A0A077ZJ88_TRITR Loading...

[formate-C-acetyltransferase]-activating enzyme

AlphaFold DB , UniProt , Accession A0A077ZJ88, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 616 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
1M30.5Very low54.8Low241 Ų241126 Ų126100%1.18758%0.579SS**  080.60-156.1173.2-169.500105.7
2F29.5Very low58.1Low206 Ų206117.9 Ų117.990%0.90454%0.542SS*.  trans-81.9123.5-177.9-81.9-87.7000108.1R4F2-R4 PolarHBondContact O-N 2.67Å
3E28.5Very low60.9Low188 Ų188114.4 Ų114.488%0.87953%0.53SS*.  trans-55.2104.6166.7-76.4175.4144.600107.8N5E3-N5 VanDerWaalsContact C-N 3.34Å; E3-N5 PolarHBondContact O-N 3.28Å
4R37.3Very low63.5Low223 Ų223108.2 Ų108.284%0.84250%0.502SS*.  trans-69.199.2170.2-72.2-178-163-176.31.3106.5F2 R6F2-R4 PolarHBondContact O-N 2.67Å; R4-R6 PolarHBondContact O-N 3.09Å
5N38.8Very low65.7Low117 Ų117106.9 Ų106.963%0.62650%0.496SS*.  trans-44.1116.9165.1-98.6-4.6000108.6E3 E7E3-N5 VanDerWaalsContact C-N 3.34Å; E3-N5 PolarHBondContact O-N 3.28Å; N5-E7 HydrophobicContact CB-CG 4.02Å; N5-E7 WeakPolarHBondContact CB-OE1 3.26Å; N5-E7 PolarHBondContact ND2-OE1 2.88Å; N5-E7 PolarHBondContact O-N 2.98Å
6R47Very low67.6Low242 Ų242106.3 Ų106.391%0.91349%0.488SS*.  trans-72.665.2167-71.2-175.3179.3-173.8-0.5108.2R4 A8R4-R6 PolarHBondContact O-N 3.09Å; R6-A8 PolarHBondContact O-N 3.28Å
7E57.9Low69.1Low73 Ų73106.2 Ų106.234%0.34148%0.483SS..  trans-78.1111.3171.5-80.8166-153.100106.8N5 E148 M149N5-E7 HydrophobicContact CB-CG 4.02Å; N5-E7 WeakPolarHBondContact CB-OE1 3.26Å; N5-E7 PolarHBondContact ND2-OE1 2.88Å; N5-E7 PolarHBondContact O-N 2.98Å; E7-E148 WeakPolarHBondContact OE2-CB 3.14Å; E7-M149 HydrophobicContact CB-CE 4.47Å; E7-M149 WeakPolarHBondContact O-CE 3.24Å
8A67Low70.5Confident61 Ų61100.6 Ų100.650%0.50446%0.459SS..EExtended strand (participates in β ladder)trans-92.6134.917900000108.2R6 V112R6-A8 PolarHBondContact O-N 3.28Å; A8-V112 HydrophobicContact CB-CG1 3.21Å
9T78.6Confident71.5Confident5 Ų5100 Ų1003%0.03146%0.463CS..EExtended strand (participates in β ladder)trans-116.2144.3-172.8-83.50000111.6I11 L31 V112 K113 Q146 M149T9-I11 HydrophobicContact CG2-CG2 3.72Å; T9-I11 PolarHBondContact O-N 3.07Å; T9-L31 HydrophobicContact CG2-CD2 4.19Å; T9-V112 CarbonylContact O-C 3.44Å; T9-V112 VanDerWaalsContact O-CA 3.28Å; T9-V112 WeakPolarHBondContact O-CA 3.43Å; T9-K113 PolarHBondContact N-O 3.35Å; T9-K113 PolarHBondContact O-N 3Å; T9-Q146 PolarHBondContact OG1-OE1 3.26Å; T9-M149 VanDerWaalsContact CB-CE 3.47Å; T9-M149 HydrophobicContact CG2-CB 4.28Å; T9-M149 HydrophobicContact CG2-CG 3.59Å; T9-M149 HydrophobicContact CG2-SD 4.47Å; T9-M149 WeakPolarHBondContact OG1-CB 3.5Å; T9-M149 WeakPolarHBondContact OG1-CE 3.25Å; T9-M149 WeakPolarHBondContact OG1-CG 3.42Å
10M92.4Very high72.3Confident30 Ų30102.9 Ų102.915%0.14848%0.477CS..EExtended strand (participates in β ladder)trans-83.3105.6173.4-167.271.564.400109.6K32 Q51 E111 V112 Q146M10-K32 HydrophobicContact CB-CB 4.22Å; M10-K32 HydrophobicContact CG-CB 3.8Å; M10-K32 HydrophobicContact CG-CD 3.61Å; M10-K32 HydrophobicContact CG-CG 4.02Å; M10-K32 PolarHBondContact O-N 2.99Å; M10-K32 HydrophobicContact SD-CD 4.44Å; M10-Q51 HydrophobicContact CE-CG 3.93Å; M10-Q51 HydrophobicContact SD-CG 3.78Å; M10-E111 WeakPolarHBondContact CA-O 3.27Å; M10-V112 HydrophobicContact CE-CG2 3.59Å; M10-V112 HydrophobicContact SD-CG2 4.09Å; M10-Q146 PolarHBondContact O-NE2 3.35Å
11I95.3Very high73.2Confident0 Ų099.2 Ų99.20%046%0.461CS..EExtended strand (participates in β ladder)trans-107.2163.4169.171.2169.8000109.3T9 I14 V29 F30 L31 G110 E111 K113 I118T9-I11 HydrophobicContact CG2-CG2 3.72Å; T9-I11 PolarHBondContact O-N 3.07Å; I11-I14 HydrophobicContact CD1-CD1 3.69Å; I11-I14 HydrophobicContact CD1-CG1 3.54Å; I11-V29 HydrophobicContact CG2-CG1 3.99Å; I11-F30 CarbonylContact C-O 3.5Å; I11-F30 VanDerWaalsContact CA-O 3.32Å; I11-F30 WeakPolarHBondContact CA-O 3.35Å; I11-F30 WeakPolarHBondContact CB-O 3.34Å; I11-L31 HydrophobicContact CG2-CG 4.5Å; I11-G110 CarbonylContact O-C 3.54Å; I11-G110 VanDerWaalsContact O-CA 3.27Å; I11-G110 WeakPolarHBondContact O-CA 3.45Å; I11-E111 HydrophobicContact CD1-CG 4.32Å; I11-E111 HydrophobicContact CG1-CG 3.65Å; I11-E111 PolarHBondContact N-O 3Å; I11-E111 PolarHBondContact O-N 3.44Å; I11-K113 HydrophobicContact CD1-CB 4.47Å; I11-K113 HydrophobicContact CD1-CD 3.87Å; I11-K113 HydrophobicContact CD1-CG 4.46Å; I11-I118 HydrophobicContact CD1-CD1 4.41Å; I11-I118 HydrophobicContact CD1-CG1 4.32Å; I11-I118 HydrophobicContact CG2-CD1 3.96Å
12F94.6Very high76.2Confident29 Ų2988.5 Ų88.513%0.12741%0.412CS..EExtended strand (participates in β ladder)trans-120-16.2173.672.7-92.1000114.4F30 L31 K32 N43 E45F12-F30 HydrophobicContact CD1-CB 3.82Å; F12-F30 WeakPolarHBondContact CD1-O 3.49Å; F12-F30 HydrophobicContact CD2-CB 4.25Å; F12-F30 HydrophobicContact CE1-CB 3.46Å; F12-F30 VanDerWaalsContact CE1-CB 3.46Å; F12-F30 HydrophobicContact CE1-CD1 4.37Å; F12-F30 HydrophobicContact CE1-CG 4.31Å; F12-F30 HydrophobicContact CE2-CB 3.9Å; F12-F30 HydrophobicContact CE2-CD1 4.44Å; F12-F30 HydrophobicContact CE2-CG 4.23Å; F12-F30 HydrophobicContact CG-CB 4.21Å; F12-F30 HydrophobicContact CZ-CB 3.5Å; F12-F30 VanDerWaalsContact CZ-CB 3.5Å; F12-F30 AromaticContact CZ-CD1 3.81Å; F12-F30 HydrophobicContact CZ-CD1 3.81Å; F12-F30 AromaticContact CZ-CG 3.9Å; F12-F30 HydrophobicContact CZ-CG 3.9Å; F12-F30 PolarHBondContact N-O 2.64Å; F12-L31 WeakPolarHBondContact CE1-O 3.44Å; F12-K32 HydrophobicContact CB-CD 3.98Å; F12-K32 HydrophobicContact CB-CG 3.87Å; F12-K32 HydrophobicContact CD1-CG 3.92Å; F12-K32 HydrophobicContact CG-CG 4.37Å; F12-N43 HydrophobicContact CE2-CB 4.47Å; F12-N43 HydrophobicContact CZ-CB 3.91Å; F12-E45 HydrophobicContact CD2-CG 4.17Å; F12-E45 HydrophobicContact CE2-CG 4.33Å
13N95.2Very high79.1Confident72 Ų7281.4 Ų81.439%0.38539%0.386SS..EExtended strand (participates in β ladder)trans-160.4153.8176.5-165.312.7000111.4F30N13-F30 HydrophobicContact CB-CB 4.06Å; N13-F30 HydrophobicContact CB-CD2 3.79Å; N13-F30 HydrophobicContact CB-CG 4.26Å; N13-F30 WeakPolarHBondContact O-CB 3.32Å; N13-F30 PolarHBondContact O-N 3.15Å
14I96.4Very high82.2Confident28 Ų2873.9 Ų73.914%0.14436%0.36CS..EExtended strand (participates in β ladder)trans-126.6109.3164.1-56.5-179.8000107.3I11 T27 V28 V29 I118 T121I11-I14 HydrophobicContact CD1-CD1 3.69Å; I11-I14 HydrophobicContact CD1-CG1 3.54Å; I14-T27 HydrophobicContact CG2-CG2 3.47Å; I14-T27 VanDerWaalsContact CG2-CG2 3.47Å; I14-V28 CarbonylContact C-O 3.57Å; I14-V28 WeakPolarHBondContact CA-O 3.41Å; I14-V29 HydrophobicContact CG1-CG2 4.47Å; I14-V29 HydrophobicContact CG2-CG2 4.39Å; I14-I118 HydrophobicContact CD1-CG1 4.44Å; I14-I118 HydrophobicContact CD1-CG2 4.45Å; I14-T121 HydrophobicContact CD1-CG2 4.4Å; I14-T121 HydrophobicContact CG2-CG2 3.96Å
15Q96.3Very high85Confident88 Ų8865.3 Ų65.341%0.41133%0.33SS..EExtended strand (participates in β ladder)trans-101120.2179-176.4174.7-17.300109.9T27 V28 F30Q15-T27 CarbonylContact O-C 3.58Å; Q15-T27 WeakPolarHBondContact O-CA 3.45Å; Q15-V28 HydrophobicContact CB-CB 4.47Å; Q15-V28 PolarHBondContact N-O 3.26Å; Q15-V28 PolarHBondContact O-N 3.4Å; Q15-F30 HydrophobicContact CB-CD2 4.43Å; Q15-F30 HydrophobicContact CB-CE2 3.7Å
16R96.3Very high87.7Confident97 Ų9759.8 Ų59.837%0.36630%0.3SS..EExtended strand (participates in β ladder)trans-94.7155.6177.8-62.3170.563.2-156.6-0.4109.8T27 D125R16-T27 HydrophobicContact CG-CG2 4.16Å; R16-D125 IonicContact CZ-OD1 4Å; R16-D125 IonicContact CZ-OD2 3.69Å; R16-D125 IonicContact NE-OD1 2.7Å; R16-D125 IonicContact NE-OD2 2.86Å; R16-D125 PolarHBondContact NE-OD2 3.07Å; R16-D125 VanDerWaalsContact NH2-CG 3.26Å; R16-D125 IonicContact NH2-OD1 2.93Å; R16-D125 PolarHBondContact NH2-OD1 3.31Å; R16-D125 IonicContact NH2-OD2 3.37Å; R16-D125 PolarHBondContact NH2-OD2 2.91Å; R16-D125 VanDerWaalsContact NH2-OD2 3.17Å
17Y93.5Very high90.2Very high105 Ų10548.2 Ų48.241%0.41226%0.257SS..EExtended strand (participates in β ladder)trans63.335.9178-64.4-95.5000115.7I25 R26 D125 F128Y17-I25 HydrophobicContact CD1-CG2 4.04Å; Y17-R26 PolarHBondContact N-O 3.28Å; Y17-D125 WeakPolarHBondContact CE2-OD1 3.35Å; Y17-D125 VanDerWaalsContact CZ-OD1 3.23Å; Y17-D125 PolarHBondContact OH-OD1 3.34Å; Y17-F128 HydrophobicContact CE1-CD1 4.15Å; Y17-F128 HydrophobicContact CE1-CD2 4.08Å; Y17-F128 HydrophobicContact CE1-CE1 4.17Å; Y17-F128 HydrophobicContact CE1-CE2 4.14Å; Y17-F128 HydrophobicContact CE1-CG 4.1Å; Y17-F128 HydrophobicContact CE1-CZ 4.16Å; Y17-F128 AromaticContact CZ-CE2 3.86Å; Y17-F128 VanDerWaalsContact OH-CD2 3.3Å; Y17-F128 WeakPolarHBondContact OH-CD2 3.34Å; Y17-F128 WeakPolarHBondContact OH-CE2 3.39Å; Y17-F128 VanDerWaalsContact OH-CZ 3.3Å; Y17-F128 WeakPolarHBondContact OH-CZ 3.15Å
18S93.5Very high92.1Very high5 Ų544.8 Ų44.84%0.03524%0.241CC..EExtended strand (participates in β ladder)trans-76.1144.1170.5-74.20000112.3D21 R26 V28S18-D21 WeakPolarHBondContact CB-OD2 3.41Å; S18-D21 PolarHBondContact OG-OD2 3.33Å; S18-D21 VanDerWaalsContact OG-OD2 3.07Å; S18-R26 PolarHBondContact N-O 3.48Å; S18-R26 PolarHBondContact O-N 3.27Å; S18-V28 WeakPolarHBondContact OG-CG2 3.46Å
19T90.4Very high93.6Very high90 Ų9041.9 Ų41.955%0.55222%0.217SC*.SBendtrans-119.9-5.5-179.252.90000114.4
20H86.2Confident94.4Very high158 Ų15842.4 Ų42.473%0.73122%0.219SC*.SBendtrans-111.6-8.5-176.3-62.3-68.7000113.6G22H20-G22 VanDerWaalsContact C-N 3.31Å; H20-G22 PolarHBondContact O-N 2.81Å
21D93.2Very high94.6Very high26 Ų2641 Ų4114%0.13921%0.211CC..SBendtrans-96.427.9-172.3-54.5-66.7000112.6S18 R26 V28 T137 L188S18-D21 WeakPolarHBondContact CB-OD2 3.41Å; S18-D21 PolarHBondContact OG-OD2 3.33Å; S18-D21 VanDerWaalsContact OG-OD2 3.07Å; D21-R26 VanDerWaalsContact O-CD 3.26Å; D21-R26 WeakPolarHBondContact O-CD 3.28Å; D21-V28 HydrophobicContact CB-CG2 3.66Å; D21-V28 WeakPolarHBondContact OD2-CG2 3.39Å; D21-T137 HydrophobicContact CB-CG2 4.16Å; D21-T137 WeakPolarHBondContact O-CG2 3.32Å; D21-T137 PolarHBondContact O-OG1 3.15Å; D21-L188 VanDerWaalsContact C-CD1 3.49Å; D21-L188 WeakPolarHBondContact O-CD1 3.28Å
22G92.7Very high94.6Very high16 Ų1641 Ų4117%0.16521%0.211CC..SBendtrans132.6-175.4-178.300000112.6H20 R26H20-G22 VanDerWaalsContact C-N 3.31Å; H20-G22 PolarHBondContact O-N 2.81Å; G22-R26 VanDerWaalsContact CA-CD 3.49Å
23P91.1Very high94.7Very high56 Ų5639.6 Ų39.636%0.36421%0.205SC..SBendtrans-69.6147.7-179.328.8-34.6000111.9R26 L186P23-R26 WeakPolarHBondContact O-CD 3.46Å; P23-R26 PolarHBondContact O-NH1 2.82Å; P23-L186 HydrophobicContact CG-CD2 4.48Å
24G93.1Very high94.7Very high31 Ų3137.5 Ų37.532%0.3220%0.196SC..SBendtrans65.1-165.2176.700000114.2S132G24-S132 WeakPolarHBondContact CA-O 3.23Å
25I94.9Very high94.7Very high43 Ų4338 Ų3822%0.22120%0.202CC..SBendtrans-82133.6177-65.6170.6000108.9Y17 F128 Y129 S132 G134 G135Y17-I25 HydrophobicContact CD1-CG2 4.04Å; I25-F128 HydrophobicContact CB-CB 4.46Å; I25-F128 HydrophobicContact CD1-CB 4.02Å; I25-F128 HydrophobicContact CD1-CD1 4.31Å; I25-F128 HydrophobicContact CG2-CB 4.31Å; I25-Y129 HydrophobicContact CG2-CE1 4.43Å; I25-Y129 WeakPolarHBondContact O-CD1 3.31Å; I25-Y129 WeakPolarHBondContact O-CE1 3.49Å; I25-S132 PolarHBondContact N-OG 3.42Å; I25-G134 CarbonylContact O-C 3.3Å; I25-G134 WeakPolarHBondContact O-CA 3.25Å; I25-G135 PolarHBondContact O-N 3.48Å; I25-G135 VanDerWaalsContact O-N 3.13Å
26R97.2Very high94.7Very high0 Ų034.1 Ų34.10%018%0.184CC..EExtended strand (participates in β ladder)trans-129.7149.8-174.7-47.4-166.17771.65.7113.1Y17 S18 D21 G22 P23 G135 L136 T137 H163Y17-R26 PolarHBondContact N-O 3.28Å; S18-R26 PolarHBondContact N-O 3.48Å; S18-R26 PolarHBondContact O-N 3.27Å; D21-R26 VanDerWaalsContact O-CD 3.26Å; D21-R26 WeakPolarHBondContact O-CD 3.28Å; G22-R26 VanDerWaalsContact CA-CD 3.49Å; P23-R26 WeakPolarHBondContact O-CD 3.46Å; P23-R26 PolarHBondContact O-NH1 2.82Å; R26-G135 CarbonylContact C-O 3.38Å; R26-G135 WeakPolarHBondContact CA-O 3.37Å; R26-G135 WeakPolarHBondContact CB-O 3.31Å; R26-L136 PolarHBondContact NH2-O 3.42Å; R26-T137 WeakPolarHBondContact CD-OG1 3.35Å; R26-T137 PolarHBondContact NE-OG1 3.19Å; R26-H163 PolarHBondContact NH1-ND1 2.86Å; R26-H163 PolarHBondContact NH2-ND1 2.73Å; R26-H163 PolarHBondContact NH2-O 3.25Å
27T98.2Very high94.6Very high0 Ų030.2 Ų30.20%017%0.174CC..EExtended strand (participates in β ladder)trans-100124.2158.9-71.30000108.3I14 Q15 R16 V122 Y129 G135 T137I14-T27 HydrophobicContact CG2-CG2 3.47Å; I14-T27 VanDerWaalsContact CG2-CG2 3.47Å; Q15-T27 CarbonylContact O-C 3.58Å; Q15-T27 WeakPolarHBondContact O-CA 3.45Å; R16-T27 HydrophobicContact CG-CG2 4.16Å; T27-V122 HydrophobicContact CG2-CG2 3.88Å; T27-Y129 WeakPolarHBondContact CB-OH 3.48Å; T27-Y129 PolarHBondContact OG1-OH 2.87Å; T27-G135 PolarHBondContact N-O 3.41Å; T27-T137 PolarHBondContact O-N 2.87Å
28V98Very high94.7Very high0 Ų025.7 Ų25.70%016%0.158CC..EExtended strand (participates in β ladder)trans-98.2122.5178.4-168.90000108.9I14 Q15 S18 D21 F30 T137I14-V28 CarbonylContact C-O 3.57Å; I14-V28 WeakPolarHBondContact CA-O 3.41Å; Q15-V28 HydrophobicContact CB-CB 4.47Å; Q15-V28 PolarHBondContact N-O 3.26Å; Q15-V28 PolarHBondContact O-N 3.4Å; S18-V28 WeakPolarHBondContact OG-CG2 3.46Å; D21-V28 HydrophobicContact CB-CG2 3.66Å; D21-V28 WeakPolarHBondContact OD2-CG2 3.39Å; V28-F30 HydrophobicContact CB-CD2 4.35Å; V28-F30 HydrophobicContact CB-CE2 3.81Å; V28-F30 HydrophobicContact CB-CZ 4.06Å; V28-F30 HydrophobicContact CG1-CD1 4.21Å; V28-F30 HydrophobicContact CG1-CD2 4.02Å; V28-F30 HydrophobicContact CG1-CE1 3.83Å; V28-F30 HydrophobicContact CG1-CE2 3.64Å; V28-F30 HydrophobicContact CG1-CG 4.32Å; V28-F30 HydrophobicContact CG1-CZ 3.53Å; V28-T137 CarbonylContact C-O 3.57Å; V28-T137 VanDerWaalsContact CA-O 3.3Å; V28-T137 WeakPolarHBondContact CA-O 3.42Å
29V97.6Very high94.8Very high0 Ų029.7 Ų29.70%017%0.172CC..EExtended strand (participates in β ladder)trans-101.5117.5173.1177.80000107.3I11 I14 L31 I118 V122 L136 T137 L138 S139I11-V29 HydrophobicContact CG2-CG1 3.99Å; I14-V29 HydrophobicContact CG1-CG2 4.47Å; I14-V29 HydrophobicContact CG2-CG2 4.39Å; V29-L31 HydrophobicContact CG1-CD1 4.28Å; V29-L31 WeakPolarHBondContact O-CD1 2.99Å; V29-I118 HydrophobicContact CB-CG2 4.42Å; V29-I118 HydrophobicContact CG1-CD1 4.43Å; V29-I118 HydrophobicContact CG1-CG2 4.01Å; V29-I118 HydrophobicContact CG2-CG2 3.57Å; V29-V122 HydrophobicContact CG2-CG2 4.01Å; V29-L136 HydrophobicContact CB-CD1 4.19Å; V29-L136 HydrophobicContact CG2-CD1 3.53Å; V29-T137 PolarHBondContact N-O 3.16Å; V29-L138 HydrophobicContact CB-CD2 4.06Å; V29-S139 PolarHBondContact O-N 3.17Å
30F97Very high95Very high16 Ų1626.1 Ų26.17%0.0715%0.148CC..EExtended strand (participates in β ladder)trans-97.2108.2-175.2-71-81.6000110.9I11 F12 N13 Q15 V28 S139I11-F30 CarbonylContact C-O 3.5Å; I11-F30 VanDerWaalsContact CA-O 3.32Å; I11-F30 WeakPolarHBondContact CA-O 3.35Å; I11-F30 WeakPolarHBondContact CB-O 3.34Å; F12-F30 HydrophobicContact CD1-CB 3.82Å; F12-F30 WeakPolarHBondContact CD1-O 3.49Å; F12-F30 HydrophobicContact CD2-CB 4.25Å; F12-F30 HydrophobicContact CE1-CB 3.46Å; F12-F30 VanDerWaalsContact CE1-CB 3.46Å; F12-F30 HydrophobicContact CE1-CD1 4.37Å; F12-F30 HydrophobicContact CE1-CG 4.31Å; F12-F30 HydrophobicContact CE2-CB 3.9Å; F12-F30 HydrophobicContact CE2-CD1 4.44Å; F12-F30 HydrophobicContact CE2-CG 4.23Å; F12-F30 HydrophobicContact CG-CB 4.21Å; F12-F30 HydrophobicContact CZ-CB 3.5Å; F12-F30 VanDerWaalsContact CZ-CB 3.5Å; F12-F30 AromaticContact CZ-CD1 3.81Å; F12-F30 HydrophobicContact CZ-CD1 3.81Å; F12-F30 AromaticContact CZ-CG 3.9Å; F12-F30 HydrophobicContact CZ-CG 3.9Å; F12-F30 PolarHBondContact N-O 2.64Å; N13-F30 HydrophobicContact CB-CB 4.06Å; N13-F30 HydrophobicContact CB-CD2 3.79Å; N13-F30 HydrophobicContact CB-CG 4.26Å; N13-F30 WeakPolarHBondContact O-CB 3.32Å; N13-F30 PolarHBondContact O-N 3.15Å; Q15-F30 HydrophobicContact CB-CD2 4.43Å; Q15-F30 HydrophobicContact CB-CE2 3.7Å; V28-F30 HydrophobicContact CB-CD2 4.35Å; V28-F30 HydrophobicContact CB-CE2 3.81Å; V28-F30 HydrophobicContact CB-CZ 4.06Å; V28-F30 HydrophobicContact CG1-CD1 4.21Å; V28-F30 HydrophobicContact CG1-CD2 4.02Å; V28-F30 HydrophobicContact CG1-CE1 3.83Å; V28-F30 HydrophobicContact CG1-CE2 3.64Å; V28-F30 HydrophobicContact CG1-CG 4.32Å; V28-F30 HydrophobicContact CG1-CZ 3.53Å; F30-S139 CarbonylContact C-O 3.58Å; F30-S139 VanDerWaalsContact CA-O 3.3Å; F30-S139 WeakPolarHBondContact CA-O 3.44Å
31L96.3Very high95.4Very high0 Ų019.7 Ų19.70%012%0.121CC..EExtended strand (participates in β ladder)trans-85.8153.1-178-70.586.8000111.7T9 I11 F12 V29 L138 S139 G141 P143 Q146T9-L31 HydrophobicContact CG2-CD2 4.19Å; I11-L31 HydrophobicContact CG2-CG 4.5Å; F12-L31 WeakPolarHBondContact CE1-O 3.44Å; V29-L31 HydrophobicContact CG1-CD1 4.28Å; V29-L31 WeakPolarHBondContact O-CD1 2.99Å; L31-L138 HydrophobicContact CD1-CB 4.1Å; L31-L138 HydrophobicContact CD1-CD2 4.08Å; L31-L138 HydrophobicContact CD1-CG 4.49Å; L31-S139 PolarHBondContact N-O 3.39Å; L31-G141 PolarHBondContact O-N 3.17Å; L31-P143 HydrophobicContact CD1-CB 4.41Å; L31-Q146 HydrophobicContact CD2-CB 4.17Å
32K95.7Very high95.4Very high0 Ų022.1 Ų22.10%013%0.132CC..  trans-91.2157.5170.4-72-167.656112.60112.2M10 F12 E45 S46 A48 T50 D52 C109 Q146M10-K32 HydrophobicContact CB-CB 4.22Å; M10-K32 HydrophobicContact CG-CB 3.8Å; M10-K32 HydrophobicContact CG-CD 3.61Å; M10-K32 HydrophobicContact CG-CG 4.02Å; M10-K32 PolarHBondContact O-N 2.99Å; M10-K32 HydrophobicContact SD-CD 4.44Å; F12-K32 HydrophobicContact CB-CD 3.98Å; F12-K32 HydrophobicContact CB-CG 3.87Å; F12-K32 HydrophobicContact CD1-CG 3.92Å; F12-K32 HydrophobicContact CG-CG 4.37Å; K32-E45 PolarHBondContact NZ-O 3.11Å; K32-S46 CarbonylContact C-O 3.59Å; K32-A48 WeakPolarHBondContact CB-O 3.11Å; K32-A48 WeakPolarHBondContact CE-O 3.47Å; K32-T50 WeakPolarHBondContact CE-O 3.43Å; K32-T50 PolarHBondContact NZ-O 2.94Å; K32-T50 VanDerWaalsContact NZ-O 3.1Å; K32-D52 IonicContact NZ-OD2 3.85Å; K32-D52 PolarHBondContact NZ-OD2 3.12Å; K32-C109 PolarHBondContact NZ-O 3.27Å; K32-C109 VanDerWaalsContact NZ-O 3.1Å; K32-Q146 PolarHBondContact O-NE2 3.43Å
33G95.3Very high95.5Very high0 Ų023 Ų230%013%0.132CC..  trans92.1119-174.800000113S46 R47 A48 G141 E142G33-S46 CarbonylContact C-O 3.49Å; G33-S46 VanDerWaalsContact CA-O 3.32Å; G33-S46 WeakPolarHBondContact CA-O 3.43Å; G33-S46 PolarHBondContact N-O 2.75Å; G33-R47 WeakPolarHBondContact CA-O 3.37Å; G33-A48 PolarHBondContact N-O 2.94Å; G33-A48 VanDerWaalsContact N-O 3.11Å; G33-G141 CarbonylContact O-C 3.5Å; G33-G141 WeakPolarHBondContact O-CA 3.21Å; G33-E142 PolarHBondContact O-N 3.33Å
34C96.4Very high95.7Very high28 Ų2820.5 Ų20.519%0.18912%0.117CC..  trans-134.8142.1167.2-168.30000109.9L36 R47C34-L36 VanDerWaalsContact C-N 3.28Å; C34-R47 PolarHBondContact N-O 3.06Å
35S95.5Very high95.7Very high38 Ų3819.6 Ų19.627%0.26610%0.104SC..SBendtrans-86.41177.7620000113.4H171S35-H171 WeakPolarHBondContact CB-O 3.49Å; S35-H171 WeakPolarHBondContact OG-CB 3.42Å; S35-H171 PolarHBondContact OG-ND1 2.63Å; S35-H171 PolarHBondContact OG-O 3.1Å
36L96.7Very high95.7Very high7 Ų717.6 Ų17.64%0.0379%0.094CC..  trans-113.4144.5179-62.7-177.8000111.7C34 C169 H171 K192 F199 T203C34-L36 VanDerWaalsContact C-N 3.28Å; L36-C169 HydrophobicContact CD1-CB 3.67Å; L36-C169 VanDerWaalsContact CD1-SG 3.57Å; L36-H171 HydrophobicContact CD1-CB 4.16Å; L36-H171 HydrophobicContact CD2-CB 3.77Å; L36-H171 VanDerWaalsContact CD2-CG 3.47Å; L36-H171 WeakPolarHBondContact CD2-ND1 3.28Å; L36-H171 HydrophobicContact CG-CB 3.86Å; L36-K192 HydrophobicContact CD1-CD 4.34Å; L36-F199 HydrophobicContact CD1-CZ 4.39Å; L36-F199 HydrophobicContact CD2-CE1 4.1Å; L36-F199 HydrophobicContact CD2-CZ 4.37Å; L36-T203 WeakPolarHBondContact CA-O 3.45Å
37G94.6Very high95.6Very high15 Ų1520.8 Ų20.816%0.15511%0.106CC..  trans-10131.9174.200000114.2R39 R47 T203G37-R39 PolarHBondContact O-N 2.64Å; G37-R39 VanDerWaalsContact O-N 3.14Å; G37-R47 PolarHBondContact O-NH2 2.81Å; G37-T203 PolarHBondContact N-O 3.14Å
38C96.1Very high95.3Very high10 Ų1022.3 Ų22.37%0.06812%0.118CC..  trans-44.8116.6-173.1-540000113.6W40 C41 R47 K192 W202 T203 Y270C38-W40 HydrophobicContact CB-CD2 4.3Å; C38-W40 HydrophobicContact CB-CZ2 4.23Å; C38-W40 PolarHBondContact O-N 3.47Å; C38-C41 HydrophobicContact CB-CB 4.4Å; C38-C41 WeakPolarHBondContact O-CB 3.46Å; C38-C41 PolarHBondContact O-N 3.15Å; C38-R47 VanDerWaalsContact C-NH2 3.29Å; C38-R47 PolarHBondContact O-NH2 3.26Å; C38-K192 WeakPolarHBondContact SG-CE 3.44Å; C38-W202 WeakPolarHBondContact CA-O 3.31Å; C38-T203 HydrophobicContact CB-CG2 4.49Å; C38-Y270 PolarHBondContact O-OH 3.47Å
39R95.2Very high95Very high89 Ų8929.2 Ų29.234%0.33614%0.144SC..THydrogen-bonded Turntrans-56.1-25.9-173.4-53.6-160.2-176.9-149.30.1114.3G37 Q201 W202 Y270 D278 A279G37-R39 PolarHBondContact O-N 2.64Å; G37-R39 VanDerWaalsContact O-N 3.14Å; R39-Q201 PolarHBondContact NE-O 3.15Å; R39-Q201 PolarHBondContact NH2-O 3.47Å; R39-W202 HydrophobicContact CB-CE3 4.03Å; R39-W202 HydrophobicContact CB-CZ3 4.39Å; R39-W202 HydrophobicContact CG-CE3 4.13Å; R39-W202 WeakPolarHBondContact CG-O 3.46Å; R39-W202 PolarHBondContact N-O 3.34Å; R39-Y270 PolarHBondContact O-OH 3.2Å; R39-Y270 VanDerWaalsContact O-OH 3.13Å; R39-D278 WeakPolarHBondContact CD-O 3.45Å; R39-A279 HydrophobicContact CB-CB 4.05Å; R39-A279 WeakPolarHBondContact O-CB 3.37Å
40W94.7Very high94.7Very high15 Ų1533.8 Ų33.86%0.05717%0.172CC..THydrogen-bonded Turntrans-100.413.1178.966.289.1000115C38 Q42 K192 W202 T203 I231 F234 Y262 A279C38-W40 HydrophobicContact CB-CD2 4.3Å; C38-W40 HydrophobicContact CB-CZ2 4.23Å; C38-W40 PolarHBondContact O-N 3.47Å; W40-Q42 PolarHBondContact O-N 3.4Å; W40-K192 HydrophobicContact CH2-CD 4.38Å; W40-K192 HydrophobicContact CZ2-CB 4.45Å; W40-K192 HydrophobicContact CZ2-CD 3.77Å; W40-K192 HydrophobicContact CZ2-CG 4.14Å; W40-W202 AromaticContact CE3-CE3 3.7Å; W40-W202 HydrophobicContact CE3-CE3 3.7Å; W40-W202 HydrophobicContact CE3-CZ3 4.19Å; W40-W202 HydrophobicContact CH2-CB 4.36Å; W40-W202 HydrophobicContact CZ3-CB 3.81Å; W40-W202 HydrophobicContact CZ3-CD2 4.18Å; W40-W202 AromaticContact CZ3-CE3 3.57Å; W40-W202 HydrophobicContact CZ3-CE3 3.57Å; W40-W202 HydrophobicContact CZ3-CG 4.34Å; W40-W202 HydrophobicContact CZ3-CZ3 4.41Å; W40-T203 HydrophobicContact CH2-CG2 3.76Å; W40-T203 HydrophobicContact CZ2-CG2 4.39Å; W40-T203 HydrophobicContact CZ3-CG2 4.5Å; W40-I231 HydrophobicContact CB-CD1 4.11Å; W40-I231 HydrophobicContact CD2-CD1 3.84Å; W40-I231 HydrophobicContact CD2-CG1 3.58Å; W40-I231 HydrophobicContact CD2-CG2 4.39Å; W40-I231 HydrophobicContact CE3-CB 4.37Å; W40-I231 HydrophobicContact CE3-CD1 4.49Å; W40-I231 HydrophobicContact CE3-CG1 3.82Å; W40-I231 HydrophobicContact CE3-CG2 4.03Å; W40-I231 HydrophobicContact CG-CD1 3.58Å; W40-I231 HydrophobicContact CG-CG1 3.9Å; W40-I231 HydrophobicContact CH2-CG1 4.4Å; W40-I231 HydrophobicContact CZ2-CG1 4.17Å; W40-I231 HydrophobicContact CZ3-CG1 4.17Å; W40-F234 AromaticContact CH2-CD1 3.48Å; W40-F234 HydrophobicContact CH2-CD1 3.48Å; W40-F234 VanDerWaalsContact CH2-CD1 3.48Å; W40-F234 AromaticContact CH2-CE1 3.2Å; W40-F234 HydrophobicContact CH2-CE1 3.2Å; W40-F234 HydrophobicContact CH2-CE2 4.45Å; W40-F234 HydrophobicContact CH2-CG 4.23Å; W40-F234 AromaticContact CH2-CZ 3.73Å; W40-F234 HydrophobicContact CH2-CZ 3.73Å; W40-F234 HydrophobicContact CZ2-CD1 4.28Å; W40-F234 AromaticContact CZ2-CE1 3.91Å; W40-F234 HydrophobicContact CZ2-CE1 3.91Å; W40-F234 AromaticContact CZ3-CD1 3.66Å; W40-F234 HydrophobicContact CZ3-CD1 3.66Å; W40-F234 AromaticContact CZ3-CE1 3.87Å; W40-F234 HydrophobicContact CZ3-CE1 3.87Å; W40-F234 HydrophobicContact CZ3-CG 4.05Å; W40-F234 HydrophobicContact CZ3-CZ 4.39Å; W40-Y262 HydrophobicContact CB-CD2 4.35Å; W40-Y262 HydrophobicContact CB-CE2 4.07Å; W40-A279 HydrophobicContact CB-CB 3.94Å
41C94.9Very high94.6Very high24 Ų2435.3 Ų35.316%0.16218%0.179CC..  trans-50.2127.4-174.1-171.70000111.9C38 N43 P44 Y270C38-C41 HydrophobicContact CB-CB 4.4Å; C38-C41 WeakPolarHBondContact O-CB 3.46Å; C38-C41 PolarHBondContact O-N 3.15Å; C41-N43 VanDerWaalsContact C-N 3.29Å; C41-N43 PolarHBondContact O-N 3.22Å; C41-N43 VanDerWaalsContact SG-C 3.54Å; C41-N43 PolarHBondContact SG-O 3.47Å; C41-P44 WeakPolarHBondContact O-CD 3.37Å; C41-Y270 WeakPolarHBondContact CB-OH 3.3Å; C41-Y270 PolarHBondContact N-OH 2.88Å; C41-Y270 VanDerWaalsContact N-OH 3.09Å; C41-Y270 WeakPolarHBondContact O-CE2 3.3Å; C41-Y270 PolarHBondContact O-OH 2.87Å
42Q92.5Very high94.4Very high76 Ų7637 Ų3736%0.35519%0.189SC..SBendtrans-81.5-11.4179.6-64.7-165.74.100114.1W40 H263 K269W40-Q42 PolarHBondContact O-N 3.4Å; Q42-H263 PolarHBondContact NE2-CE1 2.95Å; Q42-H263 PolarHBondContact NE2-ND1 2.69Å; Q42-H263 PolarHBondContact NE2-NE2 2.86Å; Q42-H263 PolarHBondContact OE1-CE1 2.55Å; Q42-H263 PolarHBondContact OE1-NE2 2.98Å; Q42-K269 WeakPolarHBondContact O-CD 3.46Å; Q42-K269 WeakPolarHBondContact O-CE 3.46Å; Q42-K269 PolarHBondContact O-NZ 3.14Å
43N93.8Very high94.4Very high34 Ų3437.1 Ų37.118%0.18219%0.189CC..  trans-130.663176.8-58.1-48.3000109.2F12 C41 E45 S46 K269F12-N43 HydrophobicContact CE2-CB 4.47Å; F12-N43 HydrophobicContact CZ-CB 3.91Å; C41-N43 VanDerWaalsContact C-N 3.29Å; C41-N43 PolarHBondContact O-N 3.22Å; C41-N43 VanDerWaalsContact SG-C 3.54Å; C41-N43 PolarHBondContact SG-O 3.47Å; N43-E45 VanDerWaalsContact CA-OE2 3.31Å; N43-E45 WeakPolarHBondContact CA-OE2 3.43Å; N43-E45 PolarHBondContact O-N 3.02Å; N43-E45 VanDerWaalsContact O-N 3.14Å; N43-S46 WeakPolarHBondContact O-CB 3.33Å; N43-S46 PolarHBondContact O-N 3.21Å; N43-S46 PolarHBondContact O-OG 3.16Å; N43-K269 PolarHBondContact OD1-NZ 2.88Å
44P95.2Very high94.4Very high5 Ų538.4 Ų38.43%0.03220%0.196CC..G310 helixtrans-56.3-28.3179.226.3-36.6000113.1C41 S46 R47 K269 Y270 L273 L275C41-P44 WeakPolarHBondContact O-CD 3.37Å; P44-S46 PolarHBondContact O-N 2.7Å; P44-R47 WeakPolarHBondContact O-CB 3.37Å; P44-R47 WeakPolarHBondContact O-CG 3.35Å; P44-R47 PolarHBondContact O-N 3.24Å; P44-R47 VanDerWaalsContact O-N 3.16Å; P44-K269 HydrophobicContact CG-CB 3.69Å; P44-Y270 HydrophobicContact CB-CD1 4.36Å; P44-Y270 HydrophobicContact CB-CD2 4.23Å; P44-Y270 HydrophobicContact CB-CE1 4.1Å; P44-Y270 HydrophobicContact CB-CE2 3.94Å; P44-Y270 HydrophobicContact CB-CG 4.43Å; P44-Y270 HydrophobicContact CG-CD2 3.73Å; P44-Y270 HydrophobicContact CG-CE2 3.74Å; P44-Y270 HydrophobicContact CG-CG 4.18Å; P44-L273 HydrophobicContact CB-CD1 3.8Å; P44-L273 HydrophobicContact CG-CD1 3.75Å; P44-L275 HydrophobicContact CB-CD1 4.48Å
45E94.4Very high94.4Very high12 Ų1238.5 Ų38.56%0.05619%0.193CC..G310 helixtrans-64.3-14.3173.169.5-82.6-162.600113.9F12 K32 N43 K269 L273F12-E45 HydrophobicContact CD2-CG 4.17Å; F12-E45 HydrophobicContact CE2-CG 4.33Å; K32-E45 PolarHBondContact NZ-O 3.11Å; N43-E45 VanDerWaalsContact CA-OE2 3.31Å; N43-E45 WeakPolarHBondContact CA-OE2 3.43Å; N43-E45 PolarHBondContact O-N 3.02Å; N43-E45 VanDerWaalsContact O-N 3.14Å; E45-K269 WeakPolarHBondContact OE1-CE 3.27Å; E45-K269 IonicContact OE1-NZ 3.86Å; E45-K269 PolarHBondContact OE1-NZ 3.1Å; E45-K269 WeakPolarHBondContact OE2-CD 3.47Å; E45-K269 IonicContact OE2-NZ 3.73Å; E45-L273 HydrophobicContact CB-CD1 4.04Å; E45-L273 HydrophobicContact CB-CD2 4.45Å
46S95Very high94.4Very high1 Ų137.5 Ų37.51%0.00718%0.184CC..G310 helixtrans-86.9-10.8175.982.30000112.8K32 G33 N43 P44 G140 G141K32-S46 CarbonylContact C-O 3.59Å; G33-S46 CarbonylContact C-O 3.49Å; G33-S46 VanDerWaalsContact CA-O 3.32Å; G33-S46 WeakPolarHBondContact CA-O 3.43Å; G33-S46 PolarHBondContact N-O 2.75Å; N43-S46 WeakPolarHBondContact O-CB 3.33Å; N43-S46 PolarHBondContact O-N 3.21Å; N43-S46 PolarHBondContact O-OG 3.16Å; P44-S46 PolarHBondContact O-N 2.7Å; S46-G140 PolarHBondContact OG-O 2.87Å; S46-G141 WeakPolarHBondContact OG-CA 3.25Å; S46-G141 PolarHBondContact OG-N 3.43Å
47R93.9Very high94.1Very high67 Ų6739.3 Ų39.325%0.25320%0.2SC..SBendtrans-67.8-46-173-70.2174.3172-168.2-2.3112.7G33 C34 G37 C38 P44 Y270G33-R47 WeakPolarHBondContact CA-O 3.37Å; C34-R47 PolarHBondContact N-O 3.06Å; G37-R47 PolarHBondContact O-NH2 2.81Å; C38-R47 VanDerWaalsContact C-NH2 3.29Å; C38-R47 PolarHBondContact O-NH2 3.26Å; P44-R47 WeakPolarHBondContact O-CB 3.37Å; P44-R47 WeakPolarHBondContact O-CG 3.35Å; P44-R47 PolarHBondContact O-N 3.24Å; P44-R47 VanDerWaalsContact O-N 3.16Å; R47-Y270 PolarHBondContact NH2-OH 3.47Å
48A92.5Very high94Very high31 Ų3146.9 Ų46.926%0.25622%0.224SC..SBendtrans-71.5145.6177.800000110.7K32 G33 T50K32-A48 WeakPolarHBondContact CB-O 3.11Å; K32-A48 WeakPolarHBondContact CE-O 3.47Å; G33-A48 PolarHBondContact N-O 2.94Å; G33-A48 VanDerWaalsContact N-O 3.11Å; A48-T50 VanDerWaalsContact C-N 3.29Å
49R91.5Very high93.9Very high146 Ų14650.5 Ų50.555%0.55124%0.242SC*.SBendtrans-77.8-19.1173.4-63-175.4-178-162.9-4.5112.4M145R49-M145 PolarHBondContact NH2-SD 2.99Å; R49-M145 VanDerWaalsContact NH2-SD 3.42Å
50T91.9Very high93.8Very high95 Ų9547.6 Ų47.658%0.58324%0.235SC*.SBendtrans-101.5163.8-178.352.40000110.9K32 A48K32-T50 WeakPolarHBondContact CE-O 3.43Å; K32-T50 PolarHBondContact NZ-O 2.94Å; K32-T50 VanDerWaalsContact NZ-O 3.1Å; A48-T50 VanDerWaalsContact C-N 3.29Å
51Q94Very high93.7Very high48 Ų4851.1 Ų51.122%0.22426%0.255CS..  trans-54145.6173.4-69.1176.9-57.300112M10 L94 V108 C109 G110M10-Q51 HydrophobicContact CE-CG 3.93Å; M10-Q51 HydrophobicContact SD-CG 3.78Å; Q51-L94 HydrophobicContact CB-CD1 3.72Å; Q51-V108 HydrophobicContact CB-CG1 4.06Å; Q51-V108 HydrophobicContact CG-CG1 4.28Å; Q51-C109 WeakPolarHBondContact CA-O 3.29Å; Q51-G110 WeakPolarHBondContact CG-O 3.34Å; Q51-G110 PolarHBondContact NE2-O 2.99Å
52D93Very high93.5Very high37 Ų3759.1 Ų59.120%0.19829%0.29CS..EExtended strand (participates in β ladder)trans-118.9154.9175.3-73.1-73.3000110.3K32 L54 V108 C109 L273K32-D52 IonicContact NZ-OD2 3.85Å; K32-D52 PolarHBondContact NZ-OD2 3.12Å; D52-L54 HydrophobicContact CB-CD1 4.41Å; D52-V108 CarbonylContact O-C 3.6Å; D52-V108 WeakPolarHBondContact O-CA 3.44Å; D52-C109 PolarHBondContact N-O 3.07Å; D52-C109 PolarHBondContact O-N 3.39Å; D52-L273 HydrophobicContact CB-CD2 3.93Å
53L95.3Very high93.3Very high2 Ų258.5 Ų58.51%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-105.5119.2175.4-165.366.8000110.2I75 I84 R86 L89 L94 L97 L106 V108L53-I75 HydrophobicContact CD2-CD1 4.49Å; L53-I84 HydrophobicContact CD2-CD1 4.41Å; L53-I84 HydrophobicContact CD2-CG2 4.01Å; L53-R86 VanDerWaalsContact O-CZ 3.29Å; L53-R86 PolarHBondContact O-NH1 3.42Å; L53-R86 PolarHBondContact O-NH2 3.41Å; L53-L89 HydrophobicContact CB-CD1 4.16Å; L53-L89 HydrophobicContact CD2-CD1 4.14Å; L53-L89 HydrophobicContact CD2-CD2 4.25Å; L53-L94 HydrophobicContact CB-CD2 4.07Å; L53-L94 HydrophobicContact CD1-CD2 4.26Å; L53-L97 HydrophobicContact CD1-CB 4.44Å; L53-L97 HydrophobicContact CD1-CD1 4.23Å; L53-L97 HydrophobicContact CD2-CD1 3.82Å; L53-L106 HydrophobicContact CD1-CD1 4.27Å; L53-L106 HydrophobicContact CD1-CD2 3.89Å; L53-L106 HydrophobicContact CD1-CG 3.78Å; L53-L106 HydrophobicContact CD2-CD1 3.95Å; L53-L106 HydrophobicContact CD2-CD2 4.26Å; L53-L106 HydrophobicContact CD2-CG 4.29Å; L53-L106 HydrophobicContact CG-CD1 3.99Å; L53-L106 HydrophobicContact CG-CD2 4.4Å; L53-L106 HydrophobicContact CG-CG 4.06Å; L53-V108 HydrophobicContact CD1-CG2 3.75Å
54L95.7Very high93.2Very high26 Ų2658.3 Ų58.314%0.13631%0.305CS..EExtended strand (participates in β ladder)trans-97.7138.7175.4-75.571.1000109.3D52 L106 T107 C109 L272 L273D52-L54 HydrophobicContact CB-CD1 4.41Å; L54-L106 CarbonylContact O-C 3.57Å; L54-L106 WeakPolarHBondContact O-CA 3.49Å; L54-T107 PolarHBondContact N-O 3.17Å; L54-T107 PolarHBondContact O-N 3.3Å; L54-C109 HydrophobicContact CD1-CB 3.21Å; L54-L272 WeakPolarHBondContact CA-O 3.48Å; L54-L272 HydrophobicContact CB-CB 4.14Å; L54-L272 HydrophobicContact CD2-CB 4.26Å; L54-L272 HydrophobicContact CD2-CD1 4.04Å; L54-L272 HydrophobicContact CG-CB 4.17Å; L54-L273 HydrophobicContact CD1-CD2 3.77Å; L54-L273 HydrophobicContact CG-CD2 4Å; L54-L273 HydrophobicContact CG-CG 4.42Å
55Y96.1Very high93.1Very high31 Ų3162.6 Ų62.612%0.12232%0.324CS..EExtended strand (participates in β ladder)trans-131.6117178.5176.8-127.2000111.9A57 C60 G81 L82 I84 A105 L106 L272Y55-A57 HydrophobicContact CE1-CB 3.91Å; Y55-C60 HydrophobicContact CE2-CB 4.04Å; Y55-G81 VanDerWaalsContact OH-CA 3.31Å; Y55-G81 WeakPolarHBondContact OH-CA 3.48Å; Y55-L82 HydrophobicContact CD2-CD1 4.07Å; Y55-L82 HydrophobicContact CE1-CB 4.15Å; Y55-L82 HydrophobicContact CE2-CB 4.23Å; Y55-L82 HydrophobicContact CE2-CD1 3.67Å; Y55-L82 HydrophobicContact CE2-CG 3.96Å; Y55-L82 PolarHBondContact OH-N 2.97Å; Y55-L82 VanDerWaalsContact OH-N 3.08Å; Y55-I84 HydrophobicContact CD1-CD1 4.09Å; Y55-I84 HydrophobicContact CD2-CD1 4.48Å; Y55-I84 HydrophobicContact CG-CD1 3.83Å; Y55-A105 CarbonylContact C-O 3.6Å; Y55-A105 VanDerWaalsContact CA-O 3.28Å; Y55-A105 WeakPolarHBondContact CA-O 3.42Å; Y55-A105 WeakPolarHBondContact CD2-O 3.44Å; Y55-L106 HydrophobicContact CD2-CD1 4.1Å; Y55-L106 HydrophobicContact CG-CD1 4.44Å; Y55-L272 PolarHBondContact N-O 3.07Å; Y55-L272 WeakPolarHBondContact O-CA 3.44Å; Y55-L272 VanDerWaalsContact O-CD2 3.28Å; Y55-L272 WeakPolarHBondContact O-CD2 3.33Å
56D94.6Very high93.2Very high16 Ų1666.4 Ų66.49%0.08635%0.345CS..  trans-105.4101.4170.3-164.7-26.1000110.1R58 L59 A105 L272D56-R58 PolarHBondContact O-N 3.04Å; D56-R58 VanDerWaalsContact O-N 3.14Å; D56-R58 VanDerWaalsContact OD1-CB 3.25Å; D56-R58 WeakPolarHBondContact OD1-CB 3.44Å; D56-R58 WeakPolarHBondContact OD1-CG 3.49Å; D56-R58 IonicContact OD1-CZ 3.78Å; D56-R58 PolarHBondContact OD1-N 3.42Å; D56-R58 IonicContact OD1-NE 2.82Å; D56-R58 PolarHBondContact OD1-NE 3.31Å; D56-R58 IonicContact OD1-NH2 3.5Å; D56-R58 IonicContact OD2-CZ 3.98Å; D56-R58 IonicContact OD2-NE 3.79Å; D56-R58 PolarHBondContact OD2-NE 2.81Å; D56-R58 IonicContact OD2-NH2 2.73Å; D56-R58 PolarHBondContact OD2-NH2 3.29Å; D56-L59 HydrophobicContact CB-CB 4.46Å; D56-L59 HydrophobicContact CB-CD1 4.14Å; D56-L59 HydrophobicContact CB-CG 4.2Å; D56-L59 PolarHBondContact O-N 3.44Å; D56-L59 VanDerWaalsContact O-N 3.16Å; D56-A105 PolarHBondContact N-O 2.99Å; D56-L272 HydrophobicContact CB-CD2 3.51Å
57A92.1Very high93.3Very high45 Ų4566.7 Ų66.737%0.37235%0.347SS..G310 helixtrans-58.6-28-179.800000113Y55 L59 C60Y55-A57 HydrophobicContact CE1-CB 3.91Å; A57-L59 VanDerWaalsContact C-N 3.26Å; A57-L59 PolarHBondContact O-N 3.08Å; A57-C60 WeakPolarHBondContact O-CB 3.39Å; A57-C60 PolarHBondContact O-N 3.06Å
58R92.3Very high93.3Very high174 Ų17464.4 Ų64.466%0.65734%0.342SS*.G310 helixtrans-69-25.7-177.8-54.5170-64.4179.32112.7D56D56-R58 PolarHBondContact O-N 3.04Å; D56-R58 VanDerWaalsContact O-N 3.14Å; D56-R58 VanDerWaalsContact OD1-CB 3.25Å; D56-R58 WeakPolarHBondContact OD1-CB 3.44Å; D56-R58 WeakPolarHBondContact OD1-CG 3.49Å; D56-R58 IonicContact OD1-CZ 3.78Å; D56-R58 PolarHBondContact OD1-N 3.42Å; D56-R58 IonicContact OD1-NE 2.82Å; D56-R58 PolarHBondContact OD1-NE 3.31Å; D56-R58 IonicContact OD1-NH2 3.5Å; D56-R58 IonicContact OD2-CZ 3.98Å; D56-R58 IonicContact OD2-NE 3.79Å; D56-R58 PolarHBondContact OD2-NE 2.81Å; D56-R58 IonicContact OD2-NH2 2.73Å; D56-R58 PolarHBondContact OD2-NH2 3.29Å
59L93.8Very high93.4Very high87 Ų8769.8 Ų69.846%0.45536%0.359SS..G310 helixtrans-93.7-6.7179.5-59.2-179.2000112.1D56 A57 L61 T103 A105D56-L59 HydrophobicContact CB-CB 4.46Å; D56-L59 HydrophobicContact CB-CD1 4.14Å; D56-L59 HydrophobicContact CB-CG 4.2Å; D56-L59 PolarHBondContact O-N 3.44Å; D56-L59 VanDerWaalsContact O-N 3.16Å; A57-L59 VanDerWaalsContact C-N 3.26Å; A57-L59 PolarHBondContact O-N 3.08Å; L59-L61 PolarHBondContact O-N 3.4Å; L59-T103 WeakPolarHBondContact O-CB 3.33Å; L59-T103 PolarHBondContact O-OG1 2.9Å; L59-A105 VanDerWaalsContact C-CB 3.46Å; L59-A105 HydrophobicContact CB-CB 3.68Å
60C93.7Very high93.6Very high28 Ų2864.7 Ų64.719%0.18935%0.348CS..PPolyproline II helixtrans-77.1119.9-173.6-165.70000110.7Y55 A57 R77 A105Y55-C60 HydrophobicContact CE2-CB 4.04Å; A57-C60 WeakPolarHBondContact O-CB 3.39Å; A57-C60 PolarHBondContact O-N 3.06Å; C60-R77 PolarHBondContact SG-NH1 3.11Å; C60-A105 HydrophobicContact CB-CB 4.03Å
61L92.6Very high93.8Very high89 Ų8960.2 Ų60.247%0.46632%0.321SS..PPolyproline II helixtrans-67136.5179-64.2176000111.6L59 C64 R77 P102 T103L59-L61 PolarHBondContact O-N 3.4Å; L61-C64 HydrophobicContact CB-CB 3.91Å; L61-C64 PolarHBondContact O-N 2.88Å; L61-R77 PolarHBondContact O-NH1 2.88Å; L61-R77 PolarHBondContact O-NH2 3.34Å; L61-P102 HydrophobicContact CD1-CG 4.47Å; L61-T103 HydrophobicContact CD1-CG2 3.67Å; L61-T103 HydrophobicContact CD2-CG2 3.86Å; L61-T103 HydrophobicContact CG-CG2 3.54Å
62E89.2Confident93.9Very high192 Ų19262 Ų6290%0.89734%0.337SS*.THydrogen-bonded Turntrans-61.8136.3171.6-163174-175.700110.4C64E62-C64 PolarHBondContact O-N 3.4Å
63G88.5Confident94Very high63 Ų6367.1 Ų67.165%0.64936%0.36SS*.THydrogen-bonded Turntrans72.3-2.6-177.300000117E65G63-E65 PolarHBondContact O-N 3.16Å
64C93.2Very high94Very high29 Ų2967.1 Ų67.120%0.19636%0.359CS..  trans-75.2123.6179.4176.80000112.8L61 E62 R77L61-C64 HydrophobicContact CB-CB 3.91Å; L61-C64 PolarHBondContact O-N 2.88Å; E62-C64 PolarHBondContact O-N 3.4Å; C64-R77 PolarHBondContact O-NH1 3.43Å
65E93.1Very high94Very high95 Ų9566 Ų6644%0.44435%0.354SS..  trans-113.36.7-177.5-62.6-177.7157.600114.2G63 C67 A68 K69G63-E65 PolarHBondContact O-N 3.16Å; E65-C67 PolarHBondContact O-N 3.29Å; E65-A68 PolarHBondContact O-N 2.89Å; E65-K69 HydrophobicContact CB-CD 4.27Å; E65-K69 HydrophobicContact CB-CG 4.47Å; E65-K69 WeakPolarHBondContact O-CG 3.42Å; E65-K69 PolarHBondContact O-N 3.31Å; E65-K69 WeakPolarHBondContact OE2-CE 3.31Å; E65-K69 IonicContact OE2-NZ 3.95Å; E65-K69 PolarHBondContact OE2-NZ 3.3Å
66L95.8Very high93.9Very high93 Ų9369.2 Ų69.249%0.48737%0.37SS..Hα-helixtrans-56.9-49.6-170.8-66.9173.1000113K69 A70 P102L66-K69 PolarHBondContact O-N 3.46Å; L66-A70 WeakPolarHBondContact O-CB 3.49Å; L66-A70 PolarHBondContact O-N 2.98Å; L66-P102 HydrophobicContact CD1-CG 4.16Å
67C95.9Very high93.8Very high7 Ų772.1 Ų72.15%0.04738%0.379CS..Hα-helixtrans-68.2-36.3179.556.60000113E65 K69 A70 A71 I75 L82 L97 L106E65-C67 PolarHBondContact O-N 3.29Å; C67-K69 VanDerWaalsContact C-N 3.31Å; C67-K69 PolarHBondContact O-N 3.27Å; C67-A70 PolarHBondContact O-N 2.97Å; C67-A71 PolarHBondContact O-N 3.03Å; C67-I75 HydrophobicContact CB-CD1 4Å; C67-L82 WeakPolarHBondContact SG-CD1 3.37Å; C67-L97 HydrophobicContact CB-CD2 3.9Å; C67-L106 HydrophobicContact CB-CD2 3.94Å
68A94.9Very high93.5Very high18 Ų1872.3 Ų72.315%0.14938%0.381CS..Hα-helixtrans-67.5-32.4175.500000111.7E65 P72 I75E65-A68 PolarHBondContact O-N 2.89Å; A68-P72 WeakPolarHBondContact O-CA 3.35Å; A68-P72 WeakPolarHBondContact O-CB 3.38Å; A68-I75 HydrophobicContact CB-CG2 4.17Å
69K95.3Very high93Very high145 Ų14572.5 Ų72.563%0.6339%0.394SS*.Hα-helixtrans-76.3-34.3172.9-72.7173.6-177.7161.70112.8E65 L66 C67E65-K69 HydrophobicContact CB-CD 4.27Å; E65-K69 HydrophobicContact CB-CG 4.47Å; E65-K69 WeakPolarHBondContact O-CG 3.42Å; E65-K69 PolarHBondContact O-N 3.31Å; E65-K69 WeakPolarHBondContact OE2-CE 3.31Å; E65-K69 IonicContact OE2-NZ 3.95Å; E65-K69 PolarHBondContact OE2-NZ 3.3Å; L66-K69 PolarHBondContact O-N 3.46Å; C67-K69 VanDerWaalsContact C-N 3.31Å; C67-K69 PolarHBondContact O-N 3.27Å
70A95.7Very high92.4Very high38 Ų3876 Ų7631%0.31441%0.413SS..Hα-helixtrans-70.8-35.9179.200000112.5L66 C67 L97 C100L66-A70 WeakPolarHBondContact O-CB 3.49Å; L66-A70 PolarHBondContact O-N 2.98Å; C67-A70 PolarHBondContact O-N 2.97Å; A70-L97 HydrophobicContact CB-CD2 4.23Å; A70-C100 HydrophobicContact CB-CB 4.5Å
71A96.1Very high92.2Very high1 Ų175 Ų751%0.00841%0.409CS..SBendtrans-138.667.618000000111.7C67 E73 V74 I75 H93 L97C67-A71 PolarHBondContact O-N 3.03Å; A71-E73 PolarHBondContact O-N 3.33Å; A71-V74 HydrophobicContact CB-CG2 3.58Å; A71-V74 PolarHBondContact O-N 2.89Å; A71-V74 VanDerWaalsContact O-N 3.16Å; A71-I75 PolarHBondContact O-N 2.99Å; A71-H93 HydrophobicContact CB-CB 4.45Å; A71-L97 HydrophobicContact CB-CD1 4.12Å; A71-L97 HydrophobicContact CB-CD2 3.92Å; A71-L97 HydrophobicContact CB-CG 4Å
72P95Very high92.2Very high86 Ų8671.9 Ų71.956%0.55839%0.392SS*.THydrogen-bonded Turntrans-66.9-19.4-171.726.8-35.2000114.2A68 V74A68-P72 WeakPolarHBondContact O-CA 3.35Å; A68-P72 WeakPolarHBondContact O-CB 3.38Å; P72-V74 VanDerWaalsContact C-N 3.28Å
73E94.8Very high92.4Very high145 Ų14566.8 Ų66.868%0.67837%0.371SS*.THydrogen-bonded Turntrans-76.1-17.9178.2-59.3-173.1178.200113A71 H93A71-E73 PolarHBondContact O-N 3.33Å; E73-H93 IonicContact OE2-NE2 3.77Å
74V96.2Very high92.7Very high1 Ų164.8 Ų64.81%0.00635%0.345CS..THydrogen-bonded Turntrans-132.1-15.6-169.3-56.80000114.3A71 P72 H85 K88 L89 H93A71-V74 HydrophobicContact CB-CG2 3.58Å; A71-V74 PolarHBondContact O-N 2.89Å; A71-V74 VanDerWaalsContact O-N 3.16Å; P72-V74 VanDerWaalsContact C-N 3.28Å; V74-H85 PolarHBondContact O-N 3.43Å; V74-K88 HydrophobicContact CG1-CB 3.65Å; V74-L89 HydrophobicContact CB-CD2 4.26Å; V74-L89 HydrophobicContact CG2-CD2 3.81Å; V74-H93 HydrophobicContact CG2-CB 4.21Å
75I96.2Very high92.8Very high3 Ų364.9 Ų64.92%0.01534%0.342CS..EExtended strand (participates in β ladder)trans-122.2120.5174.9-62.2-175.6000110.4L53 C67 A68 A71 L82 I84 L97 L106L53-I75 HydrophobicContact CD2-CD1 4.49Å; C67-I75 HydrophobicContact CB-CD1 4Å; A68-I75 HydrophobicContact CB-CG2 4.17Å; A71-I75 PolarHBondContact O-N 2.99Å; I75-L82 HydrophobicContact CG2-CB 4.42Å; I75-L82 HydrophobicContact CG2-CD1 4.37Å; I75-L82 HydrophobicContact CG2-CD2 4.03Å; I75-I84 HydrophobicContact CG1-CG1 4.45Å; I75-I84 HydrophobicContact CG1-CG2 4.48Å; I75-L97 HydrophobicContact CD1-CD1 3.75Å; I75-L97 HydrophobicContact CD1-CD2 3.56Å; I75-L97 HydrophobicContact CD1-CG 4.31Å; I75-L106 HydrophobicContact CD1-CD1 4.49Å; I75-L106 HydrophobicContact CD1-CD2 3.96Å
76E94Very high92.7Very high98 Ų9863.3 Ų63.346%0.45833%0.332SS..EExtended strand (participates in β ladder)trans-111.3137.2172.5-68.2174-149.400110.5L83 H85E76-L83 HydrophobicContact CB-CB 4.29Å; E76-L83 PolarHBondContact N-O 3.47Å; E76-L83 PolarHBondContact O-N 3.46Å; E76-H85 IonicContact OE1-CD2 3.72Å; E76-H85 IonicContact OE1-CE1 2.78Å; E76-H85 IonicContact OE1-NE2 3.23Å; E76-H85 PolarHBondContact OE1-NE2 3.28Å
77R90.8Very high92.6Very high77 Ų7765.6 Ų65.629%0.29134%0.341SS..EExtended strand (participates in β ladder)trans-81.1121173.5-171.968.9180-161.210.5109C60 L61 C64C60-R77 PolarHBondContact SG-NH1 3.11Å; L61-R77 PolarHBondContact O-NH1 2.88Å; L61-R77 PolarHBondContact O-NH2 3.34Å; C64-R77 PolarHBondContact O-NH1 3.43Å
78A87.4Confident92.5Very high50 Ų5070.4 Ų70.441%0.41336%0.361SS..EExtended strand (participates in β ladder)trans-108.5171175.300000111.1N80 G81A78-N80 VanDerWaalsContact C-N 3.25Å; A78-N80 PolarHBondContact O-N 3.44Å; A78-G81 PolarHBondContact N-O 2.99Å; A78-G81 PolarHBondContact O-N 2.82Å; A78-G81 VanDerWaalsContact O-O 3.12Å
79L81.1Confident92.4Very high178 Ų17871.6 Ų71.693%0.93236%0.364SS*.THydrogen-bonded Turntrans-56.6-36.6-179.6-109.1140.7000113.1
80N81.7Confident92.4Very high159 Ų15967 Ų6785%0.8535%0.348SS*.THydrogen-bonded Turntrans-116.728.3-174.7-64.7-18.4000113.4A78A78-N80 VanDerWaalsContact C-N 3.25Å; A78-N80 PolarHBondContact O-N 3.44Å
81G89.3Confident92.1Very high9 Ų969.1 Ų69.19%0.09336%0.359CS..EExtended strand (participates in β ladder)trans136.6-140.2177.700000113.4Y55 A78Y55-G81 VanDerWaalsContact OH-CA 3.31Å; Y55-G81 WeakPolarHBondContact OH-CA 3.48Å; A78-G81 PolarHBondContact N-O 2.99Å; A78-G81 PolarHBondContact O-N 2.82Å; A78-G81 VanDerWaalsContact O-O 3.12Å
82L92.5Very high92Very high22 Ų2275.3 Ų75.312%0.11539%0.388CS..EExtended strand (participates in β ladder)trans-112.6135.4-179.1-57.5177.3000110.6Y55 C67 I75 I84 L106Y55-L82 HydrophobicContact CD2-CD1 4.07Å; Y55-L82 HydrophobicContact CE1-CB 4.15Å; Y55-L82 HydrophobicContact CE2-CB 4.23Å; Y55-L82 HydrophobicContact CE2-CD1 3.67Å; Y55-L82 HydrophobicContact CE2-CG 3.96Å; Y55-L82 PolarHBondContact OH-N 2.97Å; Y55-L82 VanDerWaalsContact OH-N 3.08Å; C67-L82 WeakPolarHBondContact SG-CD1 3.37Å; I75-L82 HydrophobicContact CG2-CB 4.42Å; I75-L82 HydrophobicContact CG2-CD1 4.37Å; I75-L82 HydrophobicContact CG2-CD2 4.03Å; L82-I84 HydrophobicContact CB-CG1 4.13Å; L82-L106 HydrophobicContact CD1-CD1 4.19Å
83L93.2Very high92.1Very high86 Ų8672.5 Ų72.545%0.4537%0.367SS..EExtended strand (participates in β ladder)trans-93.4118160.6179.766.5000107.6E76E76-L83 HydrophobicContact CB-CB 4.29Å; E76-L83 PolarHBondContact N-O 3.47Å; E76-L83 PolarHBondContact O-N 3.46Å
84I94.8Very high92.1Very high20 Ų2066.2 Ų66.210%0.10334%0.338CS..EExtended strand (participates in β ladder)trans-111.7111.4-178.1-54.3174.1000108L53 Y55 I75 L82 R86 L89 L106L53-I84 HydrophobicContact CD2-CD1 4.41Å; L53-I84 HydrophobicContact CD2-CG2 4.01Å; Y55-I84 HydrophobicContact CD1-CD1 4.09Å; Y55-I84 HydrophobicContact CD2-CD1 4.48Å; Y55-I84 HydrophobicContact CG-CD1 3.83Å; I75-I84 HydrophobicContact CG1-CG1 4.45Å; I75-I84 HydrophobicContact CG1-CG2 4.48Å; L82-I84 HydrophobicContact CB-CG1 4.13Å; I84-R86 HydrophobicContact CB-CG 4.4Å; I84-R86 HydrophobicContact CG2-CG 3.83Å; I84-R86 PolarHBondContact O-N 3.46Å; I84-L89 HydrophobicContact CG2-CD1 4.4Å; I84-L106 HydrophobicContact CD1-CD1 3.69Å
85H94.2Very high92Very high31 Ų3170.8 Ų70.814%0.14437%0.366CS..  trans-77.173.4174.8-61.2-70.5000109.8V74 E76 E87 K88V74-H85 PolarHBondContact O-N 3.43Å; E76-H85 IonicContact OE1-CD2 3.72Å; E76-H85 IonicContact OE1-CE1 2.78Å; E76-H85 IonicContact OE1-NE2 3.23Å; E76-H85 PolarHBondContact OE1-NE2 3.28Å; H85-E87 WeakPolarHBondContact CA-OE2 3.44Å; H85-E87 IonicContact ND1-OE1 2.74Å; H85-E87 PolarHBondContact O-N 3.23Å; H85-E87 VanDerWaalsContact O-N 3.15Å; H85-K88 HydrophobicContact CB-CB 4.44Å; H85-K88 HydrophobicContact CB-CD 4.09Å; H85-K88 HydrophobicContact CB-CG 4.32Å; H85-K88 PolarHBondContact O-N 2.95Å
86R92.7Very high91.9Very high62 Ų6272.9 Ų72.923%0.23438%0.384CS..G310 helixtrans-57.2-30.6-172.3-70.4176.5173.3-86.30.2113L53 I84 K88 L89 L272 L273L53-R86 VanDerWaalsContact O-CZ 3.29Å; L53-R86 PolarHBondContact O-NH1 3.42Å; L53-R86 PolarHBondContact O-NH2 3.41Å; I84-R86 HydrophobicContact CB-CG 4.4Å; I84-R86 HydrophobicContact CG2-CG 3.83Å; I84-R86 PolarHBondContact O-N 3.46Å; R86-K88 PolarHBondContact O-N 3.02Å; R86-L89 HydrophobicContact CB-CD1 4.31Å; R86-L89 HydrophobicContact CG-CD1 4.29Å; R86-L89 WeakPolarHBondContact O-CB 3.39Å; R86-L89 PolarHBondContact O-N 3.07Å; R86-L272 PolarHBondContact NH2-O 2.99Å; R86-L273 PolarHBondContact NE-O 3.18Å; R86-L273 PolarHBondContact NH1-O 3.45Å
87E92.2Very high92Very high142 Ų14268.3 Ų68.366%0.66436%0.362SS*.G310 helixtrans-68.8-16178.175.3-68.6167.900114.3H85H85-E87 WeakPolarHBondContact CA-OE2 3.44Å; H85-E87 IonicContact ND1-OE1 2.74Å; H85-E87 PolarHBondContact O-N 3.23Å; H85-E87 VanDerWaalsContact O-N 3.15Å
88K94.2Very high92.1Very high108 Ų10867.5 Ų67.547%0.4737%0.366SS..G310 helixtrans-103.6-3.3177.8-59-178.7-165.7167.70113.2V74 H85 R86 T90V74-K88 HydrophobicContact CG1-CB 3.65Å; H85-K88 HydrophobicContact CB-CB 4.44Å; H85-K88 HydrophobicContact CB-CD 4.09Å; H85-K88 HydrophobicContact CB-CG 4.32Å; H85-K88 PolarHBondContact O-N 2.95Å; R86-K88 PolarHBondContact O-N 3.02Å; K88-T90 PolarHBondContact O-N 3.33Å
89L93.5Very high92.2Very high42 Ų4272.7 Ų72.722%0.2239%0.387CS..  trans-61.6136.6-179.7-76.3169.4000110.7L53 V74 I84 R86 H93 L94 L97L53-L89 HydrophobicContact CB-CD1 4.16Å; L53-L89 HydrophobicContact CD2-CD1 4.14Å; L53-L89 HydrophobicContact CD2-CD2 4.25Å; V74-L89 HydrophobicContact CB-CD2 4.26Å; V74-L89 HydrophobicContact CG2-CD2 3.81Å; I84-L89 HydrophobicContact CG2-CD1 4.4Å; R86-L89 HydrophobicContact CB-CD1 4.31Å; R86-L89 HydrophobicContact CG-CD1 4.29Å; R86-L89 WeakPolarHBondContact O-CB 3.39Å; R86-L89 PolarHBondContact O-N 3.07Å; L89-H93 HydrophobicContact CD2-CB 4.12Å; L89-L94 HydrophobicContact CD2-CD2 4.41Å; L89-L97 HydrophobicContact CD2-CD1 4.31Å
90T93.9Very high92.8Very high48 Ų4865.4 Ų65.429%0.29435%0.351SS..  trans-125.4164.7175.4750000109.5K88 E92 H93 L94K88-T90 PolarHBondContact O-N 3.33Å; T90-E92 WeakPolarHBondContact CB-OE2 3.27Å; T90-E92 PolarHBondContact O-N 3.39Å; T90-E92 PolarHBondContact OG1-N 3.45Å; T90-E92 PolarHBondContact OG1-OE2 2.95Å; T90-H93 PolarHBondContact N-ND1 3.42Å; T90-H93 WeakPolarHBondContact O-CB 3.42Å; T90-H93 PolarHBondContact O-N 2.74Å; T90-H93 VanDerWaalsContact O-N 3.13Å; T90-H93 PolarHBondContact OG1-N 3.25Å; T90-H93 PolarHBondContact OG1-ND1 3.41Å; T90-H93 VanDerWaalsContact OG1-ND1 3.13Å; T90-L94 PolarHBondContact O-N 2.94Å
91P91.3Very high93.5Very high84 Ų8458.8 Ų58.855%0.54532%0.317SS..Hα-helixtrans-55.5-34.2174.7-27.137.1000113.9L94 T95P91-L94 PolarHBondContact O-N 3.1Å; P91-T95 PolarHBondContact O-N 2.82Å; P91-T95 PolarHBondContact O-OG1 2.98Å
92E93.6Very high93.7Very high130 Ų13062.6 Ų62.661%0.60734%0.34SS*.Hα-helixtrans-66.1-42.5177.1-59.871.6-153.500111T90 T95 A96T90-E92 WeakPolarHBondContact CB-OE2 3.27Å; T90-E92 PolarHBondContact O-N 3.39Å; T90-E92 PolarHBondContact OG1-N 3.45Å; T90-E92 PolarHBondContact OG1-OE2 2.95Å; E92-T95 PolarHBondContact O-N 3.04Å; E92-A96 PolarHBondContact O-N 3.31Å
93H96Very high93.8Very high27 Ų2763.8 Ų63.813%0.12535%0.348CS..Hα-helixtrans-60.6-46.6173.5-64.3133.6000111.4A71 E73 V74 L89 T90 T95 A96 L97A71-H93 HydrophobicContact CB-CB 4.45Å; E73-H93 IonicContact OE2-NE2 3.77Å; V74-H93 HydrophobicContact CG2-CB 4.21Å; L89-H93 HydrophobicContact CD2-CB 4.12Å; T90-H93 PolarHBondContact N-ND1 3.42Å; T90-H93 WeakPolarHBondContact O-CB 3.42Å; T90-H93 PolarHBondContact O-N 2.74Å; T90-H93 VanDerWaalsContact O-N 3.13Å; T90-H93 PolarHBondContact OG1-N 3.25Å; T90-H93 PolarHBondContact OG1-ND1 3.41Å; T90-H93 VanDerWaalsContact OG1-ND1 3.13Å; H93-T95 VanDerWaalsContact C-N 3.29Å; H93-T95 PolarHBondContact O-N 2.89Å; H93-A96 PolarHBondContact O-N 3.02Å; H93-L97 WeakPolarHBondContact O-CB 3.27Å; H93-L97 WeakPolarHBondContact O-CG 3.48Å; H93-L97 PolarHBondContact O-N 3.21Å
94L94.8Very high93.9Very high14 Ų1466.5 Ų66.57%0.07336%0.358CS..Hα-helixtrans-62.6-38.3178.8-64.6172.9000111.6Q51 L53 L89 T90 P91 L97 T98 V108Q51-L94 HydrophobicContact CB-CD1 3.72Å; L53-L94 HydrophobicContact CB-CD2 4.07Å; L53-L94 HydrophobicContact CD1-CD2 4.26Å; L89-L94 HydrophobicContact CD2-CD2 4.41Å; T90-L94 PolarHBondContact O-N 2.94Å; P91-L94 PolarHBondContact O-N 3.1Å; L94-L97 PolarHBondContact O-N 3.16Å; L94-T98 PolarHBondContact O-N 2.9Å; L94-T98 PolarHBondContact O-OG1 3.16Å; L94-V108 HydrophobicContact CB-CG1 4.39Å
95T93.9Very high93.9Very high96 Ų9665.6 Ų65.659%0.58935%0.354SS*.Hα-helixtrans-62.3-47.3173.8-56.30000111.2P91 E92 H93 L97 T98P91-T95 PolarHBondContact O-N 2.82Å; P91-T95 PolarHBondContact O-OG1 2.98Å; E92-T95 PolarHBondContact O-N 3.04Å; H93-T95 VanDerWaalsContact C-N 3.29Å; H93-T95 PolarHBondContact O-N 2.89Å; T95-L97 PolarHBondContact O-N 3.1Å; T95-T98 WeakPolarHBondContact O-CB 3.27Å; T95-T98 PolarHBondContact O-N 2.81Å
96A94.6Very high93.9Very high47 Ų4764.5 Ų64.539%0.38835%0.349SS..Hα-helixtrans-64.4-29.317800000113.1E92 H93E92-A96 PolarHBondContact O-N 3.31Å; H93-A96 PolarHBondContact O-N 3.02Å
97L95.9Very high94Very high2 Ų264.4 Ų64.41%0.0136%0.355CS..Hα-helixtrans-85.2-13.6178.4-66.3169.9000113.4L53 C67 A70 A71 I75 L89 H93 L94 T95 D99 C100 L106 V108L53-L97 HydrophobicContact CD1-CB 4.44Å; L53-L97 HydrophobicContact CD1-CD1 4.23Å; L53-L97 HydrophobicContact CD2-CD1 3.82Å; C67-L97 HydrophobicContact CB-CD2 3.9Å; A70-L97 HydrophobicContact CB-CD2 4.23Å; A71-L97 HydrophobicContact CB-CD1 4.12Å; A71-L97 HydrophobicContact CB-CD2 3.92Å; A71-L97 HydrophobicContact CB-CG 4Å; I75-L97 HydrophobicContact CD1-CD1 3.75Å; I75-L97 HydrophobicContact CD1-CD2 3.56Å; I75-L97 HydrophobicContact CD1-CG 4.31Å; L89-L97 HydrophobicContact CD2-CD1 4.31Å; H93-L97 WeakPolarHBondContact O-CB 3.27Å; H93-L97 WeakPolarHBondContact O-CG 3.48Å; H93-L97 PolarHBondContact O-N 3.21Å; L94-L97 PolarHBondContact O-N 3.16Å; T95-L97 PolarHBondContact O-N 3.1Å; L97-D99 PolarHBondContact O-N 3.42Å; L97-C100 PolarHBondContact O-N 3.48Å; L97-C100 PolarHBondContact O-SG 3.25Å; L97-L106 HydrophobicContact CB-CD2 4.19Å; L97-L106 HydrophobicContact CD1-CD2 4.3Å; L97-L106 HydrophobicContact CD2-CD2 3.8Å; L97-L106 HydrophobicContact CG-CD2 4.31Å; L97-V108 HydrophobicContact CB-CG2 4.29Å
98T93Very high94.2Very high61 Ų6158.9 Ų58.937%0.37433%0.332SS..THydrogen-bonded Turntrans-63.2126.5175.5-58.90000108.7L94 T95 C100L94-T98 PolarHBondContact O-N 2.9Å; L94-T98 PolarHBondContact O-OG1 3.16Å; T95-T98 WeakPolarHBondContact O-CB 3.27Å; T95-T98 PolarHBondContact O-N 2.81Å; T98-C100 PolarHBondContact O-N 3.05Å
99D90.3Very high94.2Very high159 Ų15954.5 Ų54.585%0.8531%0.314SS*.THydrogen-bonded Turntrans60.26.7-178.1-54.5-40.3000117L97 C101L97-D99 PolarHBondContact O-N 3.42Å; D99-C101 VanDerWaalsContact C-N 3.31Å; D99-C101 PolarHBondContact O-N 3.41Å
100C93.6Very high94.3Very high25 Ų2553 Ų5317%0.16931%0.308CS..  trans-73.7-21.2-17978.90000113.7A70 L97 T98 P102A70-C100 HydrophobicContact CB-CB 4.5Å; L97-C100 PolarHBondContact O-N 3.48Å; L97-C100 PolarHBondContact O-SG 3.25Å; T98-C100 PolarHBondContact O-N 3.05Å; C100-P102 WeakPolarHBondContact O-CD 3.33Å
101C95.7Very high94.2Very high20 Ų2054 Ų5414%0.13531%0.31CS..  trans-100.1109.4-173.1-171.80000111.2D99 T103 Q104 A105 L106D99-C101 VanDerWaalsContact C-N 3.31Å; D99-C101 PolarHBondContact O-N 3.41Å; C101-T103 VanDerWaalsContact C-N 3.29Å; C101-T103 PolarHBondContact O-N 3.02Å; C101-Q104 PolarHBondContact O-N 3.31Å; C101-Q104 VanDerWaalsContact O-N 3.1Å; C101-A105 PolarHBondContact SG-N 3.48Å; C101-L106 HydrophobicContact CB-CB 3.85Å; C101-L106 WeakPolarHBondContact CB-O 3.31Å; C101-L106 PolarHBondContact SG-N 2.94Å; C101-L106 VanDerWaalsContact SG-N 3.39Å
102P94.3Very high94.3Very high88 Ų8854.1 Ų54.157%0.57131%0.309SS*.THydrogen-bonded Turntrans-68.2-26.3-171.726.1-35000113.6L61 L66 C100L61-P102 HydrophobicContact CD1-CG 4.47Å; L66-P102 HydrophobicContact CD1-CG 4.16Å; C100-P102 WeakPolarHBondContact O-CD 3.33Å
103T94.9Very high94.3Very high48 Ų4850.1 Ų50.129%0.29429%0.29SS..THydrogen-bonded Turntrans-95.30.5177.458.50000113.4L59 L61 C101 A105L59-T103 WeakPolarHBondContact O-CB 3.33Å; L59-T103 PolarHBondContact O-OG1 2.9Å; L61-T103 HydrophobicContact CD1-CG2 3.67Å; L61-T103 HydrophobicContact CD2-CG2 3.86Å; L61-T103 HydrophobicContact CG-CG2 3.54Å; C101-T103 VanDerWaalsContact C-N 3.29Å; C101-T103 PolarHBondContact O-N 3.02Å; T103-A105 PolarHBondContact O-N 3.23Å; T103-A105 VanDerWaalsContact O-N 3.08Å; T103-A105 WeakPolarHBondContact OG1-CB 3.48Å
104Q94.1Very high94.3Very high142 Ų14250.3 Ų50.366%0.66429%0.294SS*.SBendtrans57.418-172.6-57.4-178.1-28.200114.1C101 L106 T107C101-Q104 PolarHBondContact O-N 3.31Å; C101-Q104 VanDerWaalsContact O-N 3.1Å; Q104-L106 PolarHBondContact O-N 3.27Å; Q104-L106 VanDerWaalsContact O-N 3.14Å; Q104-T107 PolarHBondContact O-OG1 3.47Å
105A94.8Very high94.3Very high2 Ų251.3 Ų51.32%0.01730%0.3CS..SBendtrans-55.8-28.9169.300000112.1Y55 D56 L59 C60 C101 T103Y55-A105 CarbonylContact C-O 3.6Å; Y55-A105 VanDerWaalsContact CA-O 3.28Å; Y55-A105 WeakPolarHBondContact CA-O 3.42Å; Y55-A105 WeakPolarHBondContact CD2-O 3.44Å; D56-A105 PolarHBondContact N-O 2.99Å; L59-A105 VanDerWaalsContact C-CB 3.46Å; L59-A105 HydrophobicContact CB-CB 3.68Å; C60-A105 HydrophobicContact CB-CB 4.03Å; C101-A105 PolarHBondContact SG-N 3.48Å; T103-A105 PolarHBondContact O-N 3.23Å; T103-A105 VanDerWaalsContact O-N 3.08Å; T103-A105 WeakPolarHBondContact OG1-CB 3.48Å
106L95.4Very high94.3Very high8 Ų853.6 Ų53.64%0.04230%0.304CS..EExtended strand (participates in β ladder)trans-116.6120.4171.3-163.490.6000107.4L53 L54 Y55 C67 I75 L82 I84 L97 C101 Q104L53-L106 HydrophobicContact CD1-CD1 4.27Å; L53-L106 HydrophobicContact CD1-CD2 3.89Å; L53-L106 HydrophobicContact CD1-CG 3.78Å; L53-L106 HydrophobicContact CD2-CD1 3.95Å; L53-L106 HydrophobicContact CD2-CD2 4.26Å; L53-L106 HydrophobicContact CD2-CG 4.29Å; L53-L106 HydrophobicContact CG-CD1 3.99Å; L53-L106 HydrophobicContact CG-CD2 4.4Å; L53-L106 HydrophobicContact CG-CG 4.06Å; L54-L106 CarbonylContact O-C 3.57Å; L54-L106 WeakPolarHBondContact O-CA 3.49Å; Y55-L106 HydrophobicContact CD2-CD1 4.1Å; Y55-L106 HydrophobicContact CG-CD1 4.44Å; C67-L106 HydrophobicContact CB-CD2 3.94Å; I75-L106 HydrophobicContact CD1-CD1 4.49Å; I75-L106 HydrophobicContact CD1-CD2 3.96Å; L82-L106 HydrophobicContact CD1-CD1 4.19Å; I84-L106 HydrophobicContact CD1-CD1 3.69Å; L97-L106 HydrophobicContact CB-CD2 4.19Å; L97-L106 HydrophobicContact CD1-CD2 4.3Å; L97-L106 HydrophobicContact CD2-CD2 3.8Å; L97-L106 HydrophobicContact CG-CD2 4.31Å; C101-L106 HydrophobicContact CB-CB 3.85Å; C101-L106 WeakPolarHBondContact CB-O 3.31Å; C101-L106 PolarHBondContact SG-N 2.94Å; C101-L106 VanDerWaalsContact SG-N 3.39Å; Q104-L106 PolarHBondContact O-N 3.27Å; Q104-L106 VanDerWaalsContact O-N 3.14Å
107T95.4Very high94.4Very high59 Ų5956.1 Ų56.136%0.36231%0.308SS..EExtended strand (participates in β ladder)trans-131.4130.5-177-63.20000110.4L54 Q104L54-T107 PolarHBondContact N-O 3.17Å; L54-T107 PolarHBondContact O-N 3.3Å; Q104-T107 PolarHBondContact O-OG1 3.47Å
108V95.2Very high94.4Very high27 Ų2756 Ų5616%0.16431%0.308CS..EExtended strand (participates in β ladder)trans-84.1117.9171.6-179.40000108.4Q51 D52 L53 L94 L97Q51-V108 HydrophobicContact CB-CG1 4.06Å; Q51-V108 HydrophobicContact CG-CG1 4.28Å; D52-V108 CarbonylContact O-C 3.6Å; D52-V108 WeakPolarHBondContact O-CA 3.44Å; L53-V108 HydrophobicContact CD1-CG2 3.75Å; L94-V108 HydrophobicContact CB-CG1 4.39Å; L97-V108 HydrophobicContact CB-CG2 4.29Å
109C94.8Very high94.6Very high16 Ų1653.7 Ų53.711%0.10829%0.293CS..EExtended strand (participates in β ladder)trans-103.1110.8-178.5177.80000111.2K32 Q51 D52 L54K32-C109 PolarHBondContact NZ-O 3.27Å; K32-C109 VanDerWaalsContact NZ-O 3.1Å; Q51-C109 WeakPolarHBondContact CA-O 3.29Å; D52-C109 PolarHBondContact N-O 3.07Å; D52-C109 PolarHBondContact O-N 3.39Å; L54-C109 HydrophobicContact CD1-CB 3.21Å
110G94.3Very high94.9Very high9 Ų949.8 Ų49.89%0.09327%0.274CS..  trans132.9125.6-176.600000109.3I11 Q51I11-G110 CarbonylContact O-C 3.54Å; I11-G110 VanDerWaalsContact O-CA 3.27Å; I11-G110 WeakPolarHBondContact O-CA 3.45Å; Q51-G110 WeakPolarHBondContact CG-O 3.34Å; Q51-G110 PolarHBondContact NE2-O 2.99Å
111E92.5Very high95.1Very high71 Ų7149.8 Ų49.833%0.33227%0.274SS..EExtended strand (participates in β ladder)trans-132.114417559.8175.6175.800109.6M10 I11 K113M10-E111 WeakPolarHBondContact CA-O 3.27Å; I11-E111 HydrophobicContact CD1-CG 4.32Å; I11-E111 HydrophobicContact CG1-CG 3.65Å; I11-E111 PolarHBondContact N-O 3Å; I11-E111 PolarHBondContact O-N 3.44Å; E111-K113 HydrophobicContact CG-CD 4.4Å; E111-K113 HydrophobicContact CG-CG 4.34Å; E111-K113 VanDerWaalsContact OE1-CE 3.29Å; E111-K113 WeakPolarHBondContact OE1-CE 3.4Å; E111-K113 IonicContact OE1-NZ 3.66Å; E111-K113 PolarHBondContact OE1-NZ 3.33Å; E111-K113 WeakPolarHBondContact OE2-CE 3.46Å; E111-K113 IonicContact OE2-NZ 2.75Å; E111-K113 PolarHBondContact OE2-NZ 3.19Å
112V92.9Very high95.2Very high85 Ų8548.9 Ų48.952%0.51527%0.268SS..EExtended strand (participates in β ladder)trans-90.3116.1176.6174.20000108.2A8 T9 M10A8-V112 HydrophobicContact CB-CG1 3.21Å; T9-V112 CarbonylContact O-C 3.44Å; T9-V112 VanDerWaalsContact O-CA 3.28Å; T9-V112 WeakPolarHBondContact O-CA 3.43Å; M10-V112 HydrophobicContact CE-CG2 3.59Å; M10-V112 HydrophobicContact SD-CG2 4.09Å
113K94.3Very high95.3Very high47 Ų4747.7 Ų47.720%0.20426%0.256CS..EExtended strand (participates in β ladder)trans-129.1145.2177.3-74.3-170168.3155.50112.2T9 I11 E111 E117 I118T9-K113 PolarHBondContact N-O 3.35Å; T9-K113 PolarHBondContact O-N 3Å; I11-K113 HydrophobicContact CD1-CB 4.47Å; I11-K113 HydrophobicContact CD1-CD 3.87Å; I11-K113 HydrophobicContact CD1-CG 4.46Å; E111-K113 HydrophobicContact CG-CD 4.4Å; E111-K113 HydrophobicContact CG-CG 4.34Å; E111-K113 VanDerWaalsContact OE1-CE 3.29Å; E111-K113 WeakPolarHBondContact OE1-CE 3.4Å; E111-K113 IonicContact OE1-NZ 3.66Å; E111-K113 PolarHBondContact OE1-NZ 3.33Å; E111-K113 WeakPolarHBondContact OE2-CE 3.46Å; E111-K113 IonicContact OE2-NZ 2.75Å; E111-K113 PolarHBondContact OE2-NZ 3.19Å; K113-E117 HydrophobicContact CB-CB 4.49Å; K113-I118 HydrophobicContact CB-CD1 4.13Å; K113-I118 HydrophobicContact CB-CG1 3.87Å; K113-I118 HydrophobicContact CD-CG1 4.48Å
114S95.2Very high95.4Very high30 Ų3052.8 Ų52.821%0.2127%0.27CS..EExtended strand (participates in β ladder)trans-78.3160.7171.165.50000111.9E116 E117 I118S114-E116 PolarHBondContact O-N 3.26Å; S114-E117 WeakPolarHBondContact CB-OE2 3.41Å; S114-E117 PolarHBondContact N-OE2 2.73Å; S114-E117 PolarHBondContact O-N 2.98Å; S114-E117 WeakPolarHBondContact OG-CG 3.31Å; S114-E117 PolarHBondContact OG-N 3.44Å; S114-E117 PolarHBondContact OG-OE2 3.31Å; S114-I118 WeakPolarHBondContact O-CG1 3.29Å; S114-I118 PolarHBondContact O-N 3.16Å; S114-I118 VanDerWaalsContact O-N 3.15Å
115V95.1Very high95.4Very high36 Ų3646.1 Ų46.122%0.21824%0.239CC..Hα-helixtrans-51-43.3171.6179.40000110.9E117 I118 M119 M149 A152 L153 A156V115-E117 PolarHBondContact O-N 3.46Å; V115-I118 PolarHBondContact O-N 3.2Å; V115-M119 HydrophobicContact CG1-CG 4.02Å; V115-M119 VanDerWaalsContact O-CB 3.3Å; V115-M119 WeakPolarHBondContact O-CB 3.23Å; V115-M119 VanDerWaalsContact O-CG 3.24Å; V115-M119 WeakPolarHBondContact O-CG 3.35Å; V115-M119 PolarHBondContact O-N 2.89Å; V115-M149 HydrophobicContact CB-SD 4.48Å; V115-M149 HydrophobicContact CG2-CE 3.71Å; V115-M149 HydrophobicContact CG2-SD 3.44Å; V115-M149 WeakPolarHBondContact CG2-SD 3.2Å; V115-A152 HydrophobicContact CG2-CB 3.71Å; V115-L153 HydrophobicContact CG1-CD2 4.1Å; V115-A156 HydrophobicContact CG1-CB 4.25Å
116E95.1Very high95.5Very high143 Ų14349.1 Ų49.167%0.66825%0.252SS*.Hα-helixtrans-64.1-42.5-176.6-174.5173.8-177.200112.2S114 T120S114-E116 PolarHBondContact O-N 3.26Å; E116-T120 VanDerWaalsContact O-CB 3.29Å; E116-T120 WeakPolarHBondContact O-CB 3.41Å; E116-T120 PolarHBondContact O-N 3.49Å; E116-T120 PolarHBondContact O-OG1 3.16Å
117E96.2Very high95.5Very high100 Ų10052.4 Ų52.447%0.46727%0.274SS..Hα-helixtrans-67.1-42.1178.3-70.5165.7110.400112K113 S114 V115 T121K113-E117 HydrophobicContact CB-CB 4.49Å; S114-E117 WeakPolarHBondContact CB-OE2 3.41Å; S114-E117 PolarHBondContact N-OE2 2.73Å; S114-E117 PolarHBondContact O-N 2.98Å; S114-E117 WeakPolarHBondContact OG-CG 3.31Å; S114-E117 PolarHBondContact OG-N 3.44Å; S114-E117 PolarHBondContact OG-OE2 3.31Å; V115-E117 PolarHBondContact O-N 3.46Å; E117-T121 PolarHBondContact O-N 3.26Å; E117-T121 PolarHBondContact O-OG1 2.91Å
118I96.4Very high95.5Very high0 Ų053.5 Ų53.50%027%0.273CS..Hα-helixtrans-64.4-51.3176.9-64.5170.8000109.4I11 I14 V29 K113 S114 V115 T120 T121 V122 L153I11-I118 HydrophobicContact CD1-CD1 4.41Å; I11-I118 HydrophobicContact CD1-CG1 4.32Å; I11-I118 HydrophobicContact CG2-CD1 3.96Å; I14-I118 HydrophobicContact CD1-CG1 4.44Å; I14-I118 HydrophobicContact CD1-CG2 4.45Å; V29-I118 HydrophobicContact CB-CG2 4.42Å; V29-I118 HydrophobicContact CG1-CD1 4.43Å; V29-I118 HydrophobicContact CG1-CG2 4.01Å; V29-I118 HydrophobicContact CG2-CG2 3.57Å; K113-I118 HydrophobicContact CB-CD1 4.13Å; K113-I118 HydrophobicContact CB-CG1 3.87Å; K113-I118 HydrophobicContact CD-CG1 4.48Å; S114-I118 WeakPolarHBondContact O-CG1 3.29Å; S114-I118 PolarHBondContact O-N 3.16Å; S114-I118 VanDerWaalsContact O-N 3.15Å; V115-I118 PolarHBondContact O-N 3.2Å; I118-T120 VanDerWaalsContact C-N 3.29Å; I118-T120 PolarHBondContact O-N 2.91Å; I118-T121 WeakPolarHBondContact O-CA 3.35Å; I118-T121 WeakPolarHBondContact O-CB 3.43Å; I118-T121 PolarHBondContact O-N 3.31Å; I118-V122 HydrophobicContact CG2-CG2 4.17Å; I118-V122 WeakPolarHBondContact O-CG2 3.13Å; I118-V122 PolarHBondContact O-N 3.43Å; I118-L153 HydrophobicContact CB-CD2 3.84Å; I118-L153 HydrophobicContact CD1-CD1 4.17Å; I118-L153 HydrophobicContact CD1-CD2 4.21Å; I118-L153 HydrophobicContact CG2-CD1 4.45Å; I118-L153 HydrophobicContact CG2-CD2 3.56Å
119M96.8Very high95.5Very high13 Ų1352.3 Ų52.36%0.06427%0.266CS..Hα-helixtrans-63.6-34.8-179.3-70.7-53.7-60.900112.3V115 T121 V122 L123 L153 A156 S157V115-M119 HydrophobicContact CG1-CG 4.02Å; V115-M119 VanDerWaalsContact O-CB 3.3Å; V115-M119 WeakPolarHBondContact O-CB 3.23Å; V115-M119 VanDerWaalsContact O-CG 3.24Å; V115-M119 WeakPolarHBondContact O-CG 3.35Å; V115-M119 PolarHBondContact O-N 2.89Å; M119-T121 PolarHBondContact O-N 2.89Å; M119-V122 HydrophobicContact CE-CG1 4.45Å; M119-V122 PolarHBondContact O-N 3.03Å; M119-V122 HydrophobicContact SD-CB 4.5Å; M119-L123 HydrophobicContact CE-CD1 4.4Å; M119-L123 HydrophobicContact CE-CD2 4.38Å; M119-L123 HydrophobicContact CE-CG 4.21Å; M119-L123 VanDerWaalsContact O-CB 3.29Å; M119-L123 WeakPolarHBondContact O-CB 3.06Å; M119-L123 WeakPolarHBondContact O-CG 3.17Å; M119-L123 PolarHBondContact O-N 3.41Å; M119-L153 HydrophobicContact CG-CD2 4.12Å; M119-L153 HydrophobicContact SD-CD2 4.06Å; M119-A156 HydrophobicContact CE-CB 4.27Å; M119-A156 HydrophobicContact CG-CB 3.96Å; M119-A156 HydrophobicContact SD-CB 4.25Å; M119-S157 WeakPolarHBondContact CE-OG 3.49Å
120T97.1Very high95.4Very high76 Ų7656.1 Ų56.147%0.46629%0.285SS..Hα-helixtrans-57.8-38171.8-64.10000111.4E116 I118 R124E116-T120 VanDerWaalsContact O-CB 3.29Å; E116-T120 WeakPolarHBondContact O-CB 3.41Å; E116-T120 PolarHBondContact O-N 3.49Å; E116-T120 PolarHBondContact O-OG1 3.16Å; I118-T120 VanDerWaalsContact C-N 3.29Å; I118-T120 PolarHBondContact O-N 2.91Å; T120-R124 WeakPolarHBondContact O-CG 3.42Å
121T96.6Very high95.3Very high26 Ų2666.5 Ų66.516%0.1632%0.322CS..Hα-helixtrans-74.7-46.2176.8-56.20000111.5I14 E117 I118 M119 L123 R124I14-T121 HydrophobicContact CD1-CG2 4.4Å; I14-T121 HydrophobicContact CG2-CG2 3.96Å; E117-T121 PolarHBondContact O-N 3.26Å; E117-T121 PolarHBondContact O-OG1 2.91Å; I118-T121 WeakPolarHBondContact O-CA 3.35Å; I118-T121 WeakPolarHBondContact O-CB 3.43Å; I118-T121 PolarHBondContact O-N 3.31Å; M119-T121 PolarHBondContact O-N 2.89Å; T121-L123 VanDerWaalsContact C-N 3.33Å; T121-L123 PolarHBondContact O-N 3.39Å; T121-R124 WeakPolarHBondContact O-CB 3.39Å; T121-R124 PolarHBondContact O-N 3.48Å
122V97.4Very high95.3Very high0 Ų065.2 Ų65.20%032%0.32CS..Hα-helixtrans-58.1-44.8179.9172.10000111.2T27 V29 I118 M119 R124 D125 Y129 L136 I162T27-V122 HydrophobicContact CG2-CG2 3.88Å; V29-V122 HydrophobicContact CG2-CG2 4.01Å; I118-V122 HydrophobicContact CG2-CG2 4.17Å; I118-V122 WeakPolarHBondContact O-CG2 3.13Å; I118-V122 PolarHBondContact O-N 3.43Å; M119-V122 HydrophobicContact CE-CG1 4.45Å; M119-V122 PolarHBondContact O-N 3.03Å; M119-V122 HydrophobicContact SD-CB 4.5Å; V122-R124 PolarHBondContact O-N 3.17Å; V122-D125 PolarHBondContact O-N 3.49Å; V122-Y129 HydrophobicContact CG1-CE2 4.26Å; V122-Y129 WeakPolarHBondContact O-CE2 3.34Å; V122-Y129 PolarHBondContact O-OH 3.26Å; V122-L136 HydrophobicContact CG1-CB 4.29Å; V122-L136 HydrophobicContact CG1-CD1 4.36Å; V122-L136 HydrophobicContact CG2-CD1 3.84Å; V122-I162 HydrophobicContact CG1-CD1 3.81Å
123L97.2Very high95.2Very high64 Ų6463.4 Ų63.434%0.33532%0.319SS..G310 helixtrans-73-10.6-175.7-67.6172.1000113.8M119 T121 D125 K126 A160 I162M119-L123 HydrophobicContact CE-CD1 4.4Å; M119-L123 HydrophobicContact CE-CD2 4.38Å; M119-L123 HydrophobicContact CE-CG 4.21Å; M119-L123 VanDerWaalsContact O-CB 3.29Å; M119-L123 WeakPolarHBondContact O-CB 3.06Å; M119-L123 WeakPolarHBondContact O-CG 3.17Å; M119-L123 PolarHBondContact O-N 3.41Å; T121-L123 VanDerWaalsContact C-N 3.33Å; T121-L123 PolarHBondContact O-N 3.39Å; L123-D125 PolarHBondContact O-N 3.28Å; L123-K126 WeakPolarHBondContact O-CB 3.25Å; L123-K126 PolarHBondContact O-N 2.87Å; L123-K126 VanDerWaalsContact O-N 3.14Å; L123-A160 HydrophobicContact CD2-CB 3.78Å; L123-I162 HydrophobicContact CD2-CD1 4.45Å
124R96.6Very high95.3Very high154 Ų15461.3 Ų61.358%0.58131%0.311SS*.G310 helixtrans-59.5-29.5172.9-70.9175.3-175.7-177.80.6112.5T120 T121 V122T120-R124 WeakPolarHBondContact O-CG 3.42Å; T121-R124 WeakPolarHBondContact O-CB 3.39Å; T121-R124 PolarHBondContact O-N 3.48Å; V122-R124 PolarHBondContact O-N 3.17Å
125D95.2Very high95.4Very high2 Ų259.9 Ų59.91%0.01130%0.301CS..G310 helixtrans-100.712.9-179.9-59.6-47.1000113.4R16 Y17 V122 L123 P127 F128 Y129R16-D125 IonicContact CZ-OD1 4Å; R16-D125 IonicContact CZ-OD2 3.69Å; R16-D125 IonicContact NE-OD1 2.7Å; R16-D125 IonicContact NE-OD2 2.86Å; R16-D125 PolarHBondContact NE-OD2 3.07Å; R16-D125 VanDerWaalsContact NH2-CG 3.26Å; R16-D125 IonicContact NH2-OD1 2.93Å; R16-D125 PolarHBondContact NH2-OD1 3.31Å; R16-D125 IonicContact NH2-OD2 3.37Å; R16-D125 PolarHBondContact NH2-OD2 2.91Å; R16-D125 VanDerWaalsContact NH2-OD2 3.17Å; Y17-D125 WeakPolarHBondContact CE2-OD1 3.35Å; Y17-D125 VanDerWaalsContact CZ-OD1 3.23Å; Y17-D125 PolarHBondContact OH-OD1 3.34Å; V122-D125 PolarHBondContact O-N 3.49Å; L123-D125 PolarHBondContact O-N 3.28Å; D125-P127 VanDerWaalsContact C-N 3.31Å; D125-F128 HydrophobicContact CB-CD2 4.07Å; D125-F128 WeakPolarHBondContact O-CA 3.41Å; D125-F128 WeakPolarHBondContact O-CB 3.46Å; D125-F128 PolarHBondContact O-N 3.11Å; D125-Y129 HydrophobicContact CB-CD1 4.49Å; D125-Y129 HydrophobicContact CB-CE1 3.7Å; D125-Y129 HydrophobicContact CB-CE2 4.25Å; D125-Y129 WeakPolarHBondContact CB-OH 3.32Å; D125-Y129 WeakPolarHBondContact O-CD1 3.39Å; D125-Y129 PolarHBondContact O-N 2.97Å
126K95.5Very high95.5Very high65 Ų6558.1 Ų58.128%0.28329%0.29SS..Hα-helixtrans-49.2-42.9177.6-168.6-174.8-173.4-49.60114.1L123 F128 Y129 D130 A160 I162L123-K126 WeakPolarHBondContact O-CB 3.25Å; L123-K126 PolarHBondContact O-N 2.87Å; L123-K126 VanDerWaalsContact O-N 3.14Å; K126-F128 PolarHBondContact O-N 3.36Å; K126-F128 VanDerWaalsContact O-N 3.15Å; K126-Y129 VanDerWaalsContact CA-CD2 3.49Å; K126-Y129 HydrophobicContact CB-CD2 4.37Å; K126-Y129 WeakPolarHBondContact O-CB 3.14Å; K126-Y129 PolarHBondContact O-N 3.29Å; K126-D130 IonicContact NZ-OD1 2.6Å; K126-D130 PolarHBondContact NZ-OD1 3.04Å; K126-D130 IonicContact NZ-OD2 2.77Å; K126-D130 PolarHBondContact NZ-OD2 3.33Å; K126-D130 PolarHBondContact O-N 2.75Å; K126-A160 WeakPolarHBondContact CE-O 3.35Å; K126-I162 HydrophobicContact CG-CG2 4.21Å
127P95.4Very high95.7Very high78 Ų7851.3 Ų51.351%0.50626%0.259SS..Hα-helixtrans-58.5-28.4177-26.136.2000114.4D125D125-P127 VanDerWaalsContact C-N 3.31Å
128F95.5Very high95.8Very high81 Ų8146.6 Ų46.636%0.35524%0.236SC..Hα-helixtrans-79.7-36.8175.7-60.5-82.4000111.5Y17 I25 D125 K126 R131 S132Y17-F128 HydrophobicContact CE1-CD1 4.15Å; Y17-F128 HydrophobicContact CE1-CD2 4.08Å; Y17-F128 HydrophobicContact CE1-CE1 4.17Å; Y17-F128 HydrophobicContact CE1-CE2 4.14Å; Y17-F128 HydrophobicContact CE1-CG 4.1Å; Y17-F128 HydrophobicContact CE1-CZ 4.16Å; Y17-F128 AromaticContact CZ-CE2 3.86Å; Y17-F128 VanDerWaalsContact OH-CD2 3.3Å; Y17-F128 WeakPolarHBondContact OH-CD2 3.34Å; Y17-F128 WeakPolarHBondContact OH-CE2 3.39Å; Y17-F128 VanDerWaalsContact OH-CZ 3.3Å; Y17-F128 WeakPolarHBondContact OH-CZ 3.15Å; I25-F128 HydrophobicContact CB-CB 4.46Å; I25-F128 HydrophobicContact CD1-CB 4.02Å; I25-F128 HydrophobicContact CD1-CD1 4.31Å; I25-F128 HydrophobicContact CG2-CB 4.31Å; D125-F128 HydrophobicContact CB-CD2 4.07Å; D125-F128 WeakPolarHBondContact O-CA 3.41Å; D125-F128 WeakPolarHBondContact O-CB 3.46Å; D125-F128 PolarHBondContact O-N 3.11Å; K126-F128 PolarHBondContact O-N 3.36Å; K126-F128 VanDerWaalsContact O-N 3.15Å; F128-R131 PolarHBondContact O-N 3.34Å; F128-S132 WeakPolarHBondContact O-CB 3.25Å; F128-S132 PolarHBondContact O-N 3.4Å; F128-S132 PolarHBondContact O-OG 2.84Å
129Y96.3Very high95.8Very high3 Ų346.8 Ų46.81%0.01224%0.238CC..Hα-helixtrans-63-46.1175.3-50.9-26.1000111.2I25 T27 V122 D125 K126 R131 S132 G133 G134 I162I25-Y129 HydrophobicContact CG2-CE1 4.43Å; I25-Y129 WeakPolarHBondContact O-CD1 3.31Å; I25-Y129 WeakPolarHBondContact O-CE1 3.49Å; T27-Y129 WeakPolarHBondContact CB-OH 3.48Å; T27-Y129 PolarHBondContact OG1-OH 2.87Å; V122-Y129 HydrophobicContact CG1-CE2 4.26Å; V122-Y129 WeakPolarHBondContact O-CE2 3.34Å; V122-Y129 PolarHBondContact O-OH 3.26Å; D125-Y129 HydrophobicContact CB-CD1 4.49Å; D125-Y129 HydrophobicContact CB-CE1 3.7Å; D125-Y129 HydrophobicContact CB-CE2 4.25Å; D125-Y129 WeakPolarHBondContact CB-OH 3.32Å; D125-Y129 WeakPolarHBondContact O-CD1 3.39Å; D125-Y129 PolarHBondContact O-N 2.97Å; K126-Y129 VanDerWaalsContact CA-CD2 3.49Å; K126-Y129 HydrophobicContact CB-CD2 4.37Å; K126-Y129 WeakPolarHBondContact O-CB 3.14Å; K126-Y129 PolarHBondContact O-N 3.29Å; Y129-R131 PolarHBondContact O-N 3.16Å; Y129-R131 VanDerWaalsContact O-N 3.13Å; Y129-S132 PolarHBondContact O-N 2.7Å; Y129-S132 VanDerWaalsContact O-N 3.07Å; Y129-G133 WeakPolarHBondContact O-CA 3.34Å; Y129-G133 PolarHBondContact O-N 2.82Å; Y129-G134 PolarHBondContact O-N 3.46Å; Y129-I162 HydrophobicContact CD2-CB 4.34Å; Y129-I162 HydrophobicContact CD2-CD1 4.29Å; Y129-I162 HydrophobicContact CD2-CG2 3.86Å; Y129-I162 HydrophobicContact CE2-CD1 4.27Å
130D91.9Very high95.6Very high96 Ų9647 Ų4751%0.51324%0.243SC..Hα-helixtrans-58.8-29.2-179.5-67.7-14.6000112.3K126K126-D130 IonicContact NZ-OD1 2.6Å; K126-D130 PolarHBondContact NZ-OD1 3.04Å; K126-D130 IonicContact NZ-OD2 2.77Å; K126-D130 PolarHBondContact NZ-OD2 3.33Å; K126-D130 PolarHBondContact O-N 2.75Å
131R92.7Very high95.4Very high226 Ų22643.9 Ų43.985%0.85323%0.226SC*.Hα-helixtrans-86.4-33.4176.4-68.6179.5-177.8-174.51.1113.8F128 Y129F128-R131 PolarHBondContact O-N 3.34Å; Y129-R131 PolarHBondContact O-N 3.16Å; Y129-R131 VanDerWaalsContact O-N 3.13Å
132S92Very high95.4Very high44 Ų4442.7 Ų42.731%0.30822%0.219SC..Hα-helixtrans-100.7-9.4-170.961.70000114.3G24 I25 F128 Y129 G134G24-S132 WeakPolarHBondContact CA-O 3.23Å; I25-S132 PolarHBondContact N-OG 3.42Å; F128-S132 WeakPolarHBondContact O-CB 3.25Å; F128-S132 PolarHBondContact O-N 3.4Å; F128-S132 PolarHBondContact O-OG 2.84Å; Y129-S132 PolarHBondContact O-N 2.7Å; Y129-S132 VanDerWaalsContact O-N 3.07Å; S132-G134 PolarHBondContact OG-N 3.29Å
133G91.5Very high95.4Very high48 Ų4842.7 Ų42.750%0.49522%0.219SC..THydrogen-bonded Turntrans71.220.3-167.600000113.1Y129 H163Y129-G133 WeakPolarHBondContact O-CA 3.34Å; Y129-G133 PolarHBondContact O-N 2.82Å; G133-H163 WeakPolarHBondContact O-CB 3.35Å
134G94.8Very high95.4Very high2 Ų239.6 Ų39.62%0.02120%0.203CC..  trans-82.9-166.2-17500000114.9I25 Y129 S132 H163I25-G134 CarbonylContact O-C 3.3Å; I25-G134 WeakPolarHBondContact O-CA 3.25Å; Y129-G134 PolarHBondContact O-N 3.46Å; S132-G134 PolarHBondContact OG-N 3.29Å; G134-H163 WeakPolarHBondContact O-CB 3.24Å; G134-H163 PolarHBondContact O-N 3.45Å; G134-H163 VanDerWaalsContact O-N 3.15Å
135G97.8Very high95.3Very high0 Ų033.5 Ų33.50%018%0.181CC..EExtended strand (participates in β ladder)trans159.2-136.6176.500000115.1I25 R26 T27 H163I25-G135 PolarHBondContact O-N 3.48Å; I25-G135 VanDerWaalsContact O-N 3.13Å; R26-G135 CarbonylContact C-O 3.38Å; R26-G135 WeakPolarHBondContact CA-O 3.37Å; R26-G135 WeakPolarHBondContact CB-O 3.31Å; T27-G135 PolarHBondContact N-O 3.41Å; G135-H163 CarbonylContact C-O 3.52Å; G135-H163 WeakPolarHBondContact CA-O 3.18Å
136L98.3Very high95.3Very high0 Ų035 Ų350%019%0.188CC..EExtended strand (participates in β ladder)trans-91.2137.7-177.7176.664.5000111.3R26 V29 V122 L138 L153 S157 I162 H163 A165R26-L136 PolarHBondContact NH2-O 3.42Å; V29-L136 HydrophobicContact CB-CD1 4.19Å; V29-L136 HydrophobicContact CG2-CD1 3.53Å; V122-L136 HydrophobicContact CG1-CB 4.29Å; V122-L136 HydrophobicContact CG1-CD1 4.36Å; V122-L136 HydrophobicContact CG2-CD1 3.84Å; L136-L138 HydrophobicContact CD1-CD2 4.09Å; L136-L138 HydrophobicContact CD2-CD2 3.82Å; L136-L138 HydrophobicContact CD2-CG 4.43Å; L136-L138 HydrophobicContact CG-CD2 4.06Å; L136-L153 HydrophobicContact CD2-CB 4.15Å; L136-S157 WeakPolarHBondContact CD2-OG 3.42Å; L136-I162 HydrophobicContact CB-CD1 4.36Å; L136-H163 PolarHBondContact N-O 2.99Å; L136-A165 PolarHBondContact O-N 2.61Å
137T98.6Very high95.3Very high0 Ų032.7 Ų32.70%018%0.18CC..EExtended strand (participates in β ladder)trans-120.2129.1160-56.40000110.2D21 R26 T27 V28 V29 A165D21-T137 HydrophobicContact CB-CG2 4.16Å; D21-T137 WeakPolarHBondContact O-CG2 3.32Å; D21-T137 PolarHBondContact O-OG1 3.15Å; R26-T137 WeakPolarHBondContact CD-OG1 3.35Å; R26-T137 PolarHBondContact NE-OG1 3.19Å; T27-T137 PolarHBondContact O-N 2.87Å; V28-T137 CarbonylContact C-O 3.57Å; V28-T137 VanDerWaalsContact CA-O 3.3Å; V28-T137 WeakPolarHBondContact CA-O 3.42Å; V29-T137 PolarHBondContact N-O 3.16Å; T137-A165 CarbonylContact C-O 3.53Å; T137-A165 VanDerWaalsContact CA-O 3.28Å; T137-A165 WeakPolarHBondContact CA-O 3.36Å; T137-A165 HydrophobicContact CG2-CB 4.14Å
138L98.2Very high95.2Very high0 Ų034.2 Ų34.20%018%0.18CC..EExtended strand (participates in β ladder)trans-89.3128.7166.7-58.1-171.3000109V29 L31 L136 P143 A150 L153 L154 A165 V166 E167V29-L138 HydrophobicContact CB-CD2 4.06Å; L31-L138 HydrophobicContact CD1-CB 4.1Å; L31-L138 HydrophobicContact CD1-CD2 4.08Å; L31-L138 HydrophobicContact CD1-CG 4.49Å; L136-L138 HydrophobicContact CD1-CD2 4.09Å; L136-L138 HydrophobicContact CD2-CD2 3.82Å; L136-L138 HydrophobicContact CD2-CG 4.43Å; L136-L138 HydrophobicContact CG-CD2 4.06Å; L138-P143 HydrophobicContact CB-CB 4.01Å; L138-P143 HydrophobicContact CB-CG 4.06Å; L138-A150 HydrophobicContact CD1-CB 3.96Å; L138-L153 HydrophobicContact CD2-CB 4.32Å; L138-L153 HydrophobicContact CD2-CD1 3.91Å; L138-L154 HydrophobicContact CD1-CD1 4.14Å; L138-L154 HydrophobicContact CD1-CD2 4.24Å; L138-L154 HydrophobicContact CD1-CG 3.89Å; L138-L154 HydrophobicContact CG-CD2 4.42Å; L138-A165 PolarHBondContact N-O 3.43Å; L138-V166 HydrophobicContact CB-CG1 4.37Å; L138-V166 HydrophobicContact CB-CG2 4.48Å; L138-E167 PolarHBondContact O-N 2.83Å
139S96.6Very high95Very high5 Ų530.5 Ų30.54%0.03516%0.164CC..EExtended strand (participates in β ladder)trans-147.9-168.3-178.9-177.90000110.8V29 F30 L31 E167V29-S139 PolarHBondContact O-N 3.17Å; F30-S139 CarbonylContact C-O 3.58Å; F30-S139 VanDerWaalsContact CA-O 3.3Å; F30-S139 WeakPolarHBondContact CA-O 3.44Å; L31-S139 PolarHBondContact N-O 3.39Å; S139-E167 WeakPolarHBondContact CB-OE2 3.16Å; S139-E167 PolarHBondContact OG-OE2 3.46Å
140G91.6Very high95Very high16 Ų1630.3 Ų30.317%0.16516%0.163CC..EExtended strand (participates in β ladder)trans106-100.6170.100000113.6S46S46-G140 PolarHBondContact OG-O 2.87Å
141G93.1Very high95.3Very high11 Ų1128.7 Ų28.711%0.11315%0.153CC..SBendtrans-71.6-147.5164.800000110.1L31 G33 S46 P143L31-G141 PolarHBondContact O-N 3.17Å; G33-G141 CarbonylContact O-C 3.5Å; G33-G141 WeakPolarHBondContact O-CA 3.21Å; S46-G141 WeakPolarHBondContact OG-CA 3.25Å; S46-G141 PolarHBondContact OG-N 3.43Å; G141-P143 WeakPolarHBondContact O-CD 3.47Å
142E96.5Very high95.5Very high1 Ų119.2 Ų19.21%0.00512%0.123CC..  trans-93.5107.8164.6170.748.9-113.500108G33 F144 M145 T168 C169 L170 V172G33-E142 PolarHBondContact O-N 3.33Å; E142-F144 PolarHBondContact O-N 3.09Å; E142-F144 VanDerWaalsContact O-N 3.07Å; E142-F144 VanDerWaalsContact OE1-CD2 3.23Å; E142-F144 WeakPolarHBondContact OE1-CD2 3.36Å; E142-F144 PolarHBondContact OE1-N 2.87Å; E142-F144 VanDerWaalsContact OE1-N 3.16Å; E142-M145 HydrophobicContact CB-CG 3.76Å; E142-M145 HydrophobicContact CG-CG 3.87Å; E142-M145 VanDerWaalsContact O-CB 3.26Å; E142-M145 WeakPolarHBondContact O-CB 3.36Å; E142-M145 PolarHBondContact O-N 2.91Å; E142-T168 PolarHBondContact OE1-OG1 2.94Å; E142-T168 PolarHBondContact OE2-OG1 2.92Å; E142-C169 WeakPolarHBondContact OE2-CA 3.19Å; E142-C169 PolarHBondContact OE2-N 3.3Å; E142-C169 PolarHBondContact OE2-SG 2.95Å; E142-L170 PolarHBondContact OE2-N 3.5Å; E142-V172 HydrophobicContact CG-CG1 3.54Å
143P97Very high95.7Very high0 Ų017.1 Ų17.10%011%0.109CC..G310 helixtrans-52.4-35.9-175.1-30.638.4000113.5L31 L138 G141 M145 Q146 V166 E167L31-P143 HydrophobicContact CD1-CB 4.41Å; L138-P143 HydrophobicContact CB-CB 4.01Å; L138-P143 HydrophobicContact CB-CG 4.06Å; G141-P143 WeakPolarHBondContact O-CD 3.47Å; P143-M145 PolarHBondContact O-N 2.93Å; P143-Q146 PolarHBondContact O-N 3.25Å; P143-Q146 VanDerWaalsContact O-N 3.16Å; P143-V166 HydrophobicContact CB-CG1 4.02Å; P143-V166 HydrophobicContact CG-CG1 3.91Å; P143-E167 VanDerWaalsContact CD-O 3.27Å; P143-E167 WeakPolarHBondContact CD-O 3.44Å; P143-E167 VanDerWaalsContact CG-O 3.31Å; P143-E167 WeakPolarHBondContact CG-O 3.35Å
144F97.2Very high96Very high0 Ų014.9 Ų14.90%09%0.085CC..G310 helixtrans-77.25.3179.2-60-62.6000114.5E142 A150 V166 T168 V172 Y176 I177 I184 F187E142-F144 PolarHBondContact O-N 3.09Å; E142-F144 VanDerWaalsContact O-N 3.07Å; E142-F144 VanDerWaalsContact OE1-CD2 3.23Å; E142-F144 WeakPolarHBondContact OE1-CD2 3.36Å; E142-F144 PolarHBondContact OE1-N 2.87Å; E142-F144 VanDerWaalsContact OE1-N 3.16Å; F144-A150 HydrophobicContact CD1-CB 4.25Å; F144-A150 HydrophobicContact CE1-CB 4.46Å; F144-V166 HydrophobicContact CE2-CG1 3.82Å; F144-V166 HydrophobicContact CZ-CB 4.48Å; F144-V166 HydrophobicContact CZ-CG1 3.93Å; F144-V166 HydrophobicContact CZ-CG2 4.35Å; F144-T168 HydrophobicContact CE2-CG2 4.3Å; F144-V172 HydrophobicContact CB-CG1 4.48Å; F144-V172 HydrophobicContact CB-CG2 3.74Å; F144-Y176 WeakPolarHBondContact CD1-O 3.45Å; F144-Y176 WeakPolarHBondContact O-CB 3.36Å; F144-Y176 WeakPolarHBondContact O-CD2 3.23Å; F144-I177 HydrophobicContact CB-CG1 4.24Å; F144-I177 HydrophobicContact CD1-CG1 4.38Å; F144-I177 HydrophobicContact CD2-CG1 3.76Å; F144-I177 HydrophobicContact CE1-CG2 4.43Å; F144-I177 HydrophobicContact CE2-CG1 4.19Å; F144-I177 HydrophobicContact CE2-CG2 4.14Å; F144-I177 HydrophobicContact CG-CG1 3.87Å; F144-I177 HydrophobicContact CZ-CG2 4.08Å; F144-I184 HydrophobicContact CE1-CD1 4.22Å; F144-I184 HydrophobicContact CZ-CD1 3.77Å; F144-F187 AromaticContact CE2-CE1 3.95Å; F144-F187 HydrophobicContact CE2-CE1 3.95Å; F144-F187 AromaticContact CZ-CE1 3.95Å; F144-F187 HydrophobicContact CZ-CE1 3.95Å
145M95.1Very high96.2Very high25 Ų2517.5 Ų17.512%0.12310%0.097CC..G310 helixtrans-75-14.5163.9-74.1-78.8-85.600112.6R49 E142 P143 P147 V172R49-M145 PolarHBondContact NH2-SD 2.99Å; R49-M145 VanDerWaalsContact NH2-SD 3.42Å; E142-M145 HydrophobicContact CB-CG 3.76Å; E142-M145 HydrophobicContact CG-CG 3.87Å; E142-M145 VanDerWaalsContact O-CB 3.26Å; E142-M145 WeakPolarHBondContact O-CB 3.36Å; E142-M145 PolarHBondContact O-N 2.91Å; P143-M145 PolarHBondContact O-N 2.93Å; M145-P147 VanDerWaalsContact C-CD 3.47Å; M145-V172 HydrophobicContact CG-CG1 3.99Å; M145-V172 HydrophobicContact SD-CG1 4Å
146Q94.9Very high96.2Very high33 Ų3318.8 Ų18.815%0.15411%0.107CC..SBendtrans-121.666.5170.1-61.4-173.772.200108.8T9 M10 L31 K32 P143 E148 M149 A150T9-Q146 PolarHBondContact OG1-OE1 3.26Å; M10-Q146 PolarHBondContact O-NE2 3.35Å; L31-Q146 HydrophobicContact CD2-CB 4.17Å; K32-Q146 PolarHBondContact O-NE2 3.43Å; P143-Q146 PolarHBondContact O-N 3.25Å; P143-Q146 VanDerWaalsContact O-N 3.16Å; Q146-E148 PolarHBondContact O-N 3.27Å; Q146-M149 HydrophobicContact CB-CB 4.33Å; Q146-M149 PolarHBondContact O-N 3.19Å; Q146-A150 PolarHBondContact O-N 3.21Å
147P95.3Very high96.1Very high18 Ų1818.8 Ų18.812%0.11711%0.107CC..Hα-helixtrans-64.7-38.5-163.122.6-30.2000114.1M145 M149 A150 M151 Y176M145-P147 VanDerWaalsContact C-CD 3.47Å; P147-M149 VanDerWaalsContact C-N 3.34Å; P147-A150 PolarHBondContact O-N 2.92Å; P147-M151 WeakPolarHBondContact O-CB 3.46Å; P147-M151 PolarHBondContact O-N 3.03Å; P147-Y176 HydrophobicContact CB-CD1 4.24Å; P147-Y176 HydrophobicContact CB-CG 4.09Å; P147-Y176 HydrophobicContact CG-CD1 3.84Å; P147-Y176 HydrophobicContact CG-CD2 4.35Å; P147-Y176 HydrophobicContact CG-CE1 4.25Å; P147-Y176 HydrophobicContact CG-CG 3.9Å
148E94.5Very high96Very high109 Ų10923 Ų2351%0.50913%0.127SC..Hα-helixtrans-64.2-42.3179.5-59.777.8-168.800110.9E7 Q146 A152E7-E148 WeakPolarHBondContact OE2-CB 3.14Å; Q146-E148 PolarHBondContact O-N 3.27Å; E148-A152 WeakPolarHBondContact O-CB 3.35Å; E148-A152 PolarHBondContact O-N 3.42Å
149M91.8Very high95.9Very high3 Ų329.6 Ų29.62%0.01516%0.158CC..Hα-helixtrans-68.2-46.6175.9179.162.454.800112.7E7 T9 V115 Q146 P147 M151 A152 L153E7-M149 HydrophobicContact CB-CE 4.47Å; E7-M149 WeakPolarHBondContact O-CE 3.24Å; T9-M149 VanDerWaalsContact CB-CE 3.47Å; T9-M149 HydrophobicContact CG2-CB 4.28Å; T9-M149 HydrophobicContact CG2-CG 3.59Å; T9-M149 HydrophobicContact CG2-SD 4.47Å; T9-M149 WeakPolarHBondContact OG1-CB 3.5Å; T9-M149 WeakPolarHBondContact OG1-CE 3.25Å; T9-M149 WeakPolarHBondContact OG1-CG 3.42Å; V115-M149 HydrophobicContact CB-SD 4.48Å; V115-M149 HydrophobicContact CG2-CE 3.71Å; V115-M149 HydrophobicContact CG2-SD 3.44Å; V115-M149 WeakPolarHBondContact CG2-SD 3.2Å; Q146-M149 HydrophobicContact CB-CB 4.33Å; Q146-M149 PolarHBondContact O-N 3.19Å; P147-M149 VanDerWaalsContact C-N 3.34Å; M149-M151 PolarHBondContact O-N 2.69Å; M149-A152 PolarHBondContact O-N 2.75Å; M149-A152 VanDerWaalsContact O-N 3.09Å; M149-L153 HydrophobicContact CG-CD1 3.81Å; M149-L153 HydrophobicContact CG-CG 4.23Å; M149-L153 PolarHBondContact O-N 3.31Å; M149-L153 HydrophobicContact SD-CD1 3.87Å; M149-L153 HydrophobicContact SD-CD2 4.43Å; M149-L153 HydrophobicContact SD-CG 3.78Å
150A96.2Very high95.9Very high0 Ų030.8 Ų30.80%017%0.168CC..Hα-helixtrans-54.8-47.2178.900000109.6L138 F144 Q146 P147 A152 L153 L154L138-A150 HydrophobicContact CD1-CB 3.96Å; F144-A150 HydrophobicContact CD1-CB 4.25Å; F144-A150 HydrophobicContact CE1-CB 4.46Å; Q146-A150 PolarHBondContact O-N 3.21Å; P147-A150 PolarHBondContact O-N 2.92Å; A150-A152 PolarHBondContact O-N 3.11Å; A150-L153 PolarHBondContact O-N 3.11Å; A150-L154 WeakPolarHBondContact O-CB 3.42Å; A150-L154 VanDerWaalsContact O-CD1 3.25Å; A150-L154 WeakPolarHBondContact O-CD1 3.33Å; A150-L154 WeakPolarHBondContact O-CG 3.36Å; A150-L154 PolarHBondContact O-N 3.37Å
151M97.2Very high96.1Very high61 Ų6133 Ų3330%0.319%0.19SC..Hα-helixtrans-58.8-48175-172.3-17473.600112P147 M149 L153 L154 Q155 P179 S180 Y183P147-M151 WeakPolarHBondContact O-CB 3.46Å; P147-M151 PolarHBondContact O-N 3.03Å; M149-M151 PolarHBondContact O-N 2.69Å; M151-L153 PolarHBondContact O-N 2.92Å; M151-L154 PolarHBondContact O-N 3.29Å; M151-Q155 VanDerWaalsContact O-CB 3.24Å; M151-Q155 WeakPolarHBondContact O-CB 3.29Å; M151-Q155 PolarHBondContact O-N 3.45Å; M151-P179 HydrophobicContact SD-CB 3.7Å; M151-S180 VanDerWaalsContact CA-OG 3.32Å; M151-S180 WeakPolarHBondContact CA-OG 3.11Å; M151-S180 WeakPolarHBondContact CB-OG 3.45Å; M151-S180 PolarHBondContact N-OG 2.87Å; M151-Y183 HydrophobicContact CG-CD2 4.4Å; M151-Y183 HydrophobicContact CG-CE2 4.31Å
152A96.6Very high96.3Very high28 Ų2832.8 Ų32.823%0.23119%0.187CC..Hα-helixtrans-64.2-41.1-177.400000113.1V115 E148 M149 A150 A156V115-A152 HydrophobicContact CG2-CB 3.71Å; E148-A152 WeakPolarHBondContact O-CB 3.35Å; E148-A152 PolarHBondContact O-N 3.42Å; M149-A152 PolarHBondContact O-N 2.75Å; M149-A152 VanDerWaalsContact O-N 3.09Å; A150-A152 PolarHBondContact O-N 3.11Å; A152-A156 VanDerWaalsContact O-CB 3.25Å; A152-A156 WeakPolarHBondContact O-CB 3.45Å; A152-A156 PolarHBondContact O-N 2.85Å
153L97.1Very high96.4Very high0 Ų035 Ų350%020%0.197CC..Hα-helixtrans-66.6-43176-74.2170.3000112.1V115 I118 M119 L136 L138 M149 A150 M151 S157V115-L153 HydrophobicContact CG1-CD2 4.1Å; I118-L153 HydrophobicContact CB-CD2 3.84Å; I118-L153 HydrophobicContact CD1-CD1 4.17Å; I118-L153 HydrophobicContact CD1-CD2 4.21Å; I118-L153 HydrophobicContact CG2-CD1 4.45Å; I118-L153 HydrophobicContact CG2-CD2 3.56Å; M119-L153 HydrophobicContact CG-CD2 4.12Å; M119-L153 HydrophobicContact SD-CD2 4.06Å; L136-L153 HydrophobicContact CD2-CB 4.15Å; L138-L153 HydrophobicContact CD2-CB 4.32Å; L138-L153 HydrophobicContact CD2-CD1 3.91Å; M149-L153 HydrophobicContact CG-CD1 3.81Å; M149-L153 HydrophobicContact CG-CG 4.23Å; M149-L153 PolarHBondContact O-N 3.31Å; M149-L153 HydrophobicContact SD-CD1 3.87Å; M149-L153 HydrophobicContact SD-CD2 4.43Å; M149-L153 HydrophobicContact SD-CG 3.78Å; A150-L153 PolarHBondContact O-N 3.11Å; M151-L153 PolarHBondContact O-N 2.92Å; L153-S157 VanDerWaalsContact O-CB 3.3Å; L153-S157 WeakPolarHBondContact O-CB 3.18Å; L153-S157 PolarHBondContact O-N 3.05Å; L153-S157 PolarHBondContact O-OG 3.02Å
154L98.2Very high96.5Very high0 Ų035 Ų350%020%0.197CC..Hα-helixtrans-65.4-45.2177.9-69.8164.9000111L138 A150 M151 S157 H158 T164 V166 I184L138-L154 HydrophobicContact CD1-CD1 4.14Å; L138-L154 HydrophobicContact CD1-CD2 4.24Å; L138-L154 HydrophobicContact CD1-CG 3.89Å; L138-L154 HydrophobicContact CG-CD2 4.42Å; A150-L154 WeakPolarHBondContact O-CB 3.42Å; A150-L154 VanDerWaalsContact O-CD1 3.25Å; A150-L154 WeakPolarHBondContact O-CD1 3.33Å; A150-L154 WeakPolarHBondContact O-CG 3.36Å; A150-L154 PolarHBondContact O-N 3.37Å; M151-L154 PolarHBondContact O-N 3.29Å; L154-S157 PolarHBondContact O-N 3.48Å; L154-H158 WeakPolarHBondContact O-CB 3.43Å; L154-H158 PolarHBondContact O-N 3.21Å; L154-T164 HydrophobicContact CD2-CG2 4.05Å; L154-V166 HydrophobicContact CD1-CG2 3.98Å; L154-V166 HydrophobicContact CD2-CG2 3.85Å; L154-I184 HydrophobicContact CD1-CD1 3.77Å; L154-I184 HydrophobicContact CD1-CG1 3.55Å; L154-I184 HydrophobicContact CD2-CG1 4.06Å; L154-I184 HydrophobicContact CG-CG1 4.34Å
155Q98Very high96.5Very high58 Ų5835 Ų3527%0.27120%0.197SC..Hα-helixtrans-60.7-50175.7-178.2179.5-800111.2M151 S157 H158 E159 Y183M151-Q155 VanDerWaalsContact O-CB 3.24Å; M151-Q155 WeakPolarHBondContact O-CB 3.29Å; M151-Q155 PolarHBondContact O-N 3.45Å; Q155-S157 VanDerWaalsContact C-N 3.25Å; Q155-S157 PolarHBondContact O-N 3.23Å; Q155-H158 PolarHBondContact O-N 3.49Å; Q155-E159 HydrophobicContact CG-CG 4.48Å; Q155-E159 WeakPolarHBondContact CG-OE1 3.46Å; Q155-E159 PolarHBondContact NE2-OE1 3.46Å; Q155-E159 WeakPolarHBondContact O-CB 3.49Å; Q155-E159 WeakPolarHBondContact O-CG 3.23Å; Q155-E159 PolarHBondContact O-N 2.84Å; Q155-Y183 HydrophobicContact CB-CD1 4.21Å; Q155-Y183 HydrophobicContact CB-CD2 3.92Å; Q155-Y183 HydrophobicContact CB-CE1 4.28Å; Q155-Y183 HydrophobicContact CB-CE2 3.98Å; Q155-Y183 HydrophobicContact CB-CG 4.02Å; Q155-Y183 HydrophobicContact CG-CD1 4.23Å; Q155-Y183 HydrophobicContact CG-CE1 3.89Å; Q155-Y183 HydrophobicContact CG-CE2 4.18Å
156A97.5Very high96.7Very high26 Ų2633.8 Ų33.822%0.21519%0.191CC..Hα-helixtrans-61.4-35.1179.100000112.4V115 M119 A152 A160V115-A156 HydrophobicContact CG1-CB 4.25Å; M119-A156 HydrophobicContact CE-CB 4.27Å; M119-A156 HydrophobicContact CG-CB 3.96Å; M119-A156 HydrophobicContact SD-CB 4.25Å; A152-A156 VanDerWaalsContact O-CB 3.25Å; A152-A156 WeakPolarHBondContact O-CB 3.45Å; A152-A156 PolarHBondContact O-N 2.85Å; A156-A160 WeakPolarHBondContact O-CB 3.4Å; A156-A160 PolarHBondContact O-N 2.59Å
157S97.6Very high96.9Very high0 Ų033.7 Ų33.70%019%0.19CC..Hα-helixtrans-69-43.5175.5-63.20000112.1M119 L136 L153 L154 Q155 A160 G161 I162M119-S157 WeakPolarHBondContact CE-OG 3.49Å; L136-S157 WeakPolarHBondContact CD2-OG 3.42Å; L153-S157 VanDerWaalsContact O-CB 3.3Å; L153-S157 WeakPolarHBondContact O-CB 3.18Å; L153-S157 PolarHBondContact O-N 3.05Å; L153-S157 PolarHBondContact O-OG 3.02Å; L154-S157 PolarHBondContact O-N 3.48Å; Q155-S157 VanDerWaalsContact C-N 3.25Å; Q155-S157 PolarHBondContact O-N 3.23Å; S157-A160 CarbonylContact O-C 3.56Å; S157-A160 PolarHBondContact O-N 2.9Å; S157-A160 VanDerWaalsContact O-N 3.15Å; S157-G161 PolarHBondContact O-N 3.06Å; S157-I162 VanDerWaalsContact O-CG1 3.25Å; S157-I162 WeakPolarHBondContact O-CG1 3.32Å; S157-I162 PolarHBondContact O-N 2.89Å
158H94.7Very high97Very high89 Ų8932.9 Ų32.941%0.41219%0.185SC..Hα-helixtrans-64.3-41.8176.3-170.7-81.9000111.4L154 Q155 A160 G161 Y183L154-H158 WeakPolarHBondContact O-CB 3.43Å; L154-H158 PolarHBondContact O-N 3.21Å; Q155-H158 PolarHBondContact O-N 3.49Å; H158-A160 PolarHBondContact O-N 3.04Å; H158-G161 PolarHBondContact O-N 3.27Å; H158-Y183 HydrophobicContact CB-CD1 4.29Å
159E96.9Very high97.1Very high139 Ų13928.1 Ų28.165%0.6516%0.164SC*.Hα-helixtrans-62.1-31173-72.9174.4-171.100112.6Q155 G161Q155-E159 HydrophobicContact CG-CG 4.48Å; Q155-E159 WeakPolarHBondContact CG-OE1 3.46Å; Q155-E159 PolarHBondContact NE2-OE1 3.46Å; Q155-E159 WeakPolarHBondContact O-CB 3.49Å; Q155-E159 WeakPolarHBondContact O-CG 3.23Å; Q155-E159 PolarHBondContact O-N 2.84Å; E159-G161 PolarHBondContact O-N 2.91Å
160A97Very high97.4Very high30 Ų3028 Ų2825%0.24816%0.163CC..THydrogen-bonded Turntrans-79.7-2.2173.800000114L123 K126 A156 S157 H158L123-A160 HydrophobicContact CD2-CB 3.78Å; K126-A160 WeakPolarHBondContact CE-O 3.35Å; A156-A160 WeakPolarHBondContact O-CB 3.4Å; A156-A160 PolarHBondContact O-N 2.59Å; S157-A160 CarbonylContact O-C 3.56Å; S157-A160 PolarHBondContact O-N 2.9Å; S157-A160 VanDerWaalsContact O-N 3.15Å; H158-A160 PolarHBondContact O-N 3.04Å
161G96.5Very high97.5Very high61 Ų6128.6 Ų28.663%0.62917%0.166SC*.THydrogen-bonded Turntrans71.929.5177.300000114.3S157 H158 E159S157-G161 PolarHBondContact O-N 3.06Å; H158-G161 PolarHBondContact O-N 3.27Å; E159-G161 PolarHBondContact O-N 2.91Å
162I97.5Very high97.5Very high8 Ų825.8 Ų25.84%0.04115%0.152CC..  trans-111.9146.3177.662.7167.7000110.5V122 L123 K126 Y129 L136 S157V122-I162 HydrophobicContact CG1-CD1 3.81Å; L123-I162 HydrophobicContact CD2-CD1 4.45Å; K126-I162 HydrophobicContact CG-CG2 4.21Å; Y129-I162 HydrophobicContact CD2-CB 4.34Å; Y129-I162 HydrophobicContact CD2-CD1 4.29Å; Y129-I162 HydrophobicContact CD2-CG2 3.86Å; Y129-I162 HydrophobicContact CE2-CD1 4.27Å; L136-I162 HydrophobicContact CB-CD1 4.36Å; S157-I162 VanDerWaalsContact O-CG1 3.25Å; S157-I162 WeakPolarHBondContact O-CG1 3.32Å; S157-I162 PolarHBondContact O-N 2.89Å
163H97.9Very high97.5Very high46 Ų4626.7 Ų26.721%0.21316%0.156CC..EExtended strand (participates in β ladder)trans-63.9141-178.9179.8-73.4000110.7R26 G133 G134 G135 L136 D185R26-H163 PolarHBondContact NH1-ND1 2.86Å; R26-H163 PolarHBondContact NH2-ND1 2.73Å; R26-H163 PolarHBondContact NH2-O 3.25Å; G133-H163 WeakPolarHBondContact O-CB 3.35Å; G134-H163 WeakPolarHBondContact O-CB 3.24Å; G134-H163 PolarHBondContact O-N 3.45Å; G134-H163 VanDerWaalsContact O-N 3.15Å; G135-H163 CarbonylContact C-O 3.52Å; G135-H163 WeakPolarHBondContact CA-O 3.18Å; L136-H163 PolarHBondContact N-O 2.99Å; H163-D185 WeakPolarHBondContact CA-OD2 3.44Å; H163-D185 IonicContact CD2-OD2 2.87Å; H163-D185 IonicContact CG-OD2 2.93Å
164T98.5Very high97.6Very high0 Ų030 Ų300%017%0.168CC..EExtended strand (participates in β ladder)trans-113.9132.8178.558.70000112.5L154 Y183 I184 D185 L186L154-T164 HydrophobicContact CD2-CG2 4.05Å; T164-Y183 WeakPolarHBondContact CB-O 3.33Å; T164-Y183 PolarHBondContact OG1-O 3.42Å; T164-I184 WeakPolarHBondContact OG1-CA 3.25Å; T164-D185 PolarHBondContact N-OD2 3.47Å; T164-D185 WeakPolarHBondContact O-CB 3.48Å; T164-D185 PolarHBondContact O-N 2.94Å; T164-D185 PolarHBondContact OG1-N 3.15Å; T164-D185 VanDerWaalsContact OG1-N 3.16Å; T164-D185 PolarHBondContact OG1-OD2 3.11Å; T164-L186 PolarHBondContact O-N 3.34Å; T164-L186 VanDerWaalsContact O-N 3.16Å
165A98.4Very high97.6Very high0 Ų037 Ų370%020%0.198CC..EExtended strand (participates in β ladder)trans-128.7152.2172.800000110.7L136 T137 L138 L186L136-A165 PolarHBondContact O-N 2.61Å; T137-A165 CarbonylContact C-O 3.53Å; T137-A165 VanDerWaalsContact CA-O 3.28Å; T137-A165 WeakPolarHBondContact CA-O 3.36Å; T137-A165 HydrophobicContact CG2-CB 4.14Å; L138-A165 PolarHBondContact N-O 3.43Å; A165-L186 CarbonylContact C-O 3.51Å; A165-L186 VanDerWaalsContact CA-O 3.27Å; A165-L186 WeakPolarHBondContact CA-O 3.18Å; A165-L186 HydrophobicContact CB-CB 4.2Å; A165-L186 HydrophobicContact CB-CD2 4.41Å
166V98.5Very high97.6Very high0 Ų037.6 Ų37.60%020%0.199CC..EExtended strand (participates in β ladder)trans-131.1120.1174-173.90000109.3L138 P143 F144 L154 T168 I184 L186 L188L138-V166 HydrophobicContact CB-CG1 4.37Å; L138-V166 HydrophobicContact CB-CG2 4.48Å; P143-V166 HydrophobicContact CB-CG1 4.02Å; P143-V166 HydrophobicContact CG-CG1 3.91Å; F144-V166 HydrophobicContact CE2-CG1 3.82Å; F144-V166 HydrophobicContact CZ-CB 4.48Å; F144-V166 HydrophobicContact CZ-CG1 3.93Å; F144-V166 HydrophobicContact CZ-CG2 4.35Å; L154-V166 HydrophobicContact CD1-CG2 3.98Å; L154-V166 HydrophobicContact CD2-CG2 3.85Å; V166-T168 HydrophobicContact CG1-CG2 4.3Å; V166-I184 HydrophobicContact CG2-CD1 3.96Å; V166-I184 HydrophobicContact CG2-CG1 4.02Å; V166-I184 HydrophobicContact CG2-CG2 4.25Å; V166-L186 PolarHBondContact N-O 3.36Å; V166-L188 PolarHBondContact O-N 3.23Å
167E97.9Very high97.6Very high31 Ų3136.3 Ų36.315%0.14519%0.188CC..EExtended strand (participates in β ladder)trans-86.7117.1166-168.5178-165.300109L138 S139 P143 L188 R227L138-E167 PolarHBondContact O-N 2.83Å; S139-E167 WeakPolarHBondContact CB-OE2 3.16Å; S139-E167 PolarHBondContact OG-OE2 3.46Å; P143-E167 VanDerWaalsContact CD-O 3.27Å; P143-E167 WeakPolarHBondContact CD-O 3.44Å; P143-E167 VanDerWaalsContact CG-O 3.31Å; P143-E167 WeakPolarHBondContact CG-O 3.35Å; E167-L188 VanDerWaalsContact CA-O 3.31Å; E167-L188 WeakPolarHBondContact CA-O 3.39Å; E167-L188 HydrophobicContact CB-CB 4.26Å; E167-L188 HydrophobicContact CG-CB 4.35Å; E167-R227 IonicContact OE1-CZ 2.7Å; E167-R227 IonicContact OE1-NE 3.76Å; E167-R227 IonicContact OE1-NH2 2.71Å; E167-R227 PolarHBondContact OE1-NH2 3.12Å; E167-R227 VanDerWaalsContact OE1-NH2 3.15Å
168T98Very high97.6Very high2 Ų237.9 Ų37.91%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-144.5142.5-167.51750000111.7E142 F144 V166 L170 F187 L188 D190E142-T168 PolarHBondContact OE1-OG1 2.94Å; E142-T168 PolarHBondContact OE2-OG1 2.92Å; F144-T168 HydrophobicContact CE2-CG2 4.3Å; V166-T168 HydrophobicContact CG1-CG2 4.3Å; T168-L170 VanDerWaalsContact C-N 3.34Å; T168-L170 HydrophobicContact CG2-CD1 4.49Å; T168-L170 HydrophobicContact CG2-CD2 3.63Å; T168-L170 HydrophobicContact CG2-CG 3.74Å; T168-L170 PolarHBondContact OG1-N 3.32Å; T168-F187 HydrophobicContact CG2-CD1 3.87Å; T168-F187 HydrophobicContact CG2-CE1 4.46Å; T168-L188 PolarHBondContact N-O 3.38Å; T168-D190 PolarHBondContact O-N 3.05Å
169C97.2Very high97.8Very high8 Ų836.8 Ų36.85%0.05420%0.202CC..  trans-88-7.1170.378.10000113L36 E142 H171 V210L36-C169 HydrophobicContact CD1-CB 3.67Å; L36-C169 VanDerWaalsContact CD1-SG 3.57Å; E142-C169 WeakPolarHBondContact OE2-CA 3.19Å; E142-C169 PolarHBondContact OE2-N 3.3Å; E142-C169 PolarHBondContact OE2-SG 2.95Å; C169-H171 PolarHBondContact O-N 3.16Å; C169-V210 WeakPolarHBondContact O-CG2 3.18Å
170L98.1Very high97.8Very high0 Ų030.2 Ų30.20%017%0.171CC..  trans56.115.2177.6-63.6170.8000115E142 T168 V172 I177 A189 V210 N213 L214 L217E142-L170 PolarHBondContact OE2-N 3.5Å; T168-L170 VanDerWaalsContact C-N 3.34Å; T168-L170 HydrophobicContact CG2-CD1 4.49Å; T168-L170 HydrophobicContact CG2-CD2 3.63Å; T168-L170 HydrophobicContact CG2-CG 3.74Å; T168-L170 PolarHBondContact OG1-N 3.32Å; L170-V172 PolarHBondContact O-N 3.01Å; L170-I177 HydrophobicContact CD2-CD1 3.79Å; L170-A189 HydrophobicContact CD1-CB 3.77Å; L170-V210 HydrophobicContact CB-CG1 4.31Å; L170-N213 HydrophobicContact CB-CB 4.17Å; L170-N213 PolarHBondContact O-ND2 2.8Å; L170-L214 HydrophobicContact CD1-CD2 3.43Å; L170-L214 VanDerWaalsContact CD1-CD2 3.43Å; L170-L214 HydrophobicContact CD1-CG 3.66Å; L170-L217 HydrophobicContact CD1-CD1 3.72Å; L170-L217 HydrophobicContact CD2-CD1 3.78Å; L170-L217 HydrophobicContact CG-CD1 4.43Å
171H97.6Very high97.9Very high14 Ų1429.8 Ų29.87%0.06517%0.165CC..  trans-85.351.9179.4-170.2-107.2000112S35 L36 C169 N206 V210S35-H171 WeakPolarHBondContact CB-O 3.49Å; S35-H171 WeakPolarHBondContact OG-CB 3.42Å; S35-H171 PolarHBondContact OG-ND1 2.63Å; S35-H171 PolarHBondContact OG-O 3.1Å; L36-H171 HydrophobicContact CD1-CB 4.16Å; L36-H171 HydrophobicContact CD2-CB 3.77Å; L36-H171 VanDerWaalsContact CD2-CG 3.47Å; L36-H171 WeakPolarHBondContact CD2-ND1 3.28Å; L36-H171 HydrophobicContact CG-CB 3.86Å; C169-H171 PolarHBondContact O-N 3.16Å; H171-N206 PolarHBondContact CD2-O 2.82Å; H171-N206 PolarHBondContact NE2-N 3.27Å; H171-V210 HydrophobicContact CB-CG2 3.9Å
172V97.5Very high97.9Very high1 Ų131 Ų311%0.00616%0.161CC..SBendtrans-133.2160.7179.5-73.10000111.3E142 F144 M145 L170 W174 Y176 I177 N213E142-V172 HydrophobicContact CG-CG1 3.54Å; F144-V172 HydrophobicContact CB-CG1 4.48Å; F144-V172 HydrophobicContact CB-CG2 3.74Å; M145-V172 HydrophobicContact CG-CG1 3.99Å; M145-V172 HydrophobicContact SD-CG1 4Å; L170-V172 PolarHBondContact O-N 3.01Å; V172-W174 PolarHBondContact O-N 3.16Å; V172-Y176 HydrophobicContact CB-CD2 4.19Å; V172-Y176 HydrophobicContact CG1-CD2 4.47Å; V172-I177 HydrophobicContact CG2-CD1 3.75Å; V172-I177 HydrophobicContact CG2-CG1 3.73Å; V172-N213 PolarHBondContact O-ND2 3.07Å
173P97.9Very high98Very high47 Ų4733.6 Ų33.631%0.30517%0.171SC..  trans-57.8136.6170-23.934.9000111.7K175 Y176P173-K175 HydrophobicContact CB-CG 3.9Å; P173-K175 PolarHBondContact O-N 3.32Å; P173-Y176 HydrophobicContact CG-CD2 4.31Å; P173-Y176 HydrophobicContact CG-CE2 4.16Å; P173-Y176 WeakPolarHBondContact O-CB 3.22Å; P173-Y176 PolarHBondContact O-N 3.43Å
174W98Very high98Very high70 Ų7031.5 Ų31.527%0.26516%0.161SC..Hα-helixtrans-50.8-34.1179179.2-113.3000114.1V172 Y176 I177 A178 L181 K216 L217V172-W174 PolarHBondContact O-N 3.16Å; W174-Y176 PolarHBondContact O-N 2.63Å; W174-I177 HydrophobicContact CE3-CB 4.17Å; W174-I177 HydrophobicContact CE3-CD1 4.05Å; W174-I177 HydrophobicContact CE3-CG2 4.45Å; W174-I177 HydrophobicContact CZ3-CB 4.3Å; W174-I177 HydrophobicContact CZ3-CD1 4.39Å; W174-I177 HydrophobicContact CZ3-CG2 4.07Å; W174-I177 PolarHBondContact O-N 3.18Å; W174-A178 HydrophobicContact CD2-CB 4.44Å; W174-A178 HydrophobicContact CZ2-CB 4.25Å; W174-A178 PolarHBondContact O-N 2.68Å; W174-L181 HydrophobicContact CH2-CD1 3.85Å; W174-L181 HydrophobicContact CH2-CD2 4.47Å; W174-L181 HydrophobicContact CZ2-CD1 3.76Å; W174-K216 HydrophobicContact CD2-CB 4.22Å; W174-K216 HydrophobicContact CD2-CD 3.77Å; W174-K216 HydrophobicContact CE3-CB 3.92Å; W174-K216 HydrophobicContact CE3-CD 3.99Å; W174-K216 HydrophobicContact CG-CD 4Å; W174-K216 HydrophobicContact CH2-CB 3.52Å; W174-K216 HydrophobicContact CZ2-CB 3.84Å; W174-K216 HydrophobicContact CZ3-CB 3.56Å; W174-K216 HydrophobicContact CZ3-CD 4.5Å; W174-L217 HydrophobicContact CH2-CD2 3.94Å; W174-L217 HydrophobicContact CH2-CG 4.43Å; W174-L217 HydrophobicContact CZ3-CD2 3.91Å; W174-L217 HydrophobicContact CZ3-CG 4.12Å
175K98.1Very high98Very high146 Ų14634.5 Ų34.564%0.63518%0.177SC*.Hα-helixtrans-58.8-17.4176.464.3171-177.8176.90114.5P173 P179P173-K175 HydrophobicContact CB-CG 3.9Å; P173-K175 PolarHBondContact O-N 3.32Å; K175-P179 VanDerWaalsContact O-CD 3.3Å; K175-P179 WeakPolarHBondContact O-CD 3.39Å
176Y97.8Very high97.9Very high71 Ų7134.6 Ų34.628%0.27818%0.178SC..Hα-helixtrans-87.3-22.8175.4-67.2-5.5000112.7F144 P147 V172 P173 W174F144-Y176 WeakPolarHBondContact CD1-O 3.45Å; F144-Y176 WeakPolarHBondContact O-CB 3.36Å; F144-Y176 WeakPolarHBondContact O-CD2 3.23Å; P147-Y176 HydrophobicContact CB-CD1 4.24Å; P147-Y176 HydrophobicContact CB-CG 4.09Å; P147-Y176 HydrophobicContact CG-CD1 3.84Å; P147-Y176 HydrophobicContact CG-CD2 4.35Å; P147-Y176 HydrophobicContact CG-CE1 4.25Å; P147-Y176 HydrophobicContact CG-CG 3.9Å; V172-Y176 HydrophobicContact CB-CD2 4.19Å; V172-Y176 HydrophobicContact CG1-CD2 4.47Å; P173-Y176 HydrophobicContact CG-CD2 4.31Å; P173-Y176 HydrophobicContact CG-CE2 4.16Å; P173-Y176 WeakPolarHBondContact O-CB 3.22Å; P173-Y176 PolarHBondContact O-N 3.43Å; W174-Y176 PolarHBondContact O-N 2.63Å
177I98.5Very high97.9Very high0 Ų034.6 Ų34.60%018%0.178CC..Hα-helixtrans-93.2-48.5-179-56.3164.5000110.2F144 L170 V172 W174 P179 S180 L181 F187 N213 L217F144-I177 HydrophobicContact CB-CG1 4.24Å; F144-I177 HydrophobicContact CD1-CG1 4.38Å; F144-I177 HydrophobicContact CD2-CG1 3.76Å; F144-I177 HydrophobicContact CE1-CG2 4.43Å; F144-I177 HydrophobicContact CE2-CG1 4.19Å; F144-I177 HydrophobicContact CE2-CG2 4.14Å; F144-I177 HydrophobicContact CG-CG1 3.87Å; F144-I177 HydrophobicContact CZ-CG2 4.08Å; L170-I177 HydrophobicContact CD2-CD1 3.79Å; V172-I177 HydrophobicContact CG2-CD1 3.75Å; V172-I177 HydrophobicContact CG2-CG1 3.73Å; W174-I177 HydrophobicContact CE3-CB 4.17Å; W174-I177 HydrophobicContact CE3-CD1 4.05Å; W174-I177 HydrophobicContact CE3-CG2 4.45Å; W174-I177 HydrophobicContact CZ3-CB 4.3Å; W174-I177 HydrophobicContact CZ3-CD1 4.39Å; W174-I177 HydrophobicContact CZ3-CG2 4.07Å; W174-I177 PolarHBondContact O-N 3.18Å; I177-P179 VanDerWaalsContact C-CD 3.41Å; I177-P179 VanDerWaalsContact O-N 3.16Å; I177-S180 PolarHBondContact O-N 3.38Å; I177-L181 HydrophobicContact CG2-CD2 4.25Å; I177-F187 HydrophobicContact CG2-CE1 4.4Å; I177-F187 HydrophobicContact CG2-CZ 4.38Å; I177-N213 HydrophobicContact CD1-CB 4.17Å; I177-L217 HydrophobicContact CG2-CD2 4.13Å
178A98Very high97.9Very high33 Ų3333.2 Ų33.227%0.27317%0.172SC..G310 helixtrans-50.7-42.5-169.500000115W174 S180 L181W174-A178 HydrophobicContact CD2-CB 4.44Å; W174-A178 HydrophobicContact CZ2-CB 4.25Å; W174-A178 PolarHBondContact O-N 2.68Å; A178-S180 PolarHBondContact O-N 2.98Å; A178-L181 WeakPolarHBondContact O-CB 3.46Å; A178-L181 WeakPolarHBondContact O-CG 3.44Å; A178-L181 PolarHBondContact O-N 3Å
179P97.8Very high97.9Very high66 Ų6633.1 Ų33.143%0.42917%0.171SC..G310 helixtrans-63-27.4179.3-23.735.9000114.2M151 K175 I177 P182M151-P179 HydrophobicContact SD-CB 3.7Å; K175-P179 VanDerWaalsContact O-CD 3.3Å; K175-P179 WeakPolarHBondContact O-CD 3.39Å; I177-P179 VanDerWaalsContact C-CD 3.41Å; I177-P179 VanDerWaalsContact O-N 3.16Å; P179-P182 WeakPolarHBondContact O-CD 3.12Å
180S97.8Very high98Very high0 Ų034 Ų340%018%0.175CC..G310 helixtrans-84.9-15-178.4-61.30000113.2M151 I177 A178 P182 Y183 I184M151-S180 VanDerWaalsContact CA-OG 3.32Å; M151-S180 WeakPolarHBondContact CA-OG 3.11Å; M151-S180 WeakPolarHBondContact CB-OG 3.45Å; M151-S180 PolarHBondContact N-OG 2.87Å; I177-S180 PolarHBondContact O-N 3.38Å; A178-S180 PolarHBondContact O-N 2.98Å; S180-P182 VanDerWaalsContact C-CD 3.42Å; S180-Y183 PolarHBondContact O-N 3.29Å; S180-I184 WeakPolarHBondContact O-CG1 3.21Å
181L97.9Very high97.9Very high22 Ų2234 Ų3412%0.11518%0.175CC..G310 helixtrans-51.3-44.7-173.8-68.6175.6000114W174 I177 A178 Y183 I184 F187 L217 A220 K222W174-L181 HydrophobicContact CH2-CD1 3.85Å; W174-L181 HydrophobicContact CH2-CD2 4.47Å; W174-L181 HydrophobicContact CZ2-CD1 3.76Å; I177-L181 HydrophobicContact CG2-CD2 4.25Å; A178-L181 WeakPolarHBondContact O-CB 3.46Å; A178-L181 WeakPolarHBondContact O-CG 3.44Å; A178-L181 PolarHBondContact O-N 3Å; L181-Y183 PolarHBondContact O-N 2.84Å; L181-I184 PolarHBondContact O-N 3.25Å; L181-F187 HydrophobicContact CD2-CE2 4.02Å; L181-F187 HydrophobicContact CD2-CZ 3.79Å; L181-L217 HydrophobicContact CD2-CD2 3.49Å; L181-L217 VanDerWaalsContact CD2-CD2 3.49Å; L181-A220 HydrophobicContact CD1-CB 4.41Å; L181-K222 HydrophobicContact CD2-CG 4.12Å; L181-K222 WeakPolarHBondContact O-CE 3.19Å; L181-K222 PolarHBondContact O-NZ 3.28Å
182P97.9Very high97.9Very high85 Ų8533.8 Ų33.855%0.55217%0.174SC*.G310 helixtrans-58.8-21.4-178.6-25.536.8000114.4P179 S180P179-P182 WeakPolarHBondContact O-CD 3.12Å; S180-P182 VanDerWaalsContact C-CD 3.42Å
183Y98.3Very high97.9Very high64 Ų6434.5 Ų34.525%0.25118%0.177SC..G310 helixtrans-110.312.4-173.6-44.9-63.5000113.3M151 Q155 H158 T164 S180 L181M151-Y183 HydrophobicContact CG-CD2 4.4Å; M151-Y183 HydrophobicContact CG-CE2 4.31Å; Q155-Y183 HydrophobicContact CB-CD1 4.21Å; Q155-Y183 HydrophobicContact CB-CD2 3.92Å; Q155-Y183 HydrophobicContact CB-CE1 4.28Å; Q155-Y183 HydrophobicContact CB-CE2 3.98Å; Q155-Y183 HydrophobicContact CB-CG 4.02Å; Q155-Y183 HydrophobicContact CG-CD1 4.23Å; Q155-Y183 HydrophobicContact CG-CE1 3.89Å; Q155-Y183 HydrophobicContact CG-CE2 4.18Å; H158-Y183 HydrophobicContact CB-CD1 4.29Å; T164-Y183 WeakPolarHBondContact CB-O 3.33Å; T164-Y183 PolarHBondContact OG1-O 3.42Å; S180-Y183 PolarHBondContact O-N 3.29Å; L181-Y183 PolarHBondContact O-N 2.84Å
184I98.2Very high97.9Very high1 Ų134 Ų341%0.00517%0.173CC..  trans-112.8119.3178-60165.7000109.5F144 L154 T164 V166 S180 L181 L186 F187 K222F144-I184 HydrophobicContact CE1-CD1 4.22Å; F144-I184 HydrophobicContact CZ-CD1 3.77Å; L154-I184 HydrophobicContact CD1-CD1 3.77Å; L154-I184 HydrophobicContact CD1-CG1 3.55Å; L154-I184 HydrophobicContact CD2-CG1 4.06Å; L154-I184 HydrophobicContact CG-CG1 4.34Å; T164-I184 WeakPolarHBondContact OG1-CA 3.25Å; V166-I184 HydrophobicContact CG2-CD1 3.96Å; V166-I184 HydrophobicContact CG2-CG1 4.02Å; V166-I184 HydrophobicContact CG2-CG2 4.25Å; S180-I184 WeakPolarHBondContact O-CG1 3.21Å; L181-I184 PolarHBondContact O-N 3.25Å; I184-L186 WeakPolarHBondContact CG2-O 3.47Å; I184-F187 HydrophobicContact CB-CE2 4Å; I184-F187 HydrophobicContact CB-CZ 4.2Å; I184-F187 HydrophobicContact CD1-CE1 3.96Å; I184-F187 HydrophobicContact CD1-CE2 4.11Å; I184-F187 HydrophobicContact CD1-CZ 3.41Å; I184-F187 VanDerWaalsContact CD1-CZ 3.41Å; I184-F187 HydrophobicContact CG1-CZ 4.39Å; I184-F187 HydrophobicContact CG2-CD2 3.77Å; I184-F187 HydrophobicContact CG2-CE1 4.41Å; I184-F187 HydrophobicContact CG2-CE2 3.46Å; I184-F187 VanDerWaalsContact CG2-CE2 3.46Å; I184-F187 HydrophobicContact CG2-CG 4.37Å; I184-F187 HydrophobicContact CG2-CZ 3.83Å; I184-K222 PolarHBondContact O-NZ 3.23Å
185D97.6Very high97.7Very high63 Ų6332.5 Ų32.534%0.33718%0.176SC..SBendtrans-83.8-37.3173.8-57.2-49000111.8H163 T164H163-D185 WeakPolarHBondContact CA-OD2 3.44Å; H163-D185 IonicContact CD2-OD2 2.87Å; H163-D185 IonicContact CG-OD2 2.93Å; T164-D185 PolarHBondContact N-OD2 3.47Å; T164-D185 WeakPolarHBondContact O-CB 3.48Å; T164-D185 PolarHBondContact O-N 2.94Å; T164-D185 PolarHBondContact OG1-N 3.15Å; T164-D185 VanDerWaalsContact OG1-N 3.16Å; T164-D185 PolarHBondContact OG1-OD2 3.11Å
186L98Very high97.5Very high2 Ų229.5 Ų29.51%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-140.8133.5-174.3179.763000113.4P23 T164 A165 V166 I184 L188 K223 I225P23-L186 HydrophobicContact CG-CD2 4.48Å; T164-L186 PolarHBondContact O-N 3.34Å; T164-L186 VanDerWaalsContact O-N 3.16Å; A165-L186 CarbonylContact C-O 3.51Å; A165-L186 VanDerWaalsContact CA-O 3.27Å; A165-L186 WeakPolarHBondContact CA-O 3.18Å; A165-L186 HydrophobicContact CB-CB 4.2Å; A165-L186 HydrophobicContact CB-CD2 4.41Å; V166-L186 PolarHBondContact N-O 3.36Å; I184-L186 WeakPolarHBondContact CG2-O 3.47Å; L186-L188 HydrophobicContact CD2-CD2 3.94Å; L186-L188 HydrophobicContact CD2-CG 4.43Å; L186-L188 HydrophobicContact CG-CD2 4.24Å; L186-K223 HydrophobicContact CD1-CB 4.29Å; L186-K223 HydrophobicContact CD1-CD 4.11Å; L186-K223 HydrophobicContact CD1-CG 3.87Å; L186-I225 HydrophobicContact CD1-CD1 3.93Å; L186-I225 HydrophobicContact CD1-CG1 3.95Å; L186-I225 HydrophobicContact CD2-CD1 4.17Å
187F98.5Very high97.5Very high0 Ų029.8 Ų29.80%018%0.184CC..EExtended strand (participates in β ladder)trans-99.2127.5163.4-73.6-91.4000110.8F144 T168 I177 L181 I184 L217 K222 K223 I224 I225F144-F187 AromaticContact CE2-CE1 3.95Å; F144-F187 HydrophobicContact CE2-CE1 3.95Å; F144-F187 AromaticContact CZ-CE1 3.95Å; F144-F187 HydrophobicContact CZ-CE1 3.95Å; T168-F187 HydrophobicContact CG2-CD1 3.87Å; T168-F187 HydrophobicContact CG2-CE1 4.46Å; I177-F187 HydrophobicContact CG2-CE1 4.4Å; I177-F187 HydrophobicContact CG2-CZ 4.38Å; L181-F187 HydrophobicContact CD2-CE2 4.02Å; L181-F187 HydrophobicContact CD2-CZ 3.79Å; I184-F187 HydrophobicContact CB-CE2 4Å; I184-F187 HydrophobicContact CB-CZ 4.2Å; I184-F187 HydrophobicContact CD1-CE1 3.96Å; I184-F187 HydrophobicContact CD1-CE2 4.11Å; I184-F187 HydrophobicContact CD1-CZ 3.41Å; I184-F187 VanDerWaalsContact CD1-CZ 3.41Å; I184-F187 HydrophobicContact CG1-CZ 4.39Å; I184-F187 HydrophobicContact CG2-CD2 3.77Å; I184-F187 HydrophobicContact CG2-CE1 4.41Å; I184-F187 HydrophobicContact CG2-CE2 3.46Å; I184-F187 VanDerWaalsContact CG2-CE2 3.46Å; I184-F187 HydrophobicContact CG2-CG 4.37Å; I184-F187 HydrophobicContact CG2-CZ 3.83Å; F187-L217 HydrophobicContact CD1-CD1 3.75Å; F187-L217 HydrophobicContact CD1-CD2 4.48Å; F187-L217 HydrophobicContact CD2-CD1 4.29Å; F187-L217 HydrophobicContact CD2-CD2 4.25Å; F187-L217 HydrophobicContact CE1-CD1 3.9Å; F187-L217 HydrophobicContact CE1-CD2 3.92Å; F187-L217 HydrophobicContact CE2-CD1 4.43Å; F187-L217 HydrophobicContact CE2-CD2 3.67Å; F187-L217 HydrophobicContact CG-CD1 3.94Å; F187-L217 HydrophobicContact CZ-CD1 4.24Å; F187-L217 HydrophobicContact CZ-CD2 3.47Å; F187-L217 VanDerWaalsContact CZ-CD2 3.47Å; F187-K222 HydrophobicContact CD2-CB 4.01Å; F187-K222 HydrophobicContact CD2-CG 4.47Å; F187-K222 HydrophobicContact CE2-CB 4.04Å; F187-K222 HydrophobicContact CE2-CG 3.98Å; F187-K223 PolarHBondContact N-O 3.28Å; F187-I224 HydrophobicContact CB-CG1 4.27Å; F187-I224 HydrophobicContact CB-CG2 4.45Å; F187-I225 PolarHBondContact O-N 2.95Å
188L98Very high97.4Very high3 Ų331.3 Ų31.32%0.01619%0.193CC..EExtended strand (participates in β ladder)trans-99.988.5162.5-60.2179.2000106.3D21 V166 E167 T168 L186 I225D21-L188 VanDerWaalsContact C-CD1 3.49Å; D21-L188 WeakPolarHBondContact O-CD1 3.28Å; V166-L188 PolarHBondContact O-N 3.23Å; E167-L188 VanDerWaalsContact CA-O 3.31Å; E167-L188 WeakPolarHBondContact CA-O 3.39Å; E167-L188 HydrophobicContact CB-CB 4.26Å; E167-L188 HydrophobicContact CG-CB 4.35Å; T168-L188 PolarHBondContact N-O 3.38Å; L186-L188 HydrophobicContact CD2-CD2 3.94Å; L186-L188 HydrophobicContact CD2-CG 4.43Å; L186-L188 HydrophobicContact CG-CD2 4.24Å; L188-I225 HydrophobicContact CD2-CB 3.96Å; L188-I225 HydrophobicContact CD2-CD1 3.98Å; L188-I225 HydrophobicContact CD2-CG1 4.47Å; L188-I225 HydrophobicContact CD2-CG2 4.38Å
189A98.1Very high97.3Very high0 Ų029.9 Ų29.90%018%0.181CC..EExtended strand (participates in β ladder)trans-102.1124.1-166.100000111.5L170 L191 L214 I224 I225 I226 R227L170-A189 HydrophobicContact CD1-CB 3.77Å; A189-L191 PolarHBondContact O-N 2.86Å; A189-L214 HydrophobicContact CB-CD2 3.73Å; A189-I224 HydrophobicContact CB-CG2 3.95Å; A189-I225 PolarHBondContact N-O 3.35Å; A189-I226 HydrophobicContact CB-CD1 4.47Å; A189-I226 WeakPolarHBondContact O-CA 3.49Å; A189-R227 PolarHBondContact O-N 3.41Å
190D97.3Very high97.3Very high25 Ų2533.7 Ų33.713%0.13419%0.191CC..EExtended strand (participates in β ladder)trans-72.4124176.8-68-30.8000111.4T168 K192 R227T168-D190 PolarHBondContact O-N 3.05Å; D190-K192 HydrophobicContact CB-CG 4.3Å; D190-K192 VanDerWaalsContact CG-NZ 3.31Å; D190-K192 IonicContact OD2-NZ 3.57Å; D190-K192 PolarHBondContact OD2-NZ 3.44Å; D190-R227 CarbonylContact C-O 3.41Å; D190-R227 VanDerWaalsContact CA-O 3.3Å; D190-R227 WeakPolarHBondContact CA-O 3.37Å
191L97.4Very high97.2Very high0 Ų039.3 Ų39.30%022%0.217CC..  trans-112.590.1165.4-178.452.2000109A189 V194 L211 L214 I226 R227 I244 F247A189-L191 PolarHBondContact O-N 2.86Å; L191-V194 HydrophobicContact CD1-CG1 4.25Å; L191-L211 HydrophobicContact CD1-CD2 3.58Å; L191-L214 HydrophobicContact CB-CD1 4.49Å; L191-L214 HydrophobicContact CD1-CD1 4.03Å; L191-I226 HydrophobicContact CB-CG2 3.53Å; L191-I226 HydrophobicContact CD2-CG2 4.09Å; L191-I226 HydrophobicContact CG-CG2 4.43Å; L191-R227 PolarHBondContact N-O 3Å; L191-I244 HydrophobicContact CD2-CG2 3.82Å; L191-I244 HydrophobicContact CG-CG2 3.99Å; L191-F247 HydrophobicContact CD2-CD1 3.77Å
192K97.4Very high97.2Very high10 Ų1039.9 Ų39.94%0.04322%0.218CC..  trans-75.3-42.7-173.4-64177.3171.973.30112.2L36 C38 W40 D190 F199 T203 F234 N235L36-K192 HydrophobicContact CD1-CD 4.34Å; C38-K192 WeakPolarHBondContact SG-CE 3.44Å; W40-K192 HydrophobicContact CH2-CD 4.38Å; W40-K192 HydrophobicContact CZ2-CB 4.45Å; W40-K192 HydrophobicContact CZ2-CD 3.77Å; W40-K192 HydrophobicContact CZ2-CG 4.14Å; D190-K192 HydrophobicContact CB-CG 4.3Å; D190-K192 VanDerWaalsContact CG-NZ 3.31Å; D190-K192 IonicContact OD2-NZ 3.57Å; D190-K192 PolarHBondContact OD2-NZ 3.44Å; K192-F199 HydrophobicContact CB-CD2 4.29Å; K192-F199 HydrophobicContact CB-CE2 3.97Å; K192-T203 HydrophobicContact CD-CG2 4Å; K192-F234 HydrophobicContact CB-CE1 4Å; K192-F234 HydrophobicContact CB-CZ 4.04Å; K192-F234 VanDerWaalsContact O-CE1 3.25Å; K192-F234 WeakPolarHBondContact O-CE1 3.5Å; K192-N235 PolarHBondContact O-ND2 3.42Å
193H97.6Very high97.1Very high17 Ų1735.8 Ų35.88%0.07919%0.192CC..  trans-164.6149.5176.3-153.4-50.4000109.6A195 P198 F199 F234H193-A195 PolarHBondContact ND1-N 3.35Å; H193-P198 VanDerWaalsContact CD2-CG 3.48Å; H193-P198 WeakPolarHBondContact CD2-CG 3.47Å; H193-P198 VanDerWaalsContact CE1-CG 3.49Å; H193-P198 WeakPolarHBondContact CE1-CG 3.28Å; H193-P198 WeakPolarHBondContact NE2-CG 3.32Å; H193-F199 HydrophobicContact CB-CB 4.29Å; H193-F199 HydrophobicContact CB-CD2 4.13Å; H193-F234 HydrophobicContact CB-CE1 4.46Å; H193-F234 HydrophobicContact CB-CE2 3.96Å; H193-F234 HydrophobicContact CB-CZ 3.63Å; H193-F234 AromaticContact CD2-CE2 3.69Å
194V96.9Very high97Very high35 Ų3538.3 Ų38.321%0.21221%0.209CC..SBendtrans-89.4-11.6175-61.70000114.5L191 L211 A243 I244 F247L191-V194 HydrophobicContact CD1-CG1 4.25Å; V194-L211 HydrophobicContact CG1-CD2 4.27Å; V194-A243 HydrophobicContact CG2-CB 3.67Å; V194-I244 HydrophobicContact CG1-CG1 4.2Å; V194-F247 HydrophobicContact CG1-CB 3.8Å; V194-F247 HydrophobicContact CG1-CG 4.07Å
195A94.9Very high96.9Very high39 Ų3938.5 Ų38.532%0.32221%0.212SC..SBendtrans-104.3132.9-175.200000110.2H193 A197 P198 F199H193-A195 PolarHBondContact ND1-N 3.35Å; A195-A197 PolarHBondContact O-N 2.84Å; A195-P198 HydrophobicContact CB-CG 3.78Å; A195-P198 WeakPolarHBondContact O-CD 3.5Å; A195-F199 VanDerWaalsContact O-CB 3.24Å; A195-F199 WeakPolarHBondContact O-CB 3.45Å; A195-F199 PolarHBondContact O-N 3.25Å
196D94.3Very high96.8Very high84 Ų8439 Ų3945%0.44921%0.214SC..Hα-helixtrans-64.2-40.7-172.2-86.1-28.3000113.7K200 A207 A208D196-K200 VanDerWaalsContact O-CB 3.26Å; D196-K200 WeakPolarHBondContact O-CB 3.45Å; D196-K200 PolarHBondContact O-N 3.15Å; D196-A207 VanDerWaalsContact OD1-CB 3.27Å; D196-A207 WeakPolarHBondContact OD1-CB 3.29Å; D196-A207 PolarHBondContact OD1-N 3.23Å; D196-A208 PolarHBondContact OD1-N 3.38Å
197A96.5Very high96.7Very high76 Ų7638.9 Ų38.963%0.62821%0.213SC*.Hα-helixtrans-63.4-57.1-175.600000113.3A195 F199 K200 Q201A195-A197 PolarHBondContact O-N 2.84Å; A197-F199 VanDerWaalsContact C-N 3.32Å; A197-F199 PolarHBondContact O-N 2.73Å; A197-K200 PolarHBondContact O-N 2.98Å; A197-Q201 WeakPolarHBondContact O-CB 3.44Å; A197-Q201 PolarHBondContact O-N 3.02Å
198P95.9Very high96.7Very high32 Ų3241.1 Ų41.121%0.20823%0.232CC..Hα-helixtrans-63.7-38.7177.423.8-33000111.7H193 A195 K200 Q201 W202 F234H193-P198 VanDerWaalsContact CD2-CG 3.48Å; H193-P198 WeakPolarHBondContact CD2-CG 3.47Å; H193-P198 VanDerWaalsContact CE1-CG 3.49Å; H193-P198 WeakPolarHBondContact CE1-CG 3.28Å; H193-P198 WeakPolarHBondContact NE2-CG 3.32Å; A195-P198 HydrophobicContact CB-CG 3.78Å; A195-P198 WeakPolarHBondContact O-CD 3.5Å; P198-K200 PolarHBondContact O-N 3.32Å; P198-Q201 PolarHBondContact O-N 3.38Å; P198-W202 WeakPolarHBondContact O-CB 3.22Å; P198-W202 PolarHBondContact O-N 2.95Å; P198-W202 VanDerWaalsContact O-N 3.14Å; P198-F234 HydrophobicContact CB-CD2 4.29Å; P198-F234 HydrophobicContact CB-CE2 4.2Å; P198-F234 WeakPolarHBondContact O-CE2 3.25Å
199F97.6Very high96.7Very high3 Ų346 Ų461%0.01325%0.251CS..Hα-helixtrans-56.9-53.1176.7-169.1-79.8000111.2L36 K192 H193 A195 A197 Q201 W202 T203 A207 V210L36-F199 HydrophobicContact CD1-CZ 4.39Å; L36-F199 HydrophobicContact CD2-CE1 4.1Å; L36-F199 HydrophobicContact CD2-CZ 4.37Å; K192-F199 HydrophobicContact CB-CD2 4.29Å; K192-F199 HydrophobicContact CB-CE2 3.97Å; H193-F199 HydrophobicContact CB-CB 4.29Å; H193-F199 HydrophobicContact CB-CD2 4.13Å; A195-F199 VanDerWaalsContact O-CB 3.24Å; A195-F199 WeakPolarHBondContact O-CB 3.45Å; A195-F199 PolarHBondContact O-N 3.25Å; A197-F199 VanDerWaalsContact C-N 3.32Å; A197-F199 PolarHBondContact O-N 2.73Å; F199-Q201 VanDerWaalsContact C-N 3.35Å; F199-Q201 PolarHBondContact O-N 3.3Å; F199-W202 PolarHBondContact O-N 3.16Å; F199-T203 VanDerWaalsContact CD1-OG1 3.31Å; F199-T203 WeakPolarHBondContact CD1-OG1 3.25Å; F199-T203 WeakPolarHBondContact CE1-OG1 3.21Å; F199-T203 PolarHBondContact O-N 3.43Å; F199-T203 PolarHBondContact O-OG1 3.08Å; F199-A207 HydrophobicContact CB-CB 3.81Å; F199-A207 HydrophobicContact CD1-CB 4.11Å; F199-A207 HydrophobicContact CD2-CB 3.82Å; F199-A207 HydrophobicContact CE2-CB 4.43Å; F199-A207 HydrophobicContact CG-CB 3.65Å; F199-V210 HydrophobicContact CE2-CG2 4.36Å; F199-V210 HydrophobicContact CZ-CG2 3.76Å
200K97.4Very high96.7Very high146 Ų14646.1 Ų46.164%0.63525%0.251SS*.Hα-helixtrans-61.1-42.7180-176.5170.5179.9179.80112.2D196 A197 P198 W202 D204 G205D196-K200 VanDerWaalsContact O-CB 3.26Å; D196-K200 WeakPolarHBondContact O-CB 3.45Å; D196-K200 PolarHBondContact O-N 3.15Å; A197-K200 PolarHBondContact O-N 2.98Å; P198-K200 PolarHBondContact O-N 3.32Å; K200-W202 VanDerWaalsContact C-N 3.28Å; K200-W202 PolarHBondContact O-N 2.99Å; K200-D204 VanDerWaalsContact O-CA 3.29Å; K200-D204 WeakPolarHBondContact O-CA 3.45Å; K200-D204 PolarHBondContact O-N 3.38Å; K200-G205 WeakPolarHBondContact CA-O 3.36Å; K200-G205 WeakPolarHBondContact CB-O 3.43Å
201Q96.3Very high96.7Very high119 Ų11946.2 Ų46.256%0.55625%0.251SS*.Hα-helixtrans-61.4-35.8-179.1177.6-179.6-10.200113.2R39 A197 P198 F199R39-Q201 PolarHBondContact NE-O 3.15Å; R39-Q201 PolarHBondContact NH2-O 3.47Å; A197-Q201 WeakPolarHBondContact O-CB 3.44Å; A197-Q201 PolarHBondContact O-N 3.02Å; P198-Q201 PolarHBondContact O-N 3.38Å; F199-Q201 VanDerWaalsContact C-N 3.35Å; F199-Q201 PolarHBondContact O-N 3.3Å
202W97.1Very high96.8Very high33 Ų3349.5 Ų49.513%0.12527%0.269CS..Hα-helixtrans-102.3-18-171.8-82.785000114.6C38 R39 W40 P198 F199 K200 I231 G233 F234C38-W202 WeakPolarHBondContact CA-O 3.31Å; R39-W202 HydrophobicContact CB-CE3 4.03Å; R39-W202 HydrophobicContact CB-CZ3 4.39Å; R39-W202 HydrophobicContact CG-CE3 4.13Å; R39-W202 WeakPolarHBondContact CG-O 3.46Å; R39-W202 PolarHBondContact N-O 3.34Å; W40-W202 AromaticContact CE3-CE3 3.7Å; W40-W202 HydrophobicContact CE3-CE3 3.7Å; W40-W202 HydrophobicContact CE3-CZ3 4.19Å; W40-W202 HydrophobicContact CH2-CB 4.36Å; W40-W202 HydrophobicContact CZ3-CB 3.81Å; W40-W202 HydrophobicContact CZ3-CD2 4.18Å; W40-W202 AromaticContact CZ3-CE3 3.57Å; W40-W202 HydrophobicContact CZ3-CE3 3.57Å; W40-W202 HydrophobicContact CZ3-CG 4.34Å; W40-W202 HydrophobicContact CZ3-CZ3 4.41Å; P198-W202 WeakPolarHBondContact O-CB 3.22Å; P198-W202 PolarHBondContact O-N 2.95Å; P198-W202 VanDerWaalsContact O-N 3.14Å; F199-W202 PolarHBondContact O-N 3.16Å; K200-W202 VanDerWaalsContact C-N 3.28Å; K200-W202 PolarHBondContact O-N 2.99Å; W202-I231 HydrophobicContact CH2-CG2 4.35Å; W202-I231 HydrophobicContact CZ3-CG2 3.89Å; W202-G233 WeakPolarHBondContact CZ2-O 3.2Å; W202-F234 HydrophobicContact CB-CD2 3.7Å; W202-F234 HydrophobicContact CB-CE2 3.82Å; W202-F234 HydrophobicContact CB-CG 4.3Å; W202-F234 AromaticContact CD1-CD2 3.54Å; W202-F234 HydrophobicContact CD2-CB 3.78Å; W202-F234 HydrophobicContact CD2-CD2 4.05Å; W202-F234 HydrophobicContact CD2-CG 4.06Å; W202-F234 HydrophobicContact CE3-CB 4.11Å; W202-F234 HydrophobicContact CE3-CG 4.49Å; W202-F234 HydrophobicContact CG-CB 4.17Å; W202-F234 AromaticContact CG-CD2 3.5Å; W202-F234 HydrophobicContact CG-CD2 3.5Å; W202-F234 HydrophobicContact CG-CE2 4.13Å; W202-F234 AromaticContact CG-CG 3.99Å; W202-F234 HydrophobicContact CG-CG 3.99Å; W202-F234 HydrophobicContact CH2-CB 4.26Å; W202-F234 HydrophobicContact CZ2-CB 3.98Å; W202-F234 HydrophobicContact CZ3-CB 4.33Å
203T96.6Very high96.8Very high0 Ų049.1 Ų49.10%027%0.267CS..Hα-helixtrans-126.4-0.7-177.681.70000114.1L36 G37 C38 W40 K192 F199 G205L36-T203 WeakPolarHBondContact CA-O 3.45Å; G37-T203 PolarHBondContact N-O 3.14Å; C38-T203 HydrophobicContact CB-CG2 4.49Å; W40-T203 HydrophobicContact CH2-CG2 3.76Å; W40-T203 HydrophobicContact CZ2-CG2 4.39Å; W40-T203 HydrophobicContact CZ3-CG2 4.5Å; K192-T203 HydrophobicContact CD-CG2 4Å; F199-T203 VanDerWaalsContact CD1-OG1 3.31Å; F199-T203 WeakPolarHBondContact CD1-OG1 3.25Å; F199-T203 WeakPolarHBondContact CE1-OG1 3.21Å; F199-T203 PolarHBondContact O-N 3.43Å; F199-T203 PolarHBondContact O-OG1 3.08Å; T203-G205 PolarHBondContact O-N 3.27Å; T203-G205 PolarHBondContact OG1-N 3.41Å
204D95.4Very high96.8Very high117 Ų11748.3 Ų48.363%0.62626%0.264SS*.SBendtrans55.818.3-172.1-55.8-49.1000114K200K200-D204 VanDerWaalsContact O-CA 3.29Å; K200-D204 WeakPolarHBondContact O-CA 3.45Å; K200-D204 PolarHBondContact O-N 3.38Å
205G95.9Very high96.9Very high5 Ų550.7 Ų50.75%0.05227%0.271CS..SBendtrans-109.9-167.9-172.400000113.7K200 T203K200-G205 WeakPolarHBondContact CA-O 3.36Å; K200-G205 WeakPolarHBondContact CB-O 3.43Å; T203-G205 PolarHBondContact O-N 3.27Å; T203-G205 PolarHBondContact OG1-N 3.41Å
206N95.6Very high97.1Very high72 Ų7252.3 Ų52.339%0.38527%0.271SS..  trans-127.3119.8177.4176.7-69.7000109.5H171 A208 R209H171-N206 PolarHBondContact CD2-O 2.82Å; H171-N206 PolarHBondContact NE2-N 3.27Å; N206-A208 WeakPolarHBondContact OD1-CA 3.34Å; N206-A208 VanDerWaalsContact OD1-CB 3.31Å; N206-A208 WeakPolarHBondContact OD1-CB 3.42Å; N206-A208 PolarHBondContact OD1-N 3.14Å; N206-R209 PolarHBondContact OD1-N 3.3Å
207A96.9Very high97.2Very high0 Ų048.3 Ų48.30%025%0.25CC..Hα-helixtrans-67.7-42.7-177.100000110.5D196 F199 R209 V210 L211D196-A207 VanDerWaalsContact OD1-CB 3.27Å; D196-A207 WeakPolarHBondContact OD1-CB 3.29Å; D196-A207 PolarHBondContact OD1-N 3.23Å; F199-A207 HydrophobicContact CB-CB 3.81Å; F199-A207 HydrophobicContact CD1-CB 4.11Å; F199-A207 HydrophobicContact CD2-CB 3.82Å; F199-A207 HydrophobicContact CE2-CB 4.43Å; F199-A207 HydrophobicContact CG-CB 3.65Å; A207-R209 PolarHBondContact O-N 2.78Å; A207-R209 VanDerWaalsContact O-N 3.08Å; A207-V210 WeakPolarHBondContact O-CA 3.38Å; A207-V210 WeakPolarHBondContact O-CB 3.35Å; A207-V210 PolarHBondContact O-N 3.5Å; A207-L211 WeakPolarHBondContact O-CG 3.25Å; A207-L211 PolarHBondContact O-N 3.04Å
208A97.3Very high97.2Very high48 Ų4846 Ų4640%0.39723%0.23SC..Hα-helixtrans-51.3-37.5-179.600000113.9D196 N206 D212D196-A208 PolarHBondContact OD1-N 3.38Å; N206-A208 WeakPolarHBondContact OD1-CA 3.34Å; N206-A208 VanDerWaalsContact OD1-CB 3.31Å; N206-A208 WeakPolarHBondContact OD1-CB 3.42Å; N206-A208 PolarHBondContact OD1-N 3.14Å; A208-D212 WeakPolarHBondContact O-CB 3.39Å; A208-D212 PolarHBondContact O-N 3.12Å
209R97.5Very high97.2Very high106 Ų10648.9 Ų48.940%0.426%0.257SS..Hα-helixtrans-63.9-45.4174-179.8179.9-65-177.21.3112.7N206 A207 N213N206-R209 PolarHBondContact OD1-N 3.3Å; A207-R209 PolarHBondContact O-N 2.78Å; A207-R209 VanDerWaalsContact O-N 3.08Å; R209-N213 WeakPolarHBondContact O-CB 3.2Å; R209-N213 PolarHBondContact O-N 2.93Å
210V98.1Very high97.1Very high2 Ų251.2 Ų51.21%0.01228%0.277CS..Hα-helixtrans-64.3-46.5179.9177.40000109.9C169 L170 H171 F199 A207 D212 N213 L214C169-V210 WeakPolarHBondContact O-CG2 3.18Å; L170-V210 HydrophobicContact CB-CG1 4.31Å; H171-V210 HydrophobicContact CB-CG2 3.9Å; F199-V210 HydrophobicContact CE2-CG2 4.36Å; F199-V210 HydrophobicContact CZ-CG2 3.76Å; A207-V210 WeakPolarHBondContact O-CA 3.38Å; A207-V210 WeakPolarHBondContact O-CB 3.35Å; A207-V210 PolarHBondContact O-N 3.5Å; V210-D212 PolarHBondContact O-N 3.09Å; V210-N213 PolarHBondContact O-N 3.36Å; V210-L214 HydrophobicContact CG1-CD1 4.06Å; V210-L214 WeakPolarHBondContact O-CB 3.44Å; V210-L214 WeakPolarHBondContact O-CG 3.42Å; V210-L214 PolarHBondContact O-N 2.92Å
211L98.3Very high96.9Very high26 Ų2647.4 Ų47.414%0.13628%0.279CS..Hα-helixtrans-62.6-42.9179-58.8179.7000112L191 V194 A207 L214 K215 F247L191-L211 HydrophobicContact CD1-CD2 3.58Å; V194-L211 HydrophobicContact CG1-CD2 4.27Å; A207-L211 WeakPolarHBondContact O-CG 3.25Å; A207-L211 PolarHBondContact O-N 3.04Å; L211-L214 PolarHBondContact O-N 3.18Å; L211-K215 WeakPolarHBondContact O-CG 3.43Å; L211-K215 PolarHBondContact O-N 3.25Å; L211-F247 HydrophobicContact CB-CE1 4.45Å; L211-F247 HydrophobicContact CB-CE2 4.19Å; L211-F247 HydrophobicContact CB-CZ 3.72Å; L211-F247 HydrophobicContact CD1-CE2 4.39Å; L211-F247 HydrophobicContact CD2-CD1 4.03Å; L211-F247 HydrophobicContact CD2-CD2 4.42Å; L211-F247 HydrophobicContact CD2-CE1 3.56Å; L211-F247 HydrophobicContact CD2-CE2 4Å; L211-F247 HydrophobicContact CD2-CG 4.44Å; L211-F247 HydrophobicContact CD2-CZ 3.57Å; L211-F247 HydrophobicContact CG-CE2 4.4Å; L211-F247 HydrophobicContact CG-CZ 4.11Å
212D98.3Very high96.9Very high70 Ų7044.3 Ų44.337%0.37426%0.264SS..Hα-helixtrans-64.2-41.6176.5171.565.1000112.3A208 V210 K215 K216A208-D212 WeakPolarHBondContact O-CB 3.39Å; A208-D212 PolarHBondContact O-N 3.12Å; V210-D212 PolarHBondContact O-N 3.09Å; D212-K215 PolarHBondContact O-N 3.34Å; D212-K216 WeakPolarHBondContact O-CG 3.4Å; D212-K216 PolarHBondContact O-N 3.32Å; D212-K216 VanDerWaalsContact OD1-CE 3.29Å; D212-K216 WeakPolarHBondContact OD1-CE 3.39Å; D212-K216 IonicContact OD1-NZ 2.65Å; D212-K216 PolarHBondContact OD1-NZ 2.67Å; D212-K216 IonicContact OD2-NZ 3.34Å; D212-K216 PolarHBondContact OD2-NZ 3.33Å
213N98.5Very high96.8Very high1 Ų149 Ų491%0.00529%0.285CS..Hα-helixtrans-66.2-40.7174.3-77.4-23.9000112.1L170 V172 I177 R209 V210 K215 K216 L217L170-N213 HydrophobicContact CB-CB 4.17Å; L170-N213 PolarHBondContact O-ND2 2.8Å; V172-N213 PolarHBondContact O-ND2 3.07Å; I177-N213 HydrophobicContact CD1-CB 4.17Å; R209-N213 WeakPolarHBondContact O-CB 3.2Å; R209-N213 PolarHBondContact O-N 2.93Å; V210-N213 PolarHBondContact O-N 3.36Å; N213-K215 PolarHBondContact O-N 2.94Å; N213-K216 PolarHBondContact O-N 3.14Å; N213-L217 WeakPolarHBondContact O-CG 3.34Å; N213-L217 PolarHBondContact O-N 3.49Å
214L98.4Very high96.8Very high0 Ų049.5 Ų49.50%029%0.288CS..Hα-helixtrans-58.4-46.9174.1-79.5168.2000111.4L170 A189 L191 V210 L211 K216 L217 A218 I224 I226 F247 L252L170-L214 HydrophobicContact CD1-CD2 3.43Å; L170-L214 VanDerWaalsContact CD1-CD2 3.43Å; L170-L214 HydrophobicContact CD1-CG 3.66Å; A189-L214 HydrophobicContact CB-CD2 3.73Å; L191-L214 HydrophobicContact CB-CD1 4.49Å; L191-L214 HydrophobicContact CD1-CD1 4.03Å; V210-L214 HydrophobicContact CG1-CD1 4.06Å; V210-L214 WeakPolarHBondContact O-CB 3.44Å; V210-L214 WeakPolarHBondContact O-CG 3.42Å; V210-L214 PolarHBondContact O-N 2.92Å; L211-L214 PolarHBondContact O-N 3.18Å; L214-K216 VanDerWaalsContact C-N 3.31Å; L214-K216 PolarHBondContact O-N 3.16Å; L214-L217 PolarHBondContact O-N 3.38Å; L214-A218 PolarHBondContact O-N 2.95Å; L214-I224 HydrophobicContact CD2-CG2 4.46Å; L214-I226 HydrophobicContact CD2-CD1 3.72Å; L214-F247 HydrophobicContact CB-CE1 4.43Å; L214-F247 HydrophobicContact CD1-CE1 4.18Å; L214-L252 HydrophobicContact CB-CD1 3.92Å; L214-L252 HydrophobicContact CB-CD2 3.83Å; L214-L252 HydrophobicContact CD1-CD1 4.24Å; L214-L252 HydrophobicContact CD2-CD1 4.14Å; L214-L252 HydrophobicContact CG-CD1 4.34Å
215K98.3Very high96.9Very high86 Ų8644.6 Ų44.637%0.37426%0.261SS..Hα-helixtrans-59.1-41.2176.1-74.3179.7174.7-161.30112.2L211 D212 N213 A218 A219 F247 E251 L252L211-K215 WeakPolarHBondContact O-CG 3.43Å; L211-K215 PolarHBondContact O-N 3.25Å; D212-K215 PolarHBondContact O-N 3.34Å; N213-K215 PolarHBondContact O-N 2.94Å; K215-A218 PolarHBondContact O-N 3.44Å; K215-A219 WeakPolarHBondContact O-CB 3.5Å; K215-A219 PolarHBondContact O-N 2.82Å; K215-F247 HydrophobicContact CG-CZ 4.22Å; K215-E251 WeakPolarHBondContact CE-OE2 3.3Å; K215-E251 IonicContact NZ-OE2 3.44Å; K215-E251 PolarHBondContact NZ-OE2 2.72Å; K215-L252 HydrophobicContact CG-CD2 3.95Å
216K98.3Very high96.9Very high73 Ų7344.4 Ų44.432%0.31726%0.259SS..Hα-helixtrans-67.3-36.8176.6-73.1168.6-178.7155.30112.9W174 D212 N213 L214 A220W174-K216 HydrophobicContact CD2-CB 4.22Å; W174-K216 HydrophobicContact CD2-CD 3.77Å; W174-K216 HydrophobicContact CE3-CB 3.92Å; W174-K216 HydrophobicContact CE3-CD 3.99Å; W174-K216 HydrophobicContact CG-CD 4Å; W174-K216 HydrophobicContact CH2-CB 3.52Å; W174-K216 HydrophobicContact CZ2-CB 3.84Å; W174-K216 HydrophobicContact CZ3-CB 3.56Å; W174-K216 HydrophobicContact CZ3-CD 4.5Å; D212-K216 WeakPolarHBondContact O-CG 3.4Å; D212-K216 PolarHBondContact O-N 3.32Å; D212-K216 VanDerWaalsContact OD1-CE 3.29Å; D212-K216 WeakPolarHBondContact OD1-CE 3.39Å; D212-K216 IonicContact OD1-NZ 2.65Å; D212-K216 PolarHBondContact OD1-NZ 2.67Å; D212-K216 IonicContact OD2-NZ 3.34Å; D212-K216 PolarHBondContact OD2-NZ 3.33Å; N213-K216 PolarHBondContact O-N 3.14Å; L214-K216 VanDerWaalsContact C-N 3.31Å; L214-K216 PolarHBondContact O-N 3.16Å; K216-A220 WeakPolarHBondContact O-CB 3.48Å; K216-A220 PolarHBondContact O-N 3.27Å
217L98Very high97Very high0 Ų042.8 Ų42.80%025%0.248CC..Hα-helixtrans-64.4-45.2173.2-70179.3000111.6L170 W174 I177 L181 F187 N213 L214 A220 G221 K222 I224L170-L217 HydrophobicContact CD1-CD1 3.72Å; L170-L217 HydrophobicContact CD2-CD1 3.78Å; L170-L217 HydrophobicContact CG-CD1 4.43Å; W174-L217 HydrophobicContact CH2-CD2 3.94Å; W174-L217 HydrophobicContact CH2-CG 4.43Å; W174-L217 HydrophobicContact CZ3-CD2 3.91Å; W174-L217 HydrophobicContact CZ3-CG 4.12Å; I177-L217 HydrophobicContact CG2-CD2 4.13Å; L181-L217 HydrophobicContact CD2-CD2 3.49Å; L181-L217 VanDerWaalsContact CD2-CD2 3.49Å; F187-L217 HydrophobicContact CD1-CD1 3.75Å; F187-L217 HydrophobicContact CD1-CD2 4.48Å; F187-L217 HydrophobicContact CD2-CD1 4.29Å; F187-L217 HydrophobicContact CD2-CD2 4.25Å; F187-L217 HydrophobicContact CE1-CD1 3.9Å; F187-L217 HydrophobicContact CE1-CD2 3.92Å; F187-L217 HydrophobicContact CE2-CD1 4.43Å; F187-L217 HydrophobicContact CE2-CD2 3.67Å; F187-L217 HydrophobicContact CG-CD1 3.94Å; F187-L217 HydrophobicContact CZ-CD1 4.24Å; F187-L217 HydrophobicContact CZ-CD2 3.47Å; F187-L217 VanDerWaalsContact CZ-CD2 3.47Å; N213-L217 WeakPolarHBondContact O-CG 3.34Å; N213-L217 PolarHBondContact O-N 3.49Å; L214-L217 PolarHBondContact O-N 3.38Å; L217-A220 PolarHBondContact O-N 3.38Å; L217-G221 PolarHBondContact O-N 3.04Å; L217-K222 PolarHBondContact O-N 3.47Å; L217-I224 HydrophobicContact CB-CD1 3.63Å; L217-I224 HydrophobicContact CB-CG1 4.32Å
218A95Very high97Very high27 Ų2742.8 Ų42.822%0.22325%0.248CC..Hα-helixtrans-61.4-46.9176.900000111.1L214 K215 A220 G221 I224 L252L214-A218 PolarHBondContact O-N 2.95Å; K215-A218 PolarHBondContact O-N 3.44Å; A218-A220 PolarHBondContact O-N 3.47Å; A218-G221 PolarHBondContact O-N 2.75Å; A218-I224 HydrophobicContact CB-CD1 4.22Å; A218-L252 HydrophobicContact CB-CB 4.28Å; A218-L252 HydrophobicContact CB-CD2 4.25Å
219A95.7Very high97Very high93 Ų9341.6 Ų41.677%0.76924%0.235SC*.Hα-helixtrans-62.7-28176.200000113.5K215 G221K215-A219 WeakPolarHBondContact O-CB 3.5Å; K215-A219 PolarHBondContact O-N 2.82Å; A219-G221 PolarHBondContact O-N 3.05Å
220A95.8Very high97Very high51 Ų5136.5 Ų36.542%0.42122%0.216SC..THydrogen-bonded Turntrans-78.32.1173.600000113.5L181 K216 L217 A218 K222L181-A220 HydrophobicContact CD1-CB 4.41Å; K216-A220 WeakPolarHBondContact O-CB 3.48Å; K216-A220 PolarHBondContact O-N 3.27Å; L217-A220 PolarHBondContact O-N 3.38Å; A218-A220 PolarHBondContact O-N 3.47Å; A220-K222 VanDerWaalsContact C-N 3.28Å; A220-K222 HydrophobicContact CB-CG 4.29Å; A220-K222 PolarHBondContact O-N 2.85Å
221G93.6Very high96.9Very high67 Ų6736.5 Ų36.569%0.69122%0.216SC*.THydrogen-bonded Turntrans69.323.4179.300000113.6L217 A218 A219L217-G221 PolarHBondContact O-N 3.04Å; A218-G221 PolarHBondContact O-N 2.75Å; A219-G221 PolarHBondContact O-N 3.05Å
222K95.5Very high96.8Very high53 Ų5340.6 Ų40.623%0.2324%0.235CC..  trans-78.1143.4179.3-67.8-55.3-168171.20111.5L181 I184 F187 L217 A220 I224L181-K222 HydrophobicContact CD2-CG 4.12Å; L181-K222 WeakPolarHBondContact O-CE 3.19Å; L181-K222 PolarHBondContact O-NZ 3.28Å; I184-K222 PolarHBondContact O-NZ 3.23Å; F187-K222 HydrophobicContact CD2-CB 4.01Å; F187-K222 HydrophobicContact CD2-CG 4.47Å; F187-K222 HydrophobicContact CE2-CB 4.04Å; F187-K222 HydrophobicContact CE2-CG 3.98Å; L217-K222 PolarHBondContact O-N 3.47Å; A220-K222 VanDerWaalsContact C-N 3.28Å; A220-K222 HydrophobicContact CB-CG 4.29Å; A220-K222 PolarHBondContact O-N 2.85Å; K222-I224 PolarHBondContact O-N 3.2Å
223K95.8Very high96.5Very high133 Ų13340.3 Ų40.358%0.57825%0.249SC*.EExtended strand (participates in β ladder)trans-72.6123171.4-169.2175.2179.6-179.90108.8L186 F187L186-K223 HydrophobicContact CD1-CB 4.29Å; L186-K223 HydrophobicContact CD1-CD 4.11Å; L186-K223 HydrophobicContact CD1-CG 3.87Å; F187-K223 PolarHBondContact N-O 3.28Å
224I97.5Very high96.4Very high10 Ų1040.7 Ų40.75%0.05125%0.25CS..EExtended strand (participates in β ladder)trans-126.4130.2-178-54.8163.3000107.6F187 A189 L214 L217 A218 K222 I226 V254F187-I224 HydrophobicContact CB-CG1 4.27Å; F187-I224 HydrophobicContact CB-CG2 4.45Å; A189-I224 HydrophobicContact CB-CG2 3.95Å; L214-I224 HydrophobicContact CD2-CG2 4.46Å; L217-I224 HydrophobicContact CB-CD1 3.63Å; L217-I224 HydrophobicContact CB-CG1 4.32Å; A218-I224 HydrophobicContact CB-CD1 4.22Å; K222-I224 PolarHBondContact O-N 3.2Å; I224-I226 HydrophobicContact CG2-CD1 3.71Å; I224-I226 HydrophobicContact CG2-CG1 4.28Å; I224-V254 HydrophobicContact CB-CG1 3.85Å; I224-V254 HydrophobicContact CD1-CG1 4.45Å; I224-V254 HydrophobicContact CG2-CG1 4.19Å
225I96.4Very high96.4Very high14 Ų1440.7 Ų40.77%0.07225%0.25CS..EExtended strand (participates in β ladder)trans-107.2119.7161.9-64.5170.8000106.1L186 F187 L188 A189 E256L186-I225 HydrophobicContact CD1-CD1 3.93Å; L186-I225 HydrophobicContact CD1-CG1 3.95Å; L186-I225 HydrophobicContact CD2-CD1 4.17Å; F187-I225 PolarHBondContact O-N 2.95Å; L188-I225 HydrophobicContact CD2-CB 3.96Å; L188-I225 HydrophobicContact CD2-CD1 3.98Å; L188-I225 HydrophobicContact CD2-CG1 4.47Å; L188-I225 HydrophobicContact CD2-CG2 4.38Å; A189-I225 PolarHBondContact N-O 3.35Å; I225-E256 HydrophobicContact CG1-CB 4.15Å; I225-E256 HydrophobicContact CG1-CG 4.19Å; I225-E256 HydrophobicContact CG2-CG 4.14Å
226I97.3Very high96.3Very high0 Ų037.2 Ų37.20%024%0.238CC..EExtended strand (participates in β ladder)trans-78.6128.5177.2-64-63.2000108.9A189 L191 L214 I224 V228 A248 L252 V254 E256 I257 H258A189-I226 HydrophobicContact CB-CD1 4.47Å; A189-I226 WeakPolarHBondContact O-CA 3.49Å; L191-I226 HydrophobicContact CB-CG2 3.53Å; L191-I226 HydrophobicContact CD2-CG2 4.09Å; L191-I226 HydrophobicContact CG-CG2 4.43Å; L214-I226 HydrophobicContact CD2-CD1 3.72Å; I224-I226 HydrophobicContact CG2-CD1 3.71Å; I224-I226 HydrophobicContact CG2-CG1 4.28Å; I226-V228 HydrophobicContact CG2-CG2 3.86Å; I226-A248 HydrophobicContact CG1-CB 4.16Å; I226-L252 HydrophobicContact CD1-CD1 3.72Å; I226-L252 HydrophobicContact CG1-CD1 4.33Å; I226-V254 HydrophobicContact CG1-CB 4.44Å; I226-V254 HydrophobicContact CG1-CG1 4.29Å; I226-V254 HydrophobicContact CG1-CG2 3.66Å; I226-E256 PolarHBondContact N-O 3.08Å; I226-I257 HydrophobicContact CB-CB 4.37Å; I226-I257 HydrophobicContact CB-CD1 4.39Å; I226-I257 HydrophobicContact CB-CG1 4.03Å; I226-I257 HydrophobicContact CG2-CD1 4Å; I226-I257 HydrophobicContact CG2-CG1 3.97Å; I226-I257 CarbonylContact O-C 3.56Å; I226-I257 WeakPolarHBondContact O-CA 3.48Å; I226-H258 PolarHBondContact O-N 3.23Å
227R97.2Very high96.2Very high39 Ų3936.7 Ų36.715%0.14724%0.238CC..EExtended strand (participates in β ladder)trans-111.7127.1176.4-72.3-177.552.1119.9-13.3110.2E167 A189 D190 L191 H258 L260E167-R227 IonicContact OE1-CZ 2.7Å; E167-R227 IonicContact OE1-NE 3.76Å; E167-R227 IonicContact OE1-NH2 2.71Å; E167-R227 PolarHBondContact OE1-NH2 3.12Å; E167-R227 VanDerWaalsContact OE1-NH2 3.15Å; A189-R227 PolarHBondContact O-N 3.41Å; D190-R227 CarbonylContact C-O 3.41Å; D190-R227 VanDerWaalsContact CA-O 3.3Å; D190-R227 WeakPolarHBondContact CA-O 3.37Å; L191-R227 PolarHBondContact N-O 3Å; R227-H258 HydrophobicContact CG-CB 4.37Å; R227-L260 HydrophobicContact CB-CD1 4.03Å; R227-L260 HydrophobicContact CG-CD1 4.32Å; R227-L260 VanDerWaalsContact CZ-CD1 3.41Å
228V97.4Very high96.1Very high0 Ų042.1 Ų42.10%026%0.264CS..EExtended strand (participates in β ladder)trans-125.494-175-171.50000109.1I226 L230 I244 I257 H258 F259 L260I226-V228 HydrophobicContact CG2-CG2 3.86Å; V228-L230 HydrophobicContact CG1-CD2 4.06Å; V228-L230 PolarHBondContact O-N 2.93Å; V228-I244 HydrophobicContact CG1-CD1 3.93Å; V228-I244 HydrophobicContact CG1-CG2 4.23Å; V228-I244 HydrophobicContact CG2-CG2 3.64Å; V228-I257 HydrophobicContact CG2-CD1 3.93Å; V228-I257 HydrophobicContact CG2-CG1 4.05Å; V228-H258 PolarHBondContact N-O 3.33Å; V228-F259 HydrophobicContact CB-CD1 3.88Å; V228-F259 HydrophobicContact CB-CE1 4.18Å; V228-F259 HydrophobicContact CG1-CD1 4.1Å; V228-F259 HydrophobicContact CG1-CE1 4.24Å; V228-F259 HydrophobicContact CG2-CD1 4.35Å; V228-F259 HydrophobicContact CG2-CE1 4.22Å; V228-L260 PolarHBondContact O-N 3.4Å
229P96Very high96.2Very high22 Ų2246.1 Ų46.114%0.14329%0.286CS..EExtended strand (participates in β ladder)trans-60.5118.5166-19.231.9000109.3I231 N235 L260P229-I231 HydrophobicContact CB-CD1 4Å; P229-I231 HydrophobicContact CB-CG1 4.48Å; P229-N235 PolarHBondContact O-ND2 3.46Å; P229-N235 PolarHBondContact O-OD1 2.93Å; P229-L260 WeakPolarHBondContact CA-O 3.38Å
230L97.7Very high96.3Very high0 Ų042.2 Ų42.20%025%0.252CS..EExtended strand (participates in β ladder)trans-91.3108.7178.7-69.5178.6000109.9V228 N235 A236 V241 F259 L260 Y262 L284 L290V228-L230 HydrophobicContact CG1-CD2 4.06Å; V228-L230 PolarHBondContact O-N 2.93Å; L230-N235 WeakPolarHBondContact CA-OD1 3.39Å; L230-A236 HydrophobicContact CB-CB 4.23Å; L230-V241 HydrophobicContact CD2-CG2 3.91Å; L230-F259 HydrophobicContact CD1-CB 3.9Å; L230-F259 HydrophobicContact CD1-CD1 4.16Å; L230-F259 HydrophobicContact CD1-CG 4.38Å; L230-F259 HydrophobicContact CD2-CD1 4.03Å; L230-F259 HydrophobicContact CG-CB 4.4Å; L230-F259 HydrophobicContact CG-CD1 4.22Å; L230-L260 PolarHBondContact N-O 3.42Å; L230-Y262 WeakPolarHBondContact O-CB 3.31Å; L230-Y262 PolarHBondContact O-N 3.45Å; L230-L284 HydrophobicContact CB-CD2 3.52Å; L230-L284 HydrophobicContact CD1-CD2 4.26Å; L230-L290 HydrophobicContact CD1-CD2 3.63Å
231I96.7Very high96.3Very high1 Ų139.8 Ų39.81%0.00523%0.232CC..  trans-114.9125.6-173.7-43.2-58.5000110W40 W202 P229 G233 F234 N235 A236 Y262 P280W40-I231 HydrophobicContact CB-CD1 4.11Å; W40-I231 HydrophobicContact CD2-CD1 3.84Å; W40-I231 HydrophobicContact CD2-CG1 3.58Å; W40-I231 HydrophobicContact CD2-CG2 4.39Å; W40-I231 HydrophobicContact CE3-CB 4.37Å; W40-I231 HydrophobicContact CE3-CD1 4.49Å; W40-I231 HydrophobicContact CE3-CG1 3.82Å; W40-I231 HydrophobicContact CE3-CG2 4.03Å; W40-I231 HydrophobicContact CG-CD1 3.58Å; W40-I231 HydrophobicContact CG-CG1 3.9Å; W40-I231 HydrophobicContact CH2-CG1 4.4Å; W40-I231 HydrophobicContact CZ2-CG1 4.17Å; W40-I231 HydrophobicContact CZ3-CG1 4.17Å; W202-I231 HydrophobicContact CH2-CG2 4.35Å; W202-I231 HydrophobicContact CZ3-CG2 3.89Å; P229-I231 HydrophobicContact CB-CD1 4Å; P229-I231 HydrophobicContact CB-CG1 4.48Å; I231-G233 PolarHBondContact O-N 3.2Å; I231-F234 HydrophobicContact CB-CB 4.06Å; I231-F234 HydrophobicContact CB-CD1 4.12Å; I231-F234 HydrophobicContact CG1-CD1 4.17Å; I231-F234 HydrophobicContact CG2-CB 4.37Å; I231-F234 PolarHBondContact O-N 3.18Å; I231-F234 VanDerWaalsContact O-N 3.11Å; I231-N235 PolarHBondContact N-OD1 2.91Å; I231-N235 PolarHBondContact O-N 3.01Å; I231-A236 WeakPolarHBondContact O-CB 3.31Å; I231-A236 PolarHBondContact O-N 3.38Å; I231-A236 VanDerWaalsContact O-N 3.13Å; I231-Y262 HydrophobicContact CD1-CD2 3.73Å; I231-Y262 HydrophobicContact CD1-CG 4Å; I231-P280 HydrophobicContact CG2-CG 4.02Å
232Q94.7Very high96.3Very high112 Ų11241.2 Ų41.252%0.52322%0.22SC..THydrogen-bonded Turntrans-55.4128.9176.1-16983.339.400110.9F234 P280Q232-F234 VanDerWaalsContact C-N 3.28Å; Q232-F234 PolarHBondContact O-N 3.01Å; Q232-P280 HydrophobicContact CB-CB 4.34Å; Q232-P280 HydrophobicContact CB-CG 3.83Å
233G93.1Very high96.4Very high65 Ų6540.4 Ų40.467%0.6722%0.223SC*.THydrogen-bonded Turntrans79.14179.400000115.2W202 I231W202-G233 WeakPolarHBondContact CZ2-O 3.2Å; I231-G233 PolarHBondContact O-N 3.2Å
234F96.3Very high96.4Very high8 Ų834 Ų344%0.03520%0.195CC..THydrogen-bonded Turntrans-121-62.4177.1170.6-121.8000112.5W40 K192 H193 P198 W202 I231 Q232W40-F234 AromaticContact CH2-CD1 3.48Å; W40-F234 HydrophobicContact CH2-CD1 3.48Å; W40-F234 VanDerWaalsContact CH2-CD1 3.48Å; W40-F234 AromaticContact CH2-CE1 3.2Å; W40-F234 HydrophobicContact CH2-CE1 3.2Å; W40-F234 HydrophobicContact CH2-CE2 4.45Å; W40-F234 HydrophobicContact CH2-CG 4.23Å; W40-F234 AromaticContact CH2-CZ 3.73Å; W40-F234 HydrophobicContact CH2-CZ 3.73Å; W40-F234 HydrophobicContact CZ2-CD1 4.28Å; W40-F234 AromaticContact CZ2-CE1 3.91Å; W40-F234 HydrophobicContact CZ2-CE1 3.91Å; W40-F234 AromaticContact CZ3-CD1 3.66Å; W40-F234 HydrophobicContact CZ3-CD1 3.66Å; W40-F234 AromaticContact CZ3-CE1 3.87Å; W40-F234 HydrophobicContact CZ3-CE1 3.87Å; W40-F234 HydrophobicContact CZ3-CG 4.05Å; W40-F234 HydrophobicContact CZ3-CZ 4.39Å; K192-F234 HydrophobicContact CB-CE1 4Å; K192-F234 HydrophobicContact CB-CZ 4.04Å; K192-F234 VanDerWaalsContact O-CE1 3.25Å; K192-F234 WeakPolarHBondContact O-CE1 3.5Å; H193-F234 HydrophobicContact CB-CE1 4.46Å; H193-F234 HydrophobicContact CB-CE2 3.96Å; H193-F234 HydrophobicContact CB-CZ 3.63Å; H193-F234 AromaticContact CD2-CE2 3.69Å; P198-F234 HydrophobicContact CB-CD2 4.29Å; P198-F234 HydrophobicContact CB-CE2 4.2Å; P198-F234 WeakPolarHBondContact O-CE2 3.25Å; W202-F234 HydrophobicContact CB-CD2 3.7Å; W202-F234 HydrophobicContact CB-CE2 3.82Å; W202-F234 HydrophobicContact CB-CG 4.3Å; W202-F234 AromaticContact CD1-CD2 3.54Å; W202-F234 HydrophobicContact CD2-CB 3.78Å; W202-F234 HydrophobicContact CD2-CD2 4.05Å; W202-F234 HydrophobicContact CD2-CG 4.06Å; W202-F234 HydrophobicContact CE3-CB 4.11Å; W202-F234 HydrophobicContact CE3-CG 4.49Å; W202-F234 HydrophobicContact CG-CB 4.17Å; W202-F234 AromaticContact CG-CD2 3.5Å; W202-F234 HydrophobicContact CG-CD2 3.5Å; W202-F234 HydrophobicContact CG-CE2 4.13Å; W202-F234 AromaticContact CG-CG 3.99Å; W202-F234 HydrophobicContact CG-CG 3.99Å; W202-F234 HydrophobicContact CH2-CB 4.26Å; W202-F234 HydrophobicContact CZ2-CB 3.98Å; W202-F234 HydrophobicContact CZ3-CB 4.33Å; I231-F234 HydrophobicContact CB-CB 4.06Å; I231-F234 HydrophobicContact CB-CD1 4.12Å; I231-F234 HydrophobicContact CG1-CD1 4.17Å; I231-F234 HydrophobicContact CG2-CB 4.37Å; I231-F234 PolarHBondContact O-N 3.18Å; I231-F234 VanDerWaalsContact O-N 3.11Å; Q232-F234 VanDerWaalsContact C-N 3.28Å; Q232-F234 PolarHBondContact O-N 3.01Å
235N97.3Very high96.3Very high0 Ų033.7 Ų33.70%019%0.193CC..THydrogen-bonded Turntrans-143.31.2-176.369.3-10.9000113.5K192 P229 L230 I231 D237 S240 I244K192-N235 PolarHBondContact O-ND2 3.42Å; P229-N235 PolarHBondContact O-ND2 3.46Å; P229-N235 PolarHBondContact O-OD1 2.93Å; L230-N235 WeakPolarHBondContact CA-OD1 3.39Å; I231-N235 PolarHBondContact N-OD1 2.91Å; I231-N235 PolarHBondContact O-N 3.01Å; N235-D237 PolarHBondContact O-N 3.09Å; N235-S240 WeakPolarHBondContact O-CB 3.47Å; N235-I244 HydrophobicContact CB-CD1 4.38Å
236A97.2Very high96.1Very high14 Ų1434.8 Ų34.812%0.11620%0.199CC..  trans-80.963.2174.500000110.9L230 I231 L284 L289L230-A236 HydrophobicContact CB-CB 4.23Å; I231-A236 WeakPolarHBondContact O-CB 3.31Å; I231-A236 PolarHBondContact O-N 3.38Å; I231-A236 VanDerWaalsContact O-N 3.13Å; A236-L284 HydrophobicContact CB-CD1 3.94Å; A236-L284 HydrophobicContact CB-CD2 4.1Å; A236-L289 VanDerWaalsContact C-CD2 3.41Å; A236-L289 HydrophobicContact CB-CD2 3.96Å
237D96.8Very high96Very high62 Ų6235.9 Ų35.933%0.33220%0.204SC..SBendtrans-149.2154.6175.668.987000109.8N235 T239 S240 V241N235-D237 PolarHBondContact O-N 3.09Å; D237-T239 VanDerWaalsContact C-N 3.26Å; D237-T239 PolarHBondContact O-N 2.93Å; D237-T239 WeakPolarHBondContact OD1-CA 3.45Å; D237-T239 VanDerWaalsContact OD1-CB 3.3Å; D237-T239 WeakPolarHBondContact OD1-CB 3.44Å; D237-T239 PolarHBondContact OD1-N 3.21Å; D237-S240 VanDerWaalsContact CG-OG 3.31Å; D237-S240 PolarHBondContact O-N 3.24Å; D237-S240 PolarHBondContact OD1-N 2.95Å; D237-S240 PolarHBondContact OD1-OG 2.88Å; D237-S240 VanDerWaalsContact OD2-CB 3.26Å; D237-S240 WeakPolarHBondContact OD2-CB 3.38Å; D237-S240 PolarHBondContact OD2-OG 2.96Å; D237-V241 WeakPolarHBondContact O-CB 3.45Å; D237-V241 WeakPolarHBondContact O-CG2 3.36Å; D237-V241 PolarHBondContact O-N 3.44Å
238E96Very high95.9Very high113 Ų11334.2 Ų34.253%0.52820%0.198SC..Hα-helixtrans-60.2-34-175.5-66.6-174.4-177.900113.2K242 L289 F292E238-K242 WeakPolarHBondContact O-CB 3.18Å; E238-K242 PolarHBondContact O-N 3.22Å; E238-L289 HydrophobicContact CG-CD1 4.01Å; E238-F292 HydrophobicContact CB-CD1 4.13Å; E238-F292 HydrophobicContact CB-CE1 3.64Å; E238-F292 HydrophobicContact CB-CZ 3.86Å; E238-F292 HydrophobicContact CG-CD1 3.75Å; E238-F292 HydrophobicContact CG-CD2 4.3Å; E238-F292 HydrophobicContact CG-CE1 3.78Å; E238-F292 HydrophobicContact CG-CE2 4.32Å; E238-F292 HydrophobicContact CG-CG 4.02Å; E238-F292 HydrophobicContact CG-CZ 4.07Å
239T96.6Very high95.5Very high112 Ų11235 Ų3569%0.68721%0.205SC*.Hα-helixtrans-68.1-46.5-177.8-59.40000110.4D237 A243D237-T239 VanDerWaalsContact C-N 3.26Å; D237-T239 PolarHBondContact O-N 2.93Å; D237-T239 WeakPolarHBondContact OD1-CA 3.45Å; D237-T239 VanDerWaalsContact OD1-CB 3.3Å; D237-T239 WeakPolarHBondContact OD1-CB 3.44Å; D237-T239 PolarHBondContact OD1-N 3.21Å; T239-A243 WeakPolarHBondContact O-CB 3.41Å; T239-A243 PolarHBondContact O-N 3.18Å
240S96.9Very high95.1Very high10 Ų1037.8 Ų37.87%0.0722%0.219CC..Hα-helixtrans-65.4-44.9176.4-63.20000111.7N235 D237 K242 A243 I244N235-S240 WeakPolarHBondContact O-CB 3.47Å; D237-S240 VanDerWaalsContact CG-OG 3.31Å; D237-S240 PolarHBondContact O-N 3.24Å; D237-S240 PolarHBondContact OD1-N 2.95Å; D237-S240 PolarHBondContact OD1-OG 2.88Å; D237-S240 VanDerWaalsContact OD2-CB 3.26Å; D237-S240 WeakPolarHBondContact OD2-CB 3.38Å; D237-S240 PolarHBondContact OD2-OG 2.96Å; S240-K242 VanDerWaalsContact C-N 3.35Å; S240-K242 PolarHBondContact O-N 2.89Å; S240-A243 PolarHBondContact O-N 3.5Å; S240-I244 WeakPolarHBondContact O-CB 3.46Å; S240-I244 WeakPolarHBondContact O-CD1 3.49Å; S240-I244 VanDerWaalsContact O-CG1 3.24Å; S240-I244 WeakPolarHBondContact O-CG1 3.44Å; S240-I244 PolarHBondContact O-N 3.36Å
241V96.6Very high94.8Very high0 Ų042.6 Ų42.60%024%0.241CC..Hα-helixtrans-58-47.4176.4165.10000111L230 D237 I244 T245 F259 L289 F292 A293L230-V241 HydrophobicContact CD2-CG2 3.91Å; D237-V241 WeakPolarHBondContact O-CB 3.45Å; D237-V241 WeakPolarHBondContact O-CG2 3.36Å; D237-V241 PolarHBondContact O-N 3.44Å; V241-I244 PolarHBondContact O-N 3.42Å; V241-T245 WeakPolarHBondContact O-CB 3.38Å; V241-T245 PolarHBondContact O-N 3.36Å; V241-T245 PolarHBondContact O-OG1 3.46Å; V241-F259 HydrophobicContact CG1-CE1 4.09Å; V241-F259 HydrophobicContact CG1-CZ 4.04Å; V241-F259 HydrophobicContact CG2-CE1 4.42Å; V241-L289 HydrophobicContact CG2-CD1 4.19Å; V241-F292 HydrophobicContact CB-CE1 4.3Å; V241-F292 HydrophobicContact CG1-CD1 4.06Å; V241-F292 HydrophobicContact CG1-CE1 3.92Å; V241-A293 HydrophobicContact CG1-CB 3.53Å; V241-A293 HydrophobicContact CG2-CB 4.46Å
242K94.3Very high94.6Very high98 Ų9843 Ų4343%0.42624%0.243SC..Hα-helixtrans-58-52.8176.7174.5162.7-175.9173.10111.4E238 S240 I244 T245 D246 Y296E238-K242 WeakPolarHBondContact O-CB 3.18Å; E238-K242 PolarHBondContact O-N 3.22Å; S240-K242 VanDerWaalsContact C-N 3.35Å; S240-K242 PolarHBondContact O-N 2.89Å; K242-I244 VanDerWaalsContact C-N 3.32Å; K242-I244 PolarHBondContact O-N 3.46Å; K242-T245 PolarHBondContact O-N 3.31Å; K242-T245 VanDerWaalsContact O-N 3.15Å; K242-D246 WeakPolarHBondContact CG-OD2 3.46Å; K242-D246 WeakPolarHBondContact O-CB 3.29Å; K242-D246 PolarHBondContact O-N 2.64Å; K242-Y296 HydrophobicContact CB-CD1 4.48Å; K242-Y296 HydrophobicContact CB-CE1 4.09Å; K242-Y296 HydrophobicContact CD-CE1 4.46Å; K242-Y296 HydrophobicContact CD-CE2 4.2Å; K242-Y296 WeakPolarHBondContact CE-OH 3.45Å; K242-Y296 HydrophobicContact CG-CE1 3.7Å; K242-Y296 HydrophobicContact CG-CE2 4.31Å
243A95.8Very high94.3Very high35 Ų3545 Ų4529%0.28925%0.252SS..Hα-helixtrans-63.4-36.3-177.700000113.1V194 T239 S240 F247V194-A243 HydrophobicContact CG2-CB 3.67Å; T239-A243 WeakPolarHBondContact O-CB 3.41Å; T239-A243 PolarHBondContact O-N 3.18Å; S240-A243 PolarHBondContact O-N 3.5Å; A243-F247 WeakPolarHBondContact O-CB 3.29Å; A243-F247 PolarHBondContact O-N 2.91Å; A243-F247 VanDerWaalsContact O-N 3.1Å
244I97Very high94.1Very high0 Ų043.1 Ų43.10%023%0.228CC..Hα-helixtrans-66.9-44.4174.4-73.2167.7000110.9L191 V194 V228 N235 S240 V241 K242 F247 A248 I257L191-I244 HydrophobicContact CD2-CG2 3.82Å; L191-I244 HydrophobicContact CG-CG2 3.99Å; V194-I244 HydrophobicContact CG1-CG1 4.2Å; V228-I244 HydrophobicContact CG1-CD1 3.93Å; V228-I244 HydrophobicContact CG1-CG2 4.23Å; V228-I244 HydrophobicContact CG2-CG2 3.64Å; N235-I244 HydrophobicContact CB-CD1 4.38Å; S240-I244 WeakPolarHBondContact O-CB 3.46Å; S240-I244 WeakPolarHBondContact O-CD1 3.49Å; S240-I244 VanDerWaalsContact O-CG1 3.24Å; S240-I244 WeakPolarHBondContact O-CG1 3.44Å; S240-I244 PolarHBondContact O-N 3.36Å; V241-I244 PolarHBondContact O-N 3.42Å; K242-I244 VanDerWaalsContact C-N 3.32Å; K242-I244 PolarHBondContact O-N 3.46Å; I244-F247 PolarHBondContact O-N 3.03Å; I244-A248 WeakPolarHBondContact O-CB 3.29Å; I244-A248 PolarHBondContact O-N 2.88Å; I244-I257 HydrophobicContact CG2-CD1 4.22Å
245T94.3Very high93.5Very high3 Ų345.7 Ų45.72%0.01826%0.257CS..Hα-helixtrans-65.8-45.2179.4-53.80000111.3V241 K242 F247 A248 A249 F259 Y296 A297 K300V241-T245 WeakPolarHBondContact O-CB 3.38Å; V241-T245 PolarHBondContact O-N 3.36Å; V241-T245 PolarHBondContact O-OG1 3.46Å; K242-T245 PolarHBondContact O-N 3.31Å; K242-T245 VanDerWaalsContact O-N 3.15Å; T245-F247 VanDerWaalsContact C-N 3.33Å; T245-F247 PolarHBondContact O-N 3.24Å; T245-A248 PolarHBondContact O-N 3.33Å; T245-A249 WeakPolarHBondContact O-CB 3.46Å; T245-A249 PolarHBondContact O-N 3.34Å; T245-F259 WeakPolarHBondContact OG1-CZ 3.25Å; T245-Y296 HydrophobicContact CG2-CD1 3.77Å; T245-Y296 HydrophobicContact CG2-CE1 4.1Å; T245-A297 HydrophobicContact CG2-CB 3.86Å; T245-K300 HydrophobicContact CG2-CB 4.4Å; T245-K300 HydrophobicContact CG2-CG 4.19Å
246D92.3Very high93.1Very high37 Ų3749.5 Ų49.520%0.19827%0.274CS..Hα-helixtrans-57.9-46.7176-68.9-21.1000110.2K242 A248 A249 D250 Y296 K300K242-D246 WeakPolarHBondContact CG-OD2 3.46Å; K242-D246 WeakPolarHBondContact O-CB 3.29Å; K242-D246 PolarHBondContact O-N 2.64Å; D246-A248 PolarHBondContact O-N 3.03Å; D246-A249 PolarHBondContact O-N 2.91Å; D246-D250 WeakPolarHBondContact O-CA 3.25Å; D246-D250 WeakPolarHBondContact O-CB 3.25Å; D246-D250 VanDerWaalsContact O-CG 3.26Å; D246-D250 PolarHBondContact O-N 3.33Å; D246-Y296 VanDerWaalsContact OD1-CE1 3.31Å; D246-Y296 WeakPolarHBondContact OD1-CE1 3.15Å; D246-Y296 PolarHBondContact OD1-OH 3.4Å; D246-K300 WeakPolarHBondContact OD1-CE 3.37Å; D246-K300 IonicContact OD1-NZ 2.69Å; D246-K300 PolarHBondContact OD1-NZ 3.27Å; D246-K300 VanDerWaalsContact OD1-NZ 3.13Å
247F95.2Very high93Very high23 Ų2350.6 Ų50.610%0.10128%0.278CS..Iπ-helixtrans-62.1-44.6175.8-174.7-92.2000112.4L191 V194 L211 L214 K215 A243 I244 T245 E251 L252L191-F247 HydrophobicContact CD2-CD1 3.77Å; V194-F247 HydrophobicContact CG1-CB 3.8Å; V194-F247 HydrophobicContact CG1-CG 4.07Å; L211-F247 HydrophobicContact CB-CE1 4.45Å; L211-F247 HydrophobicContact CB-CE2 4.19Å; L211-F247 HydrophobicContact CB-CZ 3.72Å; L211-F247 HydrophobicContact CD1-CE2 4.39Å; L211-F247 HydrophobicContact CD2-CD1 4.03Å; L211-F247 HydrophobicContact CD2-CD2 4.42Å; L211-F247 HydrophobicContact CD2-CE1 3.56Å; L211-F247 HydrophobicContact CD2-CE2 4Å; L211-F247 HydrophobicContact CD2-CG 4.44Å; L211-F247 HydrophobicContact CD2-CZ 3.57Å; L211-F247 HydrophobicContact CG-CE2 4.4Å; L211-F247 HydrophobicContact CG-CZ 4.11Å; L214-F247 HydrophobicContact CB-CE1 4.43Å; L214-F247 HydrophobicContact CD1-CE1 4.18Å; K215-F247 HydrophobicContact CG-CZ 4.22Å; A243-F247 WeakPolarHBondContact O-CB 3.29Å; A243-F247 PolarHBondContact O-N 2.91Å; A243-F247 VanDerWaalsContact O-N 3.1Å; I244-F247 PolarHBondContact O-N 3.03Å; T245-F247 VanDerWaalsContact C-N 3.33Å; T245-F247 PolarHBondContact O-N 3.24Å; F247-E251 HydrophobicContact CD2-CB 3.93Å; F247-E251 HydrophobicContact CD2-CG 3.77Å; F247-E251 HydrophobicContact CE2-CB 3.97Å; F247-E251 HydrophobicContact CE2-CG 4.04Å; F247-E251 HydrophobicContact CG-CB 4.33Å; F247-E251 HydrophobicContact CG-CG 4.45Å; F247-E251 HydrophobicContact CZ-CB 4.4Å; F247-E251 VanDerWaalsContact O-CB 3.3Å; F247-E251 WeakPolarHBondContact O-CB 3.39Å; F247-E251 PolarHBondContact O-N 3.09Å; F247-E251 VanDerWaalsContact O-N 3.09Å; F247-L252 HydrophobicContact CD1-CD1 4.04Å; F247-L252 HydrophobicContact CD1-CG 4.06Å; F247-L252 HydrophobicContact CE1-CD1 3.77Å; F247-L252 HydrophobicContact CE1-CD2 3.78Å; F247-L252 HydrophobicContact CE1-CG 3.74Å; F247-L252 HydrophobicContact CZ-CD2 4.12Å; F247-L252 HydrophobicContact CZ-CG 4.47Å; F247-L252 PolarHBondContact O-N 2.8Å
248A94.7Very high92.9Very high3 Ų350.6 Ų50.63%0.02528%0.276CS..Iπ-helixtrans-62.8-43.8179.900000112.2I226 I244 T245 D246 L252 H253 V254 I257I226-A248 HydrophobicContact CG1-CB 4.16Å; I244-A248 WeakPolarHBondContact O-CB 3.29Å; I244-A248 PolarHBondContact O-N 2.88Å; T245-A248 PolarHBondContact O-N 3.33Å; D246-A248 PolarHBondContact O-N 3.03Å; A248-L252 WeakPolarHBondContact O-CB 2.93Å; A248-H253 PolarHBondContact O-N 2.85Å; A248-V254 HydrophobicContact CB-CG2 3.71Å; A248-V254 WeakPolarHBondContact O-CG2 3.33Å; A248-V254 PolarHBondContact O-N 2.63Å; A248-V254 VanDerWaalsContact O-N 3.14Å; A248-I257 HydrophobicContact CB-CD1 4.12Å
249A89.1Confident92.8Very high18 Ų1846.8 Ų46.815%0.14926%0.258CS..Iπ-helixtrans-79-48.6-178.600000112.7T245 D246 H253 K300T245-A249 WeakPolarHBondContact O-CB 3.46Å; T245-A249 PolarHBondContact O-N 3.34Å; D246-A249 PolarHBondContact O-N 2.91Å; A249-H253 VanDerWaalsContact O-CA 3.23Å; A249-H253 WeakPolarHBondContact O-CA 3.25Å; A249-H253 PolarHBondContact O-N 3.43Å; A249-H253 PolarHBondContact O-ND1 2.84Å; A249-H253 VanDerWaalsContact O-ND1 3.12Å; A249-K300 HydrophobicContact CB-CB 3.68Å; A249-K300 HydrophobicContact CB-CD 4.33Å; A249-K300 HydrophobicContact CB-CG 4.24Å
250D88.1Confident92.7Very high79 Ų7943.8 Ų43.842%0.42224%0.237SC..Iπ-helixtrans-87.3-34.4-167.1-53.4-25.5000112D246 H253 K300D246-D250 WeakPolarHBondContact O-CA 3.25Å; D246-D250 WeakPolarHBondContact O-CB 3.25Å; D246-D250 VanDerWaalsContact O-CG 3.26Å; D246-D250 PolarHBondContact O-N 3.33Å; D250-H253 PolarHBondContact O-CE1 2.94Å; D250-K300 IonicContact OD1-NZ 2.86Å; D250-K300 PolarHBondContact OD1-NZ 3Å; D250-K300 IonicContact OD2-NZ 2.55Å; D250-K300 PolarHBondContact OD2-NZ 3.32Å
251E91.7Very high92.6Very high102 Ų10246 Ų4648%0.47725%0.252SS..Iπ-helixtrans-99.3-31-177.1-62.7-79.2149.700113.2K215 F247K215-E251 WeakPolarHBondContact CE-OE2 3.3Å; K215-E251 IonicContact NZ-OE2 3.44Å; K215-E251 PolarHBondContact NZ-OE2 2.72Å; F247-E251 HydrophobicContact CD2-CB 3.93Å; F247-E251 HydrophobicContact CD2-CG 3.77Å; F247-E251 HydrophobicContact CE2-CB 3.97Å; F247-E251 HydrophobicContact CE2-CG 4.04Å; F247-E251 HydrophobicContact CG-CB 4.33Å; F247-E251 HydrophobicContact CG-CG 4.45Å; F247-E251 HydrophobicContact CZ-CB 4.4Å; F247-E251 VanDerWaalsContact O-CB 3.3Å; F247-E251 WeakPolarHBondContact O-CB 3.39Å; F247-E251 PolarHBondContact O-N 3.09Å; F247-E251 VanDerWaalsContact O-N 3.09Å
252L92.8Very high92.5Very high8 Ų846.5 Ų46.54%0.04225%0.253CS..THydrogen-bonded Turntrans-104.8-17.1-178.9-50.8-177.8000113.4L214 K215 A218 I226 F247 A248 V254L214-L252 HydrophobicContact CB-CD1 3.92Å; L214-L252 HydrophobicContact CB-CD2 3.83Å; L214-L252 HydrophobicContact CD1-CD1 4.24Å; L214-L252 HydrophobicContact CD2-CD1 4.14Å; L214-L252 HydrophobicContact CG-CD1 4.34Å; K215-L252 HydrophobicContact CG-CD2 3.95Å; A218-L252 HydrophobicContact CB-CB 4.28Å; A218-L252 HydrophobicContact CB-CD2 4.25Å; I226-L252 HydrophobicContact CD1-CD1 3.72Å; I226-L252 HydrophobicContact CG1-CD1 4.33Å; F247-L252 HydrophobicContact CD1-CD1 4.04Å; F247-L252 HydrophobicContact CD1-CG 4.06Å; F247-L252 HydrophobicContact CE1-CD1 3.77Å; F247-L252 HydrophobicContact CE1-CD2 3.78Å; F247-L252 HydrophobicContact CE1-CG 3.74Å; F247-L252 HydrophobicContact CZ-CD2 4.12Å; F247-L252 HydrophobicContact CZ-CG 4.47Å; F247-L252 PolarHBondContact O-N 2.8Å; A248-L252 WeakPolarHBondContact O-CB 2.93Å; L252-V254 HydrophobicContact CB-CG1 3.82Å; L252-V254 PolarHBondContact O-N 3.03Å
253H88.3Confident92.4Very high154 Ų15445 Ų4571%0.71325%0.248SC*.  trans51.737.9-174.6-52.7-52.6000112.9A248 A249 D250A248-H253 PolarHBondContact O-N 2.85Å; A249-H253 VanDerWaalsContact O-CA 3.23Å; A249-H253 WeakPolarHBondContact O-CA 3.25Å; A249-H253 PolarHBondContact O-N 3.43Å; A249-H253 PolarHBondContact O-ND1 2.84Å; A249-H253 VanDerWaalsContact O-ND1 3.12Å; D250-H253 PolarHBondContact O-CE1 2.94Å
254V89.4Confident92.3Very high26 Ų2645.4 Ų45.416%0.15825%0.247CC..  trans-79139.5178.5-65.30000111I224 I226 A248 L252I224-V254 HydrophobicContact CB-CG1 3.85Å; I224-V254 HydrophobicContact CD1-CG1 4.45Å; I224-V254 HydrophobicContact CG2-CG1 4.19Å; I226-V254 HydrophobicContact CG1-CB 4.44Å; I226-V254 HydrophobicContact CG1-CG1 4.29Å; I226-V254 HydrophobicContact CG1-CG2 3.66Å; A248-V254 HydrophobicContact CB-CG2 3.71Å; A248-V254 WeakPolarHBondContact O-CG2 3.33Å; A248-V254 PolarHBondContact O-N 2.63Å; A248-V254 VanDerWaalsContact O-N 3.14Å; L252-V254 HydrophobicContact CB-CG1 3.82Å; L252-V254 PolarHBondContact O-N 3.03Å
255G82.4Confident91.9Very high62 Ų6252 Ų5264%0.63928%0.281SS*.SBendtrans-92.54.6-178.800000115.1K305G255-K305 PolarHBondContact O-NZ 3.28Å
256E90.3Very high91.7Very high80 Ų8052.2 Ų52.237%0.37428%0.283SS..  trans-155129.9-175.5-166.5172.6166.100112.1I225 I226 H258I225-E256 HydrophobicContact CG1-CB 4.15Å; I225-E256 HydrophobicContact CG1-CG 4.19Å; I225-E256 HydrophobicContact CG2-CG 4.14Å; I226-E256 PolarHBondContact N-O 3.08Å; E256-H258 IonicContact OE1-CD2 3.89Å; E256-H258 IonicContact OE1-CE1 3.65Å; E256-H258 IonicContact OE1-NE2 3.91Å; E256-H258 PolarHBondContact OE1-NE2 3.2Å
257I93.4Very high91.8Very high37 Ų3752.9 Ų52.919%0.1929%0.286CS..EExtended strand (participates in β ladder)trans-136.5135.2177.3-174.6165.6000109.5I226 V228 I244 A248 F259 A297I226-I257 HydrophobicContact CB-CB 4.37Å; I226-I257 HydrophobicContact CB-CD1 4.39Å; I226-I257 HydrophobicContact CB-CG1 4.03Å; I226-I257 HydrophobicContact CG2-CD1 4Å; I226-I257 HydrophobicContact CG2-CG1 3.97Å; I226-I257 CarbonylContact O-C 3.56Å; I226-I257 WeakPolarHBondContact O-CA 3.48Å; V228-I257 HydrophobicContact CG2-CD1 3.93Å; V228-I257 HydrophobicContact CG2-CG1 4.05Å; I244-I257 HydrophobicContact CG2-CD1 4.22Å; A248-I257 HydrophobicContact CB-CD1 4.12Å; I257-F259 HydrophobicContact CD1-CE1 4.22Å; I257-F259 HydrophobicContact CD1-CE2 4.28Å; I257-F259 HydrophobicContact CD1-CZ 3.78Å; I257-F259 HydrophobicContact CG1-CE2 4.34Å; I257-F259 HydrophobicContact CG1-CZ 4.25Å; I257-F259 HydrophobicContact CG2-CE2 4.15Å; I257-A297 HydrophobicContact CG2-CB 3.76Å
258H94.6Very high91.7Very high62 Ų6254.8 Ų54.829%0.28730%0.298SS..EExtended strand (participates in β ladder)trans-113.5111.6178.7-64.5177.2000109.5I226 R227 V228 E256 L260I226-H258 PolarHBondContact O-N 3.23Å; R227-H258 HydrophobicContact CG-CB 4.37Å; V228-H258 PolarHBondContact N-O 3.33Å; E256-H258 IonicContact OE1-CD2 3.89Å; E256-H258 IonicContact OE1-CE1 3.65Å; E256-H258 IonicContact OE1-NE2 3.91Å; E256-H258 PolarHBondContact OE1-NE2 3.2Å; H258-L260 HydrophobicContact CB-CD2 4.14Å; H258-L260 HydrophobicContact CB-CG 4.41Å
259F95.3Very high91.7Very high34 Ų3457.3 Ų57.315%0.14931%0.308CS..EExtended strand (participates in β ladder)trans-82.5119.7166.6-65.9-72.2000109V228 L230 V241 T245 I257 P261 A293 A297V228-F259 HydrophobicContact CB-CD1 3.88Å; V228-F259 HydrophobicContact CB-CE1 4.18Å; V228-F259 HydrophobicContact CG1-CD1 4.1Å; V228-F259 HydrophobicContact CG1-CE1 4.24Å; V228-F259 HydrophobicContact CG2-CD1 4.35Å; V228-F259 HydrophobicContact CG2-CE1 4.22Å; L230-F259 HydrophobicContact CD1-CB 3.9Å; L230-F259 HydrophobicContact CD1-CD1 4.16Å; L230-F259 HydrophobicContact CD1-CG 4.38Å; L230-F259 HydrophobicContact CD2-CD1 4.03Å; L230-F259 HydrophobicContact CG-CB 4.4Å; L230-F259 HydrophobicContact CG-CD1 4.22Å; V241-F259 HydrophobicContact CG1-CE1 4.09Å; V241-F259 HydrophobicContact CG1-CZ 4.04Å; V241-F259 HydrophobicContact CG2-CE1 4.42Å; T245-F259 WeakPolarHBondContact OG1-CZ 3.25Å; I257-F259 HydrophobicContact CD1-CE1 4.22Å; I257-F259 HydrophobicContact CD1-CE2 4.28Å; I257-F259 HydrophobicContact CD1-CZ 3.78Å; I257-F259 HydrophobicContact CG1-CE2 4.34Å; I257-F259 HydrophobicContact CG1-CZ 4.25Å; I257-F259 HydrophobicContact CG2-CE2 4.15Å; F259-P261 WeakPolarHBondContact O-CD 3.34Å; F259-A293 HydrophobicContact CD1-CB 4.22Å; F259-A293 HydrophobicContact CD2-CB 3.64Å; F259-A293 HydrophobicContact CE1-CB 4.25Å; F259-A293 HydrophobicContact CE2-CB 3.68Å; F259-A293 WeakPolarHBondContact CE2-O 3.43Å; F259-A293 HydrophobicContact CG-CB 3.92Å; F259-A293 HydrophobicContact CZ-CB 3.99Å; F259-A297 HydrophobicContact CE2-CB 4.1Å
260L94.4Very high92Very high49 Ų4956.7 Ų56.726%0.25730%0.302SS..EExtended strand (participates in β ladder)trans-111.4102.8-172.4-57.6170.6000108.5R227 V228 P229 L230 H258 Y262R227-L260 HydrophobicContact CB-CD1 4.03Å; R227-L260 HydrophobicContact CG-CD1 4.32Å; R227-L260 VanDerWaalsContact CZ-CD1 3.41Å; V228-L260 PolarHBondContact O-N 3.4Å; P229-L260 WeakPolarHBondContact CA-O 3.38Å; L230-L260 PolarHBondContact N-O 3.42Å; H258-L260 HydrophobicContact CB-CD2 4.14Å; H258-L260 HydrophobicContact CB-CG 4.41Å; L260-Y262 PolarHBondContact O-N 2.79Å
261P94.5Very high92.3Very high57 Ų5758.7 Ų58.737%0.3731%0.309SS..EExtended strand (participates in β ladder)trans-56.7131.9177.1-20.529.8000110.5F259 H263 L284 L290F259-P261 WeakPolarHBondContact O-CD 3.34Å; P261-H263 PolarHBondContact O-N 3.2Å; P261-L284 HydrophobicContact CB-CB 4.49Å; P261-L290 HydrophobicContact CG-CD1 3.81Å; P261-L290 HydrophobicContact CG-CD2 3.9Å
262Y94.5Very high92.4Very high10 Ų1055 Ų554%0.03929%0.292CS..  trans-59.3137.8177.4170-110.5000111.8W40 L230 I231 L260 T264 Y277 P280 K282 P283 L284W40-Y262 HydrophobicContact CB-CD2 4.35Å; W40-Y262 HydrophobicContact CB-CE2 4.07Å; L230-Y262 WeakPolarHBondContact O-CB 3.31Å; L230-Y262 PolarHBondContact O-N 3.45Å; I231-Y262 HydrophobicContact CD1-CD2 3.73Å; I231-Y262 HydrophobicContact CD1-CG 4Å; L260-Y262 PolarHBondContact O-N 2.79Å; Y262-T264 HydrophobicContact CE1-CG2 4.01Å; Y262-Y277 PolarHBondContact OH-OH 2.98Å; Y262-P280 HydrophobicContact CD1-CB 4.23Å; Y262-P280 HydrophobicContact CE1-CB 3.87Å; Y262-P280 WeakPolarHBondContact CE1-O 3.43Å; Y262-P280 VanDerWaalsContact CZ-O 3.31Å; Y262-P280 PolarHBondContact OH-O 2.96Å; Y262-K282 VanDerWaalsContact CD1-O 3.32Å; Y262-K282 WeakPolarHBondContact CD1-O 3.49Å; Y262-K282 WeakPolarHBondContact CE1-O 3.42Å; Y262-P283 CarbonylContact O-C 3.53Å; Y262-P283 VanDerWaalsContact O-CA 3.23Å; Y262-P283 WeakPolarHBondContact O-CA 3.4Å; Y262-P283 WeakPolarHBondContact O-CB 3.34Å; Y262-L284 PolarHBondContact O-N 3.45Å
263H93.1Very high92.5Very high67 Ų6755 Ų5531%0.3129%0.292SS..  trans-133.6156.3172.966.473.6000111.8Q42 P261 L265Q42-H263 PolarHBondContact NE2-CE1 2.95Å; Q42-H263 PolarHBondContact NE2-ND1 2.69Å; Q42-H263 PolarHBondContact NE2-NE2 2.86Å; Q42-H263 PolarHBondContact OE1-CE1 2.55Å; Q42-H263 PolarHBondContact OE1-NE2 2.98Å; P261-H263 PolarHBondContact O-N 3.2Å; H263-L265 WeakPolarHBondContact ND1-CB 3.49Å; H263-L265 WeakPolarHBondContact ND1-CG 3.44Å; H263-L265 PolarHBondContact O-N 3.48Å
264T92.6Very high92.8Very high43 Ų4353.4 Ų53.426%0.26429%0.289SS..G310 helixtrans-92.54.7-167.453.60000115Y262 G266 I267 E281 P283Y262-T264 HydrophobicContact CE1-CG2 4.01Å; T264-G266 PolarHBondContact O-N 3.27Å; T264-I267 HydrophobicContact CG2-CD1 3.81Å; T264-I267 WeakPolarHBondContact O-CB 3.39Å; T264-I267 WeakPolarHBondContact O-CG1 3.22Å; T264-I267 PolarHBondContact O-N 3.4Å; T264-E281 WeakPolarHBondContact CG2-O 3.34Å; T264-P283 HydrophobicContact CG2-CG 4.14Å
265L90Very high92.9Very high139 Ų13955.7 Ų55.773%0.72830%0.3SS*.G310 helixtrans-55.8-22.7-178.4-59.8178.5000114.3H263H263-L265 WeakPolarHBondContact ND1-CB 3.49Å; H263-L265 WeakPolarHBondContact ND1-CG 3.44Å; H263-L265 PolarHBondContact O-N 3.48Å
266G89.8Confident93.4Very high6 Ų657.1 Ų57.16%0.06230%0.298CS..G310 helixtrans-79.4-19.3177.700000115.5T264 N268 K269T264-G266 PolarHBondContact O-N 3.27Å; G266-N268 VanDerWaalsContact C-N 3.33Å; G266-N268 PolarHBondContact O-N 3.4Å; G266-K269 WeakPolarHBondContact O-CB 3.45Å; G266-K269 PolarHBondContact O-N 3.43Å
267I93.8Very high93.6Very high51 Ų5155.6 Ų55.626%0.26229%0.289SS..Hα-helixtrans-58.2-43.4-170-65.2-177.5000111.8T264 K269 Y270 H271 Y277T264-I267 HydrophobicContact CG2-CD1 3.81Å; T264-I267 WeakPolarHBondContact O-CB 3.39Å; T264-I267 WeakPolarHBondContact O-CG1 3.22Å; T264-I267 PolarHBondContact O-N 3.4Å; I267-K269 PolarHBondContact O-N 3.24Å; I267-K269 VanDerWaalsContact O-N 3.14Å; I267-Y270 WeakPolarHBondContact O-CB 3.28Å; I267-Y270 PolarHBondContact O-N 3.38Å; I267-Y270 VanDerWaalsContact O-N 3.1Å; I267-H271 PolarHBondContact O-N 2.9Å; I267-Y277 HydrophobicContact CD1-CD1 4.21Å; I267-Y277 HydrophobicContact CD1-CE1 3.74Å; I267-Y277 HydrophobicContact CG1-CD1 4.07Å; I267-Y277 HydrophobicContact CG1-CD2 4.38Å; I267-Y277 HydrophobicContact CG1-CE1 3.63Å; I267-Y277 HydrophobicContact CG1-CE2 3.98Å; I267-Y277 HydrophobicContact CG1-CG 4.43Å; I267-Y277 HydrophobicContact CG2-CD1 4.45Å; I267-Y277 HydrophobicContact CG2-CG 4.43Å
268N93.9Very high93.5Very high64 Ų6458.5 Ų58.534%0.34231%0.305SS..Hα-helixtrans-58.6-32.5-178.3-172.668.1000112.1G266 Y270 H271 L272G266-N268 VanDerWaalsContact C-N 3.33Å; G266-N268 PolarHBondContact O-N 3.4Å; N268-Y270 VanDerWaalsContact C-N 3.33Å; N268-Y270 PolarHBondContact O-N 3.43Å; N268-H271 WeakPolarHBondContact O-CB 3.31Å; N268-H271 PolarHBondContact O-N 3.09Å; N268-H271 VanDerWaalsContact O-N 3.17Å; N268-L272 WeakPolarHBondContact O-CG 3.4Å; N268-L272 PolarHBondContact O-N 2.89Å
269K94.5Very high93.4Very high55 Ų5556.1 Ų56.124%0.23930%0.296CS..Hα-helixtrans-67.5-32.2-179.3-61.6175.1170.5-160.10112.8Q42 N43 P44 E45 G266 I267 H271 L272 L273Q42-K269 WeakPolarHBondContact O-CD 3.46Å; Q42-K269 WeakPolarHBondContact O-CE 3.46Å; Q42-K269 PolarHBondContact O-NZ 3.14Å; N43-K269 PolarHBondContact OD1-NZ 2.88Å; P44-K269 HydrophobicContact CG-CB 3.69Å; E45-K269 WeakPolarHBondContact OE1-CE 3.27Å; E45-K269 IonicContact OE1-NZ 3.86Å; E45-K269 PolarHBondContact OE1-NZ 3.1Å; E45-K269 WeakPolarHBondContact OE2-CD 3.47Å; E45-K269 IonicContact OE2-NZ 3.73Å; G266-K269 WeakPolarHBondContact O-CB 3.45Å; G266-K269 PolarHBondContact O-N 3.43Å; I267-K269 PolarHBondContact O-N 3.24Å; I267-K269 VanDerWaalsContact O-N 3.14Å; K269-H271 VanDerWaalsContact C-N 3.35Å; K269-L272 PolarHBondContact O-N 3.39Å; K269-L273 WeakPolarHBondContact O-CG 3.46Å; K269-L273 PolarHBondContact O-N 2.57Å; K269-L273 VanDerWaalsContact O-N 3.1Å
270Y95.7Very high93.3Very high5 Ų555.8 Ų55.82%0.0230%0.297CS..Hα-helixtrans-64.4-42.6172-75.2-102.2000111.2C38 R39 C41 P44 R47 I267 N268 L272 L273 N274 L275 P276 Y277C38-Y270 PolarHBondContact O-OH 3.47Å; R39-Y270 PolarHBondContact O-OH 3.2Å; R39-Y270 VanDerWaalsContact O-OH 3.13Å; C41-Y270 WeakPolarHBondContact CB-OH 3.3Å; C41-Y270 PolarHBondContact N-OH 2.88Å; C41-Y270 VanDerWaalsContact N-OH 3.09Å; C41-Y270 WeakPolarHBondContact O-CE2 3.3Å; C41-Y270 PolarHBondContact O-OH 2.87Å; P44-Y270 HydrophobicContact CB-CD1 4.36Å; P44-Y270 HydrophobicContact CB-CD2 4.23Å; P44-Y270 HydrophobicContact CB-CE1 4.1Å; P44-Y270 HydrophobicContact CB-CE2 3.94Å; P44-Y270 HydrophobicContact CB-CG 4.43Å; P44-Y270 HydrophobicContact CG-CD2 3.73Å; P44-Y270 HydrophobicContact CG-CE2 3.74Å; P44-Y270 HydrophobicContact CG-CG 4.18Å; R47-Y270 PolarHBondContact NH2-OH 3.47Å; I267-Y270 WeakPolarHBondContact O-CB 3.28Å; I267-Y270 PolarHBondContact O-N 3.38Å; I267-Y270 VanDerWaalsContact O-N 3.1Å; N268-Y270 VanDerWaalsContact C-N 3.33Å; N268-Y270 PolarHBondContact O-N 3.43Å; Y270-L272 PolarHBondContact O-N 3.49Å; Y270-L273 CarbonylContact O-C 3.52Å; Y270-L273 PolarHBondContact O-N 3.01Å; Y270-N274 PolarHBondContact O-N 3.13Å; Y270-N274 VanDerWaalsContact O-N 3.08Å; Y270-L275 HydrophobicContact CD1-CB 3.93Å; Y270-L275 PolarHBondContact O-N 2.97Å; Y270-P276 VanDerWaalsContact CD1-O 3.28Å; Y270-P276 WeakPolarHBondContact CD1-O 3.39Å; Y270-Y277 AromaticContact CD1-CD2 3.99Å; Y270-Y277 HydrophobicContact CD1-CD2 3.99Å; Y270-Y277 AromaticContact CD2-CD2 3.45Å; Y270-Y277 HydrophobicContact CD2-CD2 3.45Å; Y270-Y277 VanDerWaalsContact CD2-CD2 3.45Å; Y270-Y277 AromaticContact CD2-CE2 3.8Å; Y270-Y277 HydrophobicContact CD2-CE2 3.8Å; Y270-Y277 HydrophobicContact CE1-CD2 4.14Å; Y270-Y277 AromaticContact CE2-CD2 3.62Å; Y270-Y277 HydrophobicContact CE2-CD2 3.62Å; Y270-Y277 AromaticContact CE2-CE2 3.59Å; Y270-Y277 HydrophobicContact CE2-CE2 3.59Å; Y270-Y277 AromaticContact CG-CD2 3.64Å; Y270-Y277 HydrophobicContact CG-CD2 3.64Å; Y270-Y277 HydrophobicContact CG-CE2 4.43Å; Y270-Y277 AromaticContact CZ-CD2 3.97Å
271H93.5Very high93.2Very high121 Ų12161.4 Ų61.456%0.5632%0.322SS*.Hα-helixtrans-59.9-45.7174.6-176.760.6000111.6I267 N268 K269 L273 N274I267-H271 PolarHBondContact O-N 2.9Å; N268-H271 WeakPolarHBondContact O-CB 3.31Å; N268-H271 PolarHBondContact O-N 3.09Å; N268-H271 VanDerWaalsContact O-N 3.17Å; K269-H271 VanDerWaalsContact C-N 3.35Å; H271-L273 PolarHBondContact O-N 3.34Å; H271-N274 PolarHBondContact O-N 3.17Å
272L94.9Very high93.1Very high24 Ų2466.6 Ų66.613%0.12634%0.339CS..Hα-helixtrans-60.3-31.4177.2-62.7-178.5000113.3L54 Y55 D56 R86 N268 K269 Y270L54-L272 WeakPolarHBondContact CA-O 3.48Å; L54-L272 HydrophobicContact CB-CB 4.14Å; L54-L272 HydrophobicContact CD2-CB 4.26Å; L54-L272 HydrophobicContact CD2-CD1 4.04Å; L54-L272 HydrophobicContact CG-CB 4.17Å; Y55-L272 PolarHBondContact N-O 3.07Å; Y55-L272 WeakPolarHBondContact O-CA 3.44Å; Y55-L272 VanDerWaalsContact O-CD2 3.28Å; Y55-L272 WeakPolarHBondContact O-CD2 3.33Å; D56-L272 HydrophobicContact CB-CD2 3.51Å; R86-L272 PolarHBondContact NH2-O 2.99Å; N268-L272 WeakPolarHBondContact O-CG 3.4Å; N268-L272 PolarHBondContact O-N 2.89Å; K269-L272 PolarHBondContact O-N 3.39Å; Y270-L272 PolarHBondContact O-N 3.49Å
273L94.3Very high93.1Very high8 Ų869.6 Ų69.64%0.04236%0.36CS..THydrogen-bonded Turntrans-88.8-2.6178.1-68.4167000113.5P44 E45 D52 L54 R86 K269 Y270 H271 L275P44-L273 HydrophobicContact CB-CD1 3.8Å; P44-L273 HydrophobicContact CG-CD1 3.75Å; E45-L273 HydrophobicContact CB-CD1 4.04Å; E45-L273 HydrophobicContact CB-CD2 4.45Å; D52-L273 HydrophobicContact CB-CD2 3.93Å; L54-L273 HydrophobicContact CD1-CD2 3.77Å; L54-L273 HydrophobicContact CG-CD2 4Å; L54-L273 HydrophobicContact CG-CG 4.42Å; R86-L273 PolarHBondContact NE-O 3.18Å; R86-L273 PolarHBondContact NH1-O 3.45Å; K269-L273 WeakPolarHBondContact O-CG 3.46Å; K269-L273 PolarHBondContact O-N 2.57Å; K269-L273 VanDerWaalsContact O-N 3.1Å; Y270-L273 CarbonylContact O-C 3.52Å; Y270-L273 PolarHBondContact O-N 3.01Å; H271-L273 PolarHBondContact O-N 3.34Å; L273-L275 VanDerWaalsContact C-N 3.29Å; L273-L275 HydrophobicContact CB-CB 4.49Å; L273-L275 HydrophobicContact CB-CD1 3.79Å; L273-L275 HydrophobicContact CB-CG 3.79Å; L273-L275 HydrophobicContact CD1-CD1 3.94Å; L273-L275 PolarHBondContact O-N 3.35Å
274N93.1Very high93.2Very high121 Ų12167.2 Ų67.265%0.64735%0.349SS*.THydrogen-bonded Turntrans54.544.2-170.6-164.745.5000112.6Y270 H271Y270-N274 PolarHBondContact O-N 3.13Å; Y270-N274 VanDerWaalsContact O-N 3.08Å; H271-N274 PolarHBondContact O-N 3.17Å
275L92.9Very high93.2Very high75 Ų7572.1 Ų72.139%0.39337%0.374SS..  trans-108.5145.6177.4-65.6176.3000110.8P44 Y270 L273P44-L275 HydrophobicContact CB-CD1 4.48Å; Y270-L275 HydrophobicContact CD1-CB 3.93Å; Y270-L275 PolarHBondContact O-N 2.97Å; L273-L275 VanDerWaalsContact C-N 3.29Å; L273-L275 HydrophobicContact CB-CB 4.49Å; L273-L275 HydrophobicContact CB-CD1 3.79Å; L273-L275 HydrophobicContact CB-CG 3.79Å; L273-L275 HydrophobicContact CD1-CD1 3.94Å; L273-L275 PolarHBondContact O-N 3.35Å
276P93.1Very high93.4Very high92 Ų9266.6 Ų66.660%0.59735%0.348SS*.  trans-65.5147.2171.329.1-34.2000110.8Y270Y270-P276 VanDerWaalsContact CD1-O 3.28Å; Y270-P276 WeakPolarHBondContact CD1-O 3.39Å
277Y93.7Very high93.4Very high48 Ų4870.4 Ų70.419%0.18837%0.372CS..  trans-111.9104175.1-169.9-100.8000110.2Y262 I267 Y270 A279Y262-Y277 PolarHBondContact OH-OH 2.98Å; I267-Y277 HydrophobicContact CD1-CD1 4.21Å; I267-Y277 HydrophobicContact CD1-CE1 3.74Å; I267-Y277 HydrophobicContact CG1-CD1 4.07Å; I267-Y277 HydrophobicContact CG1-CD2 4.38Å; I267-Y277 HydrophobicContact CG1-CE1 3.63Å; I267-Y277 HydrophobicContact CG1-CE2 3.98Å; I267-Y277 HydrophobicContact CG1-CG 4.43Å; I267-Y277 HydrophobicContact CG2-CD1 4.45Å; I267-Y277 HydrophobicContact CG2-CG 4.43Å; Y270-Y277 AromaticContact CD1-CD2 3.99Å; Y270-Y277 HydrophobicContact CD1-CD2 3.99Å; Y270-Y277 AromaticContact CD2-CD2 3.45Å; Y270-Y277 HydrophobicContact CD2-CD2 3.45Å; Y270-Y277 VanDerWaalsContact CD2-CD2 3.45Å; Y270-Y277 AromaticContact CD2-CE2 3.8Å; Y270-Y277 HydrophobicContact CD2-CE2 3.8Å; Y270-Y277 HydrophobicContact CE1-CD2 4.14Å; Y270-Y277 AromaticContact CE2-CD2 3.62Å; Y270-Y277 HydrophobicContact CE2-CD2 3.62Å; Y270-Y277 AromaticContact CE2-CE2 3.59Å; Y270-Y277 HydrophobicContact CE2-CE2 3.59Å; Y270-Y277 AromaticContact CG-CD2 3.64Å; Y270-Y277 HydrophobicContact CG-CD2 3.64Å; Y270-Y277 HydrophobicContact CG-CE2 4.43Å; Y270-Y277 AromaticContact CZ-CD2 3.97Å; Y277-A279 HydrophobicContact CE1-CB 3.76Å; Y277-A279 VanDerWaalsContact CE1-O 3.23Å; Y277-A279 WeakPolarHBondContact CE1-O 3.27Å; Y277-A279 HydrophobicContact CE2-CB 4.17Å; Y277-A279 VanDerWaalsContact CZ-CB 3.5Å; Y277-A279 VanDerWaalsContact OH-CB 3.27Å; Y277-A279 WeakPolarHBondContact OH-CB 3.36Å
278D90.8Very high93.2Very high97 Ų9775.9 Ų75.952%0.51940%0.397SS..  trans-10834.8-173.2-61.7-44.2000112.7R39R39-D278 WeakPolarHBondContact CD-O 3.45Å
279A92.8Very high93.2Very high13 Ų1373.9 Ų73.911%0.10739%0.385CS..SBendtrans-127171.2179.600000110.9R39 W40 Y277 E281R39-A279 HydrophobicContact CB-CB 4.05Å; R39-A279 WeakPolarHBondContact O-CB 3.37Å; W40-A279 HydrophobicContact CB-CB 3.94Å; Y277-A279 HydrophobicContact CE1-CB 3.76Å; Y277-A279 VanDerWaalsContact CE1-O 3.23Å; Y277-A279 WeakPolarHBondContact CE1-O 3.27Å; Y277-A279 HydrophobicContact CE2-CB 4.17Å; Y277-A279 VanDerWaalsContact CZ-CB 3.5Å; Y277-A279 VanDerWaalsContact OH-CB 3.27Å; Y277-A279 WeakPolarHBondContact OH-CB 3.36Å; A279-E281 PolarHBondContact O-N 2.81Å
280P92.8Very high93Very high27 Ų2773.8 Ų73.818%0.17539%0.387CS..  trans-56.3133.5-176.1-26.635.3000113.4I231 Q232 Y262 K282I231-P280 HydrophobicContact CG2-CG 4.02Å; Q232-P280 HydrophobicContact CB-CB 4.34Å; Q232-P280 HydrophobicContact CB-CG 3.83Å; Y262-P280 HydrophobicContact CD1-CB 4.23Å; Y262-P280 HydrophobicContact CE1-CB 3.87Å; Y262-P280 WeakPolarHBondContact CE1-O 3.43Å; Y262-P280 VanDerWaalsContact CZ-O 3.31Å; Y262-P280 PolarHBondContact OH-O 2.96Å; P280-K282 VanDerWaalsContact C-N 3.25Å; P280-K282 PolarHBondContact O-N 3.21Å
281E92.6Very high92.3Very high167 Ų16777.4 Ų77.478%0.7841%0.407SS*.SBendtrans-79.5-6.4-179.7-63-175.2166.400113.6T264 A279T264-E281 WeakPolarHBondContact CG2-O 3.34Å; A279-E281 PolarHBondContact O-N 2.81Å
282K93.4Very high92.1Very high166 Ų16674 Ų7472%0.72239%0.391SS*.SBendtrans-124.4146.6-178.6-64.3-176.5-178179.70110.7Y262 P280Y262-K282 VanDerWaalsContact CD1-O 3.32Å; Y262-K282 WeakPolarHBondContact CD1-O 3.49Å; Y262-K282 WeakPolarHBondContact CE1-O 3.42Å; P280-K282 VanDerWaalsContact C-N 3.25Å; P280-K282 PolarHBondContact O-N 3.21Å
283P94.2Very high91.8Very high73 Ų7372.8 Ų72.847%0.47439%0.385SS..  trans-54.7154.5169.6-21.833.3000111.4Y262 T264 D285Y262-P283 CarbonylContact O-C 3.53Å; Y262-P283 VanDerWaalsContact O-CA 3.23Å; Y262-P283 WeakPolarHBondContact O-CA 3.4Å; Y262-P283 WeakPolarHBondContact O-CB 3.34Å; T264-P283 HydrophobicContact CG2-CG 4.14Å; P283-D285 PolarHBondContact O-N 3.12Å
284L94.7Very high91.4Very high17 Ų1778.3 Ų78.39%0.08941%0.41CS..  trans-70.3117.9171.4-178.669.9000109.1L230 A236 P261 Y262 A286L230-L284 HydrophobicContact CB-CD2 3.52Å; L230-L284 HydrophobicContact CD1-CD2 4.26Å; A236-L284 HydrophobicContact CB-CD1 3.94Å; A236-L284 HydrophobicContact CB-CD2 4.1Å; P261-L284 HydrophobicContact CB-CB 4.49Å; Y262-L284 PolarHBondContact O-N 3.45Å; L284-A286 HydrophobicContact CD1-CB 3.93Å; L284-A286 HydrophobicContact CG-CB 4.05Å
285D93.7Very high90.7Very high145 Ų14577 Ų7778%0.77540%0.4SS*.  trans-116.287.5172.3-174.315.2000108.5P283P283-D285 PolarHBondContact O-N 3.12Å
286A92.5Very high90.3Very high24 Ų2474.9 Ų74.920%0.19839%0.387CS..  trans-145.667.7-17500000110.7L284 E288 L289 L290L284-A286 HydrophobicContact CD1-CB 3.93Å; L284-A286 HydrophobicContact CG-CB 4.05Å; A286-E288 VanDerWaalsContact C-N 3.29Å; A286-E288 PolarHBondContact O-N 3.39Å; A286-L289 HydrophobicContact CB-CB 3.92Å; A286-L289 HydrophobicContact CB-CD2 4.46Å; A286-L289 PolarHBondContact O-N 3.04Å; A286-L289 VanDerWaalsContact O-N 3.17Å; A286-L290 PolarHBondContact O-N 3.04Å; A286-L290 VanDerWaalsContact O-N 3.14Å
287P90.5Very high89.9Confident85 Ų8571.4 Ų71.455%0.55237%0.366SS*.Hα-helixtrans-59.9-37.8-176.523.7-33.6000112.8L289 L290 D291P287-L289 VanDerWaalsContact C-N 3.34Å; P287-L289 PolarHBondContact O-N 2.96Å; P287-L290 PolarHBondContact O-N 2.94Å; P287-D291 PolarHBondContact O-N 3.37Å
288E90.3Very high88.9Confident167 Ų16771.7 Ų71.778%0.7837%0.374SS*.Hα-helixtrans-61.7-40.6176.6-64.7178179.300112A286 D291 F292A286-E288 VanDerWaalsContact C-N 3.29Å; A286-E288 PolarHBondContact O-N 3.39Å; E288-D291 PolarHBondContact O-N 2.74Å; E288-F292 WeakPolarHBondContact O-CB 3.3Å; E288-F292 PolarHBondContact O-N 3.19Å
289L92.5Very high88.1Confident21 Ų2170.5 Ų70.511%0.1137%0.366CS..Hα-helixtrans-67.8-37.3176.9-178.767.2000111.7A236 E238 V241 A286 P287 F292 A293A236-L289 VanDerWaalsContact C-CD2 3.41Å; A236-L289 HydrophobicContact CB-CD2 3.96Å; E238-L289 HydrophobicContact CG-CD1 4.01Å; V241-L289 HydrophobicContact CG2-CD1 4.19Å; A286-L289 HydrophobicContact CB-CB 3.92Å; A286-L289 HydrophobicContact CB-CD2 4.46Å; A286-L289 PolarHBondContact O-N 3.04Å; A286-L289 VanDerWaalsContact O-N 3.17Å; P287-L289 VanDerWaalsContact C-N 3.34Å; P287-L289 PolarHBondContact O-N 2.96Å; L289-F292 HydrophobicContact CD1-CD1 4.39Å; L289-A293 VanDerWaalsContact O-CB 3.25Å; L289-A293 WeakPolarHBondContact O-CB 3.21Å; L289-A293 PolarHBondContact O-N 3.35Å
290L90.4Very high87.2Confident53 Ų5373.3 Ų73.328%0.27738%0.376SS..Hα-helixtrans-68.3-41.1177.8-66.7173.4000111.6L230 P261 A286 P287 A293 Q294L230-L290 HydrophobicContact CD1-CD2 3.63Å; P261-L290 HydrophobicContact CG-CD1 3.81Å; P261-L290 HydrophobicContact CG-CD2 3.9Å; A286-L290 PolarHBondContact O-N 3.04Å; A286-L290 VanDerWaalsContact O-N 3.14Å; P287-L290 PolarHBondContact O-N 2.94Å; L290-A293 PolarHBondContact O-N 3.17Å; L290-Q294 WeakPolarHBondContact O-CB 3.49Å; L290-Q294 PolarHBondContact O-N 2.94Å
291D82Confident86Confident81 Ų8174.1 Ų74.143%0.43339%0.388SS..Hα-helixtrans-63.2-47173.5-174.243.7000110.7P287 E288 A293 Q294 Q295P287-D291 PolarHBondContact O-N 3.37Å; E288-D291 PolarHBondContact O-N 2.74Å; D291-A293 PolarHBondContact O-N 3.21Å; D291-Q294 PolarHBondContact O-N 2.81Å; D291-Q295 WeakPolarHBondContact O-CB 3.35Å; D291-Q295 VanDerWaalsContact O-CG 3.24Å; D291-Q295 WeakPolarHBondContact O-CG 3.19Å; D291-Q295 PolarHBondContact O-N 2.89Å; D291-Q295 PolarHBondContact OD1-NE2 2.79Å; D291-Q295 PolarHBondContact OD2-NE2 3.15Å
292F88.9Confident85.2Confident49 Ų4971 Ų7122%0.21538%0.377CS..Hα-helixtrans-54.8-49.3172.5171.6-93.8000111.9E238 V241 E288 L289 Q294 Q295 Y296E238-F292 HydrophobicContact CB-CD1 4.13Å; E238-F292 HydrophobicContact CB-CE1 3.64Å; E238-F292 HydrophobicContact CB-CZ 3.86Å; E238-F292 HydrophobicContact CG-CD1 3.75Å; E238-F292 HydrophobicContact CG-CD2 4.3Å; E238-F292 HydrophobicContact CG-CE1 3.78Å; E238-F292 HydrophobicContact CG-CE2 4.32Å; E238-F292 HydrophobicContact CG-CG 4.02Å; E238-F292 HydrophobicContact CG-CZ 4.07Å; V241-F292 HydrophobicContact CB-CE1 4.3Å; V241-F292 HydrophobicContact CG1-CD1 4.06Å; V241-F292 HydrophobicContact CG1-CE1 3.92Å; E288-F292 WeakPolarHBondContact O-CB 3.3Å; E288-F292 PolarHBondContact O-N 3.19Å; L289-F292 HydrophobicContact CD1-CD1 4.39Å; F292-Q294 PolarHBondContact O-N 3.47Å; F292-Q295 PolarHBondContact O-N 2.93Å; F292-Y296 HydrophobicContact CZ-CD2 4.44Å; F292-Y296 HydrophobicContact CZ-CG 4.42Å; F292-Y296 VanDerWaalsContact O-CB 3.23Å; F292-Y296 WeakPolarHBondContact O-CB 3.36Å; F292-Y296 PolarHBondContact O-N 2.9Å
293A89.7Confident84.7Confident0 Ų065.1 Ų65.10%035%0.35CS..Hα-helixtrans-62.3-43.2-178.500000111.8V241 F259 L289 L290 D291 A297V241-A293 HydrophobicContact CG1-CB 3.53Å; V241-A293 HydrophobicContact CG2-CB 4.46Å; F259-A293 HydrophobicContact CD1-CB 4.22Å; F259-A293 HydrophobicContact CD2-CB 3.64Å; F259-A293 HydrophobicContact CE1-CB 4.25Å; F259-A293 HydrophobicContact CE2-CB 3.68Å; F259-A293 WeakPolarHBondContact CE2-O 3.43Å; F259-A293 HydrophobicContact CG-CB 3.92Å; F259-A293 HydrophobicContact CZ-CB 3.99Å; L289-A293 VanDerWaalsContact O-CB 3.25Å; L289-A293 WeakPolarHBondContact O-CB 3.21Å; L289-A293 PolarHBondContact O-N 3.35Å; L290-A293 PolarHBondContact O-N 3.17Å; D291-A293 PolarHBondContact O-N 3.21Å; A293-A297 VanDerWaalsContact O-CB 3.25Å; A293-A297 WeakPolarHBondContact O-CB 3.37Å; A293-A297 PolarHBondContact O-N 2.88Å
294Q85.3Confident84.4Confident124 Ų12462.8 Ų62.858%0.57933%0.333SS*.Hα-helixtrans-64.4-48.1176.7-178.1176.27.700111.4L290 D291 F292 A297 C298L290-Q294 WeakPolarHBondContact O-CB 3.49Å; L290-Q294 PolarHBondContact O-N 2.94Å; D291-Q294 PolarHBondContact O-N 2.81Å; F292-Q294 PolarHBondContact O-N 3.47Å; Q294-A297 PolarHBondContact O-N 3.46Å; Q294-C298 WeakPolarHBondContact O-CB 3.36Å; Q294-C298 PolarHBondContact O-N 2.93Å; Q294-C298 PolarHBondContact O-SG 3.09Å
295Q78.3Confident83.8Confident94 Ų9466.8 Ų66.844%0.43935%0.35SS..Hα-helixtrans-61.3-50.1179.2-72.3176.316.200110.6D291 F292 A297 C298 Q299D291-Q295 WeakPolarHBondContact O-CB 3.35Å; D291-Q295 VanDerWaalsContact O-CG 3.24Å; D291-Q295 WeakPolarHBondContact O-CG 3.19Å; D291-Q295 PolarHBondContact O-N 2.89Å; D291-Q295 PolarHBondContact OD1-NE2 2.79Å; D291-Q295 PolarHBondContact OD2-NE2 3.15Å; F292-Q295 PolarHBondContact O-N 2.93Å; Q295-A297 VanDerWaalsContact C-N 3.35Å; Q295-A297 PolarHBondContact O-N 2.94Å; Q295-C298 PolarHBondContact O-N 2.96Å; Q295-C298 VanDerWaalsContact O-N 3.15Å; Q295-Q299 VanDerWaalsContact O-CG 3.22Å; Q295-Q299 WeakPolarHBondContact O-CG 3.43Å; Q295-Q299 PolarHBondContact O-N 2.89Å
296Y83.9Confident83.1Confident30 Ų3061.1 Ų61.112%0.11832%0.324CS..Hα-helixtrans-62.2-40.8-179.2-166.7-98.6000112.1K242 T245 D246 F292 Q299 K300K242-Y296 HydrophobicContact CB-CD1 4.48Å; K242-Y296 HydrophobicContact CB-CE1 4.09Å; K242-Y296 HydrophobicContact CD-CE1 4.46Å; K242-Y296 HydrophobicContact CD-CE2 4.2Å; K242-Y296 WeakPolarHBondContact CE-OH 3.45Å; K242-Y296 HydrophobicContact CG-CE1 3.7Å; K242-Y296 HydrophobicContact CG-CE2 4.31Å; T245-Y296 HydrophobicContact CG2-CD1 3.77Å; T245-Y296 HydrophobicContact CG2-CE1 4.1Å; D246-Y296 VanDerWaalsContact OD1-CE1 3.31Å; D246-Y296 WeakPolarHBondContact OD1-CE1 3.15Å; D246-Y296 PolarHBondContact OD1-OH 3.4Å; F292-Y296 HydrophobicContact CZ-CD2 4.44Å; F292-Y296 HydrophobicContact CZ-CG 4.42Å; F292-Y296 VanDerWaalsContact O-CB 3.23Å; F292-Y296 WeakPolarHBondContact O-CB 3.36Å; F292-Y296 PolarHBondContact O-N 2.9Å; Y296-Q299 WeakPolarHBondContact O-CB 3.28Å; Y296-Q299 PolarHBondContact O-N 3.02Å; Y296-K300 HydrophobicContact CE1-CG 4.38Å; Y296-K300 PolarHBondContact O-N 3.11Å
297A84.1Confident83Confident18 Ų1860 Ų6015%0.14931%0.314CS..Hα-helixtrans-66-39173.800000113.2T245 I257 F259 A293 Q294 Q295 Q299 K300 G301T245-A297 HydrophobicContact CG2-CB 3.86Å; I257-A297 HydrophobicContact CG2-CB 3.76Å; F259-A297 HydrophobicContact CE2-CB 4.1Å; A293-A297 VanDerWaalsContact O-CB 3.25Å; A293-A297 WeakPolarHBondContact O-CB 3.37Å; A293-A297 PolarHBondContact O-N 2.88Å; Q294-A297 PolarHBondContact O-N 3.46Å; Q295-A297 VanDerWaalsContact C-N 3.35Å; Q295-A297 PolarHBondContact O-N 2.94Å; A297-Q299 VanDerWaalsContact C-N 3.32Å; A297-Q299 PolarHBondContact O-N 3.26Å; A297-K300 PolarHBondContact O-N 2.9Å; A297-G301 PolarHBondContact O-N 3.3Å; A297-G301 VanDerWaalsContact O-N 3.08Å
298C74.3Confident83Confident54 Ų5461.4 Ų61.437%0.36531%0.312SS..Hα-helixtrans-64.4-37.7175.2-71.40000111.9Q294 Q295 K300 G301 A306Q294-C298 WeakPolarHBondContact O-CB 3.36Å; Q294-C298 PolarHBondContact O-N 2.93Å; Q294-C298 PolarHBondContact O-SG 3.09Å; Q295-C298 PolarHBondContact O-N 2.96Å; Q295-C298 VanDerWaalsContact O-N 3.15Å; C298-K300 PolarHBondContact O-N 2.72Å; C298-G301 PolarHBondContact O-N 3.38Å; C298-A306 HydrophobicContact CB-CB 3.92Å
299Q73.6Confident82.8Confident73 Ų7356.6 Ų56.634%0.34129%0.291SS..Hα-helixtrans-63.8-28.7176.3-69.217010.100112.9Q295 Y296 A297Q295-Q299 VanDerWaalsContact O-CG 3.22Å; Q295-Q299 WeakPolarHBondContact O-CG 3.43Å; Q295-Q299 PolarHBondContact O-N 2.89Å; Y296-Q299 WeakPolarHBondContact O-CB 3.28Å; Y296-Q299 PolarHBondContact O-N 3.02Å; A297-Q299 VanDerWaalsContact C-N 3.32Å; A297-Q299 PolarHBondContact O-N 3.26Å
300K74.1Confident82.4Confident72 Ų7257.4 Ų57.431%0.31330%0.301SS..Hα-helixtrans-85.5-16.2174.2-73.1-68.6-167.31540113.5T245 D246 A249 D250 Y296 A297 C298T245-K300 HydrophobicContact CG2-CB 4.4Å; T245-K300 HydrophobicContact CG2-CG 4.19Å; D246-K300 WeakPolarHBondContact OD1-CE 3.37Å; D246-K300 IonicContact OD1-NZ 2.69Å; D246-K300 PolarHBondContact OD1-NZ 3.27Å; D246-K300 VanDerWaalsContact OD1-NZ 3.13Å; A249-K300 HydrophobicContact CB-CB 3.68Å; A249-K300 HydrophobicContact CB-CD 4.33Å; A249-K300 HydrophobicContact CB-CG 4.24Å; D250-K300 IonicContact OD1-NZ 2.86Å; D250-K300 PolarHBondContact OD1-NZ 3Å; D250-K300 IonicContact OD2-NZ 2.55Å; D250-K300 PolarHBondContact OD2-NZ 3.32Å; Y296-K300 HydrophobicContact CE1-CG 4.38Å; Y296-K300 PolarHBondContact O-N 3.11Å; A297-K300 PolarHBondContact O-N 2.9Å; C298-K300 PolarHBondContact O-N 2.72Å
301G67.1Low82.5Confident43 Ų4355.1 Ų55.144%0.44329%0.289SS..SBendtrans-80.1-177.3178.400000112.7A297 C298 R303A297-G301 PolarHBondContact O-N 3.3Å; A297-G301 VanDerWaalsContact O-N 3.08Å; C298-G301 PolarHBondContact O-N 3.38Å; G301-R303 PolarHBondContact O-N 3.33Å
302D74.9Confident82.8Confident101 Ų10155 Ų5554%0.5429%0.291SS..  trans-65.1115.4168.4178.4-49.8000109.3I304 K305 A306D302-I304 PolarHBondContact O-N 2.96Å; D302-I304 WeakPolarHBondContact OD1-CA 3.35Å; D302-I304 WeakPolarHBondContact OD1-CB 3.22Å; D302-I304 PolarHBondContact OD1-N 2.81Å; D302-K305 HydrophobicContact CB-CB 3.81Å; D302-K305 WeakPolarHBondContact O-CB 3.27Å; D302-K305 PolarHBondContact O-N 2.98Å; D302-K305 PolarHBondContact OD1-N 3.22Å; D302-A306 PolarHBondContact O-N 3.29Å
303R84.1Confident82.7Confident43 Ų4359.5 Ų59.516%0.16231%0.312CS..Hα-helixtrans-45.4-49.7179.2-176.7-154.6-52.3-1052.3111.7G301 A306 H307 D361 E533 E605G301-R303 PolarHBondContact O-N 3.33Å; R303-A306 PolarHBondContact O-N 3Å; R303-H307 WeakPolarHBondContact O-CB 3.29Å; R303-H307 PolarHBondContact O-N 3.2Å; R303-D361 VanDerWaalsContact CD-O 3.3Å; R303-D361 WeakPolarHBondContact CD-O 3.48Å; R303-D361 HydrophobicContact CG-CB 4.25Å; R303-D361 PolarHBondContact NH1-O 3.31Å; R303-E533 IonicContact CZ-OE1 3.34Å; R303-E533 IonicContact CZ-OE2 3.15Å; R303-E533 VanDerWaalsContact NH1-CD 3.31Å; R303-E533 IonicContact NH1-OE1 3.69Å; R303-E533 PolarHBondContact NH1-OE1 3.15Å; R303-E533 IonicContact NH1-OE2 2.86Å; R303-E533 PolarHBondContact NH1-OE2 3.29Å; R303-E533 IonicContact NH2-OE1 3.17Å; R303-E533 PolarHBondContact NH2-OE1 2.86Å; R303-E533 IonicContact NH2-OE2 3.6Å; R303-E605 WeakPolarHBondContact CD-OE1 3.31Å; R303-E605 IonicContact CZ-OE1 2.67Å; R303-E605 IonicContact NE-OE1 2.67Å; R303-E605 PolarHBondContact NE-OE1 2.81Å; R303-E605 IonicContact NE-OE2 3.85Å; R303-E605 IonicContact NH2-OE1 3.76Å; R303-E605 IonicContact NH2-OE2 2.71Å
304I87.1Confident82.5Confident24 Ų2461.9 Ų61.912%0.12333%0.325CS..Hα-helixtrans-67.6-41.2-176.6-59.6-52.9000110.5D302 K308 E605 H608 L612D302-I304 PolarHBondContact O-N 2.96Å; D302-I304 WeakPolarHBondContact OD1-CA 3.35Å; D302-I304 WeakPolarHBondContact OD1-CB 3.22Å; D302-I304 PolarHBondContact OD1-N 2.81Å; I304-K308 WeakPolarHBondContact O-CB 3.02Å; I304-K308 PolarHBondContact O-N 3.48Å; I304-E605 HydrophobicContact CD1-CG 3.97Å; I304-E605 HydrophobicContact CG1-CG 3.96Å; I304-H608 HydrophobicContact CB-CB 4.41Å; I304-H608 HydrophobicContact CD1-CB 3.54Å; I304-H608 HydrophobicContact CG1-CB 3.72Å; I304-H608 HydrophobicContact CG2-CB 3.79Å; I304-L612 HydrophobicContact CD1-CD1 4.38Å; I304-L612 HydrophobicContact CG2-CD1 4.03Å
305K82.3Confident82.5Confident102 Ų10262.1 Ų62.144%0.44333%0.334SS..Hα-helixtrans-65.2-43.7177.2-167.5-177.3178.1-167.40111.6G255 D302 N309G255-K305 PolarHBondContact O-NZ 3.28Å; D302-K305 HydrophobicContact CB-CB 3.81Å; D302-K305 WeakPolarHBondContact O-CB 3.27Å; D302-K305 PolarHBondContact O-N 2.98Å; D302-K305 PolarHBondContact OD1-N 3.22Å; K305-N309 WeakPolarHBondContact O-CB 3.28Å; K305-N309 PolarHBondContact O-N 2.93Å; K305-N309 PolarHBondContact O-ND2 2.87Å
306A80.3Confident82.9Confident26 Ų2662.7 Ų62.722%0.21534%0.335CS..Hα-helixtrans-62-49.7177.500000111.3C298 D302 R303 N309 A310C298-A306 HydrophobicContact CB-CB 3.92Å; D302-A306 PolarHBondContact O-N 3.29Å; R303-A306 PolarHBondContact O-N 3Å; A306-N309 PolarHBondContact O-N 3.49Å; A306-A310 PolarHBondContact O-N 2.98Å
307H88.8Confident83.3Confident1 Ų161.9 Ų61.91%0.00533%0.334CS..Hα-helixtrans-61.9-47.2177.4-172.3176.1000111.3R303 N309 A310 L311 H360 L612 E616R303-H307 WeakPolarHBondContact O-CB 3.29Å; R303-H307 PolarHBondContact O-N 3.2Å; H307-N309 VanDerWaalsContact C-N 3.32Å; H307-N309 PolarHBondContact O-N 3.42Å; H307-A310 WeakPolarHBondContact O-CB 3.4Å; H307-A310 PolarHBondContact O-N 2.9Å; H307-A310 VanDerWaalsContact O-N 3.17Å; H307-L311 WeakPolarHBondContact O-CG 3.42Å; H307-L311 PolarHBondContact O-N 3.09Å; H307-L311 VanDerWaalsContact O-N 3.15Å; H307-H360 HydrophobicContact CB-CB 3.78Å; H307-H360 AromaticContact CD2-CG 3.5Å; H307-H360 VanDerWaalsContact CD2-CG 3.5Å; H307-H360 AromaticContact CD2-ND1 3.21Å; H307-H360 PolarHBondContact CD2-ND1 3.32Å; H307-H360 VanDerWaalsContact CG-CB 3.45Å; H307-H360 AromaticContact CG-CG 3.97Å; H307-H360 AromaticContact NE2-CG 3.85Å; H307-H360 AromaticContact NE2-ND1 3.21Å; H307-H360 PolarHBondContact NE2-ND1 2.74Å; H307-L612 HydrophobicContact CB-CD1 3.63Å; H307-E616 IonicContact CD2-OE1 3.55Å; H307-E616 IonicContact CE1-OE1 2.65Å; H307-E616 PolarHBondContact CE1-OE1 3.13Å; H307-E616 IonicContact NE2-OE1 3.7Å; H307-E616 PolarHBondContact NE2-OE1 2.73Å
308K90.6Very high83.9Confident114 Ų11461.9 Ų61.950%0.49633%0.332SS..Hα-helixtrans-54.2-47.9174.6-179.4179.5175.1178.70112.1I304 L311 V312 L612I304-K308 WeakPolarHBondContact O-CB 3.02Å; I304-K308 PolarHBondContact O-N 3.48Å; K308-L311 PolarHBondContact O-N 2.88Å; K308-V312 HydrophobicContact CG-CG1 4.33Å; K308-V312 WeakPolarHBondContact O-CG2 3.42Å; K308-V312 PolarHBondContact O-N 3.18Å; K308-L612 HydrophobicContact CB-CD1 4.47Å; K308-L612 HydrophobicContact CB-CD2 3.84Å; K308-L612 HydrophobicContact CG-CD2 4.27Å
309N85.8Confident84.8Confident65 Ų6559.6 Ų59.635%0.34832%0.317SS..Hα-helixtrans-62.2-43.6-180-75.3-11.8000111.3K305 A306 H307 L311 V312 H313K305-N309 WeakPolarHBondContact O-CB 3.28Å; K305-N309 PolarHBondContact O-N 2.93Å; K305-N309 PolarHBondContact O-ND2 2.87Å; A306-N309 PolarHBondContact O-N 3.49Å; H307-N309 VanDerWaalsContact C-N 3.32Å; H307-N309 PolarHBondContact O-N 3.42Å; N309-L311 PolarHBondContact O-N 3.24Å; N309-V312 PolarHBondContact O-N 2.98Å; N309-H313 WeakPolarHBondContact O-CB 3.34Å; N309-H313 PolarHBondContact O-CD2 3.4Å; N309-H313 PolarHBondContact O-N 3.42Å; N309-H313 VanDerWaalsContact O-N 3.16Å
310A85.5Confident86Confident38 Ų3856.1 Ų56.131%0.31430%0.301SS..Hα-helixtrans-56.4-35.9176.300000112.3A306 H307 I314A306-A310 PolarHBondContact O-N 2.98Å; H307-A310 WeakPolarHBondContact O-CB 3.4Å; H307-A310 PolarHBondContact O-N 2.9Å; H307-A310 VanDerWaalsContact O-N 3.17Å; A310-I314 WeakPolarHBondContact O-CG1 3.31Å
311L91.4Very high87.1Confident5 Ų553 Ų533%0.02629%0.288CS..Hα-helixtrans-78-48.8178.4-57.5-176.5000113.1H307 K308 N309 H313 I314 V372 R373 L612 L615 E616H307-L311 WeakPolarHBondContact O-CG 3.42Å; H307-L311 PolarHBondContact O-N 3.09Å; H307-L311 VanDerWaalsContact O-N 3.15Å; K308-L311 PolarHBondContact O-N 2.88Å; N309-L311 PolarHBondContact O-N 3.24Å; L311-H313 PolarHBondContact O-N 2.91Å; L311-I314 PolarHBondContact O-N 2.86Å; L311-I314 VanDerWaalsContact O-N 3.15Å; L311-V372 HydrophobicContact CD2-CG1 3.43Å; L311-V372 VanDerWaalsContact CD2-CG1 3.43Å; L311-R373 HydrophobicContact CD2-CG 4.31Å; L311-L612 HydrophobicContact CD1-CB 4.13Å; L311-L612 HydrophobicContact CD1-CD2 4.29Å; L311-L612 WeakPolarHBondContact CD1-O 3.5Å; L311-L615 HydrophobicContact CB-CD2 4.04Å; L311-L615 HydrophobicContact CD1-CB 4.22Å; L311-L615 HydrophobicContact CD1-CD2 4Å; L311-L615 HydrophobicContact CD1-CG 4.23Å; L311-E616 HydrophobicContact CD1-CG 3.78Å; L311-E616 HydrophobicContact CD2-CG 3.53Å; L311-E616 HydrophobicContact CG-CG 4.31Å
312V89.8Confident88.6Confident80 Ų8052.5 Ų52.549%0.48527%0.274SS..Hα-helixtrans-72.5-16.5-173.4-58.50000113.6K308 N309 I314 L615K308-V312 HydrophobicContact CG-CG1 4.33Å; K308-V312 WeakPolarHBondContact O-CG2 3.42Å; K308-V312 PolarHBondContact O-N 3.18Å; N309-V312 PolarHBondContact O-N 2.98Å; V312-I314 VanDerWaalsContact C-N 3.33Å; V312-L615 HydrophobicContact CG1-CD2 4.45Å
313H85.4Confident89.7Confident142 Ų14247.7 Ų47.766%0.65725%0.248SC*.THydrogen-bonded Turntrans-82.1-6.9173.4-76.9-61.4000113.8N309 L311 V315N309-H313 WeakPolarHBondContact O-CB 3.34Å; N309-H313 PolarHBondContact O-CD2 3.4Å; N309-H313 PolarHBondContact O-N 3.42Å; N309-H313 VanDerWaalsContact O-N 3.16Å; L311-H313 PolarHBondContact O-N 2.91Å; H313-V315 PolarHBondContact O-N 3.31Å
314I86.7Confident90.4Very high50 Ų5045.7 Ų45.726%0.25624%0.24SC..  trans-78.889.5173.6-58.5171.4000109.1A310 L311 V312 P317 V372 R373A310-I314 WeakPolarHBondContact O-CG1 3.31Å; L311-I314 PolarHBondContact O-N 2.86Å; L311-I314 VanDerWaalsContact O-N 3.15Å; V312-I314 VanDerWaalsContact C-N 3.33Å; I314-P317 HydrophobicContact CG2-CB 4.23Å; I314-P317 HydrophobicContact CG2-CG 4.24Å; I314-V372 HydrophobicContact CD1-CB 4Å; I314-V372 HydrophobicContact CD1-CG1 3.57Å; I314-R373 HydrophobicContact CD1-CB 3.96Å; I314-R373 HydrophobicContact CD1-CG 3.99Å; I314-R373 HydrophobicContact CG2-CB 4.31Å
315V84.4Confident91Very high129 Ų12947.1 Ų47.178%0.78225%0.246SC*.SBendtrans-78.3-32.7-177.5-178.20000112.7H313H313-V315 PolarHBondContact O-N 3.31Å
316K87.5Confident91.8Very high106 Ų10643.4 Ų43.446%0.46123%0.231SC..SBendtrans-122.690175.4-68.8-168.6-177.3-163.40108.9A394 D395K316-A394 WeakPolarHBondContact CE-O 3.4Å; K316-A394 PolarHBondContact NZ-O 2.98Å; K316-D395 IonicContact NZ-OD1 3.12Å
317P92.6Very high92.6Very high13 Ų1342.3 Ų42.38%0.08422%0.221CC..  trans-60.9145.6-178.8-20.632000111.8I314 R373 F401 A402I314-P317 HydrophobicContact CG2-CB 4.23Å; I314-P317 HydrophobicContact CG2-CG 4.24Å; P317-R373 HydrophobicContact CB-CB 4.4Å; P317-R373 WeakPolarHBondContact CB-O 3.45Å; P317-F401 HydrophobicContact CB-CD1 4.02Å; P317-F401 HydrophobicContact CB-CE1 3.93Å; P317-F401 HydrophobicContact CG-CE1 4.37Å; P317-F401 CarbonylContact O-C 3.6Å; P317-F401 VanDerWaalsContact O-CA 3.29Å; P317-F401 WeakPolarHBondContact O-CA 3.19Å; P317-F401 VanDerWaalsContact O-CD1 3.31Å; P317-F401 WeakPolarHBondContact O-CD1 3.4Å; P317-A402 PolarHBondContact O-N 2.83Å
318P94.7Very high93.1Very high18 Ų1842.6 Ų42.612%0.11722%0.223CC..BIsolated β-bridgetrans-76.1168.1177.826.9-28.6000112.4E371 A374 A375 A402P318-E371 WeakPolarHBondContact CB-OE2 3.37Å; P318-E371 HydrophobicContact CG-CB 3.79Å; P318-E371 WeakPolarHBondContact CG-OE2 3.38Å; P318-A374 HydrophobicContact CB-CB 4.33Å; P318-A374 HydrophobicContact CG-CB 3.71Å; P318-A374 CarbonylContact O-C 3.57Å; P318-A374 WeakPolarHBondContact O-CA 3.45Å; P318-A375 PolarHBondContact O-N 2.96Å; P318-A402 CarbonylContact C-O 3.58Å; P318-A402 WeakPolarHBondContact CA-O 2.83Å
319V94.7Very high93.5Very high6 Ų640.5 Ų40.54%0.03622%0.215CC..EExtended strand (participates in β ladder)trans-104.7142169.3173.40000109.7A375 I377 F401 A402 V403 N407V319-A375 WeakPolarHBondContact CA-O 3.45Å; V319-I377 HydrophobicContact CG1-CD1 3.81Å; V319-I377 HydrophobicContact CG1-CG1 3.57Å; V319-F401 HydrophobicContact CG2-CB 3.93Å; V319-F401 HydrophobicContact CG2-CD1 4.24Å; V319-F401 HydrophobicContact CG2-CG 4.34Å; V319-A402 PolarHBondContact N-O 3.4Å; V319-A402 VanDerWaalsContact N-O 3.12Å; V319-V403 HydrophobicContact CB-CG2 4.33Å; V319-V403 HydrophobicContact CG2-CG2 3.81Å; V319-N407 PolarHBondContact O-ND2 3.14Å
320C97.5Very high94.1Very high1 Ų138.1 Ų38.11%0.00720%0.202CC..EExtended strand (participates in β ladder)trans-114129.8174.71790000110.9A369 S370 A374 A375 P376 I377C320-A369 HydrophobicContact CB-CB 3.62Å; C320-S370 PolarHBondContact SG-N 3.31Å; C320-S370 VanDerWaalsContact SG-N 3.45Å; C320-S370 PolarHBondContact SG-OG 2.92Å; C320-A374 HydrophobicContact CB-CB 4.14Å; C320-A375 PolarHBondContact N-O 2.89Å; C320-P376 WeakPolarHBondContact O-CA 3.38Å; C320-I377 PolarHBondContact O-N 3.39Å; C320-I377 VanDerWaalsContact O-N 3.12Å
321T97.9Very high94.7Very high7 Ų737.1 Ų37.14%0.04319%0.19CC..  trans-105.6-8.7-175.355.20000114.1R323 A324 Q325 N407 V410 L411T321-R323 VanDerWaalsContact C-N 3.28Å; T321-R323 PolarHBondContact O-N 3.12Å; T321-A324 WeakPolarHBondContact O-CB 3.3Å; T321-A324 PolarHBondContact O-N 3.29Å; T321-Q325 PolarHBondContact O-N 3.5Å; T321-N407 HydrophobicContact CG2-CB 3.79Å; T321-N407 VanDerWaalsContact CG2-OD1 3.29Å; T321-N407 WeakPolarHBondContact CG2-OD1 3.36Å; T321-N407 PolarHBondContact OG1-OD1 3.17Å; T321-V410 HydrophobicContact CG2-CB 4.42Å; T321-V410 HydrophobicContact CG2-CG1 4.19Å; T321-L411 HydrophobicContact CG2-CD1 3.95Å; T321-L411 HydrophobicContact CG2-CD2 4.03Å; T321-L411 HydrophobicContact CG2-CG 3.71Å
322E98.8Very high95.1Very high31 Ų3141.3 Ų41.315%0.14521%0.21CC..Hα-helixtrans-54.3-42.6-178.8-65.7-175.1171.300112.6Q325 H326 R354 T355E322-Q325 PolarHBondContact O-N 2.7Å; E322-H326 WeakPolarHBondContact O-CB 3.26Å; E322-H326 PolarHBondContact O-CD2 3.26Å; E322-H326 PolarHBondContact O-N 3.14Å; E322-H326 PolarHBondContact O-ND1 2.93Å; E322-R354 WeakPolarHBondContact OE2-CA 3.36Å; E322-R354 WeakPolarHBondContact OE2-CB 3.25Å; E322-R354 IonicContact OE2-NH1 2.82Å; E322-T355 WeakPolarHBondContact OE1-CB 3.23Å; E322-T355 PolarHBondContact OE1-OG1 3.15Å; E322-T355 PolarHBondContact OE2-N 2.82Å
323R98.7Very high95.5Very high1 Ų143.3 Ų43.30%0.00421%0.213CC..Hα-helixtrans-62.3-47.2177.8-170.9-168174.9-82.43.7111.2T321 Q325 H326 Y327 H350 P376 F378 E380 I568 E569T321-R323 VanDerWaalsContact C-N 3.28Å; T321-R323 PolarHBondContact O-N 3.12Å; R323-Q325 VanDerWaalsContact C-N 3.31Å; R323-Q325 PolarHBondContact O-N 2.71Å; R323-H326 PolarHBondContact O-N 2.81Å; R323-Y327 HydrophobicContact CG-CD2 3.77Å; R323-Y327 HydrophobicContact CG-CE2 3.85Å; R323-Y327 HydrophobicContact CG-CG 4.48Å; R323-Y327 VanDerWaalsContact O-CB 3.29Å; R323-Y327 WeakPolarHBondContact O-CB 3.48Å; R323-Y327 WeakPolarHBondContact O-CD2 3.38Å; R323-Y327 PolarHBondContact O-N 3.34Å; R323-H350 WeakPolarHBondContact CA-CE1 3.45Å; R323-H350 WeakPolarHBondContact CA-ND1 3.46Å; R323-H350 PolarHBondContact N-CE1 3.06Å; R323-P376 HydrophobicContact CB-CB 4.26Å; R323-F378 VanDerWaalsContact CZ-CE1 3.42Å; R323-F378 VanDerWaalsContact NE-CD1 3.26Å; R323-F378 VanDerWaalsContact NH1-CD1 3.28Å; R323-F378 VanDerWaalsContact NH2-CD1 3.31Å; R323-E380 IonicContact CZ-OE1 3.69Å; R323-E380 IonicContact CZ-OE2 2.82Å; R323-E380 IonicContact NH1-OE1 3.11Å; R323-E380 PolarHBondContact NH1-OE1 3.18Å; R323-E380 IonicContact NH1-OE2 3.45Å; R323-E380 PolarHBondContact NH1-OE2 2.75Å; R323-E380 IonicContact NH2-OE1 3.51Å; R323-E380 PolarHBondContact NH2-OE1 3.44Å; R323-E380 IonicContact NH2-OE2 3Å; R323-I568 WeakPolarHBondContact CD-O 3.4Å; R323-I568 PolarHBondContact NE-O 2.92Å; R323-E569 PolarHBondContact NH2-O 3.08Å
324A98.5Very high96.1Very high0 Ų038.5 Ų38.50%019%0.191CC..Hα-helixtrans-61.2-42179.700000111T321 T328 I377 P379 L411 V414T321-A324 WeakPolarHBondContact O-CB 3.3Å; T321-A324 PolarHBondContact O-N 3.29Å; A324-T328 VanDerWaalsContact O-CB 3.25Å; A324-T328 WeakPolarHBondContact O-CB 3.43Å; A324-T328 PolarHBondContact O-N 3.01Å; A324-T328 PolarHBondContact O-OG1 3.5Å; A324-I377 HydrophobicContact CB-CB 4.01Å; A324-I377 HydrophobicContact CB-CG2 4Å; A324-P379 HydrophobicContact CB-CG 4.03Å; A324-L411 HydrophobicContact CB-CD2 4.44Å; A324-V414 HydrophobicContact CB-CG1 4.19Å
325Q98.7Very high96.7Very high54 Ų5440.6 Ų40.625%0.25220%0.203SC..Hα-helixtrans-62.6-58.4175.1-69.5174.9-62.400111.7T321 E322 R323 Y327 T328 E329 V410 V414T321-Q325 PolarHBondContact O-N 3.5Å; E322-Q325 PolarHBondContact O-N 2.7Å; R323-Q325 VanDerWaalsContact C-N 3.31Å; R323-Q325 PolarHBondContact O-N 2.71Å; Q325-Y327 VanDerWaalsContact C-N 3.3Å; Q325-Y327 PolarHBondContact O-N 3.36Å; Q325-T328 WeakPolarHBondContact O-CB 3.44Å; Q325-T328 PolarHBondContact O-N 2.87Å; Q325-E329 WeakPolarHBondContact O-CG 3.47Å; Q325-E329 PolarHBondContact O-N 2.93Å; Q325-V410 HydrophobicContact CG-CG1 3.32Å; Q325-V414 HydrophobicContact CG-CG2 4.24Å
326H98.8Very high97.3Very high24 Ų2439.9 Ų39.911%0.11119%0.194CC..Hα-helixtrans-59.6-39.6-176.1-64.2169.9000112.2E322 R323 E329 M330 H349 H350E322-H326 WeakPolarHBondContact O-CB 3.26Å; E322-H326 PolarHBondContact O-CD2 3.26Å; E322-H326 PolarHBondContact O-N 3.14Å; E322-H326 PolarHBondContact O-ND1 2.93Å; R323-H326 PolarHBondContact O-N 2.81Å; H326-E329 IonicContact CD2-OE2 3.55Å; H326-M330 PolarHBondContact O-N 3.21Å; H326-M330 VanDerWaalsContact O-N 3.16Å; H326-H349 PolarHBondContact O-CD2 3.22Å; H326-H350 HydrophobicContact CB-CB 3.9Å; H326-H350 AromaticContact CG-ND1 3.72Å; H326-H350 AromaticContact ND1-CE1 3.97Å; H326-H350 AromaticContact ND1-CG 3.91Å; H326-H350 AromaticContact ND1-ND1 3.04Å; H326-H350 PolarHBondContact ND1-ND1 3.17Å
327Y98.8Very high97.8Very high3 Ų337.9 Ų37.91%0.01219%0.186CC..Hα-helixtrans-67.5-41.7176.1-87.9-122.7000111.7R323 Q325 M330 Y331 A346 L347 H350R323-Y327 HydrophobicContact CG-CD2 3.77Å; R323-Y327 HydrophobicContact CG-CE2 3.85Å; R323-Y327 HydrophobicContact CG-CG 4.48Å; R323-Y327 VanDerWaalsContact O-CB 3.29Å; R323-Y327 WeakPolarHBondContact O-CB 3.48Å; R323-Y327 WeakPolarHBondContact O-CD2 3.38Å; R323-Y327 PolarHBondContact O-N 3.34Å; Q325-Y327 VanDerWaalsContact C-N 3.3Å; Q325-Y327 PolarHBondContact O-N 3.36Å; Y327-M330 PolarHBondContact O-N 2.95Å; Y327-Y331 HydrophobicContact CD1-CE2 4.49Å; Y327-Y331 VanDerWaalsContact O-CB 3.27Å; Y327-Y331 WeakPolarHBondContact O-CB 3.37Å; Y327-Y331 VanDerWaalsContact O-CD2 3.31Å; Y327-Y331 WeakPolarHBondContact O-CD2 3.3Å; Y327-Y331 PolarHBondContact O-N 2.94Å; Y327-A346 HydrophobicContact CD1-CB 3.77Å; Y327-A346 HydrophobicContact CD2-CB 4.15Å; Y327-A346 HydrophobicContact CE1-CB 3.95Å; Y327-A346 HydrophobicContact CE2-CB 4.32Å; Y327-A346 HydrophobicContact CG-CB 3.87Å; Y327-L347 WeakPolarHBondContact OH-CB 3.48Å; Y327-L347 WeakPolarHBondContact OH-CD1 3.44Å; Y327-H350 HydrophobicContact CD2-CB 4.08Å; Y327-H350 HydrophobicContact CE2-CB 3.75Å
328T98.7Very high98.1Very high7 Ų740 Ų404%0.04320%0.199CC..Hα-helixtrans-63.2-45178.3-57.30000111.2A324 Q325 Y331 Q332 V414 W417 W418A324-T328 VanDerWaalsContact O-CB 3.25Å; A324-T328 WeakPolarHBondContact O-CB 3.43Å; A324-T328 PolarHBondContact O-N 3.01Å; A324-T328 PolarHBondContact O-OG1 3.5Å; Q325-T328 WeakPolarHBondContact O-CB 3.44Å; Q325-T328 PolarHBondContact O-N 2.87Å; T328-Y331 PolarHBondContact O-N 2.73Å; T328-Q332 HydrophobicContact CG2-CG 4.45Å; T328-Q332 WeakPolarHBondContact O-CB 3.16Å; T328-Q332 VanDerWaalsContact O-CG 3.27Å; T328-Q332 WeakPolarHBondContact O-CG 3.35Å; T328-Q332 PolarHBondContact O-N 3.13Å; T328-V414 HydrophobicContact CG2-CG1 4.45Å; T328-V414 WeakPolarHBondContact OG1-CG1 3.36Å; T328-W417 HydrophobicContact CG2-CB 4.49Å; T328-W417 HydrophobicContact CG2-CD2 4.26Å; T328-W417 HydrophobicContact CG2-CE3 4.02Å; T328-W417 HydrophobicContact CG2-CG 4.46Å; T328-W418 PolarHBondContact OG1-NE1 3.06Å
329E98.6Very high98.3Very high71 Ų7143.5 Ų43.533%0.33222%0.216SC..Hα-helixtrans-55.5-53.5176-71.8165-168.700111.7Q325 H326 Y331 Q332 Q333 H349Q325-E329 WeakPolarHBondContact O-CG 3.47Å; Q325-E329 PolarHBondContact O-N 2.93Å; H326-E329 IonicContact CD2-OE2 3.55Å; E329-Y331 VanDerWaalsContact C-N 3.34Å; E329-Y331 PolarHBondContact O-N 3.21Å; E329-Q332 PolarHBondContact O-N 3.15Å; E329-Q333 WeakPolarHBondContact O-CB 3.45Å; E329-Q333 VanDerWaalsContact O-CG 3.27Å; E329-Q333 WeakPolarHBondContact O-CG 3.43Å; E329-Q333 PolarHBondContact O-N 2.87Å; E329-H349 IonicContact OE2-CD2 3.62Å; E329-H349 IonicContact OE2-CE1 3.82Å; E329-H349 IonicContact OE2-NE2 2.79Å; E329-H349 PolarHBondContact OE2-NE2 3.27Å
330M98.7Very high98.5Very high15 Ų1545.5 Ų45.57%0.07423%0.229CC..Hα-helixtrans-67.4-35.7-179.7-72-58.410000112.6H326 Y327 Q332 Q333 H334 A346 H349H326-M330 PolarHBondContact O-N 3.21Å; H326-M330 VanDerWaalsContact O-N 3.16Å; Y327-M330 PolarHBondContact O-N 2.95Å; M330-Q332 VanDerWaalsContact C-N 3.35Å; M330-Q333 PolarHBondContact O-N 3.26Å; M330-H334 VanDerWaalsContact O-CB 3.28Å; M330-H334 WeakPolarHBondContact O-CB 3.39Å; M330-H334 PolarHBondContact O-CD2 3.15Å; M330-H334 PolarHBondContact O-N 3.12Å; M330-A346 HydrophobicContact CB-CB 3.92Å; M330-H349 HydrophobicContact CE-CB 4.45Å; M330-H349 HydrophobicContact CG-CB 3.33Å; M330-H349 HydrophobicContact SD-CB 3.75Å
331Y98.7Very high98.5Very high17 Ų1745.6 Ų45.67%0.06723%0.23CC..Hα-helixtrans-64.4-41.2175.7-99.9-110.8000112Y327 T328 E329 L335 R342 R343 A346 W417 W418Y327-Y331 HydrophobicContact CD1-CE2 4.49Å; Y327-Y331 VanDerWaalsContact O-CB 3.27Å; Y327-Y331 WeakPolarHBondContact O-CB 3.37Å; Y327-Y331 VanDerWaalsContact O-CD2 3.31Å; Y327-Y331 WeakPolarHBondContact O-CD2 3.3Å; Y327-Y331 PolarHBondContact O-N 2.94Å; T328-Y331 PolarHBondContact O-N 2.73Å; E329-Y331 VanDerWaalsContact C-N 3.34Å; E329-Y331 PolarHBondContact O-N 3.21Å; Y331-L335 WeakPolarHBondContact O-CD2 3.45Å; Y331-L335 WeakPolarHBondContact O-CG 3.44Å; Y331-L335 PolarHBondContact O-N 2.93Å; Y331-R342 HydrophobicContact CD1-CG 4.32Å; Y331-R342 HydrophobicContact CD2-CG 4.09Å; Y331-R342 HydrophobicContact CE1-CG 4.49Å; Y331-R342 HydrophobicContact CE2-CG 4.28Å; Y331-R342 HydrophobicContact CG-CG 4.13Å; Y331-R343 HydrophobicContact CE2-CG 4.28Å; Y331-R343 WeakPolarHBondContact OH-CG 3.43Å; Y331-A346 HydrophobicContact CD2-CB 4.14Å; Y331-A346 HydrophobicContact CE2-CB 4.17Å; Y331-W417 HydrophobicContact CD1-CH2 4.09Å; Y331-W417 HydrophobicContact CD1-CZ3 4.25Å; Y331-W417 HydrophobicContact CG-CH2 4.31Å; Y331-W417 HydrophobicContact CG-CZ3 4.38Å; Y331-W418 AromaticContact CD1-CH2 3.56Å; Y331-W418 HydrophobicContact CD1-CH2 3.56Å; Y331-W418 HydrophobicContact CD1-CZ2 4.37Å; Y331-W418 HydrophobicContact CD1-CZ3 4.03Å; Y331-W418 AromaticContact CD2-CH2 3.97Å; Y331-W418 HydrophobicContact CD2-CH2 3.97Å; Y331-W418 HydrophobicContact CD2-CZ2 4.39Å; Y331-W418 AromaticContact CE1-CH2 3.66Å; Y331-W418 HydrophobicContact CE1-CH2 3.66Å; Y331-W418 AromaticContact CE1-CZ3 3.97Å; Y331-W418 HydrophobicContact CE1-CZ3 3.97Å; Y331-W418 HydrophobicContact CE2-CH2 4.05Å; Y331-W418 AromaticContact CG-CH2 3.71Å; Y331-W418 HydrophobicContact CG-CH2 3.71Å; Y331-W418 HydrophobicContact CG-CZ2 4.15Å; Y331-W418 AromaticContact CZ-CH2 3.88Å
332Q98.5Very high98.6Very high93 Ų9346.7 Ų46.744%0.43523%0.233SC..Hα-helixtrans-64.5-44.7175.5-74.7173.7-2.100111.9T328 E329 M330 H334 W417T328-Q332 HydrophobicContact CG2-CG 4.45Å; T328-Q332 WeakPolarHBondContact O-CB 3.16Å; T328-Q332 VanDerWaalsContact O-CG 3.27Å; T328-Q332 WeakPolarHBondContact O-CG 3.35Å; T328-Q332 PolarHBondContact O-N 3.13Å; E329-Q332 PolarHBondContact O-N 3.15Å; M330-Q332 VanDerWaalsContact C-N 3.35Å; Q332-H334 VanDerWaalsContact C-N 3.31Å; Q332-H334 PolarHBondContact O-N 3.17Å; Q332-W417 HydrophobicContact CB-CZ2 4.5Å; Q332-W417 HydrophobicContact CG-CD2 3.94Å; Q332-W417 HydrophobicContact CG-CG 4.35Å; Q332-W417 HydrophobicContact CG-CH2 4.42Å; Q332-W417 HydrophobicContact CG-CZ2 3.65Å; Q332-W417 VanDerWaalsContact NE2-CD1 3.27Å
333Q98.5Very high98.6Very high121 Ų12148.8 Ų48.857%0.56524%0.24SC*.Hα-helixtrans-74.2-19.3-177.6-67.4174.429.300113.7E329 M330E329-Q333 WeakPolarHBondContact O-CB 3.45Å; E329-Q333 VanDerWaalsContact O-CG 3.27Å; E329-Q333 WeakPolarHBondContact O-CG 3.43Å; E329-Q333 PolarHBondContact O-N 2.87Å; M330-Q333 PolarHBondContact O-N 3.26Å
334H98.6Very high98.6Very high42 Ų4249 Ų4919%0.19424%0.241CC..THydrogen-bonded Turntrans-12533.1-174.2-62.7-51000113.9M330 Q332 D336 K337 R342 L345M330-H334 VanDerWaalsContact O-CB 3.28Å; M330-H334 WeakPolarHBondContact O-CB 3.39Å; M330-H334 PolarHBondContact O-CD2 3.15Å; M330-H334 PolarHBondContact O-N 3.12Å; Q332-H334 VanDerWaalsContact C-N 3.31Å; Q332-H334 PolarHBondContact O-N 3.17Å; H334-D336 PolarHBondContact O-N 3.19Å; H334-D336 VanDerWaalsContact O-N 3.11Å; H334-K337 HydrophobicContact CB-CB 4.39Å; H334-K337 HydrophobicContact CB-CG 3.9Å; H334-K337 PolarHBondContact O-N 2.86Å; H334-R342 HydrophobicContact CB-CG 4.13Å; H334-R342 PolarHBondContact O-NE 3.23Å; H334-L345 HydrophobicContact CB-CD1 4.35Å
335L98Very high98.6Very high94 Ų9450.9 Ų50.949%0.49225%0.251SS..THydrogen-bonded Turntrans-57.5-20.8172.2-74.5177.5000113.6Y331 R342 W417Y331-L335 WeakPolarHBondContact O-CD2 3.45Å; Y331-L335 WeakPolarHBondContact O-CG 3.44Å; Y331-L335 PolarHBondContact O-N 2.93Å; L335-R342 VanDerWaalsContact C-NH2 3.32Å; L335-R342 PolarHBondContact O-NH2 2.87Å; L335-W417 HydrophobicContact CD2-CH2 4.31Å; L335-W417 HydrophobicContact CD2-CZ2 4.07Å
336D98.2Very high98.6Very high114 Ų11448.3 Ų48.361%0.6124%0.239SC*.THydrogen-bonded Turntrans-79.6-18.1177.574.6-48.2000113.6H334H334-D336 PolarHBondContact O-N 3.19Å; H334-D336 VanDerWaalsContact O-N 3.11Å
337K98.4Very high98.6Very high64 Ų6447.3 Ų47.328%0.27824%0.235SC..SBendtrans-87150.3-177.4-56-56.9-175.3-71.80112.2H334 V341 R342 L345H334-K337 HydrophobicContact CB-CB 4.39Å; H334-K337 HydrophobicContact CB-CG 3.9Å; H334-K337 PolarHBondContact O-N 2.86Å; K337-V341 HydrophobicContact CB-CB 4.43Å; K337-V341 HydrophobicContact CB-CG1 4.37Å; K337-R342 PolarHBondContact O-NH2 3.42Å; K337-L345 HydrophobicContact CG-CD1 4.37Å
338P98.5Very high98.6Very high57 Ų5748.2 Ų48.237%0.3724%0.243SC..  trans-55.8147167.2-24.334.7000112.1V341 R342 Q495P338-V341 PolarHBondContact O-N 3.43Å; P338-V341 VanDerWaalsContact O-N 3.07Å; P338-R342 PolarHBondContact O-N 3.34Å; P338-Q495 HydrophobicContact CB-CB 4.48Å; P338-Q495 HydrophobicContact CG-CB 4.39Å; P338-Q495 HydrophobicContact CG-CG 4Å
339I98.5Very high98.6Very high91 Ų9150 Ų5047%0.46725%0.251SS..Hα-helixtrans-52.2-44.9-174.9-64.8173.5000113.2V341 R342 R343I339-V341 VanDerWaalsContact C-N 3.34Å; I339-V341 PolarHBondContact O-N 2.84Å; I339-R342 PolarHBondContact O-N 3.18Å; I339-R343 HydrophobicContact CG2-CG 4.35Å; I339-R343 WeakPolarHBondContact O-CG 3.4Å; I339-R343 PolarHBondContact O-N 3.15Å
340P98.7Very high98.7Very high49 Ų4946.7 Ų46.732%0.31824%0.235SC..Hα-helixtrans-59.2-44178.7-25.335.3000113R343 A344 F496 A499P340-R343 PolarHBondContact O-N 3.01Å; P340-A344 PolarHBondContact O-N 3.4Å; P340-F496 HydrophobicContact CB-CD2 4.06Å; P340-F496 HydrophobicContact CG-CD2 4.39Å; P340-A499 HydrophobicContact CB-CB 4.08Å; P340-A499 WeakPolarHBondContact O-CB 3.35Å
341V98.9Very high98.7Very high2 Ų246 Ų461%0.01223%0.232CC..Hα-helixtrans-67.9-40.1178.51800000110.6K337 P338 I339 R343 A344 L345 Q495 A499 I502K337-V341 HydrophobicContact CB-CB 4.43Å; K337-V341 HydrophobicContact CB-CG1 4.37Å; P338-V341 PolarHBondContact O-N 3.43Å; P338-V341 VanDerWaalsContact O-N 3.07Å; I339-V341 VanDerWaalsContact C-N 3.34Å; I339-V341 PolarHBondContact O-N 2.84Å; V341-R343 VanDerWaalsContact C-N 3.35Å; V341-R343 PolarHBondContact O-N 3.32Å; V341-A344 PolarHBondContact O-N 2.82Å; V341-L345 HydrophobicContact CG1-CD1 4.07Å; V341-L345 HydrophobicContact CG1-CG 4.42Å; V341-L345 VanDerWaalsContact O-CG 3.3Å; V341-L345 WeakPolarHBondContact O-CG 3.35Å; V341-L345 PolarHBondContact O-N 3.13Å; V341-Q495 HydrophobicContact CG2-CB 4.17Å; V341-Q495 VanDerWaalsContact CG2-O 3.28Å; V341-Q495 WeakPolarHBondContact CG2-O 3.49Å; V341-A499 HydrophobicContact CG2-CB 4.38Å; V341-I502 HydrophobicContact CG1-CD1 4.3Å
342R98.8Very high98.7Very high31 Ų3147.5 Ų47.512%0.11725%0.247CC..Hα-helixtrans-61-42.4176.6-166.1-176.5-54.7167.24.6112.1Y331 H334 L335 K337 P338 I339 L345 A346Y331-R342 HydrophobicContact CD1-CG 4.32Å; Y331-R342 HydrophobicContact CD2-CG 4.09Å; Y331-R342 HydrophobicContact CE1-CG 4.49Å; Y331-R342 HydrophobicContact CE2-CG 4.28Å; Y331-R342 HydrophobicContact CG-CG 4.13Å; H334-R342 HydrophobicContact CB-CG 4.13Å; H334-R342 PolarHBondContact O-NE 3.23Å; L335-R342 VanDerWaalsContact C-NH2 3.32Å; L335-R342 PolarHBondContact O-NH2 2.87Å; K337-R342 PolarHBondContact O-NH2 3.42Å; P338-R342 PolarHBondContact O-N 3.34Å; I339-R342 PolarHBondContact O-N 3.18Å; R342-L345 PolarHBondContact O-N 3.43Å; R342-A346 WeakPolarHBondContact O-CB 3.41Å; R342-A346 PolarHBondContact O-N 2.92Å
343R98.8Very high98.7Very high75 Ų7547.2 Ų47.228%0.28325%0.249SC..Hα-helixtrans-65-42.6174.9-72-177.67586.76.8112.1Y331 I339 P340 V341 L345 A346 L347 E380 Y381Y331-R343 HydrophobicContact CE2-CG 4.28Å; Y331-R343 WeakPolarHBondContact OH-CG 3.43Å; I339-R343 HydrophobicContact CG2-CG 4.35Å; I339-R343 WeakPolarHBondContact O-CG 3.4Å; I339-R343 PolarHBondContact O-N 3.15Å; P340-R343 PolarHBondContact O-N 3.01Å; V341-R343 VanDerWaalsContact C-N 3.35Å; V341-R343 PolarHBondContact O-N 3.32Å; R343-L345 VanDerWaalsContact C-N 3.35Å; R343-L345 PolarHBondContact O-N 3.47Å; R343-A346 PolarHBondContact O-N 3.45Å; R343-L347 PolarHBondContact O-N 3.21Å; R343-E380 IonicContact CZ-OE1 3.84Å; R343-E380 IonicContact NH1-OE1 3.86Å; R343-E380 IonicContact NH2-OE1 3.65Å; R343-E380 PolarHBondContact NH2-OE1 3.33Å; R343-Y381 PolarHBondContact NH2-OH 3.07Å
344A98.9Very high98.7Very high4 Ų441.5 Ų41.53%0.03322%0.222CC..Hα-helixtrans-60.7-43.7176.200000112P340 V341 L347 A348 A499 I502 V503P340-A344 PolarHBondContact O-N 3.4Å; V341-A344 PolarHBondContact O-N 2.82Å; A344-L347 PolarHBondContact O-N 3.45Å; A344-A348 WeakPolarHBondContact O-CB 3.36Å; A344-A348 PolarHBondContact O-N 3.34Å; A344-A499 HydrophobicContact CB-CB 3.81Å; A344-A499 WeakPolarHBondContact CB-O 3.46Å; A344-I502 HydrophobicContact CB-CB 4.09Å; A344-I502 HydrophobicContact CB-CG2 3.94Å; A344-V503 HydrophobicContact CB-CG2 3.72Å
345L98.9Very high98.7Very high41 Ų4142.4 Ų42.422%0.21523%0.231CC..Hα-helixtrans-64.4-41175.2-67.2169.7000112H334 K337 V341 R342 R343 A348 H349 I502H334-L345 HydrophobicContact CB-CD1 4.35Å; K337-L345 HydrophobicContact CG-CD1 4.37Å; V341-L345 HydrophobicContact CG1-CD1 4.07Å; V341-L345 HydrophobicContact CG1-CG 4.42Å; V341-L345 VanDerWaalsContact O-CG 3.3Å; V341-L345 WeakPolarHBondContact O-CG 3.35Å; V341-L345 PolarHBondContact O-N 3.13Å; R342-L345 PolarHBondContact O-N 3.43Å; R343-L345 VanDerWaalsContact C-N 3.35Å; R343-L345 PolarHBondContact O-N 3.47Å; L345-A348 PolarHBondContact O-N 3.35Å; L345-H349 WeakPolarHBondContact O-CB 3.45Å; L345-H349 PolarHBondContact O-N 3.27Å; L345-I502 HydrophobicContact CD2-CD1 4.22Å; L345-I502 HydrophobicContact CD2-CG2 4.4Å
346A98.9Very high98.8Very high0 Ų039.2 Ų39.20%021%0.214CC..Hα-helixtrans-61.3-45175.300000112.7Y327 M330 Y331 R342 R343 H350Y327-A346 HydrophobicContact CD1-CB 3.77Å; Y327-A346 HydrophobicContact CD2-CB 4.15Å; Y327-A346 HydrophobicContact CE1-CB 3.95Å; Y327-A346 HydrophobicContact CE2-CB 4.32Å; Y327-A346 HydrophobicContact CG-CB 3.87Å; M330-A346 HydrophobicContact CB-CB 3.92Å; Y331-A346 HydrophobicContact CD2-CB 4.14Å; Y331-A346 HydrophobicContact CE2-CB 4.17Å; R342-A346 WeakPolarHBondContact O-CB 3.41Å; R342-A346 PolarHBondContact O-N 2.92Å; R343-A346 PolarHBondContact O-N 3.45Å; A346-H350 WeakPolarHBondContact O-CB 3.38Å; A346-H350 PolarHBondContact O-N 3.06Å
347L98.9Very high98.8Very high3 Ų335 Ų352%0.01619%0.189CC..Hα-helixtrans-64.3-46.9175.1-17961.4000111.2Y327 R343 A344 H349 H350 L351 V503 I565 I568 E569Y327-L347 WeakPolarHBondContact OH-CB 3.48Å; Y327-L347 WeakPolarHBondContact OH-CD1 3.44Å; R343-L347 PolarHBondContact O-N 3.21Å; A344-L347 PolarHBondContact O-N 3.45Å; L347-H349 PolarHBondContact O-N 3.28Å; L347-H350 PolarHBondContact O-N 3.47Å; L347-H350 VanDerWaalsContact O-N 3.15Å; L347-L351 HydrophobicContact CD1-CD1 4.05Å; L347-L351 HydrophobicContact CD1-CD2 4.24Å; L347-L351 HydrophobicContact CD1-CG 3.88Å; L347-L351 HydrophobicContact CG-CD1 3.99Å; L347-L351 HydrophobicContact CG-CG 4.19Å; L347-L351 WeakPolarHBondContact O-CG 3.24Å; L347-L351 PolarHBondContact O-N 3.09Å; L347-V503 HydrophobicContact CD2-CG1 3.79Å; L347-V503 HydrophobicContact CD2-CG2 4.05Å; L347-I565 HydrophobicContact CD2-CG2 4.44Å; L347-I568 HydrophobicContact CD1-CG2 4.06Å; L347-E569 HydrophobicContact CD1-CB 4.01Å; L347-E569 HydrophobicContact CD2-CB 3.8Å; L347-E569 HydrophobicContact CG-CB 4.47Å
348A98.9Very high98.8Very high22 Ų2232.5 Ų32.518%0.18218%0.179CC..Hα-helixtrans-58.4-48.3179.200000111.9A344 L345 H350 L351 A352 I502 A506A344-A348 WeakPolarHBondContact O-CB 3.36Å; A344-A348 PolarHBondContact O-N 3.34Å; L345-A348 PolarHBondContact O-N 3.35Å; A348-H350 VanDerWaalsContact C-N 3.32Å; A348-H350 PolarHBondContact O-N 3.35Å; A348-L351 PolarHBondContact O-N 3.07Å; A348-A352 WeakPolarHBondContact O-CB 3.22Å; A348-A352 PolarHBondContact O-N 3.06Å; A348-I502 HydrophobicContact CB-CG2 4.08Å; A348-A506 HydrophobicContact CB-CB 3.61Å
349H98.9Very high98.6Very high45 Ų4534 Ų3421%0.20818%0.18CC..Hα-helixtrans-59.7-42.9174.6-178.166.2000111.8H326 E329 M330 L345 L347 A352 N353H326-H349 PolarHBondContact O-CD2 3.22Å; E329-H349 IonicContact OE2-CD2 3.62Å; E329-H349 IonicContact OE2-CE1 3.82Å; E329-H349 IonicContact OE2-NE2 2.79Å; E329-H349 PolarHBondContact OE2-NE2 3.27Å; M330-H349 HydrophobicContact CE-CB 4.45Å; M330-H349 HydrophobicContact CG-CB 3.33Å; M330-H349 HydrophobicContact SD-CB 3.75Å; L345-H349 WeakPolarHBondContact O-CB 3.45Å; L345-H349 PolarHBondContact O-N 3.27Å; L347-H349 PolarHBondContact O-N 3.28Å; H349-A352 PolarHBondContact O-N 2.94Å; H349-N353 PolarHBondContact CE1-ND2 3.32Å; H349-N353 PolarHBondContact ND1-ND2 2.93Å; H349-N353 WeakPolarHBondContact O-CB 3.49Å; H349-N353 PolarHBondContact O-N 3.34Å; H349-N353 VanDerWaalsContact O-N 3.11Å; H349-N353 PolarHBondContact O-ND2 2.82Å
350H98.9Very high98.3Very high1 Ų132.4 Ų32.41%0.00517%0.17CC..Hα-helixtrans-65.2-46.4178.3-17863000112.2R323 H326 Y327 A346 L347 A348 A352 N353 R354 I568R323-H350 WeakPolarHBondContact CA-CE1 3.45Å; R323-H350 WeakPolarHBondContact CA-ND1 3.46Å; R323-H350 PolarHBondContact N-CE1 3.06Å; H326-H350 HydrophobicContact CB-CB 3.9Å; H326-H350 AromaticContact CG-ND1 3.72Å; H326-H350 AromaticContact ND1-CE1 3.97Å; H326-H350 AromaticContact ND1-CG 3.91Å; H326-H350 AromaticContact ND1-ND1 3.04Å; H326-H350 PolarHBondContact ND1-ND1 3.17Å; Y327-H350 HydrophobicContact CD2-CB 4.08Å; Y327-H350 HydrophobicContact CE2-CB 3.75Å; A346-H350 WeakPolarHBondContact O-CB 3.38Å; A346-H350 PolarHBondContact O-N 3.06Å; L347-H350 PolarHBondContact O-N 3.47Å; L347-H350 VanDerWaalsContact O-N 3.15Å; A348-H350 VanDerWaalsContact C-N 3.32Å; A348-H350 PolarHBondContact O-N 3.35Å; H350-A352 VanDerWaalsContact C-N 3.28Å; H350-A352 PolarHBondContact O-N 3.01Å; H350-N353 PolarHBondContact O-N 3.21Å; H350-R354 PolarHBondContact NE2-NH1 3.21Å; H350-R354 WeakPolarHBondContact O-CB 3.2Å; H350-R354 VanDerWaalsContact O-CG 3.28Å; H350-R354 WeakPolarHBondContact O-CG 3.37Å; H350-R354 PolarHBondContact O-N 2.75Å; H350-I568 VanDerWaalsContact CD2-CG2 3.45Å; H350-I568 WeakPolarHBondContact CD2-CG2 3.34Å
351L98.9Very high98Very high1 Ų132 Ų321%0.00517%0.165CC..Hα-helixtrans-64.7-31.3178.4-67.2-177.3000112.7L347 A348 A506 H510 R513 I565 I568L347-L351 HydrophobicContact CD1-CD1 4.05Å; L347-L351 HydrophobicContact CD1-CD2 4.24Å; L347-L351 HydrophobicContact CD1-CG 3.88Å; L347-L351 HydrophobicContact CG-CD1 3.99Å; L347-L351 HydrophobicContact CG-CG 4.19Å; L347-L351 WeakPolarHBondContact O-CG 3.24Å; L347-L351 PolarHBondContact O-N 3.09Å; A348-L351 PolarHBondContact O-N 3.07Å; L351-A506 HydrophobicContact CD1-CB 4.33Å; L351-H510 HydrophobicContact CB-CB 4.14Å; L351-H510 HydrophobicContact CD1-CB 4.35Å; L351-H510 PolarHBondContact O-CE1 3.06Å; L351-H510 PolarHBondContact O-ND1 2.98Å; L351-R513 PolarHBondContact O-NH1 3.41Å; L351-I565 HydrophobicContact CD1-CD1 4.47Å; L351-I565 HydrophobicContact CD1-CG2 4.06Å; L351-I565 HydrophobicContact CD2-CG1 4.41Å; L351-I568 HydrophobicContact CD2-CD1 4.22Å; L351-I568 HydrophobicContact CD2-CG2 4.07Å
352A98.8Very high97.8Very high47 Ų4731.9 Ų31.939%0.38816%0.164SC..Hα-helixtrans-73.3-32.4176.200000113.3A348 H349 H350 R513A348-A352 WeakPolarHBondContact O-CB 3.22Å; A348-A352 PolarHBondContact O-N 3.06Å; H349-A352 PolarHBondContact O-N 2.94Å; H350-A352 VanDerWaalsContact C-N 3.28Å; H350-A352 PolarHBondContact O-N 3.01Å; A352-R513 VanDerWaalsContact C-NH1 3.33Å; A352-R513 PolarHBondContact O-NE 2.9Å; A352-R513 PolarHBondContact O-NH1 3.15Å
353N98.8Very high97.7Very high87 Ų8730.7 Ų30.747%0.46516%0.16SC..Hα-helixtrans-112.1-19.9-169.6-65.2-74.7000115H349 H350H349-N353 PolarHBondContact CE1-ND2 3.32Å; H349-N353 PolarHBondContact ND1-ND2 2.93Å; H349-N353 WeakPolarHBondContact O-CB 3.49Å; H349-N353 PolarHBondContact O-N 3.34Å; H349-N353 VanDerWaalsContact O-N 3.11Å; H349-N353 PolarHBondContact O-ND2 2.82Å; H350-N353 PolarHBondContact O-N 3.21Å
354R98.7Very high97.7Very high2 Ų227.1 Ų27.11%0.00815%0.147CC..SBendtrans-58.8152.8-178.568.3176.5-89.677.615.6112.4E322 H350 I356 N367 Q368 A369 R513E322-R354 WeakPolarHBondContact OE2-CA 3.36Å; E322-R354 WeakPolarHBondContact OE2-CB 3.25Å; E322-R354 IonicContact OE2-NH1 2.82Å; H350-R354 PolarHBondContact NE2-NH1 3.21Å; H350-R354 WeakPolarHBondContact O-CB 3.2Å; H350-R354 VanDerWaalsContact O-CG 3.28Å; H350-R354 WeakPolarHBondContact O-CG 3.37Å; H350-R354 PolarHBondContact O-N 2.75Å; R354-I356 HydrophobicContact CG-CG2 4.21Å; R354-I356 PolarHBondContact O-N 3.23Å; R354-N367 PolarHBondContact NH2-ND2 3.28Å; R354-N367 PolarHBondContact NH2-O 3.23Å; R354-Q368 PolarHBondContact NH1-O 2.78Å; R354-Q368 PolarHBondContact NH2-O 2.7Å; R354-Q368 VanDerWaalsContact NH2-O 3.15Å; R354-A369 VanDerWaalsContact NH2-C 3.33Å; R354-A369 VanDerWaalsContact NH2-CA 3.31Å; R354-A369 PolarHBondContact NH2-O 3.08Å; R354-R513 PolarHBondContact O-NH1 3.44Å; R354-R513 PolarHBondContact O-NH2 3.13Å; R354-R513 VanDerWaalsContact O-NH2 3.1Å
355T98.8Very high97.7Very high61 Ų6126.9 Ų26.937%0.37415%0.145SC..  trans-65.7124.3170.8-64.70000109.6E322 N367E322-T355 WeakPolarHBondContact OE1-CB 3.23Å; E322-T355 PolarHBondContact OE1-OG1 3.15Å; E322-T355 PolarHBondContact OE2-N 2.82Å; T355-N367 PolarHBondContact O-ND2 2.84Å
356I98.8Very high97.7Very high27 Ų2725 Ų2514%0.13814%0.135CC..  trans-116.8148.9171.560.3164.4000110.1R354 N367 R513 F514 L517R354-I356 HydrophobicContact CG-CG2 4.21Å; R354-I356 PolarHBondContact O-N 3.23Å; I356-N367 VanDerWaalsContact CA-OD1 3.25Å; I356-N367 WeakPolarHBondContact CA-OD1 3.49Å; I356-R513 HydrophobicContact CD1-CB 3.73Å; I356-F514 HydrophobicContact CB-CE1 3.96Å; I356-F514 HydrophobicContact CB-CE2 4.13Å; I356-F514 HydrophobicContact CB-CZ 3.61Å; I356-F514 HydrophobicContact CD1-CD1 4.42Å; I356-F514 HydrophobicContact CD1-CD2 4.36Å; I356-F514 HydrophobicContact CD1-CE1 4.47Å; I356-F514 HydrophobicContact CD1-CE2 4.41Å; I356-F514 HydrophobicContact CD1-CG 4.35Å; I356-F514 HydrophobicContact CD1-CZ 4.44Å; I356-F514 HydrophobicContact CG2-CE1 4.44Å; I356-F514 HydrophobicContact CG2-CE2 3.74Å; I356-F514 HydrophobicContact CG2-CZ 3.6Å; I356-L517 HydrophobicContact CD1-CB 4.35Å; I356-L517 HydrophobicContact CD1-CD2 4.1Å; I356-L517 HydrophobicContact CG1-CD2 4.08Å
357W98.5Very high97.7Very high25 Ų2525 Ų2510%0.09514%0.135CC..  trans-151.8159.5177.545.8-105.6000110.7K359 N367 A369 S370 V372 E616W357-K359 HydrophobicContact CD2-CD 3.79Å; W357-K359 HydrophobicContact CD2-CG 4Å; W357-K359 HydrophobicContact CE3-CB 3.7Å; W357-K359 HydrophobicContact CE3-CD 3.53Å; W357-K359 HydrophobicContact CE3-CG 3.42Å; W357-K359 VanDerWaalsContact CE3-CG 3.42Å; W357-K359 HydrophobicContact CG-CD 4.42Å; W357-K359 HydrophobicContact CH2-CD 4.22Å; W357-K359 HydrophobicContact CZ2-CD 4.44Å; W357-K359 HydrophobicContact CZ3-CB 3.74Å; W357-K359 HydrophobicContact CZ3-CD 3.77Å; W357-K359 HydrophobicContact CZ3-CG 3.88Å; W357-N367 HydrophobicContact CD2-CB 3.69Å; W357-N367 VanDerWaalsContact CE2-CB 3.44Å; W357-N367 HydrophobicContact CE3-CB 3.86Å; W357-N367 HydrophobicContact CG-CB 4.45Å; W357-N367 HydrophobicContact CH2-CB 3.62Å; W357-N367 HydrophobicContact CZ2-CB 3.42Å; W357-N367 VanDerWaalsContact CZ2-CB 3.42Å; W357-N367 HydrophobicContact CZ3-CB 3.83Å; W357-N367 PolarHBondContact N-OD1 2.97Å; W357-N367 PolarHBondContact NE1-ND2 2.93Å; W357-N367 PolarHBondContact O-OD1 3.06Å; W357-A369 PolarHBondContact NE1-O 3.33Å; W357-S370 PolarHBondContact NE1-O 3.11Å; W357-V372 HydrophobicContact CH2-CB 4.5Å; W357-V372 HydrophobicContact CH2-CG2 3.88Å; W357-V372 HydrophobicContact CZ2-CG2 3.99Å; W357-E616 WeakPolarHBondContact CH2-OE2 3.35Å
358I98.3Very high97.7Very high11 Ų1126.9 Ų26.96%0.05614%0.144CC..  trans-118.4124.5168.5-62.5168.7000107E362 I365 F514 L517 A518 M521 L534I358-E362 VanDerWaalsContact CA-OE1 3.27Å; I358-E362 WeakPolarHBondContact CA-OE1 3.25Å; I358-E362 HydrophobicContact CG2-CG 3.99Å; I358-I365 HydrophobicContact CB-CG2 4.38Å; I358-I365 HydrophobicContact CD1-CB 4.47Å; I358-I365 HydrophobicContact CD1-CD1 3.97Å; I358-I365 HydrophobicContact CD1-CG2 4.01Å; I358-I365 HydrophobicContact CG1-CB 4.14Å; I358-I365 HydrophobicContact CG1-CD1 4.47Å; I358-I365 HydrophobicContact CG1-CG2 3.8Å; I358-I365 HydrophobicContact CG2-CG2 3.81Å; I358-F514 HydrophobicContact CG1-CD1 4.26Å; I358-L517 HydrophobicContact CD1-CD2 4.3Å; I358-L517 HydrophobicContact CD1-CG 4.28Å; I358-L517 HydrophobicContact CG1-CD2 4.06Å; I358-A518 HydrophobicContact CD1-CB 3.8Å; I358-M521 HydrophobicContact CB-CE 3.87Å; I358-M521 HydrophobicContact CB-SD 3.69Å; I358-M521 HydrophobicContact CD1-SD 4.12Å; I358-M521 HydrophobicContact CG1-SD 4.27Å; I358-M521 HydrophobicContact CG2-CE 4.1Å; I358-M521 HydrophobicContact CG2-SD 4.44Å; I358-L534 HydrophobicContact CG2-CD2 4.37Å
359K94.6Very high97.6Very high90 Ų9026 Ų2639%0.39114%0.137SC..  trans-131.4170.3-174.4-74.5-177.6-175.9-67.80112.4W357 D361 E362 V372W357-K359 HydrophobicContact CD2-CD 3.79Å; W357-K359 HydrophobicContact CD2-CG 4Å; W357-K359 HydrophobicContact CE3-CB 3.7Å; W357-K359 HydrophobicContact CE3-CD 3.53Å; W357-K359 HydrophobicContact CE3-CG 3.42Å; W357-K359 VanDerWaalsContact CE3-CG 3.42Å; W357-K359 HydrophobicContact CG-CD 4.42Å; W357-K359 HydrophobicContact CH2-CD 4.22Å; W357-K359 HydrophobicContact CZ2-CD 4.44Å; W357-K359 HydrophobicContact CZ3-CB 3.74Å; W357-K359 HydrophobicContact CZ3-CD 3.77Å; W357-K359 HydrophobicContact CZ3-CG 3.88Å; K359-D361 PolarHBondContact O-N 3.45Å; K359-D361 VanDerWaalsContact O-N 3.09Å; K359-E362 PolarHBondContact N-OE1 2.63Å; K359-E362 VanDerWaalsContact N-OE1 3.14Å; K359-E362 VanDerWaalsContact O-CB 3.28Å; K359-E362 WeakPolarHBondContact O-CB 2.91Å; K359-E362 VanDerWaalsContact O-CD 3.27Å; K359-E362 WeakPolarHBondContact O-CG 3.31Å; K359-E362 PolarHBondContact O-N 3.21Å; K359-V372 HydrophobicContact CD-CG2 3.65Å
360H92.2Very high97.6Very high57 Ų5725.3 Ų25.326%0.26414%0.137SC..THydrogen-bonded Turntrans56.529.4169.1-44.7125.7000115.5H307 E362 E616H307-H360 HydrophobicContact CB-CB 3.78Å; H307-H360 AromaticContact CD2-CG 3.5Å; H307-H360 VanDerWaalsContact CD2-CG 3.5Å; H307-H360 AromaticContact CD2-ND1 3.21Å; H307-H360 PolarHBondContact CD2-ND1 3.32Å; H307-H360 VanDerWaalsContact CG-CB 3.45Å; H307-H360 AromaticContact CG-CG 3.97Å; H307-H360 AromaticContact NE2-CG 3.85Å; H307-H360 AromaticContact NE2-ND1 3.21Å; H307-H360 PolarHBondContact NE2-ND1 2.74Å; H360-E362 PolarHBondContact O-N 3.17Å; H360-E362 VanDerWaalsContact O-N 3.07Å; H360-E616 IonicContact ND1-OE1 3.38Å
361D91.9Very high97.5Very high39 Ų3930 Ų3021%0.20916%0.159CC..THydrogen-bonded Turntrans48.232.6-171.8-66.3-34.8000113.1R303 K359 R527 R530R303-D361 VanDerWaalsContact CD-O 3.3Å; R303-D361 WeakPolarHBondContact CD-O 3.48Å; R303-D361 HydrophobicContact CG-CB 4.25Å; R303-D361 PolarHBondContact NH1-O 3.31Å; K359-D361 PolarHBondContact O-N 3.45Å; K359-D361 VanDerWaalsContact O-N 3.09Å; D361-R527 IonicContact OD1-CZ 3.51Å; D361-R527 IonicContact OD1-NH1 3.95Å; D361-R527 PolarHBondContact OD1-NH1 3.5Å; D361-R527 IonicContact OD1-NH2 3.51Å; D361-R527 PolarHBondContact OD1-NH2 3.04Å; D361-R527 IonicContact OD2-CZ 3.73Å; D361-R527 IonicContact OD2-NH1 3.49Å; D361-R527 PolarHBondContact OD2-NH1 3.01Å; D361-R527 IonicContact OD2-NH2 2.95Å; D361-R530 VanDerWaalsContact C-CZ 3.49Å; D361-R530 VanDerWaalsContact CA-CZ 3.46Å; D361-R530 PolarHBondContact O-NH1 3.14Å; D361-R530 VanDerWaalsContact O-NH1 3.15Å; D361-R530 IonicContact OD1-NE 2.63Å; D361-R530 PolarHBondContact OD1-NE 2.78Å
362E95.5Very high97.3Very high0 Ų031.1 Ų31.10%017%0.165CC..  trans-61.5145.8-176.469.4-162.5173.500112.1I358 K359 H360 I365 R530 K613I358-E362 VanDerWaalsContact CA-OE1 3.27Å; I358-E362 WeakPolarHBondContact CA-OE1 3.25Å; I358-E362 HydrophobicContact CG2-CG 3.99Å; K359-E362 PolarHBondContact N-OE1 2.63Å; K359-E362 VanDerWaalsContact N-OE1 3.14Å; K359-E362 VanDerWaalsContact O-CB 3.28Å; K359-E362 WeakPolarHBondContact O-CB 2.91Å; K359-E362 VanDerWaalsContact O-CD 3.27Å; K359-E362 WeakPolarHBondContact O-CG 3.31Å; K359-E362 PolarHBondContact O-N 3.21Å; H360-E362 PolarHBondContact O-N 3.17Å; H360-E362 VanDerWaalsContact O-N 3.07Å; E362-I365 HydrophobicContact CG-CG2 3.86Å; E362-R530 PolarHBondContact O-NH1 2.79Å; E362-R530 PolarHBondContact O-NH2 2.81Å; E362-K613 IonicContact OE1-NZ 3.29Å; E362-K613 WeakPolarHBondContact OE2-CD 3.41Å; E362-K613 WeakPolarHBondContact OE2-CE 3.38Å; E362-K613 IonicContact OE2-NZ 3.8Å; E362-K613 PolarHBondContact OE2-NZ 3.28Å
363L96.9Very high97.1Very high6 Ų633 Ų333%0.03116%0.163CC..SBendtrans-93.6-23.3173.5-64.4176.3000112.6E533 W553 E605 M606L363-E533 HydrophobicContact CD2-CG 4.19Å; L363-W553 HydrophobicContact CB-CZ2 4.2Å; L363-W553 HydrophobicContact CD2-CH2 4.27Å; L363-W553 HydrophobicContact CD2-CZ2 4.13Å; L363-W553 WeakPolarHBondContact O-CZ2 3.23Å; L363-W553 PolarHBondContact O-NE1 3.04Å; L363-E605 HydrophobicContact CD1-CB 4.43Å; L363-E605 HydrophobicContact CD1-CG 4Å; L363-M606 HydrophobicContact CD1-CG 4.06Å
364I98.8Very high97Very high0 Ų029 Ų290%014%0.142CC..SBendtrans-112118.2175.6-59.8-63.3000107.1L556 Q557 Y560 C610 K613I364-L556 HydrophobicContact CD1-CB 4.41Å; I364-L556 HydrophobicContact CD1-CD2 3.94Å; I364-L556 HydrophobicContact CD1-CG 3.99Å; I364-L556 HydrophobicContact CG1-CD2 4.26Å; I364-Q557 VanDerWaalsContact CA-OE1 3.29Å; I364-Q557 HydrophobicContact CD1-CB 4.33Å; I364-Y560 HydrophobicContact CG2-CD1 3.49Å; I364-Y560 VanDerWaalsContact CG2-CD1 3.49Å; I364-Y560 HydrophobicContact CG2-CD2 4.42Å; I364-Y560 HydrophobicContact CG2-CE1 4.26Å; I364-Y560 HydrophobicContact CG2-CG 3.6Å; I364-C610 HydrophobicContact CG1-CB 4.28Å; I364-K613 HydrophobicContact CB-CG 4.28Å; I364-K613 HydrophobicContact CG2-CG 4.28Å; I364-K613 WeakPolarHBondContact O-CD 3.48Å; I364-K613 VanDerWaalsContact O-CG 3.31Å; I364-K613 WeakPolarHBondContact O-CG 3.37Å
365I98.8Very high96.9Very high0 Ų030.4 Ų30.40%015%0.153CC..  trans-106.3158.1-170.360.7175.7000112.4I358 E362 F514 M537 Q557 Y560 F561I358-I365 HydrophobicContact CB-CG2 4.38Å; I358-I365 HydrophobicContact CD1-CB 4.47Å; I358-I365 HydrophobicContact CD1-CD1 3.97Å; I358-I365 HydrophobicContact CD1-CG2 4.01Å; I358-I365 HydrophobicContact CG1-CB 4.14Å; I358-I365 HydrophobicContact CG1-CD1 4.47Å; I358-I365 HydrophobicContact CG1-CG2 3.8Å; I358-I365 HydrophobicContact CG2-CG2 3.81Å; E362-I365 HydrophobicContact CG-CG2 3.86Å; I365-F514 HydrophobicContact CB-CD1 4.34Å; I365-F514 HydrophobicContact CD1-CB 3.83Å; I365-F514 HydrophobicContact CD1-CD1 4.04Å; I365-F514 HydrophobicContact CD1-CG 4.27Å; I365-F514 HydrophobicContact CG1-CD1 4.31Å; I365-M537 HydrophobicContact CD1-CB 4.38Å; I365-M537 HydrophobicContact CG2-SD 3.43Å; I365-M537 WeakPolarHBondContact CG2-SD 3.43Å; I365-Q557 PolarHBondContact O-NE2 3.15Å; I365-Y560 VanDerWaalsContact O-CD1 3.3Å; I365-Y560 WeakPolarHBondContact O-CD1 3.28Å; I365-Y560 VanDerWaalsContact O-CE1 3.25Å; I365-Y560 WeakPolarHBondContact O-CE1 3.29Å; I365-F561 HydrophobicContact CG1-CZ 4.14Å
366G98.7Very high96.8Very high0 Ų028.2 Ų28.20%014%0.14CC..  trans128124-177.100000110.8F514 Y560 K613G366-F514 VanDerWaalsContact CA-CZ 3.47Å; G366-Y560 PolarHBondContact O-OH 3.39Å; G366-K613 WeakPolarHBondContact O-CE 3.38Å; G366-K613 PolarHBondContact O-NZ 3Å
367N98.8Very high96.7Very high0 Ų027.4 Ų27.40%014%0.136CC..  trans-119.1139.517862-66.4000110.8R354 T355 I356 W357 A369 F514R354-N367 PolarHBondContact NH2-ND2 3.28Å; R354-N367 PolarHBondContact NH2-O 3.23Å; T355-N367 PolarHBondContact O-ND2 2.84Å; I356-N367 VanDerWaalsContact CA-OD1 3.25Å; I356-N367 WeakPolarHBondContact CA-OD1 3.49Å; W357-N367 HydrophobicContact CD2-CB 3.69Å; W357-N367 VanDerWaalsContact CE2-CB 3.44Å; W357-N367 HydrophobicContact CE3-CB 3.86Å; W357-N367 HydrophobicContact CG-CB 4.45Å; W357-N367 HydrophobicContact CH2-CB 3.62Å; W357-N367 HydrophobicContact CZ2-CB 3.42Å; W357-N367 VanDerWaalsContact CZ2-CB 3.42Å; W357-N367 HydrophobicContact CZ3-CB 3.83Å; W357-N367 PolarHBondContact N-OD1 2.97Å; W357-N367 PolarHBondContact NE1-ND2 2.93Å; W357-N367 PolarHBondContact O-OD1 3.06Å; N367-A369 PolarHBondContact ND2-O 3.46Å; N367-F514 VanDerWaalsContact OD1-CZ 3.29Å; N367-F514 WeakPolarHBondContact OD1-CZ 3.5Å
368Q98.7Very high96.7Very high44 Ų4427 Ų2721%0.20614%0.135CC..SBendtrans-75.1-34.4-177.5-166.7-168.433.500112.9R354 P376 L564 Q567 I568R354-Q368 PolarHBondContact NH1-O 2.78Å; R354-Q368 PolarHBondContact NH2-O 2.7Å; R354-Q368 VanDerWaalsContact NH2-O 3.15Å; Q368-P376 HydrophobicContact CG-CG 3.98Å; Q368-L564 HydrophobicContact CB-CD1 3.76Å; Q368-L564 HydrophobicContact CG-CD1 4.24Å; Q368-Q567 PolarHBondContact NE2-O 2.98Å; Q368-I568 HydrophobicContact CG-CG1 4Å
369A98.4Very high96.7Very high3 Ų326.5 Ų26.53%0.02513%0.132CC..SBendtrans-139.8174.5-17200000111.8C320 R354 W357 N367 E371 A374 P376C320-A369 HydrophobicContact CB-CB 3.62Å; R354-A369 VanDerWaalsContact NH2-C 3.33Å; R354-A369 VanDerWaalsContact NH2-CA 3.31Å; R354-A369 PolarHBondContact NH2-O 3.08Å; W357-A369 PolarHBondContact NE1-O 3.33Å; N367-A369 PolarHBondContact ND2-O 3.46Å; A369-E371 VanDerWaalsContact C-N 3.26Å; A369-E371 PolarHBondContact O-N 3.5Å; A369-A374 HydrophobicContact CB-CB 3.68Å; A369-A374 VanDerWaalsContact CB-O 3.25Å; A369-A374 WeakPolarHBondContact CB-O 3.44Å; A369-P376 HydrophobicContact CB-CG 4.2Å
370S97.6Very high96.9Very high30 Ų3022.5 Ų22.521%0.2112%0.115CC..SBendtrans-65.4-27.7-176.554.30000113.4C320 W357C320-S370 PolarHBondContact SG-N 3.31Å; C320-S370 VanDerWaalsContact SG-N 3.45Å; C320-S370 PolarHBondContact SG-OG 2.92Å; W357-S370 PolarHBondContact NE1-O 3.11Å
371E96.3Very high97.2Very high100 Ų10020.6 Ų20.647%0.46711%0.106SC..SBendtrans-121.3161.5179.6-67.4174.3-13100111.5P318 A369 R373 A374P318-E371 WeakPolarHBondContact CB-OE2 3.37Å; P318-E371 HydrophobicContact CG-CB 3.79Å; P318-E371 WeakPolarHBondContact CG-OE2 3.38Å; A369-E371 VanDerWaalsContact C-N 3.26Å; A369-E371 PolarHBondContact O-N 3.5Å; E371-R373 PolarHBondContact O-N 2.79Å; E371-A374 HydrophobicContact CB-CB 3.89Å; E371-A374 VanDerWaalsContact O-CB 3.3Å; E371-A374 WeakPolarHBondContact O-CB 3.33Å; E371-A374 PolarHBondContact O-N 3.45Å
372V94.8Very high97.5Very high24 Ų2418.9 Ų18.915%0.14510%0.097CC..THydrogen-bonded Turntrans-64.6133.6179.1-176.80000109.7L311 I314 W357 K359 A374L311-V372 HydrophobicContact CD2-CG1 3.43Å; L311-V372 VanDerWaalsContact CD2-CG1 3.43Å; I314-V372 HydrophobicContact CD1-CB 4Å; I314-V372 HydrophobicContact CD1-CG1 3.57Å; W357-V372 HydrophobicContact CH2-CB 4.5Å; W357-V372 HydrophobicContact CH2-CG2 3.88Å; W357-V372 HydrophobicContact CZ2-CG2 3.99Å; K359-V372 HydrophobicContact CD-CG2 3.65Å; V372-A374 PolarHBondContact O-N 3Å
373R95.4Very high97.5Very high88 Ų8819 Ų1933%0.33210%0.098SC..THydrogen-bonded Turntrans58.512.6-177.6-78-76.9-60.3146.78.1114.8L311 I314 P317 E371 L615 E616L311-R373 HydrophobicContact CD2-CG 4.31Å; I314-R373 HydrophobicContact CD1-CB 3.96Å; I314-R373 HydrophobicContact CD1-CG 3.99Å; I314-R373 HydrophobicContact CG2-CB 4.31Å; P317-R373 HydrophobicContact CB-CB 4.4Å; P317-R373 WeakPolarHBondContact CB-O 3.45Å; E371-R373 PolarHBondContact O-N 2.79Å; R373-L615 WeakPolarHBondContact CD-O 3.18Å; R373-L615 PolarHBondContact NH1-O 2.82Å; R373-E616 WeakPolarHBondContact CD-O 3.07Å
374A96.7Very high97.1Very high3 Ų320.4 Ų20.43%0.02511%0.108CC..PPolyproline II helixtrans-72.1133.4-175.500000111.3P318 C320 A369 E371 V372 P376P318-A374 HydrophobicContact CB-CB 4.33Å; P318-A374 HydrophobicContact CG-CB 3.71Å; P318-A374 CarbonylContact O-C 3.57Å; P318-A374 WeakPolarHBondContact O-CA 3.45Å; C320-A374 HydrophobicContact CB-CB 4.14Å; A369-A374 HydrophobicContact CB-CB 3.68Å; A369-A374 VanDerWaalsContact CB-O 3.25Å; A369-A374 WeakPolarHBondContact CB-O 3.44Å; E371-A374 HydrophobicContact CB-CB 3.89Å; E371-A374 VanDerWaalsContact O-CB 3.3Å; E371-A374 WeakPolarHBondContact O-CB 3.33Å; E371-A374 PolarHBondContact O-N 3.45Å; V372-A374 PolarHBondContact O-N 3Å; A374-P376 WeakPolarHBondContact O-CD 3.49Å
375A95.9Very high96.6Very high30 Ų3024.2 Ų24.225%0.24812%0.122CC..EExtended strand (participates in β ladder)trans-83.5117.5175.900000110.5P318 V319 C320 F401P318-A375 PolarHBondContact O-N 2.96Å; V319-A375 WeakPolarHBondContact CA-O 3.45Å; C320-A375 PolarHBondContact N-O 2.89Å; A375-F401 HydrophobicContact CB-CD1 4.11Å; A375-F401 HydrophobicContact CB-CE1 3.53Å; A375-F401 HydrophobicContact CB-CZ 4.2Å
376P97.7Very high96Very high15 Ų1524.4 Ų24.410%0.09712%0.123CC..EExtended strand (participates in β ladder)trans-68.7153.4171.6-417000111.4C320 R323 Q368 A369 A374 F378C320-P376 WeakPolarHBondContact O-CA 3.38Å; R323-P376 HydrophobicContact CB-CB 4.26Å; Q368-P376 HydrophobicContact CG-CG 3.98Å; A369-P376 HydrophobicContact CB-CG 4.2Å; A374-P376 WeakPolarHBondContact O-CD 3.49Å; P376-F378 HydrophobicContact CB-CD2 4.4Å; P376-F378 HydrophobicContact CB-CE2 3.63Å; P376-F378 HydrophobicContact CB-CZ 4.1Å; P376-F378 HydrophobicContact CG-CE2 3.93Å; P376-F378 HydrophobicContact CG-CZ 4.18Å; P376-F378 WeakPolarHBondContact O-CD2 3.35Å; P376-F378 WeakPolarHBondContact O-CE2 3.41Å
377I97.2Very high95.4Very high11 Ų1127.2 Ų27.26%0.05614%0.136CC..PPolyproline II helixtrans-94.8137.8173.3-62.8-62.9000111.7V319 C320 A324 P379 I386 L411V319-I377 HydrophobicContact CG1-CD1 3.81Å; V319-I377 HydrophobicContact CG1-CG1 3.57Å; C320-I377 PolarHBondContact O-N 3.39Å; C320-I377 VanDerWaalsContact O-N 3.12Å; A324-I377 HydrophobicContact CB-CB 4.01Å; A324-I377 HydrophobicContact CB-CG2 4Å; I377-P379 WeakPolarHBondContact O-CD 3.43Å; I377-I386 HydrophobicContact CD1-CD1 4.32Å; I377-I386 HydrophobicContact CG2-CD1 3.59Å; I377-L411 HydrophobicContact CB-CD2 4.14Å; I377-L411 HydrophobicContact CG1-CD1 4.16Å; I377-L411 HydrophobicContact CG1-CD2 4.05Å; I377-L411 HydrophobicContact CG2-CD2 3.79Å
378F98.4Very high94.8Very high16 Ų1634.2 Ų34.27%0.0717%0.166CC..  trans-123.275.1-175.5-61-112000110.9R323 P376 E380 Y381 I568 N571R323-F378 VanDerWaalsContact CZ-CE1 3.42Å; R323-F378 VanDerWaalsContact NE-CD1 3.26Å; R323-F378 VanDerWaalsContact NH1-CD1 3.28Å; R323-F378 VanDerWaalsContact NH2-CD1 3.31Å; P376-F378 HydrophobicContact CB-CD2 4.4Å; P376-F378 HydrophobicContact CB-CE2 3.63Å; P376-F378 HydrophobicContact CB-CZ 4.1Å; P376-F378 HydrophobicContact CG-CE2 3.93Å; P376-F378 HydrophobicContact CG-CZ 4.18Å; P376-F378 WeakPolarHBondContact O-CD2 3.35Å; P376-F378 WeakPolarHBondContact O-CE2 3.41Å; F378-E380 WeakPolarHBondContact CA-OE2 3.4Å; F378-E380 PolarHBondContact O-N 3.31Å; F378-E380 VanDerWaalsContact O-N 3.16Å; F378-Y381 HydrophobicContact CB-CD2 3.61Å; F378-Y381 HydrophobicContact CB-CE2 3.84Å; F378-Y381 HydrophobicContact CD1-CE2 4.09Å; F378-Y381 HydrophobicContact CG-CE2 4.39Å; F378-Y381 PolarHBondContact O-N 3.38Å; F378-I568 WeakPolarHBondContact CE1-O 3.4Å; F378-N571 HydrophobicContact CB-CB 4.23Å; F378-N571 HydrophobicContact CD1-CB 3.73Å; F378-N571 HydrophobicContact CD2-CB 3.54Å; F378-N571 HydrophobicContact CE1-CB 3.91Å; F378-N571 VanDerWaalsContact CE1-N 3.25Å; F378-N571 HydrophobicContact CE2-CB 3.68Å; F378-N571 HydrophobicContact CG-CB 3.58Å; F378-N571 HydrophobicContact CZ-CB 3.89Å
379P98.1Very high94.2Very high0 Ų034.4 Ų34.40%017%0.167CC..THydrogen-bonded Turntrans-70.4-14.7-166.131.6-37.7000113.5A324 I377 Y381 V383 V414 W418 T422A324-P379 HydrophobicContact CB-CG 4.03Å; I377-P379 WeakPolarHBondContact O-CD 3.43Å; P379-Y381 PolarHBondContact O-N 2.97Å; P379-V383 HydrophobicContact CB-CG1 3.79Å; P379-V414 HydrophobicContact CB-CG1 4.32Å; P379-V414 HydrophobicContact CG-CG1 4.23Å; P379-W418 HydrophobicContact CB-CB 4.49Å; P379-W418 HydrophobicContact CB-CD2 4.1Å; P379-W418 HydrophobicContact CB-CG 3.8Å; P379-W418 HydrophobicContact CG-CD2 4.23Å; P379-W418 HydrophobicContact CG-CG 4.32Å; P379-W418 HydrophobicContact CG-CZ2 4.11Å; P379-T422 VanDerWaalsContact O-CG2 3.31Å; P379-T422 WeakPolarHBondContact O-CG2 3.46Å
380E98.5Very high93.4Very high7 Ų734.5 Ų34.53%0.03317%0.167CC..THydrogen-bonded Turntrans-68.3-21.5178.369.2-98.1-129.400114.2R323 R343 F378 W418 T422 V423R323-E380 IonicContact CZ-OE1 3.69Å; R323-E380 IonicContact CZ-OE2 2.82Å; R323-E380 IonicContact NH1-OE1 3.11Å; R323-E380 PolarHBondContact NH1-OE1 3.18Å; R323-E380 IonicContact NH1-OE2 3.45Å; R323-E380 PolarHBondContact NH1-OE2 2.75Å; R323-E380 IonicContact NH2-OE1 3.51Å; R323-E380 PolarHBondContact NH2-OE1 3.44Å; R323-E380 IonicContact NH2-OE2 3Å; R343-E380 IonicContact CZ-OE1 3.84Å; R343-E380 IonicContact NH1-OE1 3.86Å; R343-E380 IonicContact NH2-OE1 3.65Å; R343-E380 PolarHBondContact NH2-OE1 3.33Å; F378-E380 WeakPolarHBondContact CA-OE2 3.4Å; F378-E380 PolarHBondContact O-N 3.31Å; F378-E380 VanDerWaalsContact O-N 3.16Å; E380-W418 VanDerWaalsContact CA-CZ3 3.43Å; E380-W418 HydrophobicContact CB-CE3 4.06Å; E380-W418 HydrophobicContact CB-CH2 3.59Å; E380-W418 HydrophobicContact CB-CZ2 4.43Å; E380-W418 HydrophobicContact CB-CZ3 3.37Å; E380-T422 VanDerWaalsContact O-CA 3.29Å; E380-T422 WeakPolarHBondContact O-CA 3.24Å; E380-V423 PolarHBondContact O-N 2.92Å
381Y98.3Very high92.5Very high17 Ų1737.8 Ų37.87%0.06718%0.183CC..THydrogen-bonded Turntrans-88.3-47.1179.7-57.5-70.1000110.5R343 F378 P379 T422 V423 Q424 M450 T451 S570 N571R343-Y381 PolarHBondContact NH2-OH 3.07Å; F378-Y381 HydrophobicContact CB-CD2 3.61Å; F378-Y381 HydrophobicContact CB-CE2 3.84Å; F378-Y381 HydrophobicContact CD1-CE2 4.09Å; F378-Y381 HydrophobicContact CG-CE2 4.39Å; F378-Y381 PolarHBondContact O-N 3.38Å; P379-Y381 PolarHBondContact O-N 2.97Å; Y381-T422 WeakPolarHBondContact O-CB 3.37Å; Y381-V423 HydrophobicContact CD1-CG2 4.02Å; Y381-V423 PolarHBondContact O-N 2.81Å; Y381-Q424 PolarHBondContact O-N 3.34Å; Y381-M450 VanDerWaalsContact O-O 3.09Å; Y381-T451 WeakPolarHBondContact CB-O 3.3Å; Y381-S570 PolarHBondContact OH-OG 3.28Å; Y381-N571 WeakPolarHBondContact CD2-OD1 3.14Å; Y381-N571 WeakPolarHBondContact CE2-OD1 3.45Å
382T97.3Very high91.9Very high3 Ų338.2 Ų38.22%0.01819%0.188CC..  trans-162.1150.2176.8177.70000110.8S384 W385 Q424 T451T382-S384 PolarHBondContact OG1-N 3.08Å; T382-S384 VanDerWaalsContact OG1-N 3.15Å; T382-W385 VanDerWaalsContact CG2-NE1 3.29Å; T382-Q424 PolarHBondContact OG1-OE1 2.84Å; T382-T451 HydrophobicContact CG2-CG2 3.75Å
383V95.8Very high91.2Very high3 Ų337.6 Ų37.62%0.01818%0.184CC..  trans-122.3-6.6164.2-63.80000112.3P379 W385 I386 E387 C415 W418 R419 T422P379-V383 HydrophobicContact CB-CG1 3.79Å; V383-W385 PolarHBondContact O-N 2.95Å; V383-I386 PolarHBondContact O-N 3.4Å; V383-E387 WeakPolarHBondContact O-CG 3.41Å; V383-E387 PolarHBondContact O-N 3.23Å; V383-C415 HydrophobicContact CB-CB 3.98Å; V383-C415 HydrophobicContact CG1-CB 4.07Å; V383-W418 HydrophobicContact CG1-CB 3.82Å; V383-W418 HydrophobicContact CG1-CG 4.48Å; V383-W418 HydrophobicContact CG2-CB 4.49Å; V383-R419 HydrophobicContact CG2-CG 4.2Å; V383-T422 HydrophobicContact CG1-CG2 4.44Å; V383-T422 HydrophobicContact CG2-CG2 4.21Å
384S89.8Confident90.3Very high35 Ų3535.1 Ų35.125%0.24518%0.183CC..Hα-helixtrans-64.5-41.8-169.91780000112.9T382 K388T382-S384 PolarHBondContact OG1-N 3.08Å; T382-S384 VanDerWaalsContact OG1-N 3.15Å; S384-K388 WeakPolarHBondContact O-CD 3.26Å; S384-K388 VanDerWaalsContact O-CG 3.24Å; S384-K388 WeakPolarHBondContact O-CG 3.35Å; S384-K388 PolarHBondContact OG-NZ 2.89Å; S384-K388 VanDerWaalsContact OG-NZ 3.08Å
385W88.1Confident89.5Confident80 Ų8041.2 Ų41.230%0.30322%0.215SC..Hα-helixtrans-75.4-34179.271.6-96.4000111T382 V383 K388 E389 L393T382-W385 VanDerWaalsContact CG2-NE1 3.29Å; V383-W385 PolarHBondContact O-N 2.95Å; W385-K388 PolarHBondContact O-N 2.9Å; W385-E389 WeakPolarHBondContact O-CB 3.48Å; W385-E389 WeakPolarHBondContact O-CG 3.46Å; W385-E389 PolarHBondContact O-N 3.05Å; W385-L393 HydrophobicContact CZ3-CD1 4.24Å; W385-L393 HydrophobicContact CZ3-CD2 4.12Å
386I86.6Confident88.7Confident4 Ų444.8 Ų44.82%0.02122%0.222CC..Hα-helixtrans-59.5-54.5179.1-55.5177.2000108.8I377 V383 K388 E389 I390 L411I377-I386 HydrophobicContact CD1-CD1 4.32Å; I377-I386 HydrophobicContact CG2-CD1 3.59Å; V383-I386 PolarHBondContact O-N 3.4Å; I386-K388 PolarHBondContact O-N 3.16Å; I386-E389 PolarHBondContact O-N 3.46Å; I386-I390 HydrophobicContact CG2-CD1 4.22Å; I386-I390 VanDerWaalsContact O-CB 3.25Å; I386-I390 WeakPolarHBondContact O-CB 3.14Å; I386-I390 PolarHBondContact O-N 2.94Å; I386-L411 HydrophobicContact CG2-CD1 4.14Å
387E85.1Confident87.9Confident58 Ų5850.4 Ų50.427%0.27126%0.258SS..Hα-helixtrans-63.7-25.9-178.3-63.2-167.5131.700113.6V383 C415 R419V383-E387 WeakPolarHBondContact O-CG 3.41Å; V383-E387 PolarHBondContact O-N 3.23Å; E387-C415 HydrophobicContact CG-CB 3.69Å; E387-C415 WeakPolarHBondContact OE1-CB 3.32Å; E387-R419 VanDerWaalsContact CD-NH2 3.25Å; E387-R419 IonicContact OE1-CZ 3.5Å; E387-R419 VanDerWaalsContact OE1-CZ 3.29Å; E387-R419 IonicContact OE1-NE 3.45Å; E387-R419 PolarHBondContact OE1-NE 3.15Å; E387-R419 IonicContact OE1-NH2 3.86Å; E387-R419 PolarHBondContact OE1-NH2 2.82Å; E387-R419 IonicContact OE2-CZ 2.7Å; E387-R419 IonicContact OE2-NE 2.95Å; E387-R419 PolarHBondContact OE2-NE 2.84Å; E387-R419 IonicContact OE2-NH2 3.67Å; E387-R419 PolarHBondContact OE2-NH2 2.68Å
388K86.4Confident87Confident147 Ų14754.3 Ų54.364%0.63930%0.302SS*.Hα-helixtrans-81.7-29179.5-75.3171.9-177.1163.20113.3S384 W385 I386S384-K388 WeakPolarHBondContact O-CD 3.26Å; S384-K388 VanDerWaalsContact O-CG 3.24Å; S384-K388 WeakPolarHBondContact O-CG 3.35Å; S384-K388 PolarHBondContact OG-NZ 2.89Å; S384-K388 VanDerWaalsContact OG-NZ 3.08Å; W385-K388 PolarHBondContact O-N 2.9Å; I386-K388 PolarHBondContact O-N 3.16Å
389E86.4Confident86.2Confident48 Ų4855.8 Ų55.822%0.22432%0.316CS..Hα-helixtrans-122.1-2.9-164.7-59.6174.7178.900113W385 I386 D391 D392 L393 R396W385-E389 WeakPolarHBondContact O-CB 3.48Å; W385-E389 WeakPolarHBondContact O-CG 3.46Å; W385-E389 PolarHBondContact O-N 3.05Å; I386-E389 PolarHBondContact O-N 3.46Å; E389-D391 PolarHBondContact O-N 3.49Å; E389-D391 VanDerWaalsContact O-N 3.09Å; E389-D392 CarbonylContact O-C 3.6Å; E389-D392 PolarHBondContact O-N 2.81Å; E389-L393 HydrophobicContact CB-CG 4.5Å; E389-L393 WeakPolarHBondContact O-CG 3.47Å; E389-L393 PolarHBondContact O-N 2.97Å; E389-R396 IonicContact OE1-CZ 2.76Å; E389-R396 IonicContact OE1-NH1 2.75Å; E389-R396 IonicContact OE1-NH2 3.19Å; E389-R396 PolarHBondContact OE1-NH2 3.24Å; E389-R396 IonicContact OE2-CZ 3.8Å; E389-R396 IonicContact OE2-NE 3.56Å; E389-R396 IonicContact OE2-NH1 3.88Å; E389-R396 PolarHBondContact OE2-NH1 3.39Å; E389-R396 IonicContact OE2-NH2 3.99Å; E389-R396 PolarHBondContact OE2-NH2 2.92Å
390I81.4Confident85.4Confident5 Ų556.4 Ų56.43%0.02632%0.323CS..THydrogen-bonded Turntrans-55.1-33.6-173.3-168.9148.5000114I386 V403 K408 L411I386-I390 HydrophobicContact CG2-CD1 4.22Å; I386-I390 VanDerWaalsContact O-CB 3.25Å; I386-I390 WeakPolarHBondContact O-CB 3.14Å; I386-I390 PolarHBondContact O-N 2.94Å; I390-V403 HydrophobicContact CG1-CG1 4.32Å; I390-K408 HydrophobicContact CD1-CB 4.41Å; I390-K408 HydrophobicContact CD1-CG 4.42Å; I390-K408 HydrophobicContact CG1-CB 4.36Å; I390-K408 HydrophobicContact CG1-CG 3.93Å; I390-L411 HydrophobicContact CD1-CB 3.46Å; I390-L411 VanDerWaalsContact CD1-CB 3.46Å; I390-L411 HydrophobicContact CD1-CD1 3.41Å; I390-L411 VanDerWaalsContact CD1-CD1 3.41Å; I390-L411 HydrophobicContact CD1-CG 4.04Å
391D79.3Confident84.9Confident99 Ų9958.8 Ų58.853%0.52933%0.333SS..THydrogen-bonded Turntrans-83.8-20.1177.6-69.8-48.1000113.6E389 K408E389-D391 PolarHBondContact O-N 3.49Å; E389-D391 VanDerWaalsContact O-N 3.09Å; D391-K408 WeakPolarHBondContact OD1-CD 3.33Å; D391-K408 WeakPolarHBondContact OD1-CE 3.33Å; D391-K408 IonicContact OD1-NZ 3.43Å; D391-K408 PolarHBondContact OD1-NZ 3.34Å
392D82.8Confident84.5Confident110 Ų11060 Ų6059%0.58835%0.346SS*.THydrogen-bonded Turntrans-107-2.6-174.5-61.8-41.7000113.1E389 A394 D395E389-D392 CarbonylContact O-C 3.6Å; E389-D392 PolarHBondContact O-N 2.81Å; D392-A394 PolarHBondContact O-N 2.91Å; D392-D395 PolarHBondContact O-N 2.85Å
393L80Confident84.1Confident10 Ų1060.8 Ų60.85%0.05235%0.352CS..G310 helixtrans-59.3-30.2-174.8-93.7167.4000113.7W385 E389 D395 G400 F401 V403W385-L393 HydrophobicContact CZ3-CD1 4.24Å; W385-L393 HydrophobicContact CZ3-CD2 4.12Å; E389-L393 HydrophobicContact CB-CG 4.5Å; E389-L393 WeakPolarHBondContact O-CG 3.47Å; E389-L393 PolarHBondContact O-N 2.97Å; L393-D395 VanDerWaalsContact C-N 3.27Å; L393-D395 PolarHBondContact O-N 3.36Å; L393-G400 VanDerWaalsContact O-CA 3.27Å; L393-G400 WeakPolarHBondContact O-CA 3.2Å; L393-F401 CarbonylContact C-O 3.58Å; L393-F401 PolarHBondContact O-N 3.46Å; L393-V403 HydrophobicContact CB-CG2 3.98Å; L393-V403 HydrophobicContact CD1-CG2 3.75Å
394A76.9Confident84Confident37 Ų3763.3 Ų63.331%0.30637%0.369SS..G310 helixtrans-69.4-24.8-176.200000113.6K316 D392 F401K316-A394 WeakPolarHBondContact CE-O 3.4Å; K316-A394 PolarHBondContact NZ-O 2.98Å; D392-A394 PolarHBondContact O-N 2.91Å; A394-F401 WeakPolarHBondContact CA-O 3.4Å; A394-F401 PolarHBondContact N-O 3.49Å
395D80.1Confident84.1Confident130 Ų13068.1 Ų68.170%0.69539%0.388SS*.G310 helixtrans-107.98.7-171.5-65.9-32.4000113.2K316 D392 L393 P397K316-D395 IonicContact NZ-OD1 3.12Å; D392-D395 PolarHBondContact O-N 2.85Å; L393-D395 VanDerWaalsContact C-N 3.27Å; L393-D395 PolarHBondContact O-N 3.36Å; D395-P397 VanDerWaalsContact O-CD 3.31Å; D395-P397 WeakPolarHBondContact O-CD 3.11Å
396R78.4Confident84.5Confident106 Ų10669 Ų6940%0.440%0.395SS..  trans-64.5120.8177.9-114.7-173.9164.6164.47.7111.9E389 G398 A399 G400E389-R396 IonicContact OE1-CZ 2.76Å; E389-R396 IonicContact OE1-NH1 2.75Å; E389-R396 IonicContact OE1-NH2 3.19Å; E389-R396 PolarHBondContact OE1-NH2 3.24Å; E389-R396 IonicContact OE2-CZ 3.8Å; E389-R396 IonicContact OE2-NE 3.56Å; E389-R396 IonicContact OE2-NH1 3.88Å; E389-R396 PolarHBondContact OE2-NH1 3.39Å; E389-R396 IonicContact OE2-NH2 3.99Å; E389-R396 PolarHBondContact OE2-NH2 2.92Å; R396-G398 PolarHBondContact O-N 3.14Å; R396-G398 VanDerWaalsContact O-N 3.12Å; R396-A399 PolarHBondContact O-N 2.91Å; R396-G400 PolarHBondContact O-N 3.29Å; R396-G400 VanDerWaalsContact O-N 3.15Å
397P81.2Confident84.9Confident132 Ų13269.7 Ų69.786%0.85740%0.399SS*.THydrogen-bonded Turntrans-60.7117.7177.8-23.834.3000111.7D395 A399D395-P397 VanDerWaalsContact O-CD 3.31Å; D395-P397 WeakPolarHBondContact O-CD 3.11Å; P397-A399 PolarHBondContact O-N 3.36Å
398G78.3Confident85.2Confident94 Ų9468.3 Ų68.397%0.96939%0.392SS*.THydrogen-bonded Turntrans75.20.117700000116.1R396R396-G398 PolarHBondContact O-N 3.14Å; R396-G398 VanDerWaalsContact O-N 3.12Å
399A80.9Confident85.6Confident46 Ų4666.5 Ų66.538%0.3838%0.381SS..  trans-146.833.7-179.400000112R396 P397 F401R396-A399 PolarHBondContact O-N 2.91Å; P397-A399 PolarHBondContact O-N 3.36Å; A399-F401 WeakPolarHBondContact O-CD2 3.3Å
400G82Confident86Confident14 Ų1464.3 Ų64.314%0.14437%0.371CS..  trans-75.3126.8-177.500000112.1L393 R396L393-G400 VanDerWaalsContact O-CA 3.27Å; L393-G400 WeakPolarHBondContact O-CA 3.2Å; R396-G400 PolarHBondContact O-N 3.29Å; R396-G400 VanDerWaalsContact O-N 3.15Å
401F88.6Confident86.6Confident57 Ų5764.2 Ų64.225%0.2537%0.371CS..  trans-116.8140.9174.9-75.6-93.2000111.1P317 V319 A375 L393 A394 A399P317-F401 HydrophobicContact CB-CD1 4.02Å; P317-F401 HydrophobicContact CB-CE1 3.93Å; P317-F401 HydrophobicContact CG-CE1 4.37Å; P317-F401 CarbonylContact O-C 3.6Å; P317-F401 VanDerWaalsContact O-CA 3.29Å; P317-F401 WeakPolarHBondContact O-CA 3.19Å; P317-F401 VanDerWaalsContact O-CD1 3.31Å; P317-F401 WeakPolarHBondContact O-CD1 3.4Å; V319-F401 HydrophobicContact CG2-CB 3.93Å; V319-F401 HydrophobicContact CG2-CD1 4.24Å; V319-F401 HydrophobicContact CG2-CG 4.34Å; A375-F401 HydrophobicContact CB-CD1 4.11Å; A375-F401 HydrophobicContact CB-CE1 3.53Å; A375-F401 HydrophobicContact CB-CZ 4.2Å; L393-F401 CarbonylContact C-O 3.58Å; L393-F401 PolarHBondContact O-N 3.46Å; A394-F401 WeakPolarHBondContact CA-O 3.4Å; A394-F401 PolarHBondContact N-O 3.49Å; A399-F401 WeakPolarHBondContact O-CD2 3.3Å
402A88.9Confident87.2Confident41 Ų4164.3 Ų64.334%0.33937%0.368SS..BIsolated β-bridgetrans-81.8116.9172.100000109.8P317 P318 V319P317-A402 PolarHBondContact O-N 2.83Å; P318-A402 CarbonylContact C-O 3.58Å; P318-A402 WeakPolarHBondContact CA-O 2.83Å; V319-A402 PolarHBondContact N-O 3.4Å; V319-A402 VanDerWaalsContact N-O 3.12Å
403V90.3Very high87.8Confident21 Ų2164.7 Ų64.713%0.12737%0.366CS..  trans-114.3109.9175.3-165.90000108.4V319 I390 L393 N407 K408V319-V403 HydrophobicContact CB-CG2 4.33Å; V319-V403 HydrophobicContact CG2-CG2 3.81Å; I390-V403 HydrophobicContact CG1-CG1 4.32Å; L393-V403 HydrophobicContact CB-CG2 3.98Å; L393-V403 HydrophobicContact CD1-CG2 3.75Å; V403-N407 HydrophobicContact CG1-CB 3.86Å; V403-K408 HydrophobicContact CB-CG 4.37Å; V403-K408 HydrophobicContact CG1-CG 3.68Å
404S92.5Very high88.6Confident56 Ų5664.7 Ų64.739%0.39237%0.367SS..  trans-65153174.966.90000111E406 N407 K408S404-E406 PolarHBondContact O-N 3.35Å; S404-N407 WeakPolarHBondContact O-CA 3.46Å; S404-N407 WeakPolarHBondContact O-CB 3.15Å; S404-N407 PolarHBondContact O-N 3.15Å; S404-N407 WeakPolarHBondContact OG-CB 3.5Å; S404-N407 PolarHBondContact OG-N 3.23Å; S404-N407 PolarHBondContact OG-ND2 3.45Å; S404-N407 VanDerWaalsContact OG-ND2 3.09Å; S404-K408 WeakPolarHBondContact O-CG 3.45Å; S404-K408 PolarHBondContact O-N 3.47Å
405E93.1Very high89.5Confident135 Ų13563 Ų6363%0.63135%0.352SS*.Hα-helixtrans-58.2-32.5178-66.3-59.9121.500112.6K408 R409E405-K408 PolarHBondContact O-N 2.89Å; E405-K408 WeakPolarHBondContact OE1-CE 3.3Å; E405-K408 IonicContact OE1-NZ 2.68Å; E405-K408 PolarHBondContact OE1-NZ 3.06Å; E405-R409 PolarHBondContact O-N 2.95Å
406E95.4Very high90.3Very high99 Ų9959.3 Ų59.346%0.46334%0.335SS..Hα-helixtrans-65.2-44.2172.9177.956.1-163.800111.8S404 K408 R409 V410S404-E406 PolarHBondContact O-N 3.35Å; E406-K408 VanDerWaalsContact C-N 3.29Å; E406-K408 PolarHBondContact O-N 3.08Å; E406-R409 WeakPolarHBondContact O-CB 3.38Å; E406-R409 PolarHBondContact O-N 3.26Å; E406-R409 IonicContact OE1-CZ 3.51Å; E406-R409 IonicContact OE1-NE 3.42Å; E406-R409 IonicContact OE1-NH2 2.7Å; E406-R409 PolarHBondContact OE1-NH2 3.37Å; E406-R409 IonicContact OE2-CZ 3.7Å; E406-R409 IonicContact OE2-NE 3.96Å; E406-R409 PolarHBondContact OE2-NE 2.91Å; E406-R409 IonicContact OE2-NH2 3.4Å; E406-V410 WeakPolarHBondContact O-CG2 3.38Å; E406-V410 PolarHBondContact O-N 2.99Å
407N94.4Very high91.2Very high18 Ų1857.1 Ų57.110%0.09633%0.327CS..Hα-helixtrans-63.8-35.9175.4-78.2-34.6000112.1V319 T321 V403 S404 V410 L411V319-N407 PolarHBondContact O-ND2 3.14Å; T321-N407 HydrophobicContact CG2-CB 3.79Å; T321-N407 VanDerWaalsContact CG2-OD1 3.29Å; T321-N407 WeakPolarHBondContact CG2-OD1 3.36Å; T321-N407 PolarHBondContact OG1-OD1 3.17Å; V403-N407 HydrophobicContact CG1-CB 3.86Å; S404-N407 WeakPolarHBondContact O-CA 3.46Å; S404-N407 WeakPolarHBondContact O-CB 3.15Å; S404-N407 PolarHBondContact O-N 3.15Å; S404-N407 WeakPolarHBondContact OG-CB 3.5Å; S404-N407 PolarHBondContact OG-N 3.23Å; S404-N407 PolarHBondContact OG-ND2 3.45Å; S404-N407 VanDerWaalsContact OG-ND2 3.09Å; N407-V410 PolarHBondContact O-N 3.27Å; N407-L411 WeakPolarHBondContact O-CB 3.35Å; N407-L411 WeakPolarHBondContact O-CG 3.26Å; N407-L411 PolarHBondContact O-N 3.13Å
408K92.1Very high92.1Very high29 Ų2951 Ų5113%0.12629%0.287CS..Hα-helixtrans-62.2-48.3173.2-60.6-173.1179.9174.20111.6I390 D391 V403 S404 E405 E406 V410 L411 H412I390-K408 HydrophobicContact CD1-CB 4.41Å; I390-K408 HydrophobicContact CD1-CG 4.42Å; I390-K408 HydrophobicContact CG1-CB 4.36Å; I390-K408 HydrophobicContact CG1-CG 3.93Å; D391-K408 WeakPolarHBondContact OD1-CD 3.33Å; D391-K408 WeakPolarHBondContact OD1-CE 3.33Å; D391-K408 IonicContact OD1-NZ 3.43Å; D391-K408 PolarHBondContact OD1-NZ 3.34Å; V403-K408 HydrophobicContact CB-CG 4.37Å; V403-K408 HydrophobicContact CG1-CG 3.68Å; S404-K408 WeakPolarHBondContact O-CG 3.45Å; S404-K408 PolarHBondContact O-N 3.47Å; E405-K408 PolarHBondContact O-N 2.89Å; E405-K408 WeakPolarHBondContact OE1-CE 3.3Å; E405-K408 IonicContact OE1-NZ 2.68Å; E405-K408 PolarHBondContact OE1-NZ 3.06Å; E406-K408 VanDerWaalsContact C-N 3.29Å; E406-K408 PolarHBondContact O-N 3.08Å; K408-V410 VanDerWaalsContact C-N 3.33Å; K408-V410 PolarHBondContact O-N 2.66Å; K408-L411 PolarHBondContact O-N 2.76Å; K408-H412 PolarHBondContact O-CD2 2.75Å; K408-H412 PolarHBondContact O-N 3.19Å
409R94.3Very high93Very high109 Ų10952.9 Ų52.941%0.41127%0.265SS..Hα-helixtrans-54.8-49.3176.6-173-16970.277.40.6111.1E405 E406 L411 H412 E413E405-R409 PolarHBondContact O-N 2.95Å; E406-R409 WeakPolarHBondContact O-CB 3.38Å; E406-R409 PolarHBondContact O-N 3.26Å; E406-R409 IonicContact OE1-CZ 3.51Å; E406-R409 IonicContact OE1-NE 3.42Å; E406-R409 IonicContact OE1-NH2 2.7Å; E406-R409 PolarHBondContact OE1-NH2 3.37Å; E406-R409 IonicContact OE2-CZ 3.7Å; E406-R409 IonicContact OE2-NE 3.96Å; E406-R409 PolarHBondContact OE2-NE 2.91Å; E406-R409 IonicContact OE2-NH2 3.4Å; R409-L411 VanDerWaalsContact C-N 3.34Å; R409-L411 PolarHBondContact O-N 2.85Å; R409-H412 PolarHBondContact O-N 3.45Å; R409-E413 IonicContact CZ-OE1 3.38Å; R409-E413 IonicContact NH1-OE1 3.13Å; R409-E413 PolarHBondContact NH1-OE1 3.12Å; R409-E413 IonicContact NH1-OE2 2.75Å; R409-E413 PolarHBondContact NH1-OE2 3.23Å; R409-E413 VanDerWaalsContact NH1-OE2 3.12Å; R409-E413 PolarHBondContact O-N 3.32Å; R409-E413 VanDerWaalsContact O-N 3.16Å
410V95.9Very high93.8Very high2 Ų253 Ų531%0.01227%0.27CS..Hα-helixtrans-59.1-44.6178.3169.60000111.7T321 Q325 E406 N407 K408 E413 V414T321-V410 HydrophobicContact CG2-CB 4.42Å; T321-V410 HydrophobicContact CG2-CG1 4.19Å; Q325-V410 HydrophobicContact CG-CG1 3.32Å; E406-V410 WeakPolarHBondContact O-CG2 3.38Å; E406-V410 PolarHBondContact O-N 2.99Å; N407-V410 PolarHBondContact O-N 3.27Å; K408-V410 VanDerWaalsContact C-N 3.33Å; K408-V410 PolarHBondContact O-N 2.66Å; V410-E413 WeakPolarHBondContact O-CB 3.47Å; V410-E413 PolarHBondContact O-N 3.14Å; V410-E413 VanDerWaalsContact O-N 3.14Å; V410-V414 HydrophobicContact CG1-CG2 4.32Å; V410-V414 WeakPolarHBondContact O-CG2 3.3Å; V410-V414 PolarHBondContact O-N 3Å
411L93.7Very high94.5Very high4 Ų455.3 Ų55.32%0.02128%0.278CS..Hα-helixtrans-69.2-34.4180-70.5172.1000112.5T321 A324 I377 I386 I390 N407 K408 R409 E413 V414 C415T321-L411 HydrophobicContact CG2-CD1 3.95Å; T321-L411 HydrophobicContact CG2-CD2 4.03Å; T321-L411 HydrophobicContact CG2-CG 3.71Å; A324-L411 HydrophobicContact CB-CD2 4.44Å; I377-L411 HydrophobicContact CB-CD2 4.14Å; I377-L411 HydrophobicContact CG1-CD1 4.16Å; I377-L411 HydrophobicContact CG1-CD2 4.05Å; I377-L411 HydrophobicContact CG2-CD2 3.79Å; I386-L411 HydrophobicContact CG2-CD1 4.14Å; I390-L411 HydrophobicContact CD1-CB 3.46Å; I390-L411 VanDerWaalsContact CD1-CB 3.46Å; I390-L411 HydrophobicContact CD1-CD1 3.41Å; I390-L411 VanDerWaalsContact CD1-CD1 3.41Å; I390-L411 HydrophobicContact CD1-CG 4.04Å; N407-L411 WeakPolarHBondContact O-CB 3.35Å; N407-L411 WeakPolarHBondContact O-CG 3.26Å; N407-L411 PolarHBondContact O-N 3.13Å; K408-L411 PolarHBondContact O-N 2.76Å; R409-L411 VanDerWaalsContact C-N 3.34Å; R409-L411 PolarHBondContact O-N 2.85Å; L411-E413 PolarHBondContact O-N 3.23Å; L411-V414 PolarHBondContact O-N 2.72Å; L411-C415 VanDerWaalsContact O-CB 3.24Å; L411-C415 WeakPolarHBondContact O-CB 3.23Å; L411-C415 PolarHBondContact O-N 3.41Å; L411-C415 PolarHBondContact O-SG 3.21Å
412H92Very high95Very high100 Ų10052.6 Ų52.646%0.46327%0.266SS..Hα-helixtrans-63.4-26.6170.8-78.1-60.8000113.4K408 R409 P416K408-H412 PolarHBondContact O-CD2 2.75Å; K408-H412 PolarHBondContact O-N 3.19Å; R409-H412 PolarHBondContact O-N 3.45Å; H412-P416 WeakPolarHBondContact O-CD 3.45Å; H412-P416 WeakPolarHBondContact O-CG 3.43Å
413E95Very high95.4Very high119 Ų11953.4 Ų53.456%0.55627%0.266SS*.Hα-helixtrans-81.1-41.1173.7-70.8172.6-175.100112R409 V410 L411R409-E413 IonicContact CZ-OE1 3.38Å; R409-E413 IonicContact NH1-OE1 3.13Å; R409-E413 PolarHBondContact NH1-OE1 3.12Å; R409-E413 IonicContact NH1-OE2 2.75Å; R409-E413 PolarHBondContact NH1-OE2 3.23Å; R409-E413 VanDerWaalsContact NH1-OE2 3.12Å; R409-E413 PolarHBondContact O-N 3.32Å; R409-E413 VanDerWaalsContact O-N 3.16Å; V410-E413 WeakPolarHBondContact O-CB 3.47Å; V410-E413 PolarHBondContact O-N 3.14Å; V410-E413 VanDerWaalsContact O-N 3.14Å; L411-E413 PolarHBondContact O-N 3.23Å
414V96.3Very high95.8Very high10 Ų1053.1 Ų53.16%0.06126%0.263CS..Hα-helixtrans-77-49.1-175.6167.60000112.7A324 Q325 T328 P379 V410 L411 W417A324-V414 HydrophobicContact CB-CG1 4.19Å; Q325-V414 HydrophobicContact CG-CG2 4.24Å; T328-V414 HydrophobicContact CG2-CG1 4.45Å; T328-V414 WeakPolarHBondContact OG1-CG1 3.36Å; P379-V414 HydrophobicContact CB-CG1 4.32Å; P379-V414 HydrophobicContact CG-CG1 4.23Å; V410-V414 HydrophobicContact CG1-CG2 4.32Å; V410-V414 WeakPolarHBondContact O-CG2 3.3Å; V410-V414 PolarHBondContact O-N 3Å; L411-V414 PolarHBondContact O-N 2.72Å; V414-W417 PolarHBondContact O-N 3.07Å
415C96.6Very high96Very high1 Ų153.2 Ų53.21%0.00726%0.26CS..Hα-helixtrans-58.1-41.6-170-71.50000114.4V383 E387 L411 W417 W418V383-C415 HydrophobicContact CB-CB 3.98Å; V383-C415 HydrophobicContact CG1-CB 4.07Å; E387-C415 HydrophobicContact CG-CB 3.69Å; E387-C415 WeakPolarHBondContact OE1-CB 3.32Å; L411-C415 VanDerWaalsContact O-CB 3.24Å; L411-C415 WeakPolarHBondContact O-CB 3.23Å; L411-C415 PolarHBondContact O-N 3.41Å; L411-C415 PolarHBondContact O-SG 3.21Å; C415-W417 PolarHBondContact O-N 3.37Å; C415-W417 VanDerWaalsContact O-N 3.16Å; C415-W418 PolarHBondContact O-N 3.13Å
416P96.6Very high96.3Very high52 Ų5253.7 Ų53.734%0.33826%0.256SS..Hα-helixtrans-54.9-35.5178.3-30.937.8000114.8H412 W418H412-P416 WeakPolarHBondContact O-CD 3.45Å; H412-P416 WeakPolarHBondContact O-CG 3.43Å; P416-W418 VanDerWaalsContact C-N 3.32Å; P416-W418 PolarHBondContact O-N 3.03Å
417W98.1Very high96.4Very high61 Ų6150.8 Ų50.823%0.23125%0.246CC..Hα-helixtrans-68.8-32.7-178.9-172.782.6000112.1T328 Y331 Q332 L335 V414 C415 Q421T328-W417 HydrophobicContact CG2-CB 4.49Å; T328-W417 HydrophobicContact CG2-CD2 4.26Å; T328-W417 HydrophobicContact CG2-CE3 4.02Å; T328-W417 HydrophobicContact CG2-CG 4.46Å; Y331-W417 HydrophobicContact CD1-CH2 4.09Å; Y331-W417 HydrophobicContact CD1-CZ3 4.25Å; Y331-W417 HydrophobicContact CG-CH2 4.31Å; Y331-W417 HydrophobicContact CG-CZ3 4.38Å; Q332-W417 HydrophobicContact CB-CZ2 4.5Å; Q332-W417 HydrophobicContact CG-CD2 3.94Å; Q332-W417 HydrophobicContact CG-CG 4.35Å; Q332-W417 HydrophobicContact CG-CH2 4.42Å; Q332-W417 HydrophobicContact CG-CZ2 3.65Å; Q332-W417 VanDerWaalsContact NE2-CD1 3.27Å; L335-W417 HydrophobicContact CD2-CH2 4.31Å; L335-W417 HydrophobicContact CD2-CZ2 4.07Å; V414-W417 PolarHBondContact O-N 3.07Å; C415-W417 PolarHBondContact O-N 3.37Å; C415-W417 VanDerWaalsContact O-N 3.16Å; W417-Q421 PolarHBondContact O-NE2 3.33Å
418W98.4Very high96.5Very high4 Ų454 Ų542%0.01526%0.257CS..Hα-helixtrans-79.9-16.4-177.2-76.596.6000114.4T328 Y331 P379 E380 V383 C415 P416 G420 Q421 T422T328-W418 PolarHBondContact OG1-NE1 3.06Å; Y331-W418 AromaticContact CD1-CH2 3.56Å; Y331-W418 HydrophobicContact CD1-CH2 3.56Å; Y331-W418 HydrophobicContact CD1-CZ2 4.37Å; Y331-W418 HydrophobicContact CD1-CZ3 4.03Å; Y331-W418 AromaticContact CD2-CH2 3.97Å; Y331-W418 HydrophobicContact CD2-CH2 3.97Å; Y331-W418 HydrophobicContact CD2-CZ2 4.39Å; Y331-W418 AromaticContact CE1-CH2 3.66Å; Y331-W418 HydrophobicContact CE1-CH2 3.66Å; Y331-W418 AromaticContact CE1-CZ3 3.97Å; Y331-W418 HydrophobicContact CE1-CZ3 3.97Å; Y331-W418 HydrophobicContact CE2-CH2 4.05Å; Y331-W418 AromaticContact CG-CH2 3.71Å; Y331-W418 HydrophobicContact CG-CH2 3.71Å; Y331-W418 HydrophobicContact CG-CZ2 4.15Å; Y331-W418 AromaticContact CZ-CH2 3.88Å; P379-W418 HydrophobicContact CB-CB 4.49Å; P379-W418 HydrophobicContact CB-CD2 4.1Å; P379-W418 HydrophobicContact CB-CG 3.8Å; P379-W418 HydrophobicContact CG-CD2 4.23Å; P379-W418 HydrophobicContact CG-CG 4.32Å; P379-W418 HydrophobicContact CG-CZ2 4.11Å; E380-W418 VanDerWaalsContact CA-CZ3 3.43Å; E380-W418 HydrophobicContact CB-CE3 4.06Å; E380-W418 HydrophobicContact CB-CH2 3.59Å; E380-W418 HydrophobicContact CB-CZ2 4.43Å; E380-W418 HydrophobicContact CB-CZ3 3.37Å; V383-W418 HydrophobicContact CG1-CB 3.82Å; V383-W418 HydrophobicContact CG1-CG 4.48Å; V383-W418 HydrophobicContact CG2-CB 4.49Å; C415-W418 PolarHBondContact O-N 3.13Å; P416-W418 VanDerWaalsContact C-N 3.32Å; P416-W418 PolarHBondContact O-N 3.03Å; W418-G420 PolarHBondContact O-N 2.94Å; W418-Q421 HydrophobicContact CE3-CB 4.43Å; W418-Q421 WeakPolarHBondContact O-CA 3.46Å; W418-Q421 WeakPolarHBondContact O-CB 3.49Å; W418-Q421 PolarHBondContact O-N 3.04Å; W418-T422 HydrophobicContact CB-CG2 4.01Å; W418-T422 VanDerWaalsContact O-CG2 3.29Å; W418-T422 WeakPolarHBondContact O-CG2 3.09Å; W418-T422 PolarHBondContact O-N 2.89Å
419R97.2Very high96.8Very high133 Ų13355.7 Ų55.750%0.50228%0.283SS..THydrogen-bonded Turntrans-54.2129.8-180-63.4-174.5-171.1127.8-4.8111.5V383 E387 Q421V383-R419 HydrophobicContact CG2-CG 4.2Å; E387-R419 VanDerWaalsContact CD-NH2 3.25Å; E387-R419 IonicContact OE1-CZ 3.5Å; E387-R419 VanDerWaalsContact OE1-CZ 3.29Å; E387-R419 IonicContact OE1-NE 3.45Å; E387-R419 PolarHBondContact OE1-NE 3.15Å; E387-R419 IonicContact OE1-NH2 3.86Å; E387-R419 PolarHBondContact OE1-NH2 2.82Å; E387-R419 IonicContact OE2-CZ 2.7Å; E387-R419 IonicContact OE2-NE 2.95Å; E387-R419 PolarHBondContact OE2-NE 2.84Å; E387-R419 IonicContact OE2-NH2 3.67Å; E387-R419 PolarHBondContact OE2-NH2 2.68Å; R419-Q421 PolarHBondContact O-N 2.88Å
420G97.3Very high97Very high48 Ų4858.4 Ų58.450%0.49530%0.303SS..THydrogen-bonded Turntrans77.5-8.2-177.100000114.7W418 D425W418-G420 PolarHBondContact O-N 2.94Å; G420-D425 PolarHBondContact N-OD2 3.25Å
421Q98.3Very high97Very high63 Ų6360.9 Ų60.929%0.29431%0.313SS..THydrogen-bonded Turntrans-102.4-16.7176.5-53-167.181.600112.6W417 W418 R419W417-Q421 PolarHBondContact O-NE2 3.33Å; W418-Q421 HydrophobicContact CE3-CB 4.43Å; W418-Q421 WeakPolarHBondContact O-CA 3.46Å; W418-Q421 WeakPolarHBondContact O-CB 3.49Å; W418-Q421 PolarHBondContact O-N 3.04Å; R419-Q421 PolarHBondContact O-N 2.88Å
422T98.4Very high97.3Very high0 Ų064 Ų640%033%0.333CS..SBendtrans-68.4156.9-176.973.20000112.8P379 E380 Y381 V383 W418 Q424 D425 R426P379-T422 VanDerWaalsContact O-CG2 3.31Å; P379-T422 WeakPolarHBondContact O-CG2 3.46Å; E380-T422 VanDerWaalsContact O-CA 3.29Å; E380-T422 WeakPolarHBondContact O-CA 3.24Å; Y381-T422 WeakPolarHBondContact O-CB 3.37Å; V383-T422 HydrophobicContact CG1-CG2 4.44Å; V383-T422 HydrophobicContact CG2-CG2 4.21Å; W418-T422 HydrophobicContact CB-CG2 4.01Å; W418-T422 VanDerWaalsContact O-CG2 3.29Å; W418-T422 WeakPolarHBondContact O-CG2 3.09Å; W418-T422 PolarHBondContact O-N 2.89Å; T422-Q424 VanDerWaalsContact C-N 3.32Å; T422-Q424 PolarHBondContact O-N 2.97Å; T422-D425 PolarHBondContact O-N 2.7Å; T422-D425 WeakPolarHBondContact OG1-CB 3.47Å; T422-D425 PolarHBondContact OG1-N 3.42Å; T422-D425 PolarHBondContact OG1-OD2 3.46Å; T422-R426 WeakPolarHBondContact O-CG 3.12Å; T422-R426 PolarHBondContact O-N 3.47Å; T422-R426 VanDerWaalsContact O-N 3.1Å
423V98.2Very high97.6Very high58 Ų5865.7 Ų65.735%0.35235%0.345SS..Hα-helixtrans-56.5-48.1172.4175.20000110.4E380 Y381 D425 R426 C427E380-V423 PolarHBondContact O-N 2.92Å; Y381-V423 HydrophobicContact CD1-CG2 4.02Å; Y381-V423 PolarHBondContact O-N 2.81Å; V423-D425 PolarHBondContact O-N 2.87Å; V423-R426 PolarHBondContact O-N 3.2Å; V423-C427 PolarHBondContact O-N 3.46Å; V423-C427 PolarHBondContact O-SG 3.15Å
424Q97.7Very high97.7Very high14 Ų1467.1 Ų67.17%0.06535%0.352CS..Hα-helixtrans-58.6-49.2179.3-171.5171.251.300112.1Y381 T382 T422 R426 C427 Y428 E447 M450Y381-Q424 PolarHBondContact O-N 3.34Å; T382-Q424 PolarHBondContact OG1-OE1 2.84Å; T422-Q424 VanDerWaalsContact C-N 3.32Å; T422-Q424 PolarHBondContact O-N 2.97Å; Q424-R426 VanDerWaalsContact C-N 3.27Å; Q424-R426 PolarHBondContact O-N 2.96Å; Q424-C427 WeakPolarHBondContact O-CB 3.45Å; Q424-C427 PolarHBondContact O-N 3.22Å; Q424-Y428 HydrophobicContact CG-CD2 3.95Å; Q424-Y428 HydrophobicContact CG-CE2 3.98Å; Q424-Y428 WeakPolarHBondContact O-CD2 3.47Å; Q424-Y428 PolarHBondContact O-N 3.09Å; Q424-E447 PolarHBondContact NE2-OE1 2.86Å; Q424-M450 HydrophobicContact CB-CB 4.29Å; Q424-M450 HydrophobicContact CG-CB 4.25Å; Q424-M450 PolarHBondContact N-O 3.34Å
425D97.7Very high97.8Very high59 Ų5970.6 Ų70.632%0.31637%0.367SS..Hα-helixtrans-59-41.6-180-69.8-40.2000111.6G420 T422 V423 Y428 G429G420-D425 PolarHBondContact N-OD2 3.25Å; T422-D425 PolarHBondContact O-N 2.7Å; T422-D425 WeakPolarHBondContact OG1-CB 3.47Å; T422-D425 PolarHBondContact OG1-N 3.42Å; T422-D425 PolarHBondContact OG1-OD2 3.46Å; V423-D425 PolarHBondContact O-N 2.87Å; D425-Y428 PolarHBondContact O-N 3.45Å; D425-G429 PolarHBondContact O-N 2.78Å
426R98.1Very high97.8Very high144 Ų14474 Ų7454%0.54338%0.382SS..Hα-helixtrans-71.8-35.1-180-69.5-174174.8-164.11.9112.9T422 V423 Q424 G429 M430T422-R426 WeakPolarHBondContact O-CG 3.12Å; T422-R426 PolarHBondContact O-N 3.47Å; T422-R426 VanDerWaalsContact O-N 3.1Å; V423-R426 PolarHBondContact O-N 3.2Å; Q424-R426 VanDerWaalsContact C-N 3.27Å; Q424-R426 PolarHBondContact O-N 2.96Å; R426-G429 PolarHBondContact O-N 2.78Å; R426-M430 PolarHBondContact O-N 3.24Å
427C97.9Very high97.8Very high38 Ų3873.4 Ų73.426%0.25739%0.385SS..Hα-helixtrans-59.3-50.4170-72.90000110.9V423 Q424 G429 M430 F431 M450V423-C427 PolarHBondContact O-N 3.46Å; V423-C427 PolarHBondContact O-SG 3.15Å; Q424-C427 WeakPolarHBondContact O-CB 3.45Å; Q424-C427 PolarHBondContact O-N 3.22Å; C427-G429 PolarHBondContact O-N 3.21Å; C427-M430 PolarHBondContact O-N 3.38Å; C427-F431 HydrophobicContact CB-CE2 3.82Å; C427-F431 HydrophobicContact CB-CZ 3.9Å; C427-F431 WeakPolarHBondContact O-CD2 3.3Å; C427-F431 WeakPolarHBondContact O-CG 3.49Å; C427-F431 PolarHBondContact O-N 2.95Å; C427-M450 HydrophobicContact CB-CG 4.24Å; C427-M450 HydrophobicContact CB-SD 3.93Å
428Y96.9Very high97.8Very high85 Ų8573.4 Ų73.433%0.33339%0.389SS..Hα-helixtrans-66.2-25.7177.2-84.9-91.4000113.7Q424 D425 M430 F431 K436 M450Q424-Y428 HydrophobicContact CG-CD2 3.95Å; Q424-Y428 HydrophobicContact CG-CE2 3.98Å; Q424-Y428 WeakPolarHBondContact O-CD2 3.47Å; Q424-Y428 PolarHBondContact O-N 3.09Å; D425-Y428 PolarHBondContact O-N 3.45Å; Y428-M430 PolarHBondContact O-N 3.43Å; Y428-F431 HydrophobicContact CD1-CD2 4.37Å; Y428-F431 HydrophobicContact CD2-CD2 4.5Å; Y428-F431 HydrophobicContact CD2-CE2 4.41Å; Y428-F431 HydrophobicContact CG-CD2 4.27Å; Y428-K436 HydrophobicContact CD1-CG 4.27Å; Y428-K436 WeakPolarHBondContact O-CE 3.4Å; Y428-K436 PolarHBondContact O-NZ 3.01Å; Y428-M450 HydrophobicContact CD2-SD 4.4Å; Y428-M450 HydrophobicContact CE2-CE 4.15Å; Y428-M450 HydrophobicContact CE2-SD 4Å
429G97.4Very high97.7Very high66 Ų6674.7 Ų74.768%0.6840%0.396SS*.Hα-helixtrans-67.7-21.1170.200000114D425 R426 C427D425-G429 PolarHBondContact O-N 2.78Å; R426-G429 PolarHBondContact O-N 2.78Å; C427-G429 PolarHBondContact O-N 3.21Å
430M98.2Very high97.6Very high166 Ų16672.7 Ų72.782%0.81841%0.408SS*.Hα-helixtrans-107.8-23.8-178.7-68.7-176.764.700114.4R426 C427 Y428R426-M430 PolarHBondContact O-N 3.24Å; C427-M430 PolarHBondContact O-N 3.38Å; Y428-M430 PolarHBondContact O-N 3.43Å
431F97.8Very high97.6Very high53 Ų5375.2 Ų75.223%0.23241%0.414CS..  trans-62.1140.6-179.5-69.4-39.6000112.9C427 Y428 Q435 K436 L439 M450C427-F431 HydrophobicContact CB-CE2 3.82Å; C427-F431 HydrophobicContact CB-CZ 3.9Å; C427-F431 WeakPolarHBondContact O-CD2 3.3Å; C427-F431 WeakPolarHBondContact O-CG 3.49Å; C427-F431 PolarHBondContact O-N 2.95Å; Y428-F431 HydrophobicContact CD1-CD2 4.37Å; Y428-F431 HydrophobicContact CD2-CD2 4.5Å; Y428-F431 HydrophobicContact CD2-CE2 4.41Å; Y428-F431 HydrophobicContact CG-CD2 4.27Å; F431-Q435 VanDerWaalsContact CA-OE1 3.32Å; F431-Q435 HydrophobicContact CB-CB 4.06Å; F431-Q435 HydrophobicContact CD1-CB 4.31Å; F431-Q435 HydrophobicContact CG-CB 4.34Å; F431-K436 HydrophobicContact CB-CG 3.9Å; F431-K436 WeakPolarHBondContact O-CE 3.04Å; F431-L439 HydrophobicContact CD2-CD1 3.81Å; F431-L439 HydrophobicContact CE2-CD1 3.56Å; F431-L439 HydrophobicContact CZ-CD1 4.14Å; F431-M450 HydrophobicContact CE2-SD 3.6Å; F431-M450 VanDerWaalsContact CE2-SD 3.6Å; F431-M450 HydrophobicContact CZ-SD 3.85Å
432T98.4Very high97.5Very high70 Ų7073.5 Ų73.543%0.42941%0.414SS..  trans-67.6160.7168.270.30000110.7E434 Q435 K436T432-E434 PolarHBondContact O-N 2.88Å; T432-Q435 WeakPolarHBondContact O-CB 3.31Å; T432-Q435 PolarHBondContact O-N 3.22Å; T432-Q435 VanDerWaalsContact O-N 3.11Å; T432-Q435 VanDerWaalsContact OG1-CG 3.31Å; T432-Q435 WeakPolarHBondContact OG1-CG 3.37Å; T432-Q435 PolarHBondContact OG1-N 2.85Å; T432-K436 WeakPolarHBondContact O-CG 3.36Å; T432-K436 PolarHBondContact O-N 3.46Å
433D98.3Very high97.4Very high136 Ų13679.7 Ų79.773%0.72745%0.445SS*.Hα-helixtrans-62.4-33.8177.5-64.1-30.5000112.2K436 G437D433-K436 PolarHBondContact O-N 3.4Å; D433-G437 PolarHBondContact O-N 2.89Å
434E98.3Very high97.4Very high148 Ų14881.8 Ų81.869%0.69245%0.453SS*.Hα-helixtrans-60.2-47.3172-179.1-179-157.200111.3T432 K436 G437 L438T432-E434 PolarHBondContact O-N 2.88Å; E434-K436 PolarHBondContact O-N 3.37Å; E434-G437 PolarHBondContact O-N 2.8Å; E434-L438 HydrophobicContact CG-CD1 4.27Å; E434-L438 WeakPolarHBondContact O-CG 3.46Å; E434-L438 PolarHBondContact O-N 2.94Å
435Q97.9Very high97.1Very high83 Ų8389.2 Ų89.239%0.38849%0.485SS..Hα-helixtrans-63.9-40.9179.4-71.8164.8-9.700111.8F431 T432 G437 L438 L439F431-Q435 VanDerWaalsContact CA-OE1 3.32Å; F431-Q435 HydrophobicContact CB-CB 4.06Å; F431-Q435 HydrophobicContact CD1-CB 4.31Å; F431-Q435 HydrophobicContact CG-CB 4.34Å; T432-Q435 WeakPolarHBondContact O-CB 3.31Å; T432-Q435 PolarHBondContact O-N 3.22Å; T432-Q435 VanDerWaalsContact O-N 3.11Å; T432-Q435 VanDerWaalsContact OG1-CG 3.31Å; T432-Q435 WeakPolarHBondContact OG1-CG 3.37Å; T432-Q435 PolarHBondContact OG1-N 2.85Å; Q435-G437 VanDerWaalsContact C-N 3.33Å; Q435-L438 PolarHBondContact O-N 3.4Å; Q435-L439 WeakPolarHBondContact O-CG 3.33Å; Q435-L439 PolarHBondContact O-N 2.93Å
436K97.3Very high96.9Very high74 Ų7488 Ų8832%0.32248%0.484SS..Hα-helixtrans-62-42.5173.4-68173.3-176.8170.80111.3Y428 F431 T432 D433 E434 L439 A440Y428-K436 HydrophobicContact CD1-CG 4.27Å; Y428-K436 WeakPolarHBondContact O-CE 3.4Å; Y428-K436 PolarHBondContact O-NZ 3.01Å; F431-K436 HydrophobicContact CB-CG 3.9Å; F431-K436 WeakPolarHBondContact O-CE 3.04Å; T432-K436 WeakPolarHBondContact O-CG 3.36Å; T432-K436 PolarHBondContact O-N 3.46Å; D433-K436 PolarHBondContact O-N 3.4Å; E434-K436 PolarHBondContact O-N 3.37Å; K436-L439 PolarHBondContact O-N 3.27Å; K436-A440 WeakPolarHBondContact O-CB 3.37Å; K436-A440 PolarHBondContact O-N 3.13Å
437G97Very high96.5Very high38 Ų3885.1 Ų85.139%0.39248%0.476SS..Hα-helixtrans-58.5-47.6174.200000112.2D433 E434 Q435 A440 T441D433-G437 PolarHBondContact O-N 2.89Å; E434-G437 PolarHBondContact O-N 2.8Å; Q435-G437 VanDerWaalsContact C-N 3.33Å; G437-A440 PolarHBondContact O-N 2.8Å; G437-T441 WeakPolarHBondContact O-CG2 3.4Å; G437-T441 PolarHBondContact O-N 2.75Å
438L97.5Very high96.1Very high61 Ų6185.1 Ų85.132%0.31948%0.483SS..Hα-helixtrans-59.3-48.9177.1-70.7167.5000112.2E434 Q435 A440 T441 G442 I443 I444E434-L438 HydrophobicContact CG-CD1 4.27Å; E434-L438 WeakPolarHBondContact O-CG 3.46Å; E434-L438 PolarHBondContact O-N 2.94Å; Q435-L438 PolarHBondContact O-N 3.4Å; L438-A440 VanDerWaalsContact C-N 3.32Å; L438-A440 PolarHBondContact O-N 3.19Å; L438-T441 PolarHBondContact O-N 2.98Å; L438-T441 PolarHBondContact O-OG1 2.72Å; L438-G442 PolarHBondContact O-N 3.31Å; L438-I443 HydrophobicContact CB-CG2 4.45Å; L438-I443 HydrophobicContact CD2-CG2 3.78Å; L438-I444 HydrophobicContact CD1-CD1 4.46Å
439L96.8Very high96Very high31 Ų3185.8 Ų85.816%0.16249%0.492CS..Hα-helixtrans-60.4-41.2177.7-71.1167.9000112F431 Q435 K436 T441 G442F431-L439 HydrophobicContact CD2-CD1 3.81Å; F431-L439 HydrophobicContact CE2-CD1 3.56Å; F431-L439 HydrophobicContact CZ-CD1 4.14Å; Q435-L439 WeakPolarHBondContact O-CG 3.33Å; Q435-L439 PolarHBondContact O-N 2.93Å; K436-L439 PolarHBondContact O-N 3.27Å; L439-T441 VanDerWaalsContact C-N 3.3Å; L439-T441 PolarHBondContact O-N 2.83Å; L439-G442 PolarHBondContact O-N 3.16Å
440A95.2Very high96Very high91 Ų9182.9 Ų82.975%0.75246%0.461SS*.Hα-helixtrans-63.2-33.5179.200000113K436 G437 L438 G442K436-A440 WeakPolarHBondContact O-CB 3.37Å; K436-A440 PolarHBondContact O-N 3.13Å; G437-A440 PolarHBondContact O-N 2.8Å; L438-A440 VanDerWaalsContact C-N 3.32Å; L438-A440 PolarHBondContact O-N 3.19Å; A440-G442 VanDerWaalsContact C-N 3.3Å
441T97.1Very high95.9Very high102 Ų10276.4 Ų76.463%0.62643%0.431SS*.Hα-helixtrans-73.5-22173.967.70000113.7G437 L438 L439 I443G437-T441 WeakPolarHBondContact O-CG2 3.4Å; G437-T441 PolarHBondContact O-N 2.75Å; L438-T441 PolarHBondContact O-N 2.98Å; L438-T441 PolarHBondContact O-OG1 2.72Å; L439-T441 VanDerWaalsContact C-N 3.3Å; L439-T441 PolarHBondContact O-N 2.83Å; T441-I443 VanDerWaalsContact C-N 3.27Å; T441-I443 PolarHBondContact O-N 3.04Å; T441-I443 WeakPolarHBondContact OG1-CG2 3.43Å; T441-I443 PolarHBondContact OG1-N 3.15Å
442G95Very high95.8Very high27 Ų2774.6 Ų74.628%0.27843%0.425SS..THydrogen-bonded Turntrans74.27.3-171.700000115.3L438 L439 A440 I444L438-G442 PolarHBondContact O-N 3.31Å; L439-G442 PolarHBondContact O-N 3.16Å; A440-G442 VanDerWaalsContact C-N 3.3Å; G442-I444 VanDerWaalsContact C-N 3.28Å; G442-I444 PolarHBondContact O-N 3.14Å
443I97Very high95.7Very high130 Ų13071.6 Ų71.667%0.66741%0.408SS*.SBendtrans-64-34.7175.6-165.6172.3000112.2L438 T441L438-I443 HydrophobicContact CB-CG2 4.45Å; L438-I443 HydrophobicContact CD2-CG2 3.78Å; T441-I443 VanDerWaalsContact C-N 3.27Å; T441-I443 PolarHBondContact O-N 3.04Å; T441-I443 WeakPolarHBondContact OG1-CG2 3.43Å; T441-I443 PolarHBondContact OG1-N 3.15Å
444I97Very high95.7Very high101 Ų10170.4 Ų70.452%0.51840%0.402SS..SBendtrans-122.7131.1167.2-62.9173.4000106.2L438 G442L438-I444 HydrophobicContact CD1-CD1 4.46Å; G442-I444 VanDerWaalsContact C-N 3.28Å; G442-I444 PolarHBondContact O-N 3.14Å
445K92.6Very high95.6Very high170 Ų17064.5 Ų64.574%0.73938%0.378SS*.  trans-124.9131.9176.9-72.2-169.9164.1-169.20110.1
446A93.6Very high95.6Very high35 Ų3566.1 Ų66.129%0.28939%0.385SS..  trans-130.622.7173.300000111.4G448 N449 M450A446-G448 VanDerWaalsContact C-N 3.28Å; A446-G448 PolarHBondContact O-N 3Å; A446-N449 PolarHBondContact O-N 3.45Å; A446-M450 PolarHBondContact O-N 3Å
447E89.2Confident95.6Very high82 Ų8266.6 Ų66.638%0.38339%0.391SS..Hα-helixtrans-59.3-38.2-173-169.565.5-171.500112Q424 N449 M450 T451Q424-E447 PolarHBondContact NE2-OE1 2.86Å; E447-N449 PolarHBondContact O-N 3.29Å; E447-M450 PolarHBondContact O-N 3.13Å; E447-M450 WeakPolarHBondContact OE2-CE 3.33Å; E447-T451 HydrophobicContact CG-CG2 4Å; E447-T451 WeakPolarHBondContact O-CB 3.27Å; E447-T451 WeakPolarHBondContact O-CG2 3.34Å; E447-T451 PolarHBondContact O-N 3.23Å; E447-T451 PolarHBondContact O-OG1 3.21Å; E447-T451 WeakPolarHBondContact OE1-CG2 3.19Å
448G90.2Very high95.7Very high38 Ų3867.5 Ų67.539%0.39240%0.395SS..Hα-helixtrans-56-50.6177.700000112.3A446 M450 T451 S452A446-G448 VanDerWaalsContact C-N 3.28Å; A446-G448 PolarHBondContact O-N 3Å; G448-M450 VanDerWaalsContact C-N 3.26Å; G448-M450 PolarHBondContact O-N 2.69Å; G448-T451 PolarHBondContact O-N 2.84Å; G448-S452 PolarHBondContact O-N 2.89Å; G448-S452 PolarHBondContact O-OG 3.22Å
449N94.5Very high95.7Very high100 Ų10066.7 Ų66.754%0.53539%0.392SS..Hα-helixtrans-66.3-25.8-179.5-55.581.7000113.7A446 E447A446-N449 PolarHBondContact O-N 3.45Å; E447-N449 PolarHBondContact O-N 3.29Å
450M96.4Very high95.8Very high5 Ų569.9 Ų69.93%0.02541%0.409CS..Hα-helixtrans-87-22.5179.3-64.5-173.9-68.100112.8Y381 Q424 C427 Y428 F431 A446 E447 G448Y381-M450 VanDerWaalsContact O-O 3.09Å; Q424-M450 HydrophobicContact CB-CB 4.29Å; Q424-M450 HydrophobicContact CG-CB 4.25Å; Q424-M450 PolarHBondContact N-O 3.34Å; C427-M450 HydrophobicContact CB-CG 4.24Å; C427-M450 HydrophobicContact CB-SD 3.93Å; Y428-M450 HydrophobicContact CD2-SD 4.4Å; Y428-M450 HydrophobicContact CE2-CE 4.15Å; Y428-M450 HydrophobicContact CE2-SD 4Å; F431-M450 HydrophobicContact CE2-SD 3.6Å; F431-M450 VanDerWaalsContact CE2-SD 3.6Å; F431-M450 HydrophobicContact CZ-SD 3.85Å; A446-M450 PolarHBondContact O-N 3Å; E447-M450 PolarHBondContact O-N 3.13Å; E447-M450 WeakPolarHBondContact OE2-CE 3.33Å; G448-M450 VanDerWaalsContact C-N 3.26Å; G448-M450 PolarHBondContact O-N 2.69Å
451T96.4Very high96Very high29 Ų2965.6 Ų65.618%0.17837%0.374CS..Hα-helixtrans-110.7-9.6-17359.60000113.8Y381 T382 E447 G448 N571Y381-T451 WeakPolarHBondContact CB-O 3.3Å; T382-T451 HydrophobicContact CG2-CG2 3.75Å; E447-T451 HydrophobicContact CG-CG2 4Å; E447-T451 WeakPolarHBondContact O-CB 3.27Å; E447-T451 WeakPolarHBondContact O-CG2 3.34Å; E447-T451 PolarHBondContact O-N 3.23Å; E447-T451 PolarHBondContact O-OG1 3.21Å; E447-T451 WeakPolarHBondContact OE1-CG2 3.19Å; G448-T451 PolarHBondContact O-N 2.84Å; T451-N571 PolarHBondContact O-ND2 3.04Å
452S97Very high96.1Very high15 Ų1563.8 Ų63.811%0.10536%0.364CS..SBendtrans-135166.3171.974.60000112.7G448 N571G448-S452 PolarHBondContact O-N 2.89Å; G448-S452 PolarHBondContact O-OG 3.22Å; S452-N571 WeakPolarHBondContact CA-OD1 3.28Å; S452-N571 WeakPolarHBondContact CB-OD1 3.43Å
453G96.7Very high96.3Very high8 Ų865 Ų658%0.08236%0.363CS..  trans-65.5166.9160.400000111.6N571 G572G453-N571 PolarHBondContact N-OD1 3.33Å; G453-G572 WeakPolarHBondContact O-CA 3.38Å
454D96.9Very high96.3Very high110 Ų11059.3 Ų59.359%0.58833%0.334SS*.  trans-72.9-63.2-178.2-70.5-50.8000112.3H456D454-H456 PolarHBondContact O-N 3.24Å; D454-H456 PolarHBondContact O-ND1 2.8Å
455A96.9Very high96.4Very high24 Ų2454.7 Ų54.720%0.19831%0.311CS..  trans55-110.4-16600000112.4L457 G572 H573 V575A455-L457 WeakPolarHBondContact O-CD2 3.18Å; A455-L457 VanDerWaalsContact O-CG 3.25Å; A455-L457 WeakPolarHBondContact O-CG 3.01Å; A455-L457 PolarHBondContact O-N 2.88Å; A455-L457 VanDerWaalsContact O-N 3.11Å; A455-G572 WeakPolarHBondContact CB-O 3.37Å; A455-H573 WeakPolarHBondContact CB-O 3.42Å; A455-V575 HydrophobicContact CB-CG2 3.57Å
456H97.2Very high96.7Very high117 Ų11752.8 Ų52.854%0.54231%0.305SS..  trans46.644.3178.2-7078.1000114.3D454 H573 S574D454-H456 PolarHBondContact O-N 3.24Å; D454-H456 PolarHBondContact O-ND1 2.8Å; H456-H573 AromaticContact CE1-CD2 3.57Å; H456-H573 AromaticContact CE1-CE1 3.91Å; H456-H573 AromaticContact CE1-NE2 3.38Å; H456-H573 PolarHBondContact CE1-NE2 3.28Å; H456-H573 PolarHBondContact N-O 3.21Å; H456-H573 VanDerWaalsContact N-O 3.11Å; H456-H573 PolarHBondContact ND1-O 2.88Å; H456-H573 AromaticContact NE2-CD2 3.85Å; H456-H573 AromaticContact NE2-NE2 3.73Å; H456-S574 PolarHBondContact CD2-OG 3.22Å; H456-S574 PolarHBondContact NE2-OG 2.99Å; H456-S574 VanDerWaalsContact NE2-OG 3.14Å
457L98.3Very high97Very high85 Ų8555.3 Ų55.345%0.44531%0.309SS..SBendtrans-149163.1-174.359.681.2000111.6A455 V459 S576A455-L457 WeakPolarHBondContact O-CD2 3.18Å; A455-L457 VanDerWaalsContact O-CG 3.25Å; A455-L457 WeakPolarHBondContact O-CG 3.01Å; A455-L457 PolarHBondContact O-N 2.88Å; A455-L457 VanDerWaalsContact O-N 3.11Å; L457-V459 HydrophobicContact CD1-CG1 3.58Å; L457-S576 PolarHBondContact O-N 2.83Å
458A98.2Very high97.4Very high56 Ų5651.4 Ų51.446%0.46329%0.291SS..  trans-111126.7162.100000108.5S576A458-S576 VanDerWaalsContact CA-O 3.23Å; A458-S576 WeakPolarHBondContact CA-O 3.25Å; A458-S576 WeakPolarHBondContact CB-O 3.35Å
459V98.5Very high97.8Very high44 Ų4449.7 Ų49.727%0.26727%0.273SS..  trans-74.5166.2174-63.10000110.9L457 F461 I562 L566L457-V459 HydrophobicContact CD1-CG1 3.58Å; V459-F461 VanDerWaalsContact C-N 3.28Å; V459-F461 HydrophobicContact CG2-CD1 4.27Å; V459-F461 HydrophobicContact CG2-CD2 3.97Å; V459-F461 HydrophobicContact CG2-CE1 3.87Å; V459-F461 HydrophobicContact CG2-CE2 3.52Å; V459-F461 HydrophobicContact CG2-CG 4.33Å; V459-F461 HydrophobicContact CG2-CZ 3.47Å; V459-F461 VanDerWaalsContact CG2-CZ 3.47Å; V459-F461 WeakPolarHBondContact O-CD2 3.06Å; V459-F461 PolarHBondContact O-N 3.1Å; V459-I562 HydrophobicContact CG2-CG2 4.11Å; V459-L566 HydrophobicContact CB-CD1 4.36Å; V459-L566 HydrophobicContact CG1-CD1 3.56Å; V459-L566 HydrophobicContact CG1-CD2 4.22Å; V459-L566 HydrophobicContact CG2-CD1 3.86Å
460N98.7Very high98Very high98 Ų9847.6 Ų47.652%0.52426%0.262SS..  trans-80.873.6-177.9-166.4-14.8000111.6P462 L463 L464N460-P462 VanDerWaalsContact C-CD 3.5Å; N460-P462 WeakPolarHBondContact OD1-CD 3.41Å; N460-L463 HydrophobicContact CB-CB 4.1Å; N460-L463 VanDerWaalsContact CG-CB 3.47Å; N460-L463 PolarHBondContact O-N 2.81Å; N460-L463 PolarHBondContact OD1-N 2.91Å; N460-L463 VanDerWaalsContact OD1-N 3.09Å; N460-L464 PolarHBondContact O-N 2.93Å
461F98.8Very high98.1Very high1 Ų147.9 Ų47.90%0.00427%0.265CS..Hα-helixtrans-55.4-39.9174.5-66.3-77.2000113.6V459 L463 L464 L465 C559 I562 F577 Y583V459-F461 VanDerWaalsContact C-N 3.28Å; V459-F461 HydrophobicContact CG2-CD1 4.27Å; V459-F461 HydrophobicContact CG2-CD2 3.97Å; V459-F461 HydrophobicContact CG2-CE1 3.87Å; V459-F461 HydrophobicContact CG2-CE2 3.52Å; V459-F461 HydrophobicContact CG2-CG 4.33Å; V459-F461 HydrophobicContact CG2-CZ 3.47Å; V459-F461 VanDerWaalsContact CG2-CZ 3.47Å; V459-F461 WeakPolarHBondContact O-CD2 3.06Å; V459-F461 PolarHBondContact O-N 3.1Å; F461-L463 VanDerWaalsContact C-N 3.31Å; F461-L463 PolarHBondContact O-N 3.4Å; F461-L464 HydrophobicContact CD1-CD2 4.16Å; F461-L464 WeakPolarHBondContact O-CB 3.29Å; F461-L464 PolarHBondContact O-N 3.12Å; F461-L464 VanDerWaalsContact O-N 3.17Å; F461-L465 WeakPolarHBondContact O-CB 3.37Å; F461-L465 VanDerWaalsContact O-CG 3.25Å; F461-L465 WeakPolarHBondContact O-CG 3.3Å; F461-L465 PolarHBondContact O-N 3.15Å; F461-C559 HydrophobicContact CD1-CB 4.01Å; F461-C559 HydrophobicContact CE1-CB 4.14Å; F461-I562 HydrophobicContact CE1-CB 4.37Å; F461-I562 HydrophobicContact CE1-CG2 4.34Å; F461-F577 HydrophobicContact CD2-CD1 4.45Å; F461-F577 HydrophobicContact CE1-CD1 4Å; F461-F577 AromaticContact CE1-CE1 3.99Å; F461-F577 HydrophobicContact CE1-CE1 3.99Å; F461-F577 AromaticContact CE2-CD1 3.82Å; F461-F577 HydrophobicContact CE2-CD1 3.82Å; F461-F577 AromaticContact CZ-CD1 3.55Å; F461-F577 HydrophobicContact CZ-CD1 3.55Å; F461-F577 AromaticContact CZ-CE1 3.86Å; F461-F577 HydrophobicContact CZ-CE1 3.86Å; F461-Y583 HydrophobicContact CB-CD1 4.31Å; F461-Y583 HydrophobicContact CB-CD2 4.22Å; F461-Y583 HydrophobicContact CB-CE1 3.96Å; F461-Y583 HydrophobicContact CB-CE2 3.88Å; F461-Y583 HydrophobicContact CB-CG 4.43Å; F461-Y583 HydrophobicContact CD2-CE1 4.27Å; F461-Y583 HydrophobicContact CG-CE1 4.41Å; F461-Y583 HydrophobicContact CG-CE2 4.35Å; F461-Y583 AromaticContact CG-CZ 3.95Å
462P98.8Very high98.3Very high65 Ų6548 Ų4842%0.42227%0.265SS..Hα-helixtrans-55-43.6173.6-27.534000113.6N460 L465 E466 Y583N460-P462 VanDerWaalsContact C-CD 3.5Å; N460-P462 WeakPolarHBondContact OD1-CD 3.41Å; P462-L465 PolarHBondContact O-N 2.9Å; P462-E466 WeakPolarHBondContact O-CB 3.42Å; P462-E466 PolarHBondContact O-N 3.41Å; P462-Y583 HydrophobicContact CG-CD1 4.31Å; P462-Y583 HydrophobicContact CG-CG 4.4Å
463L98.7Very high98.3Very high51 Ų5151.1 Ų51.127%0.26727%0.274SS..Hα-helixtrans-64.1-42.7177.1177.566.6000111.8N460 F461 E466 K467 L472N460-L463 HydrophobicContact CB-CB 4.1Å; N460-L463 VanDerWaalsContact CG-CB 3.47Å; N460-L463 PolarHBondContact O-N 2.81Å; N460-L463 PolarHBondContact OD1-N 2.91Å; N460-L463 VanDerWaalsContact OD1-N 3.09Å; F461-L463 VanDerWaalsContact C-N 3.31Å; F461-L463 PolarHBondContact O-N 3.4Å; L463-E466 PolarHBondContact O-N 2.86Å; L463-K467 HydrophobicContact CD1-CG 3.81Å; L463-K467 WeakPolarHBondContact O-CB 3.4Å; L463-K467 PolarHBondContact O-N 2.83Å; L463-L472 HydrophobicContact CD2-CD2 4Å; L463-L472 HydrophobicContact CG-CD2 3.97Å
464L98.7Very high98.4Very high11 Ų1157.4 Ų57.46%0.05830%0.302CS..Hα-helixtrans-59.4-48.9175.6171.972.7000111.1N460 F461 E466 K467 G468 L469 L472 L558 I562N460-L464 PolarHBondContact O-N 2.93Å; F461-L464 HydrophobicContact CD1-CD2 4.16Å; F461-L464 WeakPolarHBondContact O-CB 3.29Å; F461-L464 PolarHBondContact O-N 3.12Å; F461-L464 VanDerWaalsContact O-N 3.17Å; L464-E466 VanDerWaalsContact C-N 3.32Å; L464-E466 PolarHBondContact O-N 3.48Å; L464-K467 PolarHBondContact O-N 2.65Å; L464-G468 WeakPolarHBondContact O-CA 3.2Å; L464-G468 PolarHBondContact O-N 3.39Å; L464-L469 HydrophobicContact CD1-CD2 4.35Å; L464-L472 HydrophobicContact CD1-CD1 3.92Å; L464-L558 HydrophobicContact CD1-CD1 4.35Å; L464-L558 HydrophobicContact CD1-CD2 4.19Å; L464-L558 HydrophobicContact CD1-CG 4.29Å; L464-L558 HydrophobicContact CD2-CD2 4.38Å; L464-L558 HydrophobicContact CD2-CG 3.98Å; L464-L558 HydrophobicContact CG-CD2 3.98Å; L464-L558 HydrophobicContact CG-CG 4.1Å; L464-I562 HydrophobicContact CD1-CD1 4.49Å; L464-I562 HydrophobicContact CD1-CG1 4.07Å; L464-I562 HydrophobicContact CD2-CB 4.1Å; L464-I562 HydrophobicContact CD2-CG1 3.44Å; L464-I562 VanDerWaalsContact CD2-CG1 3.44Å; L464-I562 HydrophobicContact CG-CG1 4.38Å
465L98.9Very high98.5Very high5 Ų558 Ų583%0.02630%0.299CS..Hα-helixtrans-68.1-31.3-178.4-68174.9000112.3F461 P462 P549 A555 Y583 L584 Y587F461-L465 WeakPolarHBondContact O-CB 3.37Å; F461-L465 VanDerWaalsContact O-CG 3.25Å; F461-L465 WeakPolarHBondContact O-CG 3.3Å; F461-L465 PolarHBondContact O-N 3.15Å; P462-L465 PolarHBondContact O-N 2.9Å; L465-P549 HydrophobicContact CD2-CG 3.51Å; L465-A555 HydrophobicContact CD2-CB 3.83Å; L465-Y583 HydrophobicContact CD1-CD2 3.52Å; L465-Y583 HydrophobicContact CD1-CE2 4.23Å; L465-Y583 HydrophobicContact CD1-CG 4.29Å; L465-L584 HydrophobicContact CD1-CD2 3.93Å; L465-Y587 HydrophobicContact CB-CE2 4.42Å; L465-Y587 HydrophobicContact CD1-CE2 4.14Å; L465-Y587 PolarHBondContact O-OH 3.33Å
466E98.7Very high98.6Very high130 Ų13057.6 Ų57.661%0.60729%0.294SS*.Hα-helixtrans-74.7-41.6176-173.3-166.1142.300112.2P462 L463 L464 P548P462-E466 WeakPolarHBondContact O-CB 3.42Å; P462-E466 PolarHBondContact O-N 3.41Å; L463-E466 PolarHBondContact O-N 2.86Å; L464-E466 VanDerWaalsContact C-N 3.32Å; L464-E466 PolarHBondContact O-N 3.48Å; E466-P548 WeakPolarHBondContact O-CG 3.42Å
467K98.7Very high98.7Very high88 Ų8854.9 Ų54.938%0.38329%0.292SS..Hα-helixtrans-97.3-27.5-169.9-68.2-69177.1-1710114.6L463 L464 G471 L472L463-K467 HydrophobicContact CD1-CG 3.81Å; L463-K467 WeakPolarHBondContact O-CB 3.4Å; L463-K467 PolarHBondContact O-N 2.83Å; L464-K467 PolarHBondContact O-N 2.65Å; K467-G471 VanDerWaalsContact O-CA 3.31Å; K467-G471 WeakPolarHBondContact O-CA 3.16Å; K467-G471 PolarHBondContact O-N 2.91Å; K467-L472 HydrophobicContact CB-CD2 4.49Å; K467-L472 HydrophobicContact CB-CG 4.41Å
468G98.7Very high98.7Very high0 Ų055 Ų550%029%0.29CS..Hα-helixtrans64.3-179.9-164.200000112.1L464 L472L464-G468 WeakPolarHBondContact O-CA 3.2Å; L464-G468 PolarHBondContact O-N 3.39Å; G468-L472 WeakPolarHBondContact O-CG 3.35Å; G468-L472 PolarHBondContact O-N 3.06Å; G468-L472 VanDerWaalsContact O-N 3.16Å
469L98.8Very high98.7Very high1 Ų156.4 Ų56.41%0.00528%0.283CS..Hα-helixtrans-70.3-40.2-178.6-71.2167.6000111.9L464 L472 R473 L504 V507 I511 A545 H546L464-L469 HydrophobicContact CD1-CD2 4.35Å; L469-L472 WeakPolarHBondContact O-CB 3.49Å; L469-L472 PolarHBondContact O-N 2.86Å; L469-R473 WeakPolarHBondContact O-CG 3.48Å; L469-R473 PolarHBondContact O-N 3.4Å; L469-L504 HydrophobicContact CD2-CD2 3.99Å; L469-V507 HydrophobicContact CD1-CG1 3.74Å; L469-V507 HydrophobicContact CD2-CB 4.44Å; L469-V507 HydrophobicContact CD2-CG1 3.92Å; L469-I511 HydrophobicContact CD1-CD1 3.71Å; L469-A545 WeakPolarHBondContact CD1-O 3.38Å; L469-H546 PolarHBondContact N-O 3.42Å
470D98.8Very high98.7Very high57 Ų5757.9 Ų57.931%0.30528%0.284SS..Hα-helixtrans-65.2-42176.3-82.5-13.6000112L472 R473 E474 H546D470-L472 VanDerWaalsContact C-N 3.25Å; D470-L472 PolarHBondContact O-N 2.9Å; D470-R473 CarbonylContact O-C 3.54Å; D470-R473 WeakPolarHBondContact O-CA 3.18Å; D470-R473 WeakPolarHBondContact O-CB 3.49Å; D470-R473 PolarHBondContact O-N 2.95Å; D470-R473 IonicContact OD1-NH1 2.64Å; D470-E474 WeakPolarHBondContact O-CG 3.14Å; D470-E474 PolarHBondContact O-N 3.19Å; D470-H546 WeakPolarHBondContact CB-O 3.45Å; D470-H546 PolarHBondContact N-O 3.1Å; D470-H546 IonicContact OD1-ND1 2.63Å; D470-H546 WeakPolarHBondContact OD2-CB 3.43Å; D470-H546 IonicContact OD2-ND1 3.31Å
471G98.8Very high98.7Very high10 Ų1057.8 Ų57.810%0.10329%0.291CS..Hα-helixtrans-64.8-29.5176.100000113.1K467 K475K467-G471 VanDerWaalsContact O-CA 3.31Å; K467-G471 WeakPolarHBondContact O-CA 3.16Å; K467-G471 PolarHBondContact O-N 2.91Å; G471-K475 PolarHBondContact O-N 2.93Å; G471-K475 VanDerWaalsContact O-N 3.16Å
472L98.9Very high98.7Very high31 Ų3164.5 Ų64.516%0.16232%0.316CS..Hα-helixtrans-69.6-40.2170.1-71.5176.1000111.6L463 L464 K467 G468 L469 D470 K475 V476 L504L463-L472 HydrophobicContact CD2-CD2 4Å; L463-L472 HydrophobicContact CG-CD2 3.97Å; L464-L472 HydrophobicContact CD1-CD1 3.92Å; K467-L472 HydrophobicContact CB-CD2 4.49Å; K467-L472 HydrophobicContact CB-CG 4.41Å; G468-L472 WeakPolarHBondContact O-CG 3.35Å; G468-L472 PolarHBondContact O-N 3.06Å; G468-L472 VanDerWaalsContact O-N 3.16Å; L469-L472 WeakPolarHBondContact O-CB 3.49Å; L469-L472 PolarHBondContact O-N 2.86Å; D470-L472 VanDerWaalsContact C-N 3.25Å; D470-L472 PolarHBondContact O-N 2.9Å; L472-K475 WeakPolarHBondContact O-CB 3.32Å; L472-K475 PolarHBondContact O-N 3.39Å; L472-V476 WeakPolarHBondContact O-CG2 3.44Å; L472-V476 PolarHBondContact O-N 3.24Å; L472-L504 HydrophobicContact CB-CD1 3.93Å; L472-L504 HydrophobicContact CB-CD2 4.22Å; L472-L504 HydrophobicContact CD1-CD2 4.2Å
473R98.7Very high98.7Very high82 Ų8262.7 Ų62.731%0.30930%0.303SS..Hα-helixtrans-65.2-41.3175.2-69.8-177.265-1491.4112.3L469 D470 K475 V476 A477 D501 L504L469-R473 WeakPolarHBondContact O-CG 3.48Å; L469-R473 PolarHBondContact O-N 3.4Å; D470-R473 CarbonylContact O-C 3.54Å; D470-R473 WeakPolarHBondContact O-CA 3.18Å; D470-R473 WeakPolarHBondContact O-CB 3.49Å; D470-R473 PolarHBondContact O-N 2.95Å; D470-R473 IonicContact OD1-NH1 2.64Å; R473-K475 VanDerWaalsContact C-N 3.29Å; R473-K475 PolarHBondContact O-N 3.04Å; R473-V476 CarbonylContact O-C 3.55Å; R473-V476 WeakPolarHBondContact O-CB 3.25Å; R473-V476 PolarHBondContact O-N 3.42Å; R473-V476 VanDerWaalsContact O-N 3.08Å; R473-A477 WeakPolarHBondContact O-CB 3.5Å; R473-A477 PolarHBondContact O-N 2.66Å; R473-D501 IonicContact CZ-OD1 3.59Å; R473-D501 IonicContact NE-OD1 3.45Å; R473-D501 PolarHBondContact NE-OD1 2.95Å; R473-D501 IonicContact NH2-OD1 3.59Å; R473-D501 PolarHBondContact NH2-OD1 2.82Å; R473-L504 HydrophobicContact CB-CD1 4.48Å; R473-L504 HydrophobicContact CG-CB 3.56Å; R473-L504 HydrophobicContact CG-CD1 3.67Å; R473-L504 HydrophobicContact CG-CG 4.25Å
474E98.8Very high98.7Very high140 Ų14064 Ų6465%0.65431%0.31SS*.Hα-helixtrans-57.8-43.4172.8-73.4177.8178.100111.4D470 V476 A477 E478D470-E474 WeakPolarHBondContact O-CG 3.14Å; D470-E474 PolarHBondContact O-N 3.19Å; E474-V476 VanDerWaalsContact C-N 3.3Å; E474-V476 PolarHBondContact O-N 3.5Å; E474-A477 PolarHBondContact O-N 2.81Å; E474-E478 WeakPolarHBondContact O-CB 3.49Å; E474-E478 PolarHBondContact O-N 3.01Å
475K98.7Very high98.6Very high122 Ų12268.8 Ų68.853%0.5334%0.335SS..Hα-helixtrans-60.3-39.2174.7-178.3-178.6176.464.40112G471 L472 R473 R479G471-K475 PolarHBondContact O-N 2.93Å; G471-K475 VanDerWaalsContact O-N 3.16Å; L472-K475 WeakPolarHBondContact O-CB 3.32Å; L472-K475 PolarHBondContact O-N 3.39Å; R473-K475 VanDerWaalsContact C-N 3.29Å; R473-K475 PolarHBondContact O-N 3.04Å; K475-R479 PolarHBondContact O-N 2.78Å
476V98.8Very high98.6Very high15 Ų1574.4 Ų74.49%0.09137%0.37CS..Hα-helixtrans-68.9-45.8175.9173.90000110.9L472 R473 E474 E478 R479 R480 L497 I500 D501 L504L472-V476 WeakPolarHBondContact O-CG2 3.44Å; L472-V476 PolarHBondContact O-N 3.24Å; R473-V476 CarbonylContact O-C 3.55Å; R473-V476 WeakPolarHBondContact O-CB 3.25Å; R473-V476 PolarHBondContact O-N 3.42Å; R473-V476 VanDerWaalsContact O-N 3.08Å; E474-V476 VanDerWaalsContact C-N 3.3Å; E474-V476 PolarHBondContact O-N 3.5Å; V476-E478 VanDerWaalsContact C-N 3.33Å; V476-E478 PolarHBondContact O-N 3.07Å; V476-R479 PolarHBondContact O-N 2.66Å; V476-R479 VanDerWaalsContact O-N 3.14Å; V476-R480 HydrophobicContact CG1-CG 4.36Å; V476-R480 WeakPolarHBondContact O-CG 3.44Å; V476-R480 PolarHBondContact O-N 2.95Å; V476-L497 HydrophobicContact CG1-CB 4.22Å; V476-L497 HydrophobicContact CG1-CD2 4.32Å; V476-L497 WeakPolarHBondContact CG1-O 3.12Å; V476-I500 HydrophobicContact CG2-CB 4.4Å; V476-I500 HydrophobicContact CG2-CG2 3.63Å; V476-D501 HydrophobicContact CG1-CB 4.18Å; V476-L504 HydrophobicContact CG2-CD1 4.15Å
477A98.7Very high98.6Very high60 Ų6071.2 Ų71.250%0.49636%0.359SS..Hα-helixtrans-60-43178.600000111.8R473 E474 R479 R480 S481R473-A477 WeakPolarHBondContact O-CB 3.5Å; R473-A477 PolarHBondContact O-N 2.66Å; E474-A477 PolarHBondContact O-N 2.81Å; A477-R479 PolarHBondContact O-N 3.02Å; A477-R480 PolarHBondContact O-N 3.21Å; A477-S481 PolarHBondContact O-N 2.98Å
478E98.7Very high98.6Very high89 Ų8972.9 Ų72.942%0.41637%0.372SS..Hα-helixtrans-59.3-45.3173.7-174.9-77.5145.800111.1E474 V476 R480 S481 R482E474-E478 WeakPolarHBondContact O-CB 3.49Å; E474-E478 PolarHBondContact O-N 3.01Å; V476-E478 VanDerWaalsContact C-N 3.33Å; V476-E478 PolarHBondContact O-N 3.07Å; E478-R480 PolarHBondContact O-N 2.94Å; E478-S481 WeakPolarHBondContact O-CB 3.43Å; E478-S481 PolarHBondContact O-N 3.31Å; E478-S481 PolarHBondContact O-OG 2.61Å; E478-R482 VanDerWaalsContact CD-NH2 3.34Å; E478-R482 IonicContact OE1-CZ 3.78Å; E478-R482 IonicContact OE1-NE 3.42Å; E478-R482 PolarHBondContact OE1-NE 3.28Å; E478-R482 IonicContact OE1-NH2 3.61Å; E478-R482 PolarHBondContact OE1-NH2 3.19Å; E478-R482 VanDerWaalsContact OE1-NH2 3.16Å; E478-R482 IonicContact OE2-CZ 3.59Å; E478-R482 IonicContact OE2-NE 2.73Å; E478-R482 IonicContact OE2-NH2 3.15Å; E478-R482 PolarHBondContact OE2-NH2 2.96Å
479R98.6Very high98.5Very high84 Ų8480.6 Ų80.632%0.31741%0.408SS..Hα-helixtrans-66.2-37.1177178.858.4-172.193.4-4.4112.6K475 V476 A477 S481 R482 I483 D490 L497K475-R479 PolarHBondContact O-N 2.78Å; V476-R479 PolarHBondContact O-N 2.66Å; V476-R479 VanDerWaalsContact O-N 3.14Å; A477-R479 PolarHBondContact O-N 3.02Å; R479-S481 VanDerWaalsContact C-N 3.32Å; R479-R482 PolarHBondContact O-N 3.16Å; R479-I483 VanDerWaalsContact NH1-CD1 3.28Å; R479-D490 IonicContact NH2-OD1 3.41Å; R479-D490 PolarHBondContact NH2-OD1 2.91Å; R479-L497 HydrophobicContact CB-CD1 4.42Å; R479-L497 HydrophobicContact CB-CD2 4.25Å; R479-L497 HydrophobicContact CG-CD1 3.7Å; R479-L497 HydrophobicContact CG-CD2 3.83Å; R479-L497 HydrophobicContact CG-CG 4.43Å
480R98.5Very high98.5Very high75 Ų7582 Ų8228%0.28342%0.415SS..Hα-helixtrans-65.2-34.4175.2-71.7-179.772-162.9-3.1111.9V476 A477 E478 R482 I483 E494 L497 D501V476-R480 HydrophobicContact CG1-CG 4.36Å; V476-R480 WeakPolarHBondContact O-CG 3.44Å; V476-R480 PolarHBondContact O-N 2.95Å; A477-R480 PolarHBondContact O-N 3.21Å; E478-R480 PolarHBondContact O-N 2.94Å; R480-R482 PolarHBondContact O-N 2.91Å; R480-R482 VanDerWaalsContact O-N 3.1Å; R480-I483 VanDerWaalsContact O-CB 3.31Å; R480-I483 WeakPolarHBondContact O-CB 3.36Å; R480-I483 PolarHBondContact O-N 3.04Å; R480-E494 WeakPolarHBondContact CG-OE2 3.37Å; R480-E494 IonicContact CZ-OE1 3.66Å; R480-E494 IonicContact NE-OE1 2.74Å; R480-E494 PolarHBondContact NE-OE1 3.07Å; R480-E494 IonicContact NE-OE2 2.7Å; R480-E494 PolarHBondContact NE-OE2 3.5Å; R480-E494 VanDerWaalsContact NE-OE2 3.15Å; R480-E494 IonicContact NH2-OE1 3.98Å; R480-E494 PolarHBondContact NH2-OE1 2.99Å; R480-L497 HydrophobicContact CG-CB 3.49Å; R480-L497 VanDerWaalsContact CG-CB 3.49Å; R480-L497 HydrophobicContact CG-CD1 3.73Å; R480-L497 HydrophobicContact CG-CG 4.17Å; R480-D501 IonicContact NH1-OD2 3.2Å
481S98.5Very high98.5Very high96 Ų9682.8 Ų82.867%0.67142%0.419SS*.Hα-helixtrans-61.9-19.3175.880.40000114A477 E478 R479A477-S481 PolarHBondContact O-N 2.98Å; E478-S481 WeakPolarHBondContact O-CB 3.43Å; E478-S481 PolarHBondContact O-N 3.31Å; E478-S481 PolarHBondContact O-OG 2.61Å; R479-S481 VanDerWaalsContact C-N 3.32Å
482R98.4Very high98.5Very high142 Ų14288.4 Ų88.454%0.53644%0.442SS..THydrogen-bonded Turntrans-97.83.4178.5-63.9-176.5-77.3152.8-6.5113.8E478 R479 R480E478-R482 VanDerWaalsContact CD-NH2 3.34Å; E478-R482 IonicContact OE1-CZ 3.78Å; E478-R482 IonicContact OE1-NE 3.42Å; E478-R482 PolarHBondContact OE1-NE 3.28Å; E478-R482 IonicContact OE1-NH2 3.61Å; E478-R482 PolarHBondContact OE1-NH2 3.19Å; E478-R482 VanDerWaalsContact OE1-NH2 3.16Å; E478-R482 IonicContact OE2-CZ 3.59Å; E478-R482 IonicContact OE2-NE 2.73Å; E478-R482 IonicContact OE2-NH2 3.15Å; E478-R482 PolarHBondContact OE2-NH2 2.96Å; R479-R482 PolarHBondContact O-N 3.16Å; R480-R482 PolarHBondContact O-N 2.91Å; R480-R482 VanDerWaalsContact O-N 3.1Å
483I98.3Very high98.4Very high28 Ų2888 Ų8814%0.14445%0.445CS..  trans-74.5132.1176.3-71.1-68.4000109.8R479 R480 L485 D490 E494 L497R479-I483 VanDerWaalsContact NH1-CD1 3.28Å; R480-I483 VanDerWaalsContact O-CB 3.31Å; R480-I483 WeakPolarHBondContact O-CB 3.36Å; R480-I483 PolarHBondContact O-N 3.04Å; I483-L485 HydrophobicContact CG2-CD2 3.77Å; I483-L485 HydrophobicContact CG2-CG 4.15Å; I483-D490 HydrophobicContact CD1-CB 3.98Å; I483-D490 HydrophobicContact CG2-CB 4.12Å; I483-E494 HydrophobicContact CG1-CB 4.42Å; I483-E494 HydrophobicContact CG2-CB 3.91Å; I483-E494 HydrophobicContact CG2-CG 4.48Å; I483-L497 HydrophobicContact CD1-CD1 3.93Å; I483-L497 HydrophobicContact CG1-CD1 4Å
484N98.5Very high98.4Very high79 Ų7985.3 Ų85.342%0.42244%0.437SS..  trans-110.3106.8165.5-179.5-3.8000110.1T486 V487 D490N484-T486 VanDerWaalsContact CG-OG1 3.29Å; N484-T486 PolarHBondContact ND2-OG1 3.17Å; N484-T486 PolarHBondContact O-N 2.64Å; N484-T486 PolarHBondContact OD1-N 3.02Å; N484-T486 VanDerWaalsContact OD1-N 3.09Å; N484-T486 PolarHBondContact OD1-OG1 2.71Å; N484-V487 HydrophobicContact CB-CG2 4.19Å; N484-V487 WeakPolarHBondContact O-CB 3.29Å; N484-V487 PolarHBondContact O-N 3.22Å; N484-D490 PolarHBondContact N-OD2 2.88Å; N484-D490 VanDerWaalsContact O-CB 3.26Å; N484-D490 WeakPolarHBondContact O-CB 3.2Å
485L98.2Very high98.4Very high110 Ų11081.1 Ų81.158%0.57642%0.417SS*.THydrogen-bonded Turntrans-64.8-7.8-176.8-66.9177.6000115.2I483 V487 L491 E494I483-L485 HydrophobicContact CG2-CD2 3.77Å; I483-L485 HydrophobicContact CG2-CG 4.15Å; L485-V487 VanDerWaalsContact C-N 3.31Å; L485-L491 HydrophobicContact CD2-CD1 4.12Å; L485-E494 HydrophobicContact CD2-CB 4.08Å; L485-E494 HydrophobicContact CD2-CG 4.11Å
486T98.4Very high98.4Very high124 Ų12481 Ų8176%0.76142%0.417SS*.THydrogen-bonded Turntrans-85-7.8171.365.30000113N484N484-T486 VanDerWaalsContact CG-OG1 3.29Å; N484-T486 PolarHBondContact ND2-OG1 3.17Å; N484-T486 PolarHBondContact O-N 2.64Å; N484-T486 PolarHBondContact OD1-N 3.02Å; N484-T486 VanDerWaalsContact OD1-N 3.09Å; N484-T486 PolarHBondContact OD1-OG1 2.71Å
487V98.6Very high98.4Very high63 Ų6381.2 Ų81.238%0.38242%0.417SS..SBendtrans-97122.1172.6177.60000108.4N484 L485 E489 D490 L491N484-V487 HydrophobicContact CB-CG2 4.19Å; N484-V487 WeakPolarHBondContact O-CB 3.29Å; N484-V487 PolarHBondContact O-N 3.22Å; L485-V487 VanDerWaalsContact C-N 3.31Å; V487-E489 VanDerWaalsContact C-N 3.3Å; V487-E489 HydrophobicContact CG1-CB 4.46Å; V487-E489 PolarHBondContact O-N 3.4Å; V487-D490 HydrophobicContact CB-CB 4.06Å; V487-D490 HydrophobicContact CG1-CB 4.38Å; V487-D490 WeakPolarHBondContact O-CB 3.46Å; V487-D490 PolarHBondContact O-N 2.67Å; V487-D490 VanDerWaalsContact O-N 3.07Å; V487-L491 PolarHBondContact O-N 3.23Å
488L97.8Very high98.4Very high123 Ų12382.3 Ų82.364%0.64441%0.411SS*.Hα-helixtrans-56.9-42.1-174178.962000112.8D490 L491 H492L488-D490 VanDerWaalsContact C-N 3.33Å; L488-D490 PolarHBondContact O-N 3.26Å; L488-L491 WeakPolarHBondContact O-CB 3.27Å; L488-L491 PolarHBondContact O-N 3.35Å; L488-H492 PolarHBondContact O-CD2 3.39Å; L488-H492 VanDerWaalsContact O-CD2 3.26Å; L488-H492 PolarHBondContact O-N 3.07Å
489E97.8Very high98.4Very high162 Ų16278.5 Ų78.576%0.75739%0.394SS*.Hα-helixtrans-63.6-40.3177.8-6818018000111.9V487 L491 H492 G493V487-E489 VanDerWaalsContact C-N 3.3Å; V487-E489 HydrophobicContact CG1-CB 4.46Å; V487-E489 PolarHBondContact O-N 3.4Å; E489-L491 VanDerWaalsContact C-N 3.32Å; E489-L491 PolarHBondContact O-N 3.15Å; E489-H492 PolarHBondContact O-N 2.88Å; E489-G493 PolarHBondContact O-N 2.81Å
490D98.4Very high98.4Very high29 Ų2977.2 Ų77.216%0.15539%0.393CS..Hα-helixtrans-69.7-29.8177.6-88-8.2000112R479 I483 N484 V487 L488 G493 E494R479-D490 IonicContact NH2-OD1 3.41Å; R479-D490 PolarHBondContact NH2-OD1 2.91Å; I483-D490 HydrophobicContact CD1-CB 3.98Å; I483-D490 HydrophobicContact CG2-CB 4.12Å; N484-D490 PolarHBondContact N-OD2 2.88Å; N484-D490 VanDerWaalsContact O-CB 3.26Å; N484-D490 WeakPolarHBondContact O-CB 3.2Å; V487-D490 HydrophobicContact CB-CB 4.06Å; V487-D490 HydrophobicContact CG1-CB 4.38Å; V487-D490 WeakPolarHBondContact O-CB 3.46Å; V487-D490 PolarHBondContact O-N 2.67Å; V487-D490 VanDerWaalsContact O-N 3.07Å; L488-D490 VanDerWaalsContact C-N 3.33Å; L488-D490 PolarHBondContact O-N 3.26Å; D490-G493 PolarHBondContact O-N 2.77Å; D490-E494 WeakPolarHBondContact O-CB 3.31Å; D490-E494 PolarHBondContact O-N 3.32Å
491L98.3Very high98.5Very high75 Ų7575.3 Ų75.339%0.39339%0.388SS..Hα-helixtrans-60.5-46.3171.4177.564000111.2L485 V487 L488 E489 Q495L485-L491 HydrophobicContact CD2-CD1 4.12Å; V487-L491 PolarHBondContact O-N 3.23Å; L488-L491 WeakPolarHBondContact O-CB 3.27Å; L488-L491 PolarHBondContact O-N 3.35Å; E489-L491 VanDerWaalsContact C-N 3.32Å; E489-L491 PolarHBondContact O-N 3.15Å; L491-Q495 PolarHBondContact O-N 3.03Å
492H98Very high98.5Very high127 Ų12772.5 Ų72.559%0.58837%0.366SS*.Hα-helixtrans-67.8-41.6174.6-67.5-65.5000111.7L488 E489 E494 Q495 F496L488-H492 PolarHBondContact O-CD2 3.39Å; L488-H492 VanDerWaalsContact O-CD2 3.26Å; L488-H492 PolarHBondContact O-N 3.07Å; E489-H492 PolarHBondContact O-N 2.88Å; H492-E494 VanDerWaalsContact C-N 3.31Å; H492-E494 PolarHBondContact O-N 3.19Å; H492-Q495 PolarHBondContact O-N 2.65Å; H492-F496 PolarHBondContact O-N 3.2Å; H492-F496 VanDerWaalsContact O-N 3.15Å
493G98.4Very high98.5Very high22 Ų2267.1 Ų67.123%0.22735%0.349CS..Hα-helixtrans-56.8-42.7176.800000112.6E489 D490 Q495 F496 L497E489-G493 PolarHBondContact O-N 2.81Å; D490-G493 PolarHBondContact O-N 2.77Å; G493-Q495 PolarHBondContact O-N 2.97Å; G493-F496 PolarHBondContact O-N 3.36Å; G493-L497 VanDerWaalsContact O-CG 3.25Å; G493-L497 WeakPolarHBondContact O-CG 3.25Å; G493-L497 PolarHBondContact O-N 3.45Å
494E98.5Very high98.5Very high27 Ų2766.8 Ų66.813%0.12635%0.347CS..Hα-helixtrans-62.3-41.8176.9174.854.6-163.900112.6R480 I483 L485 D490 H492 F496 L497 K498R480-E494 WeakPolarHBondContact CG-OE2 3.37Å; R480-E494 IonicContact CZ-OE1 3.66Å; R480-E494 IonicContact NE-OE1 2.74Å; R480-E494 PolarHBondContact NE-OE1 3.07Å; R480-E494 IonicContact NE-OE2 2.7Å; R480-E494 PolarHBondContact NE-OE2 3.5Å; R480-E494 VanDerWaalsContact NE-OE2 3.15Å; R480-E494 IonicContact NH2-OE1 3.98Å; R480-E494 PolarHBondContact NH2-OE1 2.99Å; I483-E494 HydrophobicContact CG1-CB 4.42Å; I483-E494 HydrophobicContact CG2-CB 3.91Å; I483-E494 HydrophobicContact CG2-CG 4.48Å; L485-E494 HydrophobicContact CD2-CB 4.08Å; L485-E494 HydrophobicContact CD2-CG 4.11Å; D490-E494 WeakPolarHBondContact O-CB 3.31Å; D490-E494 PolarHBondContact O-N 3.32Å; H492-E494 VanDerWaalsContact C-N 3.31Å; H492-E494 PolarHBondContact O-N 3.19Å; E494-F496 VanDerWaalsContact C-N 3.27Å; E494-F496 PolarHBondContact O-N 3.11Å; E494-L497 PolarHBondContact O-N 2.77Å; E494-K498 VanDerWaalsContact O-CB 3.25Å; E494-K498 WeakPolarHBondContact O-CB 3.38Å; E494-K498 PolarHBondContact O-N 2.65Å
495Q98.7Very high98.6Very high51 Ų5164.9 Ų64.924%0.23834%0.338CS..Hα-helixtrans-64.4-36.6177.3-60-54.1-58.300111.5P338 V341 L491 H492 G493 A499P338-Q495 HydrophobicContact CB-CB 4.48Å; P338-Q495 HydrophobicContact CG-CB 4.39Å; P338-Q495 HydrophobicContact CG-CG 4Å; V341-Q495 HydrophobicContact CG2-CB 4.17Å; V341-Q495 VanDerWaalsContact CG2-O 3.28Å; V341-Q495 WeakPolarHBondContact CG2-O 3.49Å; L491-Q495 PolarHBondContact O-N 3.03Å; H492-Q495 PolarHBondContact O-N 2.65Å; G493-Q495 PolarHBondContact O-N 2.97Å; Q495-A499 WeakPolarHBondContact O-CB 3.45Å; Q495-A499 PolarHBondContact O-N 2.97Å; Q495-A499 VanDerWaalsContact O-N 3.07Å
496F98.8Very high98.6Very high120 Ų12059.8 Ų59.853%0.52631%0.312SS..Hα-helixtrans-70.6-44.9176.4-169.6-107.9000112.1P340 H492 G493 E494 K498 A499 I500P340-F496 HydrophobicContact CB-CD2 4.06Å; P340-F496 HydrophobicContact CG-CD2 4.39Å; H492-F496 PolarHBondContact O-N 3.2Å; H492-F496 VanDerWaalsContact O-N 3.15Å; G493-F496 PolarHBondContact O-N 3.36Å; E494-F496 VanDerWaalsContact C-N 3.27Å; E494-F496 PolarHBondContact O-N 3.11Å; F496-K498 VanDerWaalsContact C-N 3.31Å; F496-K498 PolarHBondContact O-N 2.9Å; F496-A499 WeakPolarHBondContact O-CB 3.39Å; F496-A499 PolarHBondContact O-N 3.36Å; F496-A499 VanDerWaalsContact O-N 3.12Å; F496-I500 HydrophobicContact CD1-CD1 3.8Å; F496-I500 HydrophobicContact CD1-CG1 4.47Å; F496-I500 HydrophobicContact CE1-CD1 3.58Å; F496-I500 HydrophobicContact CE1-CG1 4.27Å; F496-I500 HydrophobicContact CZ-CD1 4.32Å; F496-I500 WeakPolarHBondContact O-CG1 3.3Å; F496-I500 PolarHBondContact O-N 3.33Å
497L98.8Very high98.6Very high20 Ų2054.2 Ų54.211%0.10528%0.278CS..Hα-helixtrans-63.5-38.1176.8-67.3165.1000112V476 R479 R480 I483 G493 E494 A499 I500 D501V476-L497 HydrophobicContact CG1-CB 4.22Å; V476-L497 HydrophobicContact CG1-CD2 4.32Å; V476-L497 WeakPolarHBondContact CG1-O 3.12Å; R479-L497 HydrophobicContact CB-CD1 4.42Å; R479-L497 HydrophobicContact CB-CD2 4.25Å; R479-L497 HydrophobicContact CG-CD1 3.7Å; R479-L497 HydrophobicContact CG-CD2 3.83Å; R479-L497 HydrophobicContact CG-CG 4.43Å; R480-L497 HydrophobicContact CG-CB 3.49Å; R480-L497 VanDerWaalsContact CG-CB 3.49Å; R480-L497 HydrophobicContact CG-CD1 3.73Å; R480-L497 HydrophobicContact CG-CG 4.17Å; I483-L497 HydrophobicContact CD1-CD1 3.93Å; I483-L497 HydrophobicContact CG1-CD1 4Å; G493-L497 VanDerWaalsContact O-CG 3.25Å; G493-L497 WeakPolarHBondContact O-CG 3.25Å; G493-L497 PolarHBondContact O-N 3.45Å; E494-L497 PolarHBondContact O-N 2.77Å; L497-A499 VanDerWaalsContact C-N 3.34Å; L497-I500 PolarHBondContact O-N 3.49Å; L497-D501 PolarHBondContact O-N 3.05Å
498K98.8Very high98.6Very high83 Ų8351.4 Ų51.436%0.36126%0.261SS..Hα-helixtrans-61.3-42.5171.7-179.8178.4178.6177.70111.8E494 F496 I500 D501 I502E494-K498 VanDerWaalsContact O-CB 3.25Å; E494-K498 WeakPolarHBondContact O-CB 3.38Å; E494-K498 PolarHBondContact O-N 2.65Å; F496-K498 VanDerWaalsContact C-N 3.31Å; F496-K498 PolarHBondContact O-N 2.9Å; K498-I500 VanDerWaalsContact C-N 3.33Å; K498-D501 PolarHBondContact O-N 2.95Å; K498-I502 HydrophobicContact CG-CD1 4.1Å; K498-I502 WeakPolarHBondContact O-CG1 3.46Å; K498-I502 PolarHBondContact O-N 2.88Å; K498-I502 VanDerWaalsContact O-N 3.07Å
499A98.9Very high98.7Very high8 Ų850.4 Ų50.47%0.06625%0.253CS..Hα-helixtrans-61.1-42.617600000111.4P340 V341 A344 Q495 F496 L497 I502 V503P340-A499 HydrophobicContact CB-CB 4.08Å; P340-A499 WeakPolarHBondContact O-CB 3.35Å; V341-A499 HydrophobicContact CG2-CB 4.38Å; A344-A499 HydrophobicContact CB-CB 3.81Å; A344-A499 WeakPolarHBondContact CB-O 3.46Å; Q495-A499 WeakPolarHBondContact O-CB 3.45Å; Q495-A499 PolarHBondContact O-N 2.97Å; Q495-A499 VanDerWaalsContact O-N 3.07Å; F496-A499 WeakPolarHBondContact O-CB 3.39Å; F496-A499 PolarHBondContact O-N 3.36Å; F496-A499 VanDerWaalsContact O-N 3.12Å; L497-A499 VanDerWaalsContact C-N 3.34Å; A499-I502 PolarHBondContact O-N 2.87Å; A499-V503 WeakPolarHBondContact O-CG2 3.48Å; A499-V503 PolarHBondContact O-N 2.57Å; A499-V503 VanDerWaalsContact O-N 3.1Å
500I98.9Very high98.7Very high57 Ų5742.7 Ų42.729%0.29222%0.217SC..Hα-helixtrans-60.4-48.5176-64.9167.4000111.2V476 F496 L497 K498 I502 V503 L504V476-I500 HydrophobicContact CG2-CB 4.4Å; V476-I500 HydrophobicContact CG2-CG2 3.63Å; F496-I500 HydrophobicContact CD1-CD1 3.8Å; F496-I500 HydrophobicContact CD1-CG1 4.47Å; F496-I500 HydrophobicContact CE1-CD1 3.58Å; F496-I500 HydrophobicContact CE1-CG1 4.27Å; F496-I500 HydrophobicContact CZ-CD1 4.32Å; F496-I500 WeakPolarHBondContact O-CG1 3.3Å; F496-I500 PolarHBondContact O-N 3.33Å; L497-I500 PolarHBondContact O-N 3.49Å; K498-I500 VanDerWaalsContact C-N 3.33Å; I500-I502 VanDerWaalsContact C-N 3.34Å; I500-I502 PolarHBondContact O-N 3.25Å; I500-V503 PolarHBondContact O-N 2.76Å; I500-V503 VanDerWaalsContact O-N 3.16Å; I500-L504 HydrophobicContact CG2-CD1 3.85Å; I500-L504 HydrophobicContact CG2-CG 4.2Å; I500-L504 WeakPolarHBondContact O-CG 3.37Å; I500-L504 PolarHBondContact O-N 3.02Å
501D98.9Very high98.8Very high35 Ų3541.3 Ų41.319%0.18721%0.21CC..Hα-helixtrans-61.6-41-179.4-17750.7000112R473 V476 R480 L497 K498 V503 L504 V505R473-D501 IonicContact CZ-OD1 3.59Å; R473-D501 IonicContact NE-OD1 3.45Å; R473-D501 PolarHBondContact NE-OD1 2.95Å; R473-D501 IonicContact NH2-OD1 3.59Å; R473-D501 PolarHBondContact NH2-OD1 2.82Å; V476-D501 HydrophobicContact CG1-CB 4.18Å; R480-D501 IonicContact NH1-OD2 3.2Å; L497-D501 PolarHBondContact O-N 3.05Å; K498-D501 PolarHBondContact O-N 2.95Å; D501-V503 VanDerWaalsContact C-N 3.33Å; D501-V503 PolarHBondContact O-N 2.97Å; D501-L504 PolarHBondContact O-N 2.85Å; D501-V505 WeakPolarHBondContact O-CG2 3.37Å; D501-V505 PolarHBondContact O-N 2.8Å
502I98.9Very high98.8Very high37 Ų3741.4 Ų41.419%0.1921%0.208CC..Hα-helixtrans-57.8-45.5173.7-70.1165.5000111.1V341 A344 L345 A348 K498 A499 I500 A506V341-I502 HydrophobicContact CG1-CD1 4.3Å; A344-I502 HydrophobicContact CB-CB 4.09Å; A344-I502 HydrophobicContact CB-CG2 3.94Å; L345-I502 HydrophobicContact CD2-CD1 4.22Å; L345-I502 HydrophobicContact CD2-CG2 4.4Å; A348-I502 HydrophobicContact CB-CG2 4.08Å; K498-I502 HydrophobicContact CG-CD1 4.1Å; K498-I502 WeakPolarHBondContact O-CG1 3.46Å; K498-I502 PolarHBondContact O-N 2.88Å; K498-I502 VanDerWaalsContact O-N 3.07Å; A499-I502 PolarHBondContact O-N 2.87Å; I500-I502 VanDerWaalsContact C-N 3.34Å; I500-I502 PolarHBondContact O-N 3.25Å; I502-A506 WeakPolarHBondContact O-CB 3.4Å; I502-A506 PolarHBondContact O-N 3.4Å
503V98.9Very high98.8Very high30 Ų3039 Ų3918%0.18219%0.194CC..Hα-helixtrans-67-43.3179.9171.60000111.2A344 L347 A499 I500 D501 V505 A506 V507A344-V503 HydrophobicContact CB-CG2 3.72Å; L347-V503 HydrophobicContact CD2-CG1 3.79Å; L347-V503 HydrophobicContact CD2-CG2 4.05Å; A499-V503 WeakPolarHBondContact O-CG2 3.48Å; A499-V503 PolarHBondContact O-N 2.57Å; A499-V503 VanDerWaalsContact O-N 3.1Å; I500-V503 PolarHBondContact O-N 2.76Å; I500-V503 VanDerWaalsContact O-N 3.16Å; D501-V503 VanDerWaalsContact C-N 3.33Å; D501-V503 PolarHBondContact O-N 2.97Å; V503-V505 VanDerWaalsContact C-N 3.32Å; V503-V505 PolarHBondContact O-N 3.26Å; V503-A506 PolarHBondContact O-N 2.97Å; V503-A506 VanDerWaalsContact O-N 3.17Å; V503-V507 HydrophobicContact CG1-CG2 4.2Å; V503-V507 VanDerWaalsContact O-CG2 3.27Å; V503-V507 WeakPolarHBondContact O-CG2 3.34Å; V503-V507 PolarHBondContact O-N 3.01Å
504L98.9Very high98.9Very high21 Ų2138 Ų3811%0.1118%0.183CC..Hα-helixtrans-61.1-41.7178.9-70.3173.3000111.7L469 L472 R473 V476 I500 D501 V507 S508L469-L504 HydrophobicContact CD2-CD2 3.99Å; L472-L504 HydrophobicContact CB-CD1 3.93Å; L472-L504 HydrophobicContact CB-CD2 4.22Å; L472-L504 HydrophobicContact CD1-CD2 4.2Å; R473-L504 HydrophobicContact CB-CD1 4.48Å; R473-L504 HydrophobicContact CG-CB 3.56Å; R473-L504 HydrophobicContact CG-CD1 3.67Å; R473-L504 HydrophobicContact CG-CG 4.25Å; V476-L504 HydrophobicContact CG2-CD1 4.15Å; I500-L504 HydrophobicContact CG2-CD1 3.85Å; I500-L504 HydrophobicContact CG2-CG 4.2Å; I500-L504 WeakPolarHBondContact O-CG 3.37Å; I500-L504 PolarHBondContact O-N 3.02Å; D501-L504 PolarHBondContact O-N 2.85Å; L504-V507 PolarHBondContact O-N 3.26Å; L504-S508 PolarHBondContact O-N 2.95Å; L504-S508 VanDerWaalsContact O-N 3.11Å; L504-S508 PolarHBondContact O-OG 3.48Å
505V98.9Very high98.9Very high38 Ų3836.8 Ų36.823%0.2318%0.177CC..Hα-helixtrans-60.1-49172.7171.90000110.9D501 V503 V507 S508 E509D501-V505 WeakPolarHBondContact O-CG2 3.37Å; D501-V505 PolarHBondContact O-N 2.8Å; V503-V505 VanDerWaalsContact C-N 3.32Å; V503-V505 PolarHBondContact O-N 3.26Å; V505-V507 VanDerWaalsContact C-N 3.26Å; V505-V507 PolarHBondContact O-N 2.92Å; V505-S508 WeakPolarHBondContact O-CB 3.24Å; V505-S508 PolarHBondContact O-N 3.3Å; V505-S508 VanDerWaalsContact O-N 3.16Å; V505-E509 HydrophobicContact CG1-CG 4.31Å; V505-E509 WeakPolarHBondContact O-CG 3.25Å; V505-E509 PolarHBondContact O-N 3.23Å
506A98.9Very high98.9Very high4 Ų437.1 Ų37.13%0.03319%0.189CC..Hα-helixtrans-62.7-32.8-179.700000113.1A348 L351 I502 V503 H510A348-A506 HydrophobicContact CB-CB 3.61Å; L351-A506 HydrophobicContact CD1-CB 4.33Å; I502-A506 WeakPolarHBondContact O-CB 3.4Å; I502-A506 PolarHBondContact O-N 3.4Å; V503-A506 PolarHBondContact O-N 2.97Å; V503-A506 VanDerWaalsContact O-N 3.17Å; A506-H510 VanDerWaalsContact O-CB 3.23Å; A506-H510 WeakPolarHBondContact O-CB 3.5Å; A506-H510 PolarHBondContact O-N 3.35Å
507V98.9Very high98.9Very high6 Ų632.9 Ų32.94%0.03617%0.172CC..Hα-helixtrans-65.9-47.9173.9172.70000110.4L469 V503 L504 V505 E509 H510 I511 I562 I565L469-V507 HydrophobicContact CD1-CG1 3.74Å; L469-V507 HydrophobicContact CD2-CB 4.44Å; L469-V507 HydrophobicContact CD2-CG1 3.92Å; V503-V507 HydrophobicContact CG1-CG2 4.2Å; V503-V507 VanDerWaalsContact O-CG2 3.27Å; V503-V507 WeakPolarHBondContact O-CG2 3.34Å; V503-V507 PolarHBondContact O-N 3.01Å; L504-V507 PolarHBondContact O-N 3.26Å; V505-V507 VanDerWaalsContact C-N 3.26Å; V505-V507 PolarHBondContact O-N 2.92Å; V507-E509 PolarHBondContact O-N 3.49Å; V507-H510 PolarHBondContact O-N 2.72Å; V507-I511 HydrophobicContact CG1-CD1 4.12Å; V507-I511 WeakPolarHBondContact O-CG1 3.29Å; V507-I511 PolarHBondContact O-N 3.04Å; V507-I562 HydrophobicContact CG1-CD1 3.94Å; V507-I565 HydrophobicContact CB-CD1 4.35Å; V507-I565 HydrophobicContact CG1-CD1 3.87Å; V507-I565 HydrophobicContact CG2-CD1 4.01Å; V507-I565 HydrophobicContact CG2-CG2 4.19Å
508S98.9Very high98.9Very high5 Ų531.9 Ų31.94%0.03517%0.167CC..Hα-helixtrans-56.3-51.3175.7-64.70000111.4L504 V505 H510 I511 E512 A545L504-S508 PolarHBondContact O-N 2.95Å; L504-S508 VanDerWaalsContact O-N 3.11Å; L504-S508 PolarHBondContact O-OG 3.48Å; V505-S508 WeakPolarHBondContact O-CB 3.24Å; V505-S508 PolarHBondContact O-N 3.3Å; V505-S508 VanDerWaalsContact O-N 3.16Å; S508-H510 VanDerWaalsContact C-N 3.28Å; S508-H510 PolarHBondContact O-N 3.38Å; S508-I511 PolarHBondContact O-N 2.96Å; S508-I511 VanDerWaalsContact O-N 3.16Å; S508-E512 WeakPolarHBondContact O-CG 3.3Å; S508-E512 PolarHBondContact O-N 3.49Å; S508-A545 WeakPolarHBondContact CB-O 3.24Å; S508-A545 PolarHBondContact OG-O 2.83Å
509E98.9Very high98.9Very high101 Ų10133.4 Ų33.447%0.47217%0.17SC..Hα-helixtrans-61-36178-69.2175.2170.400111.9V505 V507 E512 R513V505-E509 HydrophobicContact CG1-CG 4.31Å; V505-E509 WeakPolarHBondContact O-CG 3.25Å; V505-E509 PolarHBondContact O-N 3.23Å; V507-E509 PolarHBondContact O-N 3.49Å; E509-E512 PolarHBondContact O-N 3.31Å; E509-R513 WeakPolarHBondContact O-CG 3.27Å; E509-R513 PolarHBondContact O-N 3.28Å
510H98.9Very high98.9Very high1 Ų139.4 Ų39.41%0.00520%0.197CC..Hα-helixtrans-67-39.6176.6-16562.8000112.4L351 A506 V507 S508 E512 R513 F514L351-H510 HydrophobicContact CB-CB 4.14Å; L351-H510 HydrophobicContact CD1-CB 4.35Å; L351-H510 PolarHBondContact O-CE1 3.06Å; L351-H510 PolarHBondContact O-ND1 2.98Å; A506-H510 VanDerWaalsContact O-CB 3.23Å; A506-H510 WeakPolarHBondContact O-CB 3.5Å; A506-H510 PolarHBondContact O-N 3.35Å; V507-H510 PolarHBondContact O-N 2.72Å; S508-H510 VanDerWaalsContact C-N 3.28Å; S508-H510 PolarHBondContact O-N 3.38Å; H510-E512 VanDerWaalsContact C-N 3.33Å; H510-R513 WeakPolarHBondContact O-CB 3.45Å; H510-R513 PolarHBondContact O-N 2.87Å; H510-F514 AromaticContact CD2-CE2 3.98Å; H510-F514 AromaticContact CE1-CE2 3.96Å; H510-F514 AromaticContact NE2-CE2 3.51Å; H510-F514 WeakPolarHBondContact O-CD2 3.41Å; H510-F514 PolarHBondContact O-N 2.86Å
511I98.9Very high98.9Very high0 Ų039.3 Ų39.30%020%0.196CC..Hα-helixtrans-64.3-41.7174.4-65.6171.6000110.1L469 V507 S508 R513 F514 A515 C541 I544 A545 L558 F561L469-I511 HydrophobicContact CD1-CD1 3.71Å; V507-I511 HydrophobicContact CG1-CD1 4.12Å; V507-I511 WeakPolarHBondContact O-CG1 3.29Å; V507-I511 PolarHBondContact O-N 3.04Å; S508-I511 PolarHBondContact O-N 2.96Å; S508-I511 VanDerWaalsContact O-N 3.16Å; I511-R513 VanDerWaalsContact C-N 3.31Å; I511-R513 PolarHBondContact O-N 2.9Å; I511-F514 WeakPolarHBondContact O-CB 3.23Å; I511-F514 PolarHBondContact O-N 3.31Å; I511-F514 VanDerWaalsContact O-N 3.12Å; I511-A515 PolarHBondContact O-N 2.93Å; I511-C541 HydrophobicContact CG2-CB 3.77Å; I511-C541 VanDerWaalsContact CG2-O 3.22Å; I511-C541 WeakPolarHBondContact CG2-O 3.44Å; I511-I544 HydrophobicContact CG2-CG1 4.02Å; I511-A545 HydrophobicContact CB-CB 4.05Å; I511-A545 HydrophobicContact CG2-CB 3.84Å; I511-L558 HydrophobicContact CD1-CD1 4.2Å; I511-F561 HydrophobicContact CB-CE2 4.36Å; I511-F561 HydrophobicContact CD1-CB 4.36Å; I511-F561 HydrophobicContact CD1-CD2 3.97Å; I511-F561 HydrophobicContact CD1-CG 4.25Å; I511-F561 HydrophobicContact CG1-CB 4.44Å; I511-F561 HydrophobicContact CG1-CD1 4.27Å; I511-F561 HydrophobicContact CG1-CD2 3.71Å; I511-F561 HydrophobicContact CG1-CE1 4.46Å; I511-F561 HydrophobicContact CG1-CE2 3.9Å; I511-F561 HydrophobicContact CG1-CG 3.91Å; I511-F561 HydrophobicContact CG1-CZ 4.28Å; I511-F561 HydrophobicContact CG2-CD2 4.34Å; I511-F561 HydrophobicContact CG2-CE2 3.88Å; I511-F561 HydrophobicContact CG2-CZ 4.43Å
512E98.9Very high98.8Very high77 Ų7737.9 Ų37.936%0.3619%0.189SC..Hα-helixtrans-62.8-34.9174.8-68.4178.8156.900112.7S508 E509 H510 F514 A515 A516 A545 H546S508-E512 WeakPolarHBondContact O-CG 3.3Å; S508-E512 PolarHBondContact O-N 3.49Å; E509-E512 PolarHBondContact O-N 3.31Å; H510-E512 VanDerWaalsContact C-N 3.33Å; E512-F514 VanDerWaalsContact C-N 3.3Å; E512-F514 PolarHBondContact O-N 3.04Å; E512-A515 WeakPolarHBondContact O-CB 3.38Å; E512-A515 PolarHBondContact O-N 3.4Å; E512-A515 VanDerWaalsContact O-N 3.17Å; E512-A516 PolarHBondContact O-N 3.31Å; E512-A545 HydrophobicContact CG-CB 3.86Å; E512-H546 IonicContact OE1-CD2 3.16Å; E512-H546 IonicContact OE1-CE1 3.15Å; E512-H546 PolarHBondContact OE1-CE1 3.14Å; E512-H546 IonicContact OE1-NE2 2.99Å; E512-H546 PolarHBondContact OE1-NE2 3.43Å
513R98.9Very high98.8Very high77 Ų7740.3 Ų40.329%0.29122%0.215SC..Hα-helixtrans-60-40.5172.3-72.3-177.274.1-149.80.6111.7L351 A352 R354 I356 E509 H510 I511 A516 L517L351-R513 PolarHBondContact O-NH1 3.41Å; A352-R513 VanDerWaalsContact C-NH1 3.33Å; A352-R513 PolarHBondContact O-NE 2.9Å; A352-R513 PolarHBondContact O-NH1 3.15Å; R354-R513 PolarHBondContact O-NH1 3.44Å; R354-R513 PolarHBondContact O-NH2 3.13Å; R354-R513 VanDerWaalsContact O-NH2 3.1Å; I356-R513 HydrophobicContact CD1-CB 3.73Å; E509-R513 WeakPolarHBondContact O-CG 3.27Å; E509-R513 PolarHBondContact O-N 3.28Å; H510-R513 WeakPolarHBondContact O-CB 3.45Å; H510-R513 PolarHBondContact O-N 2.87Å; I511-R513 VanDerWaalsContact C-N 3.31Å; I511-R513 PolarHBondContact O-N 2.9Å; R513-A516 PolarHBondContact O-N 3.38Å; R513-L517 WeakPolarHBondContact O-CB 3.36Å; R513-L517 PolarHBondContact O-N 3.06Å
514F98.9Very high98.6Very high0 Ų044.3 Ų44.30%024%0.239CC..Hα-helixtrans-67.8-37.2174.1-85.5-78.6000112.5I356 I358 I365 G366 N367 H510 I511 E512 L517 A518 F561I356-F514 HydrophobicContact CB-CE1 3.96Å; I356-F514 HydrophobicContact CB-CE2 4.13Å; I356-F514 HydrophobicContact CB-CZ 3.61Å; I356-F514 HydrophobicContact CD1-CD1 4.42Å; I356-F514 HydrophobicContact CD1-CD2 4.36Å; I356-F514 HydrophobicContact CD1-CE1 4.47Å; I356-F514 HydrophobicContact CD1-CE2 4.41Å; I356-F514 HydrophobicContact CD1-CG 4.35Å; I356-F514 HydrophobicContact CD1-CZ 4.44Å; I356-F514 HydrophobicContact CG2-CE1 4.44Å; I356-F514 HydrophobicContact CG2-CE2 3.74Å; I356-F514 HydrophobicContact CG2-CZ 3.6Å; I358-F514 HydrophobicContact CG1-CD1 4.26Å; I365-F514 HydrophobicContact CB-CD1 4.34Å; I365-F514 HydrophobicContact CD1-CB 3.83Å; I365-F514 HydrophobicContact CD1-CD1 4.04Å; I365-F514 HydrophobicContact CD1-CG 4.27Å; I365-F514 HydrophobicContact CG1-CD1 4.31Å; G366-F514 VanDerWaalsContact CA-CZ 3.47Å; N367-F514 VanDerWaalsContact OD1-CZ 3.29Å; N367-F514 WeakPolarHBondContact OD1-CZ 3.5Å; H510-F514 AromaticContact CD2-CE2 3.98Å; H510-F514 AromaticContact CE1-CE2 3.96Å; H510-F514 AromaticContact NE2-CE2 3.51Å; H510-F514 WeakPolarHBondContact O-CD2 3.41Å; H510-F514 PolarHBondContact O-N 2.86Å; I511-F514 WeakPolarHBondContact O-CB 3.23Å; I511-F514 PolarHBondContact O-N 3.31Å; I511-F514 VanDerWaalsContact O-N 3.12Å; E512-F514 VanDerWaalsContact C-N 3.3Å; E512-F514 PolarHBondContact O-N 3.04Å; F514-L517 PolarHBondContact O-N 3.49Å; F514-A518 WeakPolarHBondContact O-CB 3.33Å; F514-A518 PolarHBondContact O-N 2.9Å; F514-F561 HydrophobicContact CB-CZ 4.04Å; F514-F561 AromaticContact CD2-CE1 3.64Å; F514-F561 HydrophobicContact CD2-CE1 3.64Å; F514-F561 AromaticContact CD2-CZ 3.99Å; F514-F561 HydrophobicContact CD2-CZ 3.99Å; F514-F561 HydrophobicContact CE2-CE1 4.03Å; F514-F561 HydrophobicContact CG-CE1 4.12Å; F514-F561 HydrophobicContact CG-CZ 4.07Å
515A98.9Very high98.3Very high1 Ų145.1 Ų45.11%0.00824%0.243CC..Hα-helixtrans-60.5-46.8173.800000111.4I511 E512 A518 R519 C541 D542I511-A515 PolarHBondContact O-N 2.93Å; E512-A515 WeakPolarHBondContact O-CB 3.38Å; E512-A515 PolarHBondContact O-N 3.4Å; E512-A515 VanDerWaalsContact O-N 3.17Å; A515-A518 PolarHBondContact O-N 2.98Å; A515-R519 WeakPolarHBondContact O-CG 3.49Å; A515-R519 PolarHBondContact O-N 2.92Å; A515-R519 VanDerWaalsContact O-N 3.09Å; A515-C541 HydrophobicContact CB-CB 3.64Å; A515-D542 WeakPolarHBondContact CB-OD1 3.38Å
516A98.9Very high97.7Very high59 Ų5949.6 Ų49.649%0.48827%0.27SS..Hα-helixtrans-60.7-45.617700000111.9E512 R513 A518 R519 E520E512-A516 PolarHBondContact O-N 3.31Å; R513-A516 PolarHBondContact O-N 3.38Å; A516-A518 PolarHBondContact O-N 3.27Å; A516-R519 PolarHBondContact O-N 3.35Å; A516-E520 PolarHBondContact O-N 3.09Å
517L98.9Very high97Very high30 Ų3052.3 Ų52.316%0.15728%0.28CS..Hα-helixtrans-61.8-43.1176.817763000112.1I356 I358 R513 F514 R519 E520 M521I356-L517 HydrophobicContact CD1-CB 4.35Å; I356-L517 HydrophobicContact CD1-CD2 4.1Å; I356-L517 HydrophobicContact CG1-CD2 4.08Å; I358-L517 HydrophobicContact CD1-CD2 4.3Å; I358-L517 HydrophobicContact CD1-CG 4.28Å; I358-L517 HydrophobicContact CG1-CD2 4.06Å; R513-L517 WeakPolarHBondContact O-CB 3.36Å; R513-L517 PolarHBondContact O-N 3.06Å; F514-L517 PolarHBondContact O-N 3.49Å; L517-R519 VanDerWaalsContact C-N 3.32Å; L517-R519 PolarHBondContact O-N 3.06Å; L517-E520 WeakPolarHBondContact O-CB 3.41Å; L517-E520 PolarHBondContact O-N 2.97Å; L517-M521 HydrophobicContact CD1-CG 4.24Å; L517-M521 HydrophobicContact CD1-SD 4.16Å; L517-M521 HydrophobicContact CG-SD 4.05Å; L517-M521 WeakPolarHBondContact O-CG 3.24Å; L517-M521 PolarHBondContact O-N 3.14Å
518A98.8Very high96.3Very high0 Ų058.1 Ų58.10%031%0.306CS..Hα-helixtrans-61.8-40.117800000111.6I358 F514 A515 A516 M521 A522 A538I358-A518 HydrophobicContact CD1-CB 3.8Å; F514-A518 WeakPolarHBondContact O-CB 3.33Å; F514-A518 PolarHBondContact O-N 2.9Å; A515-A518 PolarHBondContact O-N 2.98Å; A516-A518 PolarHBondContact O-N 3.27Å; A518-M521 PolarHBondContact O-N 3.44Å; A518-A522 WeakPolarHBondContact O-CB 3.26Å; A518-A522 PolarHBondContact O-N 3.26Å; A518-A538 HydrophobicContact CB-CB 4.06Å
519R98.8Very high95.6Very high115 Ų11562 Ų6243%0.43433%0.333SS..Hα-helixtrans-65.7-40.8173.6-65.3-176.1-147.5-107.912.9112.9A515 A516 L517 A522 A523 A538 D542A515-R519 WeakPolarHBondContact O-CG 3.49Å; A515-R519 PolarHBondContact O-N 2.92Å; A515-R519 VanDerWaalsContact O-N 3.09Å; A516-R519 PolarHBondContact O-N 3.35Å; L517-R519 VanDerWaalsContact C-N 3.32Å; L517-R519 PolarHBondContact O-N 3.06Å; R519-A522 PolarHBondContact O-N 3.41Å; R519-A523 PolarHBondContact O-N 3.48Å; R519-A538 HydrophobicContact CG-CB 3.56Å; R519-D542 IonicContact CZ-OD1 2.85Å; R519-D542 IonicContact CZ-OD2 3.94Å; R519-D542 IonicContact NH1-OD2 2.68Å; R519-D542 IonicContact NH2-OD1 3.74Å; R519-D542 PolarHBondContact NH2-OD1 3.25Å; R519-D542 IonicContact NH2-OD2 3.83Å; R519-D542 PolarHBondContact NH2-OD2 2.92Å
520E98.7Very high95.3Very high134 Ų13457.4 Ų57.463%0.62631%0.312SS*.Hα-helixtrans-59.5-49176.3-177.7-177.8172.800110.5A516 L517 A522 A523A516-E520 PolarHBondContact O-N 3.09Å; L517-E520 WeakPolarHBondContact O-CB 3.41Å; L517-E520 PolarHBondContact O-N 2.97Å; E520-A522 PolarHBondContact O-N 3.14Å; E520-A523 WeakPolarHBondContact O-CB 3.47Å; E520-A523 PolarHBondContact O-N 2.62Å
521M98.4Very high95.1Very high54 Ų5461.5 Ų61.527%0.26633%0.327SS..Hα-helixtrans-62.2-42.7176.9-69.8175.361.700111.7I358 L517 A518 A523 T524 E525 L534I358-M521 HydrophobicContact CB-CE 3.87Å; I358-M521 HydrophobicContact CB-SD 3.69Å; I358-M521 HydrophobicContact CD1-SD 4.12Å; I358-M521 HydrophobicContact CG1-SD 4.27Å; I358-M521 HydrophobicContact CG2-CE 4.1Å; I358-M521 HydrophobicContact CG2-SD 4.44Å; L517-M521 HydrophobicContact CD1-CG 4.24Å; L517-M521 HydrophobicContact CD1-SD 4.16Å; L517-M521 HydrophobicContact CG-SD 4.05Å; L517-M521 WeakPolarHBondContact O-CG 3.24Å; L517-M521 PolarHBondContact O-N 3.14Å; A518-M521 PolarHBondContact O-N 3.44Å; M521-A523 PolarHBondContact O-N 3.3Å; M521-T524 PolarHBondContact O-N 3.07Å; M521-T524 VanDerWaalsContact O-N 3.08Å; M521-T524 PolarHBondContact O-OG1 2.93Å; M521-T524 VanDerWaalsContact O-OG1 3.06Å; M521-E525 WeakPolarHBondContact O-CB 3.18Å; M521-E525 PolarHBondContact O-N 3.37Å; M521-L534 HydrophobicContact CB-CD1 4Å; M521-L534 HydrophobicContact CB-CD2 4.14Å; M521-L534 HydrophobicContact CE-CD2 4.22Å
522A98.2Very high94.9Very high5 Ų565.3 Ų65.34%0.04135%0.347CS..Hα-helixtrans-58.8-35.1177.200000112.6A518 R519 E520 T524 E525 R531 L534 L535A518-A522 WeakPolarHBondContact O-CB 3.26Å; A518-A522 PolarHBondContact O-N 3.26Å; R519-A522 PolarHBondContact O-N 3.41Å; E520-A522 PolarHBondContact O-N 3.14Å; A522-T524 PolarHBondContact O-N 3.19Å; A522-E525 PolarHBondContact O-N 3.08Å; A522-R531 HydrophobicContact CB-CG 4.21Å; A522-R531 WeakPolarHBondContact O-CG 3.43Å; A522-L534 HydrophobicContact CB-CB 3.77Å; A522-L534 HydrophobicContact CB-CD1 4.43Å; A522-L535 HydrophobicContact CB-CD2 3.81Å; A522-L535 HydrophobicContact CB-CG 3.94Å
523A98.2Very high94.8Very high89 Ų8963.5 Ų63.574%0.73634%0.339SS*.Hα-helixtrans-66.2-25.6178.600000113.3R519 E520 M521R519-A523 PolarHBondContact O-N 3.48Å; E520-A523 WeakPolarHBondContact O-CB 3.47Å; E520-A523 PolarHBondContact O-N 2.62Å; M521-A523 PolarHBondContact O-N 3.3Å
524T95.3Very high94.8Very high113 Ų11359.9 Ų59.969%0.69333%0.325SS*.Hα-helixtrans-104.3-11.5179.662.10000114.1M521 A522 T526M521-T524 PolarHBondContact O-N 3.07Å; M521-T524 VanDerWaalsContact O-N 3.08Å; M521-T524 PolarHBondContact O-OG1 2.93Å; M521-T524 VanDerWaalsContact O-OG1 3.06Å; A522-T524 PolarHBondContact O-N 3.19Å; T524-T526 PolarHBondContact O-N 2.89Å
525E91.7Very high94.7Very high39 Ų3963.1 Ų63.118%0.18234%0.342CS..  trans-72.3128.3-178179.257.5-99.900110.9M521 A522 R527 R530 R531 L534M521-E525 WeakPolarHBondContact O-CB 3.18Å; M521-E525 PolarHBondContact O-N 3.37Å; A522-E525 PolarHBondContact O-N 3.08Å; E525-R527 HydrophobicContact CG-CB 4.44Å; E525-R527 WeakPolarHBondContact OE1-CB 3.35Å; E525-R527 WeakPolarHBondContact OE1-CG 3.15Å; E525-R527 IonicContact OE1-CZ 3.89Å; E525-R527 PolarHBondContact OE1-N 3.23Å; E525-R527 IonicContact OE1-NE 3.05Å; E525-R527 PolarHBondContact OE1-NE 2.93Å; E525-R527 IonicContact OE1-NH2 2.69Å; E525-R527 IonicContact OE2-CZ 3.79Å; E525-R527 IonicContact OE2-NE 2.65Å; E525-R527 PolarHBondContact OE2-NE 3.35Å; E525-R527 IonicContact OE2-NH2 3.62Å; E525-R527 PolarHBondContact OE2-NH2 2.77Å; E525-R530 HydrophobicContact CG-CB 3.87Å; E525-R530 HydrophobicContact CG-CG 3.93Å; E525-R530 WeakPolarHBondContact OE2-CG 3.48Å; E525-R531 HydrophobicContact CB-CB 4.23Å; E525-R531 HydrophobicContact CG-CB 4.1Å; E525-L534 HydrophobicContact CB-CD1 4.03Å; E525-L534 HydrophobicContact CG-CD1 4.19Å
526T86.9Confident94.7Very high132 Ų13264.4 Ų64.481%0.8135%0.353SS*.  trans-92.7-21.9-176.159.50000112.4T524 E528T524-T526 PolarHBondContact O-N 2.89Å; T526-E528 PolarHBondContact O-N 2.69Å
527R83.3Confident94.7Very high61 Ų6161.7 Ų61.723%0.2333%0.33CS..  trans-82.7114.2177.2-61170.3-65.3159.6-2109.1D361 E525 S529 R530 R531D361-R527 IonicContact OD1-CZ 3.51Å; D361-R527 IonicContact OD1-NH1 3.95Å; D361-R527 PolarHBondContact OD1-NH1 3.5Å; D361-R527 IonicContact OD1-NH2 3.51Å; D361-R527 PolarHBondContact OD1-NH2 3.04Å; D361-R527 IonicContact OD2-CZ 3.73Å; D361-R527 IonicContact OD2-NH1 3.49Å; D361-R527 PolarHBondContact OD2-NH1 3.01Å; D361-R527 IonicContact OD2-NH2 2.95Å; E525-R527 HydrophobicContact CG-CB 4.44Å; E525-R527 WeakPolarHBondContact OE1-CB 3.35Å; E525-R527 WeakPolarHBondContact OE1-CG 3.15Å; E525-R527 IonicContact OE1-CZ 3.89Å; E525-R527 PolarHBondContact OE1-N 3.23Å; E525-R527 IonicContact OE1-NE 3.05Å; E525-R527 PolarHBondContact OE1-NE 2.93Å; E525-R527 IonicContact OE1-NH2 2.69Å; E525-R527 IonicContact OE2-CZ 3.79Å; E525-R527 IonicContact OE2-NE 2.65Å; E525-R527 PolarHBondContact OE2-NE 3.35Å; E525-R527 IonicContact OE2-NH2 3.62Å; E525-R527 PolarHBondContact OE2-NH2 2.77Å; R527-S529 VanDerWaalsContact C-N 3.34Å; R527-S529 PolarHBondContact O-N 3.03Å; R527-R530 HydrophobicContact CB-CB 4.09Å; R527-R530 PolarHBondContact O-N 2.71Å; R527-R531 WeakPolarHBondContact O-CB 3.31Å; R527-R531 PolarHBondContact O-N 2.76Å
528E85.8Confident94.7Very high128 Ų12860.3 Ų60.360%0.59832%0.323SS*.Hα-helixtrans-54.8-46.1-178.1176.6154.9-125.800112.9T526 R530 R531 D532T526-E528 PolarHBondContact O-N 2.69Å; E528-R530 PolarHBondContact O-N 3.34Å; E528-R531 PolarHBondContact O-N 3.48Å; E528-R531 IonicContact OE1-NH2 2.86Å; E528-R531 PolarHBondContact OE1-NH2 2.98Å; E528-R531 VanDerWaalsContact OE1-NH2 3.11Å; E528-D532 VanDerWaalsContact O-CG 3.23Å; E528-D532 PolarHBondContact O-N 2.6Å
529S83.9Confident94.7Very high85 Ų8566.1 Ų66.159%0.59435%0.35SS*.Hα-helixtrans-58.8-47.3177.154.40000112.8R527 D532 E533R527-S529 VanDerWaalsContact C-N 3.34Å; R527-S529 PolarHBondContact O-N 3.03Å; S529-D532 PolarHBondContact O-N 2.84Å; S529-E533 WeakPolarHBondContact O-CG 3.31Å; S529-E533 PolarHBondContact O-N 2.83Å
530R91.2Very high94.7Very high6 Ų661.4 Ų61.42%0.02333%0.334CS..Hα-helixtrans-69.4-36.9-179.8-177.858179169.40.7112D361 E362 E525 R527 E528 D532 E533 L534D361-R530 VanDerWaalsContact C-CZ 3.49Å; D361-R530 VanDerWaalsContact CA-CZ 3.46Å; D361-R530 PolarHBondContact O-NH1 3.14Å; D361-R530 VanDerWaalsContact O-NH1 3.15Å; D361-R530 IonicContact OD1-NE 2.63Å; D361-R530 PolarHBondContact OD1-NE 2.78Å; E362-R530 PolarHBondContact O-NH1 2.79Å; E362-R530 PolarHBondContact O-NH2 2.81Å; E525-R530 HydrophobicContact CG-CB 3.87Å; E525-R530 HydrophobicContact CG-CG 3.93Å; E525-R530 WeakPolarHBondContact OE2-CG 3.48Å; R527-R530 HydrophobicContact CB-CB 4.09Å; R527-R530 PolarHBondContact O-N 2.71Å; E528-R530 PolarHBondContact O-N 3.34Å; R530-D532 VanDerWaalsContact C-N 3.3Å; R530-D532 PolarHBondContact O-N 2.9Å; R530-E533 VanDerWaalsContact CD-OE2 3.26Å; R530-E533 WeakPolarHBondContact CD-OE2 3.27Å; R530-E533 IonicContact CZ-OE2 2.98Å; R530-E533 IonicContact NE-OE2 3.18Å; R530-E533 IonicContact NH1-OE2 3.75Å; R530-E533 PolarHBondContact NH1-OE2 3.16Å; R530-E533 WeakPolarHBondContact O-CB 3.47Å; R530-E533 PolarHBondContact O-N 3.16Å; R530-L534 HydrophobicContact CG-CD1 4.06Å; R530-L534 HydrophobicContact CG-CG 4.42Å; R530-L534 VanDerWaalsContact O-CG 3.3Å; R530-L534 WeakPolarHBondContact O-CG 3.45Å; R530-L534 PolarHBondContact O-N 3.07Å
531R95.4Very high94.7Very high87 Ų8755 Ų5533%0.32830%0.304SS..Hα-helixtrans-58.3-46.2174.4-179.5-173.268.6-158-4110.6A522 E525 R527 E528 L534 L535A522-R531 HydrophobicContact CB-CG 4.21Å; A522-R531 WeakPolarHBondContact O-CG 3.43Å; E525-R531 HydrophobicContact CB-CB 4.23Å; E525-R531 HydrophobicContact CG-CB 4.1Å; R527-R531 WeakPolarHBondContact O-CB 3.31Å; R527-R531 PolarHBondContact O-N 2.76Å; E528-R531 PolarHBondContact O-N 3.48Å; E528-R531 IonicContact OE1-NH2 2.86Å; E528-R531 PolarHBondContact OE1-NH2 2.98Å; E528-R531 VanDerWaalsContact OE1-NH2 3.11Å; R531-L534 PolarHBondContact O-N 2.94Å; R531-L535 HydrophobicContact CG-CD1 4.34Å; R531-L535 WeakPolarHBondContact O-CG 3.47Å; R531-L535 PolarHBondContact O-N 3.05Å
532D95Very high94.8Very high79 Ų7955.2 Ų55.242%0.42231%0.306SS..Hα-helixtrans-67.2-37.2-179.4-63.8-9000111.4E528 S529 R530 L535 A536E528-D532 VanDerWaalsContact O-CG 3.23Å; E528-D532 PolarHBondContact O-N 2.6Å; S529-D532 PolarHBondContact O-N 2.84Å; R530-D532 VanDerWaalsContact C-N 3.3Å; R530-D532 PolarHBondContact O-N 2.9Å; D532-L535 PolarHBondContact O-N 2.89Å; D532-A536 WeakPolarHBondContact O-CB 3.47Å; D532-A536 PolarHBondContact O-N 2.94Å
533E96.1Very high94.8Very high39 Ų3956.6 Ų56.618%0.18231%0.312CS..Hα-helixtrans-60.5-44170.4-70.8173.2-177.100112.6R303 L363 S529 R530 L535 A536 M537R303-E533 IonicContact CZ-OE1 3.34Å; R303-E533 IonicContact CZ-OE2 3.15Å; R303-E533 VanDerWaalsContact NH1-CD 3.31Å; R303-E533 IonicContact NH1-OE1 3.69Å; R303-E533 PolarHBondContact NH1-OE1 3.15Å; R303-E533 IonicContact NH1-OE2 2.86Å; R303-E533 PolarHBondContact NH1-OE2 3.29Å; R303-E533 IonicContact NH2-OE1 3.17Å; R303-E533 PolarHBondContact NH2-OE1 2.86Å; R303-E533 IonicContact NH2-OE2 3.6Å; L363-E533 HydrophobicContact CD2-CG 4.19Å; S529-E533 WeakPolarHBondContact O-CG 3.31Å; S529-E533 PolarHBondContact O-N 2.83Å; R530-E533 VanDerWaalsContact CD-OE2 3.26Å; R530-E533 WeakPolarHBondContact CD-OE2 3.27Å; R530-E533 IonicContact CZ-OE2 2.98Å; R530-E533 IonicContact NE-OE2 3.18Å; R530-E533 IonicContact NH1-OE2 3.75Å; R530-E533 PolarHBondContact NH1-OE2 3.16Å; R530-E533 WeakPolarHBondContact O-CB 3.47Å; R530-E533 PolarHBondContact O-N 3.16Å; E533-L535 VanDerWaalsContact C-N 3.35Å; E533-A536 PolarHBondContact O-N 3.18Å; E533-M537 HydrophobicContact CB-CE 4.26Å; E533-M537 WeakPolarHBondContact O-CB 3.17Å; E533-M537 WeakPolarHBondContact O-CE 3.39Å; E533-M537 WeakPolarHBondContact O-CG 3.31Å; E533-M537 PolarHBondContact O-N 2.94Å
534L98.6Very high94.8Very high1 Ų152.3 Ų52.31%0.00528%0.277CS..Hα-helixtrans-63-41177.8-72.1162.4000111.9I358 M521 A522 E525 R530 R531 M537 A538I358-L534 HydrophobicContact CG2-CD2 4.37Å; M521-L534 HydrophobicContact CB-CD1 4Å; M521-L534 HydrophobicContact CB-CD2 4.14Å; M521-L534 HydrophobicContact CE-CD2 4.22Å; A522-L534 HydrophobicContact CB-CB 3.77Å; A522-L534 HydrophobicContact CB-CD1 4.43Å; E525-L534 HydrophobicContact CB-CD1 4.03Å; E525-L534 HydrophobicContact CG-CD1 4.19Å; R530-L534 HydrophobicContact CG-CD1 4.06Å; R530-L534 HydrophobicContact CG-CG 4.42Å; R530-L534 VanDerWaalsContact O-CG 3.3Å; R530-L534 WeakPolarHBondContact O-CG 3.45Å; R530-L534 PolarHBondContact O-N 3.07Å; R531-L534 PolarHBondContact O-N 2.94Å; L534-M537 HydrophobicContact CD2-CE 3.82Å; L534-M537 HydrophobicContact CG-CE 4.18Å; L534-M537 PolarHBondContact O-N 3.46Å; L534-A538 PolarHBondContact O-N 3.03Å
535L98.8Very high95Very high68 Ų6847 Ų4736%0.35624%0.244SC..Hα-helixtrans-64.9-43.9174.2-67.4173.1000111.5A522 R531 D532 E533 M537 A538 E539A522-L535 HydrophobicContact CB-CD2 3.81Å; A522-L535 HydrophobicContact CB-CG 3.94Å; R531-L535 HydrophobicContact CG-CD1 4.34Å; R531-L535 WeakPolarHBondContact O-CG 3.47Å; R531-L535 PolarHBondContact O-N 3.05Å; D532-L535 PolarHBondContact O-N 2.89Å; E533-L535 VanDerWaalsContact C-N 3.35Å; L535-M537 VanDerWaalsContact C-N 3.32Å; L535-M537 PolarHBondContact O-N 3.42Å; L535-A538 WeakPolarHBondContact O-CB 3.49Å; L535-A538 PolarHBondContact O-N 3.41Å; L535-E539 WeakPolarHBondContact O-CG 3.35Å; L535-E539 PolarHBondContact O-N 3.23Å
536A98.5Very high95.3Very high29 Ų2947.6 Ų47.624%0.2425%0.247CC..Hα-helixtrans-61.9-39.4175.600000112.2D532 E533 E539 N540 W553D532-A536 WeakPolarHBondContact O-CB 3.47Å; D532-A536 PolarHBondContact O-N 2.94Å; E533-A536 PolarHBondContact O-N 3.18Å; A536-E539 PolarHBondContact O-N 2.89Å; A536-N540 VanDerWaalsContact O-CB 3.29Å; A536-N540 WeakPolarHBondContact O-CB 3.4Å; A536-N540 PolarHBondContact O-N 3.09Å; A536-N540 PolarHBondContact O-ND2 3.03Å; A536-W553 HydrophobicContact CB-CH2 4Å; A536-W553 HydrophobicContact CB-CZ3 3.78Å
537M98.7Very high95.9Very high2 Ų246.2 Ų46.21%0.0123%0.231CC..Hα-helixtrans-63.5-41.6174-75.7-175.4-77.300112I365 E533 L534 L535 N540 C541 W553I365-M537 HydrophobicContact CD1-CB 4.38Å; I365-M537 HydrophobicContact CG2-SD 3.43Å; I365-M537 WeakPolarHBondContact CG2-SD 3.43Å; E533-M537 HydrophobicContact CB-CE 4.26Å; E533-M537 WeakPolarHBondContact O-CB 3.17Å; E533-M537 WeakPolarHBondContact O-CE 3.39Å; E533-M537 WeakPolarHBondContact O-CG 3.31Å; E533-M537 PolarHBondContact O-N 2.94Å; L534-M537 HydrophobicContact CD2-CE 3.82Å; L534-M537 HydrophobicContact CG-CE 4.18Å; L534-M537 PolarHBondContact O-N 3.46Å; L535-M537 VanDerWaalsContact C-N 3.32Å; L535-M537 PolarHBondContact O-N 3.42Å; M537-N540 PolarHBondContact O-N 3.33Å; M537-C541 WeakPolarHBondContact O-CB 3.23Å; M537-C541 PolarHBondContact O-N 2.99Å; M537-C541 PolarHBondContact O-SG 3.5Å; M537-W553 HydrophobicContact CG-CH2 3.99Å; M537-W553 HydrophobicContact CG-CZ2 3.42Å; M537-W553 VanDerWaalsContact CG-CZ2 3.42Å; M537-W553 HydrophobicContact SD-CZ2 4.23Å
538A98.9Very high96.6Very high0 Ų045.8 Ų45.80%024%0.237CC..Hα-helixtrans-60.7-50175.900000111.8A518 R519 L534 L535 N540 C541 D542A518-A538 HydrophobicContact CB-CB 4.06Å; R519-A538 HydrophobicContact CG-CB 3.56Å; L534-A538 PolarHBondContact O-N 3.03Å; L535-A538 WeakPolarHBondContact O-CB 3.49Å; L535-A538 PolarHBondContact O-N 3.41Å; A538-N540 VanDerWaalsContact C-N 3.35Å; A538-N540 PolarHBondContact O-N 3.15Å; A538-C541 PolarHBondContact O-N 3.25Å; A538-D542 VanDerWaalsContact O-CG 3.25Å; A538-D542 PolarHBondContact O-N 2.98Å
539E98.8Very high97.2Very high123 Ų12340 Ų4058%0.57521%0.21SC*.Hα-helixtrans-62-41.5178.5-69.6176.9-174.700112.3L535 A536 C541 D542 L543L535-E539 WeakPolarHBondContact O-CG 3.35Å; L535-E539 PolarHBondContact O-N 3.23Å; A536-E539 PolarHBondContact O-N 2.89Å; E539-C541 VanDerWaalsContact C-N 3.32Å; E539-C541 PolarHBondContact O-N 3.34Å; E539-D542 PolarHBondContact O-N 3.35Å; E539-L543 PolarHBondContact O-N 3.3Å
540N98.8Very high97.9Very high16 Ų1641.1 Ų41.19%0.08621%0.206CC..Hα-helixtrans-61.8-42.3175.4-74.8-19.2000111.5A536 M537 A538 L543 I544 W553 Q554A536-N540 VanDerWaalsContact O-CB 3.29Å; A536-N540 WeakPolarHBondContact O-CB 3.4Å; A536-N540 PolarHBondContact O-N 3.09Å; A536-N540 PolarHBondContact O-ND2 3.03Å; M537-N540 PolarHBondContact O-N 3.33Å; A538-N540 VanDerWaalsContact C-N 3.35Å; A538-N540 PolarHBondContact O-N 3.15Å; N540-L543 PolarHBondContact O-N 2.99Å; N540-I544 VanDerWaalsContact O-CG1 3.31Å; N540-I544 WeakPolarHBondContact O-CG1 3.32Å; N540-I544 WeakPolarHBondContact O-CG2 3.37Å; N540-I544 PolarHBondContact O-N 3.48Å; N540-I544 VanDerWaalsContact O-N 3.09Å; N540-W553 VanDerWaalsContact ND2-CD2 3.3Å; N540-Q554 HydrophobicContact CB-CG 3.8Å; N540-Q554 VanDerWaalsContact OD1-CG 3.25Å; N540-Q554 WeakPolarHBondContact OD1-CG 3.41Å; N540-Q554 PolarHBondContact OD1-NE2 3.1Å
541C98.9Very high98.3Very high0 Ų042.9 Ų42.90%022%0.217CC..Hα-helixtrans-65.8-44.2177.6-71.20000112.1I511 A515 M537 A538 E539 L543 I544 A545I511-C541 HydrophobicContact CG2-CB 3.77Å; I511-C541 VanDerWaalsContact CG2-O 3.22Å; I511-C541 WeakPolarHBondContact CG2-O 3.44Å; A515-C541 HydrophobicContact CB-CB 3.64Å; M537-C541 WeakPolarHBondContact O-CB 3.23Å; M537-C541 PolarHBondContact O-N 2.99Å; M537-C541 PolarHBondContact O-SG 3.5Å; A538-C541 PolarHBondContact O-N 3.25Å; E539-C541 VanDerWaalsContact C-N 3.32Å; E539-C541 PolarHBondContact O-N 3.34Å; C541-L543 PolarHBondContact O-N 3.37Å; C541-I544 PolarHBondContact O-N 3.37Å; C541-A545 VanDerWaalsContact O-CB 3.28Å; C541-A545 WeakPolarHBondContact O-CB 3.35Å; C541-A545 PolarHBondContact O-N 2.99Å
542D98.9Very high98.4Very high58 Ų5839 Ų3931%0.3120%0.203SC..Hα-helixtrans-55.1-41.4176.7-60.3-42.2000111.7A515 R519 A538 E539A515-D542 WeakPolarHBondContact CB-OD1 3.38Å; R519-D542 IonicContact CZ-OD1 2.85Å; R519-D542 IonicContact CZ-OD2 3.94Å; R519-D542 IonicContact NH1-OD2 2.68Å; R519-D542 IonicContact NH2-OD1 3.74Å; R519-D542 PolarHBondContact NH2-OD1 3.25Å; R519-D542 IonicContact NH2-OD2 3.83Å; R519-D542 PolarHBondContact NH2-OD2 2.92Å; A538-D542 VanDerWaalsContact O-CG 3.25Å; A538-D542 PolarHBondContact O-N 2.98Å; E539-D542 PolarHBondContact O-N 3.35Å
543L98.8Very high98.6Very high33 Ų3336.9 Ų36.917%0.17319%0.189CC..Hα-helixtrans-70.4-53.4-178.3-172.6149.9000111.2E539 N540 C541 A545 H546 Q547 P548 Q550E539-L543 PolarHBondContact O-N 3.3Å; N540-L543 PolarHBondContact O-N 2.99Å; C541-L543 PolarHBondContact O-N 3.37Å; L543-A545 PolarHBondContact O-N 2.86Å; L543-H546 PolarHBondContact O-N 3.17Å; L543-Q547 HydrophobicContact CD2-CB 4.32Å; L543-Q547 HydrophobicContact CG-CB 4.47Å; L543-Q547 PolarHBondContact O-N 2.93Å; L543-P548 WeakPolarHBondContact CD2-O 3.39Å; L543-Q550 HydrophobicContact CD1-CG 4.21Å; L543-Q550 HydrophobicContact CD2-CG 4.33Å
544I98.8Very high98.8Very high0 Ų035.7 Ų35.70%018%0.184CC..Hα-helixtrans-75.1-13.2-174.571-170.8000113.5I511 N540 C541 H546 P549 Q554 Q557 L558 F561I511-I544 HydrophobicContact CG2-CG1 4.02Å; N540-I544 VanDerWaalsContact O-CG1 3.31Å; N540-I544 WeakPolarHBondContact O-CG1 3.32Å; N540-I544 WeakPolarHBondContact O-CG2 3.37Å; N540-I544 PolarHBondContact O-N 3.48Å; N540-I544 VanDerWaalsContact O-N 3.09Å; C541-I544 PolarHBondContact O-N 3.37Å; I544-H546 PolarHBondContact O-N 3.47Å; I544-P549 HydrophobicContact CG2-CB 4.06Å; I544-Q554 HydrophobicContact CG2-CB 3.61Å; I544-Q554 HydrophobicContact CG2-CG 4.01Å; I544-Q557 HydrophobicContact CD1-CB 3.92Å; I544-Q557 HydrophobicContact CD1-CG 3.57Å; I544-L558 HydrophobicContact CB-CB 4.16Å; I544-L558 HydrophobicContact CB-CD1 4.3Å; I544-L558 HydrophobicContact CB-CD2 4.38Å; I544-L558 HydrophobicContact CB-CG 4.5Å; I544-L558 HydrophobicContact CD1-CB 4.1Å; I544-L558 HydrophobicContact CG1-CB 4.5Å; I544-L558 HydrophobicContact CG2-CB 4.39Å; I544-F561 HydrophobicContact CD1-CD2 4.12Å; I544-F561 HydrophobicContact CD1-CE2 4.21Å
545A98.9Very high98.8Very high0 Ų035.7 Ų35.70%018%0.183CC..THydrogen-bonded Turntrans-59.4-24.9169.700000112.1L469 S508 I511 E512 C541 L543L469-A545 WeakPolarHBondContact CD1-O 3.38Å; S508-A545 WeakPolarHBondContact CB-O 3.24Å; S508-A545 PolarHBondContact OG-O 2.83Å; I511-A545 HydrophobicContact CB-CB 4.05Å; I511-A545 HydrophobicContact CG2-CB 3.84Å; E512-A545 HydrophobicContact CG-CB 3.86Å; C541-A545 VanDerWaalsContact O-CB 3.28Å; C541-A545 WeakPolarHBondContact O-CB 3.35Å; C541-A545 PolarHBondContact O-N 2.99Å; L543-A545 PolarHBondContact O-N 2.86Å
546H98.8Very high98.8Very high53 Ų5332.4 Ų32.425%0.24517%0.166CC..THydrogen-bonded Turntrans-130.3-50.3-174.9-60.8-66.8000112.3L469 D470 E512 L543 I544L469-H546 PolarHBondContact N-O 3.42Å; D470-H546 WeakPolarHBondContact CB-O 3.45Å; D470-H546 PolarHBondContact N-O 3.1Å; D470-H546 IonicContact OD1-ND1 2.63Å; D470-H546 WeakPolarHBondContact OD2-CB 3.43Å; D470-H546 IonicContact OD2-ND1 3.31Å; E512-H546 IonicContact OE1-CD2 3.16Å; E512-H546 IonicContact OE1-CE1 3.15Å; E512-H546 PolarHBondContact OE1-CE1 3.14Å; E512-H546 IonicContact OE1-NE2 2.99Å; E512-H546 PolarHBondContact OE1-NE2 3.43Å; L543-H546 PolarHBondContact O-N 3.17Å; I544-H546 PolarHBondContact O-N 3.47Å
547Q98.7Very high98.8Very high103 Ų10331.1 Ų31.148%0.48116%0.155SC..SBendtrans-98.2160.5-166.6-61.6-177.841.100112.9L543L543-Q547 HydrophobicContact CD2-CB 4.32Å; L543-Q547 HydrophobicContact CG-CB 4.47Å; L543-Q547 PolarHBondContact O-N 2.93Å
548P98.8Very high98.8Very high52 Ų5231 Ų3134%0.33816%0.155SC..PPolyproline II helixtrans-55.9139166.4-21.230.7000111.1E466 L543E466-P548 WeakPolarHBondContact O-CG 3.42Å; L543-P548 WeakPolarHBondContact CD2-O 3.39Å
549P98.8Very high98.8Very high7 Ų731 Ų315%0.04516%0.155CC..PPolyproline II helixtrans-62146.1178.525-32.3000111.2L465 I544 Q554 A555 L558 Y587L465-P549 HydrophobicContact CD2-CG 3.51Å; I544-P549 HydrophobicContact CG2-CB 4.06Å; P549-Q554 HydrophobicContact CB-CB 3.64Å; P549-A555 HydrophobicContact CB-CB 4Å; P549-A555 HydrophobicContact CG-CB 3.94Å; P549-L558 HydrophobicContact CG-CD2 4.24Å; P549-Y587 HydrophobicContact CB-CE1 4.39Å; P549-Y587 HydrophobicContact CG-CE1 4.08Å; P549-Y587 WeakPolarHBondContact O-CE1 3.3Å
550Q98.4Very high98.8Very high108 Ų10825.4 Ų25.451%0.50513%0.128SC..  trans-112.7-10.1-179.5-59.5-174.124.200113.1L543 R590L543-Q550 HydrophobicContact CD1-CG 4.21Å; L543-Q550 HydrophobicContact CD2-CG 4.33Å; Q550-R590 PolarHBondContact O-NH1 2.79Å; Q550-R590 PolarHBondContact O-NH2 3.04Å
551T98.7Very high98.8Very high43 Ų4324.7 Ų24.726%0.26412%0.124SC..SBendtrans-129.7165.2177.269.60000111.6W553 Q554 A555 D591T551-W553 VanDerWaalsContact C-N 3.31Å; T551-Q554 VanDerWaalsContact N-OE1 3.12Å; T551-Q554 PolarHBondContact O-N 3.35Å; T551-Q554 WeakPolarHBondContact OG1-CB 3.35Å; T551-Q554 VanDerWaalsContact OG1-CD 3.31Å; T551-Q554 WeakPolarHBondContact OG1-CG 3.32Å; T551-Q554 PolarHBondContact OG1-N 3.16Å; T551-Q554 VanDerWaalsContact OG1-N 3.11Å; T551-A555 WeakPolarHBondContact O-CB 3.41Å; T551-A555 PolarHBondContact O-N 3.14Å; T551-D591 WeakPolarHBondContact CA-OD2 3.26Å; T551-D591 WeakPolarHBondContact CB-OD2 3.4Å
552F98.8Very high98.8Very high6 Ų625.9 Ų25.93%0.02613%0.131CC..Hα-helixtrans-59.8-42.8173.4177.7-102000111.4A555 L556 L584 Y588 D591 L598 A603 M606 L607F552-A555 PolarHBondContact O-N 3.22Å; F552-L556 HydrophobicContact CE1-CD2 4.29Å; F552-L556 HydrophobicContact CZ-CD2 4.49Å; F552-L556 WeakPolarHBondContact O-CB 3.3Å; F552-L556 PolarHBondContact O-N 2.91Å; F552-L584 HydrophobicContact CD2-CB 4.5Å; F552-L584 HydrophobicContact CE2-CB 4.07Å; F552-L584 HydrophobicContact CE2-CD1 4.23Å; F552-Y588 HydrophobicContact CE2-CD2 4.37Å; F552-D591 HydrophobicContact CB-CB 4.5Å; F552-D591 PolarHBondContact N-OD2 3.03Å; F552-L598 HydrophobicContact CB-CD2 4.23Å; F552-L598 HydrophobicContact CD1-CD2 3.85Å; F552-L598 HydrophobicContact CG-CD2 4.4Å; F552-A603 HydrophobicContact CD1-CB 4.48Å; F552-A603 HydrophobicContact CE1-CB 4.2Å; F552-M606 HydrophobicContact CD1-SD 4.19Å; F552-M606 HydrophobicContact CE1-CB 4.48Å; F552-L607 HydrophobicContact CZ-CD2 4.11Å; F552-L607 HydrophobicContact CZ-CG 4.19Å
553W98.7Very high98.8Very high33 Ų3323.5 Ų23.513%0.12512%0.118CC..Hα-helixtrans-62.2-47.2177.4-167.4-1.8000111.3L363 A536 M537 N540 T551 A555 L556 Q557 M606L363-W553 HydrophobicContact CB-CZ2 4.2Å; L363-W553 HydrophobicContact CD2-CH2 4.27Å; L363-W553 HydrophobicContact CD2-CZ2 4.13Å; L363-W553 WeakPolarHBondContact O-CZ2 3.23Å; L363-W553 PolarHBondContact O-NE1 3.04Å; A536-W553 HydrophobicContact CB-CH2 4Å; A536-W553 HydrophobicContact CB-CZ3 3.78Å; M537-W553 HydrophobicContact CG-CH2 3.99Å; M537-W553 HydrophobicContact CG-CZ2 3.42Å; M537-W553 VanDerWaalsContact CG-CZ2 3.42Å; M537-W553 HydrophobicContact SD-CZ2 4.23Å; N540-W553 VanDerWaalsContact ND2-CD2 3.3Å; T551-W553 VanDerWaalsContact C-N 3.31Å; W553-A555 VanDerWaalsContact C-N 3.35Å; W553-A555 PolarHBondContact O-N 3.16Å; W553-L556 PolarHBondContact O-N 2.85Å; W553-Q557 VanDerWaalsContact O-CB 3.25Å; W553-Q557 WeakPolarHBondContact O-CB 3.43Å; W553-Q557 PolarHBondContact O-N 2.99Å; W553-M606 HydrophobicContact CB-CE 3.94Å; W553-M606 HydrophobicContact CB-SD 3.77Å; W553-M606 HydrophobicContact CD2-CE 3.53Å; W553-M606 HydrophobicContact CD2-SD 4.21Å; W553-M606 HydrophobicContact CE3-CE 3.5Å; W553-M606 HydrophobicContact CG-CE 3.75Å; W553-M606 HydrophobicContact CG-SD 3.81Å; W553-M606 HydrophobicContact CZ3-CE 4.18Å
554Q98.9Very high98.8Very high15 Ų1522.3 Ų22.37%0.0711%0.111CC..Hα-helixtrans-59.8-44.3176.2-73.6166.15.800111.9N540 I544 P549 T551 Q557 L558N540-Q554 HydrophobicContact CB-CG 3.8Å; N540-Q554 VanDerWaalsContact OD1-CG 3.25Å; N540-Q554 WeakPolarHBondContact OD1-CG 3.41Å; N540-Q554 PolarHBondContact OD1-NE2 3.1Å; I544-Q554 HydrophobicContact CG2-CB 3.61Å; I544-Q554 HydrophobicContact CG2-CG 4.01Å; P549-Q554 HydrophobicContact CB-CB 3.64Å; T551-Q554 VanDerWaalsContact N-OE1 3.12Å; T551-Q554 PolarHBondContact O-N 3.35Å; T551-Q554 WeakPolarHBondContact OG1-CB 3.35Å; T551-Q554 VanDerWaalsContact OG1-CD 3.31Å; T551-Q554 WeakPolarHBondContact OG1-CG 3.32Å; T551-Q554 PolarHBondContact OG1-N 3.16Å; T551-Q554 VanDerWaalsContact OG1-N 3.11Å; Q554-Q557 PolarHBondContact O-N 3.03Å; Q554-L558 WeakPolarHBondContact O-CB 3.43Å; Q554-L558 PolarHBondContact O-N 3.14Å
555A98.9Very high98.8Very high0 Ų022.6 Ų22.60%011%0.113CC..Hα-helixtrans-64.6-43.1179.500000112.1L465 P549 T551 F552 W553 C559 L584 Y587L465-A555 HydrophobicContact CD2-CB 3.83Å; P549-A555 HydrophobicContact CB-CB 4Å; P549-A555 HydrophobicContact CG-CB 3.94Å; T551-A555 WeakPolarHBondContact O-CB 3.41Å; T551-A555 PolarHBondContact O-N 3.14Å; F552-A555 PolarHBondContact O-N 3.22Å; W553-A555 VanDerWaalsContact C-N 3.35Å; W553-A555 PolarHBondContact O-N 3.16Å; A555-C559 WeakPolarHBondContact O-CB 3.44Å; A555-C559 PolarHBondContact O-N 2.76Å; A555-C559 PolarHBondContact O-SG 3.02Å; A555-L584 HydrophobicContact CB-CD2 3.69Å; A555-Y587 HydrophobicContact CB-CD1 3.85Å; A555-Y587 HydrophobicContact CB-CD2 3.81Å; A555-Y587 HydrophobicContact CB-CE1 4.09Å; A555-Y587 HydrophobicContact CB-CE2 4.03Å; A555-Y587 HydrophobicContact CB-CG 3.73Å
556L98.8Very high98.8Very high0 Ų024.1 Ų24.10%012%0.121CC..Hα-helixtrans-66.4-44.9176.7-176.761.4000111.6I364 F552 W553 L558 C559 Y560 M580 L584 M606 L607 C610I364-L556 HydrophobicContact CD1-CB 4.41Å; I364-L556 HydrophobicContact CD1-CD2 3.94Å; I364-L556 HydrophobicContact CD1-CG 3.99Å; I364-L556 HydrophobicContact CG1-CD2 4.26Å; F552-L556 HydrophobicContact CE1-CD2 4.29Å; F552-L556 HydrophobicContact CZ-CD2 4.49Å; F552-L556 WeakPolarHBondContact O-CB 3.3Å; F552-L556 PolarHBondContact O-N 2.91Å; W553-L556 PolarHBondContact O-N 2.85Å; L556-L558 PolarHBondContact O-N 2.93Å; L556-C559 PolarHBondContact O-N 2.69Å; L556-Y560 WeakPolarHBondContact O-CB 3.33Å; L556-Y560 PolarHBondContact O-N 3.42Å; L556-M580 HydrophobicContact CD1-CE 4.37Å; L556-M580 HydrophobicContact CD1-SD 4.1Å; L556-L584 HydrophobicContact CB-CD1 4.39Å; L556-L584 HydrophobicContact CD1-CD1 3.82Å; L556-M606 HydrophobicContact CD2-CB 4.01Å; L556-L607 HydrophobicContact CD1-CD2 4.23Å; L556-L607 HydrophobicContact CD2-CD2 4.09Å; L556-C610 HydrophobicContact CD1-CB 4.1Å; L556-C610 HydrophobicContact CD2-CB 4.16Å; L556-C610 HydrophobicContact CG-CB 4.28Å
557Q98.9Very high98.8Very high2 Ų224.2 Ų24.21%0.00912%0.121CC..Hα-helixtrans-61.3-43.5177.4-178.460.966.800111.7I364 I365 I544 W553 Q554 Y560 F561I364-Q557 VanDerWaalsContact CA-OE1 3.29Å; I364-Q557 HydrophobicContact CD1-CB 4.33Å; I365-Q557 PolarHBondContact O-NE2 3.15Å; I544-Q557 HydrophobicContact CD1-CB 3.92Å; I544-Q557 HydrophobicContact CD1-CG 3.57Å; W553-Q557 VanDerWaalsContact O-CB 3.25Å; W553-Q557 WeakPolarHBondContact O-CB 3.43Å; W553-Q557 PolarHBondContact O-N 2.99Å; Q554-Q557 PolarHBondContact O-N 3.03Å; Q557-Y560 PolarHBondContact O-N 2.63Å; Q557-F561 HydrophobicContact CG-CD2 3.93Å; Q557-F561 HydrophobicContact CG-CE2 3.68Å; Q557-F561 WeakPolarHBondContact O-CD2 3.39Å; Q557-F561 PolarHBondContact O-N 2.8Å
558L98.9Very high98.8Very high0 Ų019.3 Ų19.30%010%0.099CC..Hα-helixtrans-65.9-42.4177.1-177.857.6000111.7L464 I511 I544 P549 Q554 L556 Y560 F561 I562L464-L558 HydrophobicContact CD1-CD1 4.35Å; L464-L558 HydrophobicContact CD1-CD2 4.19Å; L464-L558 HydrophobicContact CD1-CG 4.29Å; L464-L558 HydrophobicContact CD2-CD2 4.38Å; L464-L558 HydrophobicContact CD2-CG 3.98Å; L464-L558 HydrophobicContact CG-CD2 3.98Å; L464-L558 HydrophobicContact CG-CG 4.1Å; I511-L558 HydrophobicContact CD1-CD1 4.2Å; I544-L558 HydrophobicContact CB-CB 4.16Å; I544-L558 HydrophobicContact CB-CD1 4.3Å; I544-L558 HydrophobicContact CB-CD2 4.38Å; I544-L558 HydrophobicContact CB-CG 4.5Å; I544-L558 HydrophobicContact CD1-CB 4.1Å; I544-L558 HydrophobicContact CG1-CB 4.5Å; I544-L558 HydrophobicContact CG2-CB 4.39Å; P549-L558 HydrophobicContact CG-CD2 4.24Å; Q554-L558 WeakPolarHBondContact O-CB 3.43Å; Q554-L558 PolarHBondContact O-N 3.14Å; L556-L558 PolarHBondContact O-N 2.93Å; L558-Y560 VanDerWaalsContact C-N 3.31Å; L558-Y560 PolarHBondContact O-N 3.08Å; L558-F561 PolarHBondContact O-N 2.9Å; L558-I562 PolarHBondContact O-N 2.93Å; L558-I562 VanDerWaalsContact O-N 3.16Å
559C98.9Very high98.8Very high0 Ų020.2 Ų20.20%010%0.098CC..Hα-helixtrans-59.9-43.3173.9-70.50000111.3F461 A555 L556 I562 Q563 F577F461-C559 HydrophobicContact CD1-CB 4.01Å; F461-C559 HydrophobicContact CE1-CB 4.14Å; A555-C559 WeakPolarHBondContact O-CB 3.44Å; A555-C559 PolarHBondContact O-N 2.76Å; A555-C559 PolarHBondContact O-SG 3.02Å; L556-C559 PolarHBondContact O-N 2.69Å; C559-I562 PolarHBondContact O-N 2.7Å; C559-Q563 WeakPolarHBondContact O-CB 3.38Å; C559-Q563 PolarHBondContact O-N 3.37Å; C559-F577 HydrophobicContact CB-CE1 3.83Å
560Y98.9Very high98.8Very high5 Ų520.7 Ų20.72%0.0210%0.101CC..Hα-helixtrans-64.3-44.4176.7176.4-106000112.3I364 I365 G366 L556 Q557 L558 I562 Q563 L564 K613 L614I364-Y560 HydrophobicContact CG2-CD1 3.49Å; I364-Y560 VanDerWaalsContact CG2-CD1 3.49Å; I364-Y560 HydrophobicContact CG2-CD2 4.42Å; I364-Y560 HydrophobicContact CG2-CE1 4.26Å; I364-Y560 HydrophobicContact CG2-CG 3.6Å; I365-Y560 VanDerWaalsContact O-CD1 3.3Å; I365-Y560 WeakPolarHBondContact O-CD1 3.28Å; I365-Y560 VanDerWaalsContact O-CE1 3.25Å; I365-Y560 WeakPolarHBondContact O-CE1 3.29Å; G366-Y560 PolarHBondContact O-OH 3.39Å; L556-Y560 WeakPolarHBondContact O-CB 3.33Å; L556-Y560 PolarHBondContact O-N 3.42Å; Q557-Y560 PolarHBondContact O-N 2.63Å; L558-Y560 VanDerWaalsContact C-N 3.31Å; L558-Y560 PolarHBondContact O-N 3.08Å; Y560-I562 VanDerWaalsContact C-N 3.28Å; Y560-I562 PolarHBondContact O-N 2.95Å; Y560-Q563 WeakPolarHBondContact O-CB 3.25Å; Y560-Q563 PolarHBondContact O-N 2.9Å; Y560-Q563 VanDerWaalsContact O-N 3.15Å; Y560-L564 HydrophobicContact CE1-CB 4.33Å; Y560-L564 HydrophobicContact CE1-CD2 4.06Å; Y560-L564 HydrophobicContact CE2-CB 4.49Å; Y560-L564 VanDerWaalsContact O-CB 3.29Å; Y560-L564 WeakPolarHBondContact O-CB 3.42Å; Y560-L564 PolarHBondContact O-N 3.43Å; Y560-K613 HydrophobicContact CD2-CB 4.1Å; Y560-K613 HydrophobicContact CE1-CB 4.17Å; Y560-K613 HydrophobicContact CE1-CG 4.39Å; Y560-K613 HydrophobicContact CE2-CB 3.42Å; Y560-K613 VanDerWaalsContact CE2-CB 3.42Å; Y560-K613 HydrophobicContact CE2-CG 4.43Å; Y560-K613 VanDerWaalsContact CZ-CB 3.48Å; Y560-K613 WeakPolarHBondContact OH-CE 3.16Å; Y560-K613 PolarHBondContact OH-O 3.25Å; Y560-L614 HydrophobicContact CD2-CD2 4.47Å; Y560-L614 HydrophobicContact CE2-CD2 4.46Å
561F98.9Very high98.8Very high0 Ų017.8 Ų17.80%09%0.089CC..Hα-helixtrans-56.5-43176.8-86.7-53.4000112.3I365 I511 F514 I544 Q557 L558 L564 I565I365-F561 HydrophobicContact CG1-CZ 4.14Å; I511-F561 HydrophobicContact CB-CE2 4.36Å; I511-F561 HydrophobicContact CD1-CB 4.36Å; I511-F561 HydrophobicContact CD1-CD2 3.97Å; I511-F561 HydrophobicContact CD1-CG 4.25Å; I511-F561 HydrophobicContact CG1-CB 4.44Å; I511-F561 HydrophobicContact CG1-CD1 4.27Å; I511-F561 HydrophobicContact CG1-CD2 3.71Å; I511-F561 HydrophobicContact CG1-CE1 4.46Å; I511-F561 HydrophobicContact CG1-CE2 3.9Å; I511-F561 HydrophobicContact CG1-CG 3.91Å; I511-F561 HydrophobicContact CG1-CZ 4.28Å; I511-F561 HydrophobicContact CG2-CD2 4.34Å; I511-F561 HydrophobicContact CG2-CE2 3.88Å; I511-F561 HydrophobicContact CG2-CZ 4.43Å; F514-F561 HydrophobicContact CB-CZ 4.04Å; F514-F561 AromaticContact CD2-CE1 3.64Å; F514-F561 HydrophobicContact CD2-CE1 3.64Å; F514-F561 AromaticContact CD2-CZ 3.99Å; F514-F561 HydrophobicContact CD2-CZ 3.99Å; F514-F561 HydrophobicContact CE2-CE1 4.03Å; F514-F561 HydrophobicContact CG-CE1 4.12Å; F514-F561 HydrophobicContact CG-CZ 4.07Å; I544-F561 HydrophobicContact CD1-CD2 4.12Å; I544-F561 HydrophobicContact CD1-CE2 4.21Å; Q557-F561 HydrophobicContact CG-CD2 3.93Å; Q557-F561 HydrophobicContact CG-CE2 3.68Å; Q557-F561 WeakPolarHBondContact O-CD2 3.39Å; Q557-F561 PolarHBondContact O-N 2.8Å; L558-F561 PolarHBondContact O-N 2.9Å; F561-L564 PolarHBondContact O-N 2.98Å; F561-I565 WeakPolarHBondContact O-CB 3.47Å; F561-I565 VanDerWaalsContact O-CG1 3.23Å; F561-I565 WeakPolarHBondContact O-CG1 3.36Å; F561-I565 PolarHBondContact O-N 3.38Å
562I98.8Very high98.7Very high26 Ų2615.8 Ų15.813%0.1338%0.078CC..Hα-helixtrans-68.5-43.2176.9-62.7-49.3000111.4V459 F461 L464 V507 L558 C559 Y560 L564 I565 L566V459-I562 HydrophobicContact CG2-CG2 4.11Å; F461-I562 HydrophobicContact CE1-CB 4.37Å; F461-I562 HydrophobicContact CE1-CG2 4.34Å; L464-I562 HydrophobicContact CD1-CD1 4.49Å; L464-I562 HydrophobicContact CD1-CG1 4.07Å; L464-I562 HydrophobicContact CD2-CB 4.1Å; L464-I562 HydrophobicContact CD2-CG1 3.44Å; L464-I562 VanDerWaalsContact CD2-CG1 3.44Å; L464-I562 HydrophobicContact CG-CG1 4.38Å; V507-I562 HydrophobicContact CG1-CD1 3.94Å; L558-I562 PolarHBondContact O-N 2.93Å; L558-I562 VanDerWaalsContact O-N 3.16Å; C559-I562 PolarHBondContact O-N 2.7Å; Y560-I562 VanDerWaalsContact C-N 3.28Å; Y560-I562 PolarHBondContact O-N 2.95Å; I562-L564 VanDerWaalsContact C-N 3.26Å; I562-L564 PolarHBondContact O-N 2.82Å; I562-I565 PolarHBondContact O-N 2.82Å; I562-L566 HydrophobicContact CG2-CD1 3.86Å; I562-L566 HydrophobicContact CG2-CG 4.21Å; I562-L566 WeakPolarHBondContact O-CB 3.36Å; I562-L566 WeakPolarHBondContact O-CD1 3.28Å; I562-L566 WeakPolarHBondContact O-CG 3.49Å; I562-L566 PolarHBondContact O-N 2.66Å
563Q98.7Very high98.6Very high8 Ų820.4 Ų20.44%0.03710%0.099CC..Hα-helixtrans-56.9-41.3174.6179.769.624.700112.2C559 Y560 Q567 V575 F577 L614C559-Q563 WeakPolarHBondContact O-CB 3.38Å; C559-Q563 PolarHBondContact O-N 3.37Å; Y560-Q563 WeakPolarHBondContact O-CB 3.25Å; Y560-Q563 PolarHBondContact O-N 2.9Å; Y560-Q563 VanDerWaalsContact O-N 3.15Å; Q563-Q567 PolarHBondContact O-NE2 2.97Å; Q563-Q567 VanDerWaalsContact O-NE2 3.09Å; Q563-V575 PolarHBondContact NE2-O 2.98Å; Q563-F577 HydrophobicContact CB-CE1 3.86Å; Q563-F577 HydrophobicContact CB-CE2 4.49Å; Q563-F577 HydrophobicContact CB-CZ 3.72Å; Q563-F577 HydrophobicContact CG-CE1 4.26Å; Q563-F577 HydrophobicContact CG-CE2 4.09Å; Q563-F577 HydrophobicContact CG-CZ 3.82Å; Q563-L614 HydrophobicContact CG-CD2 3.83Å
564L98.8Very high98.6Very high7 Ų721.5 Ų21.54%0.03711%0.112CC..Hα-helixtrans-66.2-54.2177172.763.1000111.1Q368 Y560 F561 I562 L566 Q567 I568Q368-L564 HydrophobicContact CB-CD1 3.76Å; Q368-L564 HydrophobicContact CG-CD1 4.24Å; Y560-L564 HydrophobicContact CE1-CB 4.33Å; Y560-L564 HydrophobicContact CE1-CD2 4.06Å; Y560-L564 HydrophobicContact CE2-CB 4.49Å; Y560-L564 VanDerWaalsContact O-CB 3.29Å; Y560-L564 WeakPolarHBondContact O-CB 3.42Å; Y560-L564 PolarHBondContact O-N 3.43Å; F561-L564 PolarHBondContact O-N 2.98Å; I562-L564 VanDerWaalsContact C-N 3.26Å; I562-L564 PolarHBondContact O-N 2.82Å; L564-L566 VanDerWaalsContact C-N 3.32Å; L564-L566 PolarHBondContact O-N 2.85Å; L564-Q567 CarbonylContact O-C 3.52Å; L564-Q567 WeakPolarHBondContact O-CA 3.37Å; L564-Q567 PolarHBondContact O-N 3.28Å; L564-I568 HydrophobicContact CD1-CD1 4.16Å; L564-I568 HydrophobicContact CD1-CG1 4.4Å; L564-I568 HydrophobicContact CG-CD1 3.96Å; L564-I568 PolarHBondContact O-N 3.24Å
565I98.8Very high98.5Very high6 Ų621.6 Ų21.63%0.03111%0.113CC..Hα-helixtrans-67.9-32.8-173.5-66.2167.3000111.5L347 L351 V507 F561 I562 Q567 I568 E569L347-I565 HydrophobicContact CD2-CG2 4.44Å; L351-I565 HydrophobicContact CD1-CD1 4.47Å; L351-I565 HydrophobicContact CD1-CG2 4.06Å; L351-I565 HydrophobicContact CD2-CG1 4.41Å; V507-I565 HydrophobicContact CB-CD1 4.35Å; V507-I565 HydrophobicContact CG1-CD1 3.87Å; V507-I565 HydrophobicContact CG2-CD1 4.01Å; V507-I565 HydrophobicContact CG2-CG2 4.19Å; F561-I565 WeakPolarHBondContact O-CB 3.47Å; F561-I565 VanDerWaalsContact O-CG1 3.23Å; F561-I565 WeakPolarHBondContact O-CG1 3.36Å; F561-I565 PolarHBondContact O-N 3.38Å; I562-I565 PolarHBondContact O-N 2.82Å; I565-Q567 PolarHBondContact O-N 2.85Å; I565-I568 CarbonylContact O-C 3.57Å; I565-I568 WeakPolarHBondContact O-CA 3.36Å; I565-I568 PolarHBondContact O-N 3.02Å; I565-E569 PolarHBondContact O-N 3.49Å
566L98.7Very high98.5Very high32 Ų3224.2 Ų24.217%0.16813%0.132CC..Hα-helixtrans-56.4-34.7170.1-75.1168.3000112.3V459 I562 L564 E569 S570 V575V459-L566 HydrophobicContact CB-CD1 4.36Å; V459-L566 HydrophobicContact CG1-CD1 3.56Å; V459-L566 HydrophobicContact CG1-CD2 4.22Å; V459-L566 HydrophobicContact CG2-CD1 3.86Å; I562-L566 HydrophobicContact CG2-CD1 3.86Å; I562-L566 HydrophobicContact CG2-CG 4.21Å; I562-L566 WeakPolarHBondContact O-CB 3.36Å; I562-L566 WeakPolarHBondContact O-CD1 3.28Å; I562-L566 WeakPolarHBondContact O-CG 3.49Å; I562-L566 PolarHBondContact O-N 2.66Å; L564-L566 VanDerWaalsContact C-N 3.32Å; L564-L566 PolarHBondContact O-N 2.85Å; L566-E569 VanDerWaalsContact O-CG 3.23Å; L566-E569 WeakPolarHBondContact O-CG 3.32Å; L566-S570 PolarHBondContact O-N 3.19Å; L566-V575 HydrophobicContact CB-CG1 4.15Å; L566-V575 HydrophobicContact CD1-CG1 3.83Å
567Q98.6Very high98.5Very high55 Ų5525.3 Ų25.326%0.25714%0.136SC..Hα-helixtrans-92.6-0.6177.7-64.4176.5106.700113.2Q368 Q563 L564 I565 S570 V575Q368-Q567 PolarHBondContact NE2-O 2.98Å; Q563-Q567 PolarHBondContact O-NE2 2.97Å; Q563-Q567 VanDerWaalsContact O-NE2 3.09Å; L564-Q567 CarbonylContact O-C 3.52Å; L564-Q567 WeakPolarHBondContact O-CA 3.37Å; L564-Q567 PolarHBondContact O-N 3.28Å; I565-Q567 PolarHBondContact O-N 2.85Å; Q567-S570 CarbonylContact C-O 3.6Å; Q567-S570 VanDerWaalsContact C-O 3.3Å; Q567-S570 VanDerWaalsContact CA-O 3.25Å; Q567-S570 WeakPolarHBondContact CA-O 3.4Å; Q567-V575 HydrophobicContact CG-CB 4.15Å; Q567-V575 HydrophobicContact CG-CG2 3.71Å
568I98.8Very high98.4Very high1 Ų127.8 Ų27.81%0.00516%0.163CC..Hα-helixtrans-92.3-39.3165.1-67.2174000109.6R323 L347 H350 L351 Q368 F378 L564 I565 S570R323-I568 WeakPolarHBondContact CD-O 3.4Å; R323-I568 PolarHBondContact NE-O 2.92Å; L347-I568 HydrophobicContact CD1-CG2 4.06Å; H350-I568 VanDerWaalsContact CD2-CG2 3.45Å; H350-I568 WeakPolarHBondContact CD2-CG2 3.34Å; L351-I568 HydrophobicContact CD2-CD1 4.22Å; L351-I568 HydrophobicContact CD2-CG2 4.07Å; Q368-I568 HydrophobicContact CG-CG1 4Å; F378-I568 WeakPolarHBondContact CE1-O 3.4Å; L564-I568 HydrophobicContact CD1-CD1 4.16Å; L564-I568 HydrophobicContact CD1-CG1 4.4Å; L564-I568 HydrophobicContact CG-CD1 3.96Å; L564-I568 PolarHBondContact O-N 3.24Å; I565-I568 CarbonylContact O-C 3.57Å; I565-I568 WeakPolarHBondContact O-CA 3.36Å; I565-I568 PolarHBondContact O-N 3.02Å; I568-S570 VanDerWaalsContact C-N 3.28Å; I568-S570 PolarHBondContact O-N 3.21Å
569E98.7Very high98.4Very high71 Ų7135.5 Ų35.533%0.33219%0.192SC..Hα-helixtrans-69.5-28.7177.472.1169-153.100112.8R323 L347 I565 L566R323-E569 PolarHBondContact NH2-O 3.08Å; L347-E569 HydrophobicContact CD1-CB 4.01Å; L347-E569 HydrophobicContact CD2-CB 3.8Å; L347-E569 HydrophobicContact CG-CB 4.47Å; I565-E569 PolarHBondContact O-N 3.49Å; L566-E569 VanDerWaalsContact O-CG 3.23Å; L566-E569 WeakPolarHBondContact O-CG 3.32Å
570S98.6Very high98.3Very high16 Ų1636.4 Ų36.411%0.11220%0.196CC..  trans-146.3144.8-174.2-177.90000110.9Y381 L566 Q567 I568 G572Y381-S570 PolarHBondContact OH-OG 3.28Å; L566-S570 PolarHBondContact O-N 3.19Å; Q567-S570 CarbonylContact C-O 3.6Å; Q567-S570 VanDerWaalsContact C-O 3.3Å; Q567-S570 VanDerWaalsContact CA-O 3.25Å; Q567-S570 WeakPolarHBondContact CA-O 3.4Å; I568-S570 VanDerWaalsContact C-N 3.28Å; I568-S570 PolarHBondContact O-N 3.21Å; S570-G572 PolarHBondContact OG-N 3.14Å; S570-G572 VanDerWaalsContact OG-N 3.15Å
571N98.2Very high98.3Very high47 Ų4741 Ų4125%0.25122%0.221SC..  trans-88.611.9170.465-17000112.7F378 Y381 T451 S452 G453 H573F378-N571 HydrophobicContact CB-CB 4.23Å; F378-N571 HydrophobicContact CD1-CB 3.73Å; F378-N571 HydrophobicContact CD2-CB 3.54Å; F378-N571 HydrophobicContact CE1-CB 3.91Å; F378-N571 VanDerWaalsContact CE1-N 3.25Å; F378-N571 HydrophobicContact CE2-CB 3.68Å; F378-N571 HydrophobicContact CG-CB 3.58Å; F378-N571 HydrophobicContact CZ-CB 3.89Å; Y381-N571 WeakPolarHBondContact CD2-OD1 3.14Å; Y381-N571 WeakPolarHBondContact CE2-OD1 3.45Å; T451-N571 PolarHBondContact O-ND2 3.04Å; S452-N571 WeakPolarHBondContact CA-OD1 3.28Å; S452-N571 WeakPolarHBondContact CB-OD1 3.43Å; G453-N571 PolarHBondContact N-OD1 3.33Å; N571-H573 PolarHBondContact O-N 2.78Å
572G97.5Very high98.3Very high2 Ų246 Ų462%0.02124%0.244CC..  trans-59.3131.6169.800000109.8G453 A455 S570G453-G572 WeakPolarHBondContact O-CA 3.38Å; A455-G572 WeakPolarHBondContact CB-O 3.37Å; S570-G572 PolarHBondContact OG-N 3.14Å; S570-G572 VanDerWaalsContact OG-N 3.15Å
573H97Very high98.3Very high103 Ų10346 Ų4648%0.47724%0.243SC..  trans-101.1-179.2-179.556.1-86.7000111A455 H456 N571 V575A455-H573 WeakPolarHBondContact CB-O 3.42Å; H456-H573 AromaticContact CE1-CD2 3.57Å; H456-H573 AromaticContact CE1-CE1 3.91Å; H456-H573 AromaticContact CE1-NE2 3.38Å; H456-H573 PolarHBondContact CE1-NE2 3.28Å; H456-H573 PolarHBondContact N-O 3.21Å; H456-H573 VanDerWaalsContact N-O 3.11Å; H456-H573 PolarHBondContact ND1-O 2.88Å; H456-H573 AromaticContact NE2-CD2 3.85Å; H456-H573 AromaticContact NE2-NE2 3.73Å; N571-H573 PolarHBondContact O-N 2.78Å; H573-V575 PolarHBondContact O-N 3.39Å
574S97.4Very high98.3Very high56 Ų5645.9 Ų45.939%0.39224%0.242SC..  trans62.224.8-173.2-48.10000113.1H456 S576H456-S574 PolarHBondContact CD2-OG 3.22Å; H456-S574 PolarHBondContact NE2-OG 2.99Å; H456-S574 VanDerWaalsContact NE2-OG 3.14Å; S574-S576 PolarHBondContact O-N 2.72Å; S574-S576 PolarHBondContact O-OG 3.39Å
575V98Very high98.3Very high16 Ų1650.4 Ų50.410%0.09726%0.26CS..  trans-63.7117.3165.1-174.50000107A455 Q563 L566 Q567 H573A455-V575 HydrophobicContact CB-CG2 3.57Å; Q563-V575 PolarHBondContact NE2-O 2.98Å; L566-V575 HydrophobicContact CB-CG1 4.15Å; L566-V575 HydrophobicContact CD1-CG1 3.83Å; Q567-V575 HydrophobicContact CG-CB 4.15Å; Q567-V575 HydrophobicContact CG-CG2 3.71Å; H573-V575 PolarHBondContact O-N 3.39Å
576S98.2Very high98.3Very high56 Ų5653.8 Ų53.839%0.39228%0.282SS..  trans-119.3138.6-165.5-62.50000111.8L457 A458 S574 G578L457-S576 PolarHBondContact O-N 2.83Å; A458-S576 VanDerWaalsContact CA-O 3.23Å; A458-S576 WeakPolarHBondContact CA-O 3.25Å; A458-S576 WeakPolarHBondContact CB-O 3.35Å; S574-S576 PolarHBondContact O-N 2.72Å; S574-S576 PolarHBondContact O-OG 3.39Å; S576-G578 PolarHBondContact O-N 3.41Å
577F98.3Very high98.3Very high22 Ų2253.7 Ų53.710%0.09628%0.28CS..  trans-67-21172.7-84.3-60000113.8F461 C559 Q563 R579 M580 Y583 W611 L614F461-F577 HydrophobicContact CD2-CD1 4.45Å; F461-F577 HydrophobicContact CE1-CD1 4Å; F461-F577 AromaticContact CE1-CE1 3.99Å; F461-F577 HydrophobicContact CE1-CE1 3.99Å; F461-F577 AromaticContact CE2-CD1 3.82Å; F461-F577 HydrophobicContact CE2-CD1 3.82Å; F461-F577 AromaticContact CZ-CD1 3.55Å; F461-F577 HydrophobicContact CZ-CD1 3.55Å; F461-F577 AromaticContact CZ-CE1 3.86Å; F461-F577 HydrophobicContact CZ-CE1 3.86Å; C559-F577 HydrophobicContact CB-CE1 3.83Å; Q563-F577 HydrophobicContact CB-CE1 3.86Å; Q563-F577 HydrophobicContact CB-CE2 4.49Å; Q563-F577 HydrophobicContact CB-CZ 3.72Å; Q563-F577 HydrophobicContact CG-CE1 4.26Å; Q563-F577 HydrophobicContact CG-CE2 4.09Å; Q563-F577 HydrophobicContact CG-CZ 3.82Å; F577-R579 PolarHBondContact O-N 3.46Å; F577-M580 HydrophobicContact CB-CB 4.38Å; F577-M580 HydrophobicContact CB-CE 3.79Å; F577-M580 HydrophobicContact CD1-CE 3.42Å; F577-M580 VanDerWaalsContact CD1-CE 3.42Å; F577-M580 HydrophobicContact CD2-CE 3.2Å; F577-M580 HydrophobicContact CE1-CE 3.68Å; F577-M580 HydrophobicContact CE2-CE 3.42Å; F577-M580 VanDerWaalsContact CE2-CE 3.42Å; F577-M580 HydrophobicContact CG-CE 3.18Å; F577-M580 HydrophobicContact CZ-CE 3.67Å; F577-Y583 WeakPolarHBondContact CB-OH 2.92Å; F577-Y583 WeakPolarHBondContact CD1-OH 3.07Å; F577-Y583 VanDerWaalsContact O-CE1 3.22Å; F577-Y583 WeakPolarHBondContact O-CE1 3.45Å; F577-Y583 PolarHBondContact O-OH 3.1Å; F577-W611 HydrophobicContact CD2-CZ3 4.31Å; F577-W611 HydrophobicContact CE2-CZ3 4.19Å; F577-L614 HydrophobicContact CD2-CD1 4.23Å; F577-L614 HydrophobicContact CE2-CD1 3.86Å; F577-L614 HydrophobicContact CE2-CD2 3.8Å; F577-L614 HydrophobicContact CE2-CG 4.27Å; F577-L614 HydrophobicContact CZ-CD2 4.43Å
578G97.4Very high98.3Very high54 Ų5453.5 Ų53.556%0.55728%0.277SS*.  trans65.2-132.4-17200000111.4S576 M580S576-G578 PolarHBondContact O-N 3.41Å; G578-M580 VanDerWaalsContact C-N 3.33Å; G578-M580 PolarHBondContact O-N 2.92Å; G578-M580 VanDerWaalsContact O-N 3.09Å
579R98.2Very high98.3Very high163 Ų16359.2 Ų59.262%0.61530%0.299SS*.SBendtrans-88.463.4-173.3-57.7-166.869.4177.5-2.2112.6F577 D581 Q582 Y583F577-R579 PolarHBondContact O-N 3.46Å; R579-D581 PolarHBondContact O-N 2.8Å; R579-Q582 HydrophobicContact CB-CB 4.12Å; R579-Q582 HydrophobicContact CB-CG 3.82Å; R579-Q582 WeakPolarHBondContact O-CB 3.03Å; R579-Q582 PolarHBondContact O-N 2.76Å; R579-Y583 VanDerWaalsContact C-CE1 3.47Å; R579-Y583 WeakPolarHBondContact O-CD1 3.29Å; R579-Y583 WeakPolarHBondContact O-CE1 3.28Å; R579-Y583 PolarHBondContact O-N 2.99Å
580M98.3Very high98.3Very high18 Ų1859.5 Ų59.59%0.08930%0.297CS..Hα-helixtrans-54.8-38.4-177.8-172.4-174.1-72.800113.1L556 F577 G578 Q582 Y583 L584 L607 W611L556-M580 HydrophobicContact CD1-CE 4.37Å; L556-M580 HydrophobicContact CD1-SD 4.1Å; F577-M580 HydrophobicContact CB-CB 4.38Å; F577-M580 HydrophobicContact CB-CE 3.79Å; F577-M580 HydrophobicContact CD1-CE 3.42Å; F577-M580 VanDerWaalsContact CD1-CE 3.42Å; F577-M580 HydrophobicContact CD2-CE 3.2Å; F577-M580 HydrophobicContact CE1-CE 3.68Å; F577-M580 HydrophobicContact CE2-CE 3.42Å; F577-M580 VanDerWaalsContact CE2-CE 3.42Å; F577-M580 HydrophobicContact CG-CE 3.18Å; F577-M580 HydrophobicContact CZ-CE 3.67Å; G578-M580 VanDerWaalsContact C-N 3.33Å; G578-M580 PolarHBondContact O-N 2.92Å; G578-M580 VanDerWaalsContact O-N 3.09Å; M580-Q582 PolarHBondContact O-N 2.65Å; M580-Y583 VanDerWaalsContact CA-CE1 3.5Å; M580-Y583 HydrophobicContact CB-CE1 4.4Å; M580-Y583 HydrophobicContact CB-CE2 4.29Å; M580-Y583 HydrophobicContact CG-CE2 3.99Å; M580-L584 HydrophobicContact CG-CD1 3.38Å; M580-L584 HydrophobicContact CG-CG 3.82Å; M580-L584 WeakPolarHBondContact O-CB 2.97Å; M580-L584 PolarHBondContact O-N 3.1Å; M580-L584 HydrophobicContact SD-CD1 3.68Å; M580-L607 HydrophobicContact SD-CD2 4.34Å; M580-W611 HydrophobicContact CE-CH2 3.71Å; M580-W611 HydrophobicContact CE-CZ3 3.85Å; M580-W611 HydrophobicContact SD-CH2 3.48Å; M580-W611 WeakPolarHBondContact SD-CH2 3.45Å; M580-W611 HydrophobicContact SD-CZ2 4.34Å; M580-W611 HydrophobicContact SD-CZ3 4.17Å
581D98.4Very high98.2Very high102 Ų10259 Ų5955%0.54529%0.293SS..Hα-helixtrans-58.2-26.7175.369.4-50.8000113.3R579 Y585R579-D581 PolarHBondContact O-N 2.8Å; D581-Y585 VanDerWaalsContact O-CB 3.25Å; D581-Y585 WeakPolarHBondContact O-CB 2.92Å
582Q98.7Very high98Very high104 Ų10457.7 Ų57.749%0.48629%0.287SS..Hα-helixtrans-87.7-49.2-178.6-58.9-63.5-63.200112R579 M580 P586R579-Q582 HydrophobicContact CB-CB 4.12Å; R579-Q582 HydrophobicContact CB-CG 3.82Å; R579-Q582 WeakPolarHBondContact O-CB 3.03Å; R579-Q582 PolarHBondContact O-N 2.76Å; M580-Q582 PolarHBondContact O-N 2.65Å; Q582-P586 WeakPolarHBondContact O-CD 3.33Å
583Y98.7Very high97.8Very high27 Ų2761.8 Ų61.811%0.10631%0.305CS..Hα-helixtrans-83.8-20.1-173.660.9-111.2000113.9F461 P462 L465 F577 R579 M580F461-Y583 HydrophobicContact CB-CD1 4.31Å; F461-Y583 HydrophobicContact CB-CD2 4.22Å; F461-Y583 HydrophobicContact CB-CE1 3.96Å; F461-Y583 HydrophobicContact CB-CE2 3.88Å; F461-Y583 HydrophobicContact CB-CG 4.43Å; F461-Y583 HydrophobicContact CD2-CE1 4.27Å; F461-Y583 HydrophobicContact CG-CE1 4.41Å; F461-Y583 HydrophobicContact CG-CE2 4.35Å; F461-Y583 AromaticContact CG-CZ 3.95Å; P462-Y583 HydrophobicContact CG-CD1 4.31Å; P462-Y583 HydrophobicContact CG-CG 4.4Å; L465-Y583 HydrophobicContact CD1-CD2 3.52Å; L465-Y583 HydrophobicContact CD1-CE2 4.23Å; L465-Y583 HydrophobicContact CD1-CG 4.29Å; F577-Y583 WeakPolarHBondContact CB-OH 2.92Å; F577-Y583 WeakPolarHBondContact CD1-OH 3.07Å; F577-Y583 VanDerWaalsContact O-CE1 3.22Å; F577-Y583 WeakPolarHBondContact O-CE1 3.45Å; F577-Y583 PolarHBondContact O-OH 3.1Å; R579-Y583 VanDerWaalsContact C-CE1 3.47Å; R579-Y583 WeakPolarHBondContact O-CD1 3.29Å; R579-Y583 WeakPolarHBondContact O-CE1 3.28Å; R579-Y583 PolarHBondContact O-N 2.99Å; M580-Y583 VanDerWaalsContact CA-CE1 3.5Å; M580-Y583 HydrophobicContact CB-CE1 4.4Å; M580-Y583 HydrophobicContact CB-CE2 4.29Å; M580-Y583 HydrophobicContact CG-CE2 3.99Å
584L98.7Very high97.8Very high5 Ų562 Ų623%0.02631%0.309CS..SBendtrans-88.1-17.1170.5-65.5-172.1000113.3L465 F552 A555 L556 M580 P586 Y587 Y588L465-L584 HydrophobicContact CD1-CD2 3.93Å; F552-L584 HydrophobicContact CD2-CB 4.5Å; F552-L584 HydrophobicContact CE2-CB 4.07Å; F552-L584 HydrophobicContact CE2-CD1 4.23Å; A555-L584 HydrophobicContact CB-CD2 3.69Å; L556-L584 HydrophobicContact CB-CD1 4.39Å; L556-L584 HydrophobicContact CD1-CD1 3.82Å; M580-L584 HydrophobicContact CG-CD1 3.38Å; M580-L584 HydrophobicContact CG-CG 3.82Å; M580-L584 WeakPolarHBondContact O-CB 2.97Å; M580-L584 PolarHBondContact O-N 3.1Å; M580-L584 HydrophobicContact SD-CD1 3.68Å; L584-P586 VanDerWaalsContact C-CD 3.47Å; L584-Y587 WeakPolarHBondContact O-CB 3.33Å; L584-Y587 PolarHBondContact O-N 3.27Å; L584-Y587 VanDerWaalsContact O-N 3.08Å; L584-Y588 PolarHBondContact O-N 3.07Å
585Y98.8Very high97.7Very high102 Ų10264 Ų6440%0.432%0.315SS..Hα-helixtrans-56.9-39.6-178-178.1-114.9000114.6D581 Y587 Y588 R589 E593D581-Y585 VanDerWaalsContact O-CB 3.25Å; D581-Y585 WeakPolarHBondContact O-CB 2.92Å; Y585-Y587 PolarHBondContact O-N 3.1Å; Y585-Y588 HydrophobicContact CD2-CD1 4.17Å; Y585-Y588 HydrophobicContact CE2-CD1 4.21Å; Y585-Y588 PolarHBondContact O-N 2.78Å; Y585-R589 HydrophobicContact CD2-CB 4.43Å; Y585-R589 HydrophobicContact CE1-CB 4.26Å; Y585-R589 HydrophobicContact CE2-CB 4.05Å; Y585-R589 WeakPolarHBondContact O-CB 3.16Å; Y585-R589 PolarHBondContact O-N 3.45Å; Y585-E593 PolarHBondContact OH-OE2 3.11Å
586P98.7Very high97.4Very high78 Ų7870.7 Ų70.751%0.50635%0.346SS..Hα-helixtrans-56-38.2176.1-27.336.2000113.3Q582 L584 R590Q582-P586 WeakPolarHBondContact O-CD 3.33Å; L584-P586 VanDerWaalsContact C-CD 3.47Å; P586-R590 WeakPolarHBondContact O-CB 3.46Å; P586-R590 PolarHBondContact O-N 3.3Å
587Y98.8Very high97.2Very high29 Ų2973 Ų7311%0.11436%0.358CS..Hα-helixtrans-73.8-48177.9-55-89.7000111.4L465 P549 A555 L584 Y585 R589 R590 D591L465-Y587 HydrophobicContact CB-CE2 4.42Å; L465-Y587 HydrophobicContact CD1-CE2 4.14Å; L465-Y587 PolarHBondContact O-OH 3.33Å; P549-Y587 HydrophobicContact CB-CE1 4.39Å; P549-Y587 HydrophobicContact CG-CE1 4.08Å; P549-Y587 WeakPolarHBondContact O-CE1 3.3Å; A555-Y587 HydrophobicContact CB-CD1 3.85Å; A555-Y587 HydrophobicContact CB-CD2 3.81Å; A555-Y587 HydrophobicContact CB-CE1 4.09Å; A555-Y587 HydrophobicContact CB-CE2 4.03Å; A555-Y587 HydrophobicContact CB-CG 3.73Å; L584-Y587 WeakPolarHBondContact O-CB 3.33Å; L584-Y587 PolarHBondContact O-N 3.27Å; L584-Y587 VanDerWaalsContact O-N 3.08Å; Y585-Y587 PolarHBondContact O-N 3.1Å; Y587-R589 PolarHBondContact O-N 3.26Å; Y587-R590 PolarHBondContact O-N 3.48Å; Y587-D591 WeakPolarHBondContact O-CB 3.47Å; Y587-D591 VanDerWaalsContact O-CG 3.28Å; Y587-D591 PolarHBondContact O-N 2.86Å
588Y98.6Very high96.9Very high52 Ų5273.1 Ų73.120%0.20436%0.359CS..Hα-helixtrans-56.7-50.3176.2174-85.9000111.3F552 L584 Y585 R590 D591 V592 E593 A603F552-Y588 HydrophobicContact CE2-CD2 4.37Å; L584-Y588 PolarHBondContact O-N 3.07Å; Y585-Y588 HydrophobicContact CD2-CD1 4.17Å; Y585-Y588 HydrophobicContact CE2-CD1 4.21Å; Y585-Y588 PolarHBondContact O-N 2.78Å; Y588-R590 VanDerWaalsContact C-N 3.33Å; Y588-R590 PolarHBondContact O-N 2.71Å; Y588-D591 PolarHBondContact O-N 3.35Å; Y588-V592 HydrophobicContact CD2-CB 4.43Å; Y588-V592 HydrophobicContact CD2-CG2 3.81Å; Y588-V592 HydrophobicContact CE1-CB 4.2Å; Y588-V592 HydrophobicContact CE1-CG1 4.36Å; Y588-V592 HydrophobicContact CE2-CB 4.15Å; Y588-V592 HydrophobicContact CE2-CG1 4.24Å; Y588-V592 HydrophobicContact CE2-CG2 3.72Å; Y588-V592 HydrophobicContact CG-CG2 4.3Å; Y588-V592 VanDerWaalsContact O-CB 3.27Å; Y588-V592 WeakPolarHBondContact O-CB 3.35Å; Y588-V592 WeakPolarHBondContact O-CG2 3.49Å; Y588-V592 PolarHBondContact O-N 2.72Å; Y588-E593 HydrophobicContact CE1-CG 4.15Å; Y588-A603 HydrophobicContact CD2-CB 4.24Å; Y588-A603 HydrophobicContact CE2-CB 3.99Å
589R98.5Very high96.4Very high120 Ų12074.3 Ų74.345%0.45335%0.353SS..Iπ-helixtrans-58.2-47.1-179.8172168.3-169.4-157.90.4111.2Y585 Y587 E593 L594Y585-R589 HydrophobicContact CD2-CB 4.43Å; Y585-R589 HydrophobicContact CE1-CB 4.26Å; Y585-R589 HydrophobicContact CE2-CB 4.05Å; Y585-R589 WeakPolarHBondContact O-CB 3.16Å; Y585-R589 PolarHBondContact O-N 3.45Å; Y587-R589 PolarHBondContact O-N 3.26Å; R589-E593 HydrophobicContact CG-CB 4.41Å; R589-E593 VanDerWaalsContact CG-OE2 3.31Å; R589-E593 WeakPolarHBondContact CG-OE2 3.39Å; R589-E593 IonicContact NE-OE2 3.84Å; R589-E593 WeakPolarHBondContact O-CA 3.49Å; R589-E593 VanDerWaalsContact O-CB 3.31Å; R589-E593 WeakPolarHBondContact O-CB 3.39Å; R589-E593 PolarHBondContact O-N 3.21Å; R589-L594 HydrophobicContact CG-CD1 4.05Å; R589-L594 HydrophobicContact CG-CG 4.1Å; R589-L594 WeakPolarHBondContact O-CG 3.38Å; R589-L594 PolarHBondContact O-N 2.78Å
590R98.5Very high96Very high77 Ų7773.2 Ų73.229%0.29135%0.349SS..Iπ-helixtrans-61.7-48.4179.5-176.2-172.860.6-133.8-23.4110.9Q550 P586 Y587 Y588 N595Q550-R590 PolarHBondContact O-NH1 2.79Å; Q550-R590 PolarHBondContact O-NH2 3.04Å; P586-R590 WeakPolarHBondContact O-CB 3.46Å; P586-R590 PolarHBondContact O-N 3.3Å; Y587-R590 PolarHBondContact O-N 3.48Å; Y588-R590 VanDerWaalsContact C-N 3.33Å; Y588-R590 PolarHBondContact O-N 2.71Å; R590-N595 WeakPolarHBondContact CG-ND2 3.28Å; R590-N595 VanDerWaalsContact O-CB 3.22Å; R590-N595 WeakPolarHBondContact O-CB 3.46Å; R590-N595 PolarHBondContact O-N 3.4Å
591D98.4Very high95.2Very high7 Ų778 Ų784%0.03737%0.371CS..Iπ-helixtrans-81.6-33.9-169-61.611.3000112.3T551 F552 Y587 Y588 Q596 T597 L598T551-D591 WeakPolarHBondContact CA-OD2 3.26Å; T551-D591 WeakPolarHBondContact CB-OD2 3.4Å; F552-D591 HydrophobicContact CB-CB 4.5Å; F552-D591 PolarHBondContact N-OD2 3.03Å; Y587-D591 WeakPolarHBondContact O-CB 3.47Å; Y587-D591 VanDerWaalsContact O-CG 3.28Å; Y587-D591 PolarHBondContact O-N 2.86Å; Y588-D591 PolarHBondContact O-N 3.35Å; D591-Q596 CarbonylContact O-C 3.58Å; D591-Q596 VanDerWaalsContact O-CA 3.3Å; D591-Q596 WeakPolarHBondContact O-CA 3.5Å; D591-Q596 PolarHBondContact O-N 3.08Å; D591-Q596 VanDerWaalsContact O-N 3.15Å; D591-T597 PolarHBondContact O-N 3.18Å; D591-T597 PolarHBondContact O-OG1 3.35Å; D591-L598 HydrophobicContact CB-CB 4.19Å; D591-L598 PolarHBondContact O-N 3.33Å; D591-L598 VanDerWaalsContact O-N 3.13Å
592V92.8Very high94.6Very high19 Ų1977.5 Ų77.512%0.11537%0.365CS..Iπ-helixtrans-97.5-47.6-176.4-176.70000113Y588 L598 R600 A603Y588-V592 HydrophobicContact CD2-CB 4.43Å; Y588-V592 HydrophobicContact CD2-CG2 3.81Å; Y588-V592 HydrophobicContact CE1-CB 4.2Å; Y588-V592 HydrophobicContact CE1-CG1 4.36Å; Y588-V592 HydrophobicContact CE2-CB 4.15Å; Y588-V592 HydrophobicContact CE2-CG1 4.24Å; Y588-V592 HydrophobicContact CE2-CG2 3.72Å; Y588-V592 HydrophobicContact CG-CG2 4.3Å; Y588-V592 VanDerWaalsContact O-CB 3.27Å; Y588-V592 WeakPolarHBondContact O-CB 3.35Å; Y588-V592 WeakPolarHBondContact O-CG2 3.49Å; Y588-V592 PolarHBondContact O-N 2.72Å; V592-L598 VanDerWaalsContact CA-O 3.28Å; V592-L598 WeakPolarHBondContact CA-O 3.33Å; V592-L598 HydrophobicContact CG2-CB 4.26Å; V592-L598 HydrophobicContact CG2-CD2 4.17Å; V592-L598 HydrophobicContact CG2-CG 4.22Å; V592-L598 WeakPolarHBondContact CG2-O 3.5Å; V592-R600 HydrophobicContact CG1-CB 4.15Å; V592-A603 HydrophobicContact CG2-CB 4.13Å
593E93.8Very high94.3Very high87 Ų8772.6 Ų72.641%0.40734%0.342SS..Iπ-helixtrans-89.1-40.1-171.6-56.4176.9172.200112.3Y585 Y588 R589Y585-E593 PolarHBondContact OH-OE2 3.11Å; Y588-E593 HydrophobicContact CE1-CG 4.15Å; R589-E593 HydrophobicContact CG-CB 4.41Å; R589-E593 VanDerWaalsContact CG-OE2 3.31Å; R589-E593 WeakPolarHBondContact CG-OE2 3.39Å; R589-E593 IonicContact NE-OE2 3.84Å; R589-E593 WeakPolarHBondContact O-CA 3.49Å; R589-E593 VanDerWaalsContact O-CB 3.31Å; R589-E593 WeakPolarHBondContact O-CB 3.39Å; R589-E593 PolarHBondContact O-N 3.21Å
594L96.3Very high93.9Very high107 Ų10773.4 Ų73.456%0.5635%0.348SS*.Iπ-helixtrans-94.6-57.6-171.7-59.8179.3000112.6R589R589-L594 HydrophobicContact CG-CD1 4.05Å; R589-L594 HydrophobicContact CG-CG 4.1Å; R589-L594 WeakPolarHBondContact O-CG 3.38Å; R589-L594 PolarHBondContact O-N 2.78Å
595N95.7Very high93.6Very high99 Ų9975 Ų7553%0.52936%0.355SS..SBendtrans-90.3-21-174.3-63.6-7.2000112.7R590 T597R590-N595 WeakPolarHBondContact CG-ND2 3.28Å; R590-N595 VanDerWaalsContact O-CB 3.22Å; R590-N595 WeakPolarHBondContact O-CB 3.46Å; R590-N595 PolarHBondContact O-N 3.4Å; N595-T597 HydrophobicContact CB-CG2 4Å; N595-T597 PolarHBondContact O-N 3.34Å; N595-T597 VanDerWaalsContact O-N 3.17Å
596Q90.8Very high93.5Very high156 Ų15670.6 Ų70.673%0.72934%0.339SS*.  trans53.233.9-178.4-58.2-179.9-17.900113D591 L598D591-Q596 CarbonylContact O-C 3.58Å; D591-Q596 VanDerWaalsContact O-CA 3.3Å; D591-Q596 WeakPolarHBondContact O-CA 3.5Å; D591-Q596 PolarHBondContact O-N 3.08Å; D591-Q596 VanDerWaalsContact O-N 3.15Å; Q596-L598 VanDerWaalsContact C-N 3.29Å
597T94.8Very high93.4Very high106 Ų10669.1 Ų69.165%0.6533%0.326SS*.SBendtrans-80.7-13.9174.2510000112.3D591 N595D591-T597 PolarHBondContact O-N 3.18Å; D591-T597 PolarHBondContact O-OG1 3.35Å; N595-T597 HydrophobicContact CB-CG2 4Å; N595-T597 PolarHBondContact O-N 3.34Å; N595-T597 VanDerWaalsContact O-N 3.17Å
598L92.9Very high93.3Very high24 Ų2471.6 Ų71.613%0.12634%0.338CS..SBendtrans-136.5126.6175.817865.8000107.6F552 D591 V592 Q596 H602 A603 M606F552-L598 HydrophobicContact CB-CD2 4.23Å; F552-L598 HydrophobicContact CD1-CD2 3.85Å; F552-L598 HydrophobicContact CG-CD2 4.4Å; D591-L598 HydrophobicContact CB-CB 4.19Å; D591-L598 PolarHBondContact O-N 3.33Å; D591-L598 VanDerWaalsContact O-N 3.13Å; V592-L598 VanDerWaalsContact CA-O 3.28Å; V592-L598 WeakPolarHBondContact CA-O 3.33Å; V592-L598 HydrophobicContact CG2-CB 4.26Å; V592-L598 HydrophobicContact CG2-CD2 4.17Å; V592-L598 HydrophobicContact CG2-CG 4.22Å; V592-L598 WeakPolarHBondContact CG2-O 3.5Å; Q596-L598 VanDerWaalsContact C-N 3.29Å; L598-H602 HydrophobicContact CD1-CB 3.66Å; L598-A603 HydrophobicContact CD2-CB 3.87Å; L598-A603 HydrophobicContact CG-CB 4.27Å; L598-M606 HydrophobicContact CD1-CE 3.8Å; L598-M606 HydrophobicContact CD1-SD 4.39Å; L598-M606 HydrophobicContact CD2-SD 4.17Å
599D86.9Confident93.2Very high79 Ų7969.1 Ų69.142%0.42233%0.329SS..  trans-79.5163.317166.580.6000112.1E601 H602 A603D599-E601 VanDerWaalsContact C-N 3.3Å; D599-E601 PolarHBondContact O-N 2.92Å; D599-E601 PolarHBondContact OD1-N 2.76Å; D599-H602 VanDerWaalsContact CG-ND1 3.29Å; D599-H602 PolarHBondContact O-N 3.3Å; D599-H602 IonicContact OD1-CG 2.84Å; D599-H602 PolarHBondContact OD1-N 2.98Å; D599-H602 IonicContact OD1-ND1 2.72Å; D599-H602 PolarHBondContact OD1-ND1 3.03Å; D599-H602 IonicContact OD2-CE1 3.59Å; D599-H602 PolarHBondContact OD2-CE1 2.85Å; D599-H602 IonicContact OD2-CG 2.63Å; D599-H602 IonicContact OD2-ND1 3.96Å; D599-H602 PolarHBondContact OD2-ND1 3.18Å; D599-A603 PolarHBondContact O-N 3.32Å
600R88.1Confident93.2Very high139 Ų13963.4 Ų63.453%0.52531%0.307SS..Hα-helixtrans-62.7-34.2-175.9-177.6177.9176.4-77.3-4113.1V592 A603 I604V592-R600 HydrophobicContact CG1-CB 4.15Å; R600-A603 PolarHBondContact O-N 2.92Å; R600-I604 HydrophobicContact CG-CD1 4.32Å; R600-I604 VanDerWaalsContact NH1-CD1 3.27Å; R600-I604 WeakPolarHBondContact O-CG1 3.27Å; R600-I604 PolarHBondContact O-N 2.87Å
601E81.5Confident93.2Very high119 Ų11965 Ų6556%0.55631%0.313SS*.Hα-helixtrans-75.3-39.8-176.1-63.3-54.6124.500110.7D599 A603 I604 E605D599-E601 VanDerWaalsContact C-N 3.3Å; D599-E601 PolarHBondContact O-N 2.92Å; D599-E601 PolarHBondContact OD1-N 2.76Å; E601-A603 VanDerWaalsContact C-N 3.32Å; E601-A603 PolarHBondContact O-N 2.92Å; E601-I604 WeakPolarHBondContact O-CB 3.41Å; E601-I604 PolarHBondContact O-N 2.92Å; E601-I604 VanDerWaalsContact O-N 3.15Å; E601-E605 PolarHBondContact O-N 2.93Å
602H86.6Confident93.1Very high92 Ų9265.3 Ų65.343%0.42632%0.315SS..Hα-helixtrans-64.2-36.1169.8-72110.9000112.2L598 D599 I604 E605 M606L598-H602 HydrophobicContact CD1-CB 3.66Å; D599-H602 VanDerWaalsContact CG-ND1 3.29Å; D599-H602 PolarHBondContact O-N 3.3Å; D599-H602 IonicContact OD1-CG 2.84Å; D599-H602 PolarHBondContact OD1-N 2.98Å; D599-H602 IonicContact OD1-ND1 2.72Å; D599-H602 PolarHBondContact OD1-ND1 3.03Å; D599-H602 IonicContact OD2-CE1 3.59Å; D599-H602 PolarHBondContact OD2-CE1 2.85Å; D599-H602 IonicContact OD2-CG 2.63Å; D599-H602 IonicContact OD2-ND1 3.96Å; D599-H602 PolarHBondContact OD2-ND1 3.18Å; H602-I604 VanDerWaalsContact C-N 3.3Å; H602-I604 PolarHBondContact O-N 2.86Å; H602-E605 IonicContact CD2-OE2 3.6Å; H602-E605 PolarHBondContact O-N 2.99Å; H602-M606 WeakPolarHBondContact O-CG 3.48Å; H602-M606 PolarHBondContact O-N 3.15Å
603A93.1Very high93.4Very high1 Ų164.5 Ų64.51%0.00831%0.31CS..Hα-helixtrans-62.1-37.4172.600000112.3F552 Y588 V592 L598 D599 R600 E601 L607F552-A603 HydrophobicContact CD1-CB 4.48Å; F552-A603 HydrophobicContact CE1-CB 4.2Å; Y588-A603 HydrophobicContact CD2-CB 4.24Å; Y588-A603 HydrophobicContact CE2-CB 3.99Å; V592-A603 HydrophobicContact CG2-CB 4.13Å; L598-A603 HydrophobicContact CD2-CB 3.87Å; L598-A603 HydrophobicContact CG-CB 4.27Å; D599-A603 PolarHBondContact O-N 3.32Å; R600-A603 PolarHBondContact O-N 2.92Å; E601-A603 VanDerWaalsContact C-N 3.32Å; E601-A603 PolarHBondContact O-N 2.92Å; A603-L607 WeakPolarHBondContact O-CG 2.83Å; A603-L607 PolarHBondContact O-N 3.33Å
604I90.8Very high93.6Very high43 Ų4363.7 Ų63.722%0.22131%0.308CS..Hα-helixtrans-66.9-42.8172.9-73169.6000111R600 E601 H602 M606 L607 H608R600-I604 HydrophobicContact CG-CD1 4.32Å; R600-I604 VanDerWaalsContact NH1-CD1 3.27Å; R600-I604 WeakPolarHBondContact O-CG1 3.27Å; R600-I604 PolarHBondContact O-N 2.87Å; E601-I604 WeakPolarHBondContact O-CB 3.41Å; E601-I604 PolarHBondContact O-N 2.92Å; E601-I604 VanDerWaalsContact O-N 3.15Å; H602-I604 VanDerWaalsContact C-N 3.3Å; H602-I604 PolarHBondContact O-N 2.86Å; I604-M606 VanDerWaalsContact C-N 3.32Å; I604-M606 PolarHBondContact O-N 3.33Å; I604-L607 WeakPolarHBondContact O-CB 3.41Å; I604-L607 PolarHBondContact O-N 3.47Å; I604-L607 VanDerWaalsContact O-N 3.13Å; I604-H608 WeakPolarHBondContact CG2-CE1 3.31Å; I604-H608 PolarHBondContact O-N 2.9Å
605E91.4Very high93.6Very high38 Ų3862.1 Ų62.118%0.17830%0.3CS..Hα-helixtrans-61.9-38.6177.4-166.9-178-157.500112.1R303 I304 L363 E601 H602 H608 S609R303-E605 WeakPolarHBondContact CD-OE1 3.31Å; R303-E605 IonicContact CZ-OE1 2.67Å; R303-E605 IonicContact NE-OE1 2.67Å; R303-E605 PolarHBondContact NE-OE1 2.81Å; R303-E605 IonicContact NE-OE2 3.85Å; R303-E605 IonicContact NH2-OE1 3.76Å; R303-E605 IonicContact NH2-OE2 2.71Å; I304-E605 HydrophobicContact CD1-CG 3.97Å; I304-E605 HydrophobicContact CG1-CG 3.96Å; L363-E605 HydrophobicContact CD1-CB 4.43Å; L363-E605 HydrophobicContact CD1-CG 4Å; E601-E605 PolarHBondContact O-N 2.93Å; H602-E605 IonicContact CD2-OE2 3.6Å; H602-E605 PolarHBondContact O-N 2.99Å; E605-H608 PolarHBondContact O-N 3.37Å; E605-S609 WeakPolarHBondContact O-CB 3.48Å; E605-S609 PolarHBondContact O-N 3.22Å; E605-S609 PolarHBondContact O-OG 3.3Å
606M96.5Very high93.6Very high11 Ų1158.9 Ų58.95%0.05428%0.282CS..Hα-helixtrans-62.7-41.3172.3-70.7177.3-176.500111.9L363 F552 W553 L556 L598 H602 I604 S609 C610L363-M606 HydrophobicContact CD1-CG 4.06Å; F552-M606 HydrophobicContact CD1-SD 4.19Å; F552-M606 HydrophobicContact CE1-CB 4.48Å; W553-M606 HydrophobicContact CB-CE 3.94Å; W553-M606 HydrophobicContact CB-SD 3.77Å; W553-M606 HydrophobicContact CD2-CE 3.53Å; W553-M606 HydrophobicContact CD2-SD 4.21Å; W553-M606 HydrophobicContact CE3-CE 3.5Å; W553-M606 HydrophobicContact CG-CE 3.75Å; W553-M606 HydrophobicContact CG-SD 3.81Å; W553-M606 HydrophobicContact CZ3-CE 4.18Å; L556-M606 HydrophobicContact CD2-CB 4.01Å; L598-M606 HydrophobicContact CD1-CE 3.8Å; L598-M606 HydrophobicContact CD1-SD 4.39Å; L598-M606 HydrophobicContact CD2-SD 4.17Å; H602-M606 WeakPolarHBondContact O-CG 3.48Å; H602-M606 PolarHBondContact O-N 3.15Å; I604-M606 VanDerWaalsContact C-N 3.32Å; I604-M606 PolarHBondContact O-N 3.33Å; M606-S609 WeakPolarHBondContact O-CB 3.39Å; M606-S609 PolarHBondContact O-N 2.96Å; M606-C610 PolarHBondContact O-N 3.01Å
607L97.5Very high93.8Very high46 Ų4654.1 Ų54.124%0.24126%0.259CS..Hα-helixtrans-65.4-42.8174.2-71.6173.1000111.6F552 L556 M580 A603 I604 S609 C610 W611F552-L607 HydrophobicContact CZ-CD2 4.11Å; F552-L607 HydrophobicContact CZ-CG 4.19Å; L556-L607 HydrophobicContact CD1-CD2 4.23Å; L556-L607 HydrophobicContact CD2-CD2 4.09Å; M580-L607 HydrophobicContact SD-CD2 4.34Å; A603-L607 WeakPolarHBondContact O-CG 2.83Å; A603-L607 PolarHBondContact O-N 3.33Å; I604-L607 WeakPolarHBondContact O-CB 3.41Å; I604-L607 PolarHBondContact O-N 3.47Å; I604-L607 VanDerWaalsContact O-N 3.13Å; L607-S609 VanDerWaalsContact C-N 3.29Å; L607-S609 PolarHBondContact O-N 3.32Å; L607-C610 WeakPolarHBondContact O-CB 3.33Å; L607-C610 PolarHBondContact O-N 3.05Å; L607-W611 HydrophobicContact CD2-CZ2 4.15Å; L607-W611 VanDerWaalsContact O-CD1 3.3Å; L607-W611 PolarHBondContact O-N 3.36Å
608H95.5Very high93.7Very high81 Ų8151.3 Ų51.338%0.37524%0.239SC..Hα-helixtrans-59-42.7173.6-70.2164.9000111.6I304 I604 E605 W611 L612I304-H608 HydrophobicContact CB-CB 4.41Å; I304-H608 HydrophobicContact CD1-CB 3.54Å; I304-H608 HydrophobicContact CG1-CB 3.72Å; I304-H608 HydrophobicContact CG2-CB 3.79Å; I604-H608 WeakPolarHBondContact CG2-CE1 3.31Å; I604-H608 PolarHBondContact O-N 2.9Å; E605-H608 PolarHBondContact O-N 3.37Å; H608-W611 PolarHBondContact O-N 3.39Å; H608-L612 WeakPolarHBondContact O-CG 3.46Å; H608-L612 PolarHBondContact O-N 3.21Å
609S96.6Very high93.7Very high0 Ų052.8 Ų52.80%025%0.245CC..Hα-helixtrans-57.3-52.4174-60.50000109.9E605 M606 L607 W611 L612 K613E605-S609 WeakPolarHBondContact O-CB 3.48Å; E605-S609 PolarHBondContact O-N 3.22Å; E605-S609 PolarHBondContact O-OG 3.3Å; M606-S609 WeakPolarHBondContact O-CB 3.39Å; M606-S609 PolarHBondContact O-N 2.96Å; L607-S609 VanDerWaalsContact C-N 3.29Å; L607-S609 PolarHBondContact O-N 3.32Å; S609-W611 VanDerWaalsContact C-N 3.3Å; S609-W611 PolarHBondContact O-N 2.9Å; S609-L612 PolarHBondContact O-N 3.49Å; S609-L612 VanDerWaalsContact O-N 3.15Å; S609-K613 VanDerWaalsContact O-CG 3.28Å; S609-K613 WeakPolarHBondContact O-CG 3.45Å; S609-K613 PolarHBondContact O-N 3.13Å
610C98.4Very high94.1Very high0 Ų051.3 Ų51.30%023%0.234CC..Hα-helixtrans-55.2-42.3175.4-176.50000112.5I364 L556 M606 L607 K613 L614I364-C610 HydrophobicContact CG1-CB 4.28Å; L556-C610 HydrophobicContact CD1-CB 4.1Å; L556-C610 HydrophobicContact CD2-CB 4.16Å; L556-C610 HydrophobicContact CG-CB 4.28Å; M606-C610 PolarHBondContact O-N 3.01Å; L607-C610 WeakPolarHBondContact O-CB 3.33Å; L607-C610 PolarHBondContact O-N 3.05Å; C610-K613 CarbonylContact O-C 3.59Å; C610-K613 WeakPolarHBondContact O-CB 3.49Å; C610-K613 PolarHBondContact O-N 3.43Å; C610-L614 WeakPolarHBondContact O-CG 3.42Å; C610-L614 PolarHBondContact O-N 2.94Å
611W98.3Very high94.5Very high111 Ų11145.8 Ų45.842%0.4222%0.216SC..Hα-helixtrans-66.6-36.6178.9-58.6158.7000113.5F577 M580 L607 H608 S609 K613 L614 L615F577-W611 HydrophobicContact CD2-CZ3 4.31Å; F577-W611 HydrophobicContact CE2-CZ3 4.19Å; M580-W611 HydrophobicContact CE-CH2 3.71Å; M580-W611 HydrophobicContact CE-CZ3 3.85Å; M580-W611 HydrophobicContact SD-CH2 3.48Å; M580-W611 WeakPolarHBondContact SD-CH2 3.45Å; M580-W611 HydrophobicContact SD-CZ2 4.34Å; M580-W611 HydrophobicContact SD-CZ3 4.17Å; L607-W611 HydrophobicContact CD2-CZ2 4.15Å; L607-W611 VanDerWaalsContact O-CD1 3.3Å; L607-W611 PolarHBondContact O-N 3.36Å; H608-W611 PolarHBondContact O-N 3.39Å; S609-W611 VanDerWaalsContact C-N 3.3Å; S609-W611 PolarHBondContact O-N 2.9Å; W611-K613 VanDerWaalsContact C-N 3.34Å; W611-L614 HydrophobicContact CE3-CD1 3.54Å; W611-L614 HydrophobicContact CE3-CG 4.32Å; W611-L614 HydrophobicContact CZ3-CD1 3.76Å; W611-L614 PolarHBondContact O-N 2.75Å; W611-L615 PolarHBondContact O-N 3.16Å
612L97.3Very high95.4Very high14 Ų1440.9 Ų40.97%0.07319%0.194CC..Hα-helixtrans-67.7-37.9172-66.8178.3000111.2I304 H307 K308 L311 H608 S609 L614 L615 E616I304-L612 HydrophobicContact CD1-CD1 4.38Å; I304-L612 HydrophobicContact CG2-CD1 4.03Å; H307-L612 HydrophobicContact CB-CD1 3.63Å; K308-L612 HydrophobicContact CB-CD1 4.47Å; K308-L612 HydrophobicContact CB-CD2 3.84Å; K308-L612 HydrophobicContact CG-CD2 4.27Å; L311-L612 HydrophobicContact CD1-CB 4.13Å; L311-L612 HydrophobicContact CD1-CD2 4.29Å; L311-L612 WeakPolarHBondContact CD1-O 3.5Å; H608-L612 WeakPolarHBondContact O-CG 3.46Å; H608-L612 PolarHBondContact O-N 3.21Å; S609-L612 PolarHBondContact O-N 3.49Å; S609-L612 VanDerWaalsContact O-N 3.15Å; L612-L614 PolarHBondContact O-N 2.74Å; L612-L615 WeakPolarHBondContact O-CB 3.21Å; L612-L615 PolarHBondContact O-N 3.19Å; L612-E616 PolarHBondContact O-N 3.47Å
613K98.2Very high96Very high2 Ų237.3 Ų37.31%0.00918%0.177CC..Hα-helixtrans-66.7-20.8173.3-64.1-51.1-65.7-1760114.9E362 I364 G366 Y560 S609 C610 W611 E616E362-K613 IonicContact OE1-NZ 3.29Å; E362-K613 WeakPolarHBondContact OE2-CD 3.41Å; E362-K613 WeakPolarHBondContact OE2-CE 3.38Å; E362-K613 IonicContact OE2-NZ 3.8Å; E362-K613 PolarHBondContact OE2-NZ 3.28Å; I364-K613 HydrophobicContact CB-CG 4.28Å; I364-K613 HydrophobicContact CG2-CG 4.28Å; I364-K613 WeakPolarHBondContact O-CD 3.48Å; I364-K613 VanDerWaalsContact O-CG 3.31Å; I364-K613 WeakPolarHBondContact O-CG 3.37Å; G366-K613 WeakPolarHBondContact O-CE 3.38Å; G366-K613 PolarHBondContact O-NZ 3Å; Y560-K613 HydrophobicContact CD2-CB 4.1Å; Y560-K613 HydrophobicContact CE1-CB 4.17Å; Y560-K613 HydrophobicContact CE1-CG 4.39Å; Y560-K613 HydrophobicContact CE2-CB 3.42Å; Y560-K613 VanDerWaalsContact CE2-CB 3.42Å; Y560-K613 HydrophobicContact CE2-CG 4.43Å; Y560-K613 VanDerWaalsContact CZ-CB 3.48Å; Y560-K613 WeakPolarHBondContact OH-CE 3.16Å; Y560-K613 PolarHBondContact OH-O 3.25Å; S609-K613 VanDerWaalsContact O-CG 3.28Å; S609-K613 WeakPolarHBondContact O-CG 3.45Å; S609-K613 PolarHBondContact O-N 3.13Å; C610-K613 CarbonylContact O-C 3.59Å; C610-K613 WeakPolarHBondContact O-CB 3.49Å; C610-K613 PolarHBondContact O-N 3.43Å; W611-K613 VanDerWaalsContact C-N 3.34Å; K613-E616 WeakPolarHBondContact CE-OE2 3.09Å; K613-E616 IonicContact NZ-OE1 3.51Å; K613-E616 IonicContact NZ-OE2 3.8Å; K613-E616 PolarHBondContact NZ-OE2 3.45Å
614L97.9Very high96.3Very high69 Ų6940.1 Ų40.136%0.36119%0.19SC..Hα-helixtrans-81.9-22.1169.6-65.5-177.7000113Y560 Q563 F577 C610 W611 L612Y560-L614 HydrophobicContact CD2-CD2 4.47Å; Y560-L614 HydrophobicContact CE2-CD2 4.46Å; Q563-L614 HydrophobicContact CG-CD2 3.83Å; F577-L614 HydrophobicContact CD2-CD1 4.23Å; F577-L614 HydrophobicContact CE2-CD1 3.86Å; F577-L614 HydrophobicContact CE2-CD2 3.8Å; F577-L614 HydrophobicContact CE2-CG 4.27Å; F577-L614 HydrophobicContact CZ-CD2 4.43Å; C610-L614 WeakPolarHBondContact O-CG 3.42Å; C610-L614 PolarHBondContact O-N 2.94Å; W611-L614 HydrophobicContact CE3-CD1 3.54Å; W611-L614 HydrophobicContact CE3-CG 4.32Å; W611-L614 HydrophobicContact CZ3-CD1 3.76Å; W611-L614 PolarHBondContact O-N 2.75Å; L612-L614 PolarHBondContact O-N 2.74Å
615L96.9Very high96.7Very high75 Ų7539.8 Ų39.839%0.39319%0.187SC..Hα-helixtrans-79.2-36.3175.2178.262.8000111.2L311 V312 R373 W611 L612L311-L615 HydrophobicContact CB-CD2 4.04Å; L311-L615 HydrophobicContact CD1-CB 4.22Å; L311-L615 HydrophobicContact CD1-CD2 4Å; L311-L615 HydrophobicContact CD1-CG 4.23Å; V312-L615 HydrophobicContact CG1-CD2 4.45Å; R373-L615 WeakPolarHBondContact CD-O 3.18Å; R373-L615 PolarHBondContact NH1-O 2.82Å; W611-L615 PolarHBondContact O-N 3.16Å; L612-L615 WeakPolarHBondContact O-CB 3.21Å; L612-L615 PolarHBondContact O-N 3.19Å
616E95.9Very high97.2Very high31 Ų3140 Ų4015%0.14519%0.188CC..  trans-53.20166.8-72.9-175.4-158.400111.5H307 L311 W357 H360 R373 L612 K613H307-E616 IonicContact CD2-OE1 3.55Å; H307-E616 IonicContact CE1-OE1 2.65Å; H307-E616 PolarHBondContact CE1-OE1 3.13Å; H307-E616 IonicContact NE2-OE1 3.7Å; H307-E616 PolarHBondContact NE2-OE1 2.73Å; L311-E616 HydrophobicContact CD1-CG 3.78Å; L311-E616 HydrophobicContact CD2-CG 3.53Å; L311-E616 HydrophobicContact CG-CG 4.31Å; W357-E616 WeakPolarHBondContact CH2-OE2 3.35Å; H360-E616 IonicContact ND1-OE1 3.38Å; R373-E616 WeakPolarHBondContact CD-O 3.07Å; L612-E616 PolarHBondContact O-N 3.47Å; K613-E616 WeakPolarHBondContact CE-OE2 3.09Å; K613-E616 IonicContact NZ-OE1 3.51Å; K613-E616 IonicContact NZ-OE2 3.8Å; K613-E616 PolarHBondContact NZ-OE2 3.45Å

Retrieved 616 of 616 residues in 591.3 ms (Link to these results)

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