.7169-176.6171.4176.9178.50108.9L2 I42 Q43 E45L2-K15 HydrophobicContact CD2-CB 4Å; L2-K15 HydrophobicContact CD2-CG 4.2Å; K15-I42 WeakPolarHBondContact O-CA 3.26Å; K15-Q43 PolarHBondContact N-O 3.5Å; K15-Q43 PolarHBondContact O-N 3.44Å; K15-E45 HydrophobicContact CB-CB 4.38Å
16V90.5Very high86.9Confident6 Ų652.4 Ų52.44%0.03625%0.249CC..EExtended strand (participates in β ladder)trans-92.6119.2173.41740000108M1 V3 E19 I22 I42 L117M1-V16 HydrophobicContact CB-CB 4.33Å; M1-V16 HydrophobicContact CE-CB 4.23Å; M1-V16 HydrophobicContact CE-CG1 4.25Å; M1-V16 HydrophobicContact CE-CG2 3.77Å; M1-V16 PolarHBondContact O-N 3.04Å; V3-V16 HydrophobicContact CG2-CG2 3.52Å; V16-E19 HydrophobicContact CG1-CG 3.79Å; V16-I22 HydrophobicContact CB-CD1 4.42Å; V16-I22 HydrophobicContact CG1-CD1 3.34Å; V16-I22 HydrophobicContact CG2-CD1 4.31Å; V16-I42 HydrophobicContact CG2-CG2 4.08Å; V16-L117 HydrophobicContact CG2-CD2 3.95Å
17H87.3Confident86.6Confident88 Ų8852 Ų5241%0.40725%0.249SC..SBendtrans-89.4-37.4-178.9-67.6-55000112.1L41 Q43H17-L41 PolarHBondContact N-O 3.37Å; H17-Q43 WeakPolarHBondContact NE2-CB 3.43Å; H17-Q43 PolarHBondContact NE2-OE1 2.86Å
18D82.1Confident86.4Confident65 Ų6551.1 Ų51.135%0.34824%0.243SC..  trans-121.994.7177.5-176.813.1000112.3K20 G21 I22 L41D18-K20 VanDerWaalsContact C-N 3.3Å; D18-K20 PolarHBondContact O-N 2.76Å; D18-K20 PolarHBondContact OD1-N 2.97Å; D18-G21 VanDerWaalsContact CG-N 3.31Å; D18-G21 PolarHBondContact OD1-N 2.91Å; D18-G21 WeakPolarHBondContact OD2-CA 3.47Å; D18-G21 PolarHBondContact OD2-N 3.25Å; D18-I22 WeakPolarHBondContact O-CD1 3.49Å; D18-I22 WeakPolarHBondContact O-CG1 3.48Å; D18-I22 PolarHBondContact O-N 2.62Å; D18-L41 HydrophobicContact CB-CD2 3.93Å
19E79.6Confident86.1Confident79 Ų7951 Ų5137%0.36924%0.243SC..Hα-helixtrans-71.7-22.1175.8-65.8-177.1-166.600113.3M1 V16 R23M1-E19 WeakPolarHBondContact CA-OE1 3.42Å; M1-E19 HydrophobicContact CB-CG 4.25Å; M1-E19 WeakPolarHBondContact CB-OE1 3.17Å; M1-E19 PolarHBondContact N-OE1 3.02Å; V16-E19 HydrophobicContact CG1-CG 3.79Å; E19-R23 WeakPolarHBondContact O-CG 3.45Å
20K81.8Confident86Confident162 Ų16257.3 Ų57.370%0.70427%0.27SS*.Hα-helixtrans-79.2-50.5-179.1-69.2-178.8179.61780110.3D18 I22 R23 E24D18-K20 VanDerWaalsContact C-N 3.3Å; D18-K20 PolarHBondContact O-N 2.76Å; D18-K20 PolarHBondContact OD1-N 2.97Å; K20-I22 VanDerWaalsContact C-N 3.25Å; K20-I22 PolarHBondContact O-N 3.3Å; K20-R23 PolarHBondContact O-N 3.11Å; K20-E24 PolarHBondContact O-N 3.09Å
21G78.3Confident85.6Confident12 Ų1258.6 Ų58.612%0.12428%0.281CS..Hα-helixtrans-57.7-38.3176.700000112.5D18 R23 E24 I25D18-G21 VanDerWaalsContact CG-N 3.31Å; D18-G21 PolarHBondContact OD1-N 2.91Å; D18-G21 WeakPolarHBondContact OD2-CA 3.47Å; D18-G21 PolarHBondContact OD2-N 3.25Å; G21-R23 VanDerWaalsContact C-N 3.29Å; G21-R23 PolarHBondContact O-N 2.9Å; G21-E24 PolarHBondContact O-N 3.15Å; G21-I25 WeakPolarHBondContact O-CD1 3.39Å; G21-I25 VanDerWaalsContact O-CG1 3.3Å; G21-I25 WeakPolarHBondContact O-CG1 3.31Å; G21-I25 PolarHBondContact O-N 3.45Å
22I82Confident85.4Confident1 Ų158.6 Ų58.61%0.00528%0.281CS..Hα-helixtrans-64.8-30176.7-74.1167.1000113.2V16 D18 K20 L28 L41 I42 L113 L117V16-I22 HydrophobicContact CB-CD1 4.42Å; V16-I22 HydrophobicContact CG1-CD1 3.34Å; V16-I22 HydrophobicContact CG2-CD1 4.31Å; D18-I22 WeakPolarHBondContact O-CD1 3.49Å; D18-I22 WeakPolarHBondContact O-CG1 3.48Å; D18-I22 PolarHBondContact O-N 2.62Å; K20-I22 VanDerWaalsContact C-N 3.25Å; K20-I22 PolarHBondContact O-N 3.3Å; I22-L28 HydrophobicContact CB-CD2 4.4Å; I22-L28 HydrophobicContact CG1-CD2 4.1Å; I22-L28 HydrophobicContact CG2-CD1 3.82Å; I22-L28 HydrophobicContact CG2-CD2 4.24Å; I22-L41 HydrophobicContact CD1-CB 4.37Å; I22-L41 HydrophobicContact CG1-CB 4.35Å; I22-L41 HydrophobicContact CG1-CD1 4.47Å; I22-L41 HydrophobicContact CG1-CD2 4.21Å; I22-I42 HydrophobicContact CD1-CG2 4.21Å; I22-L113 HydrophobicContact CG2-CD1 3.9Å; I22-L113 HydrophobicContact CG2-CG 4.3Å; I22-L117 HydrophobicContact CD1-CD1 4.28Å
23R82.8Confident85.1Confident173 Ų17365.2 Ų65.265%0.65331%0.312SS*.Hα-helixtrans-77.3-26.2177.4-74176.7-175.2-167.24113.2E19 K20 G21 L113E19-R23 WeakPolarHBondContact O-CG 3.45Å; K20-R23 PolarHBondContact O-N 3.11Å; G21-R23 VanDerWaalsContact C-N 3.29Å; G21-R23 PolarHBondContact O-N 2.9Å; R23-L113 HydrophobicContact CB-CD1 4.46Å; R23-L113 HydrophobicContact CG-CD1 3.88Å; R23-L113 HydrophobicContact CG-CD2 3.76Å; R23-L113 HydrophobicContact CG-CG 4.49Å
24E83.6Confident84.8Confident159 Ų15969.3 Ų69.374%0.74333%0.333SS*.Hα-helixtrans-81.5-22.4179.6-67.5176.7-176.300112.3K20 G21 D26K20-E24 PolarHBondContact O-N 3.09Å; G21-E24 PolarHBondContact O-N 3.15Å; E24-D26 PolarHBondContact O-N 3.34Å
25I82.2Confident84.2Confident49 Ų4972.4 Ų72.425%0.25135%0.353SS..  trans-87.6111.9-178.9-62.6164.3000110.4G21 D27 L28 A31 L41 N116G21-I25 WeakPolarHBondContact O-CD1 3.39Å; G21-I25 VanDerWaalsContact O-CG1 3.3Å; G21-I25 WeakPolarHBondContact O-CG1 3.31Å; G21-I25 PolarHBondContact O-N 3.45Å; I25-D27 PolarHBondContact O-N 3.35Å; I25-L28 HydrophobicContact CB-CD2 3.96Å; I25-L28 HydrophobicContact CB-CG 4.48Å; I25-L28 HydrophobicContact CD1-CD2 4.13Å; I25-L28 HydrophobicContact CG2-CD2 3.91Å; I25-L28 HydrophobicContact CG2-CG 4.17Å; I25-A31 HydrophobicContact CD1-CB 4.08Å; I25-A31 HydrophobicContact CG2-CB 3.79Å; I25-L41 HydrophobicContact CD1-CD1 3.85Å; I25-N116 PolarHBondContact O-ND2 3.28Å
26D80.8Confident83.9Confident152 Ų15271.7 Ų71.781%0.81336%0.359SS*.SBendtrans-64.4-38.7175.7-73.5-28.2000112.8E24 N116E24-D26 PolarHBondContact O-N 3.34Å; D26-N116 PolarHBondContact O-ND2 3.41Å
27D83.9Confident83.6Confident47 Ų4773.5 Ų73.525%0.25137%0.37SS..  trans-126.689-179.3-164.93000112.8I25 A29 K30 A31 R119I25-D27 PolarHBondContact O-N 3.35Å; D27-A29 PolarHBondContact O-N 2.87Å; D27-A29 WeakPolarHBondContact OD1-CB 3.16Å; D27-A29 PolarHBondContact OD1-N 3.21Å; D27-K30 HydrophobicContact CB-CD 4.31Å; D27-K30 HydrophobicContact CB-CG 4.47Å; D27-K30 PolarHBondContact O-N 2.86Å; D27-K30 WeakPolarHBondContact OD2-CD 3.07Å; D27-K30 VanDerWaalsContact OD2-CE 3.26Å; D27-K30 WeakPolarHBondContact OD2-CE 3.35Å; D27-K30 WeakPolarHBondContact OD2-CG 3.31Å; D27-K30 IonicContact OD2-NZ 2.83Å; D27-A31 PolarHBondContact O-N 3Å; D27-R119 IonicContact OD1-CZ 2.7Å; D27-R119 IonicContact OD1-NE 3.34Å; D27-R119 IonicContact OD1-NH2 3.46Å; D27-R119 PolarHBondContact OD1-NH2 2.62Å
28L84.9Confident83.5Confident0 Ų069.4 Ų69.40%035%0.351CS..Hα-helixtrans-62.6-26.5178.1-70.4163.2000112.6I22 I25 K30 A31 F32 N116 L117I22-L28 HydrophobicContact CB-CD2 4.4Å; I22-L28 HydrophobicContact CG1-CD2 4.1Å; I22-L28 HydrophobicContact CG2-CD1 3.82Å; I22-L28 HydrophobicContact CG2-CD2 4.24Å; I25-L28 HydrophobicContact CB-CD2 3.96Å; I25-L28 HydrophobicContact CB-CG 4.48Å; I25-L28 HydrophobicContact CD1-CD2 4.13Å; I25-L28 HydrophobicContact CG2-CD2 3.91Å; I25-L28 HydrophobicContact CG2-CG 4.17Å; L28-K30 VanDerWaalsContact C-N 3.29Å; L28-K30 PolarHBondContact O-N 3.17Å; L28-A31 PolarHBondContact O-N 3.46Å; L28-F32 HydrophobicContact CB-CZ 4.47Å; L28-F32 HydrophobicContact CD2-CE1 4.12Å; L28-F32 HydrophobicContact CD2-CZ 4.38Å; L28-F32 WeakPolarHBondContact O-CB 3.25Å; L28-F32 WeakPolarHBondContact O-CD1 3.35Å; L28-F32 WeakPolarHBondContact O-CG 3.35Å; L28-F32 PolarHBondContact O-N 3.44Å; L28-N116 HydrophobicContact CD1-CB 4.09Å; L28-L117 HydrophobicContact CD1-CB 4.15Å; L28-L117 HydrophobicContact CD1-CD1 4.15Å
29A83.4Confident83.7Confident13 Ų1370.5 Ų70.511%0.10736%0.357CS..Hα-helixtrans-65.6-35.2178.900000111.9D27 R119 H124D27-A29 PolarHBondContact O-N 2.87Å; D27-A29 WeakPolarHBondContact OD1-CB 3.16Å; D27-A29 PolarHBondContact OD1-N 3.21Å; A29-R119 HydrophobicContact CB-CG 4.45Å; A29-H124 PolarHBondContact O-NE2 3.39Å
30K86.8Confident84Confident133 Ų13373.3 Ų73.358%0.57837%0.37SS*.Hα-helixtrans-76.2-42.4173.1-69.8177.9-175.41780111.8D27 L28 F32 E33D27-K30 HydrophobicContact CB-CD 4.31Å; D27-K30 HydrophobicContact CB-CG 4.47Å; D27-K30 PolarHBondContact O-N 2.86Å; D27-K30 WeakPolarHBondContact OD2-CD 3.07Å; D27-K30 VanDerWaalsContact OD2-CE 3.26Å; D27-K30 WeakPolarHBondContact OD2-CE 3.35Å; D27-K30 WeakPolarHBondContact OD2-CG 3.31Å; D27-K30 IonicContact OD2-NZ 2.83Å; L28-K30 VanDerWaalsContact C-N 3.29Å; L28-K30 PolarHBondContact O-N 3.17Å; K30-F32 PolarHBondContact O-N 3.37Å; K30-E33 VanDerWaalsContact O-CB 3.28Å; K30-E33 WeakPolarHBondContact O-CB 3.2Å; K30-E33 WeakPolarHBondContact O-CG 3.25Å; K30-E33 PolarHBondContact O-N 3.34Å
31A83.8Confident84.3Confident27 Ų2766.3 Ų66.322%0.22334%0.34CS..Hα-helixtrans-61.4-30.8179.900000112.8I25 D27 L28 E33 T37I25-A31 HydrophobicContact CD1-CB 4.08Å; I25-A31 HydrophobicContact CG2-CB 3.79Å; D27-A31 PolarHBondContact O-N 3Å; L28-A31 PolarHBondContact O-N 3.46Å; A31-E33 VanDerWaalsContact C-N 3.3Å; A31-T37 PolarHBondContact O-OG1 2.88Å
32F87.8Confident84.8Confident0 Ų065.7 Ų65.70%033%0.334CS..THydrogen-bonded Turntrans-80.2-3.7177-70.61.7000114.3L28 K30 D34 M38 L41 I42 L117 H124L28-F32 HydrophobicContact CB-CZ 4.47Å; L28-F32 HydrophobicContact CD2-CE1 4.12Å; L28-F32 HydrophobicContact CD2-CZ 4.38Å; L28-F32 WeakPolarHBondContact O-CB 3.25Å; L28-F32 WeakPolarHBondContact O-CD1 3.35Å; L28-F32 WeakPolarHBondContact O-CG 3.35Å; L28-F32 PolarHBondContact O-N 3.44Å; K30-F32 PolarHBondContact O-N 3.37Å; F32-D34 PolarHBondContact O-N 3.49Å; F32-M38 HydrophobicContact CB-CB 4.15Å; F32-M38 HydrophobicContact CB-CG 4.05Å; F32-M38 HydrophobicContact CB-SD 4.47Å; F32-M38 HydrophobicContact CD1-CB 4.08Å; F32-M38 HydrophobicContact CD1-CG 4.07Å; F32-M38 HydrophobicContact CD2-CG 4.09Å; F32-M38 HydrophobicContact CG-CB 4.13Å; F32-M38 HydrophobicContact CG-CG 3.81Å; F32-L41 HydrophobicContact CD1-CD1 4.41Å; F32-L41 HydrophobicContact CE1-CB 4.19Å; F32-L41 HydrophobicContact CE1-CD1 3.82Å; F32-I42 HydrophobicContact CD2-CD1 4.2Å; F32-I42 HydrophobicContact CE1-CG1 4.46Å; F32-I42 HydrophobicContact CE2-CD1 3.36Å; F32-I42 HydrophobicContact CE2-CG1 4.13Å; F32-I42 HydrophobicContact CZ-CD1 3.57Å; F32-I42 HydrophobicContact CZ-CG1 3.85Å; F32-I42 HydrophobicContact CZ-CG2 4.24Å; F32-L117 HydrophobicContact CZ-CD1 4.12Å; F32-H124 WeakPolarHBondContact CB-CD2 3.42Å
33E87Confident85.2Confident139 Ų13970.5 Ų70.565%0.6536%0.356SS*.THydrogen-bonded Turntrans-60.4-35.2169.6-69.4176.1-172.800110.9K30 A31 T35K30-E33 VanDerWaalsContact O-CB 3.28Å; K30-E33 WeakPolarHBondContact O-CB 3.2Å; K30-E33 WeakPolarHBondContact O-CG 3.25Å; K30-E33 PolarHBondContact O-N 3.34Å; A31-E33 VanDerWaalsContact C-N 3.3Å; E33-T35 PolarHBondContact O-N 3.23Å
34D86.6Confident85.6Confident85 Ų8564.5 Ų64.546%0.45534%0.337SS..SBendtrans-78.1118.9166.1179.315.2000109.9F32 A36 T37 M38F32-D34 PolarHBondContact O-N 3.49Å; D34-A36 PolarHBondContact O-N 3.38Å; D34-A36 WeakPolarHBondContact OD1-CB 3.27Å; D34-A36 PolarHBondContact OD1-N 3.28Å; D34-T37 HydrophobicContact CB-CG2 4.33Å; D34-T37 WeakPolarHBondContact CB-OG1 3.42Å; D34-T37 PolarHBondContact O-OG1 3.12Å; D34-T37 WeakPolarHBondContact OD2-CG2 3.25Å; D34-M38 WeakPolarHBondContact O-CB 3.48Å; D34-M38 PolarHBondContact O-N 2.94Å; D34-M38 VanDerWaalsContact O-N 3.07Å
35T82.2Confident85.8Confident66 Ų6660.4 Ų60.441%0.40532%0.318SS..Hα-helixtrans-68.7-26.5-179.6-54.50000111.5E33 M38 N39E33-T35 PolarHBondContact O-N 3.23Å; T35-M38 HydrophobicContact CG2-CE 4.17Å; T35-N39 WeakPolarHBondContact O-CB 3.26Å; T35-N39 VanDerWaalsContact O-CG 3.3Å; T35-N39 PolarHBondContact O-N 2.84Å; T35-N39 VanDerWaalsContact O-N 3.08Å; T35-N39 PolarHBondContact O-ND2 2.94Å; T35-N39 VanDerWaalsContact O-ND2 3.08Å
36A85.3Confident86.1Confident50 Ų5063.4 Ų63.441%0.41333%0.326SS..Hα-helixtrans-69.8-50.2177.900000111.4D34 M38 N39 Q40D34-A36 PolarHBondContact O-N 3.38Å; D34-A36 WeakPolarHBondContact OD1-CB 3.27Å; D34-A36 PolarHBondContact OD1-N 3.28Å; A36-M38 VanDerWaalsContact C-N 3.34Å; A36-M38 PolarHBondContact O-N 3.4Å; A36-N39 PolarHBondContact O-N 2.89Å; A36-Q40 WeakPolarHBondContact O-CB 3.49Å; A36-Q40 VanDerWaalsContact O-CG 3.24Å; A36-Q40 WeakPolarHBondContact O-CG 3.35Å; A36-Q40 PolarHBondContact O-N 3.1Å
37T84.1Confident86.6Confident44 Ų4457.7 Ų57.727%0.2729%0.294SS..Hα-helixtrans-61.1-42.4174.5510000111.3A31 D34 N39 Q40 L41A31-T37 PolarHBondContact O-OG1 2.88Å; D34-T37 HydrophobicContact CB-CG2 4.33Å; D34-T37 WeakPolarHBondContact CB-OG1 3.42Å; D34-T37 PolarHBondContact O-OG1 3.12Å; D34-T37 WeakPolarHBondContact OD2-CG2 3.25Å; T37-N39 PolarHBondContact O-N 3.49Å; T37-Q40 PolarHBondContact O-N 3.37Å; T37-L41 WeakPolarHBondContact O-CB 3.46Å; T37-L41 VanDerWaalsContact O-CG 3.24Å; T37-L41 WeakPolarHBondContact O-CG 3.27Å; T37-L41 PolarHBondContact O-N 2.83Å
38M84.8Confident87Confident1 Ų157 Ų571%0.00529%0.292CS..Hα-helixtrans-57.7-52177.9-174.9-167.56900111.7F32 D34 T35 A36 Q40 L41 I42 H124 N127 L128F32-M38 HydrophobicContact CB-CB 4.15Å; F32-M38 HydrophobicContact CB-CG 4.05Å; F32-M38 HydrophobicContact CB-SD 4.47Å; F32-M38 HydrophobicContact CD1-CB 4.08Å; F32-M38 HydrophobicContact CD1-CG 4.07Å; F32-M38 HydrophobicContact CD2-CG 4.09Å; F32-M38 HydrophobicContact CG-CB 4.13Å; F32-M38 HydrophobicContact CG-CG 3.81Å; D34-M38 WeakPolarHBondContact O-CB 3.48Å; D34-M38 PolarHBondContact O-N 2.94Å; D34-M38 VanDerWaalsContact O-N 3.07Å; T35-M38 HydrophobicContact CG2-CE 4.17Å; A36-M38 VanDerWaalsContact C-N 3.34Å; A36-M38 PolarHBondContact O-N 3.4Å; M38-Q40 VanDerWaalsContact C-N 3.27Å; M38-Q40 PolarHBondContact O-N 3.25Å; M38-L41 PolarHBondContact O-N 3.44Å; M38-I42 HydrophobicContact CG-CD1 4.37Å; M38-I42 HydrophobicContact CG-CG1 4.15Å; M38-I42 WeakPolarHBondContact O-CG1 3.47Å; M38-I42 PolarHBondContact O-N 3.4Å; M38-I42 VanDerWaalsContact O-O 3.07Å; M38-H124 HydrophobicContact SD-CB 4.1Å; M38-N127 HydrophobicContact CE-CB 4.03Å; M38-N127 HydrophobicContact SD-CB 4.42Å; M38-L128 HydrophobicContact CE-CD2 3.74Å; M38-L128 HydrophobicContact CE-CG 4.12Å; M38-L128 HydrophobicContact CG-CD2 4Å; M38-L128 HydrophobicContact SD-CD1 4.17Å; M38-L128 HydrophobicContact SD-CD2 3.58Å; M38-L128 VanDerWaalsContact SD-CD2 3.58Å; M38-L128 HydrophobicContact SD-CG 3.61Å
39N85.3Confident87.2Confident89 Ų8961.6 Ų61.648%0.47631%0.313SS..Hα-helixtrans-67-27.6-179.4-73.6-33.4000113.1T35 A36 T37 I42T35-N39 WeakPolarHBondContact O-CB 3.26Å; T35-N39 VanDerWaalsContact O-CG 3.3Å; T35-N39 PolarHBondContact O-N 2.84Å; T35-N39 VanDerWaalsContact O-N 3.08Å; T35-N39 PolarHBondContact O-ND2 2.94Å; T35-N39 VanDerWaalsContact O-ND2 3.08Å; A36-N39 PolarHBondContact O-N 2.89Å; T37-N39 PolarHBondContact O-N 3.49Å; N39-I42 WeakPolarHBondContact CA-O 3.39Å
40Q86.8Confident87.6Confident137 Ų13762 Ų6264%0.6431%0.312SS*.Hα-helixtrans-71.1-39.2173.1-75.2173.7300111.9A36 T37 M38A36-Q40 WeakPolarHBondContact O-CB 3.49Å; A36-Q40 VanDerWaalsContact O-CG 3.24Å; A36-Q40 WeakPolarHBondContact O-CG 3.35Å; A36-Q40 PolarHBondContact O-N 3.1Å; T37-Q40 PolarHBondContact O-N 3.37Å; M38-Q40 VanDerWaalsContact C-N 3.27Å; M38-Q40 PolarHBondContact O-N 3.25Å
41L87.4Confident87.6Confident15 Ų1563.9 Ų63.98%0.07932%0.321CS..Hα-helixtrans-81.5-42.6-176.6-67.1175.9000112.4H17 D18 I22 I25 F32 T37 M38H17-L41 PolarHBondContact N-O 3.37Å; D18-L41 HydrophobicContact CB-CD2 3.93Å; I22-L41 HydrophobicContact CD1-CB 4.37Å; I22-L41 HydrophobicContact CG1-CB 4.35Å; I22-L41 HydrophobicContact CG1-CD1 4.47Å; I22-L41 HydrophobicContact CG1-CD2 4.21Å; I25-L41 HydrophobicContact CD1-CD1 3.85Å; F32-L41 HydrophobicContact CD1-CD1 4.41Å; F32-L41 HydrophobicContact CE1-CB 4.19Å; F32-L41 HydrophobicContact CE1-CD1 3.82Å; T37-L41 WeakPolarHBondContact O-CB 3.46Å; T37-L41 VanDerWaalsContact O-CG 3.24Å; T37-L41 WeakPolarHBondContact O-CG 3.27Å; T37-L41 PolarHBondContact O-N 2.83Å; M38-L41 PolarHBondContact O-N 3.44Å
42I90Very high87.7Confident0 Ų068.2 Ų68.20%034%0.34CS..EExtended strand (participates in β ladder)trans-137.6146.2-17660.6166.2000112.7K15 V16 I22 F32 M38 N39 L117 I121 L128K15-I42 WeakPolarHBondContact O-CA 3.26Å; V16-I42 HydrophobicContact CG2-CG2 4.08Å; I22-I42 HydrophobicContact CD1-CG2 4.21Å; F32-I42 HydrophobicContact CD2-CD1 4.2Å; F32-I42 HydrophobicContact CE1-CG1 4.46Å; F32-I42 HydrophobicContact CE2-CD1 3.36Å; F32-I42 HydrophobicContact CE2-CG1 4.13Å; F32-I42 HydrophobicContact CZ-CD1 3.57Å; F32-I42 HydrophobicContact CZ-CG1 3.85Å; F32-I42 HydrophobicContact CZ-CG2 4.24Å; M38-I42 HydrophobicContact CG-CD1 4.37Å; M38-I42 HydrophobicContact CG-CG1 4.15Å; M38-I42 WeakPolarHBondContact O-CG1 3.47Å; M38-I42 PolarHBondContact O-N 3.4Å; M38-I42 VanDerWaalsContact O-O 3.07Å; N39-I42 WeakPolarHBondContact CA-O 3.39Å; I42-L117 HydrophobicContact CG2-CD1 4.04Å; I42-I121 HydrophobicContact CD1-CG1 3.82Å; I42-L128 HydrophobicContact CD1-CD1 3.66Å; I42-L128 HydrophobicContact CD1-CD2 3.71Å; I42-L128 HydrophobicContact CD1-CG 4.35Å; I42-L128 HydrophobicContact CG1-CD2 4.05Å
43Q89.8Confident87.7Confident101 Ų10172 Ų7247%0.47236%0.363SS..EExtended strand (participates in β ladder)trans-137.2141.3175.7-172.3177.13.400111.1F14 K15 H17 E45F14-Q43 CarbonylContact C-O 3.54Å; F14-Q43 VanDerWaalsContact CA-O 3.28Å; F14-Q43 WeakPolarHBondContact CA-O 3.35Å; K15-Q43 PolarHBondContact N-O 3.5Å; K15-Q43 PolarHBondContact O-N 3.44Å; H17-Q43 WeakPolarHBondContact NE2-CB 3.43Å; H17-Q43 PolarHBondContact NE2-OE1 2.86Å; Q43-E45 PolarHBondContact O-N 2.88Å
44L90.2Very high87.8Confident48 Ų4873.7 Ų73.725%0.25137%0.368SS..EExtended strand (participates in β ladder)trans-67.3116.6171-179.368.5000109.6A12 F14 F47 L129A12-L44 HydrophobicContact CB-CD1 4.11Å; F14-L44 HydrophobicContact CD1-CB 4.08Å; F14-L44 HydrophobicContact CD1-CD1 4.1Å; F14-L44 HydrophobicContact CE1-CB 3.84Å; F14-L44 HydrophobicContact CE1-CD1 3.62Å; F14-L44 HydrophobicContact CE1-CG 4.33Å; F14-L44 HydrophobicContact CZ-CD1 3.95Å; L44-F47 HydrophobicContact CD1-CB 4.49Å; L44-L129 HydrophobicContact CD1-CD1 4Å; L44-L129 HydrophobicContact CD2-CD1 3.91Å
45E87.9Confident87.9Confident72 Ų7271.8 Ų71.834%0.33636%0.358SS..EExtended strand (participates in β ladder)trans-93.2-48.3178.1-173.185.5165.800110.9V13 K15 Q43 R85V13-E45 WeakPolarHBondContact O-CB 3.28Å; V13-E45 PolarHBondContact O-N 3.07Å; K15-E45 HydrophobicContact CB-CB 4.38Å; Q43-E45 PolarHBondContact O-N 2.88Å; E45-R85 VanDerWaalsContact CD-NH2 3.27Å; E45-R85 VanDerWaalsContact CG-NH2 3.29Å; E45-R85 IonicContact OE1-CZ 3.01Å; E45-R85 VanDerWaalsContact OE1-CZ 3.23Å; E45-R85 IonicContact OE1-NH1 3.99Å; E45-R85 PolarHBondContact OE1-NH1 3.45Å; E45-R85 IonicContact OE1-NH2 3.49Å; E45-R85 PolarHBondContact OE1-NH2 2.96Å
46R90Very high88.3Confident112 Ų11268.8 Ų68.842%0.42334%0.34SS..EExtended strand (participates in β ladder)trans-146.8133.2-174.2-165.874.4-166.3-1666.9111A12 V13 L75A12-R46 CarbonylContact C-O 3.51Å; V13-R46 HydrophobicContact CB-CB 4.37Å; V13-R46 PolarHBondContact N-O 3.46Å; V13-R46 PolarHBondContact O-N 2.79Å; V13-R46 VanDerWaalsContact O-N 3.15Å; R46-L75 HydrophobicContact CG-CD1 3.89Å
47F91.6Very high88.6Confident33 Ų3368 Ų6815%0.14533%0.329CS..EExtended strand (participates in β ladder)trans-119.6135.4167.8-175.7-118.7000110.6A9 Y11 A12 L44 Q49 L129 V131 V132A9-F47 HydrophobicContact CB-CZ 3.96Å; Y11-F47 WeakPolarHBondContact O-CA 3.38Å; Y11-F47 WeakPolarHBondContact O-CD2 3.48Å; A12-F47 HydrophobicContact CB-CD2 3.95Å; L44-F47 HydrophobicContact CD1-CB 4.49Å; F47-Q49 HydrophobicContact CD1-CB 4.39Å; F47-Q49 HydrophobicContact CE1-CB 3.76Å; F47-Q49 HydrophobicContact CE1-CG 3.97Å; F47-Q49 HydrophobicContact CZ-CB 4.35Å; F47-Q49 HydrophobicContact CZ-CG 4.37Å; F47-L129 HydrophobicContact CB-CD1 4.19Å; F47-L129 HydrophobicContact CD1-CD1 4.4Å; F47-L129 HydrophobicContact CD2-CD1 3.51Å; F47-L129 HydrophobicContact CD2-CD2 4.25Å; F47-L129 HydrophobicContact CD2-CG 4.45Å; F47-L129 HydrophobicContact CE1-CD2 4.35Å; F47-L129 HydrophobicContact CE2-CD1 3.91Å; F47-L129 HydrophobicContact CE2-CD2 3.76Å; F47-L129 HydrophobicContact CE2-CG 4.44Å; F47-L129 HydrophobicContact CG-CD1 3.79Å; F47-L129 HydrophobicContact CZ-CD2 3.82Å; F47-V131 HydrophobicContact CD1-CG1 4.44Å; F47-V132 HydrophobicContact CE1-CG2 4Å; F47-V132 HydrophobicContact CZ-CG2 4.17Å
48V91.1Very high88.9Confident33 Ų3370 Ų7020%0.234%0.341CS..EExtended strand (participates in β ladder)trans-122.6101.4173.2178.70000108.8G10 Y11 K71 L75G10-V48 CarbonylContact C-O 3.54Å; G10-V48 WeakPolarHBondContact CA-O 3.4Å; Y11-V48 PolarHBondContact N-O 3.35Å; Y11-V48 PolarHBondContact O-N 2.96Å; V48-K71 HydrophobicContact CG1-CD 4.48Å; V48-L75 HydrophobicContact CB-CD2 4.47Å; V48-L75 HydrophobicContact CG2-CB 4.43Å; V48-L75 HydrophobicContact CG2-CD1 3.64Å; V48-L75 HydrophobicContact CG2-CD2 4.09Å; V48-L75 HydrophobicContact CG2-CG 4.27Å
49Q89.9Confident89.2Confident96 Ų9670.1 Ų70.145%0.44934%0.342SS..EExtended strand (participates in β ladder)trans-69.9144.5178.8-158.2177.66.600112A9 F47 K71A9-Q49 CarbonylContact O-C 3.55Å; A9-Q49 WeakPolarHBondContact O-CA 3.14Å; A9-Q49 VanDerWaalsContact O-CG 3.31Å; A9-Q49 WeakPolarHBondContact O-CG 3.42Å; F47-Q49 HydrophobicContact CD1-CB 4.39Å; F47-Q49 HydrophobicContact CE1-CB 3.76Å; F47-Q49 HydrophobicContact CE1-CG 3.97Å; F47-Q49 HydrophobicContact CZ-CB 4.35Å; F47-Q49 HydrophobicContact CZ-CG 4.37Å; Q49-K71 PolarHBondContact O-NZ 3.35Å
50F90.6Very high89.4Confident21 Ų2166.8 Ų66.89%0.09233%0.326CS..  trans-71.3145166.4-62-49.1000110.7T7 A9 G10 Y11 D55 A56 A59 K71T7-F50 WeakPolarHBondContact O-CE2 3.45Å; A9-F50 VanDerWaalsContact C-CD2 3.44Å; A9-F50 PolarHBondContact O-N 3.33Å; G10-F50 VanDerWaalsContact CA-CD2 3.49Å; G10-F50 VanDerWaalsContact N-CD2 3.32Å; Y11-F50 AromaticContact CD2-CE1 3.84Å; Y11-F50 HydrophobicContact CD2-CE1 3.84Å; Y11-F50 AromaticContact CD2-CZ 3.98Å; Y11-F50 HydrophobicContact CD2-CZ 3.98Å; Y11-F50 HydrophobicContact CE1-CZ 4.42Å; Y11-F50 AromaticContact CE2-CE1 3.54Å; Y11-F50 HydrophobicContact CE2-CE1 3.54Å; Y11-F50 AromaticContact CE2-CZ 3.72Å; Y11-F50 HydrophobicContact CE2-CZ 3.72Å; Y11-F50 HydrophobicContact CG-CZ 4.42Å; Y11-F50 AromaticContact CZ-CZ 3.96Å; F50-D55 HydrophobicContact CB-CB 4.42Å; F50-A56 HydrophobicContact CB-CB 4.15Å; F50-A56 HydrophobicContact CD2-CB 3.53Å; F50-A56 HydrophobicContact CE2-CB 4.15Å; F50-A56 HydrophobicContact CG-CB 3.96Å; F50-A59 HydrophobicContact CD1-CB 4.48Å; F50-A59 HydrophobicContact CE1-CB 3.58Å; F50-A59 HydrophobicContact CE2-CB 4.33Å; F50-A59 HydrophobicContact CZ-CB 3.49Å; F50-A59 VanDerWaalsContact CZ-CB 3.49Å; F50-K71 HydrophobicContact CD1-CD 3.99Å; F50-K71 HydrophobicContact CE1-CD 4.16Å
51K86.8Confident89.5Confident173 Ų17360.7 Ų60.775%0.75230%0.299SS*.SBendtrans-73.8-48.1-179.6-67.8-175.9174-169.70111.2D55K51-D55 PolarHBondContact N-OD2 3.39Å
52D87.1Confident89.7Confident117 Ų11762 Ų6263%0.62631%0.306SS*.SBendtrans-144.4167.8-175.1-57.7-56.5000110K54 D55 A56D52-K54 PolarHBondContact O-N 3.12Å; D52-K54 VanDerWaalsContact O-N 3.13Å; D52-D55 WeakPolarHBondContact O-CB 3.44Å; D52-D55 PolarHBondContact O-N 3.11Å; D52-A56 PolarHBondContact O-N 2.91Å; D52-A56 VanDerWaalsContact O-N 3.15Å
53T87.1Confident89.6Confident80 Ų8063.3 Ų63.349%0.49131%0.313SS..Hα-helixtrans-56-30.6175.5-42.20000112.9A56 L57T53-A56 PolarHBondContact O-N 3.1Å; T53-L57 WeakPolarHBondContact O-CB 3.48Å; T53-L57 PolarHBondContact O-N 3.28Å
54K88.5Confident89.4Confident174 Ų17463.5 Ų63.576%0.75732%0.315SS*.Hα-helixtrans-65.6-40.2176.3-66.3-178.5-177.7175.70112.3D52 L57 V58D52-K54 PolarHBondContact O-N 3.12Å; D52-K54 VanDerWaalsContact O-N 3.13Å; K54-L57 PolarHBondContact O-N 3.14Å; K54-V58 WeakPolarHBondContact O-CG2 3.02Å; K54-V58 PolarHBondContact O-N 3.15Å
55D89.7Confident89.2Confident46 Ų4665.8 Ų65.825%0.24633%0.325CS..Hα-helixtrans-68.1-41.5177.8-170.832.5000110.1F50 K51 D52 V58 A59 K71F50-D55 HydrophobicContact CB-CB 4.42Å; K51-D55 PolarHBondContact N-OD2 3.39Å; D52-D55 WeakPolarHBondContact O-CB 3.44Å; D52-D55 PolarHBondContact O-N 3.11Å; D55-V58 PolarHBondContact O-N 3.47Å; D55-A59 WeakPolarHBondContact O-CB 3.38Å; D55-A59 PolarHBondContact O-N 3.38Å; D55-K71 IonicContact OD2-NZ 2.76Å; D55-K71 PolarHBondContact OD2-NZ 3.33Å
56A91.3Very high89.1Confident3 Ų362.6 Ų62.63%0.02531%0.311CS..Hα-helixtrans-62.4-40.1172.700000112.5F50 D52 T53 A59 A60 L144F50-A56 HydrophobicContact CB-CB 4.15Å; F50-A56 HydrophobicContact CD2-CB 3.53Å; F50-A56 HydrophobicContact CE2-CB 4.15Å; F50-A56 HydrophobicContact CG-CB 3.96Å; D52-A56 PolarHBondContact O-N 2.91Å; D52-A56 VanDerWaalsContact O-N 3.15Å; T53-A56 PolarHBondContact O-N 3.1Å; A56-A59 PolarHBondContact O-N 3Å; A56-A60 VanDerWaalsContact O-CB 3.3Å; A56-A60 WeakPolarHBondContact O-CB 3.31Å; A56-A60 PolarHBondContact O-N 3.4Å; A56-L144 HydrophobicContact CB-CD1 4.02Å
57L90.7Very high89.1Confident33 Ų3362 Ų6217%0.17331%0.312CS..Hα-helixtrans-64.3-47.3177.7176.962.1000111.9T53 K54 A59 A60 S61 L144 L148T53-L57 WeakPolarHBondContact O-CB 3.48Å; T53-L57 PolarHBondContact O-N 3.28Å; K54-L57 PolarHBondContact O-N 3.14Å; L57-A59 VanDerWaalsContact C-N 3.33Å; L57-A59 PolarHBondContact O-N 2.92Å; L57-A60 PolarHBondContact O-N 3.35Å; L57-S61 WeakPolarHBondContact O-CB 3.42Å; L57-S61 PolarHBondContact O-N 3.39Å; L57-S61 PolarHBondContact O-OG 2.9Å; L57-S61 VanDerWaalsContact O-OG 3.11Å; L57-L144 HydrophobicContact CB-CD1 4.32Å; L57-L148 HydrophobicContact CD1-CB 4.09Å; L57-L148 HydrophobicContact CD1-CD1 3.89Å
58V90.3Very high89Confident87 Ų8761.3 Ų61.353%0.52731%0.309SS..Hα-helixtrans-60.8-45.5177.5172.80000110.4K54 D55 A60 S61 D62K54-V58 WeakPolarHBondContact O-CG2 3.02Å; K54-V58 PolarHBondContact O-N 3.15Å; D55-V58 PolarHBondContact O-N 3.47Å; V58-A60 PolarHBondContact O-N 2.9Å; V58-S61 PolarHBondContact O-N 3.15Å; V58-D62 WeakPolarHBondContact O-CB 3.27Å; V58-D62 PolarHBondContact O-N 2.9Å
59A91Very high88.9Confident3 Ų360 Ų603%0.02530%0.301CS..Hα-helixtrans-57.9-48.3175.400000112.2Y11 F50 D55 A56 L57 D62 I63Y11-A59 HydrophobicContact CE2-CB 4.36Å; Y11-A59 VanDerWaalsContact OH-CB 3.32Å; Y11-A59 WeakPolarHBondContact OH-CB 3.4Å; F50-A59 HydrophobicContact CD1-CB 4.48Å; F50-A59 HydrophobicContact CE1-CB 3.58Å; F50-A59 HydrophobicContact CE2-CB 4.33Å; F50-A59 HydrophobicContact CZ-CB 3.49Å; F50-A59 VanDerWaalsContact CZ-CB 3.49Å; D55-A59 WeakPolarHBondContact O-CB 3.38Å; D55-A59 PolarHBondContact O-N 3.38Å; A56-A59 PolarHBondContact O-N 3Å; L57-A59 VanDerWaalsContact C-N 3.33Å; L57-A59 PolarHBondContact O-N 2.92Å; A59-D62 PolarHBondContact O-N 3.43Å; A59-I63 VanDerWaalsContact O-CD1 3.29Å; A59-I63 WeakPolarHBondContact O-CD1 3.45Å; A59-I63 WeakPolarHBondContact O-CG1 3.38Å; A59-I63 PolarHBondContact O-N 2.9Å
60A90.6Very high88.9Confident18 Ų1864.1 Ų64.115%0.14932%0.318CS..Hα-helixtrans-65.3-38.2179.700000112.7A56 L57 V58 M64 L144 L148A56-A60 VanDerWaalsContact O-CB 3.3Å; A56-A60 WeakPolarHBondContact O-CB 3.31Å; A56-A60 PolarHBondContact O-N 3.4Å; L57-A60 PolarHBondContact O-N 3.35Å; V58-A60 PolarHBondContact O-N 2.9Å; A60-M64 WeakPolarHBondContact O-CB 3.49Å; A60-M64 WeakPolarHBondContact O-CG 3.28Å; A60-M64 PolarHBondContact O-N 3.28Å; A60-L144 HydrophobicContact CB-CD1 4.13Å; A60-L144 HydrophobicContact CB-CD2 4.32Å; A60-L148 HydrophobicContact CB-CD1 4.44Å
61S89Confident88.9Confident10 Ų1065.2 Ų65.27%0.0732%0.322CS..Hα-helixtrans-65.6-45.1174.9-66.50000112L57 V58 I63 M64 E65 Y151L57-S61 WeakPolarHBondContact O-CB 3.42Å; L57-S61 PolarHBondContact O-N 3.39Å; L57-S61 PolarHBondContact O-OG 2.9Å; L57-S61 VanDerWaalsContact O-OG 3.11Å; V58-S61 PolarHBondContact O-N 3.15Å; S61-I63 VanDerWaalsContact C-N 3.33Å; S61-I63 PolarHBondContact O-N 3.25Å; S61-M64 WeakPolarHBondContact O-CB 3.32Å; S61-M64 PolarHBondContact O-N 3.19Å; S61-E65 PolarHBondContact O-N 3.47Å; S61-E65 VanDerWaalsContact O-N 3.1Å; S61-Y151 WeakPolarHBondContact OG-CD1 3.32Å; S61-Y151 WeakPolarHBondContact OG-CE1 3.42Å
62D90.1Very high89.1Confident42 Ų4257 Ų5723%0.22529%0.287CS..Hα-helixtrans-59.7-45176.3-74.7-16000110.8V58 A59 M64 E65 G66 K67 S69V58-D62 WeakPolarHBondContact O-CB 3.27Å; V58-D62 PolarHBondContact O-N 2.9Å; A59-D62 PolarHBondContact O-N 3.43Å; D62-M64 PolarHBondContact O-N 3.28Å; D62-E65 CarbonylContact O-C 3.37Å; D62-E65 PolarHBondContact O-N 3.04Å; D62-G66 PolarHBondContact O-N 3.14Å; D62-G66 VanDerWaalsContact O-N 3.13Å; D62-K67 CarbonylContact C-O 3.5Å; D62-K67 HydrophobicContact CB-CB 4.49Å; D62-K67 PolarHBondContact O-N 2.93Å; D62-S69 VanDerWaalsContact OD2-CA 3.29Å; D62-S69 WeakPolarHBondContact OD2-CA 3.31Å; D62-S69 WeakPolarHBondContact OD2-CB 3.14Å
63I89.4Confident89.3Confident27 Ų2754.9 Ų54.914%0.13827%0.272CS..Hα-helixtrans-60.1-45.8175.9-69.7159.6000111.2E6 Y11 A59 S61 E65 G66E6-I63 HydrophobicContact CB-CD1 4.24Å; E6-I63 HydrophobicContact CG-CD1 3.98Å; E6-I63 WeakPolarHBondContact OE1-CD1 3.41Å; E6-I63 WeakPolarHBondContact OE1-CG1 3.33Å; E6-I63 WeakPolarHBondContact OE2-CD1 3.5Å; E6-I63 WeakPolarHBondContact OE2-CG2 3.15Å; Y11-I63 HydrophobicContact CE1-CD1 3.88Å; A59-I63 VanDerWaalsContact O-CD1 3.29Å; A59-I63 WeakPolarHBondContact O-CD1 3.45Å; A59-I63 WeakPolarHBondContact O-CG1 3.38Å; A59-I63 PolarHBondContact O-N 2.9Å; S61-I63 VanDerWaalsContact C-N 3.33Å; S61-I63 PolarHBondContact O-N 3.25Å; I63-E65 PolarHBondContact O-N 3.3Å; I63-G66 WeakPolarHBondContact O-CA 3.43Å; I63-G66 PolarHBondContact O-N 3.38Å
64M85.5Confident89.5Confident106 Ų10658.2 Ų58.252%0.52228%0.28SS..Hα-helixtrans-59.7-32.1178.3-83.9-16158.900112.9A60 S61 D62 G66 L148 K152A60-M64 WeakPolarHBondContact O-CB 3.49Å; A60-M64 WeakPolarHBondContact O-CG 3.28Å; A60-M64 PolarHBondContact O-N 3.28Å; S61-M64 WeakPolarHBondContact O-CB 3.32Å; S61-M64 PolarHBondContact O-N 3.19Å; D62-M64 PolarHBondContact O-N 3.28Å; M64-G66 VanDerWaalsContact C-N 3.28Å; M64-L148 HydrophobicContact SD-CD1 4.08Å; M64-L148 HydrophobicContact SD-CD2 3.91Å; M64-L148 HydrophobicContact SD-CG 4.3Å; M64-K152 WeakPolarHBondContact SD-CE 3.24Å; M64-K152 PolarHBondContact SD-NZ 3.01Å; M64-K152 VanDerWaalsContact SD-NZ 3.39Å
65E84.2Confident89.6Confident96 Ų9650.1 Ų50.145%0.44925%0.245SC..THydrogen-bonded Turntrans-83-3.6173.7-67.2-177.4-169.600113S61 D62 I63 K67S61-E65 PolarHBondContact O-N 3.47Å; S61-E65 VanDerWaalsContact O-N 3.1Å; D62-E65 CarbonylContact O-C 3.37Å; D62-E65 PolarHBondContact O-N 3.04Å; I63-E65 PolarHBondContact O-N 3.3Å; E65-K67 VanDerWaalsContact C-N 3.29Å; E65-K67 HydrophobicContact CB-CD 4.04Å; E65-K67 HydrophobicContact CB-CG 4.06Å; E65-K67 WeakPolarHBondContact OE2-CD 3.43Å; E65-K67 VanDerWaalsContact OE2-CE 3.24Å; E65-K67 WeakPolarHBondContact OE2-CE 3.49Å; E65-K67 IonicContact OE2-NZ 2.74Å; E65-K67 PolarHBondContact OE2-NZ 3.03Å
66G87.6Confident89.6Confident5 Ų548 Ų485%0.05223%0.233CC..THydrogen-bonded Turntrans70.722.6-175.500000113.4D62 I63 M64 L96 D99D62-G66 PolarHBondContact O-N 3.14Å; D62-G66 VanDerWaalsContact O-N 3.13Å; I63-G66 WeakPolarHBondContact O-CA 3.43Å; I63-G66 PolarHBondContact O-N 3.38Å; M64-G66 VanDerWaalsContact C-N 3.28Å; G66-L96 WeakPolarHBondContact O-CA 3.22Å; G66-D99 VanDerWaalsContact O-CB 3.28Å; G66-D99 WeakPolarHBondContact O-CB 3.28Å
67K88.9Confident89.5Confident100 Ų10052.6 Ų52.644%0.43525%0.253SS..  trans-99.5140.6-175.8-67.6177.3-178.4166.70111.7D62 E65 S69D62-K67 CarbonylContact C-O 3.5Å; D62-K67 HydrophobicContact CB-CB 4.49Å; D62-K67 PolarHBondContact O-N 2.93Å; E65-K67 VanDerWaalsContact C-N 3.29Å; E65-K67 HydrophobicContact CB-CD 4.04Å; E65-K67 HydrophobicContact CB-CG 4.06Å; E65-K67 WeakPolarHBondContact OE2-CD 3.43Å; E65-K67 VanDerWaalsContact OE2-CE 3.24Å; E65-K67 WeakPolarHBondContact OE2-CE 3.49Å; E65-K67 IonicContact OE2-NZ 2.74Å; E65-K67 PolarHBondContact OE2-NZ 3.03Å; K67-S69 PolarHBondContact O-N 3.29Å; K67-S69 VanDerWaalsContact O-N 3.15Å
68L89.5Confident89.5Confident18 Ų1855.8 Ų55.89%0.09427%0.265CS..  trans-71.1105.6174.117857.7000111.5L72 K73 L76 D99 I100 K103 M104L68-L72 HydrophobicContact CD1-CB 3.8Å; L68-L72 HydrophobicContact CD1-CD2 3.67Å; L68-L72 HydrophobicContact CD1-CG 3.53Å; L68-K73 HydrophobicContact CD1-CB 4.31Å; L68-K73 HydrophobicContact CD2-CB 4.03Å; L68-K73 HydrophobicContact CD2-CD 4.26Å; L68-K73 HydrophobicContact CD2-CG 4.04Å; L68-K73 HydrophobicContact CG-CB 4.01Å; L68-L76 HydrophobicContact CD1-CD1 4.11Å; L68-D99 VanDerWaalsContact CB-OD2 3.31Å; L68-D99 WeakPolarHBondContact CB-OD2 3.36Å; L68-D99 PolarHBondContact N-OD2 3.18Å; L68-I100 HydrophobicContact CD1-CG1 4.05Å; L68-K103 HydrophobicContact CB-CD 4.44Å; L68-K103 HydrophobicContact CD2-CB 4.43Å; L68-M104 HydrophobicContact CD2-CG 3.78Å
69S89.3Confident89.3Confident4 Ų451.8 Ų51.83%0.02824%0.241CC..  trans-63151.9176.682.10000112.4Y11 D62 K67 K71 L72 K73Y11-S69 PolarHBondContact OH-OG 2.85Å; D62-S69 VanDerWaalsContact OD2-CA 3.29Å; D62-S69 WeakPolarHBondContact OD2-CA 3.31Å; D62-S69 WeakPolarHBondContact OD2-CB 3.14Å; K67-S69 PolarHBondContact O-N 3.29Å; K67-S69 VanDerWaalsContact O-N 3.15Å; S69-K71 PolarHBondContact O-N 3.26Å; S69-L72 PolarHBondContact O-N 3.49Å; S69-L72 VanDerWaalsContact OG-CB 3.24Å; S69-L72 WeakPolarHBondContact OG-CB 3.28Å; S69-L72 PolarHBondContact OG-N 2.97Å; S69-L72 VanDerWaalsContact OG-N 3.11Å; S69-K73 WeakPolarHBondContact O-CB 3.49Å; S69-K73 PolarHBondContact O-N 2.87Å
70K89.8Confident89.1Confident183 Ų18352.7 Ų52.780%0.79624%0.244SC*.Hα-helixtrans-57.9-34.3178.3-70.3179.2-177.9172.70112.3K74K70-K74 WeakPolarHBondContact O-CG 3.45Å; K70-K74 PolarHBondContact O-N 2.83Å
71K90.2Very high88.6Confident44 Ų4456.4 Ų56.419%0.19126%0.264CS..Hα-helixtrans-75.7-42.9-179-156.9175.6-161-173.40111.3Y11 V48 Q49 F50 D55 S69 K73 K74 L75Y11-K71 HydrophobicContact CE2-CB 4.37Å; V48-K71 HydrophobicContact CG1-CD 4.48Å; Q49-K71 PolarHBondContact O-NZ 3.35Å; F50-K71 HydrophobicContact CD1-CD 3.99Å; F50-K71 HydrophobicContact CE1-CD 4.16Å; D55-K71 IonicContact OD2-NZ 2.76Å; D55-K71 PolarHBondContact OD2-NZ 3.33Å; S69-K71 PolarHBondContact O-N 3.26Å; K71-K73 VanDerWaalsContact C-N 3.35Å; K71-K74 WeakPolarHBondContact O-CB 3.44Å; K71-K74 PolarHBondContact O-N 2.97Å; K71-L75 PolarHBondContact O-N 3.1Å
72L91.3Very high88.2Confident0 Ų063.8 Ų63.80%030%0.295CS..Hα-helixtrans-63.1-41.5173.7-177.657.9000111.2L4 Y11 L68 S69 K74 L75 L76 L96 I100L4-L72 HydrophobicContact CD1-CD1 3.67Å; L4-L72 HydrophobicContact CD2-CD1 3.76Å; L4-L72 HydrophobicContact CD2-CD2 3.87Å; L4-L72 HydrophobicContact CD2-CG 4.42Å; L4-L72 HydrophobicContact CG-CD1 4.38Å; Y11-L72 HydrophobicContact CD1-CD1 4.08Å; Y11-L72 HydrophobicContact CD2-CB 4.46Å; Y11-L72 HydrophobicContact CD2-CD1 4.48Å; Y11-L72 HydrophobicContact CE1-CB 4.34Å; Y11-L72 HydrophobicContact CE1-CD1 4.23Å; Y11-L72 HydrophobicContact CE1-CD2 4.26Å; Y11-L72 HydrophobicContact CE2-CB 3.92Å; Y11-L72 HydrophobicContact CG-CD1 4.21Å; L68-L72 HydrophobicContact CD1-CB 3.8Å; L68-L72 HydrophobicContact CD1-CD2 3.67Å; L68-L72 HydrophobicContact CD1-CG 3.53Å; S69-L72 PolarHBondContact O-N 3.49Å; S69-L72 VanDerWaalsContact OG-CB 3.24Å; S69-L72 WeakPolarHBondContact OG-CB 3.28Å; S69-L72 PolarHBondContact OG-N 2.97Å; S69-L72 VanDerWaalsContact OG-N 3.11Å; L72-K74 VanDerWaalsContact C-N 3.29Å; L72-K74 PolarHBondContact O-N 2.95Å; L72-L75 HydrophobicContact CD1-CD2 4.26Å; L72-L75 WeakPolarHBondContact O-CB 3.36Å; L72-L75 PolarHBondContact O-N 3.35Å; L72-L76 HydrophobicContact CD1-CG 4.27Å; L72-L76 HydrophobicContact CG-CD1 4.29Å; L72-L76 HydrophobicContact CG-CG 4.46Å; L72-L76 WeakPolarHBondContact O-CG 3.41Å; L72-L76 PolarHBondContact O-N 3.37Å; L72-L96 HydrophobicContact CD2-CD1 4.39Å; L72-L96 HydrophobicContact CD2-CD2 4.38Å; L72-I100 HydrophobicContact CD2-CD1 4.44Å
73K91.2Very high87.8Confident74 Ų7466.5 Ų66.532%0.32231%0.306SS..Hα-helixtrans-57.1-40.7173.2-168.4169.8-171.9169.50112.5L68 S69 K71 K77 M104L68-K73 HydrophobicContact CD1-CB 4.31Å; L68-K73 HydrophobicContact CD2-CB 4.03Å; L68-K73 HydrophobicContact CD2-CD 4.26Å; L68-K73 HydrophobicContact CD2-CG 4.04Å; L68-K73 HydrophobicContact CG-CB 4.01Å; S69-K73 WeakPolarHBondContact O-CB 3.49Å; S69-K73 PolarHBondContact O-N 2.87Å; K71-K73 VanDerWaalsContact C-N 3.35Å; K73-K77 WeakPolarHBondContact O-CB 3.42Å; K73-K77 VanDerWaalsContact O-CG 3.3Å; K73-K77 WeakPolarHBondContact O-CG 3.42Å; K73-K77 PolarHBondContact O-N 3.02Å; K73-M104 HydrophobicContact CD-SD 4.37Å; K73-M104 HydrophobicContact CG-SD 3.93Å
74K91Very high87.3Confident149 Ų14971.7 Ų71.765%0.64833%0.334SS*.Hα-helixtrans-67.1-37175.8-75.5177.1-178.4-178.70112.3K70 K71 L72 K78K70-K74 WeakPolarHBondContact O-CG 3.45Å; K70-K74 PolarHBondContact O-N 2.83Å; K71-K74 WeakPolarHBondContact O-CB 3.44Å; K71-K74 PolarHBondContact O-N 2.97Å; L72-K74 VanDerWaalsContact C-N 3.29Å; L72-K74 PolarHBondContact O-N 2.95Å; K74-K78 WeakPolarHBondContact O-CG 3.45Å; K74-K78 PolarHBondContact O-N 3.4Å
75L90.7Very high86.9Confident5 Ų568.6 Ų68.63%0.02632%0.316CS..Hα-helixtrans-64.4-52.1174.8172.855.8000110.7Y11 V13 R46 V48 K71 L72 K77 K78 L79Y11-L75 HydrophobicContact CG-CD2 4.39Å; V13-L75 HydrophobicContact CG2-CD2 3.96Å; V13-L75 HydrophobicContact CG2-CG 4.44Å; R46-L75 HydrophobicContact CG-CD1 3.89Å; V48-L75 HydrophobicContact CB-CD2 4.47Å; V48-L75 HydrophobicContact CG2-CB 4.43Å; V48-L75 HydrophobicContact CG2-CD1 3.64Å; V48-L75 HydrophobicContact CG2-CD2 4.09Å; V48-L75 HydrophobicContact CG2-CG 4.27Å; K71-L75 PolarHBondContact O-N 3.1Å; L72-L75 HydrophobicContact CD1-CD2 4.26Å; L72-L75 WeakPolarHBondContact O-CB 3.36Å; L72-L75 PolarHBondContact O-N 3.35Å; L75-K77 VanDerWaalsContact C-N 3.34Å; L75-K77 PolarHBondContact O-N 2.87Å; L75-K78 WeakPolarHBondContact O-CB 3.38Å; L75-K78 PolarHBondContact O-N 2.94Å; L75-L79 HydrophobicContact CD1-CD1 4Å; L75-L79 HydrophobicContact CD1-CG 4.31Å; L75-L79 HydrophobicContact CG-CD1 4.3Å; L75-L79 PolarHBondContact O-N 2.57Å
76L90.3Very high86.8Confident0 Ų071.3 Ų71.30%033%0.334CS..Hα-helixtrans-62.8-38.3179.5-64.3179.9000112.5L68 L72 K78 L79 Y80 L89 I100 M104 I106L68-L76 HydrophobicContact CD1-CD1 4.11Å; L72-L76 HydrophobicContact CD1-CG 4.27Å; L72-L76 HydrophobicContact CG-CD1 4.29Å; L72-L76 HydrophobicContact CG-CG 4.46Å; L72-L76 WeakPolarHBondContact O-CG 3.41Å; L72-L76 PolarHBondContact O-N 3.37Å; L76-K78 VanDerWaalsContact C-N 3.29Å; L76-K78 PolarHBondContact O-N 3.04Å; L76-L79 PolarHBondContact O-N 3.36Å; L76-Y80 HydrophobicContact CD2-CD2 4.37Å; L76-Y80 HydrophobicContact CD2-CE2 4.22Å; L76-Y80 WeakPolarHBondContact O-CB 3.29Å; L76-Y80 PolarHBondContact O-N 3.13Å; L76-L89 HydrophobicContact CD1-CD2 4.35Å; L76-L89 HydrophobicContact CD2-CD2 3.75Å; L76-I100 HydrophobicContact CD1-CD1 4.13Å; L76-I100 HydrophobicContact CD1-CG1 4.16Å; L76-I100 HydrophobicContact CD1-CG2 3.87Å; L76-M104 HydrophobicContact CB-CE 4.37Å; L76-I106 HydrophobicContact CB-CD1 3.96Å; L76-I106 HydrophobicContact CD1-CD1 4.19Å; L76-I106 HydrophobicContact CG-CD1 4.49Å
77K89.2Confident86.7Confident100 Ų10073.1 Ų73.144%0.43534%0.342SS..Iπ-helixtrans-59.9-36.5172.5-80.9-174.9176.3-164.20113K73 L75 V81 K82 M104K73-K77 WeakPolarHBondContact O-CB 3.42Å; K73-K77 VanDerWaalsContact O-CG 3.3Å; K73-K77 WeakPolarHBondContact O-CG 3.42Å; K73-K77 PolarHBondContact O-N 3.02Å; L75-K77 VanDerWaalsContact C-N 3.34Å; L75-K77 PolarHBondContact O-N 2.87Å; K77-V81 WeakPolarHBondContact O-CA 3.33Å; K77-V81 VanDerWaalsContact O-CB 3.26Å; K77-V81 WeakPolarHBondContact O-CB 3.43Å; K77-V81 PolarHBondContact O-N 3.41Å; K77-V81 VanDerWaalsContact O-N 3.14Å; K77-K82 PolarHBondContact O-N 2.86Å; K77-M104 HydrophobicContact CB-CE 4.43Å; K77-M104 HydrophobicContact CD-CE 4.49Å; K77-M104 HydrophobicContact CG-CE 3.43Å; K77-M104 VanDerWaalsContact CG-CE 3.43Å; K77-M104 HydrophobicContact CG-SD 4.44Å
78K89.6Confident86.7Confident101 Ų10171 Ų7144%0.43934%0.338SS..Iπ-helixtrans-67-47177.1-73.2175.9178.3-172.20110.5K74 L75 L76 K82 E83K74-K78 WeakPolarHBondContact O-CG 3.45Å; K74-K78 PolarHBondContact O-N 3.4Å; L75-K78 WeakPolarHBondContact O-CB 3.38Å; L75-K78 PolarHBondContact O-N 2.94Å; L76-K78 VanDerWaalsContact C-N 3.29Å; L76-K78 PolarHBondContact O-N 3.04Å; K78-K82 HydrophobicContact CG-CD 4.4Å; K78-K82 WeakPolarHBondContact O-CB 3.4Å; K78-K82 PolarHBondContact O-N 3.18Å; K78-E83 PolarHBondContact O-N 3.38Å
79L87.1Confident86.9Confident2 Ų270.1 Ų70.11%0.0133%0.333CS..Iπ-helixtrans-69.8-50.7-177.2-62.3172.8000113V13 L75 L76 E83 R85V13-L79 HydrophobicContact CB-CD1 4.33Å; V13-L79 HydrophobicContact CG1-CD1 4.07Å; V13-L79 HydrophobicContact CG2-CD1 3.96Å; L75-L79 HydrophobicContact CD1-CD1 4Å; L75-L79 HydrophobicContact CD1-CG 4.31Å; L75-L79 HydrophobicContact CG-CD1 4.3Å; L75-L79 PolarHBondContact O-N 2.57Å; L76-L79 PolarHBondContact O-N 3.36Å; L79-E83 WeakPolarHBondContact CD2-OE2 3.43Å; L79-E83 WeakPolarHBondContact O-CB 3.39Å; L79-R85 WeakPolarHBondContact O-CB 3.44Å; L79-R85 WeakPolarHBondContact O-CG 3.43Å; L79-R85 PolarHBondContact O-N 3.11Å
80Y86.3Confident87Confident23 Ų2370 Ų709%0.0933%0.332CS..Iπ-helixtrans-89.6-32.2-171.3-75-87.1000113.8L2 L76 L84 R85 D87 L89 I106L2-Y80 HydrophobicContact CD1-CE2 4.31Å; L76-Y80 HydrophobicContact CD2-CD2 4.37Å; L76-Y80 HydrophobicContact CD2-CE2 4.22Å; L76-Y80 WeakPolarHBondContact O-CB 3.29Å; L76-Y80 PolarHBondContact O-N 3.13Å; Y80-L84 WeakPolarHBondContact O-CA 3.41Å; Y80-R85 HydrophobicContact CD1-CB 4.44Å; Y80-R85 WeakPolarHBondContact CD1-O 3.47Å; Y80-R85 WeakPolarHBondContact CE1-O 3.47Å; Y80-D87 WeakPolarHBondContact CE1-O 3.37Å; Y80-D87 PolarHBondContact OH-O 3.19Å; Y80-L89 WeakPolarHBondContact OH-CB 3.48Å; Y80-I106 HydrophobicContact CD1-CD1 4.49Å; Y80-I106 HydrophobicContact CD1-CG1 4.16Å; Y80-I106 HydrophobicContact CD1-CG2 4.05Å; Y80-I106 HydrophobicContact CD2-CD1 3.65Å; Y80-I106 HydrophobicContact CD2-CG1 4.2Å; Y80-I106 HydrophobicContact CD2-CG2 4.27Å; Y80-I106 HydrophobicContact CE1-CG2 3.69Å; Y80-I106 HydrophobicContact CE2-CD1 4.2Å; Y80-I106 HydrophobicContact CE2-CG2 3.91Å; Y80-I106 HydrophobicContact CG-CD1 3.83Å; Y80-I106 HydrophobicContact CG-CG1 3.94Å; Y80-I106 HydrophobicContact CG-CG2 4.34Å
81V80.8Confident87.2Confident95 Ų9561.3 Ų61.358%0.57629%0.294SS*.Iπ-helixtrans-99.2-36.5-174.4-176.70000112.3K77K77-V81 WeakPolarHBondContact O-CA 3.33Å; K77-V81 VanDerWaalsContact O-CB 3.26Å; K77-V81 WeakPolarHBondContact O-CB 3.43Å; K77-V81 PolarHBondContact O-N 3.41Å; K77-V81 VanDerWaalsContact O-N 3.14Å
82K79.5Confident87.2Confident165 Ų16560.9 Ų60.972%0.71730%0.299SS*.Iπ-helixtrans-91.4-43.4179.9-60.8-172.3172.2-162.80112.9K77 K78 L84K77-K82 PolarHBondContact O-N 2.86Å; K78-K82 HydrophobicContact CG-CD 4.4Å; K78-K82 WeakPolarHBondContact O-CB 3.4Å; K78-K82 PolarHBondContact O-N 3.18Å; K82-L84 VanDerWaalsContact C-N 3.3Å
83E82.8Confident87.2Confident99 Ų9963.5 Ų63.546%0.46331%0.313SS..SBendtrans-88.2-2178.4-64.2166.4-161.800112.3K78 L79 R85K78-E83 PolarHBondContact O-N 3.38Å; L79-E83 WeakPolarHBondContact CD2-OE2 3.43Å; L79-E83 WeakPolarHBondContact O-CB 3.39Å; E83-R85 HydrophobicContact CB-CG 4.27Å; E83-R85 PolarHBondContact O-N 3.47Å
84L78.9Confident87.2Confident136 Ų13667 Ų6771%0.71233%0.328SS*.  trans51.951.9173-13583.5000113.4Y80 K82Y80-L84 WeakPolarHBondContact O-CA 3.41Å; K82-L84 VanDerWaalsContact C-N 3.3Å
85R77.5Confident87.2Confident42 Ų4267 Ų6716%0.15833%0.328CS..  trans-89.1134.1-178.2-67.7-103.5-92.4-123.9-8.6111.2E45 L79 Y80 E83 D87E45-R85 VanDerWaalsContact CD-NH2 3.27Å; E45-R85 VanDerWaalsContact CG-NH2 3.29Å; E45-R85 IonicContact OE1-CZ 3.01Å; E45-R85 VanDerWaalsContact OE1-CZ 3.23Å; E45-R85 IonicContact OE1-NH1 3.99Å; E45-R85 PolarHBondContact OE1-NH1 3.45Å; E45-R85 IonicContact OE1-NH2 3.49Å; E45-R85 PolarHBondContact OE1-NH2 2.96Å; L79-R85 WeakPolarHBondContact O-CB 3.44Å; L79-R85 WeakPolarHBondContact O-CG 3.43Å; L79-R85 PolarHBondContact O-N 3.11Å; Y80-R85 HydrophobicContact CD1-CB 4.44Å; Y80-R85 WeakPolarHBondContact CD1-O 3.47Å; Y80-R85 WeakPolarHBondContact CE1-O 3.47Å; E83-R85 HydrophobicContact CB-CG 4.27Å; E83-R85 PolarHBondContact O-N 3.47Å; R85-D87 IonicContact NE-OD2 3.6Å; R85-D87 PolarHBondContact NE-OD2 3.21Å
86D80.8Confident87.2Confident153 Ų15366.7 Ų66.782%0.81833%0.327SS*.  trans-101.67.2176.8-63.8-24.9000113.1
87D85.8Confident87.3Confident42 Ų4267.1 Ų67.123%0.22533%0.329CS..  trans-63.8138.3-178.3-75.6-69.4000113.2M1 L2 Y80 R85 L89M1-D87 PolarHBondContact N-OD1 3.13Å; L2-D87 HydrophobicContact CD1-CB 4.11Å; L2-D87 HydrophobicContact CG-CB 3.75Å; Y80-D87 WeakPolarHBondContact CE1-O 3.37Å; Y80-D87 PolarHBondContact OH-O 3.19Å; R85-D87 IonicContact NE-OD2 3.6Å; R85-D87 PolarHBondContact NE-OD2 3.21Å; D87-L89 PolarHBondContact O-N 3.18Å
88V89.8Confident87.4Confident56 Ų5666.3 Ų66.334%0.33933%0.333SS..  trans-66.6133.3169-176.60000110.7M1 L2 P107 V109M1-V88 WeakPolarHBondContact CA-O 3.3Å; M1-V88 WeakPolarHBondContact CG-O 3.4Å; L2-V88 PolarHBondContact N-O 3.41Å; V88-P107 HydrophobicContact CG2-CB 4.33Å; V88-P107 HydrophobicContact CG2-CG 4.48Å; V88-V109 HydrophobicContact CG1-CB 4.12Å; V88-V109 HydrophobicContact CG1-CG2 3.43Å; V88-V109 VanDerWaalsContact CG1-CG2 3.43Å
89L92.5Very high87.5Confident0 Ų062.9 Ų62.90%032%0.319CS..EExtended strand (participates in β ladder)trans-94.7112-179.9-172.467.6000111.9L2 L4 L76 Y80 D87 V91 I100 I106 P107 T108 V109L2-L89 HydrophobicContact CB-CD1 4.01Å; L2-L89 CarbonylContact O-C 3.56Å; L2-L89 WeakPolarHBondContact O-CA 3.3Å; L4-L89 HydrophobicContact CB-CD1 4.15Å; L76-L89 HydrophobicContact CD1-CD2 4.35Å; L76-L89 HydrophobicContact CD2-CD2 3.75Å; Y80-L89 WeakPolarHBondContact OH-CB 3.48Å; D87-L89 PolarHBondContact O-N 3.18Å; L89-V91 HydrophobicContact CD2-CG2 3.94Å; L89-V91 HydrophobicContact CG-CG2 3.89Å; L89-I100 HydrophobicContact CD2-CD1 4.37Å; L89-I100 HydrophobicContact CD2-CG2 4.3Å; L89-I106 HydrophobicContact CB-CG2 4.04Å; L89-I106 HydrophobicContact CD2-CG2 4.43Å; L89-P107 PolarHBondContact N-O 2.83Å; L89-T108 HydrophobicContact CB-CG2 4.14Å; L89-T108 HydrophobicContact CD2-CG2 4.31Å; L89-T108 CarbonylContact O-C 3.55Å; L89-T108 WeakPolarHBondContact O-CA 3.4Å; L89-V109 PolarHBondContact O-N 3.43Å
90A92.7Very high87.7Confident0 Ų062.8 Ų62.80%032%0.319CS..EExtended strand (participates in β ladder)trans-78123.8170.700000111.1M1 L2 V3 L4 V109 V114M1-A90 HydrophobicContact CG-CB 4.25Å; M1-A90 HydrophobicContact SD-CB 4.01Å; L2-A90 WeakPolarHBondContact O-CB 3.27Å; L2-A90 PolarHBondContact O-N 3.22Å; V3-A90 HydrophobicContact CB-CB 4.4Å; V3-A90 HydrophobicContact CG1-CB 4.3Å; V3-A90 HydrophobicContact CG2-CB 4.14Å; L4-A90 PolarHBondContact N-O 3.32Å; A90-V109 WeakPolarHBondContact CA-O 3.42Å; A90-V114 HydrophobicContact CB-CB 4.46Å; A90-V114 HydrophobicContact CB-CG1 3.93Å; A90-V114 HydrophobicContact CB-CG2 3.73Å
91V93.3Very high87.9Confident2 Ų265.3 Ų65.31%0.01233%0.334CS..  trans-129.2136.6-178.4-176.60000109.4L89 L96 I100 T108 V109 S110L89-V91 HydrophobicContact CD2-CG2 3.94Å; L89-V91 HydrophobicContact CG-CG2 3.89Å; V91-L96 HydrophobicContact CG1-CB 4.16Å; V91-L96 HydrophobicContact CG1-CD2 3.88Å; V91-L96 HydrophobicContact CG1-CG 4.05Å; V91-I100 HydrophobicContact CG2-CD1 4.17Å; V91-T108 HydrophobicContact CG2-CG2 4.4Å; V91-V109 PolarHBondContact N-O 3.37Å; V91-S110 WeakPolarHBondContact O-CA 3.34Å; V91-S110 VanDerWaalsContact O-CB 3.23Å; V91-S110 WeakPolarHBondContact O-CB 3.26Å
92A90.4Very high88.4Confident35 Ų3565.4 Ų65.429%0.28934%0.335SS..SBendtrans-70-44.4-176.600000112.8Q115 M118A92-Q115 PolarHBondContact O-NE2 3.31Å; A92-M118 HydrophobicContact CB-CE 3.84Å; A92-M118 HydrophobicContact CB-CG 4.1Å; A92-M118 HydrophobicContact CB-SD 3.96Å
93D90.6Very high88.8Confident54 Ų5462.6 Ų62.629%0.28932%0.322SS..  trans-88.7126.2178-178.913.5000111.3K95 L96 S97D93-K95 VanDerWaalsContact C-N 3.33Å; D93-K95 PolarHBondContact O-N 3.3Å; D93-K95 PolarHBondContact OD1-N 3.1Å; D93-L96 HydrophobicContact CB-CB 4.05Å; D93-L96 PolarHBondContact O-N 2.92Å; D93-S97 WeakPolarHBondContact O-CB 3.47Å; D93-S97 PolarHBondContact O-N 3.39Å
94K91.1Very high89.1Confident149 Ų14959.5 Ų59.565%0.64831%0.309SS*.Hα-helixtrans-63.6-35.9176.3-175.2171.8-178.7173.20112.3S97 V98K94-S97 WeakPolarHBondContact O-CB 3.31Å; K94-S97 PolarHBondContact O-N 3.3Å; K94-V98 WeakPolarHBondContact O-CG2 3.44Å; K94-V98 PolarHBondContact O-N 2.91Å
95K91.1Very high89.4Confident147 Ų14757.9 Ų57.964%0.63931%0.308SS*.Hα-helixtrans-67-47.9178.8-70.1-176.8178.2-178.80111D93 S97 V98 D99D93-K95 VanDerWaalsContact C-N 3.33Å; D93-K95 PolarHBondContact O-N 3.3Å; D93-K95 PolarHBondContact OD1-N 3.1Å; K95-S97 VanDerWaalsContact C-N 3.29Å; K95-S97 PolarHBondContact O-N 2.91Å; K95-V98 PolarHBondContact O-N 3.45Å; K95-V98 VanDerWaalsContact O-N 3.16Å; K95-D99 PolarHBondContact O-N 2.94Å
96L91.6Very high89.9Confident0 Ų056.1 Ų56.10%030%0.302CS..Hα-helixtrans-59.3-40.9174.6-177.162.2000111.9E6 G66 L72 V91 D93 V98 D99 I100E6-L96 WeakPolarHBondContact OE1-CD2 3.3Å; G66-L96 WeakPolarHBondContact O-CA 3.22Å; L72-L96 HydrophobicContact CD2-CD1 4.39Å; L72-L96 HydrophobicContact CD2-CD2 4.38Å; V91-L96 HydrophobicContact CG1-CB 4.16Å; V91-L96 HydrophobicContact CG1-CD2 3.88Å; V91-L96 HydrophobicContact CG1-CG 4.05Å; D93-L96 HydrophobicContact CB-CB 4.05Å; D93-L96 PolarHBondContact O-N 2.92Å; L96-V98 PolarHBondContact O-N 3.37Å; L96-D99 PolarHBondContact O-N 3Å; L96-I100 HydrophobicContact CD1-CD1 4.08Å; L96-I100 HydrophobicContact CD1-CG1 4.23Å; L96-I100 HydrophobicContact CD2-CD1 4.45Å; L96-I100 HydrophobicContact CG-CD1 3.81Å; L96-I100 HydrophobicContact CG-CG1 4.39Å; L96-I100 WeakPolarHBondContact O-CB 3.47Å; L96-I100 VanDerWaalsContact O-CG1 3.26Å; L96-I100 WeakPolarHBondContact O-CG1 3.49Å; L96-I100 PolarHBondContact O-N 3.36Å
97S91.5Very high90.3Very high8 Ų851.7 Ų51.76%0.05628%0.282CS..Hα-helixtrans-55.5-47.7173.8177.50000112.1D93 K94 K95 I100 N101 T108D93-S97 WeakPolarHBondContact O-CB 3.47Å; D93-S97 PolarHBondContact O-N 3.39Å; K94-S97 WeakPolarHBondContact O-CB 3.31Å; K94-S97 PolarHBondContact O-N 3.3Å; K95-S97 VanDerWaalsContact C-N 3.29Å; K95-S97 PolarHBondContact O-N 2.91Å; S97-I100 PolarHBondContact O-N 3.3Å; S97-N101 WeakPolarHBondContact O-CB 3.37Å; S97-N101 PolarHBondContact O-N 3.11Å; S97-T108 PolarHBondContact O-OG1 3.41Å; S97-T108 WeakPolarHBondContact OG-CB 3.41Å; S97-T108 PolarHBondContact OG-OG1 3.36Å
98V91.3Very high90.6Very high83 Ų8350.9 Ų50.950%0.50328%0.278SS..Hα-helixtrans-65.2-43.4177.2173.80000111.6K94 K95 L96 I100 N101 T102K94-V98 WeakPolarHBondContact O-CG2 3.44Å; K94-V98 PolarHBondContact O-N 2.91Å; K95-V98 PolarHBondContact O-N 3.45Å; K95-V98 VanDerWaalsContact O-N 3.16Å; L96-V98 PolarHBondContact O-N 3.37Å; V98-I100 VanDerWaalsContact C-N 3.35Å; V98-I100 PolarHBondContact O-N 2.73Å; V98-N101 PolarHBondContact O-N 2.9Å; V98-T102 HydrophobicContact CG1-CG2 4.28Å; V98-T102 WeakPolarHBondContact O-CB 3.02Å; V98-T102 VanDerWaalsContact O-CG2 3.3Å; V98-T102 WeakPolarHBondContact O-CG2 3.47Å; V98-T102 PolarHBondContact O-N 3.1Å; V98-T102 PolarHBondContact O-OG1 3.04Å
99D91.2Very high90.7Very high29 Ų2950.3 Ų50.316%0.15528%0.275CS..Hα-helixtrans-65.1-37.3179.5-165.759.6000112.4G66 L68 K95 L96 T102 K103G66-D99 VanDerWaalsContact O-CB 3.28Å; G66-D99 WeakPolarHBondContact O-CB 3.28Å; L68-D99 VanDerWaalsContact CB-OD2 3.31Å; L68-D99 WeakPolarHBondContact CB-OD2 3.36Å; L68-D99 PolarHBondContact N-OD2 3.18Å; K95-D99 PolarHBondContact O-N 2.94Å; L96-D99 PolarHBondContact O-N 3Å; D99-T102 WeakPolarHBondContact CA-OG1 3.35Å; D99-T102 PolarHBondContact O-OG1 2.92Å; D99-K103 WeakPolarHBondContact O-CB 3.42Å; D99-K103 WeakPolarHBondContact O-CG 3.44Å; D99-K103 PolarHBondContact O-N 3.4Å; D99-K103 VanDerWaalsContact O-N 3.07Å; D99-K103 WeakPolarHBondContact OD1-CE 3.3Å; D99-K103 IonicContact OD1-NZ 2.68Å; D99-K103 PolarHBondContact OD1-NZ 2.61Å; D99-K103 IonicContact OD2-NZ 2.69Å; D99-K103 PolarHBondContact OD2-NZ 2.88Å
100I92.3Very high90.5Very high0 Ų051.7 Ų51.70%029%0.285CS..Hα-helixtrans-64.9-50.5173.6-70.7167.1000110.6L4 L68 L72 L76 L89 V91 L96 S97 V98 T102 K103 M104 I106 T108L4-I100 HydrophobicContact CD2-CD1 4.45Å; L68-I100 HydrophobicContact CD1-CG1 4.05Å; L72-I100 HydrophobicContact CD2-CD1 4.44Å; L76-I100 HydrophobicContact CD1-CD1 4.13Å; L76-I100 HydrophobicContact CD1-CG1 4.16Å; L76-I100 HydrophobicContact CD1-CG2 3.87Å; L89-I100 HydrophobicContact CD2-CD1 4.37Å; L89-I100 HydrophobicContact CD2-CG2 4.3Å; V91-I100 HydrophobicContact CG2-CD1 4.17Å; L96-I100 HydrophobicContact CD1-CD1 4.08Å; L96-I100 HydrophobicContact CD1-CG1 4.23Å; L96-I100 HydrophobicContact CD2-CD1 4.45Å; L96-I100 HydrophobicContact CG-CD1 3.81Å; L96-I100 HydrophobicContact CG-CG1 4.39Å; L96-I100 WeakPolarHBondContact O-CB 3.47Å; L96-I100 VanDerWaalsContact O-CG1 3.26Å; L96-I100 WeakPolarHBondContact O-CG1 3.49Å; L96-I100 PolarHBondContact O-N 3.36Å; S97-I100 PolarHBondContact O-N 3.3Å; V98-I100 VanDerWaalsContact C-N 3.35Å; V98-I100 PolarHBondContact O-N 2.73Å; I100-T102 VanDerWaalsContact C-N 3.34Å; I100-T102 PolarHBondContact O-N 2.88Å; I100-K103 PolarHBondContact O-N 3.36Å; I100-M104 WeakPolarHBondContact O-CB 3.48Å; I100-M104 PolarHBondContact O-N 2.88Å; I100-I106 HydrophobicContact CG2-CB 4.21Å; I100-I106 HydrophobicContact CG2-CD1 4.34Å; I100-T108 HydrophobicContact CB-CG2 4.2Å; I100-T108 HydrophobicContact CG2-CG2 3.8Å
101N90.7Very high90.4Very high76 Ų7656.6 Ų56.641%0.40631%0.311SS..Hα-helixtrans-60-45.9-178.5-171.8-0.7000111S97 V98 S105 I106S97-N101 WeakPolarHBondContact O-CB 3.37Å; S97-N101 PolarHBondContact O-N 3.11Å; V98-N101 PolarHBondContact O-N 2.9Å; N101-S105 WeakPolarHBondContact O-CA 3.37Å; N101-S105 PolarHBondContact O-N 3.33Å; N101-I106 PolarHBondContact OD1-O 2.89Å
102T90.2Very high90.2Very high97 Ų9761.4 Ų61.460%0.59535%0.345SS*.Hα-helixtrans-64.7-41.6178.5510000113.9V98 D99 I100V98-T102 HydrophobicContact CG1-CG2 4.28Å; V98-T102 WeakPolarHBondContact O-CB 3.02Å; V98-T102 VanDerWaalsContact O-CG2 3.3Å; V98-T102 WeakPolarHBondContact O-CG2 3.47Å; V98-T102 PolarHBondContact O-N 3.1Å; V98-T102 PolarHBondContact O-OG1 3.04Å; D99-T102 WeakPolarHBondContact CA-OG1 3.35Å; D99-T102 PolarHBondContact O-OG1 2.92Å; I100-T102 VanDerWaalsContact C-N 3.34Å; I100-T102 PolarHBondContact O-N 2.88Å
103K89.4Confident90Very high106 Ų10662 Ų6246%0.46134%0.343SS..Hα-helixtrans-86.7-23.8-175.2-73175178.7156.10114.9L68 D99 I100L68-K103 HydrophobicContact CB-CD 4.44Å; L68-K103 HydrophobicContact CD2-CB 4.43Å; D99-K103 WeakPolarHBondContact O-CB 3.42Å; D99-K103 WeakPolarHBondContact O-CG 3.44Å; D99-K103 PolarHBondContact O-N 3.4Å; D99-K103 VanDerWaalsContact O-N 3.07Å; D99-K103 WeakPolarHBondContact OD1-CE 3.3Å; D99-K103 IonicContact OD1-NZ 2.68Å; D99-K103 PolarHBondContact OD1-NZ 2.61Å; D99-K103 IonicContact OD2-NZ 2.69Å; D99-K103 PolarHBondContact OD2-NZ 2.88Å; I100-K103 PolarHBondContact O-N 3.36Å
104M87.3Confident90Very high35 Ų3559.5 Ų59.517%0.17233%0.329CS..Hα-helixtrans-125.2-7.9-171.9-65.2-70.7-68.900113.4L68 K73 L76 K77 I100 I106L68-M104 HydrophobicContact CD2-CG 3.78Å; K73-M104 HydrophobicContact CD-SD 4.37Å; K73-M104 HydrophobicContact CG-SD 3.93Å; L76-M104 HydrophobicContact CB-CE 4.37Å; K77-M104 HydrophobicContact CB-CE 4.43Å; K77-M104 HydrophobicContact CD-CE 4.49Å; K77-M104 HydrophobicContact CG-CE 3.43Å; K77-M104 VanDerWaalsContact CG-CE 3.43Å; K77-M104 HydrophobicContact CG-SD 4.44Å; I100-M104 WeakPolarHBondContact O-CB 3.48Å; I100-M104 PolarHBondContact O-N 2.88Å; M104-I106 HydrophobicContact CB-CD1 3.67Å; M104-I106 HydrophobicContact CB-CG1 3.86Å; M104-I106 HydrophobicContact CE-CD1 4.33Å; M104-I106 HydrophobicContact CG-CD1 4.39Å; M104-I106 PolarHBondContact O-N 3.47Å
105S85.9Confident90.1Very high101 Ų10157 Ų5771%0.70632%0.32SS*.  trans55.732.2-176.8-52.80000113.3N101N101-S105 WeakPolarHBondContact O-CA 3.37Å; N101-S105 PolarHBondContact O-N 3.33Å
106I87.9Confident90.1Very high5 Ų551 Ų513%0.02630%0.295CS..  trans-89.6130.8176.8-64.8167000108.2L76 Y80 L89 I100 N101 M104 T108L76-I106 HydrophobicContact CB-CD1 3.96Å; L76-I106 HydrophobicContact CD1-CD1 4.19Å; L76-I106 HydrophobicContact CG-CD1 4.49Å; Y80-I106 HydrophobicContact CD1-CD1 4.49Å; Y80-I106 HydrophobicContact CD1-CG1 4.16Å; Y80-I106 HydrophobicContact CD1-CG2 4.05Å; Y80-I106 HydrophobicContact CD2-CD1 3.65Å; Y80-I106 HydrophobicContact CD2-CG1 4.2Å; Y80-I106 HydrophobicContact CD2-CG2 4.27Å; Y80-I106 HydrophobicContact CE1-CG2 3.69Å; Y80-I106 HydrophobicContact CE2-CD1 4.2Å; Y80-I106 HydrophobicContact CE2-CG2 3.91Å; Y80-I106 HydrophobicContact CG-CD1 3.83Å; Y80-I106 HydrophobicContact CG-CG1 3.94Å; Y80-I106 HydrophobicContact CG-CG2 4.34Å; L89-I106 HydrophobicContact CB-CG2 4.04Å; L89-I106 HydrophobicContact CD2-CG2 4.43Å; I100-I106 HydrophobicContact CG2-CB 4.21Å; I100-I106 HydrophobicContact CG2-CD1 4.34Å; N101-I106 PolarHBondContact OD1-O 2.89Å; M104-I106 HydrophobicContact CB-CD1 3.67Å; M104-I106 HydrophobicContact CB-CG1 3.86Å; M104-I106 HydrophobicContact CE-CD1 4.33Å; M104-I106 HydrophobicContact CG-CD1 4.39Å; M104-I106 PolarHBondContact O-N 3.47Å; I106-T108 PolarHBondContact O-N 3.44Å
107P89.2Confident90Very high61 Ų6151 Ų5140%0.39630%0.295SS..  trans-65.2121.1174.225.7-32.2000110.1V88 L89V88-P107 HydrophobicContact CG2-CB 4.33Å; V88-P107 HydrophobicContact CG2-CG 4.48Å; L89-P107 PolarHBondContact N-O 2.83Å
108T91.8Very high90.1Very high24 Ų2450.8 Ų50.815%0.14729%0.293CS..EExtended strand (participates in β ladder)trans-121.5149.6-178.656.50000112.3L89 V91 S97 I100 I106L89-T108 HydrophobicContact CB-CG2 4.14Å; L89-T108 HydrophobicContact CD2-CG2 4.31Å; L89-T108 CarbonylContact O-C 3.55Å; L89-T108 WeakPolarHBondContact O-CA 3.4Å; V91-T108 HydrophobicContact CG2-CG2 4.4Å; S97-T108 PolarHBondContact O-OG1 3.41Å; S97-T108 WeakPolarHBondContact OG-CB 3.41Å; S97-T108 PolarHBondContact OG-OG1 3.36Å; I100-T108 HydrophobicContact CB-CG2 4.2Å; I100-T108 HydrophobicContact CG2-CG2 3.8Å; I106-T108 PolarHBondContact O-N 3.44Å
109V91.8Very high90Very high45 Ų4552.4 Ų52.427%0.27329%0.29SS..EExtended strand (participates in β ladder)trans-132.7140.3176.4172.20000110V88 L89 A90 V91 D111 V114V88-V109 HydrophobicContact CG1-CB 4.12Å; V88-V109 HydrophobicContact CG1-CG2 3.43Å; V88-V109 VanDerWaalsContact CG1-CG2 3.43Å; L89-V109 PolarHBondContact O-N 3.43Å; A90-V109 WeakPolarHBondContact CA-O 3.42Å; V91-V109 PolarHBondContact N-O 3.37Å; V109-D111 HydrophobicContact CG1-CB 4.2Å; V109-D111 WeakPolarHBondContact CG1-OD2 3.29Å; V109-V114 HydrophobicContact CG1-CG2 3.99Å
110S88.9Confident90Very high29 Ų2951 Ų5120%0.20328%0.283CS..  trans-143.968-179.865.60000110.6V91V91-S110 WeakPolarHBondContact O-CA 3.34Å; V91-S110 VanDerWaalsContact O-CB 3.23Å; V91-S110 WeakPolarHBondContact O-CB 3.26Å
111D90.1Very high90Very high103 Ų10351 Ų5155%0.55128%0.283SS*.SBendtrans-112.9178.5-172.6-63.3-13.7000112.3V109 L113 V114 Q115V109-D111 HydrophobicContact CG1-CB 4.2Å; V109-D111 WeakPolarHBondContact CG1-OD2 3.29Å; D111-L113 PolarHBondContact O-N 2.84Å; D111-V114 WeakPolarHBondContact O-CA 3.38Å; D111-V114 WeakPolarHBondContact O-CB 3.31Å; D111-V114 PolarHBondContact O-N 3.29Å; D111-Q115 PolarHBondContact O-N 3.42Å; D111-Q115 VanDerWaalsContact O-N 3.07Å
112S88.9Confident90Very high103 Ų10355 Ų5572%0.7229%0.292SS*.Hα-helixtrans-55-37.8176.7-170.60000112.7V114 Q115 N116S112-V114 VanDerWaalsContact C-N 3.32Å; S112-V114 PolarHBondContact O-N 3.26Å; S112-Q115 PolarHBondContact O-N 3.34Å; S112-Q115 VanDerWaalsContact O-N 3.15Å; S112-N116 PolarHBondContact O-N 3.29Å
113L88.1Confident90Very high47 Ų4754.2 Ų54.225%0.24629%0.287CS..Hα-helixtrans-59.3-43.2174.6-172.172.3000111.8I22 R23 D111 Q115 N116 L117I22-L113 HydrophobicContact CG2-CD1 3.9Å; I22-L113 HydrophobicContact CG2-CG 4.3Å; R23-L113 HydrophobicContact CB-CD1 4.46Å; R23-L113 HydrophobicContact CG-CD1 3.88Å; R23-L113 HydrophobicContact CG-CD2 3.76Å; R23-L113 HydrophobicContact CG-CG 4.49Å; D111-L113 PolarHBondContact O-N 2.84Å; L113-Q115 VanDerWaalsContact C-N 3.33Å; L113-Q115 PolarHBondContact O-N 2.91Å; L113-N116 PolarHBondContact O-N 2.86Å; L113-L117 WeakPolarHBondContact O-CB 3.12Å; L113-L117 PolarHBondContact O-N 3.42Å
114V90.4Very high90Very high2 Ų250.3 Ų50.31%0.01227%0.271CS..Hα-helixtrans-64.1-41.5177.1178.60000109.8A90 V109 D111 S112 N116 L117 M118A90-V114 HydrophobicContact CB-CB 4.46Å; A90-V114 HydrophobicContact CB-CG1 3.93Å; A90-V114 HydrophobicContact CB-CG2 3.73Å; V109-V114 HydrophobicContact CG1-CG2 3.99Å; D111-V114 WeakPolarHBondContact O-CA 3.38Å; D111-V114 WeakPolarHBondContact O-CB 3.31Å; D111-V114 PolarHBondContact O-N 3.29Å; S112-V114 VanDerWaalsContact C-N 3.32Å; S112-V114 PolarHBondContact O-N 3.26Å; V114-N116 VanDerWaalsContact C-N 3.35Å; V114-N116 PolarHBondContact O-N 3.48Å; V114-L117 PolarHBondContact O-N 3.46Å; V114-M118 HydrophobicContact CG1-CE 3.63Å; V114-M118 HydrophobicContact CG1-CG 4.06Å; V114-M118 WeakPolarHBondContact O-CB 3.33Å; V114-M118 WeakPolarHBondContact O-CG 3.24Å; V114-M118 PolarHBondContact O-N 2.86Å
115Q92.3Very high89.9Confident95 Ų9548.8 Ų48.844%0.44426%0.263SS..Hα-helixtrans-63.3-39.9176.4-61.8-58.1-31.500112.5A92 D111 S112 L113 M118 R119A92-Q115 PolarHBondContact O-NE2 3.31Å; D111-Q115 PolarHBondContact O-N 3.42Å; D111-Q115 VanDerWaalsContact O-N 3.07Å; S112-Q115 PolarHBondContact O-N 3.34Å; S112-Q115 VanDerWaalsContact O-N 3.15Å; L113-Q115 VanDerWaalsContact C-N 3.33Å; L113-Q115 PolarHBondContact O-N 2.91Å; Q115-M118 PolarHBondContact O-N 2.97Å; Q115-R119 PolarHBondContact O-N 3.11Å
116N90.4Very high89.9Confident21 Ų2147.7 Ų47.711%0.11225%0.249CC..Hα-helixtrans-63-44174.9-162.414000111.3I25 D26 L28 S112 L113 V114 R119 G120I25-N116 PolarHBondContact O-ND2 3.28Å; D26-N116 PolarHBondContact O-ND2 3.41Å; L28-N116 HydrophobicContact CD1-CB 4.09Å; S112-N116 PolarHBondContact O-N 3.29Å; L113-N116 PolarHBondContact O-N 2.86Å; V114-N116 VanDerWaalsContact C-N 3.35Å; V114-N116 PolarHBondContact O-N 3.48Å; N116-R119 WeakPolarHBondContact O-CB 3.44Å; N116-R119 PolarHBondContact O-N 3.02Å; N116-R119 PolarHBondContact OD1-NH2 3.36Å; N116-G120 PolarHBondContact O-N 3.29Å
117L91Very high89.8Confident0 Ų051.8 Ų51.80%027%0.271CS..Hα-helixtrans-64.1-42.7177.6-172.859000112.1M1 V3 V16 I22 L28 F32 I42 L113 V114 R119 G120 I121M1-L117 HydrophobicContact CE-CD2 3.95Å; V3-L117 HydrophobicContact CB-CD2 4.41Å; V3-L117 HydrophobicContact CG1-CD2 4.2Å; V3-L117 HydrophobicContact CG2-CD2 3.34Å; V3-L117 HydrophobicContact CG2-CG 4.3Å; V16-L117 HydrophobicContact CG2-CD2 3.95Å; I22-L117 HydrophobicContact CD1-CD1 4.28Å; L28-L117 HydrophobicContact CD1-CB 4.15Å; L28-L117 HydrophobicContact CD1-CD1 4.15Å; F32-L117 HydrophobicContact CZ-CD1 4.12Å; I42-L117 HydrophobicContact CG2-CD1 4.04Å; L113-L117 WeakPolarHBondContact O-CB 3.12Å; L113-L117 PolarHBondContact O-N 3.42Å; V114-L117 PolarHBondContact O-N 3.46Å; L117-R119 VanDerWaalsContact C-N 3.27Å; L117-R119 PolarHBondContact O-N 3.12Å; L117-G120 PolarHBondContact O-N 3.46Å; L117-I121 HydrophobicContact CD1-CD1 4.42Å; L117-I121 HydrophobicContact CG-CD1 4.07Å; L117-I121 VanDerWaalsContact O-CG1 3.31Å; L117-I121 WeakPolarHBondContact O-CG1 3.12Å; L117-I121 PolarHBondContact O-N 2.75Å
118M92.2Very high89.6Confident5 Ų549.2 Ų49.23%0.02525%0.254CS..Hα-helixtrans-62.9-34.2174.8-66.1-77.7178.800111.8V3 L4 F5 A92 V114 Q115 R122V3-M118 HydrophobicContact CG1-CE 3.71Å; V3-M118 HydrophobicContact CG1-SD 4.25Å; L4-M118 VanDerWaalsContact O-CE 3.28Å; L4-M118 WeakPolarHBondContact O-CE 3.44Å; F5-M118 HydrophobicContact CD2-SD 3.66Å; F5-M118 HydrophobicContact CE2-SD 4.28Å; A92-M118 HydrophobicContact CB-CE 3.84Å; A92-M118 HydrophobicContact CB-CG 4.1Å; A92-M118 HydrophobicContact CB-SD 3.96Å; V114-M118 HydrophobicContact CG1-CE 3.63Å; V114-M118 HydrophobicContact CG1-CG 4.06Å; V114-M118 WeakPolarHBondContact O-CB 3.33Å; V114-M118 WeakPolarHBondContact O-CG 3.24Å; V114-M118 PolarHBondContact O-N 2.86Å; Q115-M118 PolarHBondContact O-N 2.97Å; M118-R122 WeakPolarHBondContact O-CB 3.43Å; M118-R122 PolarHBondContact O-N 3.32Å
119R90.9Very high89.2Confident117 Ų11748.2 Ų48.244%0.44225%0.248SC..Hα-helixtrans-65-49.7173.5-173.7176.272.7-149.84110.6D27 A29 Q115 N116 L117 I121 R122 T123D27-R119 IonicContact OD1-CZ 2.7Å; D27-R119 IonicContact OD1-NE 3.34Å; D27-R119 IonicContact OD1-NH2 3.46Å; D27-R119 PolarHBondContact OD1-NH2 2.62Å; A29-R119 HydrophobicContact CB-CG 4.45Å; Q115-R119 PolarHBondContact O-N 3.11Å; N116-R119 WeakPolarHBondContact O-CB 3.44Å; N116-R119 PolarHBondContact O-N 3.02Å; N116-R119 PolarHBondContact OD1-NH2 3.36Å; L117-R119 VanDerWaalsContact C-N 3.27Å; L117-R119 PolarHBondContact O-N 3.12Å; R119-I121 PolarHBondContact O-N 2.86Å; R119-R122 PolarHBondContact O-N 3.04Å; R119-T123 PolarHBondContact O-N 3Å; R119-T123 PolarHBondContact O-OG1 3.48Å
120G91.2Very high88.4Confident0 Ų051 Ų510%027%0.267CS..Hα-helixtrans-58-48.7177.200000112.7N116 L117 R122 T123 H124N116-G120 PolarHBondContact O-N 3.29Å; L117-G120 PolarHBondContact O-N 3.46Å; G120-R122 VanDerWaalsContact C-N 3.29Å; G120-R122 PolarHBondContact O-N 3.36Å; G120-T123 PolarHBondContact O-N 3.47Å; G120-H124 PolarHBondContact O-N 3Å
121I91.7Very high87.7Confident0 Ų054.2 Ų54.20%029%0.285CS..Hα-helixtrans-60.8-39.1177.3-66.1166.2000111.3V3 F5 F14 I42 L117 R119 I125 L128V3-I121 HydrophobicContact CB-CD1 4.43Å; V3-I121 HydrophobicContact CG1-CD1 3.83Å; F5-I121 HydrophobicContact CB-CG2 4.23Å; F5-I121 HydrophobicContact CD1-CG2 3.82Å; F5-I121 HydrophobicContact CD2-CB 4.06Å; F5-I121 HydrophobicContact CD2-CG2 3.53Å; F5-I121 HydrophobicContact CE1-CG2 4Å; F5-I121 HydrophobicContact CE2-CB 4.08Å; F5-I121 HydrophobicContact CE2-CG2 3.73Å; F5-I121 HydrophobicContact CG-CG2 3.59Å; F5-I121 HydrophobicContact CZ-CG2 3.97Å; F14-I121 HydrophobicContact CD2-CD1 3.92Å; F14-I121 HydrophobicContact CD2-CG2 4.17Å; F14-I121 HydrophobicContact CE2-CD1 4.42Å; F14-I121 HydrophobicContact CE2-CG2 3.58Å; F14-I121 HydrophobicContact CG-CD1 4.37Å; F14-I121 HydrophobicContact CZ-CG2 4.04Å; I42-I121 HydrophobicContact CD1-CG1 3.82Å; L117-I121 HydrophobicContact CD1-CD1 4.42Å; L117-I121 HydrophobicContact CG-CD1 4.07Å; L117-I121 VanDerWaalsContact O-CG1 3.31Å; L117-I121 WeakPolarHBondContact O-CG1 3.12Å; L117-I121 PolarHBondContact O-N 2.75Å; R119-I121 PolarHBondContact O-N 2.86Å; I121-I125 HydrophobicContact CG2-CD1 4.05Å; I121-I125 VanDerWaalsContact O-CA 3.27Å; I121-I125 WeakPolarHBondContact O-CA 3.18Å; I121-I125 VanDerWaalsContact O-CB 3.32Å; I121-I125 WeakPolarHBondContact O-CB 3.32Å; I121-I125 PolarHBondContact O-N 2.93Å; I121-L128 HydrophobicContact CB-CD1 4.23Å; I121-L128 HydrophobicContact CG1-CD1 4.18Å; I121-L128 HydrophobicContact CG2-CD1 4.07Å
122R90.6Very high86.8Confident160 Ų16050.1 Ų50.160%0.60426%0.263SS*.Hα-helixtrans-68.1-39.1-179.3-171.8-176.7-54.3-102.8-3.9112.7F5 M118 R119 G120F5-R122 HydrophobicContact CE2-CB 4.17Å; F5-R122 HydrophobicContact CZ-CB 3.84Å; F5-R122 HydrophobicContact CZ-CG 4.28Å; M118-R122 WeakPolarHBondContact O-CB 3.43Å; M118-R122 PolarHBondContact O-N 3.32Å; R119-R122 PolarHBondContact O-N 3.04Å; G120-R122 VanDerWaalsContact C-N 3.29Å; G120-R122 PolarHBondContact O-N 3.36Å
123T90.1Very high86.2Confident80 Ų8051.2 Ų51.249%0.49126%0.257SS..Hα-helixtrans-67.5-41.8179.1-57.10000111.5R119 G120R119-T123 PolarHBondContact O-N 3Å; R119-T123 PolarHBondContact O-OG1 3.48Å; G120-T123 PolarHBondContact O-N 3.47Å
124H89.4Confident85.6Confident24 Ų2453.3 Ų53.311%0.11127%0.269CS..THydrogen-bonded Turntrans-108.226.8-174-61.9-72.1000113.3A29 F32 M38 G120 D126 N127 L128A29-H124 PolarHBondContact O-NE2 3.39Å; F32-H124 WeakPolarHBondContact CB-CD2 3.42Å; M38-H124 HydrophobicContact SD-CB 4.1Å; G120-H124 PolarHBondContact O-N 3Å; H124-D126 PolarHBondContact O-N 3.34Å; H124-D126 VanDerWaalsContact O-N 3.16Å; H124-N127 PolarHBondContact O-N 3.5Å; H124-L128 PolarHBondContact O-N 3.18Å; H124-L128 VanDerWaalsContact O-N 3.15Å
125I86.1Confident85Confident3 Ų356.1 Ų56.12%0.01529%0.289CS..Hα-helixtrans-60.2-29.5-175.1-168.561000112.4F5 T7 F14 I121 L128 L129F5-I125 HydrophobicContact CD1-CD1 3.82Å; F5-I125 HydrophobicContact CE1-CD1 3.61Å; F5-I125 HydrophobicContact CE1-CG1 4.19Å; T7-I125 HydrophobicContact CG2-CD1 4.3Å; F14-I125 HydrophobicContact CZ-CD1 4.38Å; I121-I125 HydrophobicContact CG2-CD1 4.05Å; I121-I125 VanDerWaalsContact O-CA 3.27Å; I121-I125 WeakPolarHBondContact O-CA 3.18Å; I121-I125 VanDerWaalsContact O-CB 3.32Å; I121-I125 WeakPolarHBondContact O-CB 3.32Å; I121-I125 PolarHBondContact O-N 2.93Å; I125-L128 PolarHBondContact O-N 3.07Å; I125-L129 HydrophobicContact CD1-CB 4.32Å; I125-L129 WeakPolarHBondContact O-CB 3.41Å; I125-L129 PolarHBondContact O-N 3.08Å
126D84.1Confident84.7Confident77 Ų7755.4 Ų55.441%0.41229%0.285SS..Hα-helixtrans-69.3-35.9-177.9-52.7-34.6000111.3H124H124-D126 PolarHBondContact O-N 3.34Å; H124-D126 VanDerWaalsContact O-N 3.16Å
127N86.1Confident84.4Confident91 Ų9154.6 Ų54.649%0.48728%0.281SS..Hα-helixtrans-76.1-35.8174.5-65.3-24.9000111.9M38 H124M38-N127 HydrophobicContact CE-CB 4.03Å; M38-N127 HydrophobicContact SD-CB 4.42Å; H124-N127 PolarHBondContact O-N 3.5Å
128L85.7Confident84.2Confident8 Ų860.4 Ų60.44%0.04231%0.309CS..Hα-helixtrans-79-23.3-177.5-73.9170.7000113.7F14 M38 I42 I121 H124 I125 P130F14-L128 HydrophobicContact CE1-CB 3.81Å; F14-L128 HydrophobicContact CE1-CD1 4.4Å; F14-L128 HydrophobicContact CE1-CD2 4.2Å; F14-L128 HydrophobicContact CE1-CG 4.37Å; F14-L128 HydrophobicContact CZ-CB 4.04Å; M38-L128 HydrophobicContact CE-CD2 3.74Å; M38-L128 HydrophobicContact CE-CG 4.12Å; M38-L128 HydrophobicContact CG-CD2 4Å; M38-L128 HydrophobicContact SD-CD1 4.17Å; M38-L128 HydrophobicContact SD-CD2 3.58Å; M38-L128 VanDerWaalsContact SD-CD2 3.58Å; M38-L128 HydrophobicContact SD-CG 3.61Å; I42-L128 HydrophobicContact CD1-CD1 3.66Å; I42-L128 HydrophobicContact CD1-CD2 3.71Å; I42-L128 HydrophobicContact CD1-CG 4.35Å; I42-L128 HydrophobicContact CG1-CD2 4.05Å; I121-L128 HydrophobicContact CB-CD1 4.23Å; I121-L128 HydrophobicContact CG1-CD1 4.18Å; I121-L128 HydrophobicContact CG2-CD1 4.07Å; H124-L128 PolarHBondContact O-N 3.18Å; H124-L128 VanDerWaalsContact O-N 3.15Å; I125-L128 PolarHBondContact O-N 3.07Å; L128-P130 VanDerWaalsContact C-CD 3.47Å
129L84Confident84Confident3 Ų368.7 Ų68.72%0.01634%0.34CS..  trans-128.664-176.5-159.289.3000112.1A12 L44 F47 I125 V131 V132 M137A12-L129 HydrophobicContact CB-CD1 4.19Å; L44-L129 HydrophobicContact CD1-CD1 4Å; L44-L129 HydrophobicContact CD2-CD1 3.91Å; F47-L129 HydrophobicContact CB-CD1 4.19Å; F47-L129 HydrophobicContact CD1-CD1 4.4Å; F47-L129 HydrophobicContact CD2-CD1 3.51Å; F47-L129 HydrophobicContact CD2-CD2 4.25Å; F47-L129 HydrophobicContact CD2-CG 4.45Å; F47-L129 HydrophobicContact CE1-CD2 4.35Å; F47-L129 HydrophobicContact CE2-CD1 3.91Å; F47-L129 HydrophobicContact CE2-CD2 3.76Å; F47-L129 HydrophobicContact CE2-CG 4.44Å; F47-L129 HydrophobicContact CG-CD1 3.79Å; F47-L129 HydrophobicContact CZ-CD2 3.82Å; I125-L129 HydrophobicContact CD1-CB 4.32Å; I125-L129 WeakPolarHBondContact O-CB 3.41Å; I125-L129 PolarHBondContact O-N 3.08Å; L129-V131 PolarHBondContact O-N 3.45Å; L129-V132 HydrophobicContact CD2-CB 4.35Å; L129-V132 HydrophobicContact CD2-CG2 3.9Å; L129-V132 PolarHBondContact O-N 2.9Å; L129-M137 HydrophobicContact CD2-CE 3.73Å
130P74.6Confident83.9Confident104 Ų10466.5 Ų66.568%0.67534%0.336SS*.THydrogen-bonded Turntrans-67.1-7.7-176.629.2-36.6000113.8L128 V132L128-P130 VanDerWaalsContact C-CD 3.47Å; P130-V132 PolarHBondContact O-N 3.26Å
131V74.5Confident83.8Confident96 Ų9671.2 Ų71.258%0.58235%0.354SS*.THydrogen-bonded Turntrans-67.4-21.2-180-175.70000112.2F47 L129F47-V131 HydrophobicContact CD1-CG1 4.44Å; L129-V131 PolarHBondContact O-N 3.45Å
132V71.1Confident83.8Confident16 Ų1675.8 Ų75.810%0.09738%0.378CS..SBendtrans-120.6117.8-178.6-173.90000108.9A9 F47 L129 P130 D134 H136 M137A9-V132 HydrophobicContact CB-CG1 4.41Å; A9-V132 HydrophobicContact CB-CG2 4.09Å; F47-V132 HydrophobicContact CE1-CG2 4Å; F47-V132 HydrophobicContact CZ-CG2 4.17Å; L129-V132 HydrophobicContact CD2-CB 4.35Å; L129-V132 HydrophobicContact CD2-CG2 3.9Å; L129-V132 PolarHBondContact O-N 2.9Å; P130-V132 PolarHBondContact O-N 3.26Å; V132-D134 PolarHBondContact O-N 3.27Å; V132-H136 HydrophobicContact CG1-CB 4.47Å; V132-M137 HydrophobicContact CB-CE 3.85Å; V132-M137 HydrophobicContact CG1-CB 4.08Å; V132-M137 HydrophobicContact CG1-CE 3.8Å; V132-M137 HydrophobicContact CG2-CE 4.18Å
133E75.9Confident83.8Confident126 Ų12669.5 Ų69.559%0.58936%0.363SS*.  trans-56.7137.2172.9-66.7178-179.100111S135 H136 M137E133-S135 VanDerWaalsContact C-N 3.29Å; E133-S135 PolarHBondContact O-N 3.39Å; E133-H136 HydrophobicContact CB-CB 4.4Å; E133-H136 WeakPolarHBondContact O-CA 3.47Å; E133-H136 WeakPolarHBondContact O-CB 3.44Å; E133-H136 PolarHBondContact O-N 2.98Å; E133-H136 IonicContact OE2-CE1 3.49Å; E133-H136 PolarHBondContact OE2-CE1 3.05Å; E133-H136 IonicContact OE2-ND1 2.83Å; E133-H136 PolarHBondContact OE2-ND1 3.11Å; E133-H136 IonicContact OE2-NE2 3.58Å; E133-M137 PolarHBondContact O-N 2.89Å
134D74.8Confident83.9Confident91 Ų9166.8 Ų66.849%0.48735%0.345SS..Hα-helixtrans-57.3-41.7-176.1-179.433000112.4V132 H136 M137 M138V132-D134 PolarHBondContact O-N 3.27Å; D134-H136 PolarHBondContact O-N 3.22Å; D134-M137 WeakPolarHBondContact O-CB 3.38Å; D134-M137 PolarHBondContact O-N 3.17Å; D134-M137 VanDerWaalsContact O-N 3.09Å; D134-M138 PolarHBondContact O-N 3Å
135S79.2Confident84Confident62 Ų6267.6 Ų67.643%0.43436%0.356SS..Hα-helixtrans-58.9-34.7176.5830000112.9E133 R139E133-S135 VanDerWaalsContact C-N 3.29Å; E133-S135 PolarHBondContact O-N 3.39Å; S135-R139 WeakPolarHBondContact O-CG 3.4Å; S135-R139 PolarHBondContact O-N 3.23Å
136H84.3Confident84.3Confident80 Ų8072.3 Ų72.337%0.3738%0.378SS..Hα-helixtrans-77.2-39.9176-69158.2000111.5V132 E133 D134 M138 R139 M140V132-H136 HydrophobicContact CG1-CB 4.47Å; E133-H136 HydrophobicContact CB-CB 4.4Å; E133-H136 WeakPolarHBondContact O-CA 3.47Å; E133-H136 WeakPolarHBondContact O-CB 3.44Å; E133-H136 PolarHBondContact O-N 2.98Å; E133-H136 IonicContact OE2-CE1 3.49Å; E133-H136 PolarHBondContact OE2-CE1 3.05Å; E133-H136 IonicContact OE2-ND1 2.83Å; E133-H136 PolarHBondContact OE2-ND1 3.11Å; E133-H136 IonicContact OE2-NE2 3.58Å; D134-H136 PolarHBondContact O-N 3.22Å; H136-M138 VanDerWaalsContact C-N 3.35Å; H136-M138 PolarHBondContact O-N 3.41Å; H136-R139 PolarHBondContact O-N 3.17Å; H136-M140 VanDerWaalsContact O-CG 3.3Å; H136-M140 WeakPolarHBondContact O-CG 3.06Å; H136-M140 PolarHBondContact O-N 3.29Å
137M84.5Confident84.6Confident4 Ų469.8 Ų69.82%0.0237%0.366CS..Hα-helixtrans-59-45.5175.9-17564.57500111.3A9 L129 V132 E133 D134 R139 M140 R141A9-M137 HydrophobicContact CB-CE 3.68Å; A9-M137 HydrophobicContact CB-SD 3.82Å; L129-M137 HydrophobicContact CD2-CE 3.73Å; V132-M137 HydrophobicContact CB-CE 3.85Å; V132-M137 HydrophobicContact CG1-CB 4.08Å; V132-M137 HydrophobicContact CG1-CE 3.8Å; V132-M137 HydrophobicContact CG2-CE 4.18Å; E133-M137 PolarHBondContact O-N 2.89Å; D134-M137 WeakPolarHBondContact O-CB 3.38Å; D134-M137 PolarHBondContact O-N 3.17Å; D134-M137 VanDerWaalsContact O-N 3.09Å; M137-R139 PolarHBondContact O-N 3.49Å; M137-M140 PolarHBondContact O-N 2.98Å; M137-R141 WeakPolarHBondContact O-CG 3.2Å; M137-R141 PolarHBondContact O-N 3.22Å
138M86.4Confident84.7Confident122 Ų12266.7 Ų66.760%0.60135%0.349SS*.Hα-helixtrans-61.4-44.1178.1-175.857.2167.500112.1D134 H136 M140 R141 L142D134-M138 PolarHBondContact O-N 3Å; H136-M138 VanDerWaalsContact C-N 3.35Å; H136-M138 PolarHBondContact O-N 3.41Å; M138-M140 PolarHBondContact O-N 3.49Å; M138-R141 PolarHBondContact O-N 3.45Å; M138-L142 PolarHBondContact O-N 3.47Å
139R89Confident84.9Confident178 Ų17870.2 Ų70.267%0.67237%0.368SS*.Hα-helixtrans-63.3-40.5175.1-70.2176.9-171.6177.74.6112.2S135 H136 M137 L142 G143S135-R139 WeakPolarHBondContact O-CG 3.4Å; S135-R139 PolarHBondContact O-N 3.23Å; H136-R139 PolarHBondContact O-N 3.17Å; M137-R139 PolarHBondContact O-N 3.49Å; R139-L142 PolarHBondContact O-N 2.95Å; R139-G143 PolarHBondContact O-N 2.95Å
140M89.1Confident85.1Confident72 Ų7278.2 Ų78.236%0.35540%0.398SS..Hα-helixtrans-63.7-43.2175.7-72.3-178.5-174.600111.6A8 A9 H136 M137 M138 G143 L144A8-M140 HydrophobicContact CB-CB 4.26Å; A9-M140 HydrophobicContact CB-SD 3.8Å; H136-M140 VanDerWaalsContact O-CG 3.3Å; H136-M140 WeakPolarHBondContact O-CG 3.06Å; H136-M140 PolarHBondContact O-N 3.29Å; M137-M140 PolarHBondContact O-N 2.98Å; M138-M140 PolarHBondContact O-N 3.49Å; M140-G143 PolarHBondContact O-N 3.41Å; M140-L144 VanDerWaalsContact O-CB 3.27Å; M140-L144 WeakPolarHBondContact O-CB 3.5Å; M140-L144 PolarHBondContact O-N 3.44Å
141R89.6Confident85.6Confident99 Ų9977.7 Ų77.737%0.37438%0.383SS..Hα-helixtrans-59.8-48.8175.7-73.1174.6-175.11726.2111.4A8 M137 M138 L144 A145A8-R141 HydrophobicContact CB-CB 4.25Å; A8-R141 HydrophobicContact CB-CG 3.67Å; M137-R141 WeakPolarHBondContact O-CG 3.2Å; M137-R141 PolarHBondContact O-N 3.22Å; M138-R141 PolarHBondContact O-N 3.45Å; R141-L144 PolarHBondContact O-N 3.45Å; R141-A145 WeakPolarHBondContact O-CB 3.28Å; R141-A145 PolarHBondContact O-N 3.29Å
142L90.9Very high86Confident96 Ų9677.6 Ų77.650%0.50338%0.375SS..Hα-helixtrans-63.6-45.3179-176.563.5000112M138 R139 L144 A145 H146M138-L142 PolarHBondContact O-N 3.47Å; R139-L142 PolarHBondContact O-N 2.95Å; L142-L144 VanDerWaalsContact C-N 3.35Å; L142-L144 PolarHBondContact O-N 2.99Å; L142-A145 PolarHBondContact O-N 2.83Å; L142-H146 PolarHBondContact O-N 3.1Å
143G90.8Very high86.5Confident28 Ų2882.7 Ų82.729%0.28940%0.401SS..Hα-helixtrans-61.2-42.617700000112.5R139 M140 S147R139-G143 PolarHBondContact O-N 2.95Å; M140-G143 PolarHBondContact O-N 3.41Å; G143-S147 WeakPolarHBondContact O-CB 3.43Å; G143-S147 PolarHBondContact O-N 2.93Å; G143-S147 VanDerWaalsContact O-N 3.07Å; G143-S147 PolarHBondContact O-OG 3.22Å
144L91.5Very high86.6Confident23 Ų2384.3 Ų84.312%0.1241%0.406CS..Hα-helixtrans-63.9-46.9175-17960.3000111.2A8 A56 L57 A60 M140 R141 L142 H146 S147 L148A8-L144 HydrophobicContact CB-CB 4.4Å; A8-L144 HydrophobicContact CB-CD2 3.82Å; A56-L144 HydrophobicContact CB-CD1 4.02Å; L57-L144 HydrophobicContact CB-CD1 4.32Å; A60-L144 HydrophobicContact CB-CD1 4.13Å; A60-L144 HydrophobicContact CB-CD2 4.32Å; M140-L144 VanDerWaalsContact O-CB 3.27Å; M140-L144 WeakPolarHBondContact O-CB 3.5Å; M140-L144 PolarHBondContact O-N 3.44Å; R141-L144 PolarHBondContact O-N 3.45Å; L142-L144 VanDerWaalsContact C-N 3.35Å; L142-L144 PolarHBondContact O-N 2.99Å; L144-H146 PolarHBondContact O-N 2.8Å; L144-S147 WeakPolarHBondContact CA-OG 3.31Å; L144-S147 PolarHBondContact O-N 2.88Å; L144-S147 VanDerWaalsContact O-N 3.13Å; L144-S147 PolarHBondContact O-OG 2.84Å; L144-L148 VanDerWaalsContact O-CB 3.3Å; L144-L148 WeakPolarHBondContact O-CB 3.44Å; L144-L148 PolarHBondContact O-N 3.25Å
145A91.4Very high86.2Confident41 Ų4183.4 Ų83.434%0.33941%0.406SS..Hα-helixtrans-55-52.5178.500000111.7R141 L142 S147 L148 D149R141-A145 WeakPolarHBondContact O-CB 3.28Å; R141-A145 PolarHBondContact O-N 3.29Å; L142-A145 PolarHBondContact O-N 2.83Å; A145-S147 VanDerWaalsContact C-N 3.31Å; A145-S147 PolarHBondContact O-N 3.12Å; A145-L148 PolarHBondContact O-N 3.46Å; A145-D149 VanDerWaalsContact O-CG 3.3Å; A145-D149 PolarHBondContact O-N 3.31Å
146H92.9Very high85.7Confident101 Ų10183.6 Ų83.647%0.46840%0.402SS..Hα-helixtrans-59.4-40.5176.4-69.4164.5000113L142 L144 R150L142-H146 PolarHBondContact O-N 3.1Å; L144-H146 PolarHBondContact O-N 2.8Å; H146-R150 WeakPolarHBondContact O-CB 3.45Å; H146-R150 VanDerWaalsContact O-CG 3.24Å; H146-R150 WeakPolarHBondContact O-CG 3.28Å; H146-R150 PolarHBondContact O-N 3.33Å; H146-R150 VanDerWaalsContact O-N 3.08Å
147S90.5Very high84.7Confident24 Ų2484.3 Ų84.317%0.16841%0.414CS..Hα-helixtrans-68.3-37.9179.773.70000112.2G143 L144 A145 Y151G143-S147 WeakPolarHBondContact O-CB 3.43Å; G143-S147 PolarHBondContact O-N 2.93Å; G143-S147 VanDerWaalsContact O-N 3.07Å; G143-S147 PolarHBondContact O-OG 3.22Å; L144-S147 WeakPolarHBondContact CA-OG 3.31Å; L144-S147 PolarHBondContact O-N 2.88Å; L144-S147 VanDerWaalsContact O-N 3.13Å; L144-S147 PolarHBondContact O-OG 2.84Å; A145-S147 VanDerWaalsContact C-N 3.31Å; A145-S147 PolarHBondContact O-N 3.12Å; S147-Y151 WeakPolarHBondContact O-CB 3.4Å; S147-Y151 PolarHBondContact O-N 2.93Å
148L89Confident83.9Confident27 Ų2786.7 Ų86.714%0.14143%0.427CS..Hα-helixtrans-70.3-42.5179-173.265.6000111.1L57 A60 M64 L144 A145 R150 Y151 K152L57-L148 HydrophobicContact CD1-CB 4.09Å; L57-L148 HydrophobicContact CD1-CD1 3.89Å; A60-L148 HydrophobicContact CB-CD1 4.44Å; M64-L148 HydrophobicContact SD-CD1 4.08Å; M64-L148 HydrophobicContact SD-CD2 3.91Å; M64-L148 HydrophobicContact SD-CG 4.3Å; L144-L148 VanDerWaalsContact O-CB 3.3Å; L144-L148 WeakPolarHBondContact O-CB 3.44Å; L144-L148 PolarHBondContact O-N 3.25Å; A145-L148 PolarHBondContact O-N 3.46Å; L148-R150 PolarHBondContact O-N 2.93Å; L148-Y151 WeakPolarHBondContact O-CB 3.28Å; L148-Y151 PolarHBondContact O-N 3.25Å; L148-K152 WeakPolarHBondContact O-CG 3.3Å; L148-K152 PolarHBondContact O-N 3.41Å
149D89.2Confident83Confident81 Ų8185.8 Ų85.843%0.43342%0.42SS..Hα-helixtrans-63.6-42.5175.8-68.3-23.1000111.3A145 Y151 K152 L153A145-D149 VanDerWaalsContact O-CG 3.3Å; A145-D149 PolarHBondContact O-N 3.31Å; D149-Y151 VanDerWaalsContact C-N 3.33Å; D149-Y151 PolarHBondContact O-N 3.04Å; D149-K152 PolarHBondContact O-N 2.98Å; D149-L153 WeakPolarHBondContact O-CB 3.48Å; D149-L153 VanDerWaalsContact O-CG 3.28Å; D149-L153 WeakPolarHBondContact O-CG 3.08Å; D149-L153 PolarHBondContact O-N 3.07Å
150R88.3Confident82.4Confident172 Ų17281.5 Ų81.565%0.64941%0.409SS*.Hα-helixtrans-62.3-40.2173.3-73.8175.4-176.2-170.11.8112.2H146 L148 L153 K154H146-R150 WeakPolarHBondContact O-CB 3.45Å; H146-R150 VanDerWaalsContact O-CG 3.24Å; H146-R150 WeakPolarHBondContact O-CG 3.28Å; H146-R150 PolarHBondContact O-N 3.33Å; H146-R150 VanDerWaalsContact O-N 3.08Å; L148-R150 PolarHBondContact O-N 2.93Å; R150-L153 PolarHBondContact O-N 3.4Å; R150-K154 WeakPolarHBondContact O-CB 3.47Å; R150-K154 VanDerWaalsContact O-CG 3.29Å; R150-K154 WeakPolarHBondContact O-CG 3.33Å; R150-K154 PolarHBondContact O-N 3.06Å
151Y85.4Confident82.1Confident93 Ų9378.4 Ų78.437%0.36539%0.394SS..Hα-helixtrans-62.5-49.3176.5178.3-99.4000111S61 S147 L148 D149 L153 K154 C155S61-Y151 WeakPolarHBondContact OG-CD1 3.32Å; S61-Y151 WeakPolarHBondContact OG-CE1 3.42Å; S147-Y151 WeakPolarHBondContact O-CB 3.4Å; S147-Y151 PolarHBondContact O-N 2.93Å; L148-Y151 WeakPolarHBondContact O-CB 3.28Å; L148-Y151 PolarHBondContact O-N 3.25Å; D149-Y151 VanDerWaalsContact C-N 3.33Å; D149-Y151 PolarHBondContact O-N 3.04Å; Y151-L153 VanDerWaalsContact C-N 3.31Å; Y151-L153 PolarHBondContact O-N 3.42Å; Y151-K154 PolarHBondContact O-N 3.36Å; Y151-K154 VanDerWaalsContact O-N 3.14Å; Y151-C155 HydrophobicContact CE1-CB 4.48Å; Y151-C155 HydrophobicContact CE2-CB 4.38Å; Y151-C155 VanDerWaalsContact CE2-SG 3.54Å; Y151-C155 WeakPolarHBondContact O-CB 3.34Å; Y151-C155 PolarHBondContact O-N 3.48Å
152K81.5Confident82.1Confident93 Ų9376.1 Ų76.140%0.40439%0.391SS..Hα-helixtrans-57.3-42.9176-72.4173.9-179.5176.20112.7M64 L148 D149M64-K152 WeakPolarHBondContact SD-CE 3.24Å; M64-K152 PolarHBondContact SD-NZ 3.01Å; M64-K152 VanDerWaalsContact SD-NZ 3.39Å; L148-K152 WeakPolarHBondContact O-CG 3.3Å; L148-K152 PolarHBondContact O-N 3.41Å; D149-K152 PolarHBondContact O-N 2.98Å
153L81.6Confident82Confident123 Ų12376 Ų7664%0.64439%0.389SS*.Hα-helixtrans-69.5-34.3178.3-71.8172.2000112.4D149 R150 Y151 K159D149-L153 WeakPolarHBondContact O-CB 3.48Å; D149-L153 VanDerWaalsContact O-CG 3.28Å; D149-L153 WeakPolarHBondContact O-CG 3.08Å; D149-L153 PolarHBondContact O-N 3.07Å; R150-L153 PolarHBondContact O-N 3.4Å; Y151-L153 VanDerWaalsContact C-N 3.31Å; Y151-L153 PolarHBondContact O-N 3.42Å; L153-K159 WeakPolarHBondContact O-CE 3.48Å; L153-K159 PolarHBondContact O-NZ 3.36Å
154K79.2Confident82.1Confident161 Ų16174.7 Ų74.770%0.738%0.376SS*.Hα-helixtrans-75.6-46178.7-77.1-179.8179.2-171.70112.1R150 Y151 N156R150-K154 WeakPolarHBondContact O-CB 3.47Å; R150-K154 VanDerWaalsContact O-CG 3.29Å; R150-K154 WeakPolarHBondContact O-CG 3.33Å; R150-K154 PolarHBondContact O-N 3.06Å; Y151-K154 PolarHBondContact O-N 3.36Å; Y151-K154 VanDerWaalsContact O-N 3.14Å; K154-N156 VanDerWaalsContact C-N 3.34Å; K154-N156 PolarHBondContact O-N 3.29Å
155C66.4Low82.2Confident72 Ų7274.9 Ų74.949%0.48638%0.378SS..  trans-93.830.1-171.9-65.40000113.3Y151 P157Y151-C155 HydrophobicContact CE1-CB 4.48Å; Y151-C155 HydrophobicContact CE2-CB 4.38Å; Y151-C155 VanDerWaalsContact CE2-SG 3.54Å; Y151-C155 WeakPolarHBondContact O-CB 3.34Å; Y151-C155 PolarHBondContact O-N 3.48Å; C155-P157 WeakPolarHBondContact O-CD 3.47Å
156N68.8Low82.3Confident65 Ų6578.8 Ų78.835%0.34839%0.389SS..  trans-73.7111.5173.3-171-5.7000109.2K154 D158 K159K154-N156 VanDerWaalsContact C-N 3.34Å; K154-N156 PolarHBondContact O-N 3.29Å; N156-D158 PolarHBondContact O-N 3.06Å; N156-D158 VanDerWaalsContact OD1-CB 3.25Å; N156-D158 WeakPolarHBondContact OD1-CB 3.33Å; N156-D158 VanDerWaalsContact OD1-CG 3.3Å; N156-D158 PolarHBondContact OD1-N 3.47Å; N156-D158 PolarHBondContact OD1-OD2 3.25Å; N156-K159 HydrophobicContact CB-CG 4.21Å; N156-K159 WeakPolarHBondContact O-CB 3.33Å; N156-K159 PolarHBondContact O-N 2.91Å; N156-K159 VanDerWaalsContact O-N 3.09Å
157P63.2Low82.3Confident96 Ų9674.3 Ų74.362%0.62337%0.369SS*.THydrogen-bonded Turntrans-59.9-26.8177.626.2-35.2000112.2C155 K159 I160C155-P157 WeakPolarHBondContact O-CD 3.47Å; P157-K159 PolarHBondContact O-N 3.41Å; P157-I160 PolarHBondContact O-N 3.08Å
158D67Low82.5Confident54 Ų5473.4 Ų73.429%0.28936%0.363SS..Hα-helixtrans-65.7-1175.8-54.5-24.6000113.5N156 D161 T162N156-D158 PolarHBondContact O-N 3.06Å; N156-D158 VanDerWaalsContact OD1-CB 3.25Å; N156-D158 WeakPolarHBondContact OD1-CB 3.33Å; N156-D158 VanDerWaalsContact OD1-CG 3.3Å; N156-D158 PolarHBondContact OD1-N 3.47Å; N156-D158 PolarHBondContact OD1-OD2 3.25Å; D158-D161 WeakPolarHBondContact CA-OD1 3.31Å; D158-T162 WeakPolarHBondContact O-CB 3.5Å; D158-T162 PolarHBondContact O-OG1 2.83Å
159K68.5Low82.7Confident103 Ų10373.5 Ų73.545%0.44837%0.37SS..Hα-helixtrans-79.5-30.7173-73.3-175.8179-172.70112.4L153 N156 P157 M163L153-K159 WeakPolarHBondContact O-CE 3.48Å; L153-K159 PolarHBondContact O-NZ 3.36Å; N156-K159 HydrophobicContact CB-CG 4.21Å; N156-K159 WeakPolarHBondContact O-CB 3.33Å; N156-K159 PolarHBondContact O-N 2.91Å; N156-K159 VanDerWaalsContact O-N 3.09Å; P157-K159 PolarHBondContact O-N 3.41Å; K159-M163 PolarHBondContact O-N 3.48Å
160I75.1Confident83Confident88 Ų8873.4 Ų73.445%0.45137%0.369SS..Hα-helixtrans-72-42-172.3-54178.7000110.1P157 M163 V283P157-I160 PolarHBondContact O-N 3.08Å; I160-M163 PolarHBondContact O-N 2.95Å; I160-V283 HydrophobicContact CG2-CG2 3.5Å
161D84.2Confident83.3Confident7 Ų765.3 Ų65.34%0.03734%0.339CS..Hα-helixtrans-75.5-29.917661.6-18.2000112.7D158 M163 I164 V165 V283 T305 L306D158-D161 WeakPolarHBondContact CA-OD1 3.31Å; D161-M163 PolarHBondContact O-N 3.5Å; D161-I164 WeakPolarHBondContact O-CA 3.33Å; D161-I164 VanDerWaalsContact O-CB 3.32Å; D161-I164 WeakPolarHBondContact O-CB 3.45Å; D161-I164 PolarHBondContact O-N 3.39Å; D161-V165 PolarHBondContact O-N 2.65Å; D161-V165 VanDerWaalsContact O-N 3.1Å; D161-V283 HydrophobicContact CB-CG1 4.37Å; D161-T305 WeakPolarHBondContact OD2-CA 3.16Å; D161-T305 WeakPolarHBondContact OD2-CB 3.47Å; D161-L306 HydrophobicContact CB-CB 4.04Å; D161-L306 PolarHBondContact OD2-N 3.48Å
162T87.8Confident83.7Confident51 Ų5164.1 Ų64.131%0.31334%0.339SS..Hα-helixtrans-54.2-37.8170.5-64.80000111.5D158 I164 V165 Q166D158-T162 WeakPolarHBondContact O-CB 3.5Å; D158-T162 PolarHBondContact O-OG1 2.83Å; T162-I164 VanDerWaalsContact C-N 3.31Å; T162-I164 PolarHBondContact O-N 3.14Å; T162-V165 PolarHBondContact O-N 3.36Å; T162-Q166 HydrophobicContact CG2-CG 4.45Å; T162-Q166 WeakPolarHBondContact O-CG 3.44Å; T162-Q166 PolarHBondContact O-N 2.93Å
163M90.6Very high84.4Confident93 Ų9364.9 Ų64.946%0.45834%0.344SS..Hα-helixtrans-65.2-32.1175.9-64.3-66.7114.300113K159 I160 D161 A167K159-M163 PolarHBondContact O-N 3.48Å; I160-M163 PolarHBondContact O-N 2.95Å; D161-M163 PolarHBondContact O-N 3.5Å; M163-A167 VanDerWaalsContact O-CB 3.26Å; M163-A167 WeakPolarHBondContact O-CB 3.4Å; M163-A167 PolarHBondContact O-N 2.85Å
164I92.2Very high85.1Confident1 Ų160 Ų601%0.00532%0.318CS..Hα-helixtrans-67.2-43.5174.4-61.9178.2000109.4D161 T162 Q166 A167 V168 L276 R279 M280 V283 A297D161-I164 WeakPolarHBondContact O-CA 3.33Å; D161-I164 VanDerWaalsContact O-CB 3.32Å; D161-I164 WeakPolarHBondContact O-CB 3.45Å; D161-I164 PolarHBondContact O-N 3.39Å; T162-I164 VanDerWaalsContact C-N 3.31Å; T162-I164 PolarHBondContact O-N 3.14Å; I164-Q166 PolarHBondContact O-N 3.18Å; I164-A167 PolarHBondContact O-N 3.27Å; I164-V168 VanDerWaalsContact O-CG2 3.31Å; I164-V168 WeakPolarHBondContact O-CG2 3.43Å; I164-V168 PolarHBondContact O-N 3.45Å; I164-L276 HydrophobicContact CG2-CD1 3.85Å; I164-R279 HydrophobicContact CG1-CB 4.33Å; I164-M280 HydrophobicContact CD1-SD 4.22Å; I164-M280 HydrophobicContact CG2-SD 4.44Å; I164-V283 HydrophobicContact CD1-CB 3.79Å; I164-V283 HydrophobicContact CD1-CG1 3.91Å; I164-V283 HydrophobicContact CD1-CG2 3.92Å; I164-A297 HydrophobicContact CG2-CB 3.79Å
165V92.6Very high85.8Confident27 Ų2755.2 Ų55.216%0.16430%0.3CS..Hα-helixtrans-61.2-45.5177.7177.70000111.4D161 T162 V168 G169 I300 A301 G304D161-V165 PolarHBondContact O-N 2.65Å; D161-V165 VanDerWaalsContact O-N 3.1Å; T162-V165 PolarHBondContact O-N 3.36Å; V165-V168 PolarHBondContact O-N 3.47Å; V165-G169 PolarHBondContact O-N 3.03Å; V165-G169 VanDerWaalsContact O-N 3.11Å; V165-I300 HydrophobicContact CG2-CG2 3.9Å; V165-A301 HydrophobicContact CB-CB 4.43Å; V165-A301 HydrophobicContact CG1-CB 4.1Å; V165-A301 HydrophobicContact CG2-CB 4.35Å; V165-G304 VanDerWaalsContact CG2-O 3.31Å; V165-G304 WeakPolarHBondContact CG2-O 3.41Å
166Q93.3Very high87.2Confident123 Ų12358.1 Ų58.158%0.57531%0.305SS*.Hα-helixtrans-64.7-41176-64.1-55.6-41.500112.2T162 I164 V168 G169 L170T162-Q166 HydrophobicContact CG2-CG 4.45Å; T162-Q166 WeakPolarHBondContact O-CG 3.44Å; T162-Q166 PolarHBondContact O-N 2.93Å; I164-Q166 PolarHBondContact O-N 3.18Å; Q166-V168 PolarHBondContact O-N 2.99Å; Q166-G169 PolarHBondContact O-N 3.09Å; Q166-L170 WeakPolarHBondContact O-CB 3.2Å; Q166-L170 PolarHBondContact O-N 2.65Å
167A93.9Very high88.4Confident6 Ų659.2 Ų59.25%0.0531%0.308CS..Hα-helixtrans-63.7-38.5178.400000112.8M163 I164 M171 L272 Y275 L276M163-A167 VanDerWaalsContact O-CB 3.26Å; M163-A167 WeakPolarHBondContact O-CB 3.4Å; M163-A167 PolarHBondContact O-N 2.85Å; I164-A167 PolarHBondContact O-N 3.27Å; A167-M171 WeakPolarHBondContact O-CB 3.47Å; A167-M171 PolarHBondContact O-N 2.97Å; A167-L272 HydrophobicContact CB-CD1 3.94Å; A167-Y275 HydrophobicContact CB-CD1 4.31Å; A167-Y275 HydrophobicContact CB-CE1 4.11Å; A167-L276 HydrophobicContact CB-CD1 4.07Å
168V94Very high90Very high5 Ų555.4 Ų55.43%0.0328%0.282CS..Hα-helixtrans-66.6-43.5174.8174.30000110.8I164 V165 Q166 M171 D172 L276 A297 R298 A301I164-V168 VanDerWaalsContact O-CG2 3.31Å; I164-V168 WeakPolarHBondContact O-CG2 3.43Å; I164-V168 PolarHBondContact O-N 3.45Å; V165-V168 PolarHBondContact O-N 3.47Å; Q166-V168 PolarHBondContact O-N 2.99Å; V168-M171 WeakPolarHBondContact O-CB 3.36Å; V168-M171 PolarHBondContact O-N 2.99Å; V168-D172 PolarHBondContact O-N 3.3Å; V168-L276 HydrophobicContact CG2-CD1 4.05Å; V168-L276 HydrophobicContact CG2-CD2 4.19Å; V168-A297 HydrophobicContact CG2-CB 3.51Å; V168-R298 HydrophobicContact CG1-CG 3.9Å; V168-A301 HydrophobicContact CB-CB 4.13Å; V168-A301 HydrophobicContact CG1-CB 4.05Å; V168-A301 HydrophobicContact CG2-CB 4.48Å
169G94.4Very high91.3Very high29 Ų2956.2 Ų56.230%0.29929%0.286SS..Hα-helixtrans-58.6-47.8175.800000112.1V165 Q166 M171 D172 E173V165-G169 PolarHBondContact O-N 3.03Å; V165-G169 VanDerWaalsContact O-N 3.11Å; Q166-G169 PolarHBondContact O-N 3.09Å; G169-M171 VanDerWaalsContact C-N 3.31Å; G169-M171 PolarHBondContact O-N 3.08Å; G169-D172 PolarHBondContact O-N 3.5Å; G169-E173 WeakPolarHBondContact O-CG 3.11Å; G169-E173 PolarHBondContact O-N 3.36Å
170L95.6Very high92.7Very high80 Ų8056.2 Ų56.242%0.41929%0.291SS..Hα-helixtrans-62.3-36.7176.4-179.162000112.3Q166 E173 L174 L272Q166-L170 WeakPolarHBondContact O-CB 3.2Å; Q166-L170 PolarHBondContact O-N 2.65Å; L170-E173 PolarHBondContact O-N 3.21Å; L170-L174 HydrophobicContact CD1-CG 4.33Å; L170-L174 HydrophobicContact CG-CD1 4.25Å; L170-L174 HydrophobicContact CG-CG 4.43Å; L170-L174 WeakPolarHBondContact O-CB 3.33Å; L170-L174 WeakPolarHBondContact O-CG 3.25Å; L170-L174 PolarHBondContact O-N 3.08Å; L170-L272 HydrophobicContact CB-CD2 3.98Å; L170-L272 HydrophobicContact CD2-CD1 4.3Å; L170-L272 HydrophobicContact CD2-CD2 3.85Å; L170-L272 HydrophobicContact CG-CD2 3.74Å
171M94.6Very high93.6Very high2 Ų256.2 Ų56.21%0.0129%0.286CS..Hα-helixtrans-64.1-42.9176-170.9-179-55.900111.9A167 V168 G169 E173 L174 D175 L272 H273 L276 L294A167-M171 WeakPolarHBondContact O-CB 3.47Å; A167-M171 PolarHBondContact O-N 2.97Å; V168-M171 WeakPolarHBondContact O-CB 3.36Å; V168-M171 PolarHBondContact O-N 2.99Å; G169-M171 VanDerWaalsContact C-N 3.31Å; G169-M171 PolarHBondContact O-N 3.08Å; M171-E173 VanDerWaalsContact C-N 3.3Å; M171-E173 PolarHBondContact O-N 3.36Å; M171-L174 PolarHBondContact O-N 3.28Å; M171-D175 PolarHBondContact O-N 3.46Å; M171-L272 HydrophobicContact CB-CD2 3.96Å; M171-L272 HydrophobicContact CE-CG 4.43Å; M171-H273 HydrophobicContact CE-CB 4.29Å; M171-L276 HydrophobicContact CE-CB 4.28Å; M171-L276 HydrophobicContact CE-CD2 3.56Å; M171-L294 HydrophobicContact CE-CD1 4.39Å; M171-L294 HydrophobicContact SD-CD1 3.68Å
172D94.1Very high94.1Very high68 Ų6856 Ų5636%0.36429%0.285SS..Hα-helixtrans-68-30176.9-71.1-16.8000112.1V168 G169 K176V168-D172 PolarHBondContact O-N 3.3Å; G169-D172 PolarHBondContact O-N 3.5Å; D172-K176 WeakPolarHBondContact O-CG 3.4Å
173E95.7Very high94.5Very high109 Ų10957.6 Ų57.651%0.50929%0.29SS..Hα-helixtrans-71.6-49.5173.2-73.7170.6-174.700111.2G169 L170 M171 D175 K176 E177G169-E173 WeakPolarHBondContact O-CG 3.11Å; G169-E173 PolarHBondContact O-N 3.36Å; L170-E173 PolarHBondContact O-N 3.21Å; M171-E173 VanDerWaalsContact C-N 3.3Å; M171-E173 PolarHBondContact O-N 3.36Å; E173-D175 VanDerWaalsContact C-N 3.32Å; E173-D175 PolarHBondContact O-N 2.86Å; E173-K176 WeakPolarHBondContact O-CB 3.3Å; E173-K176 PolarHBondContact O-N 3.14Å; E173-E177 WeakPolarHBondContact O-CG 3.39Å; E173-E177 PolarHBondContact O-N 3.02Å
174L95.6Very high94.7Very high19 Ų1960 Ų6010%0.09929%0.294CS..Hα-helixtrans-57.4-43.5176.3-75.6174.6000111.9L170 M171 K176 E177 I178 R269 L272L170-L174 HydrophobicContact CD1-CG 4.33Å; L170-L174 HydrophobicContact CG-CD1 4.25Å; L170-L174 HydrophobicContact CG-CG 4.43Å; L170-L174 WeakPolarHBondContact O-CB 3.33Å; L170-L174 WeakPolarHBondContact O-CG 3.25Å; L170-L174 PolarHBondContact O-N 3.08Å; M171-L174 PolarHBondContact O-N 3.28Å; L174-K176 PolarHBondContact O-N 3.45Å; L174-E177 PolarHBondContact O-N 2.96Å; L174-I178 HydrophobicContact CB-CD1 4.47Å; L174-I178 VanDerWaalsContact O-CB 3.28Å; L174-I178 WeakPolarHBondContact O-CB 3.38Å; L174-I178 WeakPolarHBondContact O-CD1 3.27Å; L174-I178 WeakPolarHBondContact O-CG1 3.3Å; L174-I178 PolarHBondContact O-N 3.12Å; L174-R269 HydrophobicContact CB-CB 4.38Å; L174-R269 HydrophobicContact CB-CG 4.37Å; L174-R269 HydrophobicContact CD1-CB 4.06Å; L174-L272 HydrophobicContact CD1-CD2 3.93Å
175D94.5Very high94.8Very high61 Ų6160 Ų6033%0.32629%0.294SS..Hα-helixtrans-60.4-34.8178-79.5-13.8000111.8M171 E173 N179 R269M171-D175 PolarHBondContact O-N 3.46Å; E173-D175 VanDerWaalsContact C-N 3.32Å; E173-D175 PolarHBondContact O-N 2.86Å; D175-N179 WeakPolarHBondContact O-CB 3.25Å; D175-N179 PolarHBondContact O-N 3.35Å; D175-R269 IonicContact OD1-CZ 3.83Å; D175-R269 IonicContact OD1-NE 4Å; D175-R269 PolarHBondContact OD1-NE 3.1Å; D175-R269 IonicContact OD1-NH2 3.61Å; D175-R269 PolarHBondContact OD1-NH2 3.1Å; D175-R269 IonicContact OD2-NE 3.96Å; D175-R269 IonicContact OD2-NH2 2.57Å; D175-R269 PolarHBondContact OD2-NH2 3.06Å
176K95.8Very high94.9Very high134 Ų13460.4 Ų60.458%0.58329%0.293SS*.Hα-helixtrans-74.7-44.1175.2-68.4168.5-170.7161.80112.2D172 E173 L174 N179 N180D172-K176 WeakPolarHBondContact O-CG 3.4Å; E173-K176 WeakPolarHBondContact O-CB 3.3Å; E173-K176 PolarHBondContact O-N 3.14Å; L174-K176 PolarHBondContact O-N 3.45Å; K176-N179 PolarHBondContact O-N 3.03Å; K176-N180 WeakPolarHBondContact O-CB 3.45Å; K176-N180 PolarHBondContact O-N 2.86Å; K176-N180 PolarHBondContact O-ND2 3.39Å
177E94.5Very high94.9Very high88 Ų8859.6 Ų59.641%0.41129%0.29SS..Hα-helixtrans-63.6-47.4179.9-72.9-178.4166.500111.4E173 L174 N179 N180 Y181E173-E177 WeakPolarHBondContact O-CG 3.39Å; E173-E177 PolarHBondContact O-N 3.02Å; L174-E177 PolarHBondContact O-N 2.96Å; E177-N179 VanDerWaalsContact C-N 3.28Å; E177-N179 PolarHBondContact O-N 3.45Å; E177-N180 PolarHBondContact O-N 3.49Å; E177-N180 VanDerWaalsContact O-N 3.11Å; E177-Y181 PolarHBondContact O-N 2.78Å
178I96Very high94.7Very high16 Ų1661.7 Ų61.78%0.08230%0.299CS..Hα-helixtrans-53.9-48.3173.6-69.7165.6000109.8L174 N180 Y181 I182 A265 R269L174-I178 HydrophobicContact CB-CD1 4.47Å; L174-I178 VanDerWaalsContact O-CB 3.28Å; L174-I178 WeakPolarHBondContact O-CB 3.38Å; L174-I178 WeakPolarHBondContact O-CD1 3.27Å; L174-I178 WeakPolarHBondContact O-CG1 3.3Å; L174-I178 PolarHBondContact O-N 3.12Å; I178-N180 PolarHBondContact O-N 3.3Å; I178-Y181 PolarHBondContact O-N 2.97Å; I178-I182 HydrophobicContact CG2-CD1 3.57Å; I178-I182 HydrophobicContact CG2-CG1 4.39Å; I178-I182 WeakPolarHBondContact O-CB 3.36Å; I178-I182 WeakPolarHBondContact O-CG1 3.42Å; I178-I182 PolarHBondContact O-N 3.39Å; I178-A265 HydrophobicContact CD1-CB 4.3Å; I178-A265 HydrophobicContact CG1-CB 3.72Å; I178-R269 HydrophobicContact CD1-CB 4.01Å; I178-R269 HydrophobicContact CD1-CG 4.26Å
179N95.2Very high94.7Very high71 Ų7161.6 Ų61.638%0.3830%0.298SS..Hα-helixtrans-62.5-44178.4-17579.4000112.2D175 K176 E177 I182 M183D175-N179 WeakPolarHBondContact O-CB 3.25Å; D175-N179 PolarHBondContact O-N 3.35Å; K176-N179 PolarHBondContact O-N 3.03Å; E177-N179 VanDerWaalsContact C-N 3.28Å; E177-N179 PolarHBondContact O-N 3.45Å; N179-I182 PolarHBondContact O-N 2.79Å; N179-M183 VanDerWaalsContact O-CG 3.28Å; N179-M183 WeakPolarHBondContact O-CG 3.49Å; N179-M183 PolarHBondContact O-N 3.11Å
180N96Very high94.6Very high102 Ų10261.1 Ų61.155%0.54529%0.293SS..Hα-helixtrans-62.5-44.1179.1-70.6-20.1000112.3K176 E177 I178 M183 R184K176-N180 WeakPolarHBondContact O-CB 3.45Å; K176-N180 PolarHBondContact O-N 2.86Å; K176-N180 PolarHBondContact O-ND2 3.39Å; E177-N180 PolarHBondContact O-N 3.49Å; E177-N180 VanDerWaalsContact O-N 3.11Å; I178-N180 PolarHBondContact O-N 3.3Å; N180-M183 PolarHBondContact O-N 2.93Å; N180-R184 WeakPolarHBondContact O-CB 3.5Å; N180-R184 PolarHBondContact O-N 3.49Å
181Y95.4Very high94.3Very high88 Ų8866.3 Ų66.335%0.34531%0.307SS..Hα-helixtrans-66.4-39.4176.9-67.4-25.4000112.2E177 I178 R184 A185 L258 V262E177-Y181 PolarHBondContact O-N 2.78Å; I178-Y181 PolarHBondContact O-N 2.97Å; Y181-R184 PolarHBondContact O-N 3.48Å; Y181-A185 WeakPolarHBondContact O-CB 3.39Å; Y181-A185 PolarHBondContact O-N 3.2Å; Y181-L258 HydrophobicContact CD1-CD1 4.17Å; Y181-L258 HydrophobicContact CG-CD1 4.21Å; Y181-V262 VanDerWaalsContact CB-CG2 3.45Å; Y181-V262 HydrophobicContact CG-CG2 4.48Å
182I95.3Very high94.1Very high3 Ų366.7 Ų66.72%0.01531%0.309CS..Hα-helixtrans-64.5-43.3175.1-68.3170.7000111.2I178 N179 R184 A185 K186 N203 V204 V207 V262I178-I182 HydrophobicContact CG2-CD1 3.57Å; I178-I182 HydrophobicContact CG2-CG1 4.39Å; I178-I182 WeakPolarHBondContact O-CB 3.36Å; I178-I182 WeakPolarHBondContact O-CG1 3.42Å; I178-I182 PolarHBondContact O-N 3.39Å; N179-I182 PolarHBondContact O-N 2.79Å; I182-R184 VanDerWaalsContact C-N 3.3Å; I182-R184 PolarHBondContact O-N 3.48Å; I182-A185 PolarHBondContact O-N 3.34Å; I182-K186 HydrophobicContact CG2-CD 4.28Å; I182-K186 HydrophobicContact CG2-CG 4.49Å; I182-K186 WeakPolarHBondContact O-CB 3.48Å; I182-K186 WeakPolarHBondContact O-CG 3.48Å; I182-K186 PolarHBondContact O-N 2.88Å; I182-N203 HydrophobicContact CD1-CB 3.83Å; I182-N203 HydrophobicContact CG2-CB 3.84Å; I182-V204 HydrophobicContact CD1-CG2 4.47Å; I182-V207 HydrophobicContact CG1-CG2 3.93Å; I182-V207 HydrophobicContact CG2-CG2 4.39Å; I182-V262 HydrophobicContact CD1-CG1 3.85Å; I182-V262 HydrophobicContact CG1-CG1 3.58Å; I182-V262 HydrophobicContact CG1-CG2 4.05Å
183M95.2Very high93.9Very high84 Ų8463.5 Ų63.541%0.41429%0.292SS..Hα-helixtrans-62.1-40.6176.3-69.1-51.9-59.800111.2N179 N180 K186 E187N179-M183 VanDerWaalsContact O-CG 3.28Å; N179-M183 WeakPolarHBondContact O-CG 3.49Å; N179-M183 PolarHBondContact O-N 3.11Å; N180-M183 PolarHBondContact O-N 2.93Å; M183-K186 PolarHBondContact O-N 3.15Å; M183-E187 WeakPolarHBondContact O-CG 3.47Å; M183-E187 PolarHBondContact O-N 3.5Å
184R95.4Very high93.6Very high145 Ų14560.5 Ų60.555%0.54728%0.282SS..Hα-helixtrans-63.8-43.9174.7-173.259.358.81501.8112.4N180 Y181 I182 K186 E187 M188 L258N180-R184 WeakPolarHBondContact O-CB 3.5Å; N180-R184 PolarHBondContact O-N 3.49Å; Y181-R184 PolarHBondContact O-N 3.48Å; I182-R184 VanDerWaalsContact C-N 3.3Å; I182-R184 PolarHBondContact O-N 3.48Å; R184-K186 VanDerWaalsContact C-N 3.34Å; R184-K186 PolarHBondContact O-N 2.89Å; R184-E187 PolarHBondContact O-N 3.42Å; R184-M188 HydrophobicContact CG-SD 3.96Å; R184-M188 WeakPolarHBondContact O-CG 3.44Å; R184-M188 PolarHBondContact O-N 3.48Å; R184-L258 HydrophobicContact CB-CD2 4.19Å; R184-L258 HydrophobicContact CG-CD2 3.98Å
185A93.9Very high93.4Very high1 Ų162 Ų621%0.00829%0.289CS..Hα-helixtrans-62.8-40.9176.500000111.6Y181 I182 M188 Y189 L258Y181-A185 WeakPolarHBondContact O-CB 3.39Å; Y181-A185 PolarHBondContact O-N 3.2Å; I182-A185 PolarHBondContact O-N 3.34Å; A185-M188 PolarHBondContact O-N 3.2Å; A185-Y189 VanDerWaalsContact O-CB 3.25Å; A185-Y189 WeakPolarHBondContact O-CB 3.49Å; A185-Y189 PolarHBondContact O-N 3.44Å; A185-L258 HydrophobicContact CB-CD2 3.85Å; A185-L258 HydrophobicContact CB-CG 4.33Å
186K93.7Very high93.2Very high34 Ų3459.1 Ų59.115%0.14827%0.273CS..Hα-helixtrans-62.4-40174-81-177.4170.2-171.90112.6I182 M183 R184 G190 N203 Y206I182-K186 HydrophobicContact CG2-CD 4.28Å; I182-K186 HydrophobicContact CG2-CG 4.49Å; I182-K186 WeakPolarHBondContact O-CB 3.48Å; I182-K186 WeakPolarHBondContact O-CG 3.48Å; I182-K186 PolarHBondContact O-N 2.88Å; M183-K186 PolarHBondContact O-N 3.15Å; R184-K186 VanDerWaalsContact C-N 3.34Å; R184-K186 PolarHBondContact O-N 2.89Å; K186-G190 WeakPolarHBondContact O-CA 3.25Å; K186-G190 PolarHBondContact O-N 3.48Å; K186-N203 WeakPolarHBondContact CE-OD1 3.42Å; K186-N203 PolarHBondContact NZ-OD1 2.94Å; K186-Y206 HydrophobicContact CB-CE1 4.25Å; K186-Y206 HydrophobicContact CD-CD1 4.44Å; K186-Y206 HydrophobicContact CD-CE1 4.43Å; K186-Y206 HydrophobicContact CG-CD1 3.72Å; K186-Y206 HydrophobicContact CG-CE1 3.33Å; K186-Y206 HydrophobicContact CG-CE2 4.26Å; K186-Y206 HydrophobicContact CG-CG 4.35Å
187E93.1Very high92.9Very high107 Ų10755 Ų5550%0.526%0.261SS..Hα-helixtrans-67.1-47.5176.5-75.3172.7-174.800111.5M183 R184 G190M183-E187 WeakPolarHBondContact O-CG 3.47Å; M183-E187 PolarHBondContact O-N 3.5Å; R184-E187 PolarHBondContact O-N 3.42Å; E187-G190 PolarHBondContact O-N 2.65Å
188M91.8Very high92.7Very high50 Ų5059 Ų5925%0.24628%0.277CS..Hα-helixtrans-68-50.9-178.1-67.7174.367.900112R184 A185 G190 W191 M254 I255 L258R184-M188 HydrophobicContact CG-SD 3.96Å; R184-M188 WeakPolarHBondContact O-CG 3.44Å; R184-M188 PolarHBondContact O-N 3.48Å; A185-M188 PolarHBondContact O-N 3.2Å; M188-G190 VanDerWaalsContact C-N 3.27Å; M188-G190 PolarHBondContact O-N 2.98Å; M188-W191 PolarHBondContact O-N 2.85Å; M188-M254 HydrophobicContact CE-CE 3.16Å; M188-M254 HydrophobicContact CE-CG 4.3Å; M188-M254 HydrophobicContact CE-SD 3.85Å; M188-I255 HydrophobicContact CB-CD1 4.15Å; M188-I255 HydrophobicContact CB-CG1 4.09Å; M188-I255 HydrophobicContact CE-CG1 4.04Å; M188-L258 HydrophobicContact SD-CD2 4.17Å
189Y93.1Very high92.4Very high3 Ų359.8 Ų59.81%0.01228%0.281CS..Hα-helixtrans-72.3-24.4178.4-166.1-102.8000112.3A185 W191 H192 F193 L196 V210 G214 I255A185-Y189 VanDerWaalsContact O-CB 3.25Å; A185-Y189 WeakPolarHBondContact O-CB 3.49Å; A185-Y189 PolarHBondContact O-N 3.44Å; Y189-W191 PolarHBondContact O-N 2.94Å; Y189-H192 AromaticContact CE2-CD2 3.93Å; Y189-H192 PolarHBondContact O-N 3.28Å; Y189-F193 HydrophobicContact CD1-CB 4.15Å; Y189-F193 HydrophobicContact CE1-CB 3.56Å; Y189-F193 HydrophobicContact CE1-CD1 4.02Å; Y189-F193 HydrophobicContact CE1-CG 4.26Å; Y189-F193 PolarHBondContact O-N 3.41Å; Y189-L196 HydrophobicContact CD1-CD2 4Å; Y189-L196 HydrophobicContact CE1-CD2 3.56Å; Y189-V210 HydrophobicContact CD1-CB 4.43Å; Y189-V210 HydrophobicContact CD1-CG1 4.11Å; Y189-V210 HydrophobicContact CD1-CG2 3.53Å; Y189-V210 HydrophobicContact CD2-CG1 3.63Å; Y189-V210 HydrophobicContact CE1-CG1 4.35Å; Y189-V210 HydrophobicContact CE1-CG2 3.78Å; Y189-V210 HydrophobicContact CE2-CG1 3.92Å; Y189-V210 HydrophobicContact CG-CB 4.5Å; Y189-V210 HydrophobicContact CG-CG1 3.71Å; Y189-V210 HydrophobicContact CG-CG2 3.94Å; Y189-G214 VanDerWaalsContact CE2-O 3.31Å; Y189-G214 WeakPolarHBondContact CE2-O 3.41Å; Y189-G214 PolarHBondContact OH-O 3.33Å; Y189-G214 VanDerWaalsContact OH-O 3.12Å; Y189-I255 HydrophobicContact CD2-CD1 4.24Å; Y189-I255 HydrophobicContact CD2-CG2 4.25Å
190G91.9Very high92.1Very high19 Ų1956.8 Ų56.820%0.19627%0.265CS..Hα-helixtrans-62-23.6175.500000114K186 E187 M188 H192 P194K186-G190 WeakPolarHBondContact O-CA 3.25Å; K186-G190 PolarHBondContact O-N 3.48Å; E187-G190 PolarHBondContact O-N 2.65Å; M188-G190 VanDerWaalsContact C-N 3.27Å; M188-G190 PolarHBondContact O-N 2.98Å; G190-H192 VanDerWaalsContact C-N 3.34Å; G190-P194 VanDerWaalsContact O-CA 3.25Å; G190-P194 WeakPolarHBondContact O-CA 3.34Å; G190-P194 VanDerWaalsContact O-CB 3.27Å; G190-P194 WeakPolarHBondContact O-CB 3.44Å; G190-P194 VanDerWaalsContact O-CD 3.25Å; G190-P194 WeakPolarHBondContact O-CD 3.45Å
191W89.7Confident91.8Very high188 Ų18858.8 Ų58.871%0.71228%0.275SS*.Hα-helixtrans-67.6-36.5170-72.294.9000112.1M188 Y189 G244 T245M188-W191 PolarHBondContact O-N 2.85Å; Y189-W191 PolarHBondContact O-N 2.94Å; W191-G244 CarbonylContact O-C 3.57Å; W191-G244 VanDerWaalsContact O-CA 3.3Å; W191-G244 WeakPolarHBondContact O-CA 3.26Å; W191-T245 PolarHBondContact O-N 3.29Å; W191-T245 PolarHBondContact O-OG1 3.34Å
192H89.7Confident91.6Very high10 Ų1058.8 Ų58.85%0.04628%0.281CS..Hα-helixtrans-83.8-38.8179.6-17150.6000113.2Y189 G190 R216 G244 T245 V247Y189-H192 AromaticContact CE2-CD2 3.93Å; Y189-H192 PolarHBondContact O-N 3.28Å; G190-H192 VanDerWaalsContact C-N 3.34Å; H192-R216 VanDerWaalsContact NE2-CB 3.3Å; H192-R216 WeakPolarHBondContact NE2-CB 3.47Å; H192-R216 PolarHBondContact NE2-N 3.48Å; H192-G244 WeakPolarHBondContact O-CA 3.33Å; H192-T245 PolarHBondContact ND1-O 3.18Å; H192-V247 HydrophobicContact CB-CG1 3.92Å; H192-V247 HydrophobicContact CB-CG2 4.12Å
193F91.2Very high91.4Very high1 Ų161 Ų610%0.00429%0.293CS..  trans-144.677.9-178.3-167-177.1000111.8Y189 E195 L196 I235 A238Y189-F193 HydrophobicContact CD1-CB 4.15Å; Y189-F193 HydrophobicContact CE1-CB 3.56Å; Y189-F193 HydrophobicContact CE1-CD1 4.02Å; Y189-F193 HydrophobicContact CE1-CG 4.26Å; Y189-F193 PolarHBondContact O-N 3.41Å; F193-E195 VanDerWaalsContact C-N 3.33Å; F193-E195 HydrophobicContact CD2-CB 4.28Å; F193-E195 WeakPolarHBondContact CD2-OE2 3.49Å; F193-E195 HydrophobicContact CE2-CB 3.93Å; F193-E195 PolarHBondContact O-N 2.85Å; F193-L196 HydrophobicContact CD1-CB 3.81Å; F193-L196 HydrophobicContact CD1-CD2 4.24Å; F193-L196 HydrophobicContact CD1-CG 4.41Å; F193-L196 HydrophobicContact CD2-CB 4.24Å; F193-L196 HydrophobicContact CE1-CB 4.03Å; F193-L196 HydrophobicContact CE1-CD1 4.18Å; F193-L196 HydrophobicContact CE1-CG 4.5Å; F193-L196 HydrophobicContact CE2-CB 4.45Å; F193-L196 HydrophobicContact CG-CB 3.91Å; F193-L196 HydrophobicContact CZ-CB 4.34Å; F193-L196 PolarHBondContact O-N 3.2Å; F193-I235 HydrophobicContact CE1-CG2 3.98Å; F193-I235 HydrophobicContact CZ-CG2 4.29Å; F193-A238 HydrophobicContact CE2-CB 3.86Å; F193-A238 HydrophobicContact CZ-CB 3.94Å
194P89.5Confident91.2Very high46 Ų4658.8 Ų58.830%0.29928%0.284SS..THydrogen-bonded Turntrans-65-33.2-174.419.6-28.2000113.8G190 L196 S197G190-P194 VanDerWaalsContact O-CA 3.25Å; G190-P194 WeakPolarHBondContact O-CA 3.34Å; G190-P194 VanDerWaalsContact O-CB 3.27Å; G190-P194 WeakPolarHBondContact O-CB 3.44Å; G190-P194 VanDerWaalsContact O-CD 3.25Å; G190-P194 WeakPolarHBondContact O-CD 3.45Å; P194-L196 VanDerWaalsContact C-N 3.29Å; P194-L196 PolarHBondContact O-N 3.4Å; P194-S197 PolarHBondContact O-OG 2.83Å
195E90.7Very high91Very high52 Ų5253.5 Ų53.524%0.24327%0.268CS..THydrogen-bonded Turntrans-68.3-27.3-175.8-58.879.6-17700112.6F193 S197 K198 I199 A238 S242 L243F193-E195 VanDerWaalsContact C-N 3.33Å; F193-E195 HydrophobicContact CD2-CB 4.28Å; F193-E195 WeakPolarHBondContact CD2-OE2 3.49Å; F193-E195 HydrophobicContact CE2-CB 3.93Å; F193-E195 PolarHBondContact O-N 2.85Å; E195-S197 PolarHBondContact O-N 3.11Å; E195-K198 PolarHBondContact O-N 2.88Å; E195-I199 HydrophobicContact CB-CD1 4.48Å; E195-I199 WeakPolarHBondContact O-CG1 3.46Å; E195-I199 PolarHBondContact O-N 3.47Å; E195-A238 HydrophobicContact CB-CB 4.14Å; E195-S242 WeakPolarHBondContact OE1-CA 3.25Å; E195-S242 WeakPolarHBondContact OE2-CB 3.28Å; E195-S242 PolarHBondContact OE2-OG 3.3Å; E195-L243 PolarHBondContact OE1-N 3.26Å; E195-L243 VanDerWaalsContact OE1-N 3.15Å
196L90.4Very high91Very high0 Ų053.5 Ų53.50%027%0.268CS..Hα-helixtrans-57.4-35.6-178.8-175.465.2000112.5Y189 F193 P194 K198 I199 V200 Y206 V209 V210 I235Y189-L196 HydrophobicContact CD1-CD2 4Å; Y189-L196 HydrophobicContact CE1-CD2 3.56Å; F193-L196 HydrophobicContact CD1-CB 3.81Å; F193-L196 HydrophobicContact CD1-CD2 4.24Å; F193-L196 HydrophobicContact CD1-CG 4.41Å; F193-L196 HydrophobicContact CD2-CB 4.24Å; F193-L196 HydrophobicContact CE1-CB 4.03Å; F193-L196 HydrophobicContact CE1-CD1 4.18Å; F193-L196 HydrophobicContact CE1-CG 4.5Å; F193-L196 HydrophobicContact CE2-CB 4.45Å; F193-L196 HydrophobicContact CG-CB 3.91Å; F193-L196 HydrophobicContact CZ-CB 4.34Å; F193-L196 PolarHBondContact O-N 3.2Å; P194-L196 VanDerWaalsContact C-N 3.29Å; P194-L196 PolarHBondContact O-N 3.4Å; L196-K198 PolarHBondContact O-N 3.35Å; L196-I199 PolarHBondContact O-N 3.07Å; L196-V200 HydrophobicContact CD1-CG2 3.9Å; L196-V200 PolarHBondContact O-N 3.22Å; L196-Y206 HydrophobicContact CB-CE2 3.98Å; L196-Y206 HydrophobicContact CD2-CD2 4.08Å; L196-Y206 HydrophobicContact CD2-CE2 3.61Å; L196-Y206 HydrophobicContact CG-CD2 3.9Å; L196-Y206 HydrophobicContact CG-CE2 3.54Å; L196-V209 HydrophobicContact CD1-CG1 4.03Å; L196-V209 HydrophobicContact CD2-CG1 4.3Å; L196-V210 HydrophobicContact CD2-CG2 3.65Å; L196-I235 HydrophobicContact CD1-CD1 4.06Å; L196-I235 HydrophobicContact CD1-CG1 3.9Å; L196-I235 HydrophobicContact CD1-CG2 4.19Å
197S89.6Confident91Very high46 Ų4651.9 Ų51.932%0.32226%0.261SS..Hα-helixtrans-64.8-25.6180670000113.8P194 E195P194-S197 PolarHBondContact O-OG 2.83Å; E195-S197 PolarHBondContact O-N 3.11Å
198K89.6Confident91Very high174 Ų17451 Ų5176%0.75726%0.255SS*.Hα-helixtrans-87.5-30.3177.5-64.3178.9-179.2173.20111.9E195 L196E195-K198 PolarHBondContact O-N 2.88Å; L196-K198 PolarHBondContact O-N 3.35Å
199I89.7Confident91Very high32 Ų3248.6 Ų48.616%0.16424%0.244CC..Hα-helixtrans-78.1-48.1-179.4-62.3166.1000110.2E195 L196 I231 Q234 I235 A238E195-I199 HydrophobicContact CB-CD1 4.48Å; E195-I199 WeakPolarHBondContact O-CG1 3.46Å; E195-I199 PolarHBondContact O-N 3.47Å; L196-I199 PolarHBondContact O-N 3.07Å; I199-I231 HydrophobicContact CG2-CG2 3.43Å; I199-I231 VanDerWaalsContact CG2-CG2 3.43Å; I199-Q234 HydrophobicContact CG2-CB 4.15Å; I199-I235 HydrophobicContact CG2-CD1 4.48Å; I199-I235 HydrophobicContact CG2-CG1 3.76Å; I199-A238 HydrophobicContact CD1-CB 3.54Å
200V89.3Confident90.9Very high7 Ų748.5 Ų48.54%0.04224%0.243CC..  trans-10299-179.5-172.40000110.3L196 T205 Y206 I231 I235L196-V200 HydrophobicContact CD1-CG2 3.9Å; L196-V200 PolarHBondContact O-N 3.22Å; V200-T205 HydrophobicContact CG1-CG2 4.09Å; V200-Y206 HydrophobicContact CB-CD2 4.31Å; V200-I231 HydrophobicContact CG2-CG2 4.43Å; V200-I235 HydrophobicContact CG2-CD1 3.92Å
201L89.6Confident90.8Very high145 Ų14552 Ų5276%0.75925%0.253SS*.  trans-74.2-35.7-179.6-62.7-179.4000113N203L201-N203 PolarHBondContact O-N 2.75Å
202D91.6Very high90.7Very high87 Ų8748.3 Ų48.347%0.46524%0.239SC..  trans-72.2126179.7179.663.1000111.3V204 T205 Y206D202-V204 PolarHBondContact OD2-N 2.94Å; D202-T205 VanDerWaalsContact OD2-CB 3.22Å; D202-T205 WeakPolarHBondContact OD2-CB 3.35Å; D202-T205 PolarHBondContact OD2-N 3.32Å; D202-T205 PolarHBondContact OD2-OG1 2.89Å; D202-Y206 WeakPolarHBondContact O-CB 3.41Å; D202-Y206 PolarHBondContact O-N 3.37Å
203N91.5Very high90.6Very high49 Ų4948 Ų4826%0.26224%0.237SC..Hα-helixtrans-67.1-41-171.3-86.8-12.6000113I182 K186 L201 V207I182-N203 HydrophobicContact CD1-CB 3.83Å; I182-N203 HydrophobicContact CG2-CB 3.84Å; K186-N203 WeakPolarHBondContact CE-OD1 3.42Å; K186-N203 PolarHBondContact NZ-OD1 2.94Å; L201-N203 PolarHBondContact O-N 2.75Å; N203-V207 PolarHBondContact O-N 3.21Å
204V91Very high90.4Very high38 Ų3848.3 Ų48.323%0.2324%0.242CC..Hα-helixtrans-75.3-40.3-179178.60000110.3I182 D202 Y206 V207 K208I182-V204 HydrophobicContact CD1-CG2 4.47Å; D202-V204 PolarHBondContact OD2-N 2.94Å; V204-Y206 VanDerWaalsContact C-N 3.34Å; V204-V207 PolarHBondContact O-N 3.45Å; V204-K208 PolarHBondContact O-N 3.22Å; V204-K208 VanDerWaalsContact O-N 3.13Å
205T91.6Very high90.2Very high35 Ų3548.9 Ų48.922%0.21524%0.24CC..Hα-helixtrans-63.2-41.2175.8-53.90000111.1V200 D202 V207 K208 V209 L226 V227V200-T205 HydrophobicContact CG1-CG2 4.09Å; D202-T205 VanDerWaalsContact OD2-CB 3.22Å; D202-T205 WeakPolarHBondContact OD2-CB 3.35Å; D202-T205 PolarHBondContact OD2-N 3.32Å; D202-T205 PolarHBondContact OD2-OG1 2.89Å; T205-V207 VanDerWaalsContact C-N 3.33Å; T205-V207 PolarHBondContact O-N 3.13Å; T205-K208 PolarHBondContact O-N 3.04Å; T205-V209 HydrophobicContact CG2-CG2 4.41Å; T205-V209 WeakPolarHBondContact O-CG2 3.41Å; T205-V209 PolarHBondContact O-N 3.21Å; T205-L226 WeakPolarHBondContact CG2-O 3.5Å; T205-V227 HydrophobicContact CG2-CG2 3.7Å
206Y93.6Very high89.5Confident0 Ų048.6 Ų48.60%024%0.237CC..Hα-helixtrans-53.2-49.8173.7175.9-87.1000111.5K186 L196 V200 D202 V204 K208 V209 V210K186-Y206 HydrophobicContact CB-CE1 4.25Å; K186-Y206 HydrophobicContact CD-CD1 4.44Å; K186-Y206 HydrophobicContact CD-CE1 4.43Å; K186-Y206 HydrophobicContact CG-CD1 3.72Å; K186-Y206 HydrophobicContact CG-CE1 3.33Å; K186-Y206 HydrophobicContact CG-CE2 4.26Å; K186-Y206 HydrophobicContact CG-CG 4.35Å; L196-Y206 HydrophobicContact CB-CE2 3.98Å; L196-Y206 HydrophobicContact CD2-CD2 4.08Å; L196-Y206 HydrophobicContact CD2-CE2 3.61Å; L196-Y206 HydrophobicContact CG-CD2 3.9Å; L196-Y206 HydrophobicContact CG-CE2 3.54Å; V200-Y206 HydrophobicContact CB-CD2 4.31Å; D202-Y206 WeakPolarHBondContact O-CB 3.41Å; D202-Y206 PolarHBondContact O-N 3.37Å; V204-Y206 VanDerWaalsContact C-N 3.34Å; Y206-K208 PolarHBondContact O-N 2.98Å; Y206-V209 PolarHBondContact O-N 2.91Å; Y206-V210 HydrophobicContact CD1-CG2 3.96Å; Y206-V210 HydrophobicContact CE1-CG2 3.52Å; Y206-V210 HydrophobicContact CE2-CG2 4.33Å; Y206-V210 WeakPolarHBondContact O-CG2 3.41Å; Y206-V210 PolarHBondContact O-N 2.91Å
207V93.5Very high88.7Confident0 Ų054.7 Ų54.70%027%0.274CS..Hα-helixtrans-62.8-40.4179.6170.40000112.3I182 N203 V204 T205 V209 V210 K211 C259 V262 L263I182-V207 HydrophobicContact CG1-CG2 3.93Å; I182-V207 HydrophobicContact CG2-CG2 4.39Å; N203-V207 PolarHBondContact O-N 3.21Å; V204-V207 PolarHBondContact O-N 3.45Å; T205-V207 VanDerWaalsContact C-N 3.33Å; T205-V207 PolarHBondContact O-N 3.13Å; V207-V209 VanDerWaalsContact C-N 3.32Å; V207-V209 PolarHBondContact O-N 2.87Å; V207-V210 PolarHBondContact O-N 3Å; V207-K211 WeakPolarHBondContact O-CB 3.19Å; V207-K211 PolarHBondContact O-N 3.47Å; V207-C259 HydrophobicContact CG1-CB 3.56Å; V207-V262 HydrophobicContact CB-CG1 4.41Å; V207-V262 HydrophobicContact CG1-CB 4.1Å; V207-V262 HydrophobicContact CG1-CG1 4.1Å; V207-V262 HydrophobicContact CG2-CG1 4.15Å; V207-L263 HydrophobicContact CG1-CG 4.31Å
208K92.4Very high87.9Confident89 Ų8956.5 Ų56.539%0.38728%0.28SS..Hα-helixtrans-62.4-40.1175.4-68.4179.3-179.1177.20112.1V204 T205 Y206 R212 L226 L263V204-K208 PolarHBondContact O-N 3.22Å; V204-K208 VanDerWaalsContact O-N 3.13Å; T205-K208 PolarHBondContact O-N 3.04Å; Y206-K208 PolarHBondContact O-N 2.98Å; K208-R212 WeakPolarHBondContact O-CB 3.41Å; K208-R212 PolarHBondContact O-N 3.42Å; K208-R212 VanDerWaalsContact O-N 3.1Å; K208-L226 HydrophobicContact CB-CD1 3.9Å; K208-L226 HydrophobicContact CB-CD2 3.84Å; K208-L226 HydrophobicContact CB-CG 4.48Å; K208-L226 HydrophobicContact CD-CD2 3.73Å; K208-L226 HydrophobicContact CG-CD2 4.38Å; K208-L263 HydrophobicContact CD-CD2 4.44Å; K208-L263 HydrophobicContact CG-CD2 3.67Å
209V91Very high86.7Confident0 Ų048.9 Ų48.90%025%0.249CC..Hα-helixtrans-67.3-45.7177.6172.50000110.8L196 T205 Y206 V207 K211 R212 I213 L223 L226 V227 I235L196-V209 HydrophobicContact CD1-CG1 4.03Å; L196-V209 HydrophobicContact CD2-CG1 4.3Å; T205-V209 HydrophobicContact CG2-CG2 4.41Å; T205-V209 WeakPolarHBondContact O-CG2 3.41Å; T205-V209 PolarHBondContact O-N 3.21Å; Y206-V209 PolarHBondContact O-N 2.91Å; V207-V209 VanDerWaalsContact C-N 3.32Å; V207-V209 PolarHBondContact O-N 2.87Å; V209-K211 VanDerWaalsContact C-N 3.34Å; V209-K211 PolarHBondContact O-N 3.4Å; V209-R212 PolarHBondContact O-N 3.49Å; V209-R212 VanDerWaalsContact O-N 3.12Å; V209-I213 HydrophobicContact CG1-CD1 3.47Å; V209-I213 VanDerWaalsContact CG1-CD1 3.47Å; V209-I213 HydrophobicContact CG1-CG1 4.17Å; V209-I213 WeakPolarHBondContact O-CG1 3.48Å; V209-I213 PolarHBondContact O-N 2.9Å; V209-L223 HydrophobicContact CG1-CD2 4.33Å; V209-L223 HydrophobicContact CG2-CD2 4.47Å; V209-L226 HydrophobicContact CG2-CB 4.38Å; V209-L226 HydrophobicContact CG2-CD1 4.16Å; V209-V227 HydrophobicContact CG2-CG2 3.66Å; V209-I235 HydrophobicContact CG1-CD1 4.2Å
210V91.6Very high85.5Confident1 Ų154.3 Ų54.31%0.00628%0.278CS..Hα-helixtrans-56.3-49.2176170.90000110.8Y189 L196 Y206 V207 R212 I213 G214 I255Y189-V210 HydrophobicContact CD1-CB 4.43Å; Y189-V210 HydrophobicContact CD1-CG1 4.11Å; Y189-V210 HydrophobicContact CD1-CG2 3.53Å; Y189-V210 HydrophobicContact CD2-CG1 3.63Å; Y189-V210 HydrophobicContact CE1-CG1 4.35Å; Y189-V210 HydrophobicContact CE1-CG2 3.78Å; Y189-V210 HydrophobicContact CE2-CG1 3.92Å; Y189-V210 HydrophobicContact CG-CB 4.5Å; Y189-V210 HydrophobicContact CG-CG1 3.71Å; Y189-V210 HydrophobicContact CG-CG2 3.94Å; L196-V210 HydrophobicContact CD2-CG2 3.65Å; Y206-V210 HydrophobicContact CD1-CG2 3.96Å; Y206-V210 HydrophobicContact CE1-CG2 3.52Å; Y206-V210 HydrophobicContact CE2-CG2 4.33Å; Y206-V210 WeakPolarHBondContact O-CG2 3.41Å; Y206-V210 PolarHBondContact O-N 2.91Å; V207-V210 PolarHBondContact O-N 3Å; V210-R212 VanDerWaalsContact C-N 3.25Å; V210-R212 PolarHBondContact O-N 3.25Å; V210-I213 PolarHBondContact O-N 3.47Å; V210-G214 PolarHBondContact O-N 3.31Å; V210-I255 HydrophobicContact CG1-CG2 3.77Å
211K90.6Very high84.7Confident91 Ų9155.5 Ų55.540%0.39629%0.285SS..Hα-helixtrans-59.8-34.8178-174.2-179.7174.6-176.30112.9V207 V209 C259 D260 L263V207-K211 WeakPolarHBondContact O-CB 3.19Å; V207-K211 PolarHBondContact O-N 3.47Å; V209-K211 VanDerWaalsContact C-N 3.34Å; V209-K211 PolarHBondContact O-N 3.4Å; K211-C259 HydrophobicContact CB-CB 4.13Å; K211-D260 WeakPolarHBondContact CD-OD1 3.44Å; K211-D260 WeakPolarHBondContact CE-OD1 3.5Å; K211-D260 IonicContact NZ-OD1 3.84Å; K211-D260 PolarHBondContact NZ-OD1 3.23Å; K211-D260 IonicContact NZ-OD2 2.95Å; K211-L263 HydrophobicContact CD-CD1 3.9Å
212R87.8Confident84Confident111 Ų11153.5 Ų53.542%0.41928%0.276SS..Hα-helixtrans-78.2-39.9-178.4-173.668.7109128.65.9112.7K208 V209 V210 V221 L223 D225 L226K208-R212 WeakPolarHBondContact O-CB 3.41Å; K208-R212 PolarHBondContact O-N 3.42Å; K208-R212 VanDerWaalsContact O-N 3.1Å; V209-R212 PolarHBondContact O-N 3.49Å; V209-R212 VanDerWaalsContact O-N 3.12Å; V210-R212 VanDerWaalsContact C-N 3.25Å; V210-R212 PolarHBondContact O-N 3.25Å; R212-V221 HydrophobicContact CG-CG1 3.59Å; R212-L223 HydrophobicContact CB-CD2 4.29Å; R212-L223 HydrophobicContact CG-CD2 4.02Å; R212-D225 IonicContact NH2-OD1 2.64Å; R212-D225 IonicContact NH2-OD2 3.22Å; R212-D225 PolarHBondContact NH2-OD2 2.91Å; R212-L226 HydrophobicContact CB-CD1 4.35Å
213I87.8Confident83.4Confident3 Ų349.5 Ų49.52%0.01525%0.254CS..Hα-helixtrans-74.9-48.4-179.2-66.9175.6000110.1V209 V210 H215 N218 L223 I235V209-I213 HydrophobicContact CG1-CD1 3.47Å; V209-I213 VanDerWaalsContact CG1-CD1 3.47Å; V209-I213 HydrophobicContact CG1-CG1 4.17Å; V209-I213 WeakPolarHBondContact O-CG1 3.48Å; V209-I213 PolarHBondContact O-N 2.9Å; V210-I213 PolarHBondContact O-N 3.47Å; I213-H215 VanDerWaalsContact CG2-O 3.28Å; I213-H215 WeakPolarHBondContact CG2-O 3.3Å; I213-H215 PolarHBondContact O-N 3.48Å; I213-H215 VanDerWaalsContact O-N 3.09Å; I213-N218 WeakPolarHBondContact O-CB 3.43Å; I213-L223 HydrophobicContact CD1-CD1 4.27Å; I213-L223 HydrophobicContact CG1-CD2 4.45Å; I213-I235 HydrophobicContact CD1-CG2 3.74Å
214G86.3Confident82.7Confident9 Ų950.1 Ų50.19%0.09326%0.262CS..  trans63.5-106.7-170.500000110.3Y189 V210Y189-G214 VanDerWaalsContact CE2-O 3.31Å; Y189-G214 WeakPolarHBondContact CE2-O 3.41Å; Y189-G214 PolarHBondContact OH-O 3.33Å; Y189-G214 VanDerWaalsContact OH-O 3.12Å; V210-G214 PolarHBondContact O-N 3.31Å
215H85.2Confident82.3Confident58 Ų5853.2 Ų53.227%0.26928%0.277SS..SBendtrans-72.2140.1173.3-63.7-92000111.2I213 T217 N218 D249 I252I213-H215 VanDerWaalsContact CG2-O 3.28Å; I213-H215 WeakPolarHBondContact CG2-O 3.3Å; I213-H215 PolarHBondContact O-N 3.48Å; I213-H215 VanDerWaalsContact O-N 3.09Å; H215-T217 PolarHBondContact O-N 3.45Å; H215-T217 VanDerWaalsContact O-N 3.09Å; H215-N218 WeakPolarHBondContact O-CB 3.47Å; H215-N218 PolarHBondContact O-N 2.99Å; H215-D249 IonicContact CE1-OD1 3.45Å; H215-D249 PolarHBondContact CE1-OD1 2.92Å; H215-D249 IonicContact NE2-OD1 3.02Å; H215-D249 PolarHBondContact NE2-OD1 3.31Å; H215-I252 HydrophobicContact CB-CD1 4.1Å; H215-I252 WeakPolarHBondContact CE1-CD1 3.29Å; H215-I252 WeakPolarHBondContact ND1-CD1 3.39Å
216R77Confident81.9Confident46 Ų4653.7 Ų53.717%0.17428%0.278CS..G310 helixtrans-51.9-33173.6-179.2179.267.8144.2-18.1113.4H192 N218 S219 S239 S242H192-R216 VanDerWaalsContact NE2-CB 3.3Å; H192-R216 WeakPolarHBondContact NE2-CB 3.47Å; H192-R216 PolarHBondContact NE2-N 3.48Å; R216-N218 PolarHBondContact O-N 3.45Å; R216-S219 WeakPolarHBondContact O-CB 3.44Å; R216-S219 PolarHBondContact O-N 2.91Å; R216-S239 VanDerWaalsContact CD-O 3.27Å; R216-S239 WeakPolarHBondContact CD-O 3.3Å; R216-S239 PolarHBondContact NH1-O 3.48Å; R216-S239 VanDerWaalsContact NH1-O 3.07Å; R216-S242 VanDerWaalsContact NH1-CB 3.33Å; R216-S242 PolarHBondContact NH1-O 2.89Å
217T72.8Confident81.4Confident128 Ų12854.1 Ų54.179%0.78528%0.281SS*.G310 helixtrans-66.8-21.1178500000113.3H215 S219H215-T217 PolarHBondContact O-N 3.45Å; H215-T217 VanDerWaalsContact O-N 3.09Å; T217-S219 PolarHBondContact O-N 3.06Å
218N72.1Confident81.1Confident84 Ų8458.2 Ų58.245%0.44931%0.308SS..G310 helixtrans-9027179.8-159.626.8000112.3I213 H215 R216 N220 V221I213-N218 WeakPolarHBondContact O-CB 3.43Å; H215-N218 WeakPolarHBondContact O-CB 3.47Å; H215-N218 PolarHBondContact O-N 2.99Å; R216-N218 PolarHBondContact O-N 3.45Å; N218-N220 PolarHBondContact O-N 3.46Å; N218-N220 VanDerWaalsContact O-N 3.11Å; N218-V221 VanDerWaalsContact O-CG2 3.26Å; N218-V221 WeakPolarHBondContact O-CG2 3.49Å; N218-V221 PolarHBondContact O-N 3.49Å
219S63.9Low80.7Confident13 Ų1359.1 Ų59.19%0.09132%0.317CS..THydrogen-bonded Turntrans-68.8-5.6-177.459.10000114.7R216 T217 V221 R236 S239R216-S219 WeakPolarHBondContact O-CB 3.44Å; R216-S219 PolarHBondContact O-N 2.91Å; T217-S219 PolarHBondContact O-N 3.06Å; S219-V221 PolarHBondContact O-N 2.9Å; S219-R236 WeakPolarHBondContact O-CG 3.26Å; S219-S239 VanDerWaalsContact CB-OG 3.26Å; S219-S239 WeakPolarHBondContact CB-OG 3.49Å; S219-S239 PolarHBondContact OG-OG 3.33Å
220N66Low80.5Confident147 Ų14766.6 Ų66.679%0.78635%0.352SS*.THydrogen-bonded Turntrans-76.1-0.7173.5-80-11.9000114.1N218N218-N220 PolarHBondContact O-N 3.46Å; N218-N220 VanDerWaalsContact O-N 3.11Å
221V71.4Confident80.2Confident32 Ų3268.9 Ų68.919%0.19436%0.363CS..SBendtrans-65.6140.1176.2-179.70000110.2R212 N218 S219 L223R212-V221 HydrophobicContact CG-CG1 3.59Å; N218-V221 VanDerWaalsContact O-CG2 3.26Å; N218-V221 WeakPolarHBondContact O-CG2 3.49Å; N218-V221 PolarHBondContact O-N 3.49Å; S219-V221 PolarHBondContact O-N 2.9Å; V221-L223 PolarHBondContact O-N 3.26Å
222D75.7Confident80Confident103 Ų10364.5 Ų64.555%0.55134%0.344SS*.  trans-63.2124.1174.8-169.85.9000110.5S224D222-S224 WeakPolarHBondContact OD1-CB 3.43Å; D222-S224 PolarHBondContact OD1-N 3.27Å; D222-S224 VanDerWaalsContact OD1-N 3.1Å; D222-S224 PolarHBondContact OD1-OG 2.76Å
223L78.1Confident79.9Confident2 Ų261.3 Ų61.31%0.0134%0.339CS..  trans-118.33.2-178.5-69.5171.1000112.1V209 R212 I213 V221 D225 L226 V227 A232 I235V209-L223 HydrophobicContact CG1-CD2 4.33Å; V209-L223 HydrophobicContact CG2-CD2 4.47Å; R212-L223 HydrophobicContact CB-CD2 4.29Å; R212-L223 HydrophobicContact CG-CD2 4.02Å; I213-L223 HydrophobicContact CD1-CD1 4.27Å; I213-L223 HydrophobicContact CG1-CD2 4.45Å; V221-L223 PolarHBondContact O-N 3.26Å; L223-D225 PolarHBondContact O-N 2.76Å; L223-D225 VanDerWaalsContact O-N 3.1Å; L223-L226 HydrophobicContact CD2-CD1 4.29Å; L223-L226 PolarHBondContact O-N 3.07Å; L223-V227 PolarHBondContact O-N 3.42Å; L223-V227 VanDerWaalsContact O-N 3.13Å; L223-A232 HydrophobicContact CB-CB 4.21Å; L223-I235 HydrophobicContact CD1-CD1 4.27Å; L223-I235 HydrophobicContact CD1-CG2 4.29Å
224S77.4Confident79.8Confident63 Ų6365.7 Ų65.744%0.44136%0.359SS..THydrogen-bonded Turntrans-64.9-14.6-174-67.40000113.4D222 D229D222-S224 WeakPolarHBondContact OD1-CB 3.43Å; D222-S224 PolarHBondContact OD1-N 3.27Å; D222-S224 VanDerWaalsContact OD1-N 3.1Å; D222-S224 PolarHBondContact OD1-OG 2.76Å; S224-D229 PolarHBondContact OG-OD1 3.02Å
225D83.3Confident79.8Confident102 Ų10265.2 Ų65.255%0.54536%0.355SS..THydrogen-bonded Turntrans-81.4-23.9173.858.7-24.3000113.9R212 L223R212-D225 IonicContact NH2-OD1 2.64Å; R212-D225 IonicContact NH2-OD2 3.22Å; R212-D225 PolarHBondContact NH2-OD2 2.91Å; L223-D225 PolarHBondContact O-N 2.76Å; L223-D225 VanDerWaalsContact O-N 3.1Å
226L82.1Confident79.8Confident45 Ų4566.8 Ų66.824%0.23636%0.358CS..THydrogen-bonded Turntrans-103.9-34.8-174-64.6178.7000112.7T205 K208 V209 R212 L223T205-L226 WeakPolarHBondContact CG2-O 3.5Å; K208-L226 HydrophobicContact CB-CD1 3.9Å; K208-L226 HydrophobicContact CB-CD2 3.84Å; K208-L226 HydrophobicContact CB-CG 4.48Å; K208-L226 HydrophobicContact CD-CD2 3.73Å; K208-L226 HydrophobicContact CG-CD2 4.38Å; V209-L226 HydrophobicContact CG2-CB 4.38Å; V209-L226 HydrophobicContact CG2-CD1 4.16Å; R212-L226 HydrophobicContact CB-CD1 4.35Å; L223-L226 HydrophobicContact CD2-CD1 4.29Å; L223-L226 PolarHBondContact O-N 3.07Å
227V83.2Confident80.3Confident10 Ų1070.2 Ų70.26%0.06138%0.376CS..SBendtrans-144.4143.6-166-173.20000109.6T205 V209 L223 I231T205-V227 HydrophobicContact CG2-CG2 3.7Å; V209-V227 HydrophobicContact CG2-CG2 3.66Å; L223-V227 PolarHBondContact O-N 3.42Å; L223-V227 VanDerWaalsContact O-N 3.13Å; V227-I231 HydrophobicContact CG1-CB 3.36Å; V227-I231 HydrophobicContact CG1-CD1 3.98Å; V227-I231 HydrophobicContact CG1-CG1 4.21Å; V227-I231 HydrophobicContact CG1-CG2 3.37Å
228P86.8Confident81Confident86 Ų8665 Ų6556%0.55835%0.346SS*.  trans-52.3147.2170.4-2633.6000113.4E230 I231 A232P228-E230 PolarHBondContact O-N 3.17Å; P228-E230 VanDerWaalsContact O-N 3.11Å; P228-I231 HydrophobicContact CG-CD1 4.47Å; P228-I231 PolarHBondContact O-N 3.28Å; P228-A232 PolarHBondContact O-N 3.24Å
229D84.2Confident81.6Confident108 Ų10861.3 Ų61.358%0.57833%0.327SS*.Hα-helixtrans-56.4-32.9-175.4-65.9-31.3000113.5S224 A232 S233S224-D229 PolarHBondContact OG-OD1 3.02Å; D229-A232 PolarHBondContact O-N 3.47Å; D229-S233 PolarHBondContact O-N 3.43Å
230E86.7Confident82.6Confident156 Ų15667.2 Ų67.273%0.72936%0.356SS*.Hα-helixtrans-59.4-48176.3-66.2-179.5177.500112.1P228 S233 Q234P228-E230 PolarHBondContact O-N 3.17Å; P228-E230 VanDerWaalsContact O-N 3.11Å; E230-S233 PolarHBondContact O-N 2.98Å; E230-Q234 WeakPolarHBondContact O-CG 3.48Å; E230-Q234 PolarHBondContact O-N 3.46Å; E230-Q234 VanDerWaalsContact O-N 3.15Å
231I86.7Confident83.5Confident49 Ų4966.1 Ų66.125%0.25135%0.354SS..Hα-helixtrans-74.8-34.4-179.1-57.1175.6000109.3I199 V200 V227 P228 S233 Q234 I235I199-I231 HydrophobicContact CG2-CG2 3.43Å; I199-I231 VanDerWaalsContact CG2-CG2 3.43Å; V200-I231 HydrophobicContact CG2-CG2 4.43Å; V227-I231 HydrophobicContact CG1-CB 3.36Å; V227-I231 HydrophobicContact CG1-CD1 3.98Å; V227-I231 HydrophobicContact CG1-CG1 4.21Å; V227-I231 HydrophobicContact CG1-CG2 3.37Å; P228-I231 HydrophobicContact CG-CD1 4.47Å; P228-I231 PolarHBondContact O-N 3.28Å; I231-S233 VanDerWaalsContact C-N 3.3Å; I231-S233 PolarHBondContact O-N 3.27Å; I231-Q234 WeakPolarHBondContact O-CB 3.32Å; I231-Q234 PolarHBondContact O-N 2.85Å; I231-I235 HydrophobicContact CG2-CD1 4.2Å; I231-I235 HydrophobicContact CG2-CG1 4.5Å; I231-I235 VanDerWaalsContact O-CG1 3.27Å; I231-I235 WeakPolarHBondContact O-CG1 3.46Å; I231-I235 PolarHBondContact O-N 3.02Å
232A84.9Confident84.1Confident0 Ų065.1 Ų65.10%035%0.349CS..Hα-helixtrans-59.5-40.7172.800000111.9L223 P228 D229 I235 R236L223-A232 HydrophobicContact CB-CB 4.21Å; P228-A232 PolarHBondContact O-N 3.24Å; D229-A232 PolarHBondContact O-N 3.47Å; A232-I235 PolarHBondContact O-N 3.09Å; A232-R236 PolarHBondContact O-N 2.79Å; A232-R236 VanDerWaalsContact O-N 3.14Å
233S85.5Confident84.6Confident43 Ų4367.8 Ų67.830%0.30136%0.362SS..Hα-helixtrans-63.2-44.8173.1-162.10000111.9D229 E230 I231 I235 R236 E237D229-S233 PolarHBondContact O-N 3.43Å; E230-S233 PolarHBondContact O-N 2.98Å; I231-S233 VanDerWaalsContact C-N 3.3Å; I231-S233 PolarHBondContact O-N 3.27Å; S233-I235 VanDerWaalsContact C-N 3.29Å; S233-I235 PolarHBondContact O-N 3.36Å; S233-R236 PolarHBondContact O-N 2.97Å; S233-R236 VanDerWaalsContact O-N 3.11Å; S233-E237 WeakPolarHBondContact O-CG 3.27Å; S233-E237 PolarHBondContact O-N 3.13Å; S233-E237 PolarHBondContact OG-OE1 3.48Å
234Q86.5Confident84.9Confident95 Ų9568.4 Ų68.444%0.44437%0.369SS..Hα-helixtrans-59.8-38.5176.6-70.2174.88.100112.4I199 E230 I231 A238I199-Q234 HydrophobicContact CG2-CB 4.15Å; E230-Q234 WeakPolarHBondContact O-CG 3.48Å; E230-Q234 PolarHBondContact O-N 3.46Å; E230-Q234 VanDerWaalsContact O-N 3.15Å; I231-Q234 WeakPolarHBondContact O-CB 3.32Å; I231-Q234 PolarHBondContact O-N 2.85Å; Q234-A238 WeakPolarHBondContact O-CB 3.2Å; Q234-A238 PolarHBondContact O-N 3.13Å
235I86.9Confident85.4Confident0 Ų069 Ų690%037%0.37CS..Hα-helixtrans-63.3-43.5175.4-67165.9000110.4F193 L196 I199 V200 V209 I213 L223 I231 A232 S233 A238 S239F193-I235 HydrophobicContact CE1-CG2 3.98Å; F193-I235 HydrophobicContact CZ-CG2 4.29Å; L196-I235 HydrophobicContact CD1-CD1 4.06Å; L196-I235 HydrophobicContact CD1-CG1 3.9Å; L196-I235 HydrophobicContact CD1-CG2 4.19Å; I199-I235 HydrophobicContact CG2-CD1 4.48Å; I199-I235 HydrophobicContact CG2-CG1 3.76Å; V200-I235 HydrophobicContact CG2-CD1 3.92Å; V209-I235 HydrophobicContact CG1-CD1 4.2Å; I213-I235 HydrophobicContact CD1-CG2 3.74Å; L223-I235 HydrophobicContact CD1-CD1 4.27Å; L223-I235 HydrophobicContact CD1-CG2 4.29Å; I231-I235 HydrophobicContact CG2-CD1 4.2Å; I231-I235 HydrophobicContact CG2-CG1 4.5Å; I231-I235 VanDerWaalsContact O-CG1 3.27Å; I231-I235 WeakPolarHBondContact O-CG1 3.46Å; I231-I235 PolarHBondContact O-N 3.02Å; A232-I235 PolarHBondContact O-N 3.09Å; S233-I235 VanDerWaalsContact C-N 3.29Å; S233-I235 PolarHBondContact O-N 3.36Å; I235-A238 PolarHBondContact O-N 3.44Å; I235-S239 WeakPolarHBondContact O-CB 3.49Å; I235-S239 PolarHBondContact O-N 3.15Å
236R85.6Confident85.5Confident90 Ų9072.7 Ų72.734%0.3438%0.384SS..Hα-helixtrans-64.4-47.8177.7-68.6-171.9-137.8119.91111.8S219 A232 S233 A238 S239 I240S219-R236 WeakPolarHBondContact O-CG 3.26Å; A232-R236 PolarHBondContact O-N 2.79Å; A232-R236 VanDerWaalsContact O-N 3.14Å; S233-R236 PolarHBondContact O-N 2.97Å; S233-R236 VanDerWaalsContact O-N 3.11Å; R236-A238 VanDerWaalsContact C-N 3.35Å; R236-A238 PolarHBondContact O-N 3.19Å; R236-S239 WeakPolarHBondContact O-CB 3.34Å; R236-S239 PolarHBondContact O-N 3Å; R236-S239 VanDerWaalsContact O-N 3.17Å; R236-S239 PolarHBondContact O-OG 2.74Å; R236-I240 PolarHBondContact O-N 3.01Å
237E86.9Confident85.7Confident119 Ų11971.9 Ų71.956%0.55638%0.381SS*.Hα-helixtrans-60.3-45.6177.4-71.6171.2-155.600111.5S233 S239 I240 V241S233-E237 WeakPolarHBondContact O-CG 3.27Å; S233-E237 PolarHBondContact O-N 3.13Å; S233-E237 PolarHBondContact OG-OE1 3.48Å; E237-S239 VanDerWaalsContact C-N 3.3Å; E237-S239 PolarHBondContact O-N 3.06Å; E237-I240 PolarHBondContact O-N 3.38Å; E237-V241 PolarHBondContact O-N 3.5Å
238A86.4Confident86Confident17 Ų1776.8 Ų76.814%0.1441%0.405CS..Hα-helixtrans-65-33176.900000112.2F193 E195 I199 Q234 I235 R236 I240 V241 S242F193-A238 HydrophobicContact CE2-CB 3.86Å; F193-A238 HydrophobicContact CZ-CB 3.94Å; E195-A238 HydrophobicContact CB-CB 4.14Å; I199-A238 HydrophobicContact CD1-CB 3.54Å; Q234-A238 WeakPolarHBondContact O-CB 3.2Å; Q234-A238 PolarHBondContact O-N 3.13Å; I235-A238 PolarHBondContact O-N 3.44Å; R236-A238 VanDerWaalsContact C-N 3.35Å; R236-A238 PolarHBondContact O-N 3.19Å; A238-I240 VanDerWaalsContact C-N 3.29Å; A238-I240 PolarHBondContact O-N 2.97Å; A238-V241 PolarHBondContact O-N 3.23Å; A238-S242 WeakPolarHBondContact O-CA 3.38Å; A238-S242 WeakPolarHBondContact O-CB 3.17Å; A238-S242 PolarHBondContact O-N 2.86Å
239S85.2Confident86.2Confident7 Ų777.7 Ų77.75%0.04941%0.406CS..Hα-helixtrans-61.8-37.6177.476.90000112.4R216 S219 I235 R236 E237R216-S239 VanDerWaalsContact CD-O 3.27Å; R216-S239 WeakPolarHBondContact CD-O 3.3Å; R216-S239 PolarHBondContact NH1-O 3.48Å; R216-S239 VanDerWaalsContact NH1-O 3.07Å; S219-S239 VanDerWaalsContact CB-OG 3.26Å; S219-S239 WeakPolarHBondContact CB-OG 3.49Å; S219-S239 PolarHBondContact OG-OG 3.33Å; I235-S239 WeakPolarHBondContact O-CB 3.49Å; I235-S239 PolarHBondContact O-N 3.15Å; R236-S239 WeakPolarHBondContact O-CB 3.34Å; R236-S239 PolarHBondContact O-N 3Å; R236-S239 VanDerWaalsContact O-N 3.17Å; R236-S239 PolarHBondContact O-OG 2.74Å; E237-S239 VanDerWaalsContact C-N 3.3Å; E237-S239 PolarHBondContact O-N 3.06Å
240I84.2Confident86.5Confident138 Ų13879.9 Ų79.971%0.70841%0.412SS*.Hα-helixtrans-71.6-39.6-179.2-61.3165.7000110.9R236 E237 A238R236-I240 PolarHBondContact O-N 3.01Å; E237-I240 PolarHBondContact O-N 3.38Å; A238-I240 VanDerWaalsContact C-N 3.29Å; A238-I240 PolarHBondContact O-N 2.97Å
241V85.4Confident86.7Confident124 Ų12475.6 Ų75.675%0.75239%0.394SS*.Hα-helixtrans-94.9-5.7-174.5-1710000112.7E237 A238E237-V241 PolarHBondContact O-N 3.5Å; A238-V241 PolarHBondContact O-N 3.23Å
242S84.9Confident87Confident11 Ų1173.6 Ų73.68%0.07738%0.384CS..  trans-60.5140.8-170.7170.10000113.3E195 R216 A238 G244E195-S242 WeakPolarHBondContact OE1-CA 3.25Å; E195-S242 WeakPolarHBondContact OE2-CB 3.28Å; E195-S242 PolarHBondContact OE2-OG 3.3Å; R216-S242 VanDerWaalsContact NH1-CB 3.33Å; R216-S242 PolarHBondContact NH1-O 2.89Å; A238-S242 WeakPolarHBondContact O-CA 3.38Å; A238-S242 WeakPolarHBondContact O-CB 3.17Å; A238-S242 PolarHBondContact O-N 2.86Å; S242-G244 VanDerWaalsContact C-N 3.29Å; S242-G244 PolarHBondContact OG-N 3.17Å
243L85.7Confident87.4Confident159 Ų15977.2 Ų77.283%0.83241%0.406SS*.  trans-85.93.2179.1-169.460.6000113.1E195E195-L243 PolarHBondContact OE1-N 3.26Å; E195-L243 VanDerWaalsContact OE1-N 3.15Å
244G84.9Confident87.8Confident14 Ų1479.3 Ų79.314%0.14441%0.412CS..PPolyproline II helixtrans-66160.1-176.600000114.5W191 H192 S242W191-G244 CarbonylContact O-C 3.57Å; W191-G244 VanDerWaalsContact O-CA 3.3Å; W191-G244 WeakPolarHBondContact O-CA 3.26Å; H192-G244 WeakPolarHBondContact O-CA 3.33Å; S242-G244 VanDerWaalsContact C-N 3.29Å; S242-G244 PolarHBondContact OG-N 3.17Å
245T87.7Confident88.1Confident76 Ų7675 Ų7547%0.46639%0.393SS..PPolyproline II helixtrans-85.7152.8179.157.10000111.6W191 H192W191-T245 PolarHBondContact O-N 3.29Å; W191-T245 PolarHBondContact O-OG1 3.34Å; H192-T245 PolarHBondContact ND1-O 3.18Å
246E85.7Confident88.5Confident180 Ų18077 Ų7784%0.84140%0.403SS*.PPolyproline II helixtrans-68.6138.3167.8-65.5-179.7176.800109.8
247V85.5Confident88.9Confident28 Ų2878.2 Ų78.217%0.1741%0.413CS..  trans-121.7152.9179.2-65.30000108.8H192 D251 I252H192-V247 HydrophobicContact CB-CG1 3.92Å; H192-V247 HydrophobicContact CB-CG2 4.12Å; V247-D251 HydrophobicContact CB-CB 4.29Å; V247-I252 HydrophobicContact CG2-CD1 3.65Å; V247-I252 HydrophobicContact CG2-CG1 3.52Å
248I90.5Very high89.3Confident113 Ų11373.5 Ų73.558%0.57939%0.391SS*.  trans-82.1153.2-177.8-53.9170.9000108.8E250 D251 I252I248-E250 HydrophobicContact CG2-CB 4.43Å; I248-E250 HydrophobicContact CG2-CG 4.49Å; I248-E250 PolarHBondContact O-N 2.92Å; I248-E250 VanDerWaalsContact O-N 3.14Å; I248-D251 PolarHBondContact N-OD2 3.29Å; I248-D251 WeakPolarHBondContact O-CB 3.42Å; I248-D251 PolarHBondContact O-N 3.47Å; I248-I252 PolarHBondContact O-N 2.87Å
249D89.6Confident89.7Confident105 Ų10572.7 Ų72.756%0.56138%0.384SS*.Hα-helixtrans-54.3-32.8177.8-61.50.7000112.6H215 I252 T253H215-D249 IonicContact CE1-OD1 3.45Å; H215-D249 PolarHBondContact CE1-OD1 2.92Å; H215-D249 IonicContact NE2-OD1 3.02Å; H215-D249 PolarHBondContact NE2-OD1 3.31Å; D249-I252 PolarHBondContact O-N 3.11Å; D249-T253 WeakPolarHBondContact O-CB 3.34Å; D249-T253 PolarHBondContact O-N 2.89Å; D249-T253 PolarHBondContact O-OG1 2.94Å
250E91.4Very high90.2Very high154 Ų15475.6 Ų75.672%0.7240%0.399SS*.Hα-helixtrans-61.5-42.4174.5-65.6-178-177.600111.9I248 T253 M254I248-E250 HydrophobicContact CG2-CB 4.43Å; I248-E250 HydrophobicContact CG2-CG 4.49Å; I248-E250 PolarHBondContact O-N 2.92Å; I248-E250 VanDerWaalsContact O-N 3.14Å; E250-T253 PolarHBondContact O-N 3.14Å; E250-M254 PolarHBondContact O-N 2.89Å
251D91.8Very high90.7Very high65 Ų6573.6 Ų73.635%0.34839%0.387SS..Hα-helixtrans-66.8-41177.6-64.6-43.7000111.2V247 I248 T253 M254 I255V247-D251 HydrophobicContact CB-CB 4.29Å; I248-D251 PolarHBondContact N-OD2 3.29Å; I248-D251 WeakPolarHBondContact O-CB 3.42Å; I248-D251 PolarHBondContact O-N 3.47Å; D251-T253 VanDerWaalsContact C-N 3.34Å; D251-M254 PolarHBondContact O-N 3.09Å; D251-I255 VanDerWaalsContact O-CG1 3.31Å; D251-I255 WeakPolarHBondContact O-CG1 3.45Å; D251-I255 PolarHBondContact O-N 3.19Å
252I91.7Very high91.2Very high8 Ų867.7 Ų67.74%0.04135%0.351CS..Hα-helixtrans-66.2-39.7177.2-62.3-156000111H215 V247 I248 D249 M254 I255 N256H215-I252 HydrophobicContact CB-CD1 4.1Å; H215-I252 WeakPolarHBondContact CE1-CD1 3.29Å; H215-I252 WeakPolarHBondContact ND1-CD1 3.39Å; V247-I252 HydrophobicContact CG2-CD1 3.65Å; V247-I252 HydrophobicContact CG2-CG1 3.52Å; I248-I252 PolarHBondContact O-N 2.87Å; D249-I252 PolarHBondContact O-N 3.11Å; I252-M254 VanDerWaalsContact C-N 3.34Å; I252-M254 PolarHBondContact O-N 3.19Å; I252-I255 PolarHBondContact O-N 3.36Å; I252-N256 WeakPolarHBondContact O-CB 3.32Å; I252-N256 PolarHBondContact O-N 2.96Å; I252-N256 PolarHBondContact O-ND2 3.2Å
253T93.1Very high91.7Very high75 Ų7569.1 Ų69.146%0.4636%0.358SS..Hα-helixtrans-59.9-46.9175.8-56.80000110.4D249 E250 D251 I255 N256 E257D249-T253 WeakPolarHBondContact O-CB 3.34Å; D249-T253 PolarHBondContact O-N 2.89Å; D249-T253 PolarHBondContact O-OG1 2.94Å; E250-T253 PolarHBondContact O-N 3.14Å; D251-T253 VanDerWaalsContact C-N 3.34Å; T253-I255 PolarHBondContact O-N 3.47Å; T253-N256 WeakPolarHBondContact O-CB 3.4Å; T253-N256 PolarHBondContact O-N 3.27Å; T253-E257 WeakPolarHBondContact O-CG 3.39Å; T253-E257 PolarHBondContact O-N 3.45Å
254M93.4Very high92.2Very high87 Ų8767.9 Ų67.943%0.42935%0.348SS..Hα-helixtrans-60.9-41.1174.7178.3-174.149.800112.7M188 E250 D251 I252 N256 E257 L258M188-M254 HydrophobicContact CE-CE 3.16Å; M188-M254 HydrophobicContact CE-CG 4.3Å; M188-M254 HydrophobicContact CE-SD 3.85Å; E250-M254 PolarHBondContact O-N 2.89Å; D251-M254 PolarHBondContact O-N 3.09Å; I252-M254 VanDerWaalsContact C-N 3.34Å; I252-M254 PolarHBondContact O-N 3.19Å; M254-N256 VanDerWaalsContact C-N 3.34Å; M254-E257 PolarHBondContact O-N 3.48Å; M254-L258 PolarHBondContact O-N 2.95Å; M254-L258 VanDerWaalsContact O-N 3.1Å
255I94.3Very high92.6Very high6 Ų668 Ų683%0.03135%0.347CS..Hα-helixtrans-64.8-39.8176.4-69.3167.1000110.9M188 Y189 V210 D251 I252 T253 L258 C259M188-I255 HydrophobicContact CB-CD1 4.15Å; M188-I255 HydrophobicContact CB-CG1 4.09Å; M188-I255 HydrophobicContact CE-CG1 4.04Å; Y189-I255 HydrophobicContact CD2-CD1 4.24Å; Y189-I255 HydrophobicContact CD2-CG2 4.25Å; V210-I255 HydrophobicContact CG1-CG2 3.77Å; D251-I255 VanDerWaalsContact O-CG1 3.31Å; D251-I255 WeakPolarHBondContact O-CG1 3.45Å; D251-I255 PolarHBondContact O-N 3.19Å; I252-I255 PolarHBondContact O-N 3.36Å; T253-I255 PolarHBondContact O-N 3.47Å; I255-L258 PolarHBondContact O-N 3.46Å; I255-C259 PolarHBondContact O-N 3.34Å; I255-C259 PolarHBondContact O-SG 3.4Å
256N94Very high93Very high41 Ų4165.6 Ų65.622%0.21933%0.334CS..Hα-helixtrans-63.8-41.3176.8-76.8-29.5000111.8I252 T253 M254 L258 C259 D260I252-N256 WeakPolarHBondContact O-CB 3.32Å; I252-N256 PolarHBondContact O-N 2.96Å; I252-N256 PolarHBondContact O-ND2 3.2Å; T253-N256 WeakPolarHBondContact O-CB 3.4Å; T253-N256 PolarHBondContact O-N 3.27Å; M254-N256 VanDerWaalsContact C-N 3.34Å; N256-L258 VanDerWaalsContact C-N 3.34Å; N256-L258 PolarHBondContact O-N 2.88Å; N256-C259 WeakPolarHBondContact O-CB 3.44Å; N256-C259 PolarHBondContact O-N 3.39Å; N256-C259 VanDerWaalsContact O-N 3.15Å; N256-D260 PolarHBondContact O-N 3.14Å
257E94.8Very high93.4Very high116 Ų11659.3 Ų59.354%0.54231%0.312SS..Hα-helixtrans-60.5-42.2173.5-71.1178.7-179.800111.9T253 M254 C259 D260 Q261T253-E257 WeakPolarHBondContact O-CG 3.39Å; T253-E257 PolarHBondContact O-N 3.45Å; M254-E257 PolarHBondContact O-N 3.48Å; E257-C259 VanDerWaalsContact C-N 3.32Å; E257-C259 PolarHBondContact O-N 3.46Å; E257-D260 WeakPolarHBondContact O-CB 3.23Å; E257-D260 PolarHBondContact O-N 3.48Å; E257-Q261 WeakPolarHBondContact O-CG 3.46Å; E257-Q261 PolarHBondContact O-N 2.83Å
258L94.6Very high93.9Very high19 Ų1960.3 Ų60.310%0.09932%0.32CS..Hα-helixtrans-63.9-38.8174.2-179.461.9000111.7Y181 R184 A185 M188 M254 I255 N256 D260 Q261 V262Y181-L258 HydrophobicContact CD1-CD1 4.17Å; Y181-L258 HydrophobicContact CG-CD1 4.21Å; R184-L258 HydrophobicContact CB-CD2 4.19Å; R184-L258 HydrophobicContact CG-CD2 3.98Å; A185-L258 HydrophobicContact CB-CD2 3.85Å; A185-L258 HydrophobicContact CB-CG 4.33Å; M188-L258 HydrophobicContact SD-CD2 4.17Å; M254-L258 PolarHBondContact O-N 2.95Å; M254-L258 VanDerWaalsContact O-N 3.1Å; I255-L258 PolarHBondContact O-N 3.46Å; N256-L258 VanDerWaalsContact C-N 3.34Å; N256-L258 PolarHBondContact O-N 2.88Å; L258-D260 VanDerWaalsContact C-N 3.3Å; L258-D260 PolarHBondContact O-N 2.76Å; L258-Q261 PolarHBondContact O-N 3.18Å; L258-V262 WeakPolarHBondContact O-CG2 3.36Å; L258-V262 PolarHBondContact O-N 2.81Å; L258-V262 VanDerWaalsContact O-N 3.1Å
259C95.2Very high94.1Very high0 Ų058.8 Ų58.80%031%0.307CS..Hα-helixtrans-62.3-39.4174.2-66.60000111.5V207 K211 I255 N256 E257 V262 L263V207-C259 HydrophobicContact CG1-CB 3.56Å; K211-C259 HydrophobicContact CB-CB 4.13Å; I255-C259 PolarHBondContact O-N 3.34Å; I255-C259 PolarHBondContact O-SG 3.4Å; N256-C259 WeakPolarHBondContact O-CB 3.44Å; N256-C259 PolarHBondContact O-N 3.39Å; N256-C259 VanDerWaalsContact O-N 3.15Å; E257-C259 VanDerWaalsContact C-N 3.32Å; E257-C259 PolarHBondContact O-N 3.46Å; C259-V262 PolarHBondContact O-N 3.43Å; C259-L263 VanDerWaalsContact O-CG 3.31Å; C259-L263 WeakPolarHBondContact O-CG 3.41Å; C259-L263 PolarHBondContact O-N 2.9Å
260D95.9Very high94.4Very high68 Ų6857.2 Ų57.236%0.36430%0.301SS..Hα-helixtrans-63-44.3176.1-75.8-21.7000112.1K211 N256 E257 L258 V262 L263 E264K211-D260 WeakPolarHBondContact CD-OD1 3.44Å; K211-D260 WeakPolarHBondContact CE-OD1 3.5Å; K211-D260 IonicContact NZ-OD1 3.84Å; K211-D260 PolarHBondContact NZ-OD1 3.23Å; K211-D260 IonicContact NZ-OD2 2.95Å; N256-D260 PolarHBondContact O-N 3.14Å; E257-D260 WeakPolarHBondContact O-CB 3.23Å; E257-D260 PolarHBondContact O-N 3.48Å; L258-D260 VanDerWaalsContact C-N 3.3Å; L258-D260 PolarHBondContact O-N 2.76Å; D260-V262 VanDerWaalsContact C-N 3.31Å; D260-V262 PolarHBondContact O-N 3.47Å; D260-L263 PolarHBondContact O-N 3.48Å; D260-E264 WeakPolarHBondContact O-CB 3.39Å; D260-E264 PolarHBondContact O-N 2.84Å
261Q95.6Very high94.6Very high96 Ų9656.3 Ų56.345%0.44930%0.297SS..Hα-helixtrans-58.7-41.9174.6-68.9173.8-1.100112E257 L258 A265E257-Q261 WeakPolarHBondContact O-CG 3.46Å; E257-Q261 PolarHBondContact O-N 2.83Å; L258-Q261 PolarHBondContact O-N 3.18Å; Q261-A265 VanDerWaalsContact O-CB 3.27Å; Q261-A265 WeakPolarHBondContact O-CB 3.46Å; Q261-A265 PolarHBondContact O-N 3.37Å
262V95.6Very high94.8Very high0 Ų054.2 Ų54.20%029%0.286CS..Hα-helixtrans-63-45.4175.9171.60000111.5Y181 I182 V207 L258 C259 D260 A265 S266Y181-V262 VanDerWaalsContact CB-CG2 3.45Å; Y181-V262 HydrophobicContact CG-CG2 4.48Å; I182-V262 HydrophobicContact CD1-CG1 3.85Å; I182-V262 HydrophobicContact CG1-CG1 3.58Å; I182-V262 HydrophobicContact CG1-CG2 4.05Å; V207-V262 HydrophobicContact CB-CG1 4.41Å; V207-V262 HydrophobicContact CG1-CB 4.1Å; V207-V262 HydrophobicContact CG1-CG1 4.1Å; V207-V262 HydrophobicContact CG2-CG1 4.15Å; L258-V262 WeakPolarHBondContact O-CG2 3.36Å; L258-V262 PolarHBondContact O-N 2.81Å; L258-V262 VanDerWaalsContact O-N 3.1Å; C259-V262 PolarHBondContact O-N 3.43Å; D260-V262 VanDerWaalsContact C-N 3.31Å; D260-V262 PolarHBondContact O-N 3.47Å; V262-A265 PolarHBondContact O-N 2.98Å; V262-S266 VanDerWaalsContact O-CB 3.31Å; V262-S266 WeakPolarHBondContact O-CB 3.31Å; V262-S266 PolarHBondContact O-N 3.42Å
263L94.7Very high94.9Very high41 Ų4156.6 Ų56.622%0.21530%0.297CS..Hα-helixtrans-66.7-40.5-178.8-68.6174000111.5V207 K208 K211 C259 D260 S266 A267V207-L263 HydrophobicContact CG1-CG 4.31Å; K208-L263 HydrophobicContact CD-CD2 4.44Å; K208-L263 HydrophobicContact CG-CD2 3.67Å; K211-L263 HydrophobicContact CD-CD1 3.9Å; C259-L263 VanDerWaalsContact O-CG 3.31Å; C259-L263 WeakPolarHBondContact O-CG 3.41Å; C259-L263 PolarHBondContact O-N 2.9Å; D260-L263 PolarHBondContact O-N 3.48Å; L263-S266 PolarHBondContact O-N 3.15Å; L263-A267 WeakPolarHBondContact O-CB 3.34Å; L263-A267 PolarHBondContact O-N 3.34Å
264E95.8Very high95Very high134 Ų13456.6 Ų56.663%0.62629%0.294SS*.Hα-helixtrans-64-44.9174.7-174.2176.6-171.900111.7D260 S266 A267 S268D260-E264 WeakPolarHBondContact O-CB 3.39Å; D260-E264 PolarHBondContact O-N 2.84Å; E264-S266 VanDerWaalsContact C-N 3.35Å; E264-S266 PolarHBondContact O-N 3.07Å; E264-A267 PolarHBondContact O-N 3.23Å; E264-S268 WeakPolarHBondContact O-CB 3.15Å; E264-S268 PolarHBondContact O-N 3.18Å; E264-S268 PolarHBondContact O-OG 3.43Å
265A94.7Very high95.1Very high15 Ų1556.4 Ų56.412%0.12429%0.289CS..Hα-helixtrans-62.6-41.2175.600000111.7I178 Q261 V262 S268 R269I178-A265 HydrophobicContact CD1-CB 4.3Å; I178-A265 HydrophobicContact CG1-CB 3.72Å; Q261-A265 VanDerWaalsContact O-CB 3.27Å; Q261-A265 WeakPolarHBondContact O-CB 3.46Å; Q261-A265 PolarHBondContact O-N 3.37Å; V262-A265 PolarHBondContact O-N 2.98Å; A265-S268 PolarHBondContact O-N 3.25Å; A265-R269 VanDerWaalsContact O-CB 3.29Å; A265-R269 WeakPolarHBondContact O-CB 3.32Å; A265-R269 PolarHBondContact O-N 3.18Å
266S94.7Very high95.1Very high27 Ų2756.2 Ų56.219%0.18929%0.288CS..Hα-helixtrans-64.3-41.1176.2-171.40000112.6V262 L263 E264 R269 T270V262-S266 VanDerWaalsContact O-CB 3.31Å; V262-S266 WeakPolarHBondContact O-CB 3.31Å; V262-S266 PolarHBondContact O-N 3.42Å; L263-S266 PolarHBondContact O-N 3.15Å; E264-S266 VanDerWaalsContact C-N 3.35Å; E264-S266 PolarHBondContact O-N 3.07Å; S266-R269 PolarHBondContact O-N 2.77Å; S266-T270 PolarHBondContact O-N 3.05Å; S266-T270 VanDerWaalsContact O-N 3.12Å; S266-T270 PolarHBondContact O-OG1 3.5Å
267A95.1Very high95Very high47 Ų4756.7 Ų56.739%0.38829%0.29SS..Hα-helixtrans-64.7-45.7174.300000111.1L263 E264 R269 T270 Q271L263-A267 WeakPolarHBondContact O-CB 3.34Å; L263-A267 PolarHBondContact O-N 3.34Å; E264-A267 PolarHBondContact O-N 3.23Å; A267-R269 VanDerWaalsContact C-N 3.32Å; A267-R269 PolarHBondContact O-N 2.69Å; A267-T270 WeakPolarHBondContact O-CB 3.18Å; A267-T270 PolarHBondContact O-N 3.08Å; A267-T270 VanDerWaalsContact O-N 3.11Å; A267-Q271 WeakPolarHBondContact O-CG 3.24Å; A267-Q271 PolarHBondContact O-N 3.37Å
268S95.1Very high95Very high49 Ų4958.6 Ų58.634%0.34330%0.297SS..Hα-helixtrans-60.3-41.1176.8-61.70000112E264 A265 T270 Q271 L272E264-S268 WeakPolarHBondContact O-CB 3.15Å; E264-S268 PolarHBondContact O-N 3.18Å; E264-S268 PolarHBondContact O-OG 3.43Å; A265-S268 PolarHBondContact O-N 3.25Å; S268-T270 VanDerWaalsContact C-N 3.31Å; S268-T270 PolarHBondContact O-N 2.86Å; S268-Q271 PolarHBondContact O-N 2.87Å; S268-L272 WeakPolarHBondContact O-CB 3.29Å; S268-L272 PolarHBondContact O-N 3.17Å
269R95.5Very high94.9Very high82 Ų8262.5 Ų62.531%0.30931%0.31SS..Hα-helixtrans-61.8-37.2174.8-175.3-99.9-169.5-153.6-5112.4L174 D175 I178 A265 S266 A267 H273L174-R269 HydrophobicContact CB-CB 4.38Å; L174-R269 HydrophobicContact CB-CG 4.37Å; L174-R269 HydrophobicContact CD1-CB 4.06Å; D175-R269 IonicContact OD1-CZ 3.83Å; D175-R269 IonicContact OD1-NE 4Å; D175-R269 PolarHBondContact OD1-NE 3.1Å; D175-R269 IonicContact OD1-NH2 3.61Å; D175-R269 PolarHBondContact OD1-NH2 3.1Å; D175-R269 IonicContact OD2-NE 3.96Å; D175-R269 IonicContact OD2-NH2 2.57Å; D175-R269 PolarHBondContact OD2-NH2 3.06Å; I178-R269 HydrophobicContact CD1-CB 4.01Å; I178-R269 HydrophobicContact CD1-CG 4.26Å; A265-R269 VanDerWaalsContact O-CB 3.29Å; A265-R269 WeakPolarHBondContact O-CB 3.32Å; A265-R269 PolarHBondContact O-N 3.18Å; S266-R269 PolarHBondContact O-N 2.77Å; A267-R269 VanDerWaalsContact C-N 3.32Å; A267-R269 PolarHBondContact O-N 2.69Å; R269-H273 PolarHBondContact O-N 2.78Å; R269-H273 VanDerWaalsContact O-N 3.07Å
270T95.2Very high94.8Very high71 Ų7162.5 Ų62.544%0.43631%0.31SS..Hα-helixtrans-68.8-45.1174.8-55.80000111.5S266 A267 S268 L272 H273 D274S266-T270 PolarHBondContact O-N 3.05Å; S266-T270 VanDerWaalsContact O-N 3.12Å; S266-T270 PolarHBondContact O-OG1 3.5Å; A267-T270 WeakPolarHBondContact O-CB 3.18Å; A267-T270 PolarHBondContact O-N 3.08Å; A267-T270 VanDerWaalsContact O-N 3.11Å; S268-T270 VanDerWaalsContact C-N 3.31Å; S268-T270 PolarHBondContact O-N 2.86Å; T270-L272 VanDerWaalsContact C-N 3.3Å; T270-L272 PolarHBondContact O-N 3.2Å; T270-H273 WeakPolarHBondContact O-CB 3.47Å; T270-H273 PolarHBondContact O-N 3.2Å; T270-D274 PolarHBondContact O-N 2.98Å; T270-D274 VanDerWaalsContact O-N 3.08Å
271Q95.8Very high94.6Very high135 Ų13562.9 Ų62.963%0.63132%0.315SS*.Hα-helixtrans-60.7-40.1175.2-67176.111.800112.1A267 S268 H273 D274 Y275A267-Q271 WeakPolarHBondContact O-CG 3.24Å; A267-Q271 PolarHBondContact O-N 3.37Å; S268-Q271 PolarHBondContact O-N 2.87Å; Q271-H273 VanDerWaalsContact C-N 3.33Å; Q271-H273 PolarHBondContact O-N 3.16Å; Q271-D274 PolarHBondContact O-N 3.14Å; Q271-Y275 WeakPolarHBondContact O-CB 3.5Å; Q271-Y275 PolarHBondContact O-N 2.88Å
272L95.4Very high94.3Very high22 Ų2262 Ų6212%0.11532%0.324CS..Hα-helixtrans-64.5-38.2176.6-175.662.1000111.9A167 L170 M171 L174 S268 T270 Y275 L276A167-L272 HydrophobicContact CB-CD1 3.94Å; L170-L272 HydrophobicContact CB-CD2 3.98Å; L170-L272 HydrophobicContact CD2-CD1 4.3Å; L170-L272 HydrophobicContact CD2-CD2 3.85Å; L170-L272 HydrophobicContact CG-CD2 3.74Å; M171-L272 HydrophobicContact CB-CD2 3.96Å; M171-L272 HydrophobicContact CE-CG 4.43Å; L174-L272 HydrophobicContact CD1-CD2 3.93Å; S268-L272 WeakPolarHBondContact O-CB 3.29Å; S268-L272 PolarHBondContact O-N 3.17Å; T270-L272 VanDerWaalsContact C-N 3.3Å; T270-L272 PolarHBondContact O-N 3.2Å; L272-Y275 HydrophobicContact CD1-CD1 4.22Å; L272-Y275 PolarHBondContact O-N 3.11Å; L272-L276 WeakPolarHBondContact O-CB 3.4Å; L272-L276 PolarHBondContact O-N 3.39Å
273H95.5Very high94Very high58 Ų5863.3 Ų63.327%0.26933%0.332SS..Hα-helixtrans-63.4-45.2174.5-178.4-95.7000111.8M171 R269 T270 Q271 Y275 L276 I277M171-H273 HydrophobicContact CE-CB 4.29Å; R269-H273 PolarHBondContact O-N 2.78Å; R269-H273 VanDerWaalsContact O-N 3.07Å; T270-H273 WeakPolarHBondContact O-CB 3.47Å; T270-H273 PolarHBondContact O-N 3.2Å; Q271-H273 VanDerWaalsContact C-N 3.33Å; Q271-H273 PolarHBondContact O-N 3.16Å; H273-Y275 VanDerWaalsContact C-N 3.35Å; H273-Y275 PolarHBondContact O-N 2.99Å; H273-L276 WeakPolarHBondContact O-CB 3.12Å; H273-L276 PolarHBondContact O-N 3.24Å; H273-L276 VanDerWaalsContact O-N 3.17Å; H273-I277 WeakPolarHBondContact CE1-CD1 3.35Å; H273-I277 WeakPolarHBondContact ND1-CD1 3.37Å; H273-I277 WeakPolarHBondContact O-CG1 3.21Å; H273-I277 PolarHBondContact O-N 2.86Å
274D95.2Very high93.9Very high75 Ų7561.4 Ų61.440%0.40132%0.322SS..Hα-helixtrans-65.2-38.9176.9-70-17.5000112.5T270 Q271 L276 I277 K278T270-D274 PolarHBondContact O-N 2.98Å; T270-D274 VanDerWaalsContact O-N 3.08Å; Q271-D274 PolarHBondContact O-N 3.14Å; D274-L276 VanDerWaalsContact C-N 3.34Å; D274-I277 PolarHBondContact O-N 3.1Å; D274-K278 WeakPolarHBondContact O-CG 3.33Å; D274-K278 PolarHBondContact O-N 3.39Å; D274-K278 VanDerWaalsContact O-N 3.17Å
275Y94Very high93.8Very high83 Ų8356.7 Ų56.733%0.32530%0.303SS..Hα-helixtrans-58.8-46.5171.2169.5-98.4000111.2A167 Q271 L272 H273 K278 R279A167-Y275 HydrophobicContact CB-CD1 4.31Å; A167-Y275 HydrophobicContact CB-CE1 4.11Å; Q271-Y275 WeakPolarHBondContact O-CB 3.5Å; Q271-Y275 PolarHBondContact O-N 2.88Å; L272-Y275 HydrophobicContact CD1-CD1 4.22Å; L272-Y275 PolarHBondContact O-N 3.11Å; H273-Y275 VanDerWaalsContact C-N 3.35Å; H273-Y275 PolarHBondContact O-N 2.99Å; Y275-K278 PolarHBondContact O-N 2.95Å; Y275-R279 HydrophobicContact CD1-CG 4.5Å; Y275-R279 HydrophobicContact CD2-CG 4.21Å; Y275-R279 HydrophobicContact CE1-CG 4.03Å; Y275-R279 HydrophobicContact CE2-CG 3.7Å; Y275-R279 WeakPolarHBondContact O-CB 3.36Å; Y275-R279 WeakPolarHBondContact O-CG 3.45Å; Y275-R279 PolarHBondContact O-N 3.18Å; Y275-R279 PolarHBondContact OH-NE 3.28Å
276L94.1Very high93.8Very high2 Ų256 Ų561%0.0130%0.297CS..Hα-helixtrans-61.1-46.2179.7-17371.3000111.3I164 A167 V168 M171 L272 H273 D274 K278 R279 M280 L294 A297I164-L276 HydrophobicContact CG2-CD1 3.85Å; A167-L276 HydrophobicContact CB-CD1 4.07Å; V168-L276 HydrophobicContact CG2-CD1 4.05Å; V168-L276 HydrophobicContact CG2-CD2 4.19Å; M171-L276 HydrophobicContact CE-CB 4.28Å; M171-L276 HydrophobicContact CE-CD2 3.56Å; L272-L276 WeakPolarHBondContact O-CB 3.4Å; L272-L276 PolarHBondContact O-N 3.39Å; H273-L276 WeakPolarHBondContact O-CB 3.12Å; H273-L276 PolarHBondContact O-N 3.24Å; H273-L276 VanDerWaalsContact O-N 3.17Å; D274-L276 VanDerWaalsContact C-N 3.34Å; L276-K278 PolarHBondContact O-N 3.47Å; L276-R279 PolarHBondContact O-N 3.43Å; L276-M280 WeakPolarHBondContact O-CB 3.48Å; L276-M280 PolarHBondContact O-N 2.87Å; L276-L294 HydrophobicContact CD2-CD1 4.03Å; L276-A297 HydrophobicContact CD1-CB 3.89Å; L276-A297 HydrophobicContact CD2-CB 3.86Å; L276-A297 HydrophobicContact CG-CB 4.13Å
277I93.6Very high93.8Very high51 Ų5154.8 Ų54.826%0.26229%0.289SS..Hα-helixtrans-55.7-54177.5-70166.5000110.5H273 D274 R279 M280 V281 E293H273-I277 WeakPolarHBondContact CE1-CD1 3.35Å; H273-I277 WeakPolarHBondContact ND1-CD1 3.37Å; H273-I277 WeakPolarHBondContact O-CG1 3.21Å; H273-I277 PolarHBondContact O-N 2.86Å; D274-I277 PolarHBondContact O-N 3.1Å; I277-R279 VanDerWaalsContact C-N 3.31Å; I277-R279 PolarHBondContact O-N 3.02Å; I277-M280 PolarHBondContact O-N 3.43Å; I277-V281 WeakPolarHBondContact O-CG2 3.47Å; I277-V281 PolarHBondContact O-N 2.96Å; I277-E293 HydrophobicContact CB-CG 4.36Å; I277-E293 HydrophobicContact CG1-CB 4.12Å; I277-E293 HydrophobicContact CG1-CG 4.02Å; I277-E293 HydrophobicContact CG2-CG 4.12Å
278K93.3Very high93.8Very high156 Ų15652.9 Ų52.968%0.67827%0.272SS*.Hα-helixtrans-60.5-42-177.2-69.5171.2-174.7171.50111.7D274 Y275 L276 A282D274-K278 WeakPolarHBondContact O-CG 3.33Å; D274-K278 PolarHBondContact O-N 3.39Å; D274-K278 VanDerWaalsContact O-N 3.17Å; Y275-K278 PolarHBondContact O-N 2.95Å; L276-K278 PolarHBondContact O-N 3.47Å; K278-A282 PolarHBondContact O-N 2.92Å
279R92Very high93.8Very high101 Ų10151.9 Ų51.938%0.38127%0.267SS..Hα-helixtrans-68.1-42.5177.7-79.6-66.8-170.6-175.4-2.7112.6I164 Y275 L276 I277 A282 V283I164-R279 HydrophobicContact CG1-CB 4.33Å; Y275-R279 HydrophobicContact CD1-CG 4.5Å; Y275-R279 HydrophobicContact CD2-CG 4.21Å; Y275-R279 HydrophobicContact CE1-CG 4.03Å; Y275-R279 HydrophobicContact CE2-CG 3.7Å; Y275-R279 WeakPolarHBondContact O-CB 3.36Å; Y275-R279 WeakPolarHBondContact O-CG 3.45Å; Y275-R279 PolarHBondContact O-N 3.18Å; Y275-R279 PolarHBondContact OH-NE 3.28Å; L276-R279 PolarHBondContact O-N 3.43Å; I277-R279 VanDerWaalsContact C-N 3.31Å; I277-R279 PolarHBondContact O-N 3.02Å; R279-A282 PolarHBondContact O-N 3.01Å; R279-V283 WeakPolarHBondContact O-CB 3.27Å; R279-V283 WeakPolarHBondContact O-CG2 3.33Å; R279-V283 PolarHBondContact O-N 3.46Å
280M93.5Very high93.7Very high0 Ų048 Ų480%025%0.252CS..Hα-helixtrans-66.7-39.7-176.3-171.259.7-164.200111.5I164 L276 I277 A282 V283 A284 L287 T288 G296 A297 I300I164-M280 HydrophobicContact CD1-SD 4.22Å; I164-M280 HydrophobicContact CG2-SD 4.44Å; L276-M280 WeakPolarHBondContact O-CB 3.48Å; L276-M280 PolarHBondContact O-N 2.87Å; I277-M280 PolarHBondContact O-N 3.43Å; M280-A282 VanDerWaalsContact C-N 3.34Å; M280-A282 PolarHBondContact O-N 3.41Å; M280-V283 PolarHBondContact O-N 3.45Å; M280-A284 HydrophobicContact CE-CB 3.82Å; M280-A284 CarbonylContact O-C 3.51Å; M280-A284 WeakPolarHBondContact O-CA 3.45Å; M280-A284 PolarHBondContact O-N 2.94Å; M280-A284 HydrophobicContact SD-CB 4.35Å; M280-L287 HydrophobicContact CE-CB 4.35Å; M280-L287 HydrophobicContact CE-CD2 3.91Å; M280-L287 HydrophobicContact CE-CG 4.14Å; M280-T288 VanDerWaalsContact CG-OG1 3.31Å; M280-T288 WeakPolarHBondContact CG-OG1 3.41Å; M280-T288 PolarHBondContact O-OG1 3.49Å; M280-G296 VanDerWaalsContact CE-C 3.5Å; M280-A297 HydrophobicContact SD-CB 4.28Å; M280-I300 HydrophobicContact CE-CD1 3.72Å; M280-I300 HydrophobicContact SD-CD1 3.7Å
281V92.3Very high93.6Very high75 Ų7545.1 Ų45.146%0.45523%0.234SC..Hα-helixtrans-63.3-39.1172.4174.50000111.9I277 P285 T288I277-V281 WeakPolarHBondContact O-CG2 3.47Å; I277-V281 PolarHBondContact O-N 2.96Å; V281-P285 WeakPolarHBondContact O-CB 3.2Å; V281-T288 HydrophobicContact CG2-CG2 4.01Å
282A89.6Confident93.5Very high79 Ų7939.4 Ų39.465%0.65321%0.212SC*.Hα-helixtrans-72-34179.900000113.4K278 R279 M280K278-A282 PolarHBondContact O-N 2.92Å; R279-A282 PolarHBondContact O-N 3.01Å; M280-A282 VanDerWaalsContact C-N 3.34Å; M280-A282 PolarHBondContact O-N 3.41Å
283V89.8Confident93.3Very high27 Ų2742.1 Ų42.116%0.16422%0.224CC..Hα-helixtrans-92.8-39.4-174.6173.50000112.4I160 D161 I164 R279 M280 L306I160-V283 HydrophobicContact CG2-CG2 3.5Å; D161-V283 HydrophobicContact CB-CG1 4.37Å; I164-V283 HydrophobicContact CD1-CB 3.79Å; I164-V283 HydrophobicContact CD1-CG1 3.91Å; I164-V283 HydrophobicContact CD1-CG2 3.92Å; R279-V283 WeakPolarHBondContact O-CB 3.27Å; R279-V283 WeakPolarHBondContact O-CG2 3.33Å; R279-V283 PolarHBondContact O-N 3.46Å; M280-V283 PolarHBondContact O-N 3.45Å; V283-L306 HydrophobicContact CG1-CD2 3.86Å
284A92.7Very high93.2Very high0 Ų041.5 Ų41.50%022%0.222CC..  trans-14167.9-174.600000111.6M280 N286 L287 T288 I300 L306 D374M280-A284 HydrophobicContact CE-CB 3.82Å; M280-A284 CarbonylContact O-C 3.51Å; M280-A284 WeakPolarHBondContact O-CA 3.45Å; M280-A284 PolarHBondContact O-N 2.94Å; M280-A284 HydrophobicContact SD-CB 4.35Å; A284-N286 VanDerWaalsContact C-N 3.35Å; A284-N286 PolarHBondContact O-N 3.23Å; A284-L287 HydrophobicContact CB-CB 4.1Å; A284-L287 PolarHBondContact O-N 3.1Å; A284-T288 VanDerWaalsContact O-CB 3.31Å; A284-T288 WeakPolarHBondContact O-CB 3.12Å; A284-T288 PolarHBondContact O-N 3.37Å; A284-T288 PolarHBondContact O-OG1 2.68Å; A284-I300 HydrophobicContact CB-CD1 4.47Å; A284-L306 HydrophobicContact CB-CD1 4.3Å; A284-L306 HydrophobicContact CB-CD2 4.21Å; A284-D374 VanDerWaalsContact C-OD2 3.29Å; A284-D374 WeakPolarHBondContact CA-OD2 3.47Å; A284-D374 HydrophobicContact CB-CB 4.12Å
285P93.3Very high93.1Very high35 Ų3538.5 Ų38.523%0.22721%0.206CC..Hα-helixtrans-62-39.5-176.323.6-33000112.5V281 T288 A289 T383V281-P285 WeakPolarHBondContact O-CB 3.2Å; P285-T288 PolarHBondContact O-N 3.03Å; P285-A289 WeakPolarHBondContact O-CB 3.4Å; P285-A289 PolarHBondContact O-N 3.27Å; P285-T383 HydrophobicContact CG-CG2 4.05Å
286N94.8Very high93.2Very high2 Ų234.6 Ų34.61%0.01119%0.191CC..Hα-helixtrans-70.8-42.7-177.9-69.4-66.3000112A284 T288 L290 D374 D382 T383 M385 G386A284-N286 VanDerWaalsContact C-N 3.35Å; A284-N286 PolarHBondContact O-N 3.23Å; N286-T288 VanDerWaalsContact C-N 3.35Å; N286-L290 WeakPolarHBondContact O-CB 3.34Å; N286-L290 PolarHBondContact O-N 3.04Å; N286-D374 VanDerWaalsContact CB-OD1 3.26Å; N286-D374 WeakPolarHBondContact CB-OD1 3.36Å; N286-D374 WeakPolarHBondContact CB-OD2 3.45Å; N286-D374 PolarHBondContact N-OD1 2.92Å; N286-D374 PolarHBondContact N-OD2 2.84Å; N286-D374 PolarHBondContact ND2-OD1 2.98Å; N286-D382 PolarHBondContact ND2-O 3.09Å; N286-D382 PolarHBondContact OD1-O 3.05Å; N286-T383 VanDerWaalsContact OD1-C 3.24Å; N286-T383 PolarHBondContact OD1-O 3.36Å; N286-M385 WeakPolarHBondContact OD1-CB 3.48Å; N286-M385 PolarHBondContact OD1-N 2.87Å; N286-M385 VanDerWaalsContact OD1-N 3.1Å; N286-G386 WeakPolarHBondContact O-CA 3.24Å; N286-G386 PolarHBondContact OD1-N 3.44Å
287L94.9Very high93.2Very high1 Ų134.5 Ų34.51%0.00519%0.19CC..Hα-helixtrans-63-44.9175.8-176.260.5000110.5M280 A284 A289 L290 V291 L299 I300 L309 A367 D374M280-L287 HydrophobicContact CE-CB 4.35Å; M280-L287 HydrophobicContact CE-CD2 3.91Å; M280-L287 HydrophobicContact CE-CG 4.14Å; A284-L287 HydrophobicContact CB-CB 4.1Å; A284-L287 PolarHBondContact O-N 3.1Å; L287-A289 PolarHBondContact O-N 3.4Å; L287-L290 PolarHBondContact O-N 2.9Å; L287-V291 HydrophobicContact CD1-CG1 4.48Å; L287-V291 HydrophobicContact CD1-CG2 3.86Å; L287-V291 HydrophobicContact CG-CG2 4.1Å; L287-V291 WeakPolarHBondContact O-CG2 3.2Å; L287-V291 PolarHBondContact O-N 3.01Å; L287-L299 HydrophobicContact CD1-CD1 4.44Å; L287-I300 HydrophobicContact CD2-CD1 4.28Å; L287-I300 HydrophobicContact CD2-CG1 4.23Å; L287-L309 HydrophobicContact CD2-CD2 3.78Å; L287-A367 HydrophobicContact CD1-CB 4Å; L287-D374 PolarHBondContact N-OD2 3.25Å
288T94.9Very high93.2Very high7 Ų735.5 Ų35.54%0.04319%0.191CC..Hα-helixtrans-57.7-50178-56.60000112.1M280 V281 A284 P285 N286 L290 G292 E293M280-T288 VanDerWaalsContact CG-OG1 3.31Å; M280-T288 WeakPolarHBondContact CG-OG1 3.41Å; M280-T288 PolarHBondContact O-OG1 3.49Å; V281-T288 HydrophobicContact CG2-CG2 4.01Å; A284-T288 VanDerWaalsContact O-CB 3.31Å; A284-T288 WeakPolarHBondContact O-CB 3.12Å; A284-T288 PolarHBondContact O-N 3.37Å; A284-T288 PolarHBondContact O-OG1 2.68Å; P285-T288 PolarHBondContact O-N 3.03Å; N286-T288 VanDerWaalsContact C-N 3.35Å; T288-L290 PolarHBondContact O-N 2.98Å; T288-G292 WeakPolarHBondContact O-CA 3.31Å; T288-G292 PolarHBondContact O-N 3.33Å; T288-E293 HydrophobicContact CG2-CB 4.33Å; T288-E293 HydrophobicContact CG2-CG 3.61Å
289A94Very high93.3Very high27 Ų2728 Ų2822%0.22316%0.158CC..Hα-helixtrans-59.7-32.7179.100000112.7P285 L287 I387 R390P285-A289 WeakPolarHBondContact O-CB 3.4Å; P285-A289 PolarHBondContact O-N 3.27Å; L287-A289 PolarHBondContact O-N 3.4Å; A289-I387 HydrophobicContact CB-CG1 4.05Å; A289-R390 WeakPolarHBondContact O-CD 3.36Å; A289-R390 PolarHBondContact O-NH1 2.8Å; A289-R390 VanDerWaalsContact O-NH1 3.11Å
290L94.1Very high93.4Very high2 Ų223.2 Ų23.21%0.0114%0.14CC..Hα-helixtrans-81.6-49.5-175.9-174.767.4000113.8N286 L287 T288 L363 K366 A367 A389 R390 L393N286-L290 WeakPolarHBondContact O-CB 3.34Å; N286-L290 PolarHBondContact O-N 3.04Å; L287-L290 PolarHBondContact O-N 2.9Å; T288-L290 PolarHBondContact O-N 2.98Å; L290-L363 HydrophobicContact CD1-CD1 4.01Å; L290-L363 HydrophobicContact CD2-CD1 4.12Å; L290-L363 HydrophobicContact CG-CD1 3.77Å; L290-K366 HydrophobicContact CD1-CB 4.42Å; L290-K366 HydrophobicContact CD2-CB 3.71Å; L290-A367 HydrophobicContact CD2-CB 3.93Å; L290-A367 VanDerWaalsContact CD2-N 3.29Å; L290-A389 HydrophobicContact CD1-CB 3.93Å; L290-R390 HydrophobicContact CD1-CB 4.1Å; L290-L393 HydrophobicContact CD1-CD1 3.83Å
291V93.6Very high93.5Very high10 Ų1024.5 Ų24.56%0.06115%0.151CC..Hα-helixtrans-110.8-11.9-172.8-58.90000114.2L287 L295 L299 L342 L363 A367L287-V291 HydrophobicContact CD1-CG1 4.48Å; L287-V291 HydrophobicContact CD1-CG2 3.86Å; L287-V291 HydrophobicContact CG-CG2 4.1Å; L287-V291 WeakPolarHBondContact O-CG2 3.2Å; L287-V291 PolarHBondContact O-N 3.01Å; V291-L295 HydrophobicContact CB-CD2 4.04Å; V291-L295 HydrophobicContact CB-CG 4.26Å; V291-L295 HydrophobicContact CG2-CG 4.38Å; V291-L299 HydrophobicContact CG2-CD1 4.24Å; V291-L342 HydrophobicContact CG1-CD2 4.2Å; V291-L363 HydrophobicContact CG1-CD1 4.01Å; V291-L363 HydrophobicContact CG1-CD2 4.28Å; V291-L363 HydrophobicContact CG1-CG 4.19Å; V291-A367 HydrophobicContact CG1-CB 4.35Å
292G93.2Very high93.5Very high15 Ų1527.4 Ų27.416%0.15515%0.153CC..  trans93164-170.900000113T288 G296T288-G292 WeakPolarHBondContact O-CA 3.31Å; T288-G292 PolarHBondContact O-N 3.33Å; G292-G296 PolarHBondContact O-N 3.09Å
293E92Very high93.7Very high78 Ų7824.3 Ų24.336%0.36413%0.128SC..Hα-helixtrans-66.6-56.4-171.8-57.773.4-166.900110.9I277 T288 G296 A297I277-E293 HydrophobicContact CB-CG 4.36Å; I277-E293 HydrophobicContact CG1-CB 4.12Å; I277-E293 HydrophobicContact CG1-CG 4.02Å; I277-E293 HydrophobicContact CG2-CG 4.12Å; T288-E293 HydrophobicContact CG2-CB 4.33Å; T288-E293 HydrophobicContact CG2-CG 3.61Å; E293-G296 PolarHBondContact O-N 3.14Å; E293-A297 WeakPolarHBondContact O-CB 3.5Å; E293-A297 PolarHBondContact O-N 3.13Å
294L92.1Very high93.7Very high46 Ų4624.6 Ų24.624%0.24114%0.136CC..Hα-helixtrans-67.1-42.3-175.1-176.559.7000112.1M171 L276 R298M171-L294 HydrophobicContact CE-CD1 4.39Å; M171-L294 HydrophobicContact SD-CD1 3.68Å; L276-L294 HydrophobicContact CD2-CD1 4.03Å; L294-R298 VanDerWaalsContact CD2-NH2 3.32Å; L294-R298 WeakPolarHBondContact O-CG 3.29Å; L294-R298 PolarHBondContact O-N 3.36Å
295L93.7Very high93.7Very high12 Ų1225.7 Ų25.76%0.06314%0.143CC..Hα-helixtrans-68.7-42178.1179.157.4000111.3V291 A297 R298 L299 L341 L342 A345V291-L295 HydrophobicContact CB-CD2 4.04Å; V291-L295 HydrophobicContact CB-CG 4.26Å; V291-L295 HydrophobicContact CG2-CG 4.38Å; L295-A297 VanDerWaalsContact C-N 3.34Å; L295-A297 PolarHBondContact O-N 3.37Å; L295-R298 PolarHBondContact O-N 3.34Å; L295-L299 WeakPolarHBondContact O-CG 3.44Å; L295-L299 PolarHBondContact O-N 3.25Å; L295-L341 HydrophobicContact CD1-CB 3.83Å; L295-L341 VanDerWaalsContact CD1-O 3.3Å; L295-L341 WeakPolarHBondContact CD1-O 3.5Å; L295-L342 HydrophobicContact CD2-CD2 4.44Å; L295-A345 HydrophobicContact CD2-CB 3.56Å
296G94.9Very high93.7Very high0 Ų024.3 Ų24.30%013%0.134CC..Hα-helixtrans-61-43.8175.700000111.9M280 G292 E293 R298 L299 I300M280-G296 VanDerWaalsContact CE-C 3.5Å; G292-G296 PolarHBondContact O-N 3.09Å; E293-G296 PolarHBondContact O-N 3.14Å; G296-R298 PolarHBondContact O-N 3.23Å; G296-L299 WeakPolarHBondContact O-CB 3.49Å; G296-L299 PolarHBondContact O-N 2.83Å; G296-I300 WeakPolarHBondContact O-CG1 3.32Å; G296-I300 PolarHBondContact O-N 3.21Å; G296-I300 VanDerWaalsContact O-N 3.08Å
297A94.5Very high93.5Very high0 Ų025.7 Ų25.70%014%0.142CC..Hα-helixtrans-61.4-42.6175.500000112.4I164 V168 L276 M280 E293 L295 L299 I300 A301I164-A297 HydrophobicContact CG2-CB 3.79Å; V168-A297 HydrophobicContact CG2-CB 3.51Å; L276-A297 HydrophobicContact CD1-CB 3.89Å; L276-A297 HydrophobicContact CD2-CB 3.86Å; L276-A297 HydrophobicContact CG-CB 4.13Å; M280-A297 HydrophobicContact SD-CB 4.28Å; E293-A297 WeakPolarHBondContact O-CB 3.5Å; E293-A297 PolarHBondContact O-N 3.13Å; L295-A297 VanDerWaalsContact C-N 3.34Å; L295-A297 PolarHBondContact O-N 3.37Å; A297-L299 VanDerWaalsContact C-N 3.35Å; A297-L299 PolarHBondContact O-N 3.47Å; A297-I300 PolarHBondContact O-N 2.94Å; A297-A301 WeakPolarHBondContact O-CB 3.2Å; A297-A301 PolarHBondContact O-N 3.33Å
298R94.9Very high93.4Very high72 Ų7228.7 Ų28.727%0.27216%0.158SC..Hα-helixtrans-63.6-36174.5-73179.5-168.9141.6-1.9113.3V168 L294 L295 G296 A301 R302 L341V168-R298 HydrophobicContact CG1-CG 3.9Å; L294-R298 VanDerWaalsContact CD2-NH2 3.32Å; L294-R298 WeakPolarHBondContact O-CG 3.29Å; L294-R298 PolarHBondContact O-N 3.36Å; L295-R298 PolarHBondContact O-N 3.34Å; G296-R298 PolarHBondContact O-N 3.23Å; R298-A301 PolarHBondContact O-N 2.84Å; R298-R302 WeakPolarHBondContact O-CB 3.11Å; R298-R302 PolarHBondContact O-N 3.02Å; R298-L341 HydrophobicContact CB-CD1 4.28Å
299L95.3Very high93.4Very high0 Ų028.4 Ų28.40%016%0.156CC..Hα-helixtrans-63.6-44.1174.8-69.8171.9000111.1L287 V291 L295 G296 A297 R302 A303 L309 L320 L341 L342L287-L299 HydrophobicContact CD1-CD1 4.44Å; V291-L299 HydrophobicContact CG2-CD1 4.24Å; L295-L299 WeakPolarHBondContact O-CG 3.44Å; L295-L299 PolarHBondContact O-N 3.25Å; G296-L299 WeakPolarHBondContact O-CB 3.49Å; G296-L299 PolarHBondContact O-N 2.83Å; A297-L299 VanDerWaalsContact C-N 3.35Å; A297-L299 PolarHBondContact O-N 3.47Å; L299-R302 PolarHBondContact O-N 2.86Å; L299-A303 WeakPolarHBondContact O-CB 3.38Å; L299-A303 PolarHBondContact O-N 2.73Å; L299-A303 VanDerWaalsContact O-N 3.1Å; L299-L309 HydrophobicContact CB-CD1 4.4Å; L299-L309 HydrophobicContact CB-CD2 4Å; L299-L320 HydrophobicContact CB-CD2 4.36Å; L299-L320 HydrophobicContact CD2-CB 4.28Å; L299-L320 HydrophobicContact CD2-CD2 3.77Å; L299-L320 WeakPolarHBondContact O-CD2 3.47Å; L299-L341 HydrophobicContact CD2-CB 4.17Å; L299-L341 HydrophobicContact CD2-CD1 4.22Å; L299-L342 HydrophobicContact CD1-CD2 3.91Å; L299-L342 HydrophobicContact CD2-CD2 4.35Å
300I94.3Very high93.3Very high0 Ų027.2 Ų27.20%015%0.146CC..Hα-helixtrans-63.3-48.2175.6-63.7167.2000110V165 M280 A284 L287 G296 A297 R302 A303 G304 L306 L309V165-I300 HydrophobicContact CG2-CG2 3.9Å; M280-I300 HydrophobicContact CE-CD1 3.72Å; M280-I300 HydrophobicContact SD-CD1 3.7Å; A284-I300 HydrophobicContact CB-CD1 4.47Å; L287-I300 HydrophobicContact CD2-CD1 4.28Å; L287-I300 HydrophobicContact CD2-CG1 4.23Å; G296-I300 WeakPolarHBondContact O-CG1 3.32Å; G296-I300 PolarHBondContact O-N 3.21Å; G296-I300 VanDerWaalsContact O-N 3.08Å; A297-I300 PolarHBondContact O-N 2.94Å; I300-R302 VanDerWaalsContact C-N 3.27Å; I300-R302 PolarHBondContact O-N 3.17Å; I300-A303 CarbonylContact O-C 3.58Å; I300-A303 PolarHBondContact O-N 2.96Å; I300-A303 VanDerWaalsContact O-N 3.1Å; I300-G304 PolarHBondContact O-N 2.96Å; I300-L306 HydrophobicContact CD1-CB 4.5Å; I300-L306 HydrophobicContact CD1-CD1 4Å; I300-L306 HydrophobicContact CG1-CD1 4.06Å; I300-L306 HydrophobicContact CG2-CB 4.4Å; I300-L309 HydrophobicContact CG1-CD2 3.85Å
301A93.9Very high93.3Very high26 Ų2634.2 Ų34.222%0.21518%0.177CC..Hα-helixtrans-57.2-40.717900000112.4V165 V168 A297 R298 G304V165-A301 HydrophobicContact CB-CB 4.43Å; V165-A301 HydrophobicContact CG1-CB 4.1Å; V165-A301 HydrophobicContact CG2-CB 4.35Å; V168-A301 HydrophobicContact CB-CB 4.13Å; V168-A301 HydrophobicContact CG1-CB 4.05Å; V168-A301 HydrophobicContact CG2-CB 4.48Å; A297-A301 WeakPolarHBondContact O-CB 3.2Å; A297-A301 PolarHBondContact O-N 3.33Å; R298-A301 PolarHBondContact O-N 2.84Å; A301-G304 PolarHBondContact O-N 3.26Å
302R93.5Very high93.4Very high137 Ų13736.3 Ų36.352%0.51719%0.186SC..Hα-helixtrans-72.7-30.6178.8-169.254.7173.3161.9-3.6113.5R298 L299 I300 G304 L320 E323 L341R298-R302 WeakPolarHBondContact O-CB 3.11Å; R298-R302 PolarHBondContact O-N 3.02Å; L299-R302 PolarHBondContact O-N 2.86Å; I300-R302 VanDerWaalsContact C-N 3.27Å; I300-R302 PolarHBondContact O-N 3.17Å; R302-G304 VanDerWaalsContact C-N 3.33Å; R302-L320 HydrophobicContact CB-CD1 4.48Å; R302-L320 HydrophobicContact CB-CD2 3.99Å; R302-L320 HydrophobicContact CB-CG 4Å; R302-L320 HydrophobicContact CG-CD1 3.9Å; R302-L320 HydrophobicContact CG-CD2 4.23Å; R302-L320 HydrophobicContact CG-CG 3.69Å; R302-E323 WeakPolarHBondContact CG-OE1 3.24Å; R302-E323 IonicContact CZ-OE1 3.45Å; R302-E323 IonicContact CZ-OE2 3.29Å; R302-E323 VanDerWaalsContact NE-CD 3.32Å; R302-E323 IonicContact NE-OE1 2.75Å; R302-E323 PolarHBondContact NE-OE1 3.31Å; R302-E323 IonicContact NE-OE2 3.26Å; R302-E323 PolarHBondContact NE-OE2 3.1Å; R302-E323 IonicContact NH2-OE1 3.95Å; R302-E323 IonicContact NH2-OE2 3.57Å; R302-E323 PolarHBondContact NH2-OE2 3.21Å; R302-L341 HydrophobicContact CB-CD1 4.35Å
303A92.6Very high93.6Very high13 Ų1338.5 Ų38.511%0.10720%0.197CC..Hα-helixtrans-80-15.6172.700000113.3L299 I300 T305 N308 L309L299-A303 WeakPolarHBondContact O-CB 3.38Å; L299-A303 PolarHBondContact O-N 2.73Å; L299-A303 VanDerWaalsContact O-N 3.1Å; I300-A303 CarbonylContact O-C 3.58Å; I300-A303 PolarHBondContact O-N 2.96Å; I300-A303 VanDerWaalsContact O-N 3.1Å; A303-T305 VanDerWaalsContact C-N 3.31Å; A303-T305 PolarHBondContact O-N 3.43Å; A303-N308 HydrophobicContact CB-CB 4.43Å; A303-N308 VanDerWaalsContact O-CB 3.28Å; A303-N308 WeakPolarHBondContact O-CB 3.32Å; A303-N308 PolarHBondContact O-ND2 3.01Å; A303-L309 HydrophobicContact CB-CB 3.74Å; A303-L309 HydrophobicContact CB-CD1 4.13Å
304G91.2Very high93.7Very high33 Ų3336.3 Ų36.334%0.3419%0.193SC..SBendtrans90.4-39.9-178.300000113.7V165 I300 A301 R302V165-G304 VanDerWaalsContact CG2-O 3.31Å; V165-G304 WeakPolarHBondContact CG2-O 3.41Å; I300-G304 PolarHBondContact O-N 2.96Å; A301-G304 PolarHBondContact O-N 3.26Å; R302-G304 VanDerWaalsContact C-N 3.33Å
305T92.2Very high93.8Very high23 Ų2337.7 Ų37.714%0.14121%0.206CC..SBendtrans-145.7160.9175.263.10000110.2D161 A303 V307 N308 L309D161-T305 WeakPolarHBondContact OD2-CA 3.16Å; D161-T305 WeakPolarHBondContact OD2-CB 3.47Å; A303-T305 VanDerWaalsContact C-N 3.31Å; A303-T305 PolarHBondContact O-N 3.43Å; T305-V307 VanDerWaalsContact C-N 3.28Å; T305-V307 PolarHBondContact O-N 2.87Å; T305-N308 PolarHBondContact O-N 3.17Å; T305-N308 WeakPolarHBondContact OG1-CB 3.27Å; T305-N308 PolarHBondContact OG1-N 2.94Å; T305-N308 VanDerWaalsContact OG1-N 3.07Å; T305-N308 PolarHBondContact OG1-ND2 3.3Å; T305-L309 PolarHBondContact O-N 3.02Å
306L92.5Very high93.9Very high7 Ų739.5 Ų39.54%0.03722%0.217CC..Hα-helixtrans-62.8-37.9174.1177.961.5000111D161 V283 A284 I300 N308 L309 A310 A371 D374 A375D161-L306 HydrophobicContact CB-CB 4.04Å; D161-L306 PolarHBondContact OD2-N 3.48Å; V283-L306 HydrophobicContact CG1-CD2 3.86Å; A284-L306 HydrophobicContact CB-CD1 4.3Å; A284-L306 HydrophobicContact CB-CD2 4.21Å; I300-L306 HydrophobicContact CD1-CB 4.5Å; I300-L306 HydrophobicContact CD1-CD1 4Å; I300-L306 HydrophobicContact CG1-CD1 4.06Å; I300-L306 HydrophobicContact CG2-CB 4.4Å; L306-N308 PolarHBondContact O-N 3Å; L306-L309 WeakPolarHBondContact O-CB 3.13Å; L306-L309 PolarHBondContact O-N 3.28Å; L306-A310 WeakPolarHBondContact O-CB 3.39Å; L306-A310 PolarHBondContact O-N 3.26Å; L306-A371 HydrophobicContact CD1-CB 4.41Å; L306-D374 HydrophobicContact CD2-CB 4.24Å; L306-A375 HydrophobicContact CD2-CB 4.28Å; L306-A375 HydrophobicContact CG-CB 3.91Å
307V91.2Very high94Very high30 Ų3039.5 Ų39.518%0.18222%0.218CC..Hα-helixtrans-63.6-40.4175.7176.90000111.5T305 A310 K311 A375T305-V307 VanDerWaalsContact C-N 3.28Å; T305-V307 PolarHBondContact O-N 2.87Å; V307-A310 WeakPolarHBondContact O-CB 3.03Å; V307-A310 PolarHBondContact O-N 2.75Å; V307-K311 HydrophobicContact CG1-CD 4.38Å; V307-K311 WeakPolarHBondContact O-CG 3.29Å; V307-K311 PolarHBondContact O-N 3.16Å; V307-A375 HydrophobicContact CG2-CB 4.41Å
308N92.5Very high94Very high64 Ų6440.4 Ų40.434%0.34222%0.222SC..Hα-helixtrans-66.7-39.5175.5-74.8-9.9000111.7A303 T305 L306 A310 K311 H312A303-N308 HydrophobicContact CB-CB 4.43Å; A303-N308 VanDerWaalsContact O-CB 3.28Å; A303-N308 WeakPolarHBondContact O-CB 3.32Å; A303-N308 PolarHBondContact O-ND2 3.01Å; T305-N308 PolarHBondContact O-N 3.17Å; T305-N308 WeakPolarHBondContact OG1-CB 3.27Å; T305-N308 PolarHBondContact OG1-N 2.94Å; T305-N308 VanDerWaalsContact OG1-N 3.07Å; T305-N308 PolarHBondContact OG1-ND2 3.3Å; L306-N308 PolarHBondContact O-N 3Å; N308-A310 VanDerWaalsContact C-N 3.33Å; N308-A310 PolarHBondContact O-N 3.2Å; N308-K311 PolarHBondContact O-N 3.34Å; N308-H312 PolarHBondContact O-N 3.06Å; N308-H312 VanDerWaalsContact O-N 3.17Å; N308-H312 PolarHBondContact O-ND1 3.15Å
309L94.5Very high94.1Very high2 Ų238.4 Ų38.41%0.0122%0.216CC..Hα-helixtrans-60.9-42173.5-176.162.7000111.6L287 L299 I300 A303 T305 L306 K311 H312 V317 L320 A371L287-L309 HydrophobicContact CD2-CD2 3.78Å; L299-L309 HydrophobicContact CB-CD1 4.4Å; L299-L309 HydrophobicContact CB-CD2 4Å; I300-L309 HydrophobicContact CG1-CD2 3.85Å; A303-L309 HydrophobicContact CB-CB 3.74Å; A303-L309 HydrophobicContact CB-CD1 4.13Å; T305-L309 PolarHBondContact O-N 3.02Å; L306-L309 WeakPolarHBondContact O-CB 3.13Å; L306-L309 PolarHBondContact O-N 3.28Å; L309-K311 VanDerWaalsContact C-N 3.31Å; L309-K311 PolarHBondContact O-N 2.64Å; L309-H312 WeakPolarHBondContact O-CB 3.43Å; L309-H312 PolarHBondContact O-N 2.98Å; L309-V317 HydrophobicContact CD1-CG2 4.1Å; L309-L320 HydrophobicContact CD1-CD2 4.17Å; L309-A371 HydrophobicContact CD2-CB 4.17Å; L309-A371 HydrophobicContact CG-CB 4.13Å
310A93.1Very high94Very high2 Ų238.9 Ų38.92%0.01722%0.219CC..Hα-helixtrans-62.6-36.5176.500000112.9L306 V307 N308 H312 R372 A375L306-A310 WeakPolarHBondContact O-CB 3.39Å; L306-A310 PolarHBondContact O-N 3.26Å; V307-A310 WeakPolarHBondContact O-CB 3.03Å; V307-A310 PolarHBondContact O-N 2.75Å; N308-A310 VanDerWaalsContact C-N 3.33Å; N308-A310 PolarHBondContact O-N 3.2Å; A310-H312 VanDerWaalsContact C-N 3.31Å; A310-R372 HydrophobicContact CB-CB 4.44Å; A310-R372 HydrophobicContact CB-CG 3.87Å; A310-R372 WeakPolarHBondContact O-CG 3.45Å; A310-R372 PolarHBondContact O-NE 3.45Å; A310-A375 HydrophobicContact CB-CB 3.65Å
311K94.3Very high93.9Very high148 Ų14840.7 Ų40.764%0.64324%0.237SC*.Hα-helixtrans-70.2-24.9175.9-71.5169.5-177.3169.60112.8V307 N308 L309V307-K311 HydrophobicContact CG1-CD 4.38Å; V307-K311 WeakPolarHBondContact O-CG 3.29Å; V307-K311 PolarHBondContact O-N 3.16Å; N308-K311 PolarHBondContact O-N 3.34Å; L309-K311 VanDerWaalsContact C-N 3.31Å; L309-K311 PolarHBondContact O-N 2.64Å
312H95.1Very high93.9Very high55 Ų5540.2 Ų40.226%0.25523%0.233SC..SBendtrans-66.9140.4179.2-70.7-17.7000112.3N308 L309 A310 T316 V317 S368N308-H312 PolarHBondContact O-N 3.06Å; N308-H312 VanDerWaalsContact O-N 3.17Å; N308-H312 PolarHBondContact O-ND1 3.15Å; L309-H312 WeakPolarHBondContact O-CB 3.43Å; L309-H312 PolarHBondContact O-N 2.98Å; A310-H312 VanDerWaalsContact C-N 3.31Å; H312-T316 HydrophobicContact CB-CG2 4.34Å; H312-V317 HydrophobicContact CB-CG2 3.98Å; H312-S368 PolarHBondContact O-OG 2.84Å
313P96.3Very high93.9Very high60 Ų6035.3 Ų35.339%0.3922%0.216SC..  trans-72.3158.117131.6-34.6000110.5S315 T316 V317P313-S315 PolarHBondContact O-N 2.89Å; P313-S315 VanDerWaalsContact O-N 3.17Å; P313-T316 WeakPolarHBondContact CG-OG1 3.39Å; P313-T316 PolarHBondContact O-N 2.77Å; P313-V317 PolarHBondContact O-N 3.13Å; P313-V317 VanDerWaalsContact O-N 3.09Å
314A95.7Very high93.8Very high33 Ų3343.6 Ų43.627%0.27325%0.25SC..Hα-helixtrans-56.6-34-179.300000113.6T316 V317 Q318 A364 A365A314-T316 VanDerWaalsContact C-N 3.34Å; A314-T316 PolarHBondContact O-N 3.15Å; A314-V317 PolarHBondContact O-N 3.2Å; A314-Q318 WeakPolarHBondContact O-CB 3.28Å; A314-Q318 PolarHBondContact O-N 2.97Å; A314-A364 WeakPolarHBondContact O-CB 3.33Å; A314-A365 HydrophobicContact CB-CB 4.21Å
315S94.5Very high93.9Very high74 Ų7443.5 Ų43.552%0.51725%0.245SC..Hα-helixtrans-64.2-36.8176.249.40000112.9P313 Q318 I319P313-S315 PolarHBondContact O-N 2.89Å; P313-S315 VanDerWaalsContact O-N 3.17Å; S315-Q318 WeakPolarHBondContact O-CB 3.39Å; S315-I319 WeakPolarHBondContact O-CG1 3.26Å
316T95Very high93.9Very high50 Ų5043.8 Ų43.831%0.30725%0.246SC..Hα-helixtrans-72.6-43.8175.7-59.50000110.8H312 P313 A314 Q318 I319 L320H312-T316 HydrophobicContact CB-CG2 4.34Å; P313-T316 WeakPolarHBondContact CG-OG1 3.39Å; P313-T316 PolarHBondContact O-N 2.77Å; A314-T316 VanDerWaalsContact C-N 3.34Å; A314-T316 PolarHBondContact O-N 3.15Å; T316-Q318 PolarHBondContact O-N 2.86Å; T316-I319 WeakPolarHBondContact O-CG1 3.36Å; T316-I319 PolarHBondContact O-N 3.49Å; T316-L320 PolarHBondContact O-N 3.19Å; T316-L320 VanDerWaalsContact O-N 3.11Å
317V96Very high93.8Very high1 Ų149.4 Ų49.41%0.00627%0.271CS..Hα-helixtrans-58.8-35.6175.7178.30000111.1L309 H312 P313 A314 I319 L320 A364 A367L309-V317 HydrophobicContact CD1-CG2 4.1Å; H312-V317 HydrophobicContact CB-CG2 3.98Å; P313-V317 PolarHBondContact O-N 3.13Å; P313-V317 VanDerWaalsContact O-N 3.09Å; A314-V317 PolarHBondContact O-N 3.2Å; V317-I319 VanDerWaalsContact C-N 3.31Å; V317-I319 PolarHBondContact O-N 2.81Å; V317-L320 PolarHBondContact O-N 2.97Å; V317-A364 HydrophobicContact CB-CB 4.42Å; V317-A364 HydrophobicContact CG1-CB 4.34Å; V317-A367 HydrophobicContact CG1-CB 4.42Å
318Q96.4Very high94Very high18 Ų1856.2 Ų56.28%0.08429%0.293CS..Hα-helixtrans-60-38.7178.8-175.3175-5.800113.4A314 S315 T316 K338 Y339 G340 A364A314-Q318 WeakPolarHBondContact O-CB 3.28Å; A314-Q318 PolarHBondContact O-N 2.97Å; S315-Q318 WeakPolarHBondContact O-CB 3.39Å; T316-Q318 PolarHBondContact O-N 2.86Å; Q318-K338 PolarHBondContact NE2-O 3.19Å; Q318-Y339 CarbonylContact O-C 3.51Å; Q318-Y339 WeakPolarHBondContact O-CA 3.4Å; Q318-G340 PolarHBondContact O-N 3.2Å; Q318-A364 HydrophobicContact CB-CB 3.66Å; Q318-A364 HydrophobicContact CG-CB 4.35Å
319I95.4Very high94Very high31 Ų3153.5 Ų53.516%0.15928%0.279CS..Hα-helixtrans-105.26.2-172.764.2-170.4000112.9S315 T316 V317 G321 A322 L326 P337S315-I319 WeakPolarHBondContact O-CG1 3.26Å; T316-I319 WeakPolarHBondContact O-CG1 3.36Å; T316-I319 PolarHBondContact O-N 3.49Å; V317-I319 VanDerWaalsContact C-N 3.31Å; V317-I319 PolarHBondContact O-N 2.81Å; I319-G321 PolarHBondContact O-N 2.87Å; I319-A322 WeakPolarHBondContact O-CB 3.43Å; I319-A322 PolarHBondContact O-N 3.17Å; I319-L326 HydrophobicContact CD1-CD1 3.94Å; I319-L326 HydrophobicContact CD1-CD2 3.5Å; I319-L326 VanDerWaalsContact CD1-CD2 3.5Å; I319-L326 HydrophobicContact CD1-CG 4.28Å; I319-L326 HydrophobicContact CG1-CD2 4.31Å; I319-P337 WeakPolarHBondContact CG2-O 3.35Å
320L94.4Very high93.8Very high10 Ų1058.2 Ų58.25%0.05230%0.304CS..THydrogen-bonded Turntrans-59.7130.4179.6-158.269.2000110.3L299 R302 L309 T316 V317 A322 G340 L341L299-L320 HydrophobicContact CB-CD2 4.36Å; L299-L320 HydrophobicContact CD2-CB 4.28Å; L299-L320 HydrophobicContact CD2-CD2 3.77Å; L299-L320 WeakPolarHBondContact O-CD2 3.47Å; R302-L320 HydrophobicContact CB-CD1 4.48Å; R302-L320 HydrophobicContact CB-CD2 3.99Å; R302-L320 HydrophobicContact CB-CG 4Å; R302-L320 HydrophobicContact CG-CD1 3.9Å; R302-L320 HydrophobicContact CG-CD2 4.23Å; R302-L320 HydrophobicContact CG-CG 3.69Å; L309-L320 HydrophobicContact CD1-CD2 4.17Å; T316-L320 PolarHBondContact O-N 3.19Å; T316-L320 VanDerWaalsContact O-N 3.11Å; V317-L320 PolarHBondContact O-N 2.97Å; L320-A322 VanDerWaalsContact C-N 3.33Å; L320-G340 CarbonylContact O-C 3.53Å; L320-G340 WeakPolarHBondContact O-CA 3.23Å; L320-L341 WeakPolarHBondContact O-CG 3.36Å; L320-L341 PolarHBondContact O-N 3.3Å
321G92.3Very high93.9Very high38 Ų3866.7 Ų66.739%0.39234%0.341SS..THydrogen-bonded Turntrans84.4-10.1-170.700000115.9I319 E323I319-G321 PolarHBondContact O-N 2.87Å; G321-E323 VanDerWaalsContact C-OE2 3.28Å; G321-E323 WeakPolarHBondContact CA-OE1 3.41Å; G321-E323 VanDerWaalsContact CA-OE2 3.28Å; G321-E323 WeakPolarHBondContact CA-OE2 3.48Å; G321-E323 VanDerWaalsContact N-CD 3.29Å; G321-E323 PolarHBondContact N-OE1 3.35Å; G321-E323 PolarHBondContact N-OE2 3.15Å
322A94.1Very high93.9Very high15 Ų1563 Ų6312%0.12433%0.331CS..  trans-102.724.4172.300000112.3I319 L320 K324 A325 L326 P337I319-A322 WeakPolarHBondContact O-CB 3.43Å; I319-A322 PolarHBondContact O-N 3.17Å; L320-A322 VanDerWaalsContact C-N 3.33Å; A322-K324 VanDerWaalsContact C-N 3.32Å; A322-K324 PolarHBondContact O-N 3.36Å; A322-A325 PolarHBondContact O-N 2.94Å; A322-A325 VanDerWaalsContact O-N 3.12Å; A322-L326 WeakPolarHBondContact O-CB 3.4Å; A322-L326 PolarHBondContact O-N 3.03Å; A322-P337 HydrophobicContact CB-CB 4.09Å; A322-P337 HydrophobicContact CB-CG 3.96Å
323E91.7Very high93.6Very high34 Ų3471.5 Ų71.516%0.15936%0.36CS..Hα-helixtrans-64.6-37.5-171.2-52.385.4173.900111.7R302 G321 A325 L326 F327R302-E323 WeakPolarHBondContact CG-OE1 3.24Å; R302-E323 IonicContact CZ-OE1 3.45Å; R302-E323 IonicContact CZ-OE2 3.29Å; R302-E323 VanDerWaalsContact NE-CD 3.32Å; R302-E323 IonicContact NE-OE1 2.75Å; R302-E323 PolarHBondContact NE-OE1 3.31Å; R302-E323 IonicContact NE-OE2 3.26Å; R302-E323 PolarHBondContact NE-OE2 3.1Å; R302-E323 IonicContact NH2-OE1 3.95Å; R302-E323 IonicContact NH2-OE2 3.57Å; R302-E323 PolarHBondContact NH2-OE2 3.21Å; G321-E323 VanDerWaalsContact C-OE2 3.28Å; G321-E323 WeakPolarHBondContact CA-OE1 3.41Å; G321-E323 VanDerWaalsContact CA-OE2 3.28Å; G321-E323 WeakPolarHBondContact CA-OE2 3.48Å; G321-E323 VanDerWaalsContact N-CD 3.29Å; G321-E323 PolarHBondContact N-OE1 3.35Å; G321-E323 PolarHBondContact N-OE2 3.15Å; E323-A325 VanDerWaalsContact C-N 3.32Å; E323-A325 PolarHBondContact O-N 3.02Å; E323-L326 WeakPolarHBondContact O-CB 3.47Å; E323-L326 PolarHBondContact O-N 3.4Å; E323-F327 HydrophobicContact CB-CD2 4.17Å; E323-F327 HydrophobicContact CB-CE2 3.97Å; E323-F327 WeakPolarHBondContact O-CD2 3.26Å; E323-F327 PolarHBondContact O-N 3.41Å
324K92.3Very high93.4Very high188 Ų18875.2 Ų75.282%0.81737%0.372SS*.Hα-helixtrans-58.6-44.7175-69.7-175.4179.1179.40111.7A322 R328A322-K324 VanDerWaalsContact C-N 3.32Å; A322-K324 PolarHBondContact O-N 3.36Å; K324-R328 WeakPolarHBondContact O-CB 3.31Å; K324-R328 PolarHBondContact O-N 3.21Å
325A92Very high93.1Very high30 Ų3081.3 Ų81.325%0.24840%0.4CS..Hα-helixtrans-70.2-38178.200000111.8A322 E323 R328 A329 P337A322-A325 PolarHBondContact O-N 2.94Å; A322-A325 VanDerWaalsContact O-N 3.12Å; E323-A325 VanDerWaalsContact C-N 3.32Å; E323-A325 PolarHBondContact O-N 3.02Å; A325-R328 PolarHBondContact O-N 3.49Å; A325-A329 WeakPolarHBondContact O-CB 3.09Å; A325-A329 PolarHBondContact O-N 2.93Å; A325-P337 HydrophobicContact CB-CG 4.29Å
326L91.8Very high92.9Very high30 Ų3081.4 Ų81.416%0.15740%0.398CS..Hα-helixtrans-59.7-52.2174176.768.3000111.5I319 A322 E323 R328 A329 L330 T336 P337I319-L326 HydrophobicContact CD1-CD1 3.94Å; I319-L326 HydrophobicContact CD1-CD2 3.5Å; I319-L326 VanDerWaalsContact CD1-CD2 3.5Å; I319-L326 HydrophobicContact CD1-CG 4.28Å; I319-L326 HydrophobicContact CG1-CD2 4.31Å; A322-L326 WeakPolarHBondContact O-CB 3.4Å; A322-L326 PolarHBondContact O-N 3.03Å; E323-L326 WeakPolarHBondContact O-CB 3.47Å; E323-L326 PolarHBondContact O-N 3.4Å; L326-R328 VanDerWaalsContact C-N 3.31Å; L326-R328 PolarHBondContact O-N 3.19Å; L326-A329 PolarHBondContact O-N 2.96Å; L326-L330 HydrophobicContact CD1-CD1 4.27Å; L326-L330 HydrophobicContact CD1-CG 4.41Å; L326-L330 HydrophobicContact CG-CD1 4.06Å; L326-L330 WeakPolarHBondContact O-CG 3.28Å; L326-L330 PolarHBondContact O-N 2.89Å; L326-T336 HydrophobicContact CD1-CG2 3.79Å; L326-P337 HydrophobicContact CB-CG 4.12Å
327F92.3Very high92.7Very high125 Ų12580.3 Ų80.355%0.54839%0.392SS..Hα-helixtrans-65.7-35-179.5-72.4-59.5000112.1E323 L330 K331E323-F327 HydrophobicContact CB-CD2 4.17Å; E323-F327 HydrophobicContact CB-CE2 3.97Å; E323-F327 WeakPolarHBondContact O-CD2 3.26Å; E323-F327 PolarHBondContact O-N 3.41Å; F327-L330 HydrophobicContact CD1-CD1 4.37Å; F327-K331 WeakPolarHBondContact O-CB 3.38Å; F327-K331 VanDerWaalsContact O-CG 3.3Å; F327-K331 WeakPolarHBondContact O-CG 3.32Å; F327-K331 PolarHBondContact O-N 3.01Å
328R93.6Very high92.5Very high172 Ų17287.3 Ų87.365%0.64942%0.422SS*.Hα-helixtrans-61.4-50.1171.4-173.6177.366.5-146.61111K324 A325 L326 L330 K331 T332K324-R328 WeakPolarHBondContact O-CB 3.31Å; K324-R328 PolarHBondContact O-N 3.21Å; A325-R328 PolarHBondContact O-N 3.49Å; L326-R328 VanDerWaalsContact C-N 3.31Å; L326-R328 PolarHBondContact O-N 3.19Å; R328-L330 VanDerWaalsContact C-N 3.33Å; R328-L330 PolarHBondContact O-N 3.48Å; R328-K331 PolarHBondContact O-N 3.21Å; R328-T332 PolarHBondContact O-N 2.79Å; R328-T332 PolarHBondContact O-OG1 3.03Å
329A92.5Very high92.3Very high7 Ų790.4 Ų90.46%0.05843%0.433CS..Hα-helixtrans-60.8-40.1179.200000112.8A325 L326 R333 H334 N335 T336A325-A329 WeakPolarHBondContact O-CB 3.09Å; A325-A329 PolarHBondContact O-N 2.93Å; L326-A329 PolarHBondContact O-N 2.96Å; A329-R333 CarbonylContact O-C 3.54Å; A329-R333 WeakPolarHBondContact O-CA 3.45Å; A329-R333 PolarHBondContact O-N 3.24Å; A329-H334 PolarHBondContact O-N 3.43Å; A329-N335 WeakPolarHBondContact CB-O 3.28Å; A329-T336 HydrophobicContact CB-CG2 4.3Å
330L92Very high92.2Very high102 Ų10289.5 Ų89.553%0.53443%0.432SS..Hα-helixtrans-64.7-42.6176.1-71.8172.1000112.1L326 F327 R328 R333 T336L326-L330 HydrophobicContact CD1-CD1 4.27Å; L326-L330 HydrophobicContact CD1-CG 4.41Å; L326-L330 HydrophobicContact CG-CD1 4.06Å; L326-L330 WeakPolarHBondContact O-CG 3.28Å; L326-L330 PolarHBondContact O-N 2.89Å; F327-L330 HydrophobicContact CD1-CD1 4.37Å; R328-L330 VanDerWaalsContact C-N 3.33Å; R328-L330 PolarHBondContact O-N 3.48Å; L330-R333 PolarHBondContact O-N 3.24Å; L330-T336 HydrophobicContact CD2-CG2 4.49Å
331K94.5Very high92.2Very high180 Ų18090.8 Ų90.878%0.78344%0.438SS*.Hα-helixtrans-66.2-42.9177.8-74.2178.3-179.4-171.90112.3F327 R328 R333F327-K331 WeakPolarHBondContact O-CB 3.38Å; F327-K331 VanDerWaalsContact O-CG 3.3Å; F327-K331 WeakPolarHBondContact O-CG 3.32Å; F327-K331 PolarHBondContact O-N 3.01Å; R328-K331 PolarHBondContact O-N 3.21Å; K331-R333 VanDerWaalsContact C-N 3.32Å
332T93.8Very high92.3Very high70 Ų7089 Ų8943%0.42942%0.42SS..THydrogen-bonded Turntrans-89.23.6-17863.70000113.4R328 H334R328-T332 PolarHBondContact O-N 2.79Å; R328-T332 PolarHBondContact O-OG1 3.03Å; T332-H334 PolarHBondContact O-N 3.1Å; T332-H334 VanDerWaalsContact O-N 3.15Å; T332-H334 PolarHBondContact OG1-CD2 2.76Å
333R89.3Confident92.3Very high234 Ų23491.7 Ų91.788%0.88343%0.427SS*.THydrogen-bonded Turntrans5036.2-173.3-58.2-176.6177.3-172-0.5113.4A329 L330 K331A329-R333 CarbonylContact O-C 3.54Å; A329-R333 WeakPolarHBondContact O-CA 3.45Å; A329-R333 PolarHBondContact O-N 3.24Å; L330-R333 PolarHBondContact O-N 3.24Å; K331-R333 VanDerWaalsContact C-N 3.32Å
334H91.1Very high92.4Very high138 Ų13895.9 Ų95.964%0.63945%0.447SS*.  trans-98.3174175.4-73.6-42.7000111.6A329 T332 T336A329-H334 PolarHBondContact O-N 3.43Å; T332-H334 PolarHBondContact O-N 3.1Å; T332-H334 VanDerWaalsContact O-N 3.15Å; T332-H334 PolarHBondContact OG1-CD2 2.76Å; H334-T336 PolarHBondContact O-N 3.07Å
335N89.8Confident92.4Very high160 Ų16087 Ų8786%0.85641%0.408SS*.PPolyproline II helixtrans-58.8129.2179.6-70-37.7000111.7A329A329-N335 WeakPolarHBondContact CB-O 3.28Å
336T90.5Very high92.5Very high76 Ų7688.6 Ų88.647%0.46642%0.415SS..PPolyproline II helixtrans-70.3151.2174.353.40000111.2L326 A329 L330 H334 K338L326-T336 HydrophobicContact CD1-CG2 3.79Å; A329-T336 HydrophobicContact CB-CG2 4.3Å; L330-T336 HydrophobicContact CD2-CG2 4.49Å; H334-T336 PolarHBondContact O-N 3.07Å; T336-K338 PolarHBondContact O-N 3.05Å
337P91.5Very high92.4Very high28 Ų2887.3 Ų87.318%0.18241%0.409CS..PPolyproline II helixtrans-60.9138.5177.625.4-34.2000110.9I319 A322 A325 L326I319-P337 WeakPolarHBondContact CG2-O 3.35Å; A322-P337 HydrophobicContact CB-CB 4.09Å; A322-P337 HydrophobicContact CB-CG 3.96Å; A325-P337 HydrophobicContact CB-CG 4.29Å; L326-P337 HydrophobicContact CB-CG 4.12Å
338K90.7Very high92.5Very high147 Ų14781.4 Ų81.464%0.63938%0.382SS*.SBendtrans-80.6-16.4-179.7-67.4-179.5-178.9174.40113.4Q318 T336Q318-K338 PolarHBondContact NE2-O 3.19Å; T336-K338 PolarHBondContact O-N 3.05Å
339Y92.2Very high92.4Very high83 Ų8376.2 Ų76.233%0.32537%0.37SS..  trans-158.6151.2-177.141-106.3000109.7Q318 Y343 K356 S360Q318-Y339 CarbonylContact O-C 3.51Å; Q318-Y339 WeakPolarHBondContact O-CA 3.4Å; Y339-Y343 HydrophobicContact CD1-CD2 4.21Å; Y339-Y343 AromaticContact CD2-CD2 3.45Å; Y339-Y343 HydrophobicContact CD2-CD2 3.45Å; Y339-Y343 VanDerWaalsContact CD2-CD2 3.45Å; Y339-Y343 HydrophobicContact CD2-CE2 4.41Å; Y339-Y343 AromaticContact CD2-CG 3.8Å; Y339-Y343 HydrophobicContact CD2-CG 3.8Å; Y339-Y343 HydrophobicContact CE1-CD2 4.02Å; Y339-Y343 HydrophobicContact CE1-CE2 4.33Å; Y339-Y343 AromaticContact CE2-CD2 3.22Å; Y339-Y343 HydrophobicContact CE2-CD2 3.22Å; Y339-Y343 AromaticContact CE2-CE2 3.75Å; Y339-Y343 HydrophobicContact CE2-CE2 3.75Å; Y339-Y343 AromaticContact CE2-CG 3.82Å; Y339-Y343 HydrophobicContact CE2-CG 3.82Å; Y339-Y343 AromaticContact CG-CD2 3.94Å; Y339-Y343 HydrophobicContact CG-CD2 3.94Å; Y339-Y343 HydrophobicContact CG-CG 4.49Å; Y339-Y343 AromaticContact CZ-CD2 3.52Å; Y339-Y343 AromaticContact CZ-CE2 3.69Å; Y339-K356 HydrophobicContact CE1-CB 4.25Å; Y339-S360 WeakPolarHBondContact CB-OG 3.4Å
340G93.1Very high92.3Very high12 Ų1282.4 Ų82.412%0.12440%0.398CS..SBendtrans-112.8-124.2167.100000111.3Q318 L320 L342 Y343Q318-G340 PolarHBondContact O-N 3.2Å; L320-G340 CarbonylContact O-C 3.53Å; L320-G340 WeakPolarHBondContact O-CA 3.23Å; G340-L342 PolarHBondContact O-N 3.26Å; G340-L342 VanDerWaalsContact O-N 3.14Å; G340-Y343 VanDerWaalsContact O-CB 3.24Å; G340-Y343 WeakPolarHBondContact O-CB 3.38Å; G340-Y343 PolarHBondContact O-N 2.88Å
341L94.7Very high92.3Very high37 Ų3777.7 Ų77.719%0.19437%0.374CS..G310 helixtrans-54.5-32.9178.6-68.8169.7000112.9L295 R298 L299 R302 L320 Y343 H344L295-L341 HydrophobicContact CD1-CB 3.83Å; L295-L341 VanDerWaalsContact CD1-O 3.3Å; L295-L341 WeakPolarHBondContact CD1-O 3.5Å; R298-L341 HydrophobicContact CB-CD1 4.28Å; L299-L341 HydrophobicContact CD2-CB 4.17Å; L299-L341 HydrophobicContact CD2-CD1 4.22Å; R302-L341 HydrophobicContact CB-CD1 4.35Å; L320-L341 WeakPolarHBondContact O-CG 3.36Å; L320-L341 PolarHBondContact O-N 3.3Å; L341-Y343 PolarHBondContact O-N 2.86Å; L341-H344 PolarHBondContact O-N 3.11Å
342L94.7Very high92.1Very high0 Ų073.5 Ų73.50%036%0.36CS..G310 helixtrans-59.5-14.8176.6-66.4-175.7000114V291 L295 L299 G340 H344 A345 V348 L363 A364V291-L342 HydrophobicContact CG1-CD2 4.2Å; L295-L342 HydrophobicContact CD2-CD2 4.44Å; L299-L342 HydrophobicContact CD1-CD2 3.91Å; L299-L342 HydrophobicContact CD2-CD2 4.35Å; G340-L342 PolarHBondContact O-N 3.26Å; G340-L342 VanDerWaalsContact O-N 3.14Å; L342-H344 PolarHBondContact O-N 2.74Å; L342-A345 VanDerWaalsContact O-CB 3.27Å; L342-A345 WeakPolarHBondContact O-CB 3.41Å; L342-A345 PolarHBondContact O-N 2.77Å; L342-A345 VanDerWaalsContact O-N 3.12Å; L342-V348 WeakPolarHBondContact O-CB 3.41Å; L342-V348 WeakPolarHBondContact O-CG2 3.41Å; L342-L363 HydrophobicContact CB-CD2 4.48Å; L342-L363 HydrophobicContact CD2-CD2 4.07Å; L342-L363 HydrophobicContact CD2-CG 4.43Å; L342-A364 HydrophobicContact CD1-CB 3.59Å
343Y94.1Very high91.9Very high73 Ų7376.5 Ų76.529%0.28637%0.373SS..G310 helixtrans-57.2-33.5171.4-177.5-103.4000112.3Y339 G340 L341 A345 V348 T349 K356Y339-Y343 HydrophobicContact CD1-CD2 4.21Å; Y339-Y343 AromaticContact CD2-CD2 3.45Å; Y339-Y343 HydrophobicContact CD2-CD2 3.45Å; Y339-Y343 VanDerWaalsContact CD2-CD2 3.45Å; Y339-Y343 HydrophobicContact CD2-CE2 4.41Å; Y339-Y343 AromaticContact CD2-CG 3.8Å; Y339-Y343 HydrophobicContact CD2-CG 3.8Å; Y339-Y343 HydrophobicContact CE1-CD2 4.02Å; Y339-Y343 HydrophobicContact CE1-CE2 4.33Å; Y339-Y343 AromaticContact CE2-CD2 3.22Å; Y339-Y343 HydrophobicContact CE2-CD2 3.22Å; Y339-Y343 AromaticContact CE2-CE2 3.75Å; Y339-Y343 HydrophobicContact CE2-CE2 3.75Å; Y339-Y343 AromaticContact CE2-CG 3.82Å; Y339-Y343 HydrophobicContact CE2-CG 3.82Å; Y339-Y343 AromaticContact CG-CD2 3.94Å; Y339-Y343 HydrophobicContact CG-CD2 3.94Å; Y339-Y343 HydrophobicContact CG-CG 4.49Å; Y339-Y343 AromaticContact CZ-CD2 3.52Å; Y339-Y343 AromaticContact CZ-CE2 3.69Å; G340-Y343 VanDerWaalsContact O-CB 3.24Å; G340-Y343 WeakPolarHBondContact O-CB 3.38Å; G340-Y343 PolarHBondContact O-N 2.88Å; L341-Y343 PolarHBondContact O-N 2.86Å; Y343-A345 VanDerWaalsContact C-N 3.27Å; Y343-A345 PolarHBondContact O-N 2.92Å; Y343-V348 HydrophobicContact CD2-CG1 4.49Å; Y343-T349 WeakPolarHBondContact O-CG2 3.37Å; Y343-K356 HydrophobicContact CE2-CD 3.82Å; Y343-K356 PolarHBondContact OH-NZ 2.76Å
344H93Very high91.9Very high121 Ų12173.5 Ų73.556%0.5637%0.369SS*.G310 helixtrans-82.8-1-179.9-58.8-67.7000113.4L341 L342L341-H344 PolarHBondContact O-N 3.11Å; L342-H344 PolarHBondContact O-N 2.74Å
345A93.8Very high91.9Very high2 Ų269.2 Ų69.22%0.01735%0.349CS..SBendtrans-68.8137.9173.200000110.1L295 L342 Y343 L347 V348 T349 L363L295-A345 HydrophobicContact CD2-CB 3.56Å; L342-A345 VanDerWaalsContact O-CB 3.27Å; L342-A345 WeakPolarHBondContact O-CB 3.41Å; L342-A345 PolarHBondContact O-N 2.77Å; L342-A345 VanDerWaalsContact O-N 3.12Å; Y343-A345 VanDerWaalsContact C-N 3.27Å; Y343-A345 PolarHBondContact O-N 2.92Å; A345-L347 VanDerWaalsContact C-N 3.27Å; A345-L347 PolarHBondContact O-N 3.49Å; A345-V348 HydrophobicContact CB-CG2 4.28Å; A345-V348 PolarHBondContact O-N 3.15Å; A345-T349 PolarHBondContact O-N 2.94Å; A345-T349 PolarHBondContact O-OG1 3.42Å; A345-L363 HydrophobicContact CB-CD2 3.4Å
346T92.7Very high92.1Very high64 Ų6462.5 Ų62.539%0.39331%0.312SS..Hα-helixtrans-52.1-43.4-179.852.10000113V348 T349 Q350T346-V348 PolarHBondContact O-N 2.79Å; T346-T349 WeakPolarHBondContact CA-OG1 3.48Å; T346-T349 PolarHBondContact O-N 2.89Å; T346-T349 PolarHBondContact O-OG1 3.4Å; T346-T349 VanDerWaalsContact O-OG1 3.08Å; T346-Q350 VanDerWaalsContact O-CB 3.3Å; T346-Q350 WeakPolarHBondContact O-CB 3.35Å; T346-Q350 VanDerWaalsContact O-CG 3.25Å; T346-Q350 WeakPolarHBondContact O-CG 3.48Å; T346-Q350 PolarHBondContact O-N 3.29Å
347L91.2Very high92.2Very high3 Ų359.4 Ų59.42%0.01630%0.295CS..Hα-helixtrans-63.2-24.5178.1-66.3172.5000114.2A345 M359 L363 R390 L393 E394A345-L347 VanDerWaalsContact C-N 3.27Å; A345-L347 PolarHBondContact O-N 3.49Å; L347-M359 HydrophobicContact CB-CE 4.5Å; L347-L363 HydrophobicContact CD1-CD1 4.01Å; L347-R390 HydrophobicContact CD1-CG 4.42Å; L347-L393 HydrophobicContact CD1-CB 3.91Å; L347-L393 HydrophobicContact CD1-CD1 3.91Å; L347-E394 HydrophobicContact CD2-CG 3.41Å; L347-E394 VanDerWaalsContact CD2-CG 3.41Å
348V93.2Very high92.3Very high0 Ų061.4 Ų61.40%030%0.3CS..Hα-helixtrans-94-41.3179.1-178.60000110.1L342 Y343 A345 T346 Q350 S351 K356 M359 L363L342-V348 WeakPolarHBondContact O-CB 3.41Å; L342-V348 WeakPolarHBondContact O-CG2 3.41Å; Y343-V348 HydrophobicContact CD2-CG1 4.49Å; A345-V348 HydrophobicContact CB-CG2 4.28Å; A345-V348 PolarHBondContact O-N 3.15Å; T346-V348 PolarHBondContact O-N 2.79Å; V348-Q350 VanDerWaalsContact C-N 3.34Å; V348-Q350 PolarHBondContact O-N 3.45Å; V348-S351 PolarHBondContact O-N 3.46Å; V348-S351 PolarHBondContact O-OG 2.94Å; V348-K356 HydrophobicContact CG1-CB 4.2Å; V348-K356 HydrophobicContact CG1-CG 4.33Å; V348-K356 WeakPolarHBondContact O-CG 3.31Å; V348-M359 HydrophobicContact CG2-CB 4.38Å; V348-L363 HydrophobicContact CG2-CD2 3.87Å
349T92.7Very high92.5Very high64 Ų6454.4 Ų54.439%0.39327%0.27SS..Hα-helixtrans-64.3-38.6178.555.80000112.3Y343 A345 T346 S351Y343-T349 WeakPolarHBondContact O-CG2 3.37Å; A345-T349 PolarHBondContact O-N 2.94Å; A345-T349 PolarHBondContact O-OG1 3.42Å; T346-T349 WeakPolarHBondContact CA-OG1 3.48Å; T346-T349 PolarHBondContact O-N 2.89Å; T346-T349 PolarHBondContact O-OG1 3.4Å; T346-T349 VanDerWaalsContact O-OG1 3.08Å; T349-S351 VanDerWaalsContact C-N 3.31Å; T349-S351 PolarHBondContact O-N 2.96Å
350Q90.7Very high92.6Very high137 Ų13750.4 Ų50.464%0.6425%0.254SS*.SBendtrans-71.8-23.3178-71.2176.2-15.500113.5T346 V348T346-Q350 VanDerWaalsContact O-CB 3.3Å; T346-Q350 WeakPolarHBondContact O-CB 3.35Å; T346-Q350 VanDerWaalsContact O-CG 3.25Å; T346-Q350 WeakPolarHBondContact O-CG 3.48Å; T346-Q350 PolarHBondContact O-N 3.29Å; V348-Q350 VanDerWaalsContact C-N 3.34Å; V348-Q350 PolarHBondContact O-N 3.45Å
351S90.3Very high92.7Very high3 Ų357.1 Ų57.12%0.02128%0.276CS..SBendtrans-77145.8-178.670.30000112.7V348 T349 K356V348-S351 PolarHBondContact O-N 3.46Å; V348-S351 PolarHBondContact O-OG 2.94Å; T349-S351 VanDerWaalsContact C-N 3.31Å; T349-S351 PolarHBondContact O-N 2.96Å; S351-K356 WeakPolarHBondContact O-CE 3.46Å; S351-K356 WeakPolarHBondContact O-CG 3.44Å; S351-K356 WeakPolarHBondContact OG-CA 3.35Å; S351-K356 WeakPolarHBondContact OG-CG 3.47Å
352D90.6Very high92.8Very high92 Ų9257.1 Ų57.149%0.49228%0.275SS..  trans-55.1147.3174.2-71.3-31.8000112.6Q354 F355 K356D352-Q354 PolarHBondContact O-N 3.16Å; D352-F355 HydrophobicContact CB-CD2 3.99Å; D352-F355 WeakPolarHBondContact O-CA 3.22Å; D352-F355 PolarHBondContact O-N 3.06Å; D352-K356 WeakPolarHBondContact O-CG 3.37Å; D352-K356 PolarHBondContact O-N 3.48Å
353N89.6Confident92.8Very high132 Ų13257.1 Ų57.171%0.70628%0.275SS*.THydrogen-bonded Turntrans-52.1-30.8-178.2-76.1-19.8000113.7K356N353-K356 VanDerWaalsContact OD1-CE 3.28Å; N353-K356 WeakPolarHBondContact OD1-CE 3.39Å; N353-K356 PolarHBondContact OD1-NZ 3.11Å
354Q89.2Confident92.9Very high171 Ų17153.6 Ų53.680%0.79926%0.262SS*.THydrogen-bonded Turntrans-68-34.3176.1-60.3-173.59.100112.6D352D352-Q354 PolarHBondContact O-N 3.16Å
355F91.5Very high93.1Very high49 Ų4949.7 Ų49.722%0.21525%0.25CS..THydrogen-bonded Turntrans-98.1-15.4-175.2-56.5-50.4000114.2D352 G357 K358 M359 L400D352-F355 HydrophobicContact CB-CD2 3.99Å; D352-F355 WeakPolarHBondContact O-CA 3.22Å; D352-F355 PolarHBondContact O-N 3.06Å; F355-G357 VanDerWaalsContact C-N 3.27Å; F355-G357 PolarHBondContact O-N 3.04Å; F355-G357 VanDerWaalsContact O-N 3.13Å; F355-K358 WeakPolarHBondContact O-CA 3.45Å; F355-K358 WeakPolarHBondContact O-CB 3.3Å; F355-K358 PolarHBondContact O-N 3.08Å; F355-M359 PolarHBondContact O-N 3.08Å; F355-L400 HydrophobicContact CD1-CB 4.3Å; F355-L400 HydrophobicContact CD2-CB 4.28Å; F355-L400 HydrophobicContact CE1-CB 4.44Å; F355-L400 HydrophobicContact CE2-CB 4.42Å; F355-L400 HydrophobicContact CG-CB 4.23Å; F355-L400 WeakPolarHBondContact CZ-O 3.42Å
356K93.5Very high93.2Very high19 Ų1952.2 Ų52.28%0.08326%0.261CS..Hα-helixtrans-46.6-45.8178.9-73.3-171.1176.5170.40114.2Y339 Y343 V348 S351 D352 N353 K358 M359 S360Y339-K356 HydrophobicContact CE1-CB 4.25Å; Y343-K356 HydrophobicContact CE2-CD 3.82Å; Y343-K356 PolarHBondContact OH-NZ 2.76Å; V348-K356 HydrophobicContact CG1-CB 4.2Å; V348-K356 HydrophobicContact CG1-CG 4.33Å; V348-K356 WeakPolarHBondContact O-CG 3.31Å; S351-K356 WeakPolarHBondContact O-CE 3.46Å; S351-K356 WeakPolarHBondContact O-CG 3.44Å; S351-K356 WeakPolarHBondContact OG-CA 3.35Å; S351-K356 WeakPolarHBondContact OG-CG 3.47Å; D352-K356 WeakPolarHBondContact O-CG 3.37Å; D352-K356 PolarHBondContact O-N 3.48Å; N353-K356 VanDerWaalsContact OD1-CE 3.28Å; N353-K356 WeakPolarHBondContact OD1-CE 3.39Å; N353-K356 PolarHBondContact OD1-NZ 3.11Å; K356-K358 PolarHBondContact O-N 2.95Å; K356-M359 PolarHBondContact O-N 2.96Å; K356-S360 VanDerWaalsContact O-CB 3.25Å; K356-S360 WeakPolarHBondContact O-CB 3.49Å; K356-S360 PolarHBondContact O-N 3.47Å
357G92.9Very high93.4Very high10 Ų1049.2 Ų49.210%0.10324%0.243CC..Hα-helixtrans-67.3-32.8178.500000113.9F355 R361F355-G357 VanDerWaalsContact C-N 3.27Å; F355-G357 PolarHBondContact O-N 3.04Å; F355-G357 VanDerWaalsContact O-N 3.13Å; G357-R361 PolarHBondContact O-N 3.43Å
358K93.5Very high93.6Very high70 Ų7049.3 Ų49.330%0.30424%0.243SC..Hα-helixtrans-75.8-42.7176.9-166.9-179.1177.6175.50110.7F355 K356 R361 M362 L400F355-K358 WeakPolarHBondContact O-CA 3.45Å; F355-K358 WeakPolarHBondContact O-CB 3.3Å; F355-K358 PolarHBondContact O-N 3.08Å; K356-K358 PolarHBondContact O-N 2.95Å; K358-R361 PolarHBondContact O-N 2.83Å; K358-M362 HydrophobicContact CD-CE 4.49Å; K358-M362 HydrophobicContact CG-CE 3.93Å; K358-M362 WeakPolarHBondContact O-CE 3.36Å; K358-M362 WeakPolarHBondContact O-CG 3.37Å; K358-M362 PolarHBondContact O-N 3.25Å; K358-M362 VanDerWaalsContact O-N 3.08Å; K358-L400 HydrophobicContact CD-CD1 4.04Å; K358-L400 HydrophobicContact CD-CD2 4.02Å
359M94.4Very high93.7Very high0 Ų053 Ų530%026%0.262CS..Hα-helixtrans-61.9-47174.5-72.9-53.7-6000111.7L347 V348 F355 K356 R361 M362 L363 L393 L397 L400L347-M359 HydrophobicContact CB-CE 4.5Å; V348-M359 HydrophobicContact CG2-CB 4.38Å; F355-M359 PolarHBondContact O-N 3.08Å; K356-M359 PolarHBondContact O-N 2.96Å; M359-R361 VanDerWaalsContact C-N 3.31Å; M359-R361 PolarHBondContact O-N 3.44Å; M359-M362 HydrophobicContact CG-CE 4.49Å; M359-M362 PolarHBondContact O-N 3.49Å; M359-M362 VanDerWaalsContact O-N 3.15Å; M359-M362 HydrophobicContact SD-CE 3.42Å; M359-M362 WeakPolarHBondContact SD-CE 3.42Å; M359-L363 WeakPolarHBondContact O-CB 3.45Å; M359-L363 PolarHBondContact O-N 3.15Å; M359-L393 HydrophobicContact CE-CB 4.41Å; M359-L397 HydrophobicContact CE-CB 3.89Å; M359-L397 HydrophobicContact CE-CD1 4.42Å; M359-L397 HydrophobicContact CG-CD1 3.95Å; M359-L397 HydrophobicContact SD-CB 4.07Å; M359-L397 HydrophobicContact SD-CD1 4.02Å; M359-L400 HydrophobicContact SD-CD1 3.93Å
360S95.5Very high93.8Very high0 Ų050 Ų500%024%0.244CC..Hα-helixtrans-58-41.4176176.20000112.2Y339 K356 L363 A364Y339-S360 WeakPolarHBondContact CB-OG 3.4Å; K356-S360 VanDerWaalsContact O-CB 3.25Å; K356-S360 WeakPolarHBondContact O-CB 3.49Å; K356-S360 PolarHBondContact O-N 3.47Å; S360-L363 PolarHBondContact O-N 3.07Å; S360-A364 VanDerWaalsContact O-CB 3.29Å; S360-A364 WeakPolarHBondContact O-CB 3.34Å; S360-A364 PolarHBondContact O-N 3.23Å
361R95.8Very high93.9Very high152 Ų15243.5 Ų43.557%0.57421%0.213SC*.Hα-helixtrans-62.7-45174.7-171.4-178.3-60.81371.6112.9G357 K358 M359 A364 A365G357-R361 PolarHBondContact O-N 3.43Å; K358-R361 PolarHBondContact O-N 2.83Å; M359-R361 VanDerWaalsContact C-N 3.31Å; M359-R361 PolarHBondContact O-N 3.44Å; R361-A364 PolarHBondContact O-N 3.2Å; R361-A365 PolarHBondContact O-N 2.77Å
362M95.6Very high94.1Very high37 Ų3748.6 Ų48.618%0.18223%0.232CC..Hα-helixtrans-67.6-39.1179.4-67.4-175.9-70.500111.3K358 M359 A365 K366 L393 R396 L400K358-M362 HydrophobicContact CD-CE 4.49Å; K358-M362 HydrophobicContact CG-CE 3.93Å; K358-M362 WeakPolarHBondContact O-CE 3.36Å; K358-M362 WeakPolarHBondContact O-CG 3.37Å; K358-M362 PolarHBondContact O-N 3.25Å; K358-M362 VanDerWaalsContact O-N 3.08Å; M359-M362 HydrophobicContact CG-CE 4.49Å; M359-M362 PolarHBondContact O-N 3.49Å; M359-M362 VanDerWaalsContact O-N 3.15Å; M359-M362 HydrophobicContact SD-CE 3.42Å; M359-M362 WeakPolarHBondContact SD-CE 3.42Å; M362-A365 PolarHBondContact O-N 3.5Å; M362-K366 PolarHBondContact O-N 3.23Å; M362-K366 VanDerWaalsContact O-N 3.1Å; M362-L393 HydrophobicContact CB-CD2 3.58Å; M362-R396 HydrophobicContact CE-CG 3.79Å; M362-R396 HydrophobicContact SD-CG 3.65Å; M362-L400 HydrophobicContact CE-CD1 3.82Å
363L95.9Very high94.2Very high0 Ų046.7 Ų46.70%022%0.222CC..Hα-helixtrans-63.3-47174.2-17564.2000111.3L290 V291 L342 A345 L347 V348 M359 S360 A365 K366 A367 L393L290-L363 HydrophobicContact CD1-CD1 4.01Å; L290-L363 HydrophobicContact CD2-CD1 4.12Å; L290-L363 HydrophobicContact CG-CD1 3.77Å; V291-L363 HydrophobicContact CG1-CD1 4.01Å; V291-L363 HydrophobicContact CG1-CD2 4.28Å; V291-L363 HydrophobicContact CG1-CG 4.19Å; L342-L363 HydrophobicContact CB-CD2 4.48Å; L342-L363 HydrophobicContact CD2-CD2 4.07Å; L342-L363 HydrophobicContact CD2-CG 4.43Å; A345-L363 HydrophobicContact CB-CD2 3.4Å; L347-L363 HydrophobicContact CD1-CD1 4.01Å; V348-L363 HydrophobicContact CG2-CD2 3.87Å; M359-L363 WeakPolarHBondContact O-CB 3.45Å; M359-L363 PolarHBondContact O-N 3.15Å; S360-L363 PolarHBondContact O-N 3.07Å; L363-A365 VanDerWaalsContact C-N 3.3Å; L363-A365 PolarHBondContact O-N 3.46Å; L363-K366 PolarHBondContact O-N 3.27Å; L363-A367 VanDerWaalsContact O-CB 3.26Å; L363-A367 WeakPolarHBondContact O-CB 3.44Å; L363-A367 PolarHBondContact O-N 3.42Å; L363-L393 HydrophobicContact CB-CD1 4.23Å; L363-L393 HydrophobicContact CD1-CD1 3.52Å
364A96.4Very high94.3Very high0 Ų041.8 Ų41.80%020%0.196CC..Hα-helixtrans-60.4-39.4177.400000112.5A314 V317 Q318 L342 S360 R361 A367 S368A314-A364 WeakPolarHBondContact O-CB 3.33Å; V317-A364 HydrophobicContact CB-CB 4.42Å; V317-A364 HydrophobicContact CG1-CB 4.34Å; Q318-A364 HydrophobicContact CB-CB 3.66Å; Q318-A364 HydrophobicContact CG-CB 4.35Å; L342-A364 HydrophobicContact CD1-CB 3.59Å; S360-A364 VanDerWaalsContact O-CB 3.29Å; S360-A364 WeakPolarHBondContact O-CB 3.34Å; S360-A364 PolarHBondContact O-N 3.23Å; R361-A364 PolarHBondContact O-N 3.2Å; A364-A367 PolarHBondContact O-N 3.39Å; A364-S368 WeakPolarHBondContact O-CB 3.47Å; A364-S368 PolarHBondContact O-N 3.37Å
365A96.8Very high94.4Very high38 Ų3835 Ų3531%0.31417%0.168SC..Hα-helixtrans-63.3-43.9175.500000112A314 R361 M362 L363 I369A314-A365 HydrophobicContact CB-CB 4.21Å; R361-A365 PolarHBondContact O-N 2.77Å; M362-A365 PolarHBondContact O-N 3.5Å; L363-A365 VanDerWaalsContact C-N 3.3Å; L363-A365 PolarHBondContact O-N 3.46Å; A365-I369 WeakPolarHBondContact O-CG1 3.3Å; A365-I369 PolarHBondContact O-N 3.48Å
366K96.2Very high94.2Very high55 Ų5538.2 Ų38.224%0.23919%0.187CC..Hα-helixtrans-70.5-40176.2-68.7-61-177.1-179.10112.3L290 M362 L363 S368 I369 S370 A389 L393L290-K366 HydrophobicContact CD1-CB 4.42Å; L290-K366 HydrophobicContact CD2-CB 3.71Å; M362-K366 PolarHBondContact O-N 3.23Å; M362-K366 VanDerWaalsContact O-N 3.1Å; L363-K366 PolarHBondContact O-N 3.27Å; K366-S368 PolarHBondContact O-N 3.07Å; K366-I369 PolarHBondContact O-N 2.71Å; K366-S370 PolarHBondContact O-N 3.23Å; K366-S370 PolarHBondContact O-OG 3.35Å; K366-A389 HydrophobicContact CB-CB 4.21Å; K366-A389 HydrophobicContact CD-CB 4.09Å; K366-A389 HydrophobicContact CG-CB 4.25Å; K366-L393 HydrophobicContact CB-CD1 4.35Å; K366-L393 HydrophobicContact CG-CD1 4.32Å; K366-L393 HydrophobicContact CG-CD2 4.39Å; K366-L393 HydrophobicContact CG-CG 4.42Å
367A95.6Very high93.7Very high2 Ų238.9 Ų38.92%0.01720%0.2CC..Hα-helixtrans-63.3-39.8177.200000112.1L287 L290 V291 V317 L363 A364 I369 S370 A371L287-A367 HydrophobicContact CD1-CB 4Å; L290-A367 HydrophobicContact CD2-CB 3.93Å; L290-A367 VanDerWaalsContact CD2-N 3.29Å; V291-A367 HydrophobicContact CG1-CB 4.35Å; V317-A367 HydrophobicContact CG1-CB 4.42Å; L363-A367 VanDerWaalsContact O-CB 3.26Å; L363-A367 WeakPolarHBondContact O-CB 3.44Å; L363-A367 PolarHBondContact O-N 3.42Å; A364-A367 PolarHBondContact O-N 3.39Å; A367-I369 VanDerWaalsContact C-N 3.33Å; A367-I369 PolarHBondContact O-N 2.94Å; A367-S370 PolarHBondContact O-N 2.95Å; A367-A371 VanDerWaalsContact O-CB 3.25Å; A367-A371 WeakPolarHBondContact O-CB 3.28Å; A367-A371 PolarHBondContact O-N 2.95Å
368S95.5Very high92.9Very high4 Ų446.5 Ų46.53%0.02823%0.233CC..Hα-helixtrans-63-39174.3-178.60000111.9H312 A364 K366 R372H312-S368 PolarHBondContact O-OG 2.84Å; A364-S368 WeakPolarHBondContact O-CB 3.47Å; A364-S368 PolarHBondContact O-N 3.37Å; K366-S368 PolarHBondContact O-N 3.07Å; S368-R372 VanDerWaalsContact O-CG 3.28Å; S368-R372 WeakPolarHBondContact O-CG 3.43Å; S368-R372 PolarHBondContact O-N 3.3Å; S368-R372 VanDerWaalsContact O-N 3.14Å; S368-R372 PolarHBondContact OG-NH2 2.8Å
369I94.9Very high91.8Very high78 Ų7853 Ų5340%0.426%0.264SS..Hα-helixtrans-69.1-46.6175.7-64.9166.5000110.8A365 K366 A367 A371 R372 L373 M385A365-I369 WeakPolarHBondContact O-CG1 3.3Å; A365-I369 PolarHBondContact O-N 3.48Å; K366-I369 PolarHBondContact O-N 2.71Å; A367-I369 VanDerWaalsContact C-N 3.33Å; A367-I369 PolarHBondContact O-N 2.94Å; I369-A371 PolarHBondContact O-N 2.95Å; I369-R372 PolarHBondContact O-N 2.94Å; I369-L373 PolarHBondContact O-N 3.42Å; I369-M385 HydrophobicContact CG2-CE 4.44Å
370S94.7Very high90.8Very high1 Ų157 Ų571%0.00731%0.305CS..Hα-helixtrans-58.7-46.2176.9-64.80000111.6K366 A367 R372 L373 D374K366-S370 PolarHBondContact O-N 3.23Å; K366-S370 PolarHBondContact O-OG 3.35Å; A367-S370 PolarHBondContact O-N 2.95Å; S370-R372 VanDerWaalsContact C-N 3.3Å; S370-R372 PolarHBondContact O-N 2.98Å; S370-L373 PolarHBondContact O-N 3.43Å; S370-D374 WeakPolarHBondContact O-CB 3.41Å; S370-D374 VanDerWaalsContact O-CG 3.29Å; S370-D374 PolarHBondContact O-N 2.99Å
371A93.9Very high89.9Confident0 Ų058.7 Ų58.70%032%0.319CS..Hα-helixtrans-61.9-36.2177.200000112.4L306 L309 A367 I369 A375L306-A371 HydrophobicContact CD1-CB 4.41Å; L309-A371 HydrophobicContact CD2-CB 4.17Å; L309-A371 HydrophobicContact CG-CB 4.13Å; A367-A371 VanDerWaalsContact O-CB 3.25Å; A367-A371 WeakPolarHBondContact O-CB 3.28Å; A367-A371 PolarHBondContact O-N 2.95Å; I369-A371 PolarHBondContact O-N 2.95Å; A371-A375 WeakPolarHBondContact O-CB 3.48Å; A371-A375 PolarHBondContact O-N 3.2Å
372R94.1Very high89.4Confident110 Ų11054.1 Ų54.142%0.41531%0.306SS..Hα-helixtrans-67.9-40.3174.7-73.7171.1-167.1173.97.3112.7A310 S368 I369 S370 L376A310-R372 HydrophobicContact CB-CB 4.44Å; A310-R372 HydrophobicContact CB-CG 3.87Å; A310-R372 WeakPolarHBondContact O-CG 3.45Å; A310-R372 PolarHBondContact O-NE 3.45Å; S368-R372 VanDerWaalsContact O-CG 3.28Å; S368-R372 WeakPolarHBondContact O-CG 3.43Å; S368-R372 PolarHBondContact O-N 3.3Å; S368-R372 VanDerWaalsContact O-N 3.14Å; S368-R372 PolarHBondContact OG-NH2 2.8Å; I369-R372 PolarHBondContact O-N 2.94Å; S370-R372 VanDerWaalsContact C-N 3.3Å; S370-R372 PolarHBondContact O-N 2.98Å; R372-L376 WeakPolarHBondContact O-CA 3.37Å; R372-L376 WeakPolarHBondContact O-CB 3.15Å; R372-L376 PolarHBondContact O-N 2.88Å
373L92.9Very high88.9Confident52 Ų5256.5 Ų56.527%0.27232%0.323SS..Hα-helixtrans-67.4-39.7177.1-172.761000111.2I369 S370 G377 A381 D382 M385I369-L373 PolarHBondContact O-N 3.42Å; S370-L373 PolarHBondContact O-N 3.43Å; L373-G377 WeakPolarHBondContact O-CA 3.18Å; L373-G377 PolarHBondContact O-N 3.35Å; L373-A381 HydrophobicContact CD1-CB 3.92Å; L373-A381 HydrophobicContact CG-CB 4.33Å; L373-D382 HydrophobicContact CD2-CB 4.27Å; L373-D382 VanDerWaalsContact CD2-O 3.23Å; L373-D382 WeakPolarHBondContact CD2-O 3.34Å; L373-M385 HydrophobicContact CD2-CB 3.92Å; L373-M385 HydrophobicContact CD2-CG 4.26Å
374D92.1Very high88.5Confident30 Ų3061.4 Ų61.416%0.1635%0.346CS..Hα-helixtrans-69.1-38.8176.9-67.9-20.5000111.9A284 N286 L287 L306 S370A284-D374 VanDerWaalsContact C-OD2 3.29Å; A284-D374 WeakPolarHBondContact CA-OD2 3.47Å; A284-D374 HydrophobicContact CB-CB 4.12Å; N286-D374 VanDerWaalsContact CB-OD1 3.26Å; N286-D374 WeakPolarHBondContact CB-OD1 3.36Å; N286-D374 WeakPolarHBondContact CB-OD2 3.45Å; N286-D374 PolarHBondContact N-OD1 2.92Å; N286-D374 PolarHBondContact N-OD2 2.84Å; N286-D374 PolarHBondContact ND2-OD1 2.98Å; L287-D374 PolarHBondContact N-OD2 3.25Å; L306-D374 HydrophobicContact CD2-CB 4.24Å; S370-D374 WeakPolarHBondContact O-CB 3.41Å; S370-D374 VanDerWaalsContact O-CG 3.29Å; S370-D374 PolarHBondContact O-N 2.99Å
375A89.9Confident88.3Confident27 Ų2763.7 Ų63.722%0.22336%0.357CS..Hα-helixtrans-82-36.9-17700000114.6L306 V307 A310 A371L306-A375 HydrophobicContact CD2-CB 4.28Å; L306-A375 HydrophobicContact CG-CB 3.91Å; V307-A375 HydrophobicContact CG2-CB 4.41Å; A310-A375 HydrophobicContact CB-CB 3.65Å; A371-A375 WeakPolarHBondContact O-CB 3.48Å; A371-A375 PolarHBondContact O-N 3.2Å
376L88.4Confident88Confident117 Ų11761.9 Ų61.961%0.61334%0.342SS*.Hα-helixtrans-121.95.4-169.5-53.7176000112.4R372R372-L376 WeakPolarHBondContact O-CA 3.37Å; R372-L376 WeakPolarHBondContact O-CB 3.15Å; R372-L376 PolarHBondContact O-N 2.88Å
377G81.9Confident87.9Confident33 Ų3364.2 Ų64.234%0.3436%0.356SS..PPolyproline II helixtrans-64.6137.3175.800000111.2L373L373-G377 WeakPolarHBondContact O-CA 3.18Å; L373-G377 PolarHBondContact O-N 3.35Å
378E77.2Confident87.8Confident171 Ų17170.1 Ų70.180%0.79938%0.378SS*.PPolyproline II helixtrans-76.2170.8171-63.2-178.6175.300110.9G380 A381E378-G380 PolarHBondContact O-N 3.49Å; E378-G380 VanDerWaalsContact O-N 3.16Å; E378-A381 WeakPolarHBondContact O-CB 3.49Å; E378-A381 PolarHBondContact O-N 3.49Å
379E70.3Confident87.7Confident207 Ų20770 Ų7097%0.96738%0.377SS*.THydrogen-bonded Turntrans-54.8121173.3-69.8179.1179.600110.3
380G72.4Confident87.7Confident83 Ų8370.4 Ų70.486%0.85637%0.374SS*.THydrogen-bonded Turntrans95.710.2-174.300000115.2E378E378-G380 PolarHBondContact O-N 3.49Å; E378-G380 VanDerWaalsContact O-N 3.16Å
381A78.5Confident87.6Confident35 Ų3572.9 Ų72.929%0.28939%0.394SS..  trans-53.5143.6170.200000112.4L373 E378 T383L373-A381 HydrophobicContact CD1-CB 3.92Å; L373-A381 HydrophobicContact CG-CB 4.33Å; E378-A381 WeakPolarHBondContact O-CB 3.49Å; E378-A381 PolarHBondContact O-N 3.49Å; A381-T383 PolarHBondContact O-N 3.24Å; A381-T383 VanDerWaalsContact O-N 3.14Å
382D85.3Confident87.7Confident56 Ų5678.9 Ų78.930%0.29942%0.418SS..  trans-67.6109.3-178.4-178.28.4000111.4N286 L373 E384 M385 R388N286-D382 PolarHBondContact ND2-O 3.09Å; N286-D382 PolarHBondContact OD1-O 3.05Å; L373-D382 HydrophobicContact CD2-CB 4.27Å; L373-D382 VanDerWaalsContact CD2-O 3.23Å; L373-D382 WeakPolarHBondContact CD2-O 3.34Å; D382-E384 VanDerWaalsContact C-N 3.3Å; D382-E384 WeakPolarHBondContact OD1-CB 3.49Å; D382-E384 PolarHBondContact OD1-N 3.18Å; D382-M385 PolarHBondContact OD1-N 2.92Å; D382-R388 IonicContact OD1-CZ 2.8Å; D382-R388 IonicContact OD1-NH1 3.18Å; D382-R388 IonicContact OD1-NH2 3.93Å; D382-R388 PolarHBondContact OD1-NH2 2.83Å; D382-R388 IonicContact OD2-CZ 3.31Å; D382-R388 IonicContact OD2-NH1 3.29Å; D382-R388 PolarHBondContact OD2-NH1 2.92Å; D382-R388 IonicContact OD2-NH2 3.53Å
383T83.7Confident87.7Confident88 Ų8873.7 Ų73.754%0.5440%0.398SS..THydrogen-bonded Turntrans-82.1-7.4177.5540000113.4P285 N286 A381P285-T383 HydrophobicContact CG-CG2 4.05Å; N286-T383 VanDerWaalsContact OD1-C 3.24Å; N286-T383 PolarHBondContact OD1-O 3.36Å; A381-T383 PolarHBondContact O-N 3.24Å; A381-T383 VanDerWaalsContact O-N 3.14Å
384E88.6Confident87.7Confident103 Ų10374.5 Ų74.548%0.48140%0.4SS..THydrogen-bonded Turntrans-101.6-4.3-178.1-60.2-176.2162.100113.1D382 G386 I387 R388D382-E384 VanDerWaalsContact C-N 3.3Å; D382-E384 WeakPolarHBondContact OD1-CB 3.49Å; D382-E384 PolarHBondContact OD1-N 3.18Å; E384-G386 PolarHBondContact O-N 3.38Å; E384-I387 WeakPolarHBondContact O-CB 3.49Å; E384-I387 PolarHBondContact O-N 3.39Å; E384-R388 PolarHBondContact O-N 2.96Å; E384-R388 VanDerWaalsContact O-N 3.11Å; E384-R388 IonicContact OE2-NH2 3.23Å; E384-R388 PolarHBondContact OE2-NH2 3.29Å
385M90.8Very high87.8Confident47 Ų4779.5 Ų79.523%0.23242%0.421CS..Hα-helixtrans-56.1-36.4178.4178.357.8-178.900111.5N286 I369 L373 D382 I387 R388 A389N286-M385 WeakPolarHBondContact OD1-CB 3.48Å; N286-M385 PolarHBondContact OD1-N 2.87Å; N286-M385 VanDerWaalsContact OD1-N 3.1Å; I369-M385 HydrophobicContact CG2-CE 4.44Å; L373-M385 HydrophobicContact CD2-CB 3.92Å; L373-M385 HydrophobicContact CD2-CG 4.26Å; D382-M385 PolarHBondContact OD1-N 2.92Å; M385-I387 PolarHBondContact O-N 2.84Å; M385-R388 PolarHBondContact O-N 3.15Å; M385-A389 WeakPolarHBondContact O-CB 3.24Å; M385-A389 PolarHBondContact O-N 2.99Å
386G90.9Very high87.9Confident0 Ų080 Ų800%042%0.417CS..Hα-helixtrans-58.8-42.2174.200000113.3N286 E384 A389 R390N286-G386 WeakPolarHBondContact O-CA 3.24Å; N286-G386 PolarHBondContact OD1-N 3.44Å; E384-G386 PolarHBondContact O-N 3.38Å; G386-A389 PolarHBondContact O-N 3.07Å; G386-R390 WeakPolarHBondContact O-CB 3.36Å; G386-R390 PolarHBondContact O-N 2.99Å
387I93.5Very high88Confident104 Ų10475 Ų7553%0.53339%0.391SS..Hα-helixtrans-66.7-47.2178.5-57.8172.3000110A289 E384 M385 A389 R390 A391A289-I387 HydrophobicContact CB-CG1 4.05Å; E384-I387 WeakPolarHBondContact O-CB 3.49Å; E384-I387 PolarHBondContact O-N 3.39Å; M385-I387 PolarHBondContact O-N 2.84Å; I387-A389 VanDerWaalsContact C-N 3.32Å; I387-A389 PolarHBondContact O-N 3.24Å; I387-R390 PolarHBondContact O-N 3.03Å; I387-A391 PolarHBondContact O-N 3.35Å
388R94.7Very high88.5Confident126 Ų12681.9 Ų81.948%0.47541%0.406SS..Hα-helixtrans-63.8-38.9177.9-59.7-171.4-154.7117.914.6111.7D382 E384 M385 Y392D382-R388 IonicContact OD1-CZ 2.8Å; D382-R388 IonicContact OD1-NH1 3.18Å; D382-R388 IonicContact OD1-NH2 3.93Å; D382-R388 PolarHBondContact OD1-NH2 2.83Å; D382-R388 IonicContact OD2-CZ 3.31Å; D382-R388 IonicContact OD2-NH1 3.29Å; D382-R388 PolarHBondContact OD2-NH1 2.92Å; D382-R388 IonicContact OD2-NH2 3.53Å; E384-R388 PolarHBondContact O-N 2.96Å; E384-R388 VanDerWaalsContact O-N 3.11Å; E384-R388 IonicContact OE2-NH2 3.23Å; E384-R388 PolarHBondContact OE2-NH2 3.29Å; M385-R388 PolarHBondContact O-N 3.15Å; R388-Y392 WeakPolarHBondContact O-CB 3.48Å; R388-Y392 PolarHBondContact O-N 2.92Å
389A93.3Very high89.1Confident2 Ų276.9 Ų76.92%0.01738%0.383CS..Hα-helixtrans-64.5-41.4175.700000111.9L290 K366 M385 G386 I387 Y392 L393L290-A389 HydrophobicContact CD1-CB 3.93Å; K366-A389 HydrophobicContact CB-CB 4.21Å; K366-A389 HydrophobicContact CD-CB 4.09Å; K366-A389 HydrophobicContact CG-CB 4.25Å; M385-A389 WeakPolarHBondContact O-CB 3.24Å; M385-A389 PolarHBondContact O-N 2.99Å; G386-A389 PolarHBondContact O-N 3.07Å; I387-A389 VanDerWaalsContact C-N 3.32Å; I387-A389 PolarHBondContact O-N 3.24Å; A389-Y392 WeakPolarHBondContact O-CB 3.46Å; A389-Y392 PolarHBondContact O-N 2.92Å; A389-L393 WeakPolarHBondContact O-CG 3.26Å; A389-L393 PolarHBondContact O-N 3.27Å
390R94Very high90Very high86 Ų8667.4 Ų67.433%0.32534%0.339SS..Hα-helixtrans-63.2-50175.3-179.9165.3177.9168-0.8112A289 L290 L347 G386 I387 Y392 L393 E394A289-R390 WeakPolarHBondContact O-CD 3.36Å; A289-R390 PolarHBondContact O-NH1 2.8Å; A289-R390 VanDerWaalsContact O-NH1 3.11Å; L290-R390 HydrophobicContact CD1-CB 4.1Å; L347-R390 HydrophobicContact CD1-CG 4.42Å; G386-R390 WeakPolarHBondContact O-CB 3.36Å; G386-R390 PolarHBondContact O-N 2.99Å; I387-R390 PolarHBondContact O-N 3.03Å; R390-Y392 VanDerWaalsContact C-N 3.25Å; R390-Y392 PolarHBondContact O-N 2.78Å; R390-L393 PolarHBondContact O-N 3.37Å; R390-E394 HydrophobicContact CG-CG 4.5Å; R390-E394 WeakPolarHBondContact CG-OE1 3.33Å; R390-E394 IonicContact NE-OE1 2.76Å; R390-E394 PolarHBondContact NE-OE1 2.98Å; R390-E394 WeakPolarHBondContact O-CG 3.37Å; R390-E394 PolarHBondContact O-N 2.99Å
391A94.5Very high90.7Very high53 Ų5367.5 Ų67.544%0.43832%0.317SS..Hα-helixtrans-57.8-38.9176.300000112.3I387 K395I387-A391 PolarHBondContact O-N 3.35Å; A391-K395 WeakPolarHBondContact O-CB 3.44Å; A391-K395 PolarHBondContact O-N 2.72Å
392Y95Very high91Very high127 Ų12769.1 Ų69.150%0.49833%0.33SS..Hα-helixtrans-61.5-44.4173.4174.2-92.1000112.4R388 A389 R390 R396R388-Y392 WeakPolarHBondContact O-CB 3.48Å; R388-Y392 PolarHBondContact O-N 2.92Å; A389-Y392 WeakPolarHBondContact O-CB 3.46Å; A389-Y392 PolarHBondContact O-N 2.92Å; R390-Y392 VanDerWaalsContact C-N 3.25Å; R390-Y392 PolarHBondContact O-N 2.78Å; Y392-R396 WeakPolarHBondContact O-CB 3.3Å; Y392-R396 PolarHBondContact O-N 3.06Å
393L93.9Very high90.6Very high1 Ų169.1 Ų69.11%0.00534%0.344CS..Hα-helixtrans-69-38.8179.3-69.2177000112.4L290 L347 M359 M362 L363 K366 A389 R390 R396 L397L290-L393 HydrophobicContact CD1-CD1 3.83Å; L347-L393 HydrophobicContact CD1-CB 3.91Å; L347-L393 HydrophobicContact CD1-CD1 3.91Å; M359-L393 HydrophobicContact CE-CB 4.41Å; M362-L393 HydrophobicContact CB-CD2 3.58Å; L363-L393 HydrophobicContact CB-CD1 4.23Å; L363-L393 HydrophobicContact CD1-CD1 3.52Å; K366-L393 HydrophobicContact CB-CD1 4.35Å; K366-L393 HydrophobicContact CG-CD1 4.32Å; K366-L393 HydrophobicContact CG-CD2 4.39Å; K366-L393 HydrophobicContact CG-CG 4.42Å; A389-L393 WeakPolarHBondContact O-CG 3.26Å; A389-L393 PolarHBondContact O-N 3.27Å; R390-L393 PolarHBondContact O-N 3.37Å; L393-R396 CarbonylContact O-C 3.56Å; L393-R396 WeakPolarHBondContact O-CB 3.34Å; L393-R396 PolarHBondContact O-N 3.32Å; L393-R396 VanDerWaalsContact O-N 3.14Å; L393-L397 PolarHBondContact O-N 2.87Å
394E93.9Very high89.6Confident68 Ų6870 Ų7032%0.31835%0.349SS..Hα-helixtrans-62.2-45.8174.6-71.6174.9-176.500111.3L347 R390 R396 L397 R398L347-E394 HydrophobicContact CD2-CG 3.41Å; L347-E394 VanDerWaalsContact CD2-CG 3.41Å; R390-E394 HydrophobicContact CG-CG 4.5Å; R390-E394 WeakPolarHBondContact CG-OE1 3.33Å; R390-E394 IonicContact NE-OE1 2.76Å; R390-E394 PolarHBondContact NE-OE1 2.98Å; R390-E394 WeakPolarHBondContact O-CG 3.37Å; R390-E394 PolarHBondContact O-N 2.99Å; E394-R396 PolarHBondContact O-N 3.04Å; E394-L397 WeakPolarHBondContact O-CB 3.48Å; E394-L397 PolarHBondContact O-N 3.2Å; E394-R398 WeakPolarHBondContact O-CG 3.49Å; E394-R398 PolarHBondContact O-N 2.97Å; E394-R398 VanDerWaalsContact O-N 3.09Å
395K93.7Very high87.9Confident135 Ų13568.8 Ų68.859%0.58734%0.342SS*.Hα-helixtrans-59.3-38.7172.9-176.5174.5-177.41730111.3A391 Q399A391-K395 WeakPolarHBondContact O-CB 3.44Å; A391-K395 PolarHBondContact O-N 2.72Å; K395-Q399 WeakPolarHBondContact O-CG 3.48Å; K395-Q399 PolarHBondContact O-N 3.33Å; K395-Q399 VanDerWaalsContact O-N 3.13Å
396R91.5Very high86Confident38 Ų3870.6 Ų70.614%0.14335%0.353CS..Hα-helixtrans-69.5-37.8179.6-16856.4168.7166.63.6112.3M362 Y392 L393 E394 Q399 L400 F405M362-R396 HydrophobicContact CE-CG 3.79Å; M362-R396 HydrophobicContact SD-CG 3.65Å; Y392-R396 WeakPolarHBondContact O-CB 3.3Å; Y392-R396 PolarHBondContact O-N 3.06Å; L393-R396 CarbonylContact O-C 3.56Å; L393-R396 WeakPolarHBondContact O-CB 3.34Å; L393-R396 PolarHBondContact O-N 3.32Å; L393-R396 VanDerWaalsContact O-N 3.14Å; E394-R396 PolarHBondContact O-N 3.04Å; R396-Q399 PolarHBondContact O-N 3.43Å; R396-L400 VanDerWaalsContact O-CG 3.31Å; R396-L400 WeakPolarHBondContact O-CG 3.05Å; R396-L400 PolarHBondContact O-N 3.2Å; R396-F405 VanDerWaalsContact NH1-CE2 3.33Å
397L91.5Very high84.2Confident11 Ų1174.3 Ų74.36%0.05838%0.377CS..Hα-helixtrans-60.1-51.8174.217956.1000110.5M359 L393 E394 Q399 L400 E401M359-L397 HydrophobicContact CE-CB 3.89Å; M359-L397 HydrophobicContact CE-CD1 4.42Å; M359-L397 HydrophobicContact CG-CD1 3.95Å; M359-L397 HydrophobicContact SD-CB 4.07Å; M359-L397 HydrophobicContact SD-CD1 4.02Å; L393-L397 PolarHBondContact O-N 2.87Å; E394-L397 WeakPolarHBondContact O-CB 3.48Å; E394-L397 PolarHBondContact O-N 3.2Å; L397-Q399 VanDerWaalsContact C-N 3.26Å; L397-Q399 PolarHBondContact O-N 3.28Å; L397-L400 WeakPolarHBondContact O-CB 3.13Å; L397-L400 PolarHBondContact O-N 2.83Å; L397-E401 HydrophobicContact CD1-CG 4.22Å; L397-E401 VanDerWaalsContact CD1-OE1 3.32Å; L397-E401 WeakPolarHBondContact CD1-OE1 2.97Å; L397-E401 PolarHBondContact O-N 3.3Å
398R90.8Very high82.1Confident178 Ų17876.9 Ų76.967%0.67238%0.384SS*.Hα-helixtrans-55.6-39.4176.6-67.2179.9-172.8173.44.4112.9E394 L400 A402E394-R398 WeakPolarHBondContact O-CG 3.49Å; E394-R398 PolarHBondContact O-N 2.97Å; E394-R398 VanDerWaalsContact O-N 3.09Å; R398-L400 VanDerWaalsContact C-N 3.32Å; R398-L400 PolarHBondContact O-N 3.46Å; R398-A402 WeakPolarHBondContact O-CB 3.16Å; R398-A402 PolarHBondContact O-N 3.5Å
399Q90.5Very high79.9Confident67 Ų6776.6 Ų76.631%0.31339%0.392SS..Hα-helixtrans-67.4-29.1176.5-75.1176.3-3.400114.1K395 R396 L397 T404 F405K395-Q399 WeakPolarHBondContact O-CG 3.48Å; K395-Q399 PolarHBondContact O-N 3.33Å; K395-Q399 VanDerWaalsContact O-N 3.13Å; R396-Q399 PolarHBondContact O-N 3.43Å; L397-Q399 VanDerWaalsContact C-N 3.26Å; L397-Q399 PolarHBondContact O-N 3.28Å; Q399-T404 PolarHBondContact O-N 3.01Å; Q399-F405 PolarHBondContact O-N 3.33Å
400L88.4Confident77.7Confident7 Ų779.8 Ų79.84%0.03741%0.414CS..Hα-helixtrans-77.7-43.4177.5-67.5170.6000110.6F355 K358 M359 M362 R396 L397 R398 G403 F405F355-L400 HydrophobicContact CD1-CB 4.3Å; F355-L400 HydrophobicContact CD2-CB 4.28Å; F355-L400 HydrophobicContact CE1-CB 4.44Å; F355-L400 HydrophobicContact CE2-CB 4.42Å; F355-L400 HydrophobicContact CG-CB 4.23Å; F355-L400 WeakPolarHBondContact CZ-O 3.42Å; K358-L400 HydrophobicContact CD-CD1 4.04Å; K358-L400 HydrophobicContact CD-CD2 4.02Å; M359-L400 HydrophobicContact SD-CD1 3.93Å; M362-L400 HydrophobicContact CE-CD1 3.82Å; R396-L400 VanDerWaalsContact O-CG 3.31Å; R396-L400 WeakPolarHBondContact O-CG 3.05Å; R396-L400 PolarHBondContact O-N 3.2Å; L397-L400 WeakPolarHBondContact O-CB 3.13Å; L397-L400 PolarHBondContact O-N 2.83Å; R398-L400 VanDerWaalsContact C-N 3.32Å; R398-L400 PolarHBondContact O-N 3.46Å; L400-G403 PolarHBondContact O-N 3.42Å; L400-F405 HydrophobicContact CD2-CB 4.33Å; L400-F405 HydrophobicContact CD2-CD1 4.35Å
401E87.2Confident75.3Confident85 Ų8578.6 Ų78.640%0.39742%0.422SS..Hα-helixtrans-67.3-42.5178.5-69.7170.6171.500111.9L397 G403L397-E401 HydrophobicContact CD1-CG 4.22Å; L397-E401 VanDerWaalsContact CD1-OE1 3.32Å; L397-E401 WeakPolarHBondContact CD1-OE1 2.97Å; L397-E401 PolarHBondContact O-N 3.3Å; E401-G403 PolarHBondContact O-N 3.01Å
402A85.9Confident72.8Confident69 Ų6980.4 Ų80.457%0.5743%0.428SS*.THydrogen-bonded Turntrans-68.6-0.2176.700000114R398 T404R398-A402 WeakPolarHBondContact O-CB 3.16Å; R398-A402 PolarHBondContact O-N 3.5Å; A402-T404 VanDerWaalsContact CB-OG1 3.27Å; A402-T404 WeakPolarHBondContact CB-OG1 3.39Å; A402-T404 PolarHBondContact O-N 3.24Å; A402-T404 PolarHBondContact O-OG1 3.31Å
403G76.4Confident69.9Low56 Ų5683.1 Ų83.158%0.57744%0.442SS*.SBendtrans62.90.8-17700000114.7L400 E401 F405L400-G403 PolarHBondContact O-N 3.42Å; E401-G403 PolarHBondContact O-N 3.01Å; G403-F405 PolarHBondContact O-N 3.18Å
404T62.7Low67.5Low108 Ų10894 Ų9466%0.66348%0.483SS*.  trans-70.5-16.3-173.7-25.60000111.9Q399 A402 N406Q399-T404 PolarHBondContact O-N 3.01Å; A402-T404 VanDerWaalsContact CB-OG1 3.27Å; A402-T404 WeakPolarHBondContact CB-OG1 3.39Å; A402-T404 PolarHBondContact O-N 3.24Å; A402-T404 PolarHBondContact O-OG1 3.31Å; T404-N406 VanDerWaalsContact C-N 3.27Å; T404-N406 PolarHBondContact O-N 3.36Å
405F52.6Low64.7Low76 Ų7693.5 Ų93.533%0.33350%0.496SS..  trans-78.977.5171.1-166.6-104.3000111.4R396 Q399 L400 G403 P407R396-F405 VanDerWaalsContact NH1-CE2 3.33Å; Q399-F405 PolarHBondContact O-N 3.33Å; L400-F405 HydrophobicContact CD2-CB 4.33Å; L400-F405 HydrophobicContact CD2-CD1 4.35Å; G403-F405 PolarHBondContact O-N 3.18Å; F405-P407 WeakPolarHBondContact O-CD 3.42Å
406N50.8Low61.9Low86 Ų8693.5 Ų93.546%0.4650%0.502SS..  trans-83.8104.2173.2-146.5-10.7000108.9T404 K408 L409T404-N406 VanDerWaalsContact C-N 3.27Å; T404-N406 PolarHBondContact O-N 3.36Å; N406-K408 PolarHBondContact O-N 3.14Å; N406-L409 HydrophobicContact CB-CD1 4.04Å; N406-L409 PolarHBondContact O-N 3.48Å; N406-L409 VanDerWaalsContact O-N 3.11Å
407P53.7Low59Low77 Ų77101.6 Ų101.650%0.554%0.538SS..Hα-helixtrans-58.5-23.2179.922.3-32000112.4F405 L409 S410 A411F405-P407 WeakPolarHBondContact O-CD 3.42Å; P407-L409 VanDerWaalsContact C-N 3.34Å; P407-L409 PolarHBondContact O-N 3.23Å; P407-S410 PolarHBondContact O-N 2.83Å; P407-S410 PolarHBondContact O-OG 3.46Å; P407-A411 PolarHBondContact O-N 2.82Å
408K49.5Very low56.2Low158 Ų158106.1 Ų106.169%0.68757%0.571SS**Hα-helixtrans-60.7-35.2176.4-66.9-174.4178.3-179.50113.3N406 S410 A411 V412N406-K408 PolarHBondContact O-N 3.14Å; K408-S410 VanDerWaalsContact C-N 3.33Å; K408-S410 PolarHBondContact O-N 2.7Å; K408-A411 WeakPolarHBondContact O-CB 3.35Å; K408-A411 PolarHBondContact O-N 2.69Å; K408-V412 WeakPolarHBondContact O-CG2 3.39Å; K408-V412 PolarHBondContact O-N 2.86Å
409L48.6Very low53.7Low121 Ų121107.2 Ų107.263%0.63458%0.583SS**Hα-helixtrans-69.9-28.9178.1-93.1136.8000113.1N406 P407 V412 K413N406-L409 HydrophobicContact CB-CD1 4.04Å; N406-L409 PolarHBondContact O-N 3.48Å; N406-L409 VanDerWaalsContact O-N 3.11Å; P407-L409 VanDerWaalsContact C-N 3.34Å; P407-L409 PolarHBondContact O-N 3.23Å; L409-V412 PolarHBondContact O-N 3.5Å; L409-K413 PolarHBondContact O-N 3.21Å
410S45.6Very low51.1Low69 Ų69111 Ų11148%0.48361%0.606SS.*Hα-helixtrans-75.8-29.2172.5710000112.8P407 K408 R414P407-S410 PolarHBondContact O-N 2.83Å; P407-S410 PolarHBondContact O-OG 3.46Å; K408-S410 VanDerWaalsContact C-N 3.33Å; K408-S410 PolarHBondContact O-N 2.7Å; S410-R414 PolarHBondContact O-N 2.75Å
411A43.7Very low48.3Very low60 Ų60114.5 Ų114.550%0.49664%0.643SS.*Hα-helixtrans-70.4-37.2170.700000111.3P407 K408 K413 R414 G415P407-A411 PolarHBondContact O-N 2.82Å; K408-A411 WeakPolarHBondContact O-CB 3.35Å; K408-A411 PolarHBondContact O-N 2.69Å; A411-K413 VanDerWaalsContact C-N 3.35Å; A411-K413 PolarHBondContact O-N 2.86Å; A411-R414 CarbonylContact O-C 3.44Å; A411-R414 WeakPolarHBondContact O-CA 3.49Å; A411-R414 PolarHBondContact O-N 3.42Å; A411-G415 PolarHBondContact O-N 3.19Å
412V42.9Very low45.5Very low92 Ų92118.8 Ų118.856%0.55866%0.663SS**Hα-helixtrans-63-39174.2173.80000111.6K408 L409 R414 G415 L416K408-V412 WeakPolarHBondContact O-CG2 3.39Å; K408-V412 PolarHBondContact O-N 2.86Å; L409-V412 PolarHBondContact O-N 3.5Å; V412-R414 PolarHBondContact O-N 3.16Å; V412-G415 PolarHBondContact O-N 3.27Å; V412-G415 VanDerWaalsContact O-N 3.16Å; V412-L416 PolarHBondContact O-N 3.48Å
413K34.6Very low42.9Very low184 Ų184121.6 Ų121.680%0.868%0.676SS**Hα-helixtrans-66-22.6172.1-91.2-169.9175.8-175.80114.3L409 A411L409-K413 PolarHBondContact O-N 3.21Å; A411-K413 VanDerWaalsContact C-N 3.35Å; A411-K413 PolarHBondContact O-N 2.86Å
414R42.6Very low40.7Very low230 Ų230128.9 Ų128.987%0.86869%0.692SS**Hα-helixtrans-93.4-12172.6-76.5-175.9177.9168.1-1.3113.7S410 A411 V412S410-R414 PolarHBondContact O-N 2.75Å; A411-R414 CarbonylContact O-C 3.44Å; A411-R414 WeakPolarHBondContact O-CA 3.49Å; A411-R414 PolarHBondContact O-N 3.42Å; V412-R414 PolarHBondContact O-N 3.16Å
415G36.1Very low39.4Very low57 Ų57128.8 Ų128.859%0.58870%0.695SS**Hα-helixtrans-94.3-3.4-179.300000114.4A411 V412 K417A411-G415 PolarHBondContact O-N 3.19Å; V412-G415 PolarHBondContact O-N 3.27Å; V412-G415 VanDerWaalsContact O-N 3.16Å; G415-K417 PolarHBondContact O-N 3.03Å
416L34Very low38.5Very low135 Ų135135.2 Ų135.271%0.70772%0.723SS**SBendtrans-80.298.7167.7-78.7143.6000108.4V412V412-L416 PolarHBondContact O-N 3.48Å
417K30.4Very low37.6Very low208 Ų208140.1 Ų140.190%0.90474%0.74SS**  trans106.579.6172.1-59.5-177.8176.9-172.40115.4G415G415-K417 PolarHBondContact O-N 3.03Å
418S32Very low36.9Very low106 Ų106145.4 Ų145.474%0.74176%0.761SS**  trans-149.8120.8131.857.30000107.7D420S418-D420 PolarHBondContact O-N 2.97Å
419E39Very low36.2Very low200 Ų200146.3 Ų146.394%0.93576%0.764SS**  trans-70.2-0.8-170.8-84.3179.5144.100115.7
420D36Very low35.7Very low148 Ų148147.1 Ų147.179%0.79177%0.774SS**  trans-108.799.2-179.9-67.1-47.7000112S418 Q422S418-D420 PolarHBondContact O-N 2.97Å; D420-Q422 PolarHBondContact O-N 3.49Å
421G30.3Very low35.8Very low79 Ų79150.2 Ų150.281%0.81479%0.785SS**  trans-73.472.9-178.400000114.5
422Q28.4Very low35.6Very low176 Ų176160.1 Ų160.182%0.82282%0.821SS**  trans-132.2126.5160.1-73.9-169.6-3.300113.2D420 K424D420-Q422 PolarHBondContact O-N 3.49Å; Q422-K424 PolarHBondContact O-N 3.2Å
423P30.3Very low35.2Very low128 Ų128163.6 Ų163.683%0.83184%0.835SS**  trans-75.4120.6-177.628.4-31.6000111.6S425P423-S425 PolarHBondContact O-N 3.19Å; P423-S425 VanDerWaalsContact O-N 3.09Å
424K31.6Very low35.3Very low209 Ų209162.5 Ų162.591%0.90984%0.836SS**  trans-63.4108.6172.7-76.2-175176.11790110.6Q422 K426Q422-K424 PolarHBondContact O-N 3.2Å; K424-K426 PolarHBondContact O-N 2.98Å
425S33.9Very low34.9Very low105 Ų105158.7 Ų158.773%0.73484%0.835SS**  trans-66.9122.4170.253.60000110.2P423 K427P423-S425 PolarHBondContact O-N 3.19Å; P423-S425 VanDerWaalsContact O-N 3.09Å; S425-K427 PolarHBondContact O-N 3.42Å; S425-K427 VanDerWaalsContact O-N 3.1Å
426K35Very low34.8Very low212 Ų212164.7 Ų164.792%0.92285%0.849SS**  trans-74.295.4172.3-79.5-178175179.80109.2K424K424-K426 PolarHBondContact O-N 2.98Å
427K30.6Very low34.8Very low188 Ų188166.6 Ų166.682%0.81786%0.858SS**  trans-106.997.3156.9-76.6-174.8175.8-178.90107.8S425S425-K427 PolarHBondContact O-N 3.42Å; S425-K427 VanDerWaalsContact O-N 3.1Å
428M39.2Very low35.1Very low189 Ų189163.8 Ų163.893%0.93186%0.855SS**  trans-90.3106.5154-89.2178.56700105.6
429K34.8Very low35.3Very low176 Ų176167.9 Ų167.977%0.76586%0.863SS**  trans-58.5135.2172.4-83.9178.4165.2-172.70109.3
430V38Very low35.1Very low138 Ų138165.5 Ų165.584%0.83686%0.858SS**  trans-76.3112.4155.9177.40000104.2
431D49Very low35Very low135 Ų135166.9 Ų166.972%0.72286%0.863SS**  trans-99.6132.5164.5-70.3-28.5000106.8
432E38.9Very low35.4Very low268 Ų268174.9 Ų174.9100%1.25287%0.868SS**  trans-57.10-171.4-69.2172.4144.700115.1

Retrieved 432 of 432 residues in 417.4 ms (Link to these results)

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