A0A5K4F9C9_SCHMA Loading...

Secretory glycoprotein k5

AlphaFold DB (A0A5K4F9D4), UniProt , Accession A0A5K4F9C9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 300 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
1M35.2Very low31.1Very low187 Ų18797.5 Ų97.592%0.92149%0.491SS*.  0-70.90-82.6-158.4-7200112.3
2L26.7Very low31.5Very low104 Ų10490.6 Ų90.655%0.54546%0.458SS..Hα-helixtrans-76-28.3179.5-116.995.7000114.7Y5 N6L2-Y5 WeakPolarHBondContact O-CB 2.86Å; L2-Y5 PolarHBondContact O-N 3.22Å; L2-N6 PolarHBondContact O-N 3.35Å
3Q27.6Very low31.9Very low161 Ų16183.8 Ų83.875%0.75242%0.424SS*.Hα-helixtrans-71-35.5-177.3-92.2175.8-26.600113.8N6 L7Q3-N6 WeakPolarHBondContact O-CB 3.11Å; Q3-N6 PolarHBondContact O-N 3.36Å; Q3-L7 PolarHBondContact O-N 3.41Å
4E29.3Very low32Very low150 Ų15084.1 Ų84.170%0.70143%0.427SS*.Hα-helixtrans-72.9-36.5174.4-69.5162.3149.900110.8N6 L7 L8E4-N6 VanDerWaalsContact C-N 3.33Å; E4-N6 PolarHBondContact O-N 2.99Å; E4-L7 PolarHBondContact O-N 3.38Å; E4-L8 PolarHBondContact O-N 3.32Å
5Y33.2Very low32.2Very low88 Ų8879.6 Ų79.635%0.34540%0.404SS..Hα-helixtrans-58.4-43.2167.8-135-116.3000110.9L2 L7 L8 I9 F224L2-Y5 WeakPolarHBondContact O-CB 2.86Å; L2-Y5 PolarHBondContact O-N 3.22Å; Y5-L7 PolarHBondContact O-N 3.02Å; Y5-L8 PolarHBondContact O-N 3.14Å; Y5-I9 HydrophobicContact CD1-CD1 3.1Å; Y5-I9 HydrophobicContact CD1-CG1 4.19Å; Y5-I9 HydrophobicContact CE1-CD1 3.4Å; Y5-I9 VanDerWaalsContact CE1-CD1 3.4Å; Y5-I9 HydrophobicContact CE1-CG1 4.45Å; Y5-I9 HydrophobicContact CG-CD1 3.91Å; Y5-I9 WeakPolarHBondContact O-CA 3.47Å; Y5-I9 WeakPolarHBondContact O-CB 3.31Å; Y5-I9 WeakPolarHBondContact O-CG1 3.4Å; Y5-I9 PolarHBondContact O-N 3.2Å; Y5-F224 HydrophobicContact CE2-CD1 4.46Å; Y5-F224 HydrophobicContact CE2-CE1 4.23Å
6N30.1Very low32.5Very low78 Ų7876.4 Ų76.442%0.41739%0.388SS..Hα-helixtrans-62.5-36176.6-91.5-13000113L2 Q3 E4 N10L2-N6 PolarHBondContact O-N 3.35Å; Q3-N6 WeakPolarHBondContact O-CB 3.11Å; Q3-N6 PolarHBondContact O-N 3.36Å; E4-N6 VanDerWaalsContact C-N 3.33Å; E4-N6 PolarHBondContact O-N 2.99Å; N6-N10 WeakPolarHBondContact O-CA 3.38Å; N6-N10 WeakPolarHBondContact O-CB 3.37Å; N6-N10 PolarHBondContact O-N 2.93Å; N6-N10 PolarHBondContact O-ND2 3.47Å; N6-N10 PolarHBondContact O-OD1 2.93Å
7L28.3Very low32.5Very low134 Ų13472.2 Ų72.270%0.70237%0.367SS*.Hα-helixtrans-76.4-39.8-179.9-77.9164000112.4Q3 E4 Y5 G11Q3-L7 PolarHBondContact O-N 3.41Å; E4-L7 PolarHBondContact O-N 3.38Å; Y5-L7 PolarHBondContact O-N 3.02Å; L7-G11 PolarHBondContact O-N 3.4Å
8L32.6Very low32.3Very low48 Ų4869.8 Ų69.825%0.25136%0.355SS..Hα-helixtrans-69.2-45175.3-155.784.8000110.8E4 Y5 G11 V12 T220 N247 F250E4-L8 PolarHBondContact O-N 3.32Å; Y5-L8 PolarHBondContact O-N 3.14Å; L8-G11 PolarHBondContact O-N 3.32Å; L8-V12 VanDerWaalsContact O-CG2 3.25Å; L8-V12 WeakPolarHBondContact O-CG2 3.32Å; L8-V12 PolarHBondContact O-N 3.41Å; L8-T220 HydrophobicContact CD2-CG2 4.36Å; L8-N247 WeakPolarHBondContact CD1-OD1 3.38Å; L8-F250 HydrophobicContact CD1-CD1 4.19Å; L8-F250 HydrophobicContact CD1-CE1 4.25Å; L8-F250 HydrophobicContact CD2-CE1 4.4Å; L8-F250 HydrophobicContact CG-CE1 4.16Å
9I36.1Very low32.3Very low37 Ų3767.2 Ų67.219%0.1934%0.344CS..Hα-helixtrans-64-47.3173.6-70.4172.4000110.2Y5 G11 V12 T13Y5-I9 HydrophobicContact CD1-CD1 3.1Å; Y5-I9 HydrophobicContact CD1-CG1 4.19Å; Y5-I9 HydrophobicContact CE1-CD1 3.4Å; Y5-I9 VanDerWaalsContact CE1-CD1 3.4Å; Y5-I9 HydrophobicContact CE1-CG1 4.45Å; Y5-I9 HydrophobicContact CG-CD1 3.91Å; Y5-I9 WeakPolarHBondContact O-CA 3.47Å; Y5-I9 WeakPolarHBondContact O-CB 3.31Å; Y5-I9 WeakPolarHBondContact O-CG1 3.4Å; Y5-I9 PolarHBondContact O-N 3.2Å; I9-G11 VanDerWaalsContact C-N 3.26Å; I9-G11 PolarHBondContact O-N 3.2Å; I9-V12 PolarHBondContact O-N 2.98Å; I9-T13 WeakPolarHBondContact CG2-OG1 3.42Å; I9-T13 WeakPolarHBondContact O-CA 3.33Å; I9-T13 WeakPolarHBondContact O-CB 3.49Å; I9-T13 PolarHBondContact O-N 2.91Å; I9-T13 PolarHBondContact O-OG1 2.89Å
10N33.1Very low32.3Very low60 Ų6064.5 Ų64.532%0.32133%0.333SS..Hα-helixtrans-64.1-34.1176.9-69.3-20.9000110.9N6 L14 L157N6-N10 WeakPolarHBondContact O-CA 3.38Å; N6-N10 WeakPolarHBondContact O-CB 3.37Å; N6-N10 PolarHBondContact O-N 2.93Å; N6-N10 PolarHBondContact O-ND2 3.47Å; N6-N10 PolarHBondContact O-OD1 2.93Å; N10-L14 WeakPolarHBondContact O-CA 3.28Å; N10-L14 WeakPolarHBondContact O-CB 3.36Å; N10-L14 PolarHBondContact O-N 2.74Å; N10-L157 WeakPolarHBondContact OD1-CD1 3.2Å
11G29.8Very low32.2Very low25 Ų2561.5 Ų61.526%0.25832%0.318SS..Hα-helixtrans-62.7-50.2174.200000111.9L7 L8 I9 L15L7-G11 PolarHBondContact O-N 3.4Å; L8-G11 PolarHBondContact O-N 3.32Å; I9-G11 VanDerWaalsContact C-N 3.26Å; I9-G11 PolarHBondContact O-N 3.2Å; G11-L15 WeakPolarHBondContact O-CB 3.32Å; G11-L15 WeakPolarHBondContact O-CD1 3.27Å; G11-L15 WeakPolarHBondContact O-CG 3.47Å; G11-L15 PolarHBondContact O-N 3.02Å
12V36.1Very low31.8Very low15 Ų1555.8 Ų55.89%0.09129%0.29CS..Hα-helixtrans-69.2-37.5177.3177.10000112.1L8 I9 L15 I16 F250 L254L8-V12 VanDerWaalsContact O-CG2 3.25Å; L8-V12 WeakPolarHBondContact O-CG2 3.32Å; L8-V12 PolarHBondContact O-N 3.41Å; I9-V12 PolarHBondContact O-N 2.98Å; V12-L15 PolarHBondContact O-N 3.39Å; V12-I16 HydrophobicContact CG1-CD1 3.46Å; V12-I16 VanDerWaalsContact CG1-CD1 3.46Å; V12-I16 HydrophobicContact CG1-CG1 4.09Å; V12-I16 WeakPolarHBondContact O-CB 3.47Å; V12-I16 WeakPolarHBondContact O-CG1 3.35Å; V12-I16 PolarHBondContact O-N 2.95Å; V12-F250 HydrophobicContact CG2-CE1 3.51Å; V12-F250 HydrophobicContact CG2-CZ 3.27Å; V12-L254 HydrophobicContact CG2-CD1 4.18Å; V12-L254 HydrophobicContact CG2-CD2 4.42Å
13T36.9Very low31.8Very low2 Ų252.1 Ų52.11%0.01227%0.273CS..Hα-helixtrans-69.3-50.1178.3-56.80000109.9I9 L15 S17 Y154 L157I9-T13 WeakPolarHBondContact CG2-OG1 3.42Å; I9-T13 WeakPolarHBondContact O-CA 3.33Å; I9-T13 WeakPolarHBondContact O-CB 3.49Å; I9-T13 PolarHBondContact O-N 2.91Å; I9-T13 PolarHBondContact O-OG1 2.89Å; T13-L15 VanDerWaalsContact C-N 3.28Å; T13-L15 PolarHBondContact O-N 3.29Å; T13-S17 WeakPolarHBondContact O-CB 3.34Å; T13-S17 PolarHBondContact O-N 3.38Å; T13-S17 PolarHBondContact O-OG 3.34Å; T13-Y154 HydrophobicContact CG2-CD2 3.61Å; T13-Y154 HydrophobicContact CG2-CE2 3.58Å; T13-Y154 HydrophobicContact CG2-CG 4.36Å; T13-Y154 WeakPolarHBondContact OG1-CD2 3.27Å; T13-Y154 WeakPolarHBondContact OG1-CE2 3.28Å; T13-L157 HydrophobicContact CG2-CB 3.59Å; T13-L157 HydrophobicContact CG2-CD1 4.29Å
14L32.7Very low31.6Very low89 Ų8949.6 Ų49.647%0.46626%0.261SS..Hα-helixtrans-59.8-44174.9-155.892.9000108.7N10 S17 L18 A161N10-L14 WeakPolarHBondContact O-CA 3.28Å; N10-L14 WeakPolarHBondContact O-CB 3.36Å; N10-L14 PolarHBondContact O-N 2.74Å; L14-S17 PolarHBondContact O-N 3.32Å; L14-L18 HydrophobicContact CB-CD1 4.41Å; L14-L18 HydrophobicContact CD2-CD1 3.79Å; L14-L18 HydrophobicContact CG-CD1 3.8Å; L14-L18 HydrophobicContact CG-CG 4.36Å; L14-L18 WeakPolarHBondContact O-CA 3.38Å; L14-L18 WeakPolarHBondContact O-CB 3.26Å; L14-L18 VanDerWaalsContact O-CD1 3.23Å; L14-L18 WeakPolarHBondContact O-CD1 3.2Å; L14-L18 WeakPolarHBondContact O-CG 3.41Å; L14-L18 PolarHBondContact O-N 2.76Å; L14-A161 HydrophobicContact CD1-CB 4.33Å
15L35.8Very low31.4Very low16 Ų1644 Ų448%0.08424%0.241CC..Hα-helixtrans-74.6-35-177.4-71.7167.4000115G11 V12 T13 S17 L18 S19 L254 K258G11-L15 WeakPolarHBondContact O-CB 3.32Å; G11-L15 WeakPolarHBondContact O-CD1 3.27Å; G11-L15 WeakPolarHBondContact O-CG 3.47Å; G11-L15 PolarHBondContact O-N 3.02Å; V12-L15 PolarHBondContact O-N 3.39Å; T13-L15 VanDerWaalsContact C-N 3.28Å; T13-L15 PolarHBondContact O-N 3.29Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-L18 HydrophobicContact CD2-CD1 4.17Å; L15-L18 CarbonylContact O-C 3.59Å; L15-S19 WeakPolarHBondContact O-CA 3.48Å; L15-S19 WeakPolarHBondContact O-CB 3.48Å; L15-S19 PolarHBondContact O-N 3.4Å; L15-L254 HydrophobicContact CD1-CB 3.79Å; L15-L254 HydrophobicContact CD1-CD1 4.3Å; L15-L254 HydrophobicContact CD1-CD2 3.8Å; L15-L254 HydrophobicContact CD1-CG 4.18Å; L15-K258 HydrophobicContact CD2-CB 3.45Å; L15-K258 VanDerWaalsContact CD2-CB 3.45Å; L15-K258 HydrophobicContact CD2-CD 4.07Å; L15-K258 HydrophobicContact CD2-CG 3.57Å
16I36.3Very low31.1Very low29 Ų2941.4 Ų41.415%0.14923%0.232CC..Hα-helixtrans-69.7-36.3173.8-73175.1000110V12 S19 Y44V12-I16 HydrophobicContact CG1-CD1 3.46Å; V12-I16 VanDerWaalsContact CG1-CD1 3.46Å; V12-I16 HydrophobicContact CG1-CG1 4.09Å; V12-I16 WeakPolarHBondContact O-CB 3.47Å; V12-I16 WeakPolarHBondContact O-CG1 3.35Å; V12-I16 PolarHBondContact O-N 2.95Å; I16-S19 VanDerWaalsContact C-OG 3.28Å; I16-S19 VanDerWaalsContact CA-OG 3.23Å; I16-S19 WeakPolarHBondContact CA-OG 3.45Å; I16-S19 WeakPolarHBondContact O-CB 3.37Å; I16-S19 PolarHBondContact O-N 3.1Å; I16-S19 PolarHBondContact O-OG 3.16Å; I16-Y44 HydrophobicContact CG2-CD2 3.48Å; I16-Y44 VanDerWaalsContact CG2-CD2 3.48Å; I16-Y44 HydrophobicContact CG2-CE2 3.86Å
17S33Very low31.3Very low4 Ų440.7 Ų40.73%0.02823%0.233CC..Hα-helixtrans-78.2-29.3177.9-49.20000112.6T13 L14 L15 S19 K158T13-S17 WeakPolarHBondContact O-CB 3.34Å; T13-S17 PolarHBondContact O-N 3.38Å; T13-S17 PolarHBondContact O-OG 3.34Å; L14-S17 PolarHBondContact O-N 3.32Å; L15-S17 VanDerWaalsContact C-N 3.32Å; S17-S19 VanDerWaalsContact C-N 3.29Å; S17-K158 WeakPolarHBondContact OG-CA 3.5Å; S17-K158 WeakPolarHBondContact OG-CB 3.43Å; S17-K158 VanDerWaalsContact OG-CG 3.23Å; S17-K158 WeakPolarHBondContact OG-CG 3.46Å
18L29.4Very low31.7Very low30 Ų3036.1 Ų36.116%0.15721%0.211CC..Hα-helixtrans-75.7-16.6163.4-66.2161000110.8L14 L15 G20 L21 L165 V261L14-L18 HydrophobicContact CB-CD1 4.41Å; L14-L18 HydrophobicContact CD2-CD1 3.79Å; L14-L18 HydrophobicContact CG-CD1 3.8Å; L14-L18 HydrophobicContact CG-CG 4.36Å; L14-L18 WeakPolarHBondContact O-CA 3.38Å; L14-L18 WeakPolarHBondContact O-CB 3.26Å; L14-L18 VanDerWaalsContact O-CD1 3.23Å; L14-L18 WeakPolarHBondContact O-CD1 3.2Å; L14-L18 WeakPolarHBondContact O-CG 3.41Å; L14-L18 PolarHBondContact O-N 2.76Å; L15-L18 HydrophobicContact CD2-CD1 4.17Å; L15-L18 CarbonylContact O-C 3.59Å; L18-G20 VanDerWaalsContact C-N 3.3Å; L18-G20 PolarHBondContact O-N 3.39Å; L18-L21 HydrophobicContact CB-CD1 4.46Å; L18-L21 VanDerWaalsContact O-CB 3.24Å; L18-L21 WeakPolarHBondContact O-CB 3.34Å; L18-L21 WeakPolarHBondContact O-CD1 3.37Å; L18-L21 WeakPolarHBondContact O-CG 3.42Å; L18-L165 HydrophobicContact CB-CD1 4.42Å; L18-L165 HydrophobicContact CD2-CD1 3.41Å; L18-L165 VanDerWaalsContact CD2-CD1 3.41Å; L18-L165 HydrophobicContact CD2-CD2 3.67Å; L18-L165 HydrophobicContact CD2-CG 3.81Å; L18-L165 HydrophobicContact CG-CD1 4.26Å; L18-V261 HydrophobicContact CB-CG1 4.15Å; L18-V261 WeakPolarHBondContact O-CG1 3.5Å
19S31.7Very low31.9Very low20 Ų2037.8 Ų37.814%0.1422%0.224CC..  trans-85-0.9-178.773.70000114L15 I16 S17 L21L15-S19 WeakPolarHBondContact O-CA 3.48Å; L15-S19 WeakPolarHBondContact O-CB 3.48Å; L15-S19 PolarHBondContact O-N 3.4Å; I16-S19 VanDerWaalsContact C-OG 3.28Å; I16-S19 VanDerWaalsContact CA-OG 3.23Å; I16-S19 WeakPolarHBondContact CA-OG 3.45Å; I16-S19 WeakPolarHBondContact O-CB 3.37Å; I16-S19 PolarHBondContact O-N 3.1Å; I16-S19 PolarHBondContact O-OG 3.16Å; S17-S19 VanDerWaalsContact C-N 3.29Å; S19-L21 PolarHBondContact O-N 2.87Å
20G32Very low32.1Very low12 Ų1241.8 Ų41.812%0.12425%0.245CC..SBendtrans-70.829.3168.400000113.6L18 R162L18-G20 VanDerWaalsContact C-N 3.3Å; L18-G20 PolarHBondContact O-N 3.39Å; G20-R162 PolarHBondContact O-NH1 2.54Å
21L29.6Very low32.2Very low3 Ų345 Ų452%0.01626%0.263CS..  trans-131.7112.8-159.4-66.3-177.6000110.3L18 S19 L165 V261 L264 E265L18-L21 HydrophobicContact CB-CD1 4.46Å; L18-L21 VanDerWaalsContact O-CB 3.24Å; L18-L21 WeakPolarHBondContact O-CB 3.34Å; L18-L21 WeakPolarHBondContact O-CD1 3.37Å; L18-L21 WeakPolarHBondContact O-CG 3.42Å; S19-L21 PolarHBondContact O-N 2.87Å; L21-L165 HydrophobicContact CD1-CD1 3.27Å; L21-L165 HydrophobicContact CD1-CD2 3.91Å; L21-L165 HydrophobicContact CD1-CG 4.07Å; L21-L165 HydrophobicContact CD2-CD1 4.15Å; L21-L165 HydrophobicContact CG-CD1 4.17Å; L21-V261 HydrophobicContact CB-CG1 4.33Å; L21-V261 HydrophobicContact CD1-CG1 4.25Å; L21-L264 WeakPolarHBondContact O-CB 3.12Å; L21-L264 WeakPolarHBondContact O-CD1 3.08Å; L21-E265 WeakPolarHBondContact CA-OE1 3.38Å; L21-E265 VanDerWaalsContact CB-CD 3.46Å; L21-E265 HydrophobicContact CB-CG 3.61Å; L21-E265 WeakPolarHBondContact CB-OE1 3.49Å; L21-E265 HydrophobicContact CD1-CG 3.11Å; L21-E265 HydrophobicContact CD2-CG 4.2Å; L21-E265 WeakPolarHBondContact CD2-OE1 3.27Å; L21-E265 HydrophobicContact CG-CG 3.71Å; L21-E265 WeakPolarHBondContact CG-OE1 3.22Å
22I28.2Very low32.4Very low66 Ų6648.3 Ų48.334%0.33827%0.271SS..  trans-73137.6-161.1-69.9165.4000113L264 R268I22-L264 CarbonylContact O-C 3.57Å; I22-L264 WeakPolarHBondContact O-CA 3.07Å; I22-L264 VanDerWaalsContact O-CB 3.31Å; I22-L264 WeakPolarHBondContact O-CB 3.11Å; I22-R268 HydrophobicContact CB-CB 3.99Å; I22-R268 HydrophobicContact CB-CG 4.02Å; I22-R268 HydrophobicContact CD1-CG 4.34Å; I22-R268 HydrophobicContact CG2-CB 4.47Å
23C25.2Very low32.4Very low28 Ų2849 Ų4919%0.18927%0.273CS..  trans-66.8154171.2-910000115.1A202 L264C23-A202 HydrophobicContact CB-CB 4.14Å; C23-L264 HydrophobicContact CB-CD1 4.18Å; C23-L264 HydrophobicContact CB-CD2 3.99Å; C23-L264 HydrophobicContact CB-CG 4.46Å; C23-L264 WeakPolarHBondContact SG-CD1 3.27Å; C23-L264 WeakPolarHBondContact SG-CD2 3.47Å
24E23.7Very low32.3Very low107 Ų10752.2 Ų52.250%0.529%0.289SS..SBendtrans-17.6133.9147.3-128.9148.6-129.300116.2N267E24-N267 VanDerWaalsContact CA-CB 3.48Å; E24-N267 HydrophobicContact CB-CB 4.06Å; E24-N267 WeakPolarHBondContact CB-ND2 3.42Å; E24-N267 HydrophobicContact CG-CB 4.13Å; E24-N267 WeakPolarHBondContact CG-ND2 3.18Å; E24-N267 WeakPolarHBondContact CG-OD1 3.43Å; E24-N267 VanDerWaalsContact OE1-CG 3.29Å; E24-N267 PolarHBondContact OE1-ND2 3.31Å; E24-N267 PolarHBondContact OE1-OD1 3.49Å
25A24.7Very low32.2Very low34 Ų3450.7 Ų50.728%0.28129%0.289SS..SBendtrans83.796.6163.700000118.5
26Q28.3Very low32.1Very low33 Ų3351.8 Ų51.815%0.15430%0.296CS..  trans40.2117.1144.6-63.8-168.2-7.400122.5Y192 K195Q26-Y192 VanDerWaalsContact NE2-CG 3.31Å; Q26-Y192 PolarHBondContact NE2-O 3.32Å; Q26-Y192 PolarHBondContact OE1-O 2.67Å; Q26-K195 HydrophobicContact CB-CG 4.13Å
27S34.9Very low32Very low63 Ų6350.9 Ų50.944%0.44129%0.291SS..  trans3793.4148.1-147.40000117.4
28P35Very low32Very low38 Ų3851 Ų5125%0.24729%0.292CS..  trans-65.4153.1154.630-35.2000110.8E32 M33P28-E32 HydrophobicContact CB-CB 3.6Å; P28-M33 HydrophobicContact CB-CB 3.99Å; P28-M33 VanDerWaalsContact CB-N 3.29Å; P28-M33 HydrophobicContact CG-CB 3.53Å; P28-M33 HydrophobicContact CG-CG 3.85Å
29T38.1Very low32Very low83 Ų8353.2 Ų53.251%0.50930%0.302SS..  trans-63.5155.5150.653.60000108.8D31 E32 M33T29-D31 PolarHBondContact O-N 3.48Å; T29-E32 PolarHBondContact N-OE2 2.82Å; T29-E32 PolarHBondContact O-N 2.99Å; T29-E32 VanDerWaalsContact OG1-CD 3.28Å; T29-E32 WeakPolarHBondContact OG1-CG 3.47Å; T29-E32 PolarHBondContact OG1-OE2 3.42Å; T29-M33 PolarHBondContact O-N 3.36Å; T29-M33 VanDerWaalsContact O-N 3.16Å
30N39.5Very low32.1Very low120 Ų12054.3 Ų54.364%0.64230%0.303SS*.Hα-helixtrans-46.6-41.6-178.6-782.7000112E32 M33 H34N30-E32 VanDerWaalsContact C-N 3.35Å; N30-E32 PolarHBondContact O-N 3.42Å; N30-M33 PolarHBondContact O-N 2.81Å; N30-H34 WeakPolarHBondContact O-CB 3.43Å; N30-H34 PolarHBondContact O-CD2 3.09Å; N30-H34 PolarHBondContact O-N 2.85Å
31D34.5Very low32.1Very low129 Ų12953.8 Ų53.869%0.6930%0.297SS*.Hα-helixtrans-62.8-33.5179.3-59.9-19.8000114.2T29 A35T29-D31 PolarHBondContact O-N 3.48Å; D31-A35 PolarHBondContact O-N 3.13Å
32E35.8Very low32.2Very low93 Ų9358.3 Ų58.344%0.43531%0.314SS..Hα-helixtrans-83-28.8-179.6-69.2165.3147.100112.5P28 T29 N30 H34 T36P28-E32 HydrophobicContact CB-CB 3.6Å; T29-E32 PolarHBondContact N-OE2 2.82Å; T29-E32 PolarHBondContact O-N 2.99Å; T29-E32 VanDerWaalsContact OG1-CD 3.28Å; T29-E32 WeakPolarHBondContact OG1-CG 3.47Å; T29-E32 PolarHBondContact OG1-OE2 3.42Å; N30-E32 VanDerWaalsContact C-N 3.35Å; N30-E32 PolarHBondContact O-N 3.42Å; E32-H34 VanDerWaalsContact C-N 3.35Å; E32-T36 WeakPolarHBondContact O-CB 3.32Å; E32-T36 PolarHBondContact O-N 2.89Å; E32-T36 PolarHBondContact O-OG1 3.17Å
33M34.3Very low32.6Very low29 Ų2956.5 Ų56.514%0.14331%0.305CS..Hα-helixtrans-64.8-49169.1-157.9177.18600107.9P28 T29 N30 A35 T36 I37 D286P28-M33 HydrophobicContact CB-CB 3.99Å; P28-M33 VanDerWaalsContact CB-N 3.29Å; P28-M33 HydrophobicContact CG-CB 3.53Å; P28-M33 HydrophobicContact CG-CG 3.85Å; T29-M33 PolarHBondContact O-N 3.36Å; T29-M33 VanDerWaalsContact O-N 3.16Å; N30-M33 PolarHBondContact O-N 2.81Å; M33-A35 VanDerWaalsContact C-N 3.34Å; M33-A35 PolarHBondContact O-N 3.32Å; M33-T36 PolarHBondContact O-N 3.22Å; M33-I37 HydrophobicContact CE-CD1 4.13Å; M33-I37 HydrophobicContact CG-CD1 3.78Å; M33-I37 WeakPolarHBondContact O-CD1 3.23Å; M33-I37 PolarHBondContact O-N 3.38Å; M33-D286 HydrophobicContact CE-CB 3.39Å
34H35.5Very low33.4Very low71 Ų7155.9 Ų55.933%0.32930%0.299SS..Hα-helixtrans-57.3-43.1177.5-70.5-42.7000112.5N30 E32 T36 S38 E290N30-H34 WeakPolarHBondContact O-CB 3.43Å; N30-H34 PolarHBondContact O-CD2 3.09Å; N30-H34 PolarHBondContact O-N 2.85Å; E32-H34 VanDerWaalsContact C-N 3.35Å; H34-T36 VanDerWaalsContact C-N 3.31Å; H34-T36 PolarHBondContact O-N 3.41Å; H34-S38 WeakPolarHBondContact O-CB 3.38Å; H34-S38 PolarHBondContact O-N 2.87Å; H34-E290 WeakPolarHBondContact CA-OE1 3.46Å; H34-E290 WeakPolarHBondContact CA-OE2 3.23Å; H34-E290 IonicContact CE1-OE1 3.55Å; H34-E290 IonicContact CG-OE1 3.7Å; H34-E290 IonicContact ND1-OE1 3.52Å; H34-E290 PolarHBondContact ND1-OE1 3.12Å; H34-E290 IonicContact ND1-OE2 3.66Å
35A30Very low34Very low57 Ų5751 Ų5147%0.47128%0.276SS..Hα-helixtrans-67.6-30177.400000113.7D31 M33 S38 E39D31-A35 PolarHBondContact O-N 3.13Å; M33-A35 VanDerWaalsContact C-N 3.34Å; M33-A35 PolarHBondContact O-N 3.32Å; A35-S38 WeakPolarHBondContact O-CB 3.27Å; A35-E39 PolarHBondContact O-N 3.37Å
36T34Very low34.5Very low38 Ų3850.8 Ų50.823%0.23327%0.272CS..Hα-helixtrans-77.8-51.7-177.1-60.90000111.1E32 M33 H34 S38 E39 Y40 Q203E32-T36 WeakPolarHBondContact O-CB 3.32Å; E32-T36 PolarHBondContact O-N 2.89Å; E32-T36 PolarHBondContact O-OG1 3.17Å; M33-T36 PolarHBondContact O-N 3.22Å; H34-T36 VanDerWaalsContact C-N 3.31Å; H34-T36 PolarHBondContact O-N 3.41Å; T36-S38 PolarHBondContact O-N 3.47Å; T36-E39 PolarHBondContact O-N 2.96Å; T36-Y40 HydrophobicContact CG2-CD2 4.15Å; T36-Y40 HydrophobicContact CG2-CE2 3.65Å; T36-Y40 WeakPolarHBondContact O-CD2 3.42Å; T36-Y40 PolarHBondContact O-N 3.46Å; T36-Q203 PolarHBondContact OG1-NE2 3.06Å
37I34.5Very low35.1Very low10 Ų1049.9 Ų49.95%0.05127%0.268CS..Hα-helixtrans-69.9-27.5177.2-43.1130.6000110.5M33 E39 Y40 G41 A287 E290 E291M33-I37 HydrophobicContact CE-CD1 4.13Å; M33-I37 HydrophobicContact CG-CD1 3.78Å; M33-I37 WeakPolarHBondContact O-CD1 3.23Å; M33-I37 PolarHBondContact O-N 3.38Å; I37-E39 PolarHBondContact O-N 3.34Å; I37-Y40 WeakPolarHBondContact O-CA 3.45Å; I37-Y40 WeakPolarHBondContact O-CB 3.31Å; I37-Y40 PolarHBondContact O-N 2.9Å; I37-G41 PolarHBondContact O-N 3.17Å; I37-A287 HydrophobicContact CD1-CB 3.97Å; I37-A287 HydrophobicContact CG1-CB 4.24Å; I37-A287 VanDerWaalsContact CG2-O 3.27Å; I37-A287 WeakPolarHBondContact CG2-O 3.49Å; I37-E290 HydrophobicContact CB-CB 3.5Å; I37-E290 VanDerWaalsContact CB-CB 3.5Å; I37-E290 HydrophobicContact CB-CG 4.24Å; I37-E290 WeakPolarHBondContact CB-OE2 3.26Å; I37-E290 HydrophobicContact CD1-CB 4.35Å; I37-E290 VanDerWaalsContact CD1-CD 3.41Å; I37-E290 HydrophobicContact CD1-CG 4.37Å; I37-E290 WeakPolarHBondContact CD1-OE1 3.39Å; I37-E290 HydrophobicContact CG1-CB 4.49Å; I37-E290 HydrophobicContact CG2-CB 3.26Å; I37-E290 HydrophobicContact CG2-CG 4.43Å; I37-E291 HydrophobicContact CG2-CG 4.01Å
38S31.9Very low35.6Very low7 Ų747 Ų475%0.04925%0.248CC..Hα-helixtrans-47.6-59.9165.2-178.30000113.5H34 A35 T36 Y40 G41 R42 E290 H294H34-S38 WeakPolarHBondContact O-CB 3.38Å; H34-S38 PolarHBondContact O-N 2.87Å; A35-S38 WeakPolarHBondContact O-CB 3.27Å; T36-S38 PolarHBondContact O-N 3.47Å; S38-Y40 PolarHBondContact O-N 2.93Å; S38-G41 PolarHBondContact O-N 3.5Å; S38-R42 WeakPolarHBondContact O-CB 3.3Å; S38-R42 WeakPolarHBondContact O-CG 3.45Å; S38-R42 PolarHBondContact O-N 3Å; S38-E290 PolarHBondContact N-OE2 3.02Å; S38-H294 VanDerWaalsContact CA-CB 3.48Å; S38-H294 WeakPolarHBondContact CB-CD2 3.37Å; S38-H294 VanDerWaalsContact CB-CG 3.43Å; S38-H294 VanDerWaalsContact CB-NE2 3.3Å; S38-H294 WeakPolarHBondContact CB-NE2 3.42Å; S38-H294 PolarHBondContact OG-CD2 3.43Å; S38-H294 PolarHBondContact OG-NE2 3.14Å
39E30.6Very low36Very low76 Ų7646.5 Ų46.536%0.35524%0.242SC..Hα-helixtrans-63.7-20.7178.6-76.3-63.9160.400113.4A35 T36 I37 R42 L43 R210A35-E39 PolarHBondContact O-N 3.37Å; T36-E39 PolarHBondContact O-N 2.96Å; I37-E39 PolarHBondContact O-N 3.34Å; E39-R42 WeakPolarHBondContact O-CB 3.09Å; E39-R42 WeakPolarHBondContact OE1-CD 3.44Å; E39-R42 IonicContact OE1-CZ 2.93Å; E39-R42 IonicContact OE1-NE 2.87Å; E39-R42 IonicContact OE1-NH1 2.88Å; E39-R42 PolarHBondContact OE1-NH1 3.09Å; E39-L43 PolarHBondContact O-N 3.33Å; E39-R210 PolarHBondContact O-NH1 3.21Å
40Y33.9Very low36.3Very low44 Ų4444.2 Ų44.217%0.17323%0.226CC..Hα-helixtrans-73-53.7169.5-73.2-69.9000113.6T36 I37 S38 R42 L43 Y44 M206 R210T36-Y40 HydrophobicContact CG2-CD2 4.15Å; T36-Y40 HydrophobicContact CG2-CE2 3.65Å; T36-Y40 WeakPolarHBondContact O-CD2 3.42Å; T36-Y40 PolarHBondContact O-N 3.46Å; I37-Y40 WeakPolarHBondContact O-CA 3.45Å; I37-Y40 WeakPolarHBondContact O-CB 3.31Å; I37-Y40 PolarHBondContact O-N 2.9Å; S38-Y40 PolarHBondContact O-N 2.93Å; Y40-R42 PolarHBondContact O-N 2.94Å; Y40-R42 VanDerWaalsContact O-N 3.16Å; Y40-L43 PolarHBondContact O-N 3.34Å; Y40-Y44 WeakPolarHBondContact O-CB 3.5Å; Y40-Y44 PolarHBondContact O-N 3Å; Y40-Y44 VanDerWaalsContact O-N 3.1Å; Y40-M206 HydrophobicContact CE1-CE 3.94Å; Y40-M206 WeakPolarHBondContact OH-CE 2.96Å; Y40-M206 PolarHBondContact OH-SD 3.17Å; Y40-R210 VanDerWaalsContact CA-NH1 3.35Å; Y40-R210 PolarHBondContact O-NH2 2.86Å
41G32.2Very low36.7Very low0 Ų041.2 Ų41.20%021%0.208CC..Hα-helixtrans-52-36168.500000110.6I37 S38 I45I37-G41 PolarHBondContact O-N 3.17Å; S38-G41 PolarHBondContact O-N 3.5Å; G41-I45 WeakPolarHBondContact O-CB 3.33Å; G41-I45 WeakPolarHBondContact O-CD1 3.21Å; G41-I45 VanDerWaalsContact O-CG1 3.25Å; G41-I45 WeakPolarHBondContact O-CG1 3.4Å; G41-I45 PolarHBondContact O-N 3.06Å
42R31.4Very low37.4Very low99 Ų9935.2 Ų35.237%0.37418%0.176SC..Hα-helixtrans-53.8-65.3177.6-67.7-141.7179.5150.4-5.8113.1S38 E39 Y40 Y44 I45 T46 K295S38-R42 WeakPolarHBondContact O-CB 3.3Å; S38-R42 WeakPolarHBondContact O-CG 3.45Å; S38-R42 PolarHBondContact O-N 3Å; E39-R42 WeakPolarHBondContact O-CB 3.09Å; E39-R42 WeakPolarHBondContact OE1-CD 3.44Å; E39-R42 IonicContact OE1-CZ 2.93Å; E39-R42 IonicContact OE1-NE 2.87Å; E39-R42 IonicContact OE1-NH1 2.88Å; E39-R42 PolarHBondContact OE1-NH1 3.09Å; Y40-R42 PolarHBondContact O-N 2.94Å; Y40-R42 VanDerWaalsContact O-N 3.16Å; R42-Y44 VanDerWaalsContact C-N 3.33Å; R42-Y44 PolarHBondContact O-N 3.19Å; R42-I45 PolarHBondContact O-N 2.96Å; R42-T46 PolarHBondContact O-N 2.99Å; R42-T46 VanDerWaalsContact O-N 3.12Å; R42-T46 PolarHBondContact O-OG1 3.22Å; R42-T46 VanDerWaalsContact O-OG1 3.05Å; R42-K295 VanDerWaalsContact CA-NZ 3.3Å; R42-K295 HydrophobicContact CB-CD 3.86Å; R42-K295 HydrophobicContact CB-CG 3.99Å; R42-K295 VanDerWaalsContact CB-NZ 3.32Å; R42-K295 VanDerWaalsContact CD-CE 3.43Å; R42-K295 HydrophobicContact CG-CD 3.98Å; R42-K295 HydrophobicContact CG-CG 3.61Å; R42-K295 VanDerWaalsContact O-CD 3.31Å; R42-K295 WeakPolarHBondContact O-CD 3.3Å; R42-K295 WeakPolarHBondContact O-CE 3.42Å; R42-K295 PolarHBondContact O-NZ 2.92Å
43L36.5Very low38Very low28 Ų2836.2 Ų36.215%0.14718%0.176CC..Hα-helixtrans-79.3-21.2-168.3-79.3159.4000111.5E39 Y40 N47 R210 E214E39-L43 PolarHBondContact O-N 3.33Å; Y40-L43 PolarHBondContact O-N 3.34Å; L43-N47 PolarHBondContact O-N 3.04Å; L43-N47 VanDerWaalsContact O-N 3.13Å; L43-N47 PolarHBondContact O-ND2 3.31Å; L43-R210 HydrophobicContact CD1-CG 4.29Å; L43-R210 VanDerWaalsContact CD1-CZ 3.46Å; L43-E214 WeakPolarHBondContact CB-OE1 3.11Å; L43-E214 VanDerWaalsContact CD2-CD 3.44Å; L43-E214 WeakPolarHBondContact CD2-OE1 3.16Å; L43-E214 WeakPolarHBondContact CD2-OE2 3.37Å
44Y41.8Very low38.5Very low14 Ų1437.2 Ų37.26%0.05518%0.181CC..Hα-helixtrans-63.1-51.5167.2177.7-103.6000112.2I16 Y40 R42 T46 N47 I48 E78 Y154 K158I16-Y44 HydrophobicContact CG2-CD2 3.48Å; I16-Y44 VanDerWaalsContact CG2-CD2 3.48Å; I16-Y44 HydrophobicContact CG2-CE2 3.86Å; Y40-Y44 WeakPolarHBondContact O-CB 3.5Å; Y40-Y44 PolarHBondContact O-N 3Å; Y40-Y44 VanDerWaalsContact O-N 3.1Å; R42-Y44 VanDerWaalsContact C-N 3.33Å; R42-Y44 PolarHBondContact O-N 3.19Å; Y44-T46 VanDerWaalsContact C-N 3.28Å; Y44-T46 PolarHBondContact O-N 3.07Å; Y44-N47 PolarHBondContact O-N 2.82Å; Y44-N47 VanDerWaalsContact O-N 3.16Å; Y44-I48 HydrophobicContact CD1-CD1 3.88Å; Y44-I48 HydrophobicContact CD2-CD1 4.28Å; Y44-I48 HydrophobicContact CE1-CD1 3.24Å; Y44-I48 HydrophobicContact CE2-CD1 3.71Å; Y44-I48 HydrophobicContact CG-CD1 4.34Å; Y44-I48 PolarHBondContact O-N 3.25Å; Y44-I48 VanDerWaalsContact O-N 3.1Å; Y44-I48 WeakPolarHBondContact OH-CD1 3.17Å; Y44-E78 HydrophobicContact CE1-CG 4.29Å; Y44-E78 PolarHBondContact OH-OE1 3.03Å; Y44-E78 PolarHBondContact OH-OE2 2.99Å; Y44-Y154 AromaticContact CE2-CE1 3.99Å; Y44-Y154 HydrophobicContact CE2-CE1 3.99Å; Y44-Y154 AromaticContact CZ-CE1 3.99Å; Y44-Y154 WeakPolarHBondContact OH-CE1 3.01Å; Y44-K158 HydrophobicContact CE1-CD 4.2Å; Y44-K158 HydrophobicContact CE2-CD 3.48Å; Y44-K158 VanDerWaalsContact CE2-CD 3.48Å; Y44-K158 WeakPolarHBondContact OH-CD 3.35Å; Y44-K158 PolarHBondContact OH-NZ 3.4Å
45I36.5Very low39Very low4 Ų435.3 Ų35.32%0.02117%0.173CC..Hα-helixtrans-61.3-39.1176.3-71.8167.1000110.4G41 R42 N47 I48 H49 L74 K295 Y296G41-I45 WeakPolarHBondContact O-CB 3.33Å; G41-I45 WeakPolarHBondContact O-CD1 3.21Å; G41-I45 VanDerWaalsContact O-CG1 3.25Å; G41-I45 WeakPolarHBondContact O-CG1 3.4Å; G41-I45 PolarHBondContact O-N 3.06Å; R42-I45 PolarHBondContact O-N 2.96Å; I45-N47 PolarHBondContact O-N 3.24Å; I45-I48 PolarHBondContact O-N 3.05Å; I45-H49 WeakPolarHBondContact CG2-CE1 3.48Å; I45-H49 WeakPolarHBondContact O-CB 3.11Å; I45-H49 PolarHBondContact O-N 3.04Å; I45-L74 HydrophobicContact CG2-CD2 4.29Å; I45-K295 HydrophobicContact CB-CB 4.38Å; I45-K295 HydrophobicContact CB-CD 4.11Å; I45-K295 HydrophobicContact CD1-CB 3.5Å; I45-K295 VanDerWaalsContact CD1-CB 3.5Å; I45-K295 HydrophobicContact CD1-CG 4.22Å; I45-K295 HydrophobicContact CG2-CB 4.19Å; I45-K295 HydrophobicContact CG2-CD 4.12Å; I45-Y296 HydrophobicContact CD1-CE2 4.33Å; I45-Y296 HydrophobicContact CG2-CE1 4.31Å
46T36Very low39.8Very low31 Ų3133.4 Ų33.419%0.1916%0.155CC..Hα-helixtrans-60.5-44175-52.70000112.3R42 Y44 I50 K295R42-T46 PolarHBondContact O-N 2.99Å; R42-T46 VanDerWaalsContact O-N 3.12Å; R42-T46 PolarHBondContact O-OG1 3.22Å; R42-T46 VanDerWaalsContact O-OG1 3.05Å; Y44-T46 VanDerWaalsContact C-N 3.28Å; Y44-T46 PolarHBondContact O-N 3.07Å; T46-I50 HydrophobicContact CG2-CD1 3.75Å; T46-I50 HydrophobicContact CG2-CG1 4.44Å; T46-I50 VanDerWaalsContact O-CB 3.3Å; T46-I50 WeakPolarHBondContact O-CB 3.44Å; T46-I50 WeakPolarHBondContact O-CD1 3.47Å; T46-I50 WeakPolarHBondContact O-CG1 3.43Å; T46-I50 PolarHBondContact O-N 3.41Å; T46-K295 PolarHBondContact OG1-NZ 3.49Å; T46-K295 VanDerWaalsContact OG1-NZ 3.08Å
47N40.5Very low40.4Very low13 Ų1337.5 Ų37.57%0.0717%0.173CC..Hα-helixtrans-66.9-40.1179.7-85.2-44.9000112.2L43 Y44 I45 I50 H51L43-N47 PolarHBondContact O-N 3.04Å; L43-N47 VanDerWaalsContact O-N 3.13Å; L43-N47 PolarHBondContact O-ND2 3.31Å; Y44-N47 PolarHBondContact O-N 2.82Å; Y44-N47 VanDerWaalsContact O-N 3.16Å; I45-N47 PolarHBondContact O-N 3.24Å; N47-I50 PolarHBondContact O-N 2.97Å; N47-H51 WeakPolarHBondContact O-CB 3.35Å; N47-H51 PolarHBondContact O-N 3.1Å; N47-H51 PolarHBondContact O-ND1 3.33Å
48I45.2Very low40.7Very low4 Ų440.1 Ų40.12%0.02120%0.196CC..Hα-helixtrans-76.1-38.1178-56.4162.3000111.5Y44 I45 I50 H51 Y52 L74 L151 Y154Y44-I48 HydrophobicContact CD1-CD1 3.88Å; Y44-I48 HydrophobicContact CD2-CD1 4.28Å; Y44-I48 HydrophobicContact CE1-CD1 3.24Å; Y44-I48 HydrophobicContact CE2-CD1 3.71Å; Y44-I48 HydrophobicContact CG-CD1 4.34Å; Y44-I48 PolarHBondContact O-N 3.25Å; Y44-I48 VanDerWaalsContact O-N 3.1Å; Y44-I48 WeakPolarHBondContact OH-CD1 3.17Å; I45-I48 PolarHBondContact O-N 3.05Å; I48-I50 PolarHBondContact O-N 3.4Å; I48-H51 PolarHBondContact O-N 2.98Å; I48-Y52 WeakPolarHBondContact O-CB 3.45Å; I48-Y52 PolarHBondContact O-N 3.39Å; I48-L74 HydrophobicContact CB-CD1 3.85Å; I48-L74 HydrophobicContact CB-CD2 3.75Å; I48-L74 HydrophobicContact CB-CG 4.48Å; I48-L74 HydrophobicContact CD1-CD1 3.85Å; I48-L74 HydrophobicContact CD1-CD2 4.41Å; I48-L74 HydrophobicContact CG1-CD1 4.45Å; I48-L74 HydrophobicContact CG2-CD1 3.21Å; I48-L74 HydrophobicContact CG2-CD2 3.86Å; I48-L74 HydrophobicContact CG2-CG 4.15Å; I48-L151 HydrophobicContact CG2-CD2 3.48Å; I48-L151 VanDerWaalsContact CG2-CD2 3.48Å; I48-Y154 HydrophobicContact CD1-CD1 4.21Å; I48-Y154 HydrophobicContact CD1-CE1 3.51Å; I48-Y154 HydrophobicContact CG1-CD1 4.33Å; I48-Y154 HydrophobicContact CG1-CE1 3.64Å
49H43.2Very low41.2Very low26 Ų2642.7 Ų42.712%0.1221%0.209CC..Hα-helixtrans-55.1-44.3169.5-79.6-177.9000110.7I45 R53 D71 L74 Y296I45-H49 WeakPolarHBondContact CG2-CE1 3.48Å; I45-H49 WeakPolarHBondContact O-CB 3.11Å; I45-H49 PolarHBondContact O-N 3.04Å; H49-R53 WeakPolarHBondContact O-CB 3.31Å; H49-R53 WeakPolarHBondContact O-CG 3.36Å; H49-R53 PolarHBondContact O-N 2.82Å; H49-D71 IonicContact CD2-OD1 3.69Å; H49-D71 VanDerWaalsContact CE1-CG 3.49Å; H49-D71 IonicContact CE1-OD1 3.95Å; H49-D71 PolarHBondContact CE1-OD1 3.19Å; H49-D71 IonicContact CE1-OD2 3.49Å; H49-D71 IonicContact ND1-OD1 2.7Å; H49-D71 IonicContact NE2-OD1 3.52Å; H49-D71 PolarHBondContact NE2-OD1 3.17Å; H49-L74 WeakPolarHBondContact CD2-CD2 3.45Å; H49-Y296 AromaticContact CE1-CE1 3.74Å; H49-Y296 AromaticContact NE2-CE1 3.56Å
50I45.4Very low42.1Very low35 Ų3539.5 Ų39.518%0.17920%0.195CC..Hα-helixtrans-68.1-46.3176.6-71.1170.7000110.7T46 N47 I48 Y52 R53 L54 R218T46-I50 HydrophobicContact CG2-CD1 3.75Å; T46-I50 HydrophobicContact CG2-CG1 4.44Å; T46-I50 VanDerWaalsContact O-CB 3.3Å; T46-I50 WeakPolarHBondContact O-CB 3.44Å; T46-I50 WeakPolarHBondContact O-CD1 3.47Å; T46-I50 WeakPolarHBondContact O-CG1 3.43Å; T46-I50 PolarHBondContact O-N 3.41Å; N47-I50 PolarHBondContact O-N 2.97Å; I48-I50 PolarHBondContact O-N 3.4Å; I50-Y52 PolarHBondContact O-N 3.48Å; I50-R53 PolarHBondContact O-N 3.27Å; I50-L54 HydrophobicContact CG2-CD1 3.41Å; I50-L54 VanDerWaalsContact CG2-CD1 3.41Å; I50-L54 HydrophobicContact CG2-CG 3.94Å; I50-L54 WeakPolarHBondContact O-CA 3.49Å; I50-L54 WeakPolarHBondContact O-CB 3.38Å; I50-L54 WeakPolarHBondContact O-CG 3.43Å; I50-L54 PolarHBondContact O-N 2.87Å; I50-R218 HydrophobicContact CD1-CG 4.45Å
51H46.9Very low42.9Very low58 Ų5842 Ų4227%0.26922%0.217SC..Hα-helixtrans-61.5-45.9178.5-82.774.7000111.9N47 I48 L55N47-H51 WeakPolarHBondContact O-CB 3.35Å; N47-H51 PolarHBondContact O-N 3.1Å; N47-H51 PolarHBondContact O-ND1 3.33Å; I48-H51 PolarHBondContact O-N 2.98Å; H51-L55 WeakPolarHBondContact O-CB 3.06Å; H51-L55 PolarHBondContact O-N 2.83Å
52Y48.6Very low43.8Very low3 Ų349 Ų491%0.01225%0.254CS..Hα-helixtrans-65.4-50.3177.4-173.9-123.3000110.8I48 I50 L54 L55 I56 F65 A70 I73 L151I48-Y52 WeakPolarHBondContact O-CB 3.45Å; I48-Y52 PolarHBondContact O-N 3.39Å; I50-Y52 PolarHBondContact O-N 3.48Å; Y52-L54 VanDerWaalsContact C-N 3.33Å; Y52-L54 PolarHBondContact O-N 3.36Å; Y52-L55 PolarHBondContact O-N 3.45Å; Y52-I56 HydrophobicContact CD1-CD1 3.37Å; Y52-I56 HydrophobicContact CD2-CD1 3.88Å; Y52-I56 HydrophobicContact CD2-CG1 4.2Å; Y52-I56 HydrophobicContact CE1-CD1 3.22Å; Y52-I56 HydrophobicContact CE1-CG1 4.34Å; Y52-I56 HydrophobicContact CE2-CD1 3.73Å; Y52-I56 HydrophobicContact CE2-CG1 4.01Å; Y52-I56 HydrophobicContact CG-CD1 3.71Å; Y52-I56 HydrophobicContact CG-CG1 4.45Å; Y52-I56 VanDerWaalsContact CZ-CD1 3.41Å; Y52-I56 WeakPolarHBondContact O-CB 3.37Å; Y52-I56 VanDerWaalsContact O-CD1 3.28Å; Y52-I56 WeakPolarHBondContact O-CD1 3.37Å; Y52-I56 WeakPolarHBondContact O-CG1 3.45Å; Y52-I56 PolarHBondContact O-N 3.27Å; Y52-F65 HydrophobicContact CE1-CD2 4.06Å; Y52-F65 AromaticContact CE1-CE2 3.79Å; Y52-F65 HydrophobicContact CE1-CE2 3.79Å; Y52-F65 AromaticContact CZ-CE2 3.62Å; Y52-F65 WeakPolarHBondContact OH-CE2 3.08Å; Y52-F65 WeakPolarHBondContact OH-CZ 3.05Å; Y52-A70 HydrophobicContact CD1-CB 4.22Å; Y52-A70 HydrophobicContact CE1-CB 4.13Å; Y52-I73 HydrophobicContact CE1-CG2 4.35Å; Y52-I73 VanDerWaalsContact OH-CD1 3.29Å; Y52-I73 WeakPolarHBondContact OH-CD1 3.42Å; Y52-L151 HydrophobicContact CD2-CD1 3.4Å; Y52-L151 HydrophobicContact CD2-CD2 4.23Å; Y52-L151 HydrophobicContact CD2-CG 3.86Å; Y52-L151 HydrophobicContact CE2-CD1 3.52Å; Y52-L151 HydrophobicContact CE2-CG 4.31Å; Y52-L151 HydrophobicContact CG-CD1 4.02Å
53R48.6Very low45Very low113 Ų11345.2 Ų45.243%0.42624%0.241SC..Hα-helixtrans-60.2-42.7176.7-73.5176.2-176.8-167.43.8111.4H49 I50 I56 M57H49-R53 WeakPolarHBondContact O-CB 3.31Å; H49-R53 WeakPolarHBondContact O-CG 3.36Å; H49-R53 PolarHBondContact O-N 2.82Å; I50-R53 PolarHBondContact O-N 3.27Å; R53-I56 PolarHBondContact O-N 2.97Å; R53-M57 WeakPolarHBondContact O-CB 3.14Å; R53-M57 WeakPolarHBondContact O-CG 3.39Å; R53-M57 PolarHBondContact O-N 3.43Å
54L44.9Very low46Very low50 Ų5052.2 Ų52.226%0.26227%0.27SS..Hα-helixtrans-66.9-40.6176.8-71.9176.2000111.7I50 Y52 M57 A58 V221 L225I50-L54 HydrophobicContact CG2-CD1 3.41Å; I50-L54 VanDerWaalsContact CG2-CD1 3.41Å; I50-L54 HydrophobicContact CG2-CG 3.94Å; I50-L54 WeakPolarHBondContact O-CA 3.49Å; I50-L54 WeakPolarHBondContact O-CB 3.38Å; I50-L54 WeakPolarHBondContact O-CG 3.43Å; I50-L54 PolarHBondContact O-N 2.87Å; Y52-L54 VanDerWaalsContact C-N 3.33Å; Y52-L54 PolarHBondContact O-N 3.36Å; L54-M57 PolarHBondContact O-N 3.17Å; L54-A58 WeakPolarHBondContact O-CB 3.12Å; L54-A58 PolarHBondContact O-N 2.97Å; L54-V221 HydrophobicContact CD1-CG1 3.72Å; L54-L225 HydrophobicContact CD2-CD1 4.32Å
55L45.9Very low46.8Very low31 Ų3153.1 Ų53.116%0.16227%0.274CS..Hα-helixtrans-64.1-45.1176.2-173.467.4000111H51 Y52 A58 L59 Y146 V150H51-L55 WeakPolarHBondContact O-CB 3.06Å; H51-L55 PolarHBondContact O-N 2.83Å; Y52-L55 PolarHBondContact O-N 3.45Å; L55-A58 PolarHBondContact O-N 2.77Å; L55-L59 HydrophobicContact CD1-CD1 3.68Å; L55-L59 HydrophobicContact CD1-CG 4.25Å; L55-L59 HydrophobicContact CG-CD1 3.79Å; L55-L59 VanDerWaalsContact O-CB 3.26Å; L55-L59 WeakPolarHBondContact O-CB 3.23Å; L55-L59 WeakPolarHBondContact O-CG 3.46Å; L55-L59 PolarHBondContact O-N 3.25Å; L55-Y146 HydrophobicContact CD1-CE1 4.18Å; L55-V150 HydrophobicContact CD2-CB 3.97Å; L55-V150 HydrophobicContact CD2-CG1 4.01Å; L55-V150 HydrophobicContact CD2-CG2 4.23Å
56I47.4Very low48Very low17 Ų1756.1 Ų56.19%0.08729%0.293CS..Hα-helixtrans-63.8-47.4173.7-66155.3000110.7Y52 R53 A58 L59 S60 M63 F65Y52-I56 HydrophobicContact CD1-CD1 3.37Å; Y52-I56 HydrophobicContact CD2-CD1 3.88Å; Y52-I56 HydrophobicContact CD2-CG1 4.2Å; Y52-I56 HydrophobicContact CE1-CD1 3.22Å; Y52-I56 HydrophobicContact CE1-CG1 4.34Å; Y52-I56 HydrophobicContact CE2-CD1 3.73Å; Y52-I56 HydrophobicContact CE2-CG1 4.01Å; Y52-I56 HydrophobicContact CG-CD1 3.71Å; Y52-I56 HydrophobicContact CG-CG1 4.45Å; Y52-I56 VanDerWaalsContact CZ-CD1 3.41Å; Y52-I56 WeakPolarHBondContact O-CB 3.37Å; Y52-I56 VanDerWaalsContact O-CD1 3.28Å; Y52-I56 WeakPolarHBondContact O-CD1 3.37Å; Y52-I56 WeakPolarHBondContact O-CG1 3.45Å; Y52-I56 PolarHBondContact O-N 3.27Å; R53-I56 PolarHBondContact O-N 2.97Å; I56-A58 VanDerWaalsContact C-N 3.28Å; I56-A58 PolarHBondContact O-N 3.15Å; I56-L59 PolarHBondContact O-N 3.03Å; I56-S60 CarbonylContact O-C 3.56Å; I56-S60 VanDerWaalsContact O-CA 3.25Å; I56-S60 WeakPolarHBondContact O-CA 3.38Å; I56-S60 PolarHBondContact O-N 3.33Å; I56-S60 VanDerWaalsContact O-O 3.11Å; I56-M63 HydrophobicContact CG2-CB 3.8Å; I56-M63 HydrophobicContact CG2-CG 3.93Å; I56-M63 HydrophobicContact CG2-SD 3.66Å; I56-F65 HydrophobicContact CD1-CD2 3.5Å; I56-F65 VanDerWaalsContact CD1-CD2 3.5Å; I56-F65 HydrophobicContact CD1-CE2 3.52Å; I56-F65 HydrophobicContact CG1-CD2 4.43Å; I56-F65 HydrophobicContact CG1-CE2 4.15Å
57M46Very low49Very low125 Ų12558.6 Ų58.662%0.61631%0.31SS*.Hα-helixtrans-61.9-37.8179.1-76.5174.167.900111.6R53 L54 P61R53-M57 WeakPolarHBondContact O-CB 3.14Å; R53-M57 WeakPolarHBondContact O-CG 3.39Å; R53-M57 PolarHBondContact O-N 3.43Å; L54-M57 PolarHBondContact O-N 3.17Å; M57-P61 WeakPolarHBondContact O-CB 3Å; M57-P61 WeakPolarHBondContact O-CD 3.39Å
58A41.9Very low50.1Low64 Ų6459.7 Ų59.753%0.52932%0.324SS..Hα-helixtrans-73.7-40.517900000112.5L54 L55 I56L54-A58 WeakPolarHBondContact O-CB 3.12Å; L54-A58 PolarHBondContact O-N 2.97Å; L55-A58 PolarHBondContact O-N 2.77Å; I56-A58 VanDerWaalsContact C-N 3.28Å; I56-A58 PolarHBondContact O-N 3.15Å
59L42.4Very low51.1Low61 Ų6161.3 Ų61.332%0.31933%0.332SS..Hα-helixtrans-88.7-28.8-176.7-63.7174.8000112.9L55 I56 N143 Y146L55-L59 HydrophobicContact CD1-CD1 3.68Å; L55-L59 HydrophobicContact CD1-CG 4.25Å; L55-L59 HydrophobicContact CG-CD1 3.79Å; L55-L59 VanDerWaalsContact O-CB 3.26Å; L55-L59 WeakPolarHBondContact O-CB 3.23Å; L55-L59 WeakPolarHBondContact O-CG 3.46Å; L55-L59 PolarHBondContact O-N 3.25Å; I56-L59 PolarHBondContact O-N 3.03Å; L59-N143 HydrophobicContact CB-CB 3.96Å; L59-N143 PolarHBondContact O-ND2 3.29Å; L59-Y146 HydrophobicContact CD1-CD1 3.46Å; L59-Y146 VanDerWaalsContact CD1-CD1 3.46Å; L59-Y146 HydrophobicContact CD1-CE1 3.86Å
60S49.7Very low52.1Low9 Ų960.3 Ų60.36%0.06333%0.328CS..  trans-153.670.9-171.9-68.90000111I56 N62 M63 N143I56-S60 CarbonylContact O-C 3.56Å; I56-S60 VanDerWaalsContact O-CA 3.25Å; I56-S60 WeakPolarHBondContact O-CA 3.38Å; I56-S60 PolarHBondContact O-N 3.33Å; I56-S60 VanDerWaalsContact O-O 3.11Å; S60-N62 PolarHBondContact O-N 2.9Å; S60-M63 WeakPolarHBondContact O-CB 3.15Å; S60-M63 PolarHBondContact O-N 3.35Å; S60-N143 WeakPolarHBondContact OG-CB 3.1Å; S60-N143 PolarHBondContact OG-ND2 2.92Å
61P50.2Low53Low98 Ų9859.8 Ų59.864%0.63633%0.325SS*.THydrogen-bonded Turntrans-58.9-23.1-177.822.4-33.3000114.1M57 M63M57-P61 WeakPolarHBondContact O-CB 3Å; M57-P61 WeakPolarHBondContact O-CD 3.39Å; P61-M63 PolarHBondContact O-N 3.05Å
62N50.7Low54.2Low145 Ų14561.2 Ų61.278%0.77534%0.335SS*.THydrogen-bonded Turntrans-77.3-8.8177.1-62.4-24.7000113.5S60 K64S60-N62 PolarHBondContact O-N 2.9Å; N62-K64 PolarHBondContact O-N 3.1Å
63M56.9Low55.2Low21 Ų2161.1 Ų61.110%0.10334%0.335CS..  trans-83111.7-175.7-172.2174.4177.700110.8I56 S60 P61 F65 W136 I140 I144I56-M63 HydrophobicContact CG2-CB 3.8Å; I56-M63 HydrophobicContact CG2-CG 3.93Å; I56-M63 HydrophobicContact CG2-SD 3.66Å; S60-M63 WeakPolarHBondContact O-CB 3.15Å; S60-M63 PolarHBondContact O-N 3.35Å; P61-M63 PolarHBondContact O-N 3.05Å; M63-F65 HydrophobicContact CE-CD1 4.35Å; M63-F65 HydrophobicContact CE-CD2 3.67Å; M63-F65 HydrophobicContact CE-CE1 3.71Å; M63-F65 HydrophobicContact CE-CE2 2.9Å; M63-F65 HydrophobicContact CE-CG 4.36Å; M63-F65 HydrophobicContact CE-CZ 2.95Å; M63-F65 HydrophobicContact SD-CE2 4.06Å; M63-W136 HydrophobicContact CE-CH2 3.26Å; M63-W136 HydrophobicContact CE-CZ3 3.24Å; M63-W136 HydrophobicContact CG-CH2 3.81Å; M63-W136 HydrophobicContact CG-CZ3 3.59Å; M63-W136 HydrophobicContact SD-CH2 4.15Å; M63-W136 HydrophobicContact SD-CZ3 3.65Å; M63-I140 HydrophobicContact CG-CG2 4.47Å; M63-I140 HydrophobicContact SD-CG2 4.09Å; M63-I144 HydrophobicContact CE-CB 4.26Å; M63-I144 HydrophobicContact CE-CD1 3.64Å; M63-I144 HydrophobicContact CE-CG1 3.35Å; M63-I144 HydrophobicContact CE-CG2 3.81Å; M63-I144 HydrophobicContact SD-CD1 4.26Å; M63-I144 HydrophobicContact SD-CG1 3.65Å
64K57.4Low56.1Low174 Ų17455.8 Ų55.876%0.75732%0.315SS*.  trans-10389.7175.1-63.5-174.2-178.3-177.80109.9N62 R134N62-K64 PolarHBondContact O-N 3.1Å; K64-R134 PolarHBondContact O-NH1 3.24Å
65F58.6Low57.5Low33 Ų3355.1 Ų55.115%0.14531%0.31CS..  trans-66.7141.5157.5-76.2-63.7000109Y52 I56 M63 E69 A70 I73 L128 I144Y52-F65 HydrophobicContact CE1-CD2 4.06Å; Y52-F65 AromaticContact CE1-CE2 3.79Å; Y52-F65 HydrophobicContact CE1-CE2 3.79Å; Y52-F65 AromaticContact CZ-CE2 3.62Å; Y52-F65 WeakPolarHBondContact OH-CE2 3.08Å; Y52-F65 WeakPolarHBondContact OH-CZ 3.05Å; I56-F65 HydrophobicContact CD1-CD2 3.5Å; I56-F65 VanDerWaalsContact CD1-CD2 3.5Å; I56-F65 HydrophobicContact CD1-CE2 3.52Å; I56-F65 HydrophobicContact CG1-CD2 4.43Å; I56-F65 HydrophobicContact CG1-CE2 4.15Å; M63-F65 HydrophobicContact CE-CD1 4.35Å; M63-F65 HydrophobicContact CE-CD2 3.67Å; M63-F65 HydrophobicContact CE-CE1 3.71Å; M63-F65 HydrophobicContact CE-CE2 2.9Å; M63-F65 HydrophobicContact CE-CG 4.36Å; M63-F65 HydrophobicContact CE-CZ 2.95Å; M63-F65 HydrophobicContact SD-CE2 4.06Å; F65-E69 WeakPolarHBondContact CA-OE2 3.46Å; F65-E69 HydrophobicContact CB-CB 4.19Å; F65-E69 HydrophobicContact CD1-CB 3.65Å; F65-E69 HydrophobicContact CD1-CG 4.49Å; F65-E69 HydrophobicContact CE1-CB 4.45Å; F65-E69 HydrophobicContact CG-CB 4.32Å; F65-A70 HydrophobicContact CB-CB 4.24Å; F65-I73 HydrophobicContact CD1-CD1 4.36Å; F65-I73 HydrophobicContact CE1-CD1 3.54Å; F65-I73 HydrophobicContact CE2-CD1 4.32Å; F65-I73 HydrophobicContact CZ-CD1 3.47Å; F65-I73 VanDerWaalsContact CZ-CD1 3.47Å; F65-L128 HydrophobicContact CE1-CD2 4.09Å; F65-L128 HydrophobicContact CZ-CD2 3.94Å; F65-I144 HydrophobicContact CZ-CG2 4.26Å
66T60.9Low58.8Low68 Ų6856.8 Ų56.842%0.41732%0.316SS..  trans-65153.1159.470.50000108.3G68 E69 A70T66-G68 PolarHBondContact O-N 3.21Å; T66-E69 PolarHBondContact N-OE2 2.54Å; T66-E69 PolarHBondContact O-N 2.91Å; T66-E69 VanDerWaalsContact OG1-CG 3.31Å; T66-E69 WeakPolarHBondContact OG1-CG 3.36Å; T66-E69 PolarHBondContact OG1-N 3.47Å; T66-E69 VanDerWaalsContact OG1-N 3.13Å; T66-A70 PolarHBondContact O-N 2.79Å
67P57.4Low60Low82 Ų8256.5 Ų56.553%0.53232%0.316SS..Hα-helixtrans-47.6-46.1171.5-29.836.4000112.2E69 A70 D71P67-E69 PolarHBondContact O-N 2.69Å; P67-A70 PolarHBondContact O-N 2.91Å; P67-D71 VanDerWaalsContact O-CB 3.29Å; P67-D71 WeakPolarHBondContact O-CB 3.23Å; P67-D71 PolarHBondContact O-N 3.01Å
68G63.7Low61.5Low37 Ų3750.9 Ų50.938%0.38129%0.288SS..Hα-helixtrans-63.6-32.4178.100000115.4T66 N72T66-G68 PolarHBondContact O-N 3.21Å; G68-N72 WeakPolarHBondContact O-CB 3.12Å; G68-N72 VanDerWaalsContact O-CG 3.3Å; G68-N72 PolarHBondContact O-N 2.95Å; G68-N72 PolarHBondContact O-ND2 3.28Å
69E66.4Low63.3Low38 Ų3849.2 Ų49.218%0.17827%0.269CS..Hα-helixtrans-69-43.2175.3-75.4170.2150.700111.8F65 T66 P67 D71 I73 M127 R134F65-E69 WeakPolarHBondContact CA-OE2 3.46Å; F65-E69 HydrophobicContact CB-CB 4.19Å; F65-E69 HydrophobicContact CD1-CB 3.65Å; F65-E69 HydrophobicContact CD1-CG 4.49Å; F65-E69 HydrophobicContact CE1-CB 4.45Å; F65-E69 HydrophobicContact CG-CB 4.32Å; T66-E69 PolarHBondContact N-OE2 2.54Å; T66-E69 PolarHBondContact O-N 2.91Å; T66-E69 VanDerWaalsContact OG1-CG 3.31Å; T66-E69 WeakPolarHBondContact OG1-CG 3.36Å; T66-E69 PolarHBondContact OG1-N 3.47Å; T66-E69 VanDerWaalsContact OG1-N 3.13Å; P67-E69 PolarHBondContact O-N 2.69Å; E69-D71 VanDerWaalsContact C-N 3.34Å; E69-I73 VanDerWaalsContact O-CG1 3.32Å; E69-I73 WeakPolarHBondContact O-CG1 3.41Å; E69-I73 PolarHBondContact O-N 3.36Å; E69-I73 VanDerWaalsContact O-N 3.11Å; E69-M127 HydrophobicContact CB-CE 4.33Å; E69-M127 HydrophobicContact CG-CE 4.48Å; E69-R134 VanDerWaalsContact CD-NH2 3.25Å; E69-R134 IonicContact OE1-CZ 2.77Å; E69-R134 IonicContact OE1-NH2 2.67Å; E69-R134 PolarHBondContact OE1-NH2 3.01Å; E69-R134 IonicContact OE2-CZ 2.78Å; E69-R134 IonicContact OE2-NH1 3.84Å; E69-R134 IonicContact OE2-NH2 3.86Å; E69-R134 PolarHBondContact OE2-NH2 2.79Å
70A64Low65.3Low4 Ų447.3 Ų47.33%0.03326%0.259CS..Hα-helixtrans-64.7-42.9178.500000111.4Y52 F65 T66 P67 I73 L74Y52-A70 HydrophobicContact CD1-CB 4.22Å; Y52-A70 HydrophobicContact CE1-CB 4.13Å; F65-A70 HydrophobicContact CB-CB 4.24Å; T66-A70 PolarHBondContact O-N 2.79Å; P67-A70 PolarHBondContact O-N 2.91Å; A70-I73 PolarHBondContact O-N 3.13Å; A70-L74 PolarHBondContact O-N 2.89Å; A70-L74 VanDerWaalsContact O-N 3.08Å
71D65.4Low66.9Low24 Ų2447.8 Ų47.813%0.12826%0.26CS..Hα-helixtrans-60.7-47.7177.4-75.319.1000111.5H49 P67 E69 I73 L74 H75 Y296H49-D71 IonicContact CD2-OD1 3.69Å; H49-D71 VanDerWaalsContact CE1-CG 3.49Å; H49-D71 IonicContact CE1-OD1 3.95Å; H49-D71 PolarHBondContact CE1-OD1 3.19Å; H49-D71 IonicContact CE1-OD2 3.49Å; H49-D71 IonicContact ND1-OD1 2.7Å; H49-D71 IonicContact NE2-OD1 3.52Å; H49-D71 PolarHBondContact NE2-OD1 3.17Å; P67-D71 VanDerWaalsContact O-CB 3.29Å; P67-D71 WeakPolarHBondContact O-CB 3.23Å; P67-D71 PolarHBondContact O-N 3.01Å; E69-D71 VanDerWaalsContact C-N 3.34Å; D71-I73 PolarHBondContact O-N 3.33Å; D71-L74 PolarHBondContact O-N 3.48Å; D71-H75 WeakPolarHBondContact O-CB 3.31Å; D71-H75 PolarHBondContact O-N 3.21Å; D71-Y296 VanDerWaalsContact CA-CE1 3.43Å; D71-Y296 HydrophobicContact CB-CD1 3.34Å; D71-Y296 HydrophobicContact CB-CE1 3.27Å; D71-Y296 HydrophobicContact CB-CG 4.43Å; D71-Y296 PolarHBondContact O-OH 3.22Å; D71-Y296 WeakPolarHBondContact OD2-CD1 3.48Å
72N70.9Confident68.5Low89 Ų8943.8 Ų43.848%0.47623%0.233SC..Hα-helixtrans-62.8-42.2177-82-20.6000113.1G68 L74 H75 K76 M127G68-N72 WeakPolarHBondContact O-CB 3.12Å; G68-N72 VanDerWaalsContact O-CG 3.3Å; G68-N72 PolarHBondContact O-N 2.95Å; G68-N72 PolarHBondContact O-ND2 3.28Å; N72-L74 VanDerWaalsContact C-N 3.3Å; N72-L74 PolarHBondContact O-N 3.44Å; N72-H75 PolarHBondContact O-N 3.1Å; N72-K76 WeakPolarHBondContact O-CB 3.21Å; N72-K76 WeakPolarHBondContact O-CG 3.28Å; N72-K76 PolarHBondContact O-N 3.26Å; N72-M127 HydrophobicContact CB-CE 4.49Å; N72-M127 HydrophobicContact CB-SD 4.05Å
73I70.2Confident70.3Confident0 Ų037 Ų370%020%0.197CC..Hα-helixtrans-60.3-45177-73.8170.3000110.3Y52 F65 E69 A70 D71 S77 C124 M127 L151Y52-I73 HydrophobicContact CE1-CG2 4.35Å; Y52-I73 VanDerWaalsContact OH-CD1 3.29Å; Y52-I73 WeakPolarHBondContact OH-CD1 3.42Å; F65-I73 HydrophobicContact CD1-CD1 4.36Å; F65-I73 HydrophobicContact CE1-CD1 3.54Å; F65-I73 HydrophobicContact CE2-CD1 4.32Å; F65-I73 HydrophobicContact CZ-CD1 3.47Å; F65-I73 VanDerWaalsContact CZ-CD1 3.47Å; E69-I73 VanDerWaalsContact O-CG1 3.32Å; E69-I73 WeakPolarHBondContact O-CG1 3.41Å; E69-I73 PolarHBondContact O-N 3.36Å; E69-I73 VanDerWaalsContact O-N 3.11Å; A70-I73 PolarHBondContact O-N 3.13Å; D71-I73 PolarHBondContact O-N 3.33Å; I73-S77 WeakPolarHBondContact O-CB 3.38Å; I73-S77 PolarHBondContact O-N 3.22Å; I73-C124 HydrophobicContact CG2-CB 4.14Å; I73-C124 WeakPolarHBondContact CG2-SG 3.12Å; I73-M127 HydrophobicContact CD1-CE 3.92Å; I73-M127 HydrophobicContact CG1-CE 3.57Å; I73-M127 HydrophobicContact CG1-SD 3.73Å; I73-L151 HydrophobicContact CG2-CD1 3.84Å
74L67.5Low71.9Confident2 Ų240.3 Ų40.31%0.0121%0.21CC..Hα-helixtrans-63.3-52.6178.7176.454.9000111.1I45 I48 H49 A70 D71 N72 K76 S77 E78 Y296I45-L74 HydrophobicContact CG2-CD2 4.29Å; I48-L74 HydrophobicContact CB-CD1 3.85Å; I48-L74 HydrophobicContact CB-CD2 3.75Å; I48-L74 HydrophobicContact CB-CG 4.48Å; I48-L74 HydrophobicContact CD1-CD1 3.85Å; I48-L74 HydrophobicContact CD1-CD2 4.41Å; I48-L74 HydrophobicContact CG1-CD1 4.45Å; I48-L74 HydrophobicContact CG2-CD1 3.21Å; I48-L74 HydrophobicContact CG2-CD2 3.86Å; I48-L74 HydrophobicContact CG2-CG 4.15Å; H49-L74 WeakPolarHBondContact CD2-CD2 3.45Å; A70-L74 PolarHBondContact O-N 2.89Å; A70-L74 VanDerWaalsContact O-N 3.08Å; D71-L74 PolarHBondContact O-N 3.48Å; N72-L74 VanDerWaalsContact C-N 3.3Å; N72-L74 PolarHBondContact O-N 3.44Å; L74-K76 VanDerWaalsContact C-N 3.29Å; L74-K76 PolarHBondContact O-N 3.15Å; L74-S77 PolarHBondContact O-N 2.9Å; L74-S77 VanDerWaalsContact O-N 3.16Å; L74-E78 HydrophobicContact CD1-CG 4.11Å; L74-E78 PolarHBondContact O-N 2.82Å; L74-Y296 WeakPolarHBondContact CB-OH 3.42Å; L74-Y296 VanDerWaalsContact CD2-OH 3.29Å; L74-Y296 WeakPolarHBondContact CD2-OH 3.27Å; L74-Y296 VanDerWaalsContact CG-OH 3.25Å; L74-Y296 WeakPolarHBondContact CG-OH 3.48Å
75H73.1Confident73.4Confident36 Ų3632.1 Ų32.117%0.16718%0.175CC..Hα-helixtrans-52.3-49-179.9-179.470.6000111.9D71 N72 E78 E79 Y296D71-H75 WeakPolarHBondContact O-CB 3.31Å; D71-H75 PolarHBondContact O-N 3.21Å; N72-H75 PolarHBondContact O-N 3.1Å; H75-E78 PolarHBondContact O-N 3.48Å; H75-E79 WeakPolarHBondContact O-CB 3.49Å; H75-E79 PolarHBondContact O-N 3.03Å; H75-Y296 HydrophobicContact CB-CD2 4.11Å; H75-Y296 HydrophobicContact CB-CE2 3.51Å; H75-Y296 AromaticContact CG-CE2 3.98Å; H75-Y296 AromaticContact ND1-CE2 3.84Å
76K75Confident75Confident65 Ų6530.6 Ų30.628%0.28317%0.168SC..Hα-helixtrans-75.5-26.1-177.4-68.4-62.4-168.9-167.20114N72 L74 E78 E79 F123N72-K76 WeakPolarHBondContact O-CB 3.21Å; N72-K76 WeakPolarHBondContact O-CG 3.28Å; N72-K76 PolarHBondContact O-N 3.26Å; L74-K76 VanDerWaalsContact C-N 3.29Å; L74-K76 PolarHBondContact O-N 3.15Å; K76-E78 VanDerWaalsContact C-N 3.32Å; K76-E79 WeakPolarHBondContact CD-OE2 3.13Å; K76-E79 WeakPolarHBondContact CE-OE2 3.47Å; K76-E79 IonicContact NZ-OE1 3.01Å; K76-E79 PolarHBondContact NZ-OE1 3.13Å; K76-E79 IonicContact NZ-OE2 2.69Å; K76-E79 PolarHBondContact NZ-OE2 3.36Å; K76-F123 HydrophobicContact CB-CB 4.04Å; K76-F123 HydrophobicContact CB-CD1 3.05Å; K76-F123 HydrophobicContact CB-CD2 4.1Å; K76-F123 HydrophobicContact CB-CE1 3.3Å; K76-F123 HydrophobicContact CB-CE2 4.33Å; K76-F123 HydrophobicContact CB-CG 3.46Å; K76-F123 VanDerWaalsContact CB-CG 3.46Å; K76-F123 HydrophobicContact CB-CZ 3.96Å; K76-F123 HydrophobicContact CD-CE2 4.49Å; K76-F123 HydrophobicContact CG-CD1 3.61Å; K76-F123 HydrophobicContact CG-CD2 4.05Å; K76-F123 HydrophobicContact CG-CE1 3.34Å; K76-F123 HydrophobicContact CG-CE2 3.86Å; K76-F123 HydrophobicContact CG-CG 3.92Å; K76-F123 HydrophobicContact CG-CZ 3.48Å; K76-F123 VanDerWaalsContact CG-CZ 3.48Å
77S72.4Confident76.6Confident12 Ų1228.4 Ų28.48%0.08415%0.154CC..Hα-helixtrans-65.3-38.7168.9-174.80000111.4I73 L74 H81 S155I73-S77 WeakPolarHBondContact O-CB 3.38Å; I73-S77 PolarHBondContact O-N 3.22Å; L74-S77 PolarHBondContact O-N 2.9Å; L74-S77 VanDerWaalsContact O-N 3.16Å; S77-H81 PolarHBondContact O-ND1 2.83Å; S77-S155 PolarHBondContact O-OG 3.07Å; S77-S155 PolarHBondContact OG-OG 2.91Å
78E76.1Confident78.3Confident6 Ų627.9 Ų27.93%0.02815%0.146CC..Hα-helixtrans-73.4-46.1177.4-73.4-65.7121.200112.3Y44 L74 H75 K76 E80 H81 Q82 S155 K158 W159Y44-E78 HydrophobicContact CE1-CG 4.29Å; Y44-E78 PolarHBondContact OH-OE1 3.03Å; Y44-E78 PolarHBondContact OH-OE2 2.99Å; L74-E78 HydrophobicContact CD1-CG 4.11Å; L74-E78 PolarHBondContact O-N 2.82Å; H75-E78 PolarHBondContact O-N 3.48Å; K76-E78 VanDerWaalsContact C-N 3.32Å; E78-E80 VanDerWaalsContact C-N 3.29Å; E78-E80 PolarHBondContact O-N 2.96Å; E78-H81 PolarHBondContact O-N 3.49Å; E78-Q82 WeakPolarHBondContact O-CB 3.16Å; E78-Q82 PolarHBondContact O-N 3.41Å; E78-S155 VanDerWaalsContact OE1-CB 3.23Å; E78-S155 WeakPolarHBondContact OE1-CB 3.47Å; E78-S155 PolarHBondContact OE1-OG 3.13Å; E78-K158 IonicContact OE2-NZ 2.68Å; E78-K158 PolarHBondContact OE2-NZ 2.88Å; E78-W159 PolarHBondContact OE2-NE1 2.94Å
79E81.4Confident79.7Confident29 Ų2926.4 Ų26.414%0.13613%0.129CC..Hα-helixtrans-52.1-44.5-176.3-173.8-173.2-13500112H75 K76 H81 Q82 V83H75-E79 WeakPolarHBondContact O-CB 3.49Å; H75-E79 PolarHBondContact O-N 3.03Å; K76-E79 WeakPolarHBondContact CD-OE2 3.13Å; K76-E79 WeakPolarHBondContact CE-OE2 3.47Å; K76-E79 IonicContact NZ-OE1 3.01Å; K76-E79 PolarHBondContact NZ-OE1 3.13Å; K76-E79 IonicContact NZ-OE2 2.69Å; K76-E79 PolarHBondContact NZ-OE2 3.36Å; E79-H81 VanDerWaalsContact C-N 3.29Å; E79-H81 PolarHBondContact O-N 2.9Å; E79-Q82 PolarHBondContact O-N 3.46Å; E79-V83 HydrophobicContact CG-CG2 4.32Å; E79-V83 WeakPolarHBondContact O-CB 3.47Å; E79-V83 VanDerWaalsContact O-CG2 3.26Å; E79-V83 WeakPolarHBondContact O-CG2 3.24Å; E79-V83 PolarHBondContact O-N 3.27Å
80E82.4Confident81Confident22 Ų2224.6 Ų24.610%0.10312%0.121CC..Hα-helixtrans-55.8-43.7177.9178.8177.6174.500112.3E78 K84 I119E78-E80 VanDerWaalsContact C-N 3.29Å; E78-E80 PolarHBondContact O-N 2.96Å; E80-K84 WeakPolarHBondContact O-CD 3.45Å; E80-K84 VanDerWaalsContact O-CG 3.27Å; E80-K84 WeakPolarHBondContact O-CG 3.26Å; E80-K84 PolarHBondContact O-N 3.05Å; E80-K84 IonicContact OE1-NZ 2.96Å; E80-K84 PolarHBondContact OE1-NZ 3.38Å; E80-I119 HydrophobicContact CB-CG2 3.88Å; E80-I119 HydrophobicContact CG-CG2 3.96Å
81H83.4Confident82.5Confident19 Ų1927.2 Ų27.29%0.08814%0.135CC..Hα-helixtrans-84.9-33.9-174.5-64.389.1000111.8S77 E78 E79 K84 W85 S155 E156 W159S77-H81 PolarHBondContact O-ND1 2.83Å; E78-H81 PolarHBondContact O-N 3.49Å; E79-H81 VanDerWaalsContact C-N 3.29Å; E79-H81 PolarHBondContact O-N 2.9Å; H81-K84 PolarHBondContact O-N 2.84Å; H81-W85 WeakPolarHBondContact O-CB 3.44Å; H81-W85 PolarHBondContact O-N 3.22Å; H81-S155 WeakPolarHBondContact ND1-CB 3.41Å; H81-E156 VanDerWaalsContact CD2-CA 3.5Å; H81-E156 WeakPolarHBondContact CD2-CA 3.46Å; H81-W159 HydrophobicContact CB-CB 3.86Å; H81-W159 HydrophobicContact CB-CG 3.61Å
82Q84.3Confident83.7Confident14 Ų1427 Ų277%0.06514%0.136CC..Hα-helixtrans-59-52.6172.3-176.9-171.120.800111.3E78 E79 K84 W85 A86 W159 M288 V292E78-Q82 WeakPolarHBondContact O-CB 3.16Å; E78-Q82 PolarHBondContact O-N 3.41Å; E79-Q82 PolarHBondContact O-N 3.46Å; Q82-K84 VanDerWaalsContact C-N 3.3Å; Q82-K84 PolarHBondContact O-N 2.84Å; Q82-W85 CarbonylContact O-C 3.6Å; Q82-W85 WeakPolarHBondContact O-CA 3.46Å; Q82-W85 WeakPolarHBondContact O-CB 3.36Å; Q82-W85 PolarHBondContact O-N 2.68Å; Q82-A86 PolarHBondContact O-N 3.15Å; Q82-W159 HydrophobicContact CB-CD2 4.25Å; Q82-W159 HydrophobicContact CB-CH2 3.92Å; Q82-W159 HydrophobicContact CB-CZ2 3.49Å; Q82-W159 VanDerWaalsContact CB-CZ2 3.49Å; Q82-W159 HydrophobicContact CB-CZ3 4.44Å; Q82-W159 HydrophobicContact CG-CH2 3.57Å; Q82-W159 HydrophobicContact CG-CZ2 3.64Å; Q82-W159 HydrophobicContact CG-CZ3 4.15Å; Q82-M288 HydrophobicContact CG-CE 4.37Å; Q82-M288 HydrophobicContact CG-CG 4.21Å; Q82-M288 HydrophobicContact CG-SD 3.14Å; Q82-M288 WeakPolarHBondContact CG-SD 3.3Å; Q82-M288 PolarHBondContact NE2-O 2.66Å; Q82-M288 VanDerWaalsContact NE2-O 3.14Å; Q82-M288 PolarHBondContact NE2-SD 3.29Å; Q82-V292 HydrophobicContact CB-CG2 4.36Å; Q82-V292 HydrophobicContact CG-CG2 4.01Å; Q82-V292 VanDerWaalsContact OE1-CG2 3.3Å
83V88.9Confident84.6Confident3 Ų322.8 Ų22.82%0.01811%0.113CC..Hα-helixtrans-63.2-39.5-178.5172.30000110.9E79 A86 L87 Y112 V115 N116 I119E79-V83 HydrophobicContact CG-CG2 4.32Å; E79-V83 WeakPolarHBondContact O-CB 3.47Å; E79-V83 VanDerWaalsContact O-CG2 3.26Å; E79-V83 WeakPolarHBondContact O-CG2 3.24Å; E79-V83 PolarHBondContact O-N 3.27Å; V83-A86 PolarHBondContact O-N 2.9Å; V83-L87 HydrophobicContact CG1-CD1 4.19Å; V83-L87 WeakPolarHBondContact O-CG 3.5Å; V83-L87 PolarHBondContact O-N 3.26Å; V83-Y112 HydrophobicContact CG1-CD1 4.42Å; V83-Y112 HydrophobicContact CG2-CD1 4.39Å; V83-V115 HydrophobicContact CG2-CB 4.33Å; V83-V115 HydrophobicContact CG2-CG1 3.65Å; V83-N116 HydrophobicContact CG1-CB 3.58Å; V83-I119 HydrophobicContact CB-CD1 3.65Å; V83-I119 HydrophobicContact CG1-CD1 3.93Å; V83-I119 HydrophobicContact CG2-CD1 3.8Å
84K89.9Confident85.7Confident89 Ų8928 Ų2839%0.38713%0.133SC..Hα-helixtrans-63.2-40.1172.9-72.9174.7-168.9171.40112.1E80 H81 Q82 N88E80-K84 WeakPolarHBondContact O-CD 3.45Å; E80-K84 VanDerWaalsContact O-CG 3.27Å; E80-K84 WeakPolarHBondContact O-CG 3.26Å; E80-K84 PolarHBondContact O-N 3.05Å; E80-K84 IonicContact OE1-NZ 2.96Å; E80-K84 PolarHBondContact OE1-NZ 3.38Å; H81-K84 PolarHBondContact O-N 2.84Å; Q82-K84 VanDerWaalsContact C-N 3.3Å; Q82-K84 PolarHBondContact O-N 2.84Å; K84-N88 VanDerWaalsContact O-CG 3.29Å; K84-N88 PolarHBondContact O-N 2.9Å; K84-N88 PolarHBondContact O-ND2 3.31Å
85W90.2Very high86.7Confident3 Ų332.1 Ų32.11%0.01116%0.162CC..Hα-helixtrans-60.5-49172.216799000110.7H81 Q82 L87 N88 Y89 W159 K163 D166 V284 I285 M288H81-W85 WeakPolarHBondContact O-CB 3.44Å; H81-W85 PolarHBondContact O-N 3.22Å; Q82-W85 CarbonylContact O-C 3.6Å; Q82-W85 WeakPolarHBondContact O-CA 3.46Å; Q82-W85 WeakPolarHBondContact O-CB 3.36Å; Q82-W85 PolarHBondContact O-N 2.68Å; W85-L87 PolarHBondContact O-N 3.33Å; W85-N88 WeakPolarHBondContact O-CB 3.42Å; W85-N88 PolarHBondContact O-N 3.14Å; W85-Y89 HydrophobicContact CH2-CD1 4.35Å; W85-Y89 HydrophobicContact CH2-CG 4.23Å; W85-Y89 HydrophobicContact CZ2-CD2 4.36Å; W85-Y89 HydrophobicContact CZ2-CG 4.12Å; W85-Y89 PolarHBondContact O-N 3.24Å; W85-W159 HydrophobicContact CB-CB 4.33Å; W85-W159 HydrophobicContact CB-CD2 4.29Å; W85-W159 HydrophobicContact CB-CE3 3.6Å; W85-W159 HydrophobicContact CB-CZ3 4.34Å; W85-W159 HydrophobicContact CD2-CE3 4.09Å; W85-W159 HydrophobicContact CD2-CZ3 4.05Å; W85-W159 HydrophobicContact CE3-CZ3 4.19Å; W85-W159 AromaticContact CG-CE3 3.63Å; W85-W159 HydrophobicContact CG-CE3 3.63Å; W85-W159 HydrophobicContact CG-CZ3 4.09Å; W85-K163 VanDerWaalsContact CD1-N 3.28Å; W85-D166 HydrophobicContact CZ2-CB 4.36Å; W85-D166 WeakPolarHBondContact CZ2-OD2 3.5Å; W85-D166 PolarHBondContact NE1-OD2 3.04Å; W85-V284 HydrophobicContact CH2-CG1 3.83Å; W85-V284 HydrophobicContact CZ2-CG1 3.9Å; W85-I285 HydrophobicContact CH2-CD1 4.36Å; W85-I285 HydrophobicContact CZ3-CD1 4.03Å; W85-M288 HydrophobicContact CD2-CG 4.16Å; W85-M288 HydrophobicContact CE3-CB 4.16Å; W85-M288 HydrophobicContact CE3-CG 3.35Å; W85-M288 HydrophobicContact CE3-SD 3.33Å; W85-M288 HydrophobicContact CH2-CB 3.45Å; W85-M288 VanDerWaalsContact CH2-CB 3.45Å; W85-M288 HydrophobicContact CH2-CG 3.62Å; W85-M288 HydrophobicContact CH2-SD 4.29Å; W85-M288 HydrophobicContact CZ2-CB 4.28Å; W85-M288 HydrophobicContact CZ2-CG 4.34Å; W85-M288 HydrophobicContact CZ3-CB 3.4Å; W85-M288 VanDerWaalsContact CZ3-CB 3.4Å; W85-M288 HydrophobicContact CZ3-CE 3.96Å; W85-M288 HydrophobicContact CZ3-CG 3.09Å; W85-M288 HydrophobicContact CZ3-SD 3.23Å; W85-M288 WeakPolarHBondContact CZ3-SD 3.31Å
86A91.7Very high87.4Confident0 Ų032.4 Ų32.40%017%0.166CC..Hα-helixtrans-61.6-45.7-174.500000110.8Q82 V83 N88 Y89 L90 Y112 I285 M288Q82-A86 PolarHBondContact O-N 3.15Å; V83-A86 PolarHBondContact O-N 2.9Å; A86-N88 VanDerWaalsContact C-N 3.32Å; A86-N88 PolarHBondContact O-N 3.03Å; A86-Y89 PolarHBondContact O-N 2.81Å; A86-L90 VanDerWaalsContact O-CB 3.32Å; A86-L90 WeakPolarHBondContact O-CB 2.92Å; A86-L90 WeakPolarHBondContact O-CG 3.45Å; A86-L90 PolarHBondContact O-N 3.02Å; A86-Y112 HydrophobicContact CB-CD1 3.57Å; A86-Y112 HydrophobicContact CB-CD2 4.44Å; A86-Y112 HydrophobicContact CB-CE1 3.57Å; A86-Y112 HydrophobicContact CB-CE2 4.48Å; A86-Y112 HydrophobicContact CB-CG 4.03Å; A86-I285 HydrophobicContact CB-CD1 4.34Å; A86-M288 HydrophobicContact CB-SD 4.32Å
87L93.9Very high88Confident23 Ų2330.7 Ų30.712%0.1216%0.158CC..Hα-helixtrans-62.3-37.9175.4-69.6175000112.6V83 W85 N91 M109 V113 N116V83-L87 HydrophobicContact CG1-CD1 4.19Å; V83-L87 WeakPolarHBondContact O-CG 3.5Å; V83-L87 PolarHBondContact O-N 3.26Å; W85-L87 PolarHBondContact O-N 3.33Å; L87-N91 VanDerWaalsContact O-CB 3.27Å; L87-N91 WeakPolarHBondContact O-CB 3.38Å; L87-N91 VanDerWaalsContact O-CG 3.29Å; L87-N91 PolarHBondContact O-N 3.29Å; L87-N91 PolarHBondContact O-ND2 2.96Å; L87-M109 HydrophobicContact CD2-SD 3.8Å; L87-V113 HydrophobicContact CD2-CG2 3.75Å; L87-N116 HydrophobicContact CD1-CB 3.82Å
88N93.8Very high88.7Confident71 Ų7137.9 Ų37.938%0.3819%0.188SC..Hα-helixtrans-66.4-45.6175.4-75.8-47000111.6K84 W85 A86 N91 A92 K163K84-N88 VanDerWaalsContact O-CG 3.29Å; K84-N88 PolarHBondContact O-N 2.9Å; K84-N88 PolarHBondContact O-ND2 3.31Å; W85-N88 WeakPolarHBondContact O-CB 3.42Å; W85-N88 PolarHBondContact O-N 3.14Å; A86-N88 VanDerWaalsContact C-N 3.32Å; A86-N88 PolarHBondContact O-N 3.03Å; N88-N91 PolarHBondContact O-N 2.98Å; N88-A92 WeakPolarHBondContact O-CB 3.3Å; N88-A92 PolarHBondContact O-N 3.2Å; N88-K163 HydrophobicContact CB-CD 3.87Å; N88-K163 HydrophobicContact CB-CG 4.27Å
89Y91.6Very high89.4Confident5 Ų538 Ų382%0.0219%0.188CC..Hα-helixtrans-61.5-50.7177.8176.5-98.7000111.4W85 A86 N91 A92 A93 D166 I170 V281 V284 I285W85-Y89 HydrophobicContact CH2-CD1 4.35Å; W85-Y89 HydrophobicContact CH2-CG 4.23Å; W85-Y89 HydrophobicContact CZ2-CD2 4.36Å; W85-Y89 HydrophobicContact CZ2-CG 4.12Å; W85-Y89 PolarHBondContact O-N 3.24Å; A86-Y89 PolarHBondContact O-N 2.81Å; Y89-N91 PolarHBondContact O-N 3.22Å; Y89-A92 WeakPolarHBondContact O-CB 3.09Å; Y89-A92 PolarHBondContact O-N 3.42Å; Y89-A93 WeakPolarHBondContact O-CB 3.37Å; Y89-A93 PolarHBondContact O-N 2.85Å; Y89-D166 HydrophobicContact CD2-CB 3.69Å; Y89-D166 HydrophobicContact CE2-CB 3.96Å; Y89-I170 HydrophobicContact CD2-CD1 3.72Å; Y89-I170 HydrophobicContact CE2-CD1 3.52Å; Y89-I170 HydrophobicContact CE2-CG1 3.92Å; Y89-V281 HydrophobicContact CE1-CG1 4.47Å; Y89-V281 HydrophobicContact CE1-CG2 4.4Å; Y89-V284 HydrophobicContact CD1-CG1 4.26Å; Y89-V284 HydrophobicContact CD2-CG1 4.2Å; Y89-V284 HydrophobicContact CE1-CB 3.96Å; Y89-V284 HydrophobicContact CE1-CG1 3.77Å; Y89-V284 HydrophobicContact CE2-CB 4.32Å; Y89-V284 HydrophobicContact CE2-CG1 3.68Å; Y89-V284 HydrophobicContact CG-CG1 4.47Å; Y89-V284 VanDerWaalsContact CZ-CG1 3.46Å; Y89-V284 WeakPolarHBondContact OH-CB 3.5Å; Y89-V284 WeakPolarHBondContact OH-CG2 3.37Å; Y89-I285 HydrophobicContact CD1-CD1 4.28Å
90L94.4Very high89.5Confident0 Ų041 Ų410%020%0.203CC..Hα-helixtrans-60.5-43.6178.6-69.3169.8000111.2A86 A92 A93 R94 F105 T108 M109 Y112 V281 I285A86-L90 VanDerWaalsContact O-CB 3.32Å; A86-L90 WeakPolarHBondContact O-CB 2.92Å; A86-L90 WeakPolarHBondContact O-CG 3.45Å; A86-L90 PolarHBondContact O-N 3.02Å; L90-A92 VanDerWaalsContact C-N 3.32Å; L90-A92 PolarHBondContact O-N 3.46Å; L90-A93 PolarHBondContact O-N 2.85Å; L90-R94 WeakPolarHBondContact O-CB 3.49Å; L90-R94 PolarHBondContact O-N 3.26Å; L90-F105 HydrophobicContact CB-CE2 4.35Å; L90-F105 HydrophobicContact CB-CZ 4.06Å; L90-F105 HydrophobicContact CD2-CD2 4.43Å; L90-F105 HydrophobicContact CD2-CE2 3.72Å; L90-F105 HydrophobicContact CD2-CZ 4.21Å; L90-F105 VanDerWaalsContact O-CZ 3.27Å; L90-F105 WeakPolarHBondContact O-CZ 2.93Å; L90-T108 HydrophobicContact CD1-CG2 4.25Å; L90-T108 HydrophobicContact CD2-CG2 4.25Å; L90-M109 HydrophobicContact CB-CE 3.47Å; L90-M109 VanDerWaalsContact CB-CE 3.47Å; L90-M109 HydrophobicContact CB-SD 4.1Å; L90-M109 HydrophobicContact CD1-SD 4.25Å; L90-Y112 HydrophobicContact CD1-CD2 3.87Å; L90-Y112 HydrophobicContact CD1-CG 4.37Å; L90-V281 HydrophobicContact CD2-CG1 3.62Å; L90-I285 HydrophobicContact CD1-CD1 4.38Å; L90-I285 HydrophobicContact CD2-CD1 4.09Å; L90-I285 HydrophobicContact CD2-CG1 4.24Å; L90-I285 HydrophobicContact CG-CD1 4.14Å
91N94.9Very high89.6Confident60 Ų6045.7 Ų45.732%0.32123%0.229SC..Hα-helixtrans-62.2-39.8176.8-81.6-50.9000112.6L87 N88 Y89 R94 S95L87-N91 VanDerWaalsContact O-CB 3.27Å; L87-N91 WeakPolarHBondContact O-CB 3.38Å; L87-N91 VanDerWaalsContact O-CG 3.29Å; L87-N91 PolarHBondContact O-N 3.29Å; L87-N91 PolarHBondContact O-ND2 2.96Å; N88-N91 PolarHBondContact O-N 2.98Å; Y89-N91 PolarHBondContact O-N 3.22Å; N91-R94 PolarHBondContact OD1-NH2 2.95Å; N91-S95 PolarHBondContact O-N 3.29Å; N91-S95 VanDerWaalsContact O-N 3.13Å; N91-S95 PolarHBondContact O-OG 3.32Å
92A91.8Very high89.9Confident19 Ų1949.6 Ų49.616%0.15725%0.247CC..Hα-helixtrans-64.1-50.5174.400000111N88 Y89 L90 R94 S95 T96 L167 I170N88-A92 WeakPolarHBondContact O-CB 3.3Å; N88-A92 PolarHBondContact O-N 3.2Å; Y89-A92 WeakPolarHBondContact O-CB 3.09Å; Y89-A92 PolarHBondContact O-N 3.42Å; L90-A92 VanDerWaalsContact C-N 3.32Å; L90-A92 PolarHBondContact O-N 3.46Å; A92-R94 VanDerWaalsContact C-N 3.33Å; A92-R94 PolarHBondContact O-N 3.14Å; A92-S95 PolarHBondContact O-N 2.82Å; A92-S95 VanDerWaalsContact O-N 3.09Å; A92-S95 PolarHBondContact O-OG 3.14Å; A92-T96 WeakPolarHBondContact O-CB 3.1Å; A92-T96 PolarHBondContact O-N 3Å; A92-T96 PolarHBondContact O-OG1 3.29Å; A92-T96 VanDerWaalsContact O-OG1 3.04Å; A92-L167 HydrophobicContact CB-CD2 3.29Å; A92-I170 HydrophobicContact CB-CD1 3.77Å
93A90.1Very high90.3Very high0 Ų054.7 Ų54.70%028%0.275CS..Hα-helixtrans-57.7-43.3177.800000112.3Y89 L90 S95 T96 W97 L99 F105 I170 V281Y89-A93 WeakPolarHBondContact O-CB 3.37Å; Y89-A93 PolarHBondContact O-N 2.85Å; L90-A93 PolarHBondContact O-N 2.85Å; A93-S95 VanDerWaalsContact C-N 3.34Å; A93-S95 PolarHBondContact O-N 3.21Å; A93-T96 PolarHBondContact O-N 2.96Å; A93-W97 HydrophobicContact CB-CE3 3.95Å; A93-W97 HydrophobicContact CB-CZ3 4.02Å; A93-W97 PolarHBondContact O-N 2.78Å; A93-L99 HydrophobicContact CB-CD1 4.48Å; A93-F105 HydrophobicContact CB-CE2 4.5Å; A93-I170 HydrophobicContact CB-CD1 4.24Å; A93-V281 HydrophobicContact CB-CG2 3.73Å
94R92Very high90.4Very high110 Ų11059.7 Ų59.742%0.41530%0.299SS..Hα-helixtrans-54-51173.5-175.2178.361.7173.1-1.1111.2L90 N91 A92 K98 L99 F105L90-R94 WeakPolarHBondContact O-CB 3.49Å; L90-R94 PolarHBondContact O-N 3.26Å; N91-R94 PolarHBondContact OD1-NH2 2.95Å; A92-R94 VanDerWaalsContact C-N 3.33Å; A92-R94 PolarHBondContact O-N 3.14Å; R94-K98 VanDerWaalsContact O-CA 3.32Å; R94-K98 WeakPolarHBondContact O-CA 3.35Å; R94-K98 PolarHBondContact O-N 2.82Å; R94-L99 PolarHBondContact O-N 3Å; R94-F105 HydrophobicContact CB-CE1 3.76Å; R94-F105 HydrophobicContact CB-CZ 3.63Å; R94-F105 HydrophobicContact CG-CE1 3.96Å; R94-F105 HydrophobicContact CG-CZ 4.35Å
95S89.2Confident90.5Very high89 Ų8955.6 Ų55.662%0.62228%0.281SS*.Hα-helixtrans-69.6-38.9-177.168.70000113.1N91 A92 A93N91-S95 PolarHBondContact O-N 3.29Å; N91-S95 VanDerWaalsContact O-N 3.13Å; N91-S95 PolarHBondContact O-OG 3.32Å; A92-S95 PolarHBondContact O-N 2.82Å; A92-S95 VanDerWaalsContact O-N 3.09Å; A92-S95 PolarHBondContact O-OG 3.14Å; A93-S95 VanDerWaalsContact C-N 3.34Å; A93-S95 PolarHBondContact O-N 3.21Å
96T87.6Confident90.6Very high42 Ų4259.5 Ų59.526%0.25830%0.298SS..Hα-helixtrans-77.8-40.3-175.6-55.50000112A92 A93 I170 N174A92-T96 WeakPolarHBondContact O-CB 3.1Å; A92-T96 PolarHBondContact O-N 3Å; A92-T96 PolarHBondContact O-OG1 3.29Å; A92-T96 VanDerWaalsContact O-OG1 3.04Å; A93-T96 PolarHBondContact O-N 2.96Å; T96-I170 HydrophobicContact CG2-CG2 3.71Å; T96-I170 WeakPolarHBondContact OG1-CG2 3.42Å; T96-N174 HydrophobicContact CG2-CB 3.74Å
97W87.8Confident90.7Very high28 Ų2867.3 Ų67.311%0.10633%0.332CS..Hα-helixtrans-111.110-173.2-56.1-35.2000114.4A93 L99 I170 L173 P277 R280 V281A93-W97 HydrophobicContact CB-CE3 3.95Å; A93-W97 HydrophobicContact CB-CZ3 4.02Å; A93-W97 PolarHBondContact O-N 2.78Å; W97-L99 HydrophobicContact CB-CD1 4.38Å; W97-L99 HydrophobicContact CB-CD2 4.27Å; W97-L99 HydrophobicContact CB-CG 4.04Å; W97-L99 HydrophobicContact CE3-CD1 4.26Å; W97-L99 PolarHBondContact O-N 3.2Å; W97-I170 HydrophobicContact CH2-CG1 4.04Å; W97-I170 HydrophobicContact CZ2-CG1 4.22Å; W97-I170 HydrophobicContact CZ2-CG2 4.42Å; W97-L173 HydrophobicContact CH2-CD1 4.3Å; W97-L173 HydrophobicContact CZ2-CB 4.25Å; W97-L173 HydrophobicContact CZ2-CD1 4.01Å; W97-P277 HydrophobicContact CB-CB 3.71Å; W97-P277 HydrophobicContact CB-CG 4.11Å; W97-P277 HydrophobicContact CD2-CB 4.04Å; W97-P277 HydrophobicContact CE3-CB 4.01Å; W97-P277 HydrophobicContact CG-CB 3.95Å; W97-P277 HydrophobicContact CG-CG 4.24Å; W97-R280 HydrophobicContact CH2-CB 3.8Å; W97-R280 HydrophobicContact CH2-CG 4.33Å; W97-R280 HydrophobicContact CZ3-CB 3.81Å; W97-V281 HydrophobicContact CE3-CG2 4.13Å; W97-V281 HydrophobicContact CZ3-CG2 3.86Å
98K88.2Confident90.6Very high163 Ų16367.9 Ų67.971%0.70934%0.336SS*.THydrogen-bonded Turntrans53.948.4175.3-57.3-178.8-179.5178.20113.6R94 E100R94-K98 VanDerWaalsContact O-CA 3.32Å; R94-K98 WeakPolarHBondContact O-CA 3.35Å; R94-K98 PolarHBondContact O-N 2.82Å; K98-E100 VanDerWaalsContact C-N 3.27Å; K98-E100 WeakPolarHBondContact CA-OE2 3.46Å; K98-E100 PolarHBondContact O-N 2.77Å
99L89Confident90.5Very high8 Ų865.5 Ų65.54%0.04232%0.323CS..  trans-86.411.5-176.6-56.2178000113.5A93 R94 W97 N101 E102 F105 P277 V281A93-L99 HydrophobicContact CB-CD1 4.48Å; R94-L99 PolarHBondContact O-N 3Å; W97-L99 HydrophobicContact CB-CD1 4.38Å; W97-L99 HydrophobicContact CB-CD2 4.27Å; W97-L99 HydrophobicContact CB-CG 4.04Å; W97-L99 HydrophobicContact CE3-CD1 4.26Å; W97-L99 PolarHBondContact O-N 3.2Å; L99-N101 PolarHBondContact O-N 3.27Å; L99-N101 VanDerWaalsContact O-N 3.14Å; L99-E102 HydrophobicContact CB-CG 4.44Å; L99-E102 HydrophobicContact CD2-CG 4.01Å; L99-E102 PolarHBondContact O-N 2.89Å; L99-F105 HydrophobicContact CB-CB 4.19Å; L99-F105 HydrophobicContact CB-CD1 4.03Å; L99-F105 HydrophobicContact CB-CD2 3.82Å; L99-F105 HydrophobicContact CB-CE1 4.48Å; L99-F105 HydrophobicContact CB-CE2 4.27Å; L99-F105 HydrophobicContact CB-CG 3.71Å; L99-F105 HydrophobicContact CD1-CD2 3.62Å; L99-F105 HydrophobicContact CD1-CE2 3.91Å; L99-F105 HydrophobicContact CD1-CG 4.34Å; L99-F105 HydrophobicContact CG-CD2 4.37Å; L99-F105 WeakPolarHBondContact O-CD1 3.05Å; L99-P277 HydrophobicContact CD2-CB 3.84Å; L99-V281 HydrophobicContact CD1-CG2 3.75Å
100E83.3Confident90.6Very high93 Ų9369 Ų6944%0.43535%0.349SS..THydrogen-bonded Turntrans-60.3-25.2-17559.6-86.7-167.400114.4K98 K106K98-E100 VanDerWaalsContact C-N 3.27Å; K98-E100 WeakPolarHBondContact CA-OE2 3.46Å; K98-E100 PolarHBondContact O-N 2.77Å; E100-K106 WeakPolarHBondContact O-CE 3.23Å
101N86Confident90.5Very high121 Ų12172.5 Ų72.565%0.64737%0.373SS*.THydrogen-bonded Turntrans-100.2-9.4-178.1-67.5-42.6000113.6L99 D103 K106L99-N101 PolarHBondContact O-N 3.27Å; L99-N101 VanDerWaalsContact O-N 3.14Å; N101-D103 PolarHBondContact O-N 3.14Å; N101-K106 PolarHBondContact O-NZ 3.09Å
102E89.7Confident90.4Very high101 Ų10170.4 Ų70.447%0.47236%0.361SS..  trans-72.6115.9-179.7-68.7-61.8157.800110.8L99 M104 F105 K106L99-E102 HydrophobicContact CB-CG 4.44Å; L99-E102 HydrophobicContact CD2-CG 4.01Å; L99-E102 PolarHBondContact O-N 2.89Å; E102-M104 VanDerWaalsContact C-N 3.3Å; E102-M104 PolarHBondContact O-N 2.9Å; E102-F105 HydrophobicContact CB-CB 3.75Å; E102-F105 WeakPolarHBondContact O-CB 3.42Å; E102-F105 PolarHBondContact O-N 2.84Å; E102-F105 VanDerWaalsContact O-N 3.1Å; E102-K106 WeakPolarHBondContact O-CG 3.33Å; E102-K106 PolarHBondContact O-N 3.12Å
103D92.8Very high90.5Very high121 Ų12172.1 Ų72.165%0.64737%0.369SS*.Hα-helixtrans-63.1-37.7-174.1-73.2-21.4000112.5N101 F105 K106 K107N101-D103 PolarHBondContact O-N 3.14Å; D103-F105 VanDerWaalsContact C-N 3.34Å; D103-K106 PolarHBondContact O-N 3.38Å; D103-K106 IonicContact OD1-NZ 3.35Å; D103-K106 PolarHBondContact OD1-NZ 3.49Å; D103-K107 PolarHBondContact O-N 3.1Å
104M90Very high90.5Very high107 Ų10773.8 Ų73.853%0.52739%0.386SS..Hα-helixtrans-63.5-42.4175.2-166.4-179.7-67.800111.2E102 K107 T108 M278 I282E102-M104 VanDerWaalsContact C-N 3.3Å; E102-M104 PolarHBondContact O-N 2.9Å; M104-K107 PolarHBondContact O-N 3.35Å; M104-T108 PolarHBondContact O-N 2.99Å; M104-T108 PolarHBondContact O-OG1 3.4Å; M104-M278 HydrophobicContact CB-CE 4.04Å; M104-M278 HydrophobicContact CG-CE 3.8Å; M104-M278 HydrophobicContact SD-CE 4Å; M104-M278 HydrophobicContact SD-CG 4.42Å; M104-I282 HydrophobicContact SD-CD1 3.5Å; M104-I282 VanDerWaalsContact SD-CD1 3.5Å; M104-I282 HydrophobicContact SD-CG1 4.31Å
105F92.8Very high90.3Very high3 Ų370.6 Ų70.61%0.01338%0.379CS..Hα-helixtrans-62.4-45.4176.1-175.6-89.6000111.8L90 A93 R94 L99 E102 D103 K107 T108 M109 M278 V281L90-F105 HydrophobicContact CB-CE2 4.35Å; L90-F105 HydrophobicContact CB-CZ 4.06Å; L90-F105 HydrophobicContact CD2-CD2 4.43Å; L90-F105 HydrophobicContact CD2-CE2 3.72Å; L90-F105 HydrophobicContact CD2-CZ 4.21Å; L90-F105 VanDerWaalsContact O-CZ 3.27Å; L90-F105 WeakPolarHBondContact O-CZ 2.93Å; A93-F105 HydrophobicContact CB-CE2 4.5Å; R94-F105 HydrophobicContact CB-CE1 3.76Å; R94-F105 HydrophobicContact CB-CZ 3.63Å; R94-F105 HydrophobicContact CG-CE1 3.96Å; R94-F105 HydrophobicContact CG-CZ 4.35Å; L99-F105 HydrophobicContact CB-CB 4.19Å; L99-F105 HydrophobicContact CB-CD1 4.03Å; L99-F105 HydrophobicContact CB-CD2 3.82Å; L99-F105 HydrophobicContact CB-CE1 4.48Å; L99-F105 HydrophobicContact CB-CE2 4.27Å; L99-F105 HydrophobicContact CB-CG 3.71Å; L99-F105 HydrophobicContact CD1-CD2 3.62Å; L99-F105 HydrophobicContact CD1-CE2 3.91Å; L99-F105 HydrophobicContact CD1-CG 4.34Å; L99-F105 HydrophobicContact CG-CD2 4.37Å; L99-F105 WeakPolarHBondContact O-CD1 3.05Å; E102-F105 HydrophobicContact CB-CB 3.75Å; E102-F105 WeakPolarHBondContact O-CB 3.42Å; E102-F105 PolarHBondContact O-N 2.84Å; E102-F105 VanDerWaalsContact O-N 3.1Å; D103-F105 VanDerWaalsContact C-N 3.34Å; F105-K107 VanDerWaalsContact C-N 3.29Å; F105-K107 PolarHBondContact O-N 2.7Å; F105-T108 PolarHBondContact O-N 3.34Å; F105-M109 HydrophobicContact CE1-CB 4.37Å; F105-M109 HydrophobicContact CE1-CE 4.08Å; F105-M109 HydrophobicContact CZ-CE 3.97Å; F105-M109 WeakPolarHBondContact O-CB 3.21Å; F105-M109 PolarHBondContact O-N 3.16Å; F105-M278 HydrophobicContact CB-CE 4.29Å; F105-M278 HydrophobicContact CB-SD 3.84Å; F105-M278 HydrophobicContact CD2-SD 4.32Å; F105-V281 HydrophobicContact CD2-CG1 4.3Å; F105-V281 HydrophobicContact CE2-CG1 4.36Å; F105-V281 HydrophobicContact CE2-CG2 4.44Å
106K93Very high90.3Very high85 Ų8569.5 Ų69.537%0.3737%0.366SS..Hα-helixtrans-58.9-41.2176.2-69.2172.3-169.3157.30111.8E100 N101 E102 D103 S110E100-K106 WeakPolarHBondContact O-CE 3.23Å; N101-K106 PolarHBondContact O-NZ 3.09Å; E102-K106 WeakPolarHBondContact O-CG 3.33Å; E102-K106 PolarHBondContact O-N 3.12Å; D103-K106 PolarHBondContact O-N 3.38Å; D103-K106 IonicContact OD1-NZ 3.35Å; D103-K106 PolarHBondContact OD1-NZ 3.49Å; K106-S110 VanDerWaalsContact O-CB 3.28Å; K106-S110 WeakPolarHBondContact O-CB 3.32Å; K106-S110 PolarHBondContact O-N 3.36Å; K106-S110 PolarHBondContact O-OG 3.38Å
107K93Very high90.4Very high165 Ų16575.5 Ų75.572%0.71739%0.389SS*.Hα-helixtrans-63.5-49.4177.6-172.4-178.4178-173.70111.1D103 M104 F105 S110 S111D103-K107 PolarHBondContact O-N 3.1Å; M104-K107 PolarHBondContact O-N 3.35Å; F105-K107 VanDerWaalsContact C-N 3.29Å; F105-K107 PolarHBondContact O-N 2.7Å; K107-S110 PolarHBondContact O-N 2.94Å; K107-S111 PolarHBondContact O-N 3.32Å
108T91Very high90.3Very high34 Ų3479.1 Ų79.121%0.20941%0.414CS..Hα-helixtrans-60-49.3177.3-57.10000111.2L90 M104 F105 S110 S111 Y112L90-T108 HydrophobicContact CD1-CG2 4.25Å; L90-T108 HydrophobicContact CD2-CG2 4.25Å; M104-T108 PolarHBondContact O-N 2.99Å; M104-T108 PolarHBondContact O-OG1 3.4Å; F105-T108 PolarHBondContact O-N 3.34Å; T108-S110 VanDerWaalsContact C-N 3.35Å; T108-S110 PolarHBondContact O-N 2.87Å; T108-S111 WeakPolarHBondContact O-CB 3.11Å; T108-S111 PolarHBondContact O-N 2.99Å; T108-Y112 HydrophobicContact CG2-CD2 4.05Å; T108-Y112 HydrophobicContact CG2-CE2 3.99Å; T108-Y112 WeakPolarHBondContact O-CD2 3.49Å; T108-Y112 PolarHBondContact O-N 2.78Å
109M93.3Very high89.9Confident21 Ų2172.4 Ų72.410%0.10339%0.385CS..Hα-helixtrans-57.5-46176.7-179.76685.800112.1L87 L90 F105 S111 Y112 V113L87-M109 HydrophobicContact CD2-SD 3.8Å; L90-M109 HydrophobicContact CB-CE 3.47Å; L90-M109 VanDerWaalsContact CB-CE 3.47Å; L90-M109 HydrophobicContact CB-SD 4.1Å; L90-M109 HydrophobicContact CD1-SD 4.25Å; F105-M109 HydrophobicContact CE1-CB 4.37Å; F105-M109 HydrophobicContact CE1-CE 4.08Å; F105-M109 HydrophobicContact CZ-CE 3.97Å; F105-M109 WeakPolarHBondContact O-CB 3.21Å; F105-M109 PolarHBondContact O-N 3.16Å; M109-S111 VanDerWaalsContact C-N 3.3Å; M109-S111 PolarHBondContact O-N 2.84Å; M109-Y112 PolarHBondContact O-N 3.16Å; M109-V113 HydrophobicContact CG-CG2 4.41Å; M109-V113 VanDerWaalsContact O-CG2 3.31Å; M109-V113 WeakPolarHBondContact O-CG2 3.35Å; M109-V113 PolarHBondContact O-N 3.04Å; M109-V113 HydrophobicContact SD-CG2 4.33Å
110S93.8Very high89.3Confident79 Ų7975.3 Ų75.355%0.55240%0.403SS*.Hα-helixtrans-63.8-36.4-180-59.70000112.2K106 K107 T108 V113 G114K106-S110 VanDerWaalsContact O-CB 3.28Å; K106-S110 WeakPolarHBondContact O-CB 3.32Å; K106-S110 PolarHBondContact O-N 3.36Å; K106-S110 PolarHBondContact O-OG 3.38Å; K107-S110 PolarHBondContact O-N 2.94Å; T108-S110 VanDerWaalsContact C-N 3.35Å; T108-S110 PolarHBondContact O-N 2.87Å; S110-V113 PolarHBondContact O-N 3.01Å; S110-G114 PolarHBondContact O-N 2.95Å
111S92.2Very high88.7Confident73 Ų7375 Ų7551%0.5141%0.41SS..Hα-helixtrans-58.2-55.2173.9-171.30000111K107 T108 M109 V113 G114 V115K107-S111 PolarHBondContact O-N 3.32Å; T108-S111 WeakPolarHBondContact O-CB 3.11Å; T108-S111 PolarHBondContact O-N 2.99Å; M109-S111 VanDerWaalsContact C-N 3.3Å; M109-S111 PolarHBondContact O-N 2.84Å; S111-V113 VanDerWaalsContact C-N 3.34Å; S111-V113 PolarHBondContact O-N 3.34Å; S111-G114 WeakPolarHBondContact O-CA 3.47Å; S111-G114 PolarHBondContact O-N 3.44Å; S111-V115 WeakPolarHBondContact O-CG2 3.21Å; S111-V115 PolarHBondContact O-N 3.05Å
112Y92.9Very high87.9Confident16 Ų1673.2 Ų73.26%0.06340%0.4CS..Hα-helixtrans-64.9-34.4179.9-80-77.4000113.4V83 A86 L90 T108 M109 G114 V115 N116 I285 M288 E289V83-Y112 HydrophobicContact CG1-CD1 4.42Å; V83-Y112 HydrophobicContact CG2-CD1 4.39Å; A86-Y112 HydrophobicContact CB-CD1 3.57Å; A86-Y112 HydrophobicContact CB-CD2 4.44Å; A86-Y112 HydrophobicContact CB-CE1 3.57Å; A86-Y112 HydrophobicContact CB-CE2 4.48Å; A86-Y112 HydrophobicContact CB-CG 4.03Å; L90-Y112 HydrophobicContact CD1-CD2 3.87Å; L90-Y112 HydrophobicContact CD1-CG 4.37Å; T108-Y112 HydrophobicContact CG2-CD2 4.05Å; T108-Y112 HydrophobicContact CG2-CE2 3.99Å; T108-Y112 WeakPolarHBondContact O-CD2 3.49Å; T108-Y112 PolarHBondContact O-N 2.78Å; M109-Y112 PolarHBondContact O-N 3.16Å; Y112-G114 VanDerWaalsContact C-N 3.3Å; Y112-G114 PolarHBondContact O-N 3.08Å; Y112-V115 PolarHBondContact O-N 2.96Å; Y112-N116 VanDerWaalsContact O-CB 3.28Å; Y112-N116 WeakPolarHBondContact O-CB 3.47Å; Y112-N116 PolarHBondContact O-N 3.19Å; Y112-I285 HydrophobicContact CE2-CD1 4.29Å; Y112-I285 HydrophobicContact CE2-CG2 4.09Å; Y112-M288 HydrophobicContact CE1-CE 4.25Å; Y112-M288 WeakPolarHBondContact OH-CE 3.31Å; Y112-E289 VanDerWaalsContact OH-CD 3.25Å; Y112-E289 WeakPolarHBondContact OH-CG 3.27Å; Y112-E289 PolarHBondContact OH-OE1 3.36Å
113V92.9Very high86.9Confident56 Ų5670.2 Ų70.234%0.33939%0.385SS..Hα-helixtrans-64.2-37.7171.8169.20000111.1L87 M109 S110 S111 K117L87-V113 HydrophobicContact CD2-CG2 3.75Å; M109-V113 HydrophobicContact CG-CG2 4.41Å; M109-V113 VanDerWaalsContact O-CG2 3.31Å; M109-V113 WeakPolarHBondContact O-CG2 3.35Å; M109-V113 PolarHBondContact O-N 3.04Å; M109-V113 HydrophobicContact SD-CG2 4.33Å; S110-V113 PolarHBondContact O-N 3.01Å; S111-V113 VanDerWaalsContact C-N 3.34Å; S111-V113 PolarHBondContact O-N 3.34Å; V113-K117 WeakPolarHBondContact O-CG 3.4Å; V113-K117 PolarHBondContact O-N 2.9Å
114G90.6Very high85.7Confident34 Ų3465 Ų6535%0.35136%0.358SS..Hα-helixtrans-61.6-54.1173.300000111.9S110 S111 Y112 N116 K117 T118S110-G114 PolarHBondContact O-N 2.95Å; S111-G114 WeakPolarHBondContact O-CA 3.47Å; S111-G114 PolarHBondContact O-N 3.44Å; Y112-G114 VanDerWaalsContact C-N 3.3Å; Y112-G114 PolarHBondContact O-N 3.08Å; G114-N116 VanDerWaalsContact C-N 3.28Å; G114-N116 PolarHBondContact O-N 2.86Å; G114-K117 WeakPolarHBondContact O-CB 3.29Å; G114-K117 PolarHBondContact O-N 3.36Å; G114-T118 PolarHBondContact O-N 3.43Å
115V88.4Confident84.6Confident44 Ų4465 Ų6527%0.26736%0.355SS..Hα-helixtrans-58.7-40.8178.2-178.40000111.1V83 S111 Y112 K117 T118 I119V83-V115 HydrophobicContact CG2-CB 4.33Å; V83-V115 HydrophobicContact CG2-CG1 3.65Å; S111-V115 WeakPolarHBondContact O-CG2 3.21Å; S111-V115 PolarHBondContact O-N 3.05Å; Y112-V115 PolarHBondContact O-N 2.96Å; V115-K117 PolarHBondContact O-N 3.39Å; V115-T118 PolarHBondContact O-N 2.95Å; V115-T118 PolarHBondContact O-OG1 2.95Å; V115-I119 PolarHBondContact O-N 3.09Å; V115-I119 VanDerWaalsContact O-N 3.17Å
116N89Confident83.6Confident65 Ų6566.7 Ų66.735%0.34837%0.366SS..Hα-helixtrans-59.5-30.4177.9-169.261.1000113.6V83 L87 Y112 G114 T118V83-N116 HydrophobicContact CG1-CB 3.58Å; L87-N116 HydrophobicContact CD1-CB 3.82Å; Y112-N116 VanDerWaalsContact O-CB 3.28Å; Y112-N116 WeakPolarHBondContact O-CB 3.47Å; Y112-N116 PolarHBondContact O-N 3.19Å; G114-N116 VanDerWaalsContact C-N 3.28Å; G114-N116 PolarHBondContact O-N 2.86Å; N116-T118 VanDerWaalsContact C-N 3.33Å
117K88Confident82.2Confident169 Ų16964 Ų6474%0.73536%0.355SS*.Hα-helixtrans-77.5-19.6176.7-67.6169.5-176.6178.90112.9V113 G114 V115V113-K117 WeakPolarHBondContact O-CG 3.4Å; V113-K117 PolarHBondContact O-N 2.9Å; G114-K117 WeakPolarHBondContact O-CB 3.29Å; G114-K117 PolarHBondContact O-N 3.36Å; V115-K117 PolarHBondContact O-N 3.39Å
118T85.7Confident80.5Confident103 Ų10357.2 Ų57.263%0.63233%0.327SS*.Hα-helixtrans-97.4-8.9-179.661.70000113.3G114 V115 N116 V120G114-T118 PolarHBondContact O-N 3.43Å; V115-T118 PolarHBondContact O-N 2.95Å; V115-T118 PolarHBondContact O-OG1 2.95Å; N116-T118 VanDerWaalsContact C-N 3.33Å; T118-V120 PolarHBondContact O-N 2.85Å
119I81.4Confident79Confident22 Ų2261.5 Ų61.511%0.11334%0.344CS..  trans-62.6127176.1-72.7167.7000109.7E80 V83 V115 P121E80-I119 HydrophobicContact CB-CG2 3.88Å; E80-I119 HydrophobicContact CG-CG2 3.96Å; V83-I119 HydrophobicContact CB-CD1 3.65Å; V83-I119 HydrophobicContact CG1-CD1 3.93Å; V83-I119 HydrophobicContact CG2-CD1 3.8Å; V115-I119 PolarHBondContact O-N 3.09Å; V115-I119 VanDerWaalsContact O-N 3.17Å; I119-P121 WeakPolarHBondContact O-CD 3.41Å
120V75.3Confident77.5Confident69 Ų6967.1 Ų67.142%0.41837%0.37SS..  trans-85.1113.7171.7178.90000108.6T118 N122 F123 T126T118-V120 PolarHBondContact O-N 2.85Å; V120-N122 PolarHBondContact O-N 3.28Å; V120-F123 HydrophobicContact CB-CB 4.44Å; V120-F123 HydrophobicContact CB-CD2 4.3Å; V120-F123 PolarHBondContact O-N 3.45Å; V120-T126 HydrophobicContact CG1-CG2 4.3Å
121P70.7Confident75.8Confident88 Ų8864.3 Ų64.357%0.57135%0.35SS*.THydrogen-bonded Turntrans-61.1139176.6-21.433.7000110.9I119 F123I119-P121 WeakPolarHBondContact O-CD 3.41Å; P121-F123 PolarHBondContact O-N 2.83Å
122N69.5Low73.7Confident82 Ų8264.9 Ų64.944%0.43936%0.355SS..THydrogen-bonded Turntrans55.236.8-177.4-55.6-42.1000113.1V120 C124 K125 T126 K152V120-N122 PolarHBondContact O-N 3.28Å; N122-C124 PolarHBondContact O-N 2.95Å; N122-K125 HydrophobicContact CB-CB 4.27Å; N122-K125 WeakPolarHBondContact O-CA 3.46Å; N122-K125 WeakPolarHBondContact O-CB 3.02Å; N122-K125 PolarHBondContact O-N 3.46Å; N122-T126 PolarHBondContact O-N 2.95Å; N122-K152 PolarHBondContact OD1-NZ 3.26Å
123F68.3Low71.7Confident38 Ų3869 Ų6917%0.16739%0.391CS..Hα-helixtrans-43.9-42.2-179.7174.6-92.2000113.7K76 V120 P121 K125 T126 M127K76-F123 HydrophobicContact CB-CB 4.04Å; K76-F123 HydrophobicContact CB-CD1 3.05Å; K76-F123 HydrophobicContact CB-CD2 4.1Å; K76-F123 HydrophobicContact CB-CE1 3.3Å; K76-F123 HydrophobicContact CB-CE2 4.33Å; K76-F123 HydrophobicContact CB-CG 3.46Å; K76-F123 VanDerWaalsContact CB-CG 3.46Å; K76-F123 HydrophobicContact CB-CZ 3.96Å; K76-F123 HydrophobicContact CD-CE2 4.49Å; K76-F123 HydrophobicContact CG-CD1 3.61Å; K76-F123 HydrophobicContact CG-CD2 4.05Å; K76-F123 HydrophobicContact CG-CE1 3.34Å; K76-F123 HydrophobicContact CG-CE2 3.86Å; K76-F123 HydrophobicContact CG-CG 3.92Å; K76-F123 HydrophobicContact CG-CZ 3.48Å; K76-F123 VanDerWaalsContact CG-CZ 3.48Å; V120-F123 HydrophobicContact CB-CB 4.44Å; V120-F123 HydrophobicContact CB-CD2 4.3Å; V120-F123 PolarHBondContact O-N 3.45Å; P121-F123 PolarHBondContact O-N 2.83Å; F123-K125 VanDerWaalsContact C-N 3.29Å; F123-K125 PolarHBondContact O-N 2.88Å; F123-T126 WeakPolarHBondContact O-CB 3.39Å; F123-T126 PolarHBondContact O-N 3.17Å; F123-M127 HydrophobicContact CD1-CG 4.27Å; F123-M127 HydrophobicContact CD1-SD 4.21Å; F123-M127 HydrophobicContact CE1-CB 4.32Å; F123-M127 HydrophobicContact CE1-CG 3.53Å; F123-M127 HydrophobicContact CE1-SD 3.12Å; F123-M127 WeakPolarHBondContact CE1-SD 3.42Å; F123-M127 HydrophobicContact CE2-CG 4Å; F123-M127 HydrophobicContact CE2-SD 4.39Å; F123-M127 HydrophobicContact CZ-CB 4.49Å; F123-M127 HydrophobicContact CZ-CG 3.35Å; F123-M127 HydrophobicContact CZ-SD 3.23Å; F123-M127 WeakPolarHBondContact CZ-SD 2.97Å; F123-M127 PolarHBondContact O-N 3.12Å
124C67.8Low70.2Confident11 Ų1170.9 Ų70.97%0.07439%0.393CS..Hα-helixtrans-53.9-44.4176.8-169.10000111.9I73 N122 L128 C148I73-C124 HydrophobicContact CG2-CB 4.14Å; I73-C124 WeakPolarHBondContact CG2-SG 3.12Å; N122-C124 PolarHBondContact O-N 2.95Å; C124-L128 WeakPolarHBondContact O-CD1 3.31Å; C124-L128 WeakPolarHBondContact O-CG 3.21Å; C124-L128 PolarHBondContact O-N 3.14Å; C124-C148 HydrophobicContact CB-CB 3.59Å; C124-C148 WeakPolarHBondContact CB-SG 3.49Å; C124-C148 VanDerWaalsContact SG-CA 3.53Å; C124-C148 WeakPolarHBondContact SG-CB 2.96Å; C124-C148 CovalentContact SG-SG 2.01Å; C124-C148 PolarHBondContact SG-SG 3.31Å
125K67.7Low68.9Low107 Ų10777.6 Ų77.647%0.46542%0.421SS..Hα-helixtrans-66.6-41.3174.7-170.9176.6-179.6176.80112.2N122 F123 L128 Q129N122-K125 HydrophobicContact CB-CB 4.27Å; N122-K125 WeakPolarHBondContact O-CA 3.46Å; N122-K125 WeakPolarHBondContact O-CB 3.02Å; N122-K125 PolarHBondContact O-N 3.46Å; F123-K125 VanDerWaalsContact C-N 3.29Å; F123-K125 PolarHBondContact O-N 2.88Å; K125-L128 PolarHBondContact O-N 2.93Å; K125-Q129 WeakPolarHBondContact O-CG 3.43Å; K125-Q129 PolarHBondContact O-N 2.88Å
126T70.5Confident67.8Low39 Ų3977.1 Ų77.124%0.23941%0.414CS..Hα-helixtrans-63.1-44178.9-53.60000111.9V120 N122 F123 L128 Q129 Q130V120-T126 HydrophobicContact CG1-CG2 4.3Å; N122-T126 PolarHBondContact O-N 2.95Å; F123-T126 WeakPolarHBondContact O-CB 3.39Å; F123-T126 PolarHBondContact O-N 3.17Å; T126-L128 PolarHBondContact O-N 2.87Å; T126-Q129 PolarHBondContact O-N 3.38Å; T126-Q130 WeakPolarHBondContact O-CG 3.45Å; T126-Q130 PolarHBondContact O-N 3Å
127M64.8Low67.2Low28 Ų2878 Ų7814%0.13842%0.419CS..Hα-helixtrans-59.5-36.3175-105-164.660.300112.3E69 N72 I73 F123 Q130 S131E69-M127 HydrophobicContact CB-CE 4.33Å; E69-M127 HydrophobicContact CG-CE 4.48Å; N72-M127 HydrophobicContact CB-CE 4.49Å; N72-M127 HydrophobicContact CB-SD 4.05Å; I73-M127 HydrophobicContact CD1-CE 3.92Å; I73-M127 HydrophobicContact CG1-CE 3.57Å; I73-M127 HydrophobicContact CG1-SD 3.73Å; F123-M127 HydrophobicContact CD1-CG 4.27Å; F123-M127 HydrophobicContact CD1-SD 4.21Å; F123-M127 HydrophobicContact CE1-CB 4.32Å; F123-M127 HydrophobicContact CE1-CG 3.53Å; F123-M127 HydrophobicContact CE1-SD 3.12Å; F123-M127 WeakPolarHBondContact CE1-SD 3.42Å; F123-M127 HydrophobicContact CE2-CG 4Å; F123-M127 HydrophobicContact CE2-SD 4.39Å; F123-M127 HydrophobicContact CZ-CB 4.49Å; F123-M127 HydrophobicContact CZ-CG 3.35Å; F123-M127 HydrophobicContact CZ-SD 3.23Å; F123-M127 WeakPolarHBondContact CZ-SD 2.97Å; F123-M127 PolarHBondContact O-N 3.12Å; M127-Q130 CarbonylContact O-C 3.1Å; M127-Q130 PolarHBondContact O-N 3.24Å; M127-S131 WeakPolarHBondContact O-CB 3.38Å; M127-S131 PolarHBondContact O-N 3.24Å
128L56.4Low66.7Low24 Ų2474.1 Ų74.113%0.12641%0.41CS..Hα-helixtrans-74.9-32.5178.8-62.5164.5000113F65 C124 K125 T126 Q130 S131 I144 C148F65-L128 HydrophobicContact CE1-CD2 4.09Å; F65-L128 HydrophobicContact CZ-CD2 3.94Å; C124-L128 WeakPolarHBondContact O-CD1 3.31Å; C124-L128 WeakPolarHBondContact O-CG 3.21Å; C124-L128 PolarHBondContact O-N 3.14Å; K125-L128 PolarHBondContact O-N 2.93Å; T126-L128 PolarHBondContact O-N 2.87Å; L128-Q130 VanDerWaalsContact C-N 3.28Å; L128-S131 PolarHBondContact O-OG 3.26Å; L128-S131 VanDerWaalsContact O-OG 3.06Å; L128-I144 HydrophobicContact CD1-CB 3.68Å; L128-I144 HydrophobicContact CD1-CD1 4.4Å; L128-I144 HydrophobicContact CD1-CG2 3.15Å; L128-I144 HydrophobicContact CD2-CB 4.32Å; L128-I144 HydrophobicContact CD2-CD1 3.84Å; L128-I144 HydrophobicContact CD2-CG1 4.47Å; L128-I144 HydrophobicContact CD2-CG2 3.56Å; L128-I144 HydrophobicContact CG-CG2 3.92Å; L128-C148 VanDerWaalsContact CD1-SG 3.53Å
129Q59.1Low65.9Low123 Ų12374.6 Ų74.658%0.57541%0.408SS*.Hα-helixtrans-69.1-30.4169.9-71176.5-29.400111.5K125 T126 S132K125-Q129 WeakPolarHBondContact O-CG 3.43Å; K125-Q129 PolarHBondContact O-N 2.88Å; T126-Q129 PolarHBondContact O-N 3.38Å; Q129-S132 WeakPolarHBondContact O-CB 3.26Å; Q129-S132 PolarHBondContact O-OG 3.14Å
130Q62.6Low65.2Low139 Ų13975.1 Ų75.165%0.6541%0.411SS*.Hα-helixtrans-80.5-27.7175.3-70.4174.3-9.500113T126 M127 L128 S132T126-Q130 WeakPolarHBondContact O-CG 3.45Å; T126-Q130 PolarHBondContact O-N 3Å; M127-Q130 CarbonylContact O-C 3.1Å; M127-Q130 PolarHBondContact O-N 3.24Å; L128-Q130 VanDerWaalsContact C-N 3.28Å; Q130-S132 PolarHBondContact O-N 3.29Å; Q130-S132 VanDerWaalsContact O-N 3.12Å
131S58Low64.9Low20 Ų2076.7 Ų76.714%0.1441%0.413CS..G310 helixtrans-749.2171.979.80000113.3M127 L128 A133 R134 W136M127-S131 WeakPolarHBondContact O-CB 3.38Å; M127-S131 PolarHBondContact O-N 3.24Å; L128-S131 PolarHBondContact O-OG 3.26Å; L128-S131 VanDerWaalsContact O-OG 3.06Å; S131-A133 PolarHBondContact O-N 2.88Å; S131-R134 PolarHBondContact O-N 3.02Å; S131-W136 PolarHBondContact O-NE1 2.56Å; S131-W136 VanDerWaalsContact O-NE1 3.07Å; S131-W136 PolarHBondContact OG-NE1 3.49Å
132S47.5Very low64.9Low86 Ų8678.8 Ų78.860%0.60141%0.414SS*.G310 helixtrans-54.6-6.7174.558.40000115.1Q129 Q130 R134Q129-S132 WeakPolarHBondContact O-CB 3.26Å; Q129-S132 PolarHBondContact O-OG 3.14Å; Q130-S132 PolarHBondContact O-N 3.29Å; Q130-S132 VanDerWaalsContact O-N 3.12Å; S132-R134 PolarHBondContact O-N 3.11Å
133A52.6Low64.7Low101 Ų10177.1 Ų77.184%0.83541%0.405SS*.G310 helixtrans-62-21.9165.800000112.9S131S131-A133 PolarHBondContact O-N 2.88Å
134R59.8Low64.6Low96 Ų9675.6 Ų75.636%0.36240%0.398SS..SBendtrans-97.2131.6172.5-37.8-175.1-177.2169.25.3106.8K64 E69 S131 S132 W136K64-R134 PolarHBondContact O-NH1 3.24Å; E69-R134 VanDerWaalsContact CD-NH2 3.25Å; E69-R134 IonicContact OE1-CZ 2.77Å; E69-R134 IonicContact OE1-NH2 2.67Å; E69-R134 PolarHBondContact OE1-NH2 3.01Å; E69-R134 IonicContact OE2-CZ 2.78Å; E69-R134 IonicContact OE2-NH1 3.84Å; E69-R134 IonicContact OE2-NH2 3.86Å; E69-R134 PolarHBondContact OE2-NH2 2.79Å; S131-R134 PolarHBondContact O-N 3.02Å; S132-R134 PolarHBondContact O-N 3.11Å; R134-W136 PolarHBondContact O-N 2.87Å; R134-W136 PolarHBondContact O-NE1 2.94Å
135N63.7Low64.7Low176 Ų17677.5 Ų77.594%0.94141%0.41SS*.  trans-78.373.1-174.7-1350.1000109.7D137N135-D137 PolarHBondContact O-N 3.42Å
136W66.5Low64.7Low33 Ų3376.3 Ų76.313%0.12540%0.403CS..  trans-68.5122.9-174.8-58.282.7000110.7M63 S131 R134 I140 Q141 I144M63-W136 HydrophobicContact CE-CH2 3.26Å; M63-W136 HydrophobicContact CE-CZ3 3.24Å; M63-W136 HydrophobicContact CG-CH2 3.81Å; M63-W136 HydrophobicContact CG-CZ3 3.59Å; M63-W136 HydrophobicContact SD-CH2 4.15Å; M63-W136 HydrophobicContact SD-CZ3 3.65Å; S131-W136 PolarHBondContact O-NE1 2.56Å; S131-W136 VanDerWaalsContact O-NE1 3.07Å; S131-W136 PolarHBondContact OG-NE1 3.49Å; R134-W136 PolarHBondContact O-N 2.87Å; R134-W136 PolarHBondContact O-NE1 2.94Å; W136-I140 HydrophobicContact CE3-CB 3.99Å; W136-I140 HydrophobicContact CE3-CG2 3.28Å; W136-I140 HydrophobicContact CZ3-CG2 3.49Å; W136-I140 VanDerWaalsContact CZ3-CG2 3.49Å; W136-Q141 HydrophobicContact CB-CG 3.95Å; W136-Q141 PolarHBondContact O-NE2 3.21Å; W136-I144 HydrophobicContact CD2-CD1 4.24Å; W136-I144 HydrophobicContact CE3-CD1 3.36Å; W136-I144 HydrophobicContact CE3-CG1 4.48Å; W136-I144 HydrophobicContact CH2-CD1 4Å; W136-I144 HydrophobicContact CZ3-CD1 3.22Å; W136-I144 HydrophobicContact CZ3-CG1 4.07Å
137D75.1Confident64.5Low84 Ų8474.6 Ų74.645%0.44939%0.393SS..  trans-66.4162.3171.474.958.6000111.9N135 N139 I140 Q141N135-D137 PolarHBondContact O-N 3.42Å; D137-N139 VanDerWaalsContact C-N 3.26Å; D137-N139 PolarHBondContact O-N 2.61Å; D137-N139 WeakPolarHBondContact OD1-CA 3.3Å; D137-N139 VanDerWaalsContact OD1-CB 3.29Å; D137-N139 WeakPolarHBondContact OD1-CB 3.32Å; D137-N139 PolarHBondContact OD1-N 2.94Å; D137-I140 PolarHBondContact O-N 3.31Å; D137-I140 PolarHBondContact OD1-N 2.98Å; D137-I140 WeakPolarHBondContact OD2-CD1 3.5Å; D137-I140 WeakPolarHBondContact OD2-CG1 3.04Å; D137-Q141 WeakPolarHBondContact O-CG 3.01Å; D137-Q141 PolarHBondContact O-N 3.16Å; D137-Q141 VanDerWaalsContact O-N 3.07Å
138T77.2Confident64.7Low88 Ų8873.9 Ų73.954%0.5439%0.391SS..Hα-helixtrans-60.1-31-176.5-52.30000113.7K142T138-K142 WeakPolarHBondContact O-CG 3.23Å; T138-K142 PolarHBondContact O-N 3.48Å; T138-K142 VanDerWaalsContact O-N 3.12Å
139N70.4Confident65.4Low112 Ų11278.5 Ų78.560%0.59941%0.411SS*.Hα-helixtrans-71.6-43.4178.7-73.6-22.4000110.7D137 K142 N143D137-N139 VanDerWaalsContact C-N 3.26Å; D137-N139 PolarHBondContact O-N 2.61Å; D137-N139 WeakPolarHBondContact OD1-CA 3.3Å; D137-N139 VanDerWaalsContact OD1-CB 3.29Å; D137-N139 WeakPolarHBondContact OD1-CB 3.32Å; D137-N139 PolarHBondContact OD1-N 2.94Å; N139-K142 PolarHBondContact O-N 3.08Å; N139-N143 PolarHBondContact O-N 3.43Å; N139-N143 PolarHBondContact O-ND2 3.06Å; N139-N143 VanDerWaalsContact O-ND2 3.15Å
140I66.9Low65.7Low33 Ų3375 Ų7517%0.16940%0.398CS..Hα-helixtrans-61.1-49.6175.8-48.9169.6000108.8M63 W136 D137 K142 N143 I144M63-I140 HydrophobicContact CG-CG2 4.47Å; M63-I140 HydrophobicContact SD-CG2 4.09Å; W136-I140 HydrophobicContact CE3-CB 3.99Å; W136-I140 HydrophobicContact CE3-CG2 3.28Å; W136-I140 HydrophobicContact CZ3-CG2 3.49Å; W136-I140 VanDerWaalsContact CZ3-CG2 3.49Å; D137-I140 PolarHBondContact O-N 3.31Å; D137-I140 PolarHBondContact OD1-N 2.98Å; D137-I140 WeakPolarHBondContact OD2-CD1 3.5Å; D137-I140 WeakPolarHBondContact OD2-CG1 3.04Å; I140-K142 VanDerWaalsContact C-N 3.28Å; I140-K142 PolarHBondContact O-N 3.29Å; I140-N143 PolarHBondContact O-N 3.47Å; I140-I144 HydrophobicContact CG2-CD1 4.1Å; I140-I144 HydrophobicContact CG2-CG1 4.23Å; I140-I144 WeakPolarHBondContact O-CG1 3.02Å; I140-I144 PolarHBondContact O-N 3.2Å
141Q68.6Low66Low102 Ų10268.7 Ų68.748%0.47737%0.369SS..Hα-helixtrans-52.8-41.9177.9-67177.612.700113.8W136 D137 T145W136-Q141 HydrophobicContact CB-CG 3.95Å; W136-Q141 PolarHBondContact O-NE2 3.21Å; D137-Q141 WeakPolarHBondContact O-CG 3.01Å; D137-Q141 PolarHBondContact O-N 3.16Å; D137-Q141 VanDerWaalsContact O-N 3.07Å; Q141-T145 WeakPolarHBondContact O-CB 2.95Å; Q141-T145 PolarHBondContact O-N 3.07Å; Q141-T145 PolarHBondContact O-OG1 2.84Å
142K70.8Confident66.6Low133 Ų13371.4 Ų71.458%0.57838%0.378SS*.Hα-helixtrans-63.5-46.9175.7-77175.9179.9177.30112.4T138 N139 I140 I144 T145 Y146T138-K142 WeakPolarHBondContact O-CG 3.23Å; T138-K142 PolarHBondContact O-N 3.48Å; T138-K142 VanDerWaalsContact O-N 3.12Å; N139-K142 PolarHBondContact O-N 3.08Å; I140-K142 VanDerWaalsContact C-N 3.28Å; I140-K142 PolarHBondContact O-N 3.29Å; K142-I144 VanDerWaalsContact C-N 3.27Å; K142-I144 PolarHBondContact O-N 3.35Å; K142-T145 PolarHBondContact O-N 3.28Å; K142-Y146 PolarHBondContact O-N 3.04Å
143N64.4Low67.6Low47 Ų4772.4 Ų72.425%0.25137%0.372SS..Hα-helixtrans-61.4-36.9-179.9-72.7-33.2000112.3L59 S60 N139 I140 G147L59-N143 HydrophobicContact CB-CB 3.96Å; L59-N143 PolarHBondContact O-ND2 3.29Å; S60-N143 WeakPolarHBondContact OG-CB 3.1Å; S60-N143 PolarHBondContact OG-ND2 2.92Å; N139-N143 PolarHBondContact O-N 3.43Å; N139-N143 PolarHBondContact O-ND2 3.06Å; N139-N143 VanDerWaalsContact O-ND2 3.15Å; I140-N143 PolarHBondContact O-N 3.47Å; N143-G147 PolarHBondContact O-N 3.11Å
144I66.3Low68.2Low5 Ų568.9 Ų68.93%0.02634%0.337CS..Hα-helixtrans-74.5-41.6177.8-40154000111.4M63 F65 L128 W136 I140 K142 Y146 G147 C148M63-I144 HydrophobicContact CE-CB 4.26Å; M63-I144 HydrophobicContact CE-CD1 3.64Å; M63-I144 HydrophobicContact CE-CG1 3.35Å; M63-I144 HydrophobicContact CE-CG2 3.81Å; M63-I144 HydrophobicContact SD-CD1 4.26Å; M63-I144 HydrophobicContact SD-CG1 3.65Å; F65-I144 HydrophobicContact CZ-CG2 4.26Å; L128-I144 HydrophobicContact CD1-CB 3.68Å; L128-I144 HydrophobicContact CD1-CD1 4.4Å; L128-I144 HydrophobicContact CD1-CG2 3.15Å; L128-I144 HydrophobicContact CD2-CB 4.32Å; L128-I144 HydrophobicContact CD2-CD1 3.84Å; L128-I144 HydrophobicContact CD2-CG1 4.47Å; L128-I144 HydrophobicContact CD2-CG2 3.56Å; L128-I144 HydrophobicContact CG-CG2 3.92Å; W136-I144 HydrophobicContact CD2-CD1 4.24Å; W136-I144 HydrophobicContact CE3-CD1 3.36Å; W136-I144 HydrophobicContact CE3-CG1 4.48Å; W136-I144 HydrophobicContact CH2-CD1 4Å; W136-I144 HydrophobicContact CZ3-CD1 3.22Å; W136-I144 HydrophobicContact CZ3-CG1 4.07Å; I140-I144 HydrophobicContact CG2-CD1 4.1Å; I140-I144 HydrophobicContact CG2-CG1 4.23Å; I140-I144 WeakPolarHBondContact O-CG1 3.02Å; I140-I144 PolarHBondContact O-N 3.2Å; K142-I144 VanDerWaalsContact C-N 3.27Å; K142-I144 PolarHBondContact O-N 3.35Å; I144-Y146 PolarHBondContact O-N 2.96Å; I144-G147 CarbonylContact O-C 3.59Å; I144-G147 WeakPolarHBondContact O-CA 2.86Å; I144-G147 PolarHBondContact O-N 2.9Å; I144-C148 PolarHBondContact O-N 3.42Å; I144-C148 PolarHBondContact O-SG 3.48Å
145T70.7Confident68.8Low52 Ų5264.3 Ų64.332%0.31932%0.32SS..Hα-helixtrans-54.5-45.7175.1-59.50000109.8Q141 K142 C148 E149Q141-T145 WeakPolarHBondContact O-CB 2.95Å; Q141-T145 PolarHBondContact O-N 3.07Å; Q141-T145 PolarHBondContact O-OG1 2.84Å; K142-T145 PolarHBondContact O-N 3.28Å; T145-C148 WeakPolarHBondContact O-CB 3.24Å; T145-C148 PolarHBondContact O-N 3.47Å; T145-E149 WeakPolarHBondContact O-CG 3.49Å; T145-E149 PolarHBondContact O-N 2.83Å
146Y66.6Low69.2Low82 Ų8260.4 Ų60.432%0.32230%0.296SS..Hα-helixtrans-61.7-45.7173.5178-99.9000112.6L55 L59 K142 I144 C148 E149 V150L55-Y146 HydrophobicContact CD1-CE1 4.18Å; L59-Y146 HydrophobicContact CD1-CD1 3.46Å; L59-Y146 VanDerWaalsContact CD1-CD1 3.46Å; L59-Y146 HydrophobicContact CD1-CE1 3.86Å; K142-Y146 PolarHBondContact O-N 3.04Å; I144-Y146 PolarHBondContact O-N 2.96Å; Y146-C148 VanDerWaalsContact C-N 3.32Å; Y146-C148 PolarHBondContact O-N 3.02Å; Y146-E149 WeakPolarHBondContact O-CB 3.12Å; Y146-E149 PolarHBondContact O-N 3.26Å; Y146-E149 VanDerWaalsContact O-N 3.14Å; Y146-V150 HydrophobicContact CD1-CG2 4.26Å; Y146-V150 HydrophobicContact CE1-CG2 3.85Å; Y146-V150 HydrophobicContact CE2-CG2 4.21Å; Y146-V150 WeakPolarHBondContact O-CG2 3.48Å; Y146-V150 PolarHBondContact O-N 3.41Å
147G66Low69.1Low3 Ų361.5 Ų61.53%0.03130%0.304CS..Hα-helixtrans-58.1-41.6175.800000113.6N143 I144 V150 L151N143-G147 PolarHBondContact O-N 3.11Å; I144-G147 CarbonylContact O-C 3.59Å; I144-G147 WeakPolarHBondContact O-CA 2.86Å; I144-G147 PolarHBondContact O-N 2.9Å; G147-V150 PolarHBondContact O-N 3.02Å; G147-L151 WeakPolarHBondContact O-CG 3.28Å; G147-L151 PolarHBondContact O-N 3.47Å
148C70.7Confident68.8Low13 Ų1357.6 Ų57.69%0.08828%0.283CS..Hα-helixtrans-63.4-42173.5-67.10000112.3C124 L128 I144 T145 Y146 V150 L151 K152C124-C148 HydrophobicContact CB-CB 3.59Å; C124-C148 WeakPolarHBondContact CB-SG 3.49Å; C124-C148 VanDerWaalsContact SG-CA 3.53Å; C124-C148 WeakPolarHBondContact SG-CB 2.96Å; C124-C148 CovalentContact SG-SG 2.01Å; C124-C148 PolarHBondContact SG-SG 3.31Å; L128-C148 VanDerWaalsContact CD1-SG 3.53Å; I144-C148 PolarHBondContact O-N 3.42Å; I144-C148 PolarHBondContact O-SG 3.48Å; T145-C148 WeakPolarHBondContact O-CB 3.24Å; T145-C148 PolarHBondContact O-N 3.47Å; Y146-C148 VanDerWaalsContact C-N 3.32Å; Y146-C148 PolarHBondContact O-N 3.02Å; C148-V150 VanDerWaalsContact C-N 3.34Å; C148-L151 PolarHBondContact O-N 2.88Å; C148-K152 VanDerWaalsContact O-CB 3.3Å; C148-K152 WeakPolarHBondContact O-CB 3.43Å; C148-K152 PolarHBondContact O-N 3.06Å
149E70.7Confident68.7Low120 Ų12053.8 Ų53.856%0.56126%0.259SS*.Hα-helixtrans-64.2-40.8177.4-75.7175.5176.900111.5T145 Y146 K152 K153T145-E149 WeakPolarHBondContact O-CG 3.49Å; T145-E149 PolarHBondContact O-N 2.83Å; Y146-E149 WeakPolarHBondContact O-CB 3.12Å; Y146-E149 PolarHBondContact O-N 3.26Å; Y146-E149 VanDerWaalsContact O-N 3.14Å; E149-K152 PolarHBondContact O-N 3.19Å; E149-K153 VanDerWaalsContact O-CB 3.3Å; E149-K153 WeakPolarHBondContact O-CB 3.49Å; E149-K153 PolarHBondContact O-N 3.4Å
150V65.1Low68.8Low49 Ų4950.1 Ų50.130%0.29725%0.247SC..Hα-helixtrans-62.1-47.4174.2172.80000110.8L55 Y146 G147 C148 K153 Y154L55-V150 HydrophobicContact CD2-CB 3.97Å; L55-V150 HydrophobicContact CD2-CG1 4.01Å; L55-V150 HydrophobicContact CD2-CG2 4.23Å; Y146-V150 HydrophobicContact CD1-CG2 4.26Å; Y146-V150 HydrophobicContact CE1-CG2 3.85Å; Y146-V150 HydrophobicContact CE2-CG2 4.21Å; Y146-V150 WeakPolarHBondContact O-CG2 3.48Å; Y146-V150 PolarHBondContact O-N 3.41Å; G147-V150 PolarHBondContact O-N 3.02Å; C148-V150 VanDerWaalsContact C-N 3.34Å; V150-K153 PolarHBondContact O-N 2.86Å; V150-Y154 VanDerWaalsContact O-CB 3.32Å; V150-Y154 WeakPolarHBondContact O-CB 3.32Å; V150-Y154 PolarHBondContact O-N 3.03Å
151L67.8Low68.6Low8 Ų849.1 Ų49.14%0.04224%0.244CC..Hα-helixtrans-59.4-47.9175.9-77.2-179000111.9I48 Y52 I73 G147 C148 K153 Y154 S155I48-L151 HydrophobicContact CG2-CD2 3.48Å; I48-L151 VanDerWaalsContact CG2-CD2 3.48Å; Y52-L151 HydrophobicContact CD2-CD1 3.4Å; Y52-L151 HydrophobicContact CD2-CD2 4.23Å; Y52-L151 HydrophobicContact CD2-CG 3.86Å; Y52-L151 HydrophobicContact CE2-CD1 3.52Å; Y52-L151 HydrophobicContact CE2-CG 4.31Å; Y52-L151 HydrophobicContact CG-CD1 4.02Å; I73-L151 HydrophobicContact CG2-CD1 3.84Å; G147-L151 WeakPolarHBondContact O-CG 3.28Å; G147-L151 PolarHBondContact O-N 3.47Å; C148-L151 PolarHBondContact O-N 2.88Å; L151-K153 VanDerWaalsContact C-N 3.32Å; L151-K153 PolarHBondContact O-N 2.96Å; L151-Y154 WeakPolarHBondContact O-CB 3.45Å; L151-Y154 PolarHBondContact O-N 3.22Å; L151-S155 PolarHBondContact O-N 3.38Å; L151-S155 PolarHBondContact O-OG 2.9Å; L151-S155 VanDerWaalsContact O-OG 3.11Å
152K71.9Confident68.5Low76 Ų7644.3 Ų44.333%0.3322%0.222SC..Hα-helixtrans-58.3-46.4177.4-174.6178-172.3175.40111.1N122 C148 E149 Y154 S155 E156N122-K152 PolarHBondContact OD1-NZ 3.26Å; C148-K152 VanDerWaalsContact O-CB 3.3Å; C148-K152 WeakPolarHBondContact O-CB 3.43Å; C148-K152 PolarHBondContact O-N 3.06Å; E149-K152 PolarHBondContact O-N 3.19Å; K152-Y154 VanDerWaalsContact C-N 3.28Å; K152-Y154 PolarHBondContact O-N 3.29Å; K152-S155 PolarHBondContact O-N 3.29Å; K152-E156 WeakPolarHBondContact O-CB 3.41Å; K152-E156 PolarHBondContact O-N 2.8Å
153K68.7Low68.7Low107 Ų10741.7 Ų41.747%0.46521%0.211SC..Hα-helixtrans-63.9-37.7179.4-172.257.1178.2176.50111.6E149 V150 L151 E156 L157E149-K153 VanDerWaalsContact O-CB 3.3Å; E149-K153 WeakPolarHBondContact O-CB 3.49Å; E149-K153 PolarHBondContact O-N 3.4Å; V150-K153 PolarHBondContact O-N 2.86Å; L151-K153 VanDerWaalsContact C-N 3.32Å; L151-K153 PolarHBondContact O-N 2.96Å; K153-E156 VanDerWaalsContact CD-OE2 3.26Å; K153-E156 WeakPolarHBondContact CD-OE2 2.87Å; K153-E156 IonicContact NZ-OE1 2.77Å; K153-E156 IonicContact NZ-OE2 3.31Å; K153-E156 PolarHBondContact NZ-OE2 2.98Å; K153-L157 HydrophobicContact CG-CD1 4.4Å; K153-L157 VanDerWaalsContact O-CG 3.26Å; K153-L157 WeakPolarHBondContact O-CG 3.34Å; K153-L157 PolarHBondContact O-N 3.06Å
154Y64.5Low69.2Low27 Ų2746.3 Ų46.311%0.10623%0.228CC..Hα-helixtrans-65.5-50.9175.4177.5-90.1000111.9T13 Y44 I48 V150 L151 K152 E156 L157 K158T13-Y154 HydrophobicContact CG2-CD2 3.61Å; T13-Y154 HydrophobicContact CG2-CE2 3.58Å; T13-Y154 HydrophobicContact CG2-CG 4.36Å; T13-Y154 WeakPolarHBondContact OG1-CD2 3.27Å; T13-Y154 WeakPolarHBondContact OG1-CE2 3.28Å; Y44-Y154 AromaticContact CE2-CE1 3.99Å; Y44-Y154 HydrophobicContact CE2-CE1 3.99Å; Y44-Y154 AromaticContact CZ-CE1 3.99Å; Y44-Y154 WeakPolarHBondContact OH-CE1 3.01Å; I48-Y154 HydrophobicContact CD1-CD1 4.21Å; I48-Y154 HydrophobicContact CD1-CE1 3.51Å; I48-Y154 HydrophobicContact CG1-CD1 4.33Å; I48-Y154 HydrophobicContact CG1-CE1 3.64Å; V150-Y154 VanDerWaalsContact O-CB 3.32Å; V150-Y154 WeakPolarHBondContact O-CB 3.32Å; V150-Y154 PolarHBondContact O-N 3.03Å; L151-Y154 WeakPolarHBondContact O-CB 3.45Å; L151-Y154 PolarHBondContact O-N 3.22Å; K152-Y154 VanDerWaalsContact C-N 3.28Å; K152-Y154 PolarHBondContact O-N 3.29Å; Y154-E156 VanDerWaalsContact C-N 3.28Å; Y154-E156 PolarHBondContact O-N 3.42Å; Y154-L157 PolarHBondContact O-N 3.31Å; Y154-L157 VanDerWaalsContact O-N 3.16Å; Y154-K158 PolarHBondContact O-N 2.86Å
155S72.8Confident69.2Low1 Ų147.3 Ų47.31%0.00723%0.233CC..Hα-helixtrans-56.5-44.2175.6-57.90000110.8S77 E78 H81 L151 K152 L157 K158 W159S77-S155 PolarHBondContact O-OG 3.07Å; S77-S155 PolarHBondContact OG-OG 2.91Å; E78-S155 VanDerWaalsContact OE1-CB 3.23Å; E78-S155 WeakPolarHBondContact OE1-CB 3.47Å; E78-S155 PolarHBondContact OE1-OG 3.13Å; H81-S155 WeakPolarHBondContact ND1-CB 3.41Å; L151-S155 PolarHBondContact O-N 3.38Å; L151-S155 PolarHBondContact O-OG 2.9Å; L151-S155 VanDerWaalsContact O-OG 3.11Å; K152-S155 PolarHBondContact O-N 3.29Å; S155-L157 PolarHBondContact O-N 2.78Å; S155-K158 PolarHBondContact O-N 3.36Å; S155-W159 PolarHBondContact O-N 3.42Å
156E71.8Confident69.5Low94 Ų9444.8 Ų44.844%0.43922%0.218SC..Hα-helixtrans-56.6-49.6175.1-173.7-166.8-175.700112.3H81 K152 K153 Y154 K158 G160H81-E156 VanDerWaalsContact CD2-CA 3.5Å; H81-E156 WeakPolarHBondContact CD2-CA 3.46Å; K152-E156 WeakPolarHBondContact O-CB 3.41Å; K152-E156 PolarHBondContact O-N 2.8Å; K153-E156 VanDerWaalsContact CD-OE2 3.26Å; K153-E156 WeakPolarHBondContact CD-OE2 2.87Å; K153-E156 IonicContact NZ-OE1 2.77Å; K153-E156 IonicContact NZ-OE2 3.31Å; K153-E156 PolarHBondContact NZ-OE2 2.98Å; Y154-E156 VanDerWaalsContact C-N 3.28Å; Y154-E156 PolarHBondContact O-N 3.42Å; E156-K158 VanDerWaalsContact C-N 3.32Å; E156-K158 PolarHBondContact O-N 3.14Å; E156-G160 WeakPolarHBondContact O-CA 3.45Å; E156-G160 PolarHBondContact O-N 3.43Å
157L65.1Low70Confident55 Ų5542.9 Ų42.929%0.28821%0.213SC..Hα-helixtrans-62.9-40.3179.1-73.9168.7000111.6N10 T13 K153 Y154 S155 A161N10-L157 WeakPolarHBondContact OD1-CD1 3.2Å; T13-L157 HydrophobicContact CG2-CB 3.59Å; T13-L157 HydrophobicContact CG2-CD1 4.29Å; K153-L157 HydrophobicContact CG-CD1 4.4Å; K153-L157 VanDerWaalsContact O-CG 3.26Å; K153-L157 WeakPolarHBondContact O-CG 3.34Å; K153-L157 PolarHBondContact O-N 3.06Å; Y154-L157 PolarHBondContact O-N 3.31Å; Y154-L157 VanDerWaalsContact O-N 3.16Å; S155-L157 PolarHBondContact O-N 2.78Å; L157-A161 WeakPolarHBondContact O-CB 3.26Å; L157-A161 PolarHBondContact O-N 3.17Å
158K67.8Low70.3Confident3 Ų347.5 Ų47.51%0.01324%0.235CC..Hα-helixtrans-61.1-60.9177.1165.1-177.7169.8-162.10112.1S17 Y44 E78 Y154 S155 E156 G160 A161 R162S17-K158 WeakPolarHBondContact OG-CA 3.5Å; S17-K158 WeakPolarHBondContact OG-CB 3.43Å; S17-K158 VanDerWaalsContact OG-CG 3.23Å; S17-K158 WeakPolarHBondContact OG-CG 3.46Å; Y44-K158 HydrophobicContact CE1-CD 4.2Å; Y44-K158 HydrophobicContact CE2-CD 3.48Å; Y44-K158 VanDerWaalsContact CE2-CD 3.48Å; Y44-K158 WeakPolarHBondContact OH-CD 3.35Å; Y44-K158 PolarHBondContact OH-NZ 3.4Å; E78-K158 IonicContact OE2-NZ 2.68Å; E78-K158 PolarHBondContact OE2-NZ 2.88Å; Y154-K158 PolarHBondContact O-N 2.86Å; S155-K158 PolarHBondContact O-N 3.36Å; E156-K158 VanDerWaalsContact C-N 3.32Å; E156-K158 PolarHBondContact O-N 3.14Å; K158-G160 PolarHBondContact O-N 2.84Å; K158-A161 PolarHBondContact O-N 3.03Å; K158-R162 PolarHBondContact O-N 2.73Å
159W75.5Confident70.3Confident7 Ų747 Ų473%0.02723%0.232CC..Hα-helixtrans-67.8-27-174-70.7105000110.6E78 H81 Q82 W85 S155 R162 K163 M288 V292E78-W159 PolarHBondContact OE2-NE1 2.94Å; H81-W159 HydrophobicContact CB-CB 3.86Å; H81-W159 HydrophobicContact CB-CG 3.61Å; Q82-W159 HydrophobicContact CB-CD2 4.25Å; Q82-W159 HydrophobicContact CB-CH2 3.92Å; Q82-W159 HydrophobicContact CB-CZ2 3.49Å; Q82-W159 VanDerWaalsContact CB-CZ2 3.49Å; Q82-W159 HydrophobicContact CB-CZ3 4.44Å; Q82-W159 HydrophobicContact CG-CH2 3.57Å; Q82-W159 HydrophobicContact CG-CZ2 3.64Å; Q82-W159 HydrophobicContact CG-CZ3 4.15Å; W85-W159 HydrophobicContact CB-CB 4.33Å; W85-W159 HydrophobicContact CB-CD2 4.29Å; W85-W159 HydrophobicContact CB-CE3 3.6Å; W85-W159 HydrophobicContact CB-CZ3 4.34Å; W85-W159 HydrophobicContact CD2-CE3 4.09Å; W85-W159 HydrophobicContact CD2-CZ3 4.05Å; W85-W159 HydrophobicContact CE3-CZ3 4.19Å; W85-W159 AromaticContact CG-CE3 3.63Å; W85-W159 HydrophobicContact CG-CE3 3.63Å; W85-W159 HydrophobicContact CG-CZ3 4.09Å; S155-W159 PolarHBondContact O-N 3.42Å; W159-R162 HydrophobicContact CE3-CB 4.48Å; W159-R162 HydrophobicContact CE3-CG 4.49Å; W159-R162 HydrophobicContact CZ3-CG 4.45Å; W159-K163 WeakPolarHBondContact O-CB 3.31Å; W159-K163 PolarHBondContact O-N 3.45Å; W159-M288 HydrophobicContact CH2-CG 3.53Å; W159-M288 HydrophobicContact CH2-SD 4.17Å; W159-M288 HydrophobicContact CZ3-CG 3.41Å; W159-M288 VanDerWaalsContact CZ3-CG 3.41Å; W159-M288 HydrophobicContact CZ3-SD 4.2Å; W159-V292 HydrophobicContact CH2-CG2 4.13Å; W159-V292 HydrophobicContact CZ2-CG2 3.66Å
160G71.5Confident70.7Confident35 Ų3541.5 Ų41.536%0.36121%0.206SC..Hα-helixtrans-62.4-47.6168.200000113.3E156 K158 K164E156-G160 WeakPolarHBondContact O-CA 3.45Å; E156-G160 PolarHBondContact O-N 3.43Å; K158-G160 PolarHBondContact O-N 2.84Å; G160-K164 PolarHBondContact O-N 3.05Å
161A62.3Low71.2Confident13 Ų1346.9 Ų46.911%0.10722%0.221CC..Hα-helixtrans-64.5-47.7176.400000111.4L14 L157 K158 K163 K164 L165L14-A161 HydrophobicContact CD1-CB 4.33Å; L157-A161 WeakPolarHBondContact O-CB 3.26Å; L157-A161 PolarHBondContact O-N 3.17Å; K158-A161 PolarHBondContact O-N 3.03Å; A161-K163 VanDerWaalsContact C-N 3.35Å; A161-K163 PolarHBondContact O-N 2.9Å; A161-K164 WeakPolarHBondContact O-CB 3.37Å; A161-K164 PolarHBondContact O-N 2.87Å; A161-K164 VanDerWaalsContact O-N 3.16Å; A161-L165 WeakPolarHBondContact O-CG 3.37Å; A161-L165 PolarHBondContact O-N 3.16Å; A161-L165 VanDerWaalsContact O-N 3.08Å
162R67.5Low71.1Confident1 Ų151.2 Ų51.20%0.00424%0.237CC..Hα-helixtrans-59.7-44.9177.2-173.545.6-179.6-96.40.3111.6G20 K158 W159 K164 L165 D166 E291G20-R162 PolarHBondContact O-NH1 2.54Å; K158-R162 PolarHBondContact O-N 2.73Å; W159-R162 HydrophobicContact CE3-CB 4.48Å; W159-R162 HydrophobicContact CE3-CG 4.49Å; W159-R162 HydrophobicContact CZ3-CG 4.45Å; R162-K164 VanDerWaalsContact C-N 3.32Å; R162-K164 PolarHBondContact O-N 3.39Å; R162-L165 WeakPolarHBondContact O-CB 3.19Å; R162-L165 PolarHBondContact O-N 3.26Å; R162-D166 WeakPolarHBondContact CD-OD2 2.94Å; R162-D166 VanDerWaalsContact CG-OD2 3.31Å; R162-D166 WeakPolarHBondContact CG-OD2 3.09Å; R162-D166 IonicContact NE-OD1 3.57Å; R162-D166 PolarHBondContact NE-OD1 2.83Å; R162-D166 IonicContact NE-OD2 3.51Å; R162-D166 PolarHBondContact NE-OD2 2.84Å; R162-D166 PolarHBondContact O-N 2.84Å; R162-E291 IonicContact CZ-OE1 3.79Å; R162-E291 IonicContact NH1-OE1 3.19Å; R162-E291 PolarHBondContact NH1-OE1 3.33Å; R162-E291 IonicContact NH1-OE2 2.86Å; R162-E291 PolarHBondContact NH1-OE2 3.19Å; R162-E291 IonicContact NH2-OE1 3.43Å
163K75.7Confident71.1Confident78 Ų7848.7 Ų48.734%0.33923%0.227SC..Hα-helixtrans-55.7-48.1174.5-171.2-175.982.1177.80111.1W85 N88 W159 A161 L165 D166 L167W85-K163 VanDerWaalsContact CD1-N 3.28Å; N88-K163 HydrophobicContact CB-CD 3.87Å; N88-K163 HydrophobicContact CB-CG 4.27Å; W159-K163 WeakPolarHBondContact O-CB 3.31Å; W159-K163 PolarHBondContact O-N 3.45Å; A161-K163 VanDerWaalsContact C-N 3.35Å; A161-K163 PolarHBondContact O-N 2.9Å; K163-L165 VanDerWaalsContact C-N 3.3Å; K163-L165 PolarHBondContact O-N 2.93Å; K163-D166 PolarHBondContact O-N 3.41Å; K163-L167 HydrophobicContact CD-CD1 4.29Å; K163-L167 HydrophobicContact CG-CD1 3.78Å; K163-L167 HydrophobicContact CG-CG 4.2Å; K163-L167 WeakPolarHBondContact O-CB 3.44Å; K163-L167 WeakPolarHBondContact O-CG 3.14Å; K163-L167 PolarHBondContact O-N 3.47Å
164K73.2Confident71.4Confident143 Ų14347.1 Ų47.162%0.62222%0.224SC*.Hα-helixtrans-58.7-45.6-178.7-174.9179177.8-177.80110.9G160 A161 R162 M168G160-K164 PolarHBondContact O-N 3.05Å; A161-K164 WeakPolarHBondContact O-CB 3.37Å; A161-K164 PolarHBondContact O-N 2.87Å; A161-K164 VanDerWaalsContact O-N 3.16Å; R162-K164 VanDerWaalsContact C-N 3.32Å; R162-K164 PolarHBondContact O-N 3.39Å; K164-M168 HydrophobicContact CG-SD 4.13Å; K164-M168 WeakPolarHBondContact O-CB 3.45Å; K164-M168 VanDerWaalsContact O-CG 3.24Å; K164-M168 WeakPolarHBondContact O-CG 3.25Å; K164-M168 PolarHBondContact O-N 3.28Å
165L67.3Low71.2Confident26 Ų2646.8 Ų46.814%0.13623%0.229CC..Hα-helixtrans-62.8-53.9178.9-69.3158.7000112L18 L21 A161 R162 K163 L167 M168 T169L18-L165 HydrophobicContact CB-CD1 4.42Å; L18-L165 HydrophobicContact CD2-CD1 3.41Å; L18-L165 VanDerWaalsContact CD2-CD1 3.41Å; L18-L165 HydrophobicContact CD2-CD2 3.67Å; L18-L165 HydrophobicContact CD2-CG 3.81Å; L18-L165 HydrophobicContact CG-CD1 4.26Å; L21-L165 HydrophobicContact CD1-CD1 3.27Å; L21-L165 HydrophobicContact CD1-CD2 3.91Å; L21-L165 HydrophobicContact CD1-CG 4.07Å; L21-L165 HydrophobicContact CD2-CD1 4.15Å; L21-L165 HydrophobicContact CG-CD1 4.17Å; A161-L165 WeakPolarHBondContact O-CG 3.37Å; A161-L165 PolarHBondContact O-N 3.16Å; A161-L165 VanDerWaalsContact O-N 3.08Å; R162-L165 WeakPolarHBondContact O-CB 3.19Å; R162-L165 PolarHBondContact O-N 3.26Å; K163-L165 VanDerWaalsContact C-N 3.3Å; K163-L165 PolarHBondContact O-N 2.93Å; L165-L167 VanDerWaalsContact C-N 3.26Å; L165-L167 PolarHBondContact O-N 3.03Å; L165-M168 CarbonylContact O-C 3.48Å; L165-M168 WeakPolarHBondContact O-CA 3.3Å; L165-M168 WeakPolarHBondContact O-CB 3.37Å; L165-M168 PolarHBondContact O-N 2.01Å; L165-T169 PolarHBondContact O-N 3.37Å; L165-T169 PolarHBondContact O-OG1 3.27Å; L165-T169 VanDerWaalsContact O-OG1 3.09Å
166D76.6Confident69.9Low0 Ų048.4 Ų48.40%024%0.24CC..Hα-helixtrans-65.2-32.9-175.3-59.7-47.6000112.4W85 Y89 R162 K163 T169 I170 R268W85-D166 HydrophobicContact CZ2-CB 4.36Å; W85-D166 WeakPolarHBondContact CZ2-OD2 3.5Å; W85-D166 PolarHBondContact NE1-OD2 3.04Å; Y89-D166 HydrophobicContact CD2-CB 3.69Å; Y89-D166 HydrophobicContact CE2-CB 3.96Å; R162-D166 WeakPolarHBondContact CD-OD2 2.94Å; R162-D166 VanDerWaalsContact CG-OD2 3.31Å; R162-D166 WeakPolarHBondContact CG-OD2 3.09Å; R162-D166 IonicContact NE-OD1 3.57Å; R162-D166 PolarHBondContact NE-OD1 2.83Å; R162-D166 IonicContact NE-OD2 3.51Å; R162-D166 PolarHBondContact NE-OD2 2.84Å; R162-D166 PolarHBondContact O-N 2.84Å; K163-D166 PolarHBondContact O-N 3.41Å; D166-T169 WeakPolarHBondContact O-CB 3.29Å; D166-T169 PolarHBondContact O-N 3.4Å; D166-I170 WeakPolarHBondContact O-CG1 3.33Å; D166-I170 PolarHBondContact O-N 2.91Å; D166-R268 IonicContact OD1-CZ 2.73Å; D166-R268 IonicContact OD1-NH1 3.81Å; D166-R268 IonicContact OD1-NH2 3.88Å; D166-R268 PolarHBondContact OD1-NH2 3.17Å
167L77.7Confident68.4Low41 Ų4147.3 Ų47.322%0.21524%0.237CC..Hα-helixtrans-69.4-36.9172.4-67.7-178.5000112.3A92 K163 L165 T169 I170 R171A92-L167 HydrophobicContact CB-CD2 3.29Å; K163-L167 HydrophobicContact CD-CD1 4.29Å; K163-L167 HydrophobicContact CG-CD1 3.78Å; K163-L167 HydrophobicContact CG-CG 4.2Å; K163-L167 WeakPolarHBondContact O-CB 3.44Å; K163-L167 WeakPolarHBondContact O-CG 3.14Å; K163-L167 PolarHBondContact O-N 3.47Å; L165-L167 VanDerWaalsContact C-N 3.26Å; L165-L167 PolarHBondContact O-N 3.03Å; L167-T169 VanDerWaalsContact C-N 3.34Å; L167-I170 HydrophobicContact CD2-CD1 4.37Å; L167-I170 PolarHBondContact O-N 3.27Å; L167-R171 WeakPolarHBondContact O-CG 3.01Å; L167-R171 PolarHBondContact O-N 2.85Å; L167-R171 VanDerWaalsContact O-N 3.15Å
168M72.4Confident67.4Low100 Ų10054.3 Ų54.349%0.49327%0.268SS..Hα-helixtrans-64-41.4171.3-74.5173.863.800110.9K164 L165 I170 R171 W172K164-M168 HydrophobicContact CG-SD 4.13Å; K164-M168 WeakPolarHBondContact O-CB 3.45Å; K164-M168 VanDerWaalsContact O-CG 3.24Å; K164-M168 WeakPolarHBondContact O-CG 3.25Å; K164-M168 PolarHBondContact O-N 3.28Å; L165-M168 CarbonylContact O-C 3.48Å; L165-M168 WeakPolarHBondContact O-CA 3.3Å; L165-M168 WeakPolarHBondContact O-CB 3.37Å; L165-M168 PolarHBondContact O-N 2.01Å; M168-I170 PolarHBondContact O-N 3.38Å; M168-R171 PolarHBondContact O-N 3.38Å; M168-W172 WeakPolarHBondContact O-CB 3.29Å; M168-W172 PolarHBondContact O-N 3.04Å
169T71.4Confident66Low4 Ų461 Ų613%0.02531%0.305CS..Hα-helixtrans-58.2-46.7174.5-60.30000111.6L165 D166 L167 R171 W172 L173 I269 L272L165-T169 PolarHBondContact O-N 3.37Å; L165-T169 PolarHBondContact O-OG1 3.27Å; L165-T169 VanDerWaalsContact O-OG1 3.09Å; D166-T169 WeakPolarHBondContact O-CB 3.29Å; D166-T169 PolarHBondContact O-N 3.4Å; L167-T169 VanDerWaalsContact C-N 3.34Å; T169-R171 PolarHBondContact O-N 2.99Å; T169-W172 PolarHBondContact O-N 2.9Å; T169-L173 HydrophobicContact CG2-CD1 3.76Å; T169-L173 HydrophobicContact CG2-CG 4.3Å; T169-L173 WeakPolarHBondContact O-CB 3.41Å; T169-L173 WeakPolarHBondContact O-CG 3.42Å; T169-L173 PolarHBondContact O-N 2.79Å; T169-I269 HydrophobicContact CG2-CG1 3.86Å; T169-I269 HydrophobicContact CG2-CG2 4.12Å; T169-L272 HydrophobicContact CG2-CD1 3.6Å
170I77.8Confident63.9Low3 Ų363.4 Ų63.42%0.01533%0.331CS..Hα-helixtrans-57.1-48174.9-72172.5000111.1Y89 A92 A93 T96 W97 D166 L167 M168 W172 L173 N174Y89-I170 HydrophobicContact CD2-CD1 3.72Å; Y89-I170 HydrophobicContact CE2-CD1 3.52Å; Y89-I170 HydrophobicContact CE2-CG1 3.92Å; A92-I170 HydrophobicContact CB-CD1 3.77Å; A93-I170 HydrophobicContact CB-CD1 4.24Å; T96-I170 HydrophobicContact CG2-CG2 3.71Å; T96-I170 WeakPolarHBondContact OG1-CG2 3.42Å; W97-I170 HydrophobicContact CH2-CG1 4.04Å; W97-I170 HydrophobicContact CZ2-CG1 4.22Å; W97-I170 HydrophobicContact CZ2-CG2 4.42Å; D166-I170 WeakPolarHBondContact O-CG1 3.33Å; D166-I170 PolarHBondContact O-N 2.91Å; L167-I170 HydrophobicContact CD2-CD1 4.37Å; L167-I170 PolarHBondContact O-N 3.27Å; M168-I170 PolarHBondContact O-N 3.38Å; I170-W172 PolarHBondContact O-N 2.74Å; I170-L173 PolarHBondContact O-N 3.03Å; I170-N174 PolarHBondContact O-N 3.31Å; I170-N174 VanDerWaalsContact O-N 3.1Å
171R75.2Confident61.9Low163 Ų16368.5 Ų68.562%0.61535%0.346SS*.Hα-helixtrans-60.4-45.7179.4-69.8172.6-174-177.7-0.5111.8L167 M168 T169 N174 G175 S176L167-R171 WeakPolarHBondContact O-CG 3.01Å; L167-R171 PolarHBondContact O-N 2.85Å; L167-R171 VanDerWaalsContact O-N 3.15Å; M168-R171 PolarHBondContact O-N 3.38Å; T169-R171 PolarHBondContact O-N 2.99Å; R171-N174 PolarHBondContact O-N 2.65Å; R171-G175 PolarHBondContact O-N 3.45Å; R171-S176 PolarHBondContact O-N 3.16Å; R171-S176 VanDerWaalsContact O-N 3.13Å
172W67.3Low60.6Low98 Ų9871.8 Ų71.837%0.37137%0.368SS..Hα-helixtrans-66.5-40.3-179.3-162.984.8000112.5M168 T169 I170 N174 G175 I185 I269 K273M168-W172 WeakPolarHBondContact O-CB 3.29Å; M168-W172 PolarHBondContact O-N 3.04Å; T169-W172 PolarHBondContact O-N 2.9Å; I170-W172 PolarHBondContact O-N 2.74Å; W172-N174 PolarHBondContact O-N 2.71Å; W172-G175 WeakPolarHBondContact O-CA 2.94Å; W172-G175 PolarHBondContact O-N 3.07Å; W172-I185 HydrophobicContact CZ2-CD1 4.46Å; W172-I269 HydrophobicContact CD2-CG2 4Å; W172-I269 HydrophobicContact CE3-CB 4.07Å; W172-I269 HydrophobicContact CE3-CG2 3.04Å; W172-I269 HydrophobicContact CH2-CG2 4.38Å; W172-I269 HydrophobicContact CZ3-CB 3.85Å; W172-I269 HydrophobicContact CZ3-CG2 3.23Å; W172-K273 HydrophobicContact CZ3-CD 3.93Å; W172-K273 HydrophobicContact CZ3-CG 4.36Å
173L70.7Confident59.1Low24 Ų2478.8 Ų78.813%0.12640%0.401CS..Hα-helixtrans-65-27.6175-72.2171.5000112.8W97 T169 I170 I269 L272 K273W97-L173 HydrophobicContact CH2-CD1 4.3Å; W97-L173 HydrophobicContact CZ2-CB 4.25Å; W97-L173 HydrophobicContact CZ2-CD1 4.01Å; T169-L173 HydrophobicContact CG2-CD1 3.76Å; T169-L173 HydrophobicContact CG2-CG 4.3Å; T169-L173 WeakPolarHBondContact O-CB 3.41Å; T169-L173 WeakPolarHBondContact O-CG 3.42Å; T169-L173 PolarHBondContact O-N 2.79Å; I170-L173 PolarHBondContact O-N 3.03Å; L173-I269 HydrophobicContact CD2-CG2 3.76Å; L173-I269 HydrophobicContact CG-CG2 3.91Å; L173-L272 HydrophobicContact CD1-CB 3.73Å; L173-L272 HydrophobicContact CD1-CD1 4.1Å; L173-L272 HydrophobicContact CD2-CB 3.99Å; L173-L272 HydrophobicContact CG-CB 4.5Å; L173-K273 HydrophobicContact CD2-CB 4.23Å; L173-K273 HydrophobicContact CD2-CG 3.5Å; L173-K273 VanDerWaalsContact CD2-CG 3.5Å
174N75.9Confident57.3Low73 Ų7383.5 Ų83.539%0.3942%0.424SS..THydrogen-bonded Turntrans-81.9-1.3172.9-159.255.1000113T96 I170 R171 W172 S176T96-N174 HydrophobicContact CG2-CB 3.74Å; I170-N174 PolarHBondContact O-N 3.31Å; I170-N174 VanDerWaalsContact O-N 3.1Å; R171-N174 PolarHBondContact O-N 2.65Å; W172-N174 PolarHBondContact O-N 2.71Å; N174-S176 PolarHBondContact ND2-OG 3.39Å; N174-S176 PolarHBondContact O-N 2.99Å
175G59.6Low55.7Low21 Ų2181.5 Ų81.522%0.21642%0.419CS..THydrogen-bonded Turntrans71.88.8-17800000114.4R171 W172 D177 S182 Q183R171-G175 PolarHBondContact O-N 3.45Å; W172-G175 WeakPolarHBondContact O-CA 2.94Å; W172-G175 PolarHBondContact O-N 3.07Å; G175-D177 PolarHBondContact O-N 2.8Å; G175-S182 VanDerWaalsContact O-CA 3.26Å; G175-S182 WeakPolarHBondContact O-CA 3.25Å; G175-Q183 PolarHBondContact O-N 3.1Å; G175-Q183 VanDerWaalsContact O-N 3.13Å
176S46.5Very low54.1Low34 Ų3484.9 Ų84.924%0.23844%0.444CS..BIsolated β-bridgetrans-76.9114.6-178.1-47.80000109.7R171 N174R171-S176 PolarHBondContact O-N 3.16Å; R171-S176 VanDerWaalsContact O-N 3.13Å; N174-S176 PolarHBondContact ND2-OG 3.39Å; N174-S176 PolarHBondContact O-N 2.99Å
177D39.9Very low51.9Low71 Ų7191.9 Ų91.938%0.3848%0.482SS..  trans-66.3174.4162.367.37.9000110.7G175 N179 G180 Q181G175-D177 PolarHBondContact O-N 2.8Å; D177-N179 PolarHBondContact O-N 3.1Å; D177-N179 VanDerWaalsContact OD1-C 3.3Å; D177-N179 WeakPolarHBondContact OD1-CA 3.3Å; D177-N179 PolarHBondContact OD1-N 3.49Å; D177-N179 VanDerWaalsContact OD1-N 3.1Å; D177-G180 PolarHBondContact O-N 3.33Å; D177-G180 PolarHBondContact OD1-N 3.16Å; D177-Q181 PolarHBondContact N-O 3.47Å; D177-Q181 PolarHBondContact OD1-N 3.1Å
178E43Very low49.7Very low202 Ų20299.4 Ų99.494%0.94451%0.513SS*.THydrogen-bonded Turntrans-58-14.9179.8-62.7-171.516300113.3
179N39.9Very low47.8Very low145 Ų14598.9 Ų98.978%0.77553%0.533SS*.THydrogen-bonded Turntrans-1037177.6-63.4-37.6000113.6D177D177-N179 PolarHBondContact O-N 3.1Å; D177-N179 VanDerWaalsContact OD1-C 3.3Å; D177-N179 WeakPolarHBondContact OD1-CA 3.3Å; D177-N179 PolarHBondContact OD1-N 3.49Å; D177-N179 VanDerWaalsContact OD1-N 3.1Å
180G31.6Very low46Very low57 Ų57104.1 Ų104.159%0.58856%0.556SS**  trans78.212.8172.700000115.7D177D177-G180 PolarHBondContact O-N 3.33Å; D177-G180 PolarHBondContact OD1-N 3.16Å
181Q27.7Very low44.1Very low141 Ų141110.9 Ų110.966%0.65959%0.592SS**  trans-90.5128.3175.2-65.8-167.5-3.700110.6D177 Q183D177-Q181 PolarHBondContact N-O 3.47Å; D177-Q181 PolarHBondContact OD1-N 3.1Å; Q181-Q183 PolarHBondContact O-N 2.83Å
182S36Very low42.1Very low83 Ų83109.5 Ų109.558%0.5859%0.588SS**BIsolated β-bridgetrans-79.1102.6178.472.50000110.6G175 H184G175-S182 VanDerWaalsContact O-CA 3.26Å; G175-S182 WeakPolarHBondContact O-CA 3.25Å; S182-H184 PolarHBondContact O-N 3.04Å
183Q36.6Very low40.6Very low147 Ų147112.8 Ų112.869%0.68761%0.607SS**  trans-86.5107.2161-76.2-173.9-4.600107.7G175 Q181 I185G175-Q183 PolarHBondContact O-N 3.1Å; G175-Q183 VanDerWaalsContact O-N 3.13Å; Q181-Q183 PolarHBondContact O-N 2.83Å; Q183-I185 PolarHBondContact O-N 3.28Å
184H36.9Very low39.1Very low177 Ų177115.1 Ų115.182%0.81963%0.625SS**  trans-55.6104.6163.3-87.8-60.9000107.9S182 S186S182-H184 PolarHBondContact O-N 3.04Å; H184-S186 PolarHBondContact O-N 3.21Å
185I38.8Very low37.5Very low102 Ų102115.8 Ų115.852%0.52362%0.624SS.*  trans-75.377.3165.3-53.5174.6000106.1W172 Q183W172-I185 HydrophobicContact CZ2-CD1 4.46Å; Q183-I185 PolarHBondContact O-N 3.28Å
186S34.5Very low36.6Very low96 Ų96121.7 Ų121.767%0.67164%0.644SS**  trans-71.2132.9156.453.10000107.7H184H184-S186 PolarHBondContact O-N 3.21Å
187D31.2Very low36.4Very low148 Ų148127.8 Ų127.879%0.79167%0.669SS**  trans70.7102.6172.5-67.6-27.1000119.3
188K31.9Very low36.5Very low198 Ų198131.9 Ų131.986%0.86168%0.68SS**  -141.8114124.5-69.1-164.2178.8177.80108.8F190K188-F190 PolarHBondContact O-N 3.05Å; K188-F190 VanDerWaalsContact O-N 3.14Å
189G31.4Very low36.4Very low89 Ų89124.2 Ų124.292%0.91865%0.645SS**  trans-56.4108.1-16900000115.4
190F33.9Very low36.5Very low115 Ų115122.1 Ų122.150%0.50463%0.631SS.*  trans-102.3118.9171.2-138.2-88.8000109.1K188K188-F190 PolarHBondContact O-N 3.05Å; K188-F190 VanDerWaalsContact O-N 3.14Å
191N36.7Very low37.1Very low144 Ų144122.9 Ų122.977%0.7763%0.626SS**  trans-91.8128.9-175.6-154.4-7.6000110.7H193N191-H193 PolarHBondContact O-N 2.85Å
192Y34.2Very low37.7Very low134 Ų134117.1 Ų117.153%0.52560%0.603SS.*  trans-87.12-159.2-178.5-93.4000116Q26 K195Q26-Y192 VanDerWaalsContact NE2-CG 3.31Å; Q26-Y192 PolarHBondContact NE2-O 3.32Å; Q26-Y192 PolarHBondContact OE1-O 2.67Å; Y192-K195 VanDerWaalsContact CE1-NZ 3.25Å; Y192-K195 PolarHBondContact OH-NZ 3.05Å
193H35.1Very low38Very low167 Ų167116.5 Ų116.577%0.77359%0.591SS**  trans-107.38.6-155.7-98.755000119N191N191-H193 PolarHBondContact O-N 2.85Å
194S39Very low38.5Very low73 Ų73112.5 Ų112.551%0.5158%0.579SS.*  trans-123.680.5-18059.90000112.5
195K43.9Very low38.8Very low87 Ų87106.2 Ų106.238%0.37855%0.553SS.*  trans-91.9-42.7-159.2-79.7178.3171.6-171.50118.2Q26 Y192Q26-K195 HydrophobicContact CB-CG 4.13Å; Y192-K195 VanDerWaalsContact CE1-NZ 3.25Å; Y192-K195 PolarHBondContact OH-NZ 3.05Å
196K40.9Very low39Very low145 Ų145102.8 Ų102.863%0.6354%0.536SS*.SBendtrans-92.9-49.9-162.2-168.2177.3178.2-179.20115.1Y198 L199 E200K196-Y198 PolarHBondContact O-N 3.12Å; K196-L199 PolarHBondContact O-N 3.31Å; K196-E200 WeakPolarHBondContact CE-OE1 3.14Å; K196-E200 PolarHBondContact O-N 3.37Å
197E41.9Very low39.6Very low162 Ų162104.5 Ų104.576%0.75753%0.531SS*.Hα-helixtrans-69.2-34-170.7-64.9175.5170.700113.3C201E197-C201 PolarHBondContact O-N 3.36Å
198Y40.6Very low40.4Very low158 Ų158102.2 Ų102.262%0.6252%0.518SS*.Hα-helixtrans-71.6-32.4178.5-71.5-72.1000112.9K196 A202K196-Y198 PolarHBondContact O-N 3.12Å; Y198-A202 PolarHBondContact O-N 2.86Å
199L41.3Very low41.1Very low40 Ų4095.6 Ų95.621%0.20949%0.49CS..Hα-helixtrans-68.9-47.9178.1178.664000111.7K196 C201 A202 Q203K196-L199 PolarHBondContact O-N 3.31Å; L199-C201 PolarHBondContact O-N 2.95Å; L199-A202 PolarHBondContact O-N 3.17Å; L199-A202 VanDerWaalsContact O-N 3.17Å; L199-Q203 WeakPolarHBondContact O-CG 3.35Å; L199-Q203 PolarHBondContact O-N 3.33Å
200E43.2Very low41.8Very low101 Ų10193.2 Ų93.247%0.47245%0.453SS..Hα-helixtrans-59-38.8176.4-69.7177.2-177.200111.2K196 S204K196-E200 WeakPolarHBondContact CE-OE1 3.14Å; K196-E200 PolarHBondContact O-N 3.37Å; E200-S204 VanDerWaalsContact O-CB 3.25Å; E200-S204 WeakPolarHBondContact O-CB 3.34Å; E200-S204 PolarHBondContact O-N 2.96Å
201C42.8Very low42.3Very low73 Ų7390.8 Ų90.849%0.49345%0.448SS..Hα-helixtrans-62.7-48.4174.7-174.40000111.9E197 L199 S204 V205E197-C201 PolarHBondContact O-N 3.36Å; L199-C201 PolarHBondContact O-N 2.95Å; C201-S204 PolarHBondContact O-N 2.77Å; C201-V205 WeakPolarHBondContact O-CB 3.31Å; C201-V205 VanDerWaalsContact O-CG2 3.22Å; C201-V205 WeakPolarHBondContact O-CG2 3.39Å; C201-V205 PolarHBondContact O-N 2.88Å
202A41Very low43Very low21 Ų2189.3 Ų89.317%0.17444%0.435CS..Hα-helixtrans-61.8-45.7178.900000112.3C23 Y198 L199 S204 V205 M206C23-A202 HydrophobicContact CB-CB 4.14Å; Y198-A202 PolarHBondContact O-N 2.86Å; L199-A202 PolarHBondContact O-N 3.17Å; L199-A202 VanDerWaalsContact O-N 3.17Å; A202-S204 PolarHBondContact O-N 3.06Å; A202-V205 PolarHBondContact O-N 3.42Å; A202-M206 WeakPolarHBondContact O-CB 3.46Å; A202-M206 WeakPolarHBondContact O-CG 3.47Å; A202-M206 PolarHBondContact O-N 2.73Å
203Q42.8Very low43.7Very low69 Ų6983.7 Ų83.732%0.32242%0.415SS..Hα-helixtrans-58.2-46.5174.6-74175.3-23.200111.7T36 L199 M206 K207T36-Q203 PolarHBondContact OG1-NE2 3.06Å; L199-Q203 WeakPolarHBondContact O-CG 3.35Å; L199-Q203 PolarHBondContact O-N 3.33Å; Q203-M206 PolarHBondContact O-N 3.4Å; Q203-K207 VanDerWaalsContact O-CB 3.26Å; Q203-K207 WeakPolarHBondContact O-CB 3.18Å; Q203-K207 PolarHBondContact O-N 3.36Å
204S45.4Very low44.3Very low63 Ų6376.4 Ų76.444%0.44138%0.382SS..Hα-helixtrans-62.1-47.5178.1-176.40000111.6E200 C201 A202 M206 K207 I208E200-S204 VanDerWaalsContact O-CB 3.25Å; E200-S204 WeakPolarHBondContact O-CB 3.34Å; E200-S204 PolarHBondContact O-N 2.96Å; C201-S204 PolarHBondContact O-N 2.77Å; A202-S204 PolarHBondContact O-N 3.06Å; S204-M206 PolarHBondContact O-N 2.97Å; S204-K207 PolarHBondContact O-N 3.31Å; S204-I208 WeakPolarHBondContact O-CB 2.93Å; S204-I208 WeakPolarHBondContact O-CD1 2.99Å; S204-I208 WeakPolarHBondContact O-CG1 3.37Å; S204-I208 PolarHBondContact O-N 3.41Å
205V43.1Very low44.9Very low46 Ų4677 Ų7728%0.27938%0.383SS..Hα-helixtrans-62.6-43.5179.2169.10000111.3C201 A202 I208 H209C201-V205 WeakPolarHBondContact O-CB 3.31Å; C201-V205 VanDerWaalsContact O-CG2 3.22Å; C201-V205 WeakPolarHBondContact O-CG2 3.39Å; C201-V205 PolarHBondContact O-N 2.88Å; A202-V205 PolarHBondContact O-N 3.42Å; V205-I208 PolarHBondContact O-N 3.24Å; V205-H209 PolarHBondContact O-CD2 3.46Å; V205-H209 PolarHBondContact O-N 2.91Å
206M44.3Very low45.3Very low30 Ų3074.4 Ų74.415%0.14837%0.373CS..Hα-helixtrans-64-47.2174.7-74.1-173.477.500111.5Y40 A202 Q203 S204 I208 H209 R210 L264Y40-M206 HydrophobicContact CE1-CE 3.94Å; Y40-M206 WeakPolarHBondContact OH-CE 2.96Å; Y40-M206 PolarHBondContact OH-SD 3.17Å; A202-M206 WeakPolarHBondContact O-CB 3.46Å; A202-M206 WeakPolarHBondContact O-CG 3.47Å; A202-M206 PolarHBondContact O-N 2.73Å; Q203-M206 PolarHBondContact O-N 3.4Å; S204-M206 PolarHBondContact O-N 2.97Å; M206-I208 PolarHBondContact O-N 2.56Å; M206-H209 PolarHBondContact O-N 2.68Å; M206-R210 WeakPolarHBondContact O-CA 3.45Å; M206-R210 WeakPolarHBondContact O-CB 3.42Å; M206-R210 PolarHBondContact O-N 2.74Å; M206-L264 HydrophobicContact CE-CD1 3.47Å; M206-L264 VanDerWaalsContact CE-CD1 3.47Å; M206-L264 HydrophobicContact CG-CD1 4.44Å; M206-L264 HydrophobicContact SD-CD1 3.45Å; M206-L264 WeakPolarHBondContact SD-CD1 3.4Å
207K47.1Very low45.6Very low132 Ų13268.1 Ų68.157%0.57435%0.347SS*.Hα-helixtrans-55.4-42.2175.2-174178.2-178.2176.50111Q203 S204 T211Q203-K207 VanDerWaalsContact O-CB 3.26Å; Q203-K207 WeakPolarHBondContact O-CB 3.18Å; Q203-K207 PolarHBondContact O-N 3.36Å; S204-K207 PolarHBondContact O-N 3.31Å; K207-T211 WeakPolarHBondContact O-CB 3.36Å; K207-T211 PolarHBondContact O-N 3.36Å; K207-T211 PolarHBondContact O-OG1 3.04Å
208I47.7Very low46Very low100 Ų10065.9 Ų65.951%0.51333%0.331SS..Hα-helixtrans-64.1-54.9176.7-70162.1000111.1S204 V205 M206 R210 T211 K212S204-I208 WeakPolarHBondContact O-CB 2.93Å; S204-I208 WeakPolarHBondContact O-CD1 2.99Å; S204-I208 WeakPolarHBondContact O-CG1 3.37Å; S204-I208 PolarHBondContact O-N 3.41Å; V205-I208 PolarHBondContact O-N 3.24Å; M206-I208 PolarHBondContact O-N 2.56Å; I208-R210 VanDerWaalsContact C-N 3.26Å; I208-R210 PolarHBondContact O-N 2.86Å; I208-T211 PolarHBondContact O-N 3.22Å; I208-K212 VanDerWaalsContact O-CB 3.31Å; I208-K212 WeakPolarHBondContact O-CB 3.06Å; I208-K212 PolarHBondContact O-N 3.18Å
209H46.6Very low46.8Very low59 Ų5960.8 Ų60.827%0.27332%0.319SS..Hα-helixtrans-65.2-32.2-178.3-79-70.4000112.6V205 M206 K212 A213 R260V205-H209 PolarHBondContact O-CD2 3.46Å; V205-H209 PolarHBondContact O-N 2.91Å; M206-H209 PolarHBondContact O-N 2.68Å; H209-K212 WeakPolarHBondContact O-CB 3.17Å; H209-A213 WeakPolarHBondContact O-CB 3.17Å; H209-A213 PolarHBondContact O-N 3.12Å; H209-R260 PolarHBondContact CD2-NH1 3.45Å; H209-R260 VanDerWaalsContact CD2-NH1 3.3Å; H209-R260 VanDerWaalsContact NE2-CZ 3.26Å; H209-R260 PolarHBondContact NE2-NH1 2.98Å; H209-R260 PolarHBondContact NE2-NH2 3.06Å
210R45.2Very low47.3Very low38 Ų3859 Ų5914%0.14331%0.309CS..Hα-helixtrans-71.2-49.5175-178.6173.6-172.9-171.116.6112.2E39 Y40 L43 M206 I208 K212 A213 E214E39-R210 PolarHBondContact O-NH1 3.21Å; Y40-R210 VanDerWaalsContact CA-NH1 3.35Å; Y40-R210 PolarHBondContact O-NH2 2.86Å; L43-R210 HydrophobicContact CD1-CG 4.29Å; L43-R210 VanDerWaalsContact CD1-CZ 3.46Å; M206-R210 WeakPolarHBondContact O-CA 3.45Å; M206-R210 WeakPolarHBondContact O-CB 3.42Å; M206-R210 PolarHBondContact O-N 2.74Å; I208-R210 VanDerWaalsContact C-N 3.26Å; I208-R210 PolarHBondContact O-N 2.86Å; R210-K212 PolarHBondContact O-N 3.35Å; R210-A213 PolarHBondContact O-N 3.17Å; R210-A213 VanDerWaalsContact O-N 3.11Å; R210-E214 IonicContact NE-OE1 3.48Å; R210-E214 WeakPolarHBondContact O-CB 3.04Å; R210-E214 WeakPolarHBondContact O-CG 3.44Å; R210-E214 PolarHBondContact O-N 3.04Å
211T45.6Very low47.6Very low65 Ų6555.1 Ų55.140%0.39929%0.293SS..Hα-helixtrans-55.2-41.4173.3-58.80000109.6K207 I208 E214 V215K207-T211 WeakPolarHBondContact O-CB 3.36Å; K207-T211 PolarHBondContact O-N 3.36Å; K207-T211 PolarHBondContact O-OG1 3.04Å; I208-T211 PolarHBondContact O-N 3.22Å; T211-E214 PolarHBondContact O-N 2.8Å; T211-V215 HydrophobicContact CG2-CG2 4.5Å; T211-V215 WeakPolarHBondContact O-CB 3.39Å; T211-V215 WeakPolarHBondContact O-CG2 3.43Å; T211-V215 PolarHBondContact O-N 3.47Å
212K51.9Low48.1Very low113 Ų11353 Ų5349%0.49128%0.284SS..Hα-helixtrans-62.5-51.2174.3-174176.5-179.81790112.5I208 H209 R210 E214 V215 D216I208-K212 VanDerWaalsContact O-CB 3.31Å; I208-K212 WeakPolarHBondContact O-CB 3.06Å; I208-K212 PolarHBondContact O-N 3.18Å; H209-K212 WeakPolarHBondContact O-CB 3.17Å; R210-K212 PolarHBondContact O-N 3.35Å; K212-E214 VanDerWaalsContact C-N 3.27Å; K212-E214 PolarHBondContact O-N 3.25Å; K212-V215 PolarHBondContact O-N 3.3Å; K212-D216 WeakPolarHBondContact O-CB 3.33Å; K212-D216 PolarHBondContact O-N 3.35Å
213A48.9Very low49.1Very low15 Ų1553.2 Ų53.212%0.12428%0.281CS..Hα-helixtrans-60.7-35.7178.800000112.6H209 R210 C217H209-A213 WeakPolarHBondContact O-CB 3.17Å; H209-A213 PolarHBondContact O-N 3.12Å; R210-A213 PolarHBondContact O-N 3.17Å; R210-A213 VanDerWaalsContact O-N 3.11Å; A213-C217 VanDerWaalsContact O-CB 3.27Å; A213-C217 WeakPolarHBondContact O-CB 3.48Å; A213-C217 PolarHBondContact O-N 3.15Å
214E46.2Very low49.5Very low14 Ų1452.7 Ų52.77%0.06528%0.277CS..Hα-helixtrans-68.1-46.4174.7-76.4-178.8-160.500112.9L43 R210 T211 K212 D216 C217 R218L43-E214 WeakPolarHBondContact CB-OE1 3.11Å; L43-E214 VanDerWaalsContact CD2-CD 3.44Å; L43-E214 WeakPolarHBondContact CD2-OE1 3.16Å; L43-E214 WeakPolarHBondContact CD2-OE2 3.37Å; R210-E214 IonicContact NE-OE1 3.48Å; R210-E214 WeakPolarHBondContact O-CB 3.04Å; R210-E214 WeakPolarHBondContact O-CG 3.44Å; R210-E214 PolarHBondContact O-N 3.04Å; T211-E214 PolarHBondContact O-N 2.8Å; K212-E214 VanDerWaalsContact C-N 3.27Å; K212-E214 PolarHBondContact O-N 3.25Å; E214-D216 VanDerWaalsContact C-N 3.3Å; E214-D216 PolarHBondContact O-N 3.04Å; E214-C217 PolarHBondContact O-N 2.97Å; E214-R218 WeakPolarHBondContact O-CG 3.4Å; E214-R218 PolarHBondContact O-N 3.4Å
215V51.8Low49.8Very low87 Ų8752.2 Ų52.253%0.52727%0.27SS..Hα-helixtrans-60.2-44.7175.3168.80000109.8T211 K212 C217 R218 S219T211-V215 HydrophobicContact CG2-CG2 4.5Å; T211-V215 WeakPolarHBondContact O-CB 3.39Å; T211-V215 WeakPolarHBondContact O-CG2 3.43Å; T211-V215 PolarHBondContact O-N 3.47Å; K212-V215 PolarHBondContact O-N 3.3Å; V215-C217 PolarHBondContact O-N 2.91Å; V215-R218 PolarHBondContact O-N 3.07Å; V215-S219 VanDerWaalsContact O-CB 3.25Å; V215-S219 WeakPolarHBondContact O-CB 3.23Å; V215-S219 PolarHBondContact O-N 3.22Å
216D53Low50.7Low32 Ų3254.5 Ų54.517%0.17128%0.276CS..Hα-helixtrans-62.4-43177.4-67.9-14.2000111.2K212 E214 S219 T220 F250 S253K212-D216 WeakPolarHBondContact O-CB 3.33Å; K212-D216 PolarHBondContact O-N 3.35Å; E214-D216 VanDerWaalsContact C-N 3.3Å; E214-D216 PolarHBondContact O-N 3.04Å; D216-S219 PolarHBondContact O-N 3.45Å; D216-T220 WeakPolarHBondContact O-CB 3.42Å; D216-T220 PolarHBondContact O-N 3.04Å; D216-T220 PolarHBondContact O-OG1 3.23Å; D216-F250 HydrophobicContact CB-CD2 3.85Å; D216-S253 PolarHBondContact OD2-OG 2.89Å
217C48.3Very low51.3Low13 Ų1354.5 Ų54.59%0.08828%0.276CS..Hα-helixtrans-63.8-49.7177.3-176.50000112.1A213 E214 V215 S219 T220 V221 F250A213-C217 VanDerWaalsContact O-CB 3.27Å; A213-C217 WeakPolarHBondContact O-CB 3.48Å; A213-C217 PolarHBondContact O-N 3.15Å; E214-C217 PolarHBondContact O-N 2.97Å; V215-C217 PolarHBondContact O-N 2.91Å; C217-S219 VanDerWaalsContact C-N 3.28Å; C217-S219 PolarHBondContact O-N 2.83Å; C217-T220 WeakPolarHBondContact O-CB 3.29Å; C217-T220 PolarHBondContact O-N 2.75Å; C217-V221 WeakPolarHBondContact O-CG2 3.46Å; C217-V221 PolarHBondContact O-N 3.4Å; C217-F250 HydrophobicContact CB-CE2 3.76Å; C217-F250 HydrophobicContact CB-CZ 4.1Å
218R49.1Very low51.7Low115 Ų11552.1 Ų52.143%0.43427%0.267SS..Hα-helixtrans-59.9-40.7177.1-70.2180-165-161.77.6111.6I50 E214 V215 V221 G222I50-R218 HydrophobicContact CD1-CG 4.45Å; E214-R218 WeakPolarHBondContact O-CG 3.4Å; E214-R218 PolarHBondContact O-N 3.4Å; V215-R218 PolarHBondContact O-N 3.07Å; R218-V221 PolarHBondContact O-N 2.8Å; R218-G222 PolarHBondContact O-N 2.96Å
219S57.3Low52.4Low50 Ų5055 Ų5535%0.3528%0.279SS..Hα-helixtrans-61.7-47.3175.4-172.20000111.3V215 D216 C217 V221 G222 E223V215-S219 VanDerWaalsContact O-CB 3.25Å; V215-S219 WeakPolarHBondContact O-CB 3.23Å; V215-S219 PolarHBondContact O-N 3.22Å; D216-S219 PolarHBondContact O-N 3.45Å; C217-S219 VanDerWaalsContact C-N 3.28Å; C217-S219 PolarHBondContact O-N 2.83Å; S219-V221 PolarHBondContact O-N 3.48Å; S219-G222 PolarHBondContact O-N 2.72Å; S219-E223 PolarHBondContact O-N 3.21Å
220T53Low53.3Low3 Ų354.3 Ų54.32%0.01828%0.278CS..Hα-helixtrans-57.3-48177.1-53.50000111.4L8 D216 C217 F224 F243 I246L8-T220 HydrophobicContact CD2-CG2 4.36Å; D216-T220 WeakPolarHBondContact O-CB 3.42Å; D216-T220 PolarHBondContact O-N 3.04Å; D216-T220 PolarHBondContact O-OG1 3.23Å; C217-T220 WeakPolarHBondContact O-CB 3.29Å; C217-T220 PolarHBondContact O-N 2.75Å; T220-F224 WeakPolarHBondContact O-CB 3.12Å; T220-F224 PolarHBondContact O-N 2.75Å; T220-F243 HydrophobicContact CG2-CD2 4.31Å; T220-F243 HydrophobicContact CG2-CE2 3.58Å; T220-F243 HydrophobicContact CG2-CZ 4.21Å; T220-F243 WeakPolarHBondContact O-CE2 3.48Å; T220-I246 VanDerWaalsContact OG1-CG2 3.29Å; T220-I246 WeakPolarHBondContact OG1-CG2 3.34Å
221V48.6Very low54.5Low20 Ų2058.6 Ų58.612%0.12130%0.298CS..Hα-helixtrans-67.4-41.2179.1178.10000111.4L54 C217 R218 S219 E223 F224 L225L54-V221 HydrophobicContact CD1-CG1 3.72Å; C217-V221 WeakPolarHBondContact O-CG2 3.46Å; C217-V221 PolarHBondContact O-N 3.4Å; R218-V221 PolarHBondContact O-N 2.8Å; S219-V221 PolarHBondContact O-N 3.48Å; V221-E223 PolarHBondContact O-N 2.8Å; V221-F224 PolarHBondContact O-N 3.42Å; V221-L225 HydrophobicContact CG1-CD1 4.14Å; V221-L225 HydrophobicContact CG1-CG 4.36Å; V221-L225 WeakPolarHBondContact O-CG 3.19Å; V221-L225 PolarHBondContact O-N 3.39Å
222G53.8Low55.9Low29 Ų2962.1 Ų62.130%0.29932%0.315SS..Hα-helixtrans-59.4-45.9176.900000112.6R218 S219 L225 K226R218-G222 PolarHBondContact O-N 2.96Å; S219-G222 PolarHBondContact O-N 2.72Å; G222-L225 PolarHBondContact O-N 3.28Å; G222-K226 WeakPolarHBondContact O-CG 3.25Å; G222-K226 PolarHBondContact O-N 2.77Å; G222-K226 VanDerWaalsContact O-N 3.09Å
223E60.7Low57.1Low25 Ų2559.3 Ų59.312%0.11731%0.307CS..Hα-helixtrans-68.8-35.9176.7-72.2-51.6133.100112.7S219 V221 K226 L227 F243 I246S219-E223 PolarHBondContact O-N 3.21Å; V221-E223 PolarHBondContact O-N 2.8Å; E223-K226 PolarHBondContact O-N 3.46Å; E223-K226 IonicContact OE1-NZ 2.72Å; E223-K226 PolarHBondContact OE1-NZ 3.35Å; E223-L227 WeakPolarHBondContact O-CB 3.16Å; E223-L227 PolarHBondContact O-N 2.76Å; E223-F243 HydrophobicContact CB-CB 4.43Å; E223-F243 HydrophobicContact CB-CD2 4.3Å; E223-I246 HydrophobicContact CB-CD1 4.37Å; E223-I246 HydrophobicContact CG-CD1 3.6Å
224F52.8Low58.6Low57 Ų5763.9 Ų63.925%0.2534%0.335CS..Hα-helixtrans-60.5-47.2172.2179.4-100.1000112.1Y5 T220 V221 K226 L227 Q228 F243Y5-F224 HydrophobicContact CE2-CD1 4.46Å; Y5-F224 HydrophobicContact CE2-CE1 4.23Å; T220-F224 WeakPolarHBondContact O-CB 3.12Å; T220-F224 PolarHBondContact O-N 2.75Å; V221-F224 PolarHBondContact O-N 3.42Å; F224-K226 VanDerWaalsContact C-N 3.32Å; F224-K226 PolarHBondContact O-N 3.39Å; F224-L227 WeakPolarHBondContact O-CB 3.36Å; F224-L227 PolarHBondContact O-N 3.44Å; F224-Q228 HydrophobicContact CD1-CG 4.18Å; F224-Q228 HydrophobicContact CE1-CG 3.71Å; F224-Q228 HydrophobicContact CE2-CG 4.24Å; F224-Q228 VanDerWaalsContact CE2-NE2 3.33Å; F224-Q228 HydrophobicContact CZ-CG 3.74Å; F224-Q228 WeakPolarHBondContact O-CG 3.23Å; F224-Q228 PolarHBondContact O-N 3.13Å; F224-F243 HydrophobicContact CB-CD2 4.01Å; F224-F243 HydrophobicContact CB-CE2 3.65Å; F224-F243 HydrophobicContact CB-CZ 4.43Å; F224-F243 HydrophobicContact CD2-CE2 4.21Å; F224-F243 HydrophobicContact CD2-CZ 4.2Å; F224-F243 HydrophobicContact CG-CE2 4.38Å
225L50.2Low60.2Low54 Ų5466 Ų6628%0.28335%0.351SS..Hα-helixtrans-62.1-41.1179.7-71174.1000111.5L54 V221 G222 Q228 Q229L54-L225 HydrophobicContact CD2-CD1 4.32Å; V221-L225 HydrophobicContact CG1-CD1 4.14Å; V221-L225 HydrophobicContact CG1-CG 4.36Å; V221-L225 WeakPolarHBondContact O-CG 3.19Å; V221-L225 PolarHBondContact O-N 3.39Å; G222-L225 PolarHBondContact O-N 3.28Å; L225-Q228 PolarHBondContact O-N 3.47Å; L225-Q229 WeakPolarHBondContact O-CG 3.02Å; L225-Q229 PolarHBondContact O-N 3.3Å; L225-Q229 VanDerWaalsContact O-N 3.11Å
226K62.2Low61.3Low94 Ų9462.5 Ų62.541%0.40933%0.331SS..Hα-helixtrans-61-46.9172.9-71.4174.2-172.6171.10111.5G222 E223 F224 Q228 Q229 V230 Q239G222-K226 WeakPolarHBondContact O-CG 3.25Å; G222-K226 PolarHBondContact O-N 2.77Å; G222-K226 VanDerWaalsContact O-N 3.09Å; E223-K226 PolarHBondContact O-N 3.46Å; E223-K226 IonicContact OE1-NZ 2.72Å; E223-K226 PolarHBondContact OE1-NZ 3.35Å; F224-K226 VanDerWaalsContact C-N 3.32Å; F224-K226 PolarHBondContact O-N 3.39Å; K226-Q228 VanDerWaalsContact C-N 3.25Å; K226-Q228 PolarHBondContact O-N 2.9Å; K226-Q229 WeakPolarHBondContact O-CB 3.14Å; K226-Q229 PolarHBondContact O-N 3.35Å; K226-V230 PolarHBondContact O-N 3.46Å; K226-Q239 PolarHBondContact O-OE1 3.31Å
227L58Low62.6Low30 Ų3068.5 Ų68.516%0.15736%0.356CS..Hα-helixtrans-56.5-40.6177.9179.365.7000111.8E223 F224 K231 S236 Q239 A240E223-L227 WeakPolarHBondContact O-CB 3.16Å; E223-L227 PolarHBondContact O-N 2.76Å; F224-L227 WeakPolarHBondContact O-CB 3.36Å; F224-L227 PolarHBondContact O-N 3.44Å; L227-K231 PolarHBondContact O-N 3.08Å; L227-S236 WeakPolarHBondContact CD1-O 3.18Å; L227-Q239 HydrophobicContact CB-CB 4.44Å; L227-Q239 HydrophobicContact CD1-CB 4.02Å; L227-Q239 VanDerWaalsContact N-OE1 3.12Å; L227-A240 HydrophobicContact CD1-CB 3.98Å; L227-A240 HydrophobicContact CD2-CB 4.34Å
228Q54.8Low64.2Low81 Ų8171.9 Ų71.938%0.37938%0.376SS..Hα-helixtrans-68.3-33.9176.1-65.7-53.6-43.300112.9F224 L225 K226F224-Q228 HydrophobicContact CD1-CG 4.18Å; F224-Q228 HydrophobicContact CE1-CG 3.71Å; F224-Q228 HydrophobicContact CE2-CG 4.24Å; F224-Q228 VanDerWaalsContact CE2-NE2 3.33Å; F224-Q228 HydrophobicContact CZ-CG 3.74Å; F224-Q228 WeakPolarHBondContact O-CG 3.23Å; F224-Q228 PolarHBondContact O-N 3.13Å; L225-Q228 PolarHBondContact O-N 3.47Å; K226-Q228 VanDerWaalsContact C-N 3.25Å; K226-Q228 PolarHBondContact O-N 2.9Å
229Q62.7Low65.3Low161 Ų16167.7 Ų67.775%0.75236%0.361SS*.Hα-helixtrans-69.6-31.1-179.9-74.7173.8-3.600113.5L225 K226L225-Q229 WeakPolarHBondContact O-CG 3.02Å; L225-Q229 PolarHBondContact O-N 3.3Å; L225-Q229 VanDerWaalsContact O-N 3.11Å; K226-Q229 WeakPolarHBondContact O-CB 3.14Å; K226-Q229 PolarHBondContact O-N 3.35Å
230V65.8Low66.1Low44 Ų4466.8 Ų66.827%0.26736%0.357SS..THydrogen-bonded Turntrans-112.322.2-176.3-57.60000113K226 T233 S236K226-V230 PolarHBondContact O-N 3.46Å; V230-T233 WeakPolarHBondContact O-CB 3.35Å; V230-T233 VanDerWaalsContact O-CG2 3.23Å; V230-T233 WeakPolarHBondContact O-CG2 3.28Å; V230-T233 PolarHBondContact O-N 3.27Å; V230-T233 PolarHBondContact O-OG1 2.88Å; V230-S236 WeakPolarHBondContact O-CB 3.45Å
231K68.9Low67.3Low128 Ų12871.3 Ų71.356%0.55738%0.38SS*.THydrogen-bonded Turntrans-47.1141.1-175-167.6-175.9171.1-175.50112.3L227 T233L227-K231 PolarHBondContact O-N 3.08Å; K231-T233 VanDerWaalsContact C-N 3.28Å; K231-T233 PolarHBondContact O-N 2.86Å
232D76Confident68.5Low140 Ų14074.8 Ų74.875%0.74940%0.395SS*.THydrogen-bonded Turntrans66.819.1178.5-52.1-43000115.6S236D232-S236 PolarHBondContact N-OG 2.86Å
233T77.5Confident69.3Low53 Ų5375 Ų7533%0.32539%0.387SS..SBendtrans-104.1162.417467.70000112.1V230 K231 S235 S236 K237V230-T233 WeakPolarHBondContact O-CB 3.35Å; V230-T233 VanDerWaalsContact O-CG2 3.23Å; V230-T233 WeakPolarHBondContact O-CG2 3.28Å; V230-T233 PolarHBondContact O-N 3.27Å; V230-T233 PolarHBondContact O-OG1 2.88Å; K231-T233 VanDerWaalsContact C-N 3.28Å; K231-T233 PolarHBondContact O-N 2.86Å; T233-S235 PolarHBondContact O-N 2.96Å; T233-S235 WeakPolarHBondContact OG1-CB 3.18Å; T233-S235 PolarHBondContact OG1-N 3.29Å; T233-S236 PolarHBondContact N-OG 3.3Å; T233-S236 PolarHBondContact O-N 3.46Å; T233-S236 PolarHBondContact O-OG 3.22Å; T233-S236 PolarHBondContact OG1-N 2.86Å; T233-S236 VanDerWaalsContact OG1-N 3.12Å; T233-K237 PolarHBondContact O-N 3.28Å
234P80.6Confident69.8Low112 Ų11278.2 Ų78.273%0.72741%0.406SS*.Hα-helixtrans-54.6-32.4166.8-26.835.7000113S236 K237P234-S236 VanDerWaalsContact C-N 3.35Å; P234-K237 PolarHBondContact O-N 3.41Å
235S78.9Confident70.9Confident57 Ų5781.8 Ų81.840%0.39942%0.421SS..Hα-helixtrans-63.2-39174.5-171.30000112T233 K237 T238 Q239T233-S235 PolarHBondContact O-N 2.96Å; T233-S235 WeakPolarHBondContact OG1-CB 3.18Å; T233-S235 PolarHBondContact OG1-N 3.29Å; S235-K237 VanDerWaalsContact C-N 3.3Å; S235-K237 PolarHBondContact O-N 2.74Å; S235-T238 PolarHBondContact O-N 3.5Å; S235-Q239 WeakPolarHBondContact O-CG 3.41Å; S235-Q239 PolarHBondContact O-N 3.5Å
236S75.4Confident71.5Confident15 Ų1581 Ų8111%0.10542%0.416CS..Hα-helixtrans-63.8-34.2178.376.30000112.5L227 V230 D232 T233 P234 Q239 A240L227-S236 WeakPolarHBondContact CD1-O 3.18Å; V230-S236 WeakPolarHBondContact O-CB 3.45Å; D232-S236 PolarHBondContact N-OG 2.86Å; T233-S236 PolarHBondContact N-OG 3.3Å; T233-S236 PolarHBondContact O-N 3.46Å; T233-S236 PolarHBondContact O-OG 3.22Å; T233-S236 PolarHBondContact OG1-N 2.86Å; T233-S236 VanDerWaalsContact OG1-N 3.12Å; P234-S236 VanDerWaalsContact C-N 3.35Å; S236-Q239 PolarHBondContact O-N 3.29Å; S236-A240 VanDerWaalsContact O-CB 3.27Å; S236-A240 WeakPolarHBondContact O-CB 3.18Å; S236-A240 PolarHBondContact O-N 3.35Å
237K79.1Confident71.6Confident158 Ų15878.2 Ų78.269%0.68741%0.406SS*.Hα-helixtrans-63.2-44.2175.5-66.2-173.3-178.1-179.20111.6T233 P234 S235 A240 I241T233-K237 PolarHBondContact O-N 3.28Å; P234-K237 PolarHBondContact O-N 3.41Å; S235-K237 VanDerWaalsContact C-N 3.3Å; S235-K237 PolarHBondContact O-N 2.74Å; K237-A240 PolarHBondContact O-N 3.03Å; K237-I241 WeakPolarHBondContact O-CG1 3Å; K237-I241 PolarHBondContact O-N 3.33Å
238T82.1Confident72.1Confident83 Ų8381.6 Ų81.651%0.50942%0.421SS..Hα-helixtrans-64.9-44.3176.8-57.40000111.5S235 A240 I241 Q242S235-T238 PolarHBondContact O-N 3.5Å; T238-A240 VanDerWaalsContact C-N 3.34Å; T238-A240 PolarHBondContact O-N 3.43Å; T238-I241 PolarHBondContact O-N 2.81Å; T238-Q242 PolarHBondContact O-N 2.81Å; T238-Q242 VanDerWaalsContact O-N 3.14Å
239Q72.8Confident72.5Confident28 Ų2882 Ų8213%0.13143%0.426CS..Hα-helixtrans-65.5-35.5177.2-72.8179.8-3.400112.4K226 L227 S235 S236 Q242 F243K226-Q239 PolarHBondContact O-OE1 3.31Å; L227-Q239 HydrophobicContact CB-CB 4.44Å; L227-Q239 HydrophobicContact CD1-CB 4.02Å; L227-Q239 VanDerWaalsContact N-OE1 3.12Å; S235-Q239 WeakPolarHBondContact O-CG 3.41Å; S235-Q239 PolarHBondContact O-N 3.5Å; S236-Q239 PolarHBondContact O-N 3.29Å; Q239-Q242 PolarHBondContact O-N 2.92Å; Q239-F243 VanDerWaalsContact O-CB 3.31Å; Q239-F243 WeakPolarHBondContact O-CB 3.5Å; Q239-F243 PolarHBondContact O-N 2.84Å
240A73.8Confident72.3Confident30 Ų3074.5 Ų74.525%0.24839%0.391CS..Hα-helixtrans-61.6-45.5175.700000111.3L227 S236 K237 T238 Q242 F243 D244L227-A240 HydrophobicContact CD1-CB 3.98Å; L227-A240 HydrophobicContact CD2-CB 4.34Å; S236-A240 VanDerWaalsContact O-CB 3.27Å; S236-A240 WeakPolarHBondContact O-CB 3.18Å; S236-A240 PolarHBondContact O-N 3.35Å; K237-A240 PolarHBondContact O-N 3.03Å; T238-A240 VanDerWaalsContact C-N 3.34Å; T238-A240 PolarHBondContact O-N 3.43Å; A240-Q242 VanDerWaalsContact C-N 3.31Å; A240-Q242 PolarHBondContact O-N 3.03Å; A240-F243 WeakPolarHBondContact O-CB 3.41Å; A240-F243 PolarHBondContact O-N 3.31Å; A240-D244 VanDerWaalsContact O-CG 3.28Å; A240-D244 PolarHBondContact O-N 2.77Å
241I78.7Confident71.9Confident98 Ų9875.4 Ų75.450%0.50339%0.394SS..Hα-helixtrans-62.3-39.3176.3-65.2166.8000111.4K237 T238 K245K237-I241 WeakPolarHBondContact O-CG1 3Å; K237-I241 PolarHBondContact O-N 3.33Å; T238-I241 PolarHBondContact O-N 2.81Å; I241-K245 WeakPolarHBondContact O-CG 3.11Å; I241-K245 PolarHBondContact O-N 2.7Å
242Q74.5Confident71.6Confident93 Ų9374.9 Ų74.944%0.43539%0.392SS..Hα-helixtrans-66.5-45.3175.9-73.1-178.6-2200111.5T238 Q239 A240 D244 K245 I246T238-Q242 PolarHBondContact O-N 2.81Å; T238-Q242 VanDerWaalsContact O-N 3.14Å; Q239-Q242 PolarHBondContact O-N 2.92Å; A240-Q242 VanDerWaalsContact C-N 3.31Å; A240-Q242 PolarHBondContact O-N 3.03Å; Q242-D244 PolarHBondContact O-N 3.4Å; Q242-K245 PolarHBondContact O-N 2.86Å; Q242-I246 VanDerWaalsContact O-CG1 3.31Å; Q242-I246 WeakPolarHBondContact O-CG1 3.41Å; Q242-I246 PolarHBondContact O-N 2.86Å
243F69.6Low70.6Confident33 Ų3369.5 Ų69.515%0.14537%0.365CS..Hα-helixtrans-57.4-48.4175.4175.3-97.2000111.2T220 E223 F224 Q239 A240 K245 I246 N247T220-F243 HydrophobicContact CG2-CD2 4.31Å; T220-F243 HydrophobicContact CG2-CE2 3.58Å; T220-F243 HydrophobicContact CG2-CZ 4.21Å; T220-F243 WeakPolarHBondContact O-CE2 3.48Å; E223-F243 HydrophobicContact CB-CB 4.43Å; E223-F243 HydrophobicContact CB-CD2 4.3Å; F224-F243 HydrophobicContact CB-CD2 4.01Å; F224-F243 HydrophobicContact CB-CE2 3.65Å; F224-F243 HydrophobicContact CB-CZ 4.43Å; F224-F243 HydrophobicContact CD2-CE2 4.21Å; F224-F243 HydrophobicContact CD2-CZ 4.2Å; F224-F243 HydrophobicContact CG-CE2 4.38Å; Q239-F243 VanDerWaalsContact O-CB 3.31Å; Q239-F243 WeakPolarHBondContact O-CB 3.5Å; Q239-F243 PolarHBondContact O-N 2.84Å; A240-F243 WeakPolarHBondContact O-CB 3.41Å; A240-F243 PolarHBondContact O-N 3.31Å; F243-K245 VanDerWaalsContact C-N 3.33Å; F243-K245 PolarHBondContact O-N 2.84Å; F243-I246 PolarHBondContact O-N 2.9Å; F243-N247 HydrophobicContact CE1-CB 4.44Å; F243-N247 WeakPolarHBondContact O-CB 3.09Å; F243-N247 PolarHBondContact O-N 3.19Å
244D72.4Confident69.3Low94 Ų9467.7 Ų67.750%0.50335%0.353SS..Hα-helixtrans-59.7-42.4179.5-71.2-21.9000112A240 Q242 N247 E248A240-D244 VanDerWaalsContact O-CG 3.28Å; A240-D244 PolarHBondContact O-N 2.77Å; Q242-D244 PolarHBondContact O-N 3.4Å; D244-N247 PolarHBondContact O-N 2.77Å; D244-E248 WeakPolarHBondContact O-CB 3.46Å; D244-E248 PolarHBondContact O-N 3.38Å
245K75.2Confident68.2Low131 Ų13167.3 Ų67.357%0.5735%0.349SS*.Hα-helixtrans-64.7-43.8176.2-74.5176.6-180-178.90112.6I241 Q242 F243 N247 E248 N249I241-K245 WeakPolarHBondContact O-CG 3.11Å; I241-K245 PolarHBondContact O-N 2.7Å; Q242-K245 PolarHBondContact O-N 2.86Å; F243-K245 VanDerWaalsContact C-N 3.33Å; F243-K245 PolarHBondContact O-N 2.84Å; K245-N247 VanDerWaalsContact C-N 3.34Å; K245-E248 PolarHBondContact O-N 3.45Å; K245-N249 WeakPolarHBondContact O-CB 3.14Å; K245-N249 PolarHBondContact O-N 2.76Å; K245-N249 PolarHBondContact O-ND2 3.4Å
246I62.8Low67.1Low37 Ų3767.3 Ų67.319%0.1934%0.342CS..Hα-helixtrans-65.7-42.8177.9-66.2163.9000109.5T220 E223 Q242 F243 N249 F250T220-I246 VanDerWaalsContact OG1-CG2 3.29Å; T220-I246 WeakPolarHBondContact OG1-CG2 3.34Å; E223-I246 HydrophobicContact CB-CD1 4.37Å; E223-I246 HydrophobicContact CG-CD1 3.6Å; Q242-I246 VanDerWaalsContact O-CG1 3.31Å; Q242-I246 WeakPolarHBondContact O-CG1 3.41Å; Q242-I246 PolarHBondContact O-N 2.86Å; F243-I246 PolarHBondContact O-N 2.9Å; I246-N249 PolarHBondContact O-N 3.41Å; I246-F250 VanDerWaalsContact O-CB 3.28Å; I246-F250 WeakPolarHBondContact O-CB 3.3Å; I246-F250 PolarHBondContact O-N 3.49Å
247N63Low65.9Low36 Ų3668.2 Ų68.219%0.19335%0.346CS..Hα-helixtrans-63.6-40.5177.5-173.743.1000112.1L8 F243 D244 K245 F250 N251L8-N247 WeakPolarHBondContact CD1-OD1 3.38Å; F243-N247 HydrophobicContact CE1-CB 4.44Å; F243-N247 WeakPolarHBondContact O-CB 3.09Å; F243-N247 PolarHBondContact O-N 3.19Å; D244-N247 PolarHBondContact O-N 2.77Å; K245-N247 VanDerWaalsContact C-N 3.34Å; N247-F250 WeakPolarHBondContact O-CB 3.08Å; N247-F250 PolarHBondContact O-N 2.9Å; N247-N251 WeakPolarHBondContact O-CB 3.2Å; N247-N251 VanDerWaalsContact O-CG 3.27Å; N247-N251 PolarHBondContact O-N 3.32Å; N247-N251 PolarHBondContact O-ND2 2.88Å
248E69.8Low64.5Low101 Ų10165 Ų6547%0.47233%0.332SS..Hα-helixtrans-63.1-46.8173.9-168.8-167.4157.900111.7D244 K245 F250 N251 K252D244-E248 WeakPolarHBondContact O-CB 3.46Å; D244-E248 PolarHBondContact O-N 3.38Å; K245-E248 PolarHBondContact O-N 3.45Å; E248-F250 VanDerWaalsContact C-N 3.31Å; E248-F250 PolarHBondContact O-N 2.8Å; E248-N251 PolarHBondContact O-N 3.49Å; E248-K252 WeakPolarHBondContact O-CG 3.11Å; E248-K252 PolarHBondContact O-N 3.11Å; E248-K252 VanDerWaalsContact OE1-CE 3.24Å; E248-K252 WeakPolarHBondContact OE1-CE 3.26Å; E248-K252 IonicContact OE1-NZ 3.62Å; E248-K252 PolarHBondContact OE1-NZ 3.18Å
249N62.9Low63.1Low90 Ų9066.5 Ų66.548%0.48133%0.328SS..Hα-helixtrans-61.5-41.5176.2-75.6-24000111.7K245 I246 K252 S253K245-N249 WeakPolarHBondContact O-CB 3.14Å; K245-N249 PolarHBondContact O-N 2.76Å; K245-N249 PolarHBondContact O-ND2 3.4Å; I246-N249 PolarHBondContact O-N 3.41Å; N249-K252 PolarHBondContact O-N 2.84Å; N249-S253 PolarHBondContact O-N 3.3Å; N249-S253 PolarHBondContact O-OG 3.34Å
250F57.6Low62Low3 Ų368.8 Ų68.81%0.01334%0.336CS..Hα-helixtrans-58.9-49.5174.4-179.6-114.4000111.1L8 V12 D216 C217 I246 N247 E248 K252 S253 L254L8-F250 HydrophobicContact CD1-CD1 4.19Å; L8-F250 HydrophobicContact CD1-CE1 4.25Å; L8-F250 HydrophobicContact CD2-CE1 4.4Å; L8-F250 HydrophobicContact CG-CE1 4.16Å; V12-F250 HydrophobicContact CG2-CE1 3.51Å; V12-F250 HydrophobicContact CG2-CZ 3.27Å; D216-F250 HydrophobicContact CB-CD2 3.85Å; C217-F250 HydrophobicContact CB-CE2 3.76Å; C217-F250 HydrophobicContact CB-CZ 4.1Å; I246-F250 VanDerWaalsContact O-CB 3.28Å; I246-F250 WeakPolarHBondContact O-CB 3.3Å; I246-F250 PolarHBondContact O-N 3.49Å; N247-F250 WeakPolarHBondContact O-CB 3.08Å; N247-F250 PolarHBondContact O-N 2.9Å; E248-F250 VanDerWaalsContact C-N 3.31Å; E248-F250 PolarHBondContact O-N 2.8Å; F250-K252 VanDerWaalsContact C-N 3.3Å; F250-K252 PolarHBondContact O-N 3.26Å; F250-S253 CarbonylContact O-C 3.59Å; F250-S253 WeakPolarHBondContact O-CB 3.1Å; F250-S253 PolarHBondContact O-N 2.78Å; F250-S253 VanDerWaalsContact O-N 3.15Å; F250-L254 HydrophobicContact CD1-CD1 3.74Å; F250-L254 HydrophobicContact CD1-CG 4.21Å; F250-L254 HydrophobicContact CD2-CG 4.44Å; F250-L254 HydrophobicContact CE1-CD1 3.38Å; F250-L254 HydrophobicContact CE1-CD2 4.39Å; F250-L254 HydrophobicContact CE1-CG 3.99Å; F250-L254 HydrophobicContact CE2-CD1 4.47Å; F250-L254 HydrophobicContact CE2-CD2 4.13Å; F250-L254 HydrophobicContact CE2-CG 4.2Å; F250-L254 HydrophobicContact CG-CD1 4.46Å; F250-L254 HydrophobicContact CG-CG 4.46Å; F250-L254 HydrophobicContact CZ-CD1 3.82Å; F250-L254 HydrophobicContact CZ-CD2 3.95Å; F250-L254 HydrophobicContact CZ-CG 4.01Å; F250-L254 WeakPolarHBondContact O-CB 3.25Å; F250-L254 VanDerWaalsContact O-CG 3.31Å; F250-L254 WeakPolarHBondContact O-CG 3.44Å; F250-L254 PolarHBondContact O-N 2.74Å
251N57.7Low60.9Low64 Ų6467.6 Ų67.634%0.34233%0.325SS..Hα-helixtrans-60.4-37.6177.5-72.9-37.1000112.6N247 E248 L254 V255N247-N251 WeakPolarHBondContact O-CB 3.2Å; N247-N251 VanDerWaalsContact O-CG 3.27Å; N247-N251 PolarHBondContact O-N 3.32Å; N247-N251 PolarHBondContact O-ND2 2.88Å; E248-N251 PolarHBondContact O-N 3.49Å; N251-L254 WeakPolarHBondContact O-CB 3.38Å; N251-L254 PolarHBondContact O-N 2.85Å; N251-V255 WeakPolarHBondContact O-CG2 3.14Å; N251-V255 PolarHBondContact O-N 2.91Å
252K63.1Low59.5Low117 Ų11767.6 Ų67.651%0.50932%0.323SS..Hα-helixtrans-65.3-46.3172.8-71.4174.5-174.3164.60112.3E248 N249 F250 L254 V255 E256E248-K252 WeakPolarHBondContact O-CG 3.11Å; E248-K252 PolarHBondContact O-N 3.11Å; E248-K252 VanDerWaalsContact OE1-CE 3.24Å; E248-K252 WeakPolarHBondContact OE1-CE 3.26Å; E248-K252 IonicContact OE1-NZ 3.62Å; E248-K252 PolarHBondContact OE1-NZ 3.18Å; N249-K252 PolarHBondContact O-N 2.84Å; F250-K252 VanDerWaalsContact C-N 3.3Å; F250-K252 PolarHBondContact O-N 3.26Å; K252-L254 PolarHBondContact O-N 3.35Å; K252-V255 PolarHBondContact O-N 3.4Å; K252-E256 PolarHBondContact O-N 3.07Å
253S54.4Low58.3Low27 Ų2766.5 Ų66.519%0.18932%0.321CS..Hα-helixtrans-58.1-38.2173.8-70.70000111.1D216 N249 F250 L257D216-S253 PolarHBondContact OD2-OG 2.89Å; N249-S253 PolarHBondContact O-N 3.3Å; N249-S253 PolarHBondContact O-OG 3.34Å; F250-S253 CarbonylContact O-C 3.59Å; F250-S253 WeakPolarHBondContact O-CB 3.1Å; F250-S253 PolarHBondContact O-N 2.78Å; F250-S253 VanDerWaalsContact O-N 3.15Å; S253-L257 VanDerWaalsContact O-CB 3.27Å; S253-L257 WeakPolarHBondContact O-CB 3.49Å; S253-L257 PolarHBondContact O-N 3.04Å
254L51.1Low57.3Low14 Ų1465.6 Ų65.67%0.07332%0.317CS..Hα-helixtrans-67.5-43.3176.5-73.5-176.9000112.9V12 L15 F250 N251 K252 L257 K258V12-L254 HydrophobicContact CG2-CD1 4.18Å; V12-L254 HydrophobicContact CG2-CD2 4.42Å; L15-L254 HydrophobicContact CD1-CB 3.79Å; L15-L254 HydrophobicContact CD1-CD1 4.3Å; L15-L254 HydrophobicContact CD1-CD2 3.8Å; L15-L254 HydrophobicContact CD1-CG 4.18Å; F250-L254 HydrophobicContact CD1-CD1 3.74Å; F250-L254 HydrophobicContact CD1-CG 4.21Å; F250-L254 HydrophobicContact CD2-CG 4.44Å; F250-L254 HydrophobicContact CE1-CD1 3.38Å; F250-L254 HydrophobicContact CE1-CD2 4.39Å; F250-L254 HydrophobicContact CE1-CG 3.99Å; F250-L254 HydrophobicContact CE2-CD1 4.47Å; F250-L254 HydrophobicContact CE2-CD2 4.13Å; F250-L254 HydrophobicContact CE2-CG 4.2Å; F250-L254 HydrophobicContact CG-CD1 4.46Å; F250-L254 HydrophobicContact CG-CG 4.46Å; F250-L254 HydrophobicContact CZ-CD1 3.82Å; F250-L254 HydrophobicContact CZ-CD2 3.95Å; F250-L254 HydrophobicContact CZ-CG 4.01Å; F250-L254 WeakPolarHBondContact O-CB 3.25Å; F250-L254 VanDerWaalsContact O-CG 3.31Å; F250-L254 WeakPolarHBondContact O-CG 3.44Å; F250-L254 PolarHBondContact O-N 2.74Å; N251-L254 WeakPolarHBondContact O-CB 3.38Å; N251-L254 PolarHBondContact O-N 2.85Å; K252-L254 PolarHBondContact O-N 3.35Å; L254-L257 PolarHBondContact O-N 3.41Å; L254-K258 WeakPolarHBondContact O-CB 3.31Å; L254-K258 PolarHBondContact O-N 2.64Å
255V57.1Low56.3Low104 Ų10461.9 Ų61.963%0.6330%0.297SS*.Hα-helixtrans-62.1-44.7176.6169.40000110.8N251 K252 K258 R259N251-V255 WeakPolarHBondContact O-CG2 3.14Å; N251-V255 PolarHBondContact O-N 2.91Å; K252-V255 PolarHBondContact O-N 3.4Å; V255-K258 WeakPolarHBondContact O-CB 3.42Å; V255-K258 PolarHBondContact O-N 3.37Å; V255-R259 PolarHBondContact O-N 2.83Å
256E55.1Low55.2Low57 Ų5759.9 Ų59.927%0.26629%0.292SS..Hα-helixtrans-66.5-39.2177176.658.7-170.600111.9K252 K258 R259 R260K252-E256 PolarHBondContact O-N 3.07Å; E256-K258 VanDerWaalsContact C-N 3.35Å; E256-R259 PolarHBondContact O-N 3.19Å; E256-R259 IonicContact OE1-CZ 2.61Å; E256-R259 IonicContact OE1-NE 3.96Å; E256-R259 IonicContact OE1-NH2 2.78Å; E256-R259 PolarHBondContact OE1-NH2 3.26Å; E256-R259 IonicContact OE2-CZ 3.56Å; E256-R259 IonicContact OE2-NE 3.05Å; E256-R259 PolarHBondContact OE2-NE 2.9Å; E256-R259 IonicContact OE2-NH2 3.59Å; E256-R259 PolarHBondContact OE2-NH2 3.27Å; E256-R260 WeakPolarHBondContact O-CG 3.08Å; E256-R260 PolarHBondContact O-N 2.94Å; E256-R260 IonicContact OE1-CZ 2.85Å; E256-R260 IonicContact OE1-NE 3.95Å; E256-R260 PolarHBondContact OE1-NE 3.36Å; E256-R260 IonicContact OE1-NH2 3.69Å; E256-R260 PolarHBondContact OE1-NH2 2.98Å
257L50.4Low54.7Low34 Ų3458.8 Ų58.818%0.17829%0.286CS..Hα-helixtrans-60.1-45.917317963000110.9S253 L254 R259 R260 V261S253-L257 VanDerWaalsContact O-CB 3.27Å; S253-L257 WeakPolarHBondContact O-CB 3.49Å; S253-L257 PolarHBondContact O-N 3.04Å; L254-L257 PolarHBondContact O-N 3.41Å; L257-R259 PolarHBondContact O-N 2.96Å; L257-R260 PolarHBondContact O-N 2.87Å; L257-V261 HydrophobicContact CD1-CG2 4.18Å; L257-V261 HydrophobicContact CG-CG2 4.33Å; L257-V261 WeakPolarHBondContact O-CB 3.38Å; L257-V261 VanDerWaalsContact O-CG2 3.29Å; L257-V261 WeakPolarHBondContact O-CG2 3.25Å; L257-V261 PolarHBondContact O-N 3.28Å
258K50.4Low54.5Low92 Ų9257.5 Ų57.540%0.428%0.278SS..Hα-helixtrans-56.6-50.7177.4-171.6179.5175.4-167.20111.6L15 L254 V255 E256 R260 V261 E262L15-K258 HydrophobicContact CD2-CB 3.45Å; L15-K258 VanDerWaalsContact CD2-CB 3.45Å; L15-K258 HydrophobicContact CD2-CD 4.07Å; L15-K258 HydrophobicContact CD2-CG 3.57Å; L254-K258 WeakPolarHBondContact O-CB 3.31Å; L254-K258 PolarHBondContact O-N 2.64Å; V255-K258 WeakPolarHBondContact O-CB 3.42Å; V255-K258 PolarHBondContact O-N 3.37Å; E256-K258 VanDerWaalsContact C-N 3.35Å; K258-R260 VanDerWaalsContact C-N 3.28Å; K258-R260 PolarHBondContact O-N 2.83Å; K258-V261 WeakPolarHBondContact O-CB 3.29Å; K258-V261 PolarHBondContact O-N 3.33Å; K258-E262 WeakPolarHBondContact CE-OE1 3.43Å; K258-E262 IonicContact NZ-OE1 3.42Å; K258-E262 WeakPolarHBondContact O-CG 3.27Å; K258-E262 PolarHBondContact O-N 2.81Å
259R53.3Low53.9Low113 Ų11353.6 Ų53.643%0.42626%0.261SS..Hα-helixtrans-58.5-41.6179-172.7-169.570.8810.2111.6V255 E256 L257 N263V255-R259 PolarHBondContact O-N 2.83Å; E256-R259 PolarHBondContact O-N 3.19Å; E256-R259 IonicContact OE1-CZ 2.61Å; E256-R259 IonicContact OE1-NE 3.96Å; E256-R259 IonicContact OE1-NH2 2.78Å; E256-R259 PolarHBondContact OE1-NH2 3.26Å; E256-R259 IonicContact OE2-CZ 3.56Å; E256-R259 IonicContact OE2-NE 3.05Å; E256-R259 PolarHBondContact OE2-NE 2.9Å; E256-R259 IonicContact OE2-NH2 3.59Å; E256-R259 PolarHBondContact OE2-NH2 3.27Å; L257-R259 PolarHBondContact O-N 2.96Å; R259-N263 PolarHBondContact O-N 3.3Å
260R49.8Very low53.6Low76 Ų7651.1 Ų51.129%0.28725%0.247SC..Hα-helixtrans-64.6-50.6176.1-72.5-179.6-177.6-134.54.1110.7H209 E256 L257 K258 E262 N263 L264H209-R260 PolarHBondContact CD2-NH1 3.45Å; H209-R260 VanDerWaalsContact CD2-NH1 3.3Å; H209-R260 VanDerWaalsContact NE2-CZ 3.26Å; H209-R260 PolarHBondContact NE2-NH1 2.98Å; H209-R260 PolarHBondContact NE2-NH2 3.06Å; E256-R260 WeakPolarHBondContact O-CG 3.08Å; E256-R260 PolarHBondContact O-N 2.94Å; E256-R260 IonicContact OE1-CZ 2.85Å; E256-R260 IonicContact OE1-NE 3.95Å; E256-R260 PolarHBondContact OE1-NE 3.36Å; E256-R260 IonicContact OE1-NH2 3.69Å; E256-R260 PolarHBondContact OE1-NH2 2.98Å; L257-R260 PolarHBondContact O-N 2.87Å; K258-R260 VanDerWaalsContact C-N 3.28Å; K258-R260 PolarHBondContact O-N 2.83Å; R260-E262 VanDerWaalsContact C-N 3.31Å; R260-E262 PolarHBondContact O-N 3.15Å; R260-N263 CarbonylContact O-C 3.06Å; R260-N263 WeakPolarHBondContact O-CA 3.46Å; R260-N263 WeakPolarHBondContact O-CB 3.25Å; R260-N263 PolarHBondContact O-N 3.23Å; R260-L264 VanDerWaalsContact O-CD2 3.25Å; R260-L264 WeakPolarHBondContact O-CD2 3.47Å; R260-L264 WeakPolarHBondContact O-CG 3.47Å; R260-L264 PolarHBondContact O-N 3.42Å
261V49.6Very low53.5Low5 Ų554.2 Ų54.23%0.0326%0.259CS..Hα-helixtrans-54-43.6176.4164.70000112.3L18 L21 L257 K258 N263 L264 E265L18-V261 HydrophobicContact CB-CG1 4.15Å; L18-V261 WeakPolarHBondContact O-CG1 3.5Å; L21-V261 HydrophobicContact CB-CG1 4.33Å; L21-V261 HydrophobicContact CD1-CG1 4.25Å; L257-V261 HydrophobicContact CD1-CG2 4.18Å; L257-V261 HydrophobicContact CG-CG2 4.33Å; L257-V261 WeakPolarHBondContact O-CB 3.38Å; L257-V261 VanDerWaalsContact O-CG2 3.29Å; L257-V261 WeakPolarHBondContact O-CG2 3.25Å; L257-V261 PolarHBondContact O-N 3.28Å; K258-V261 WeakPolarHBondContact O-CB 3.29Å; K258-V261 PolarHBondContact O-N 3.33Å; V261-N263 PolarHBondContact O-N 3.35Å; V261-L264 WeakPolarHBondContact O-CA 3.19Å; V261-L264 VanDerWaalsContact O-CB 3.32Å; V261-L264 WeakPolarHBondContact O-CB 3.26Å; V261-L264 PolarHBondContact O-N 2.71Å; V261-E265 PolarHBondContact O-N 3.37Å
262E49.8Very low53.8Low98 Ų9851.3 Ų51.346%0.45824%0.244SC..Hα-helixtrans-60.4-43.9175.3-74.7172.1170.500111.8K258 R260 L264 E265 I266K258-E262 WeakPolarHBondContact CE-OE1 3.43Å; K258-E262 IonicContact NZ-OE1 3.42Å; K258-E262 WeakPolarHBondContact O-CG 3.27Å; K258-E262 PolarHBondContact O-N 2.81Å; R260-E262 VanDerWaalsContact C-N 3.31Å; R260-E262 PolarHBondContact O-N 3.15Å; E262-L264 VanDerWaalsContact C-N 3.25Å; E262-L264 PolarHBondContact O-N 3.48Å; E262-E265 PolarHBondContact O-N 3.42Å; E262-I266 WeakPolarHBondContact O-CG1 3.19Å; E262-I266 PolarHBondContact O-N 3.46Å
263N49Very low53.8Low71 Ų7148.9 Ų48.938%0.3823%0.233SC..Hα-helixtrans-62.6-34.5172.7-71.1-15.8000112R259 R260 V261 N267R259-N263 PolarHBondContact O-N 3.3Å; R260-N263 CarbonylContact O-C 3.06Å; R260-N263 WeakPolarHBondContact O-CA 3.46Å; R260-N263 WeakPolarHBondContact O-CB 3.25Å; R260-N263 PolarHBondContact O-N 3.23Å; V261-N263 PolarHBondContact O-N 3.35Å; N263-N267 PolarHBondContact O-N 2.89Å; N263-N267 PolarHBondContact O-ND2 2.89Å
264L49.8Very low54.3Low13 Ų1354.9 Ų54.97%0.06826%0.256CS..Hα-helixtrans-66.4-47.5179.4-56.5-157.7000110L21 I22 C23 M206 R260 V261 E262 I266 N267 R268L21-L264 WeakPolarHBondContact O-CB 3.12Å; L21-L264 WeakPolarHBondContact O-CD1 3.08Å; I22-L264 CarbonylContact O-C 3.57Å; I22-L264 WeakPolarHBondContact O-CA 3.07Å; I22-L264 VanDerWaalsContact O-CB 3.31Å; I22-L264 WeakPolarHBondContact O-CB 3.11Å; C23-L264 HydrophobicContact CB-CD1 4.18Å; C23-L264 HydrophobicContact CB-CD2 3.99Å; C23-L264 HydrophobicContact CB-CG 4.46Å; C23-L264 WeakPolarHBondContact SG-CD1 3.27Å; C23-L264 WeakPolarHBondContact SG-CD2 3.47Å; M206-L264 HydrophobicContact CE-CD1 3.47Å; M206-L264 VanDerWaalsContact CE-CD1 3.47Å; M206-L264 HydrophobicContact CG-CD1 4.44Å; M206-L264 HydrophobicContact SD-CD1 3.45Å; M206-L264 WeakPolarHBondContact SD-CD1 3.4Å; R260-L264 VanDerWaalsContact O-CD2 3.25Å; R260-L264 WeakPolarHBondContact O-CD2 3.47Å; R260-L264 WeakPolarHBondContact O-CG 3.47Å; R260-L264 PolarHBondContact O-N 3.42Å; V261-L264 WeakPolarHBondContact O-CA 3.19Å; V261-L264 VanDerWaalsContact O-CB 3.32Å; V261-L264 WeakPolarHBondContact O-CB 3.26Å; V261-L264 PolarHBondContact O-N 2.71Å; E262-L264 VanDerWaalsContact C-N 3.25Å; E262-L264 PolarHBondContact O-N 3.48Å; L264-I266 VanDerWaalsContact C-N 3.29Å; L264-I266 PolarHBondContact O-N 2.92Å; L264-N267 CarbonylContact O-C 3.58Å; L264-N267 WeakPolarHBondContact O-CA 3.21Å; L264-N267 VanDerWaalsContact O-CB 3.28Å; L264-N267 WeakPolarHBondContact O-CB 3.49Å; L264-N267 PolarHBondContact O-N 3.49Å; L264-R268 PolarHBondContact O-N 2.94Å
265E50.9Low55.1Low16 Ų1655.7 Ų55.78%0.07526%0.26CS..Hα-helixtrans-54.9-45.5176.9-84.7-61.494.300113.5L21 V261 E262 N267 R268 I269L21-E265 WeakPolarHBondContact CA-OE1 3.38Å; L21-E265 VanDerWaalsContact CB-CD 3.46Å; L21-E265 HydrophobicContact CB-CG 3.61Å; L21-E265 WeakPolarHBondContact CB-OE1 3.49Å; L21-E265 HydrophobicContact CD1-CG 3.11Å; L21-E265 HydrophobicContact CD2-CG 4.2Å; L21-E265 WeakPolarHBondContact CD2-OE1 3.27Å; L21-E265 HydrophobicContact CG-CG 3.71Å; L21-E265 WeakPolarHBondContact CG-OE1 3.22Å; V261-E265 PolarHBondContact O-N 3.37Å; E262-E265 PolarHBondContact O-N 3.42Å; E265-N267 PolarHBondContact O-N 2.93Å; E265-N267 VanDerWaalsContact O-N 3.14Å; E265-R268 VanDerWaalsContact CD-NH1 3.31Å; E265-R268 PolarHBondContact O-N 2.87Å; E265-R268 WeakPolarHBondContact OE1-CD 3.38Å; E265-R268 IonicContact OE1-CZ 3.22Å; E265-R268 IonicContact OE1-NH1 3.51Å; E265-R268 PolarHBondContact OE1-NH1 3.06Å; E265-R268 IonicContact OE2-NH1 3.51Å; E265-R268 PolarHBondContact OE2-NH1 2.85Å; E265-I269 WeakPolarHBondContact O-CB 3.44Å; E265-I269 WeakPolarHBondContact O-CD1 3.46Å; E265-I269 WeakPolarHBondContact O-CG1 3.19Å; E265-I269 PolarHBondContact O-N 3.48Å
266I52.2Low56.1Low90 Ų9054.2 Ų54.246%0.46225%0.249SC..Hα-helixtrans-53.6-39.9176.6-68.7167.8000110.2E262 L264 N270E262-I266 WeakPolarHBondContact O-CG1 3.19Å; E262-I266 PolarHBondContact O-N 3.46Å; L264-I266 VanDerWaalsContact C-N 3.29Å; L264-I266 PolarHBondContact O-N 2.92Å; I266-N270 WeakPolarHBondContact O-CB 3.09Å; I266-N270 PolarHBondContact O-N 3.19Å; I266-N270 PolarHBondContact O-ND2 3.18Å; I266-N270 VanDerWaalsContact O-ND2 3.12Å
267N51.6Low57.5Low14 Ų1453.7 Ų53.78%0.07525%0.25CC..Hα-helixtrans-76.6-43-179.9-69.1-46.4000114.9E24 N263 L264 E265 I269 N270 Y271E24-N267 VanDerWaalsContact CA-CB 3.48Å; E24-N267 HydrophobicContact CB-CB 4.06Å; E24-N267 WeakPolarHBondContact CB-ND2 3.42Å; E24-N267 HydrophobicContact CG-CB 4.13Å; E24-N267 WeakPolarHBondContact CG-ND2 3.18Å; E24-N267 WeakPolarHBondContact CG-OD1 3.43Å; E24-N267 VanDerWaalsContact OE1-CG 3.29Å; E24-N267 PolarHBondContact OE1-ND2 3.31Å; E24-N267 PolarHBondContact OE1-OD1 3.49Å; N263-N267 PolarHBondContact O-N 2.89Å; N263-N267 PolarHBondContact O-ND2 2.89Å; L264-N267 CarbonylContact O-C 3.58Å; L264-N267 WeakPolarHBondContact O-CA 3.21Å; L264-N267 VanDerWaalsContact O-CB 3.28Å; L264-N267 WeakPolarHBondContact O-CB 3.49Å; L264-N267 PolarHBondContact O-N 3.49Å; E265-N267 PolarHBondContact O-N 2.93Å; E265-N267 VanDerWaalsContact O-N 3.14Å; N267-I269 PolarHBondContact O-N 3.41Å; N267-N270 CarbonylContact O-C 3.41Å; N267-N270 WeakPolarHBondContact O-CB 3.43Å; N267-N270 PolarHBondContact O-N 3.43Å; N267-N270 VanDerWaalsContact O-N 3.17Å; N267-Y271 PolarHBondContact O-N 3.01Å
268R58.4Low59.1Low8 Ų853 Ų533%0.0325%0.246CC..Hα-helixtrans-54.4-46.4170.7-179.8-177.5146.3-129.62.4110.3I22 D166 L264 E265 Y271 L272I22-R268 HydrophobicContact CB-CB 3.99Å; I22-R268 HydrophobicContact CB-CG 4.02Å; I22-R268 HydrophobicContact CD1-CG 4.34Å; I22-R268 HydrophobicContact CG2-CB 4.47Å; D166-R268 IonicContact OD1-CZ 2.73Å; D166-R268 IonicContact OD1-NH1 3.81Å; D166-R268 IonicContact OD1-NH2 3.88Å; D166-R268 PolarHBondContact OD1-NH2 3.17Å; L264-R268 PolarHBondContact O-N 2.94Å; E265-R268 VanDerWaalsContact CD-NH1 3.31Å; E265-R268 PolarHBondContact O-N 2.87Å; E265-R268 WeakPolarHBondContact OE1-CD 3.38Å; E265-R268 IonicContact OE1-CZ 3.22Å; E265-R268 IonicContact OE1-NH1 3.51Å; E265-R268 PolarHBondContact OE1-NH1 3.06Å; E265-R268 IonicContact OE2-NH1 3.51Å; E265-R268 PolarHBondContact OE2-NH1 2.85Å; R268-Y271 WeakPolarHBondContact O-CB 3.18Å; R268-Y271 PolarHBondContact O-N 2.85Å; R268-Y271 VanDerWaalsContact O-N 3.14Å; R268-L272 HydrophobicContact CG-CD1 4.27Å; R268-L272 WeakPolarHBondContact O-CG 3.43Å; R268-L272 PolarHBondContact O-N 3.25Å
269I58.4Low60.4Low20 Ų2053 Ų5310%0.10325%0.248CC..Hα-helixtrans-67.1-40.4179.9-53.4161000110.4T169 W172 L173 E265 N267 Y271 L272 K273T169-I269 HydrophobicContact CG2-CG1 3.86Å; T169-I269 HydrophobicContact CG2-CG2 4.12Å; W172-I269 HydrophobicContact CD2-CG2 4Å; W172-I269 HydrophobicContact CE3-CB 4.07Å; W172-I269 HydrophobicContact CE3-CG2 3.04Å; W172-I269 HydrophobicContact CH2-CG2 4.38Å; W172-I269 HydrophobicContact CZ3-CB 3.85Å; W172-I269 HydrophobicContact CZ3-CG2 3.23Å; L173-I269 HydrophobicContact CD2-CG2 3.76Å; L173-I269 HydrophobicContact CG-CG2 3.91Å; E265-I269 WeakPolarHBondContact O-CB 3.44Å; E265-I269 WeakPolarHBondContact O-CD1 3.46Å; E265-I269 WeakPolarHBondContact O-CG1 3.19Å; E265-I269 PolarHBondContact O-N 3.48Å; N267-I269 PolarHBondContact O-N 3.41Å; I269-Y271 PolarHBondContact O-N 3.46Å; I269-L272 PolarHBondContact O-N 2.96Å; I269-K273 WeakPolarHBondContact O-CG 3.37Å; I269-K273 PolarHBondContact O-N 3.37Å
270N56.1Low61.7Low37 Ų3749 Ų4920%0.19823%0.233CC..Hα-helixtrans-58.4-36.2171.8-73.7-28.7000112.4I266 N267 K273 F274I266-N270 WeakPolarHBondContact O-CB 3.09Å; I266-N270 PolarHBondContact O-N 3.19Å; I266-N270 PolarHBondContact O-ND2 3.18Å; I266-N270 VanDerWaalsContact O-ND2 3.12Å; N267-N270 CarbonylContact O-C 3.41Å; N267-N270 WeakPolarHBondContact O-CB 3.43Å; N267-N270 PolarHBondContact O-N 3.43Å; N267-N270 VanDerWaalsContact O-N 3.17Å; N270-K273 WeakPolarHBondContact O-CB 3.44Å; N270-F274 WeakPolarHBondContact O-CD2 3.29Å; N270-F274 WeakPolarHBondContact O-CE2 3.46Å
271Y56.4Low63.3Low69 Ų6945.5 Ų45.527%0.27122%0.219SC..Hα-helixtrans-68-48.1174.7178.9-112.9000112N267 R268 I269 K273 F274 M275N267-Y271 PolarHBondContact O-N 3.01Å; R268-Y271 WeakPolarHBondContact O-CB 3.18Å; R268-Y271 PolarHBondContact O-N 2.85Å; R268-Y271 VanDerWaalsContact O-N 3.14Å; I269-Y271 PolarHBondContact O-N 3.46Å; Y271-K273 PolarHBondContact O-N 2.8Å; Y271-K273 VanDerWaalsContact O-N 3.15Å; Y271-F274 PolarHBondContact O-N 2.81Å; Y271-M275 HydrophobicContact CD1-CE 3.99Å; Y271-M275 HydrophobicContact CD1-SD 4.39Å; Y271-M275 HydrophobicContact CE1-CE 3.12Å; Y271-M275 HydrophobicContact CE1-SD 4.06Å; Y271-M275 HydrophobicContact CE2-CE 4.48Å; Y271-M275 VanDerWaalsContact CZ-CE 3.41Å; Y271-M275 VanDerWaalsContact OH-CE 3.31Å; Y271-M275 WeakPolarHBondContact OH-CE 3.28Å
272L63.2Low64.8Low2 Ų248 Ų481%0.0123%0.232CC..Hα-helixtrans-58.9-28177.6-68.1173.1000112.5T169 L173 R268 I269 F274 M275 R280 V284T169-L272 HydrophobicContact CG2-CD1 3.6Å; L173-L272 HydrophobicContact CD1-CB 3.73Å; L173-L272 HydrophobicContact CD1-CD1 4.1Å; L173-L272 HydrophobicContact CD2-CB 3.99Å; L173-L272 HydrophobicContact CG-CB 4.5Å; R268-L272 HydrophobicContact CG-CD1 4.27Å; R268-L272 WeakPolarHBondContact O-CG 3.43Å; R268-L272 PolarHBondContact O-N 3.25Å; I269-L272 PolarHBondContact O-N 2.96Å; L272-F274 PolarHBondContact O-N 3.31Å; L272-M275 HydrophobicContact CD2-SD 3.76Å; L272-M275 PolarHBondContact O-N 3.22Å; L272-M275 VanDerWaalsContact O-N 3.15Å; L272-R280 HydrophobicContact CB-CG 4.31Å; L272-R280 HydrophobicContact CD2-CB 4.23Å; L272-R280 HydrophobicContact CD2-CG 4.15Å; L272-R280 PolarHBondContact O-NE 2.85Å; L272-R280 PolarHBondContact O-NH2 3.41Å; L272-V284 HydrophobicContact CD1-CG2 4.3Å; L272-V284 HydrophobicContact CD2-CG2 4.35Å
273K63.1Low65.9Low66 Ų6643.9 Ų43.929%0.28721%0.214SC..Hα-helixtrans-56.3-34.7174.6-77.6178.2165.1161.20113.2W172 L173 I269 N270 Y271 M275 R280W172-K273 HydrophobicContact CZ3-CD 3.93Å; W172-K273 HydrophobicContact CZ3-CG 4.36Å; L173-K273 HydrophobicContact CD2-CB 4.23Å; L173-K273 HydrophobicContact CD2-CG 3.5Å; L173-K273 VanDerWaalsContact CD2-CG 3.5Å; I269-K273 WeakPolarHBondContact O-CG 3.37Å; I269-K273 PolarHBondContact O-N 3.37Å; N270-K273 WeakPolarHBondContact O-CB 3.44Å; Y271-K273 PolarHBondContact O-N 2.8Å; Y271-K273 VanDerWaalsContact O-N 3.15Å; K273-M275 VanDerWaalsContact C-N 3.34Å; K273-R280 PolarHBondContact O-NH2 2.67Å; K273-R280 VanDerWaalsContact O-NH2 3.17Å
274F63.6Low67.2Low154 Ų15440.7 Ų40.768%0.67520%0.197SC*.THydrogen-bonded Turntrans-84.1-11-177.7-59.5-72.6000113.7N270 Y271 L272N270-F274 WeakPolarHBondContact O-CD2 3.29Å; N270-F274 WeakPolarHBondContact O-CE2 3.46Å; Y271-F274 PolarHBondContact O-N 2.81Å; L272-F274 PolarHBondContact O-N 3.31Å
275M68.8Low68.7Low30 Ų3040.3 Ų40.315%0.14820%0.195CC..SBendtrans-85.5149.5176.1-71.5176160.100111.4Y271 L272 K273 E279 R280Y271-M275 HydrophobicContact CD1-CE 3.99Å; Y271-M275 HydrophobicContact CD1-SD 4.39Å; Y271-M275 HydrophobicContact CE1-CE 3.12Å; Y271-M275 HydrophobicContact CE1-SD 4.06Å; Y271-M275 HydrophobicContact CE2-CE 4.48Å; Y271-M275 VanDerWaalsContact CZ-CE 3.41Å; Y271-M275 VanDerWaalsContact OH-CE 3.31Å; Y271-M275 WeakPolarHBondContact OH-CE 3.28Å; L272-M275 HydrophobicContact CD2-SD 3.76Å; L272-M275 PolarHBondContact O-N 3.22Å; L272-M275 VanDerWaalsContact O-N 3.15Å; K273-M275 VanDerWaalsContact C-N 3.34Å; M275-E279 WeakPolarHBondContact CA-OE2 3.38Å; M275-E279 HydrophobicContact CB-CB 3.86Å; M275-E279 HydrophobicContact CG-CB 4.14Å; M275-E279 HydrophobicContact SD-CB 4.38Å; M275-R280 HydrophobicContact CB-CG 3.67Å; M275-R280 VanDerWaalsContact O-CZ 3.25Å; M275-R280 PolarHBondContact O-NE 3.25Å; M275-R280 PolarHBondContact O-NH2 3.34Å
276N78.5Confident69.7Low74 Ų7441.4 Ų41.440%0.39620%0.202SC..  trans-69.8160.8165.777.852.9000110.7M278 E279 R280N276-M278 VanDerWaalsContact C-N 3.29Å; N276-M278 PolarHBondContact O-N 3.09Å; N276-M278 PolarHBondContact OD1-N 3.11Å; N276-E279 VanDerWaalsContact CG-OE2 3.3Å; N276-E279 PolarHBondContact N-OE2 3.25Å; N276-E279 WeakPolarHBondContact ND2-CG 3.35Å; N276-E279 PolarHBondContact ND2-OE1 3.04Å; N276-E279 PolarHBondContact ND2-OE2 3.39Å; N276-E279 VanDerWaalsContact ND2-OE2 3.07Å; N276-E279 PolarHBondContact O-N 3.5Å; N276-E279 PolarHBondContact OD1-N 2.93Å; N276-R280 WeakPolarHBondContact O-CG 3.31Å; N276-R280 PolarHBondContact O-N 3.31Å
277P83.5Confident70.5Confident45 Ų4537.4 Ų37.429%0.29218%0.182SC..Hα-helixtrans-51.8-39.4-177.2-34.540.5000116.3W97 L99 V281W97-P277 HydrophobicContact CB-CB 3.71Å; W97-P277 HydrophobicContact CB-CG 4.11Å; W97-P277 HydrophobicContact CD2-CB 4.04Å; W97-P277 HydrophobicContact CE3-CB 4.01Å; W97-P277 HydrophobicContact CG-CB 3.95Å; W97-P277 HydrophobicContact CG-CG 4.24Å; L99-P277 HydrophobicContact CD2-CB 3.84Å; P277-V281 WeakPolarHBondContact O-CG2 3.21Å; P277-V281 PolarHBondContact O-N 3.4Å
278M84.7Confident71.6Confident21 Ų2136.8 Ų36.810%0.10318%0.178CC..Hα-helixtrans-74.9-41-178.5-168.265.6-148.400111.2M104 F105 N276 R280 V281 I282M104-M278 HydrophobicContact CB-CE 4.04Å; M104-M278 HydrophobicContact CG-CE 3.8Å; M104-M278 HydrophobicContact SD-CE 4Å; M104-M278 HydrophobicContact SD-CG 4.42Å; F105-M278 HydrophobicContact CB-CE 4.29Å; F105-M278 HydrophobicContact CB-SD 3.84Å; F105-M278 HydrophobicContact CD2-SD 4.32Å; N276-M278 VanDerWaalsContact C-N 3.29Å; N276-M278 PolarHBondContact O-N 3.09Å; N276-M278 PolarHBondContact OD1-N 3.11Å; M278-R280 PolarHBondContact O-N 3.41Å; M278-V281 HydrophobicContact CE-CG1 4.28Å; M278-V281 PolarHBondContact O-N 2.95Å; M278-V281 VanDerWaalsContact O-N 3.09Å; M278-I282 HydrophobicContact CE-CD1 4.11Å; M278-I282 HydrophobicContact CE-CG1 3.76Å; M278-I282 HydrophobicContact CG-CD1 4.06Å; M278-I282 HydrophobicContact CG-CG1 4.48Å; M278-I282 WeakPolarHBondContact O-CG1 3.49Å; M278-I282 PolarHBondContact O-N 2.89Å
279E78.5Confident72.2Confident91 Ų9139.6 Ų39.643%0.42519%0.192SC..Hα-helixtrans-56.5-40172.7-74.2168.3163.900111.7M275 N276 I282 S283M275-E279 WeakPolarHBondContact CA-OE2 3.38Å; M275-E279 HydrophobicContact CB-CB 3.86Å; M275-E279 HydrophobicContact CG-CB 4.14Å; M275-E279 HydrophobicContact SD-CB 4.38Å; N276-E279 VanDerWaalsContact CG-OE2 3.3Å; N276-E279 PolarHBondContact N-OE2 3.25Å; N276-E279 WeakPolarHBondContact ND2-CG 3.35Å; N276-E279 PolarHBondContact ND2-OE1 3.04Å; N276-E279 PolarHBondContact ND2-OE2 3.39Å; N276-E279 VanDerWaalsContact ND2-OE2 3.07Å; N276-E279 PolarHBondContact O-N 3.5Å; N276-E279 PolarHBondContact OD1-N 2.93Å; E279-I282 PolarHBondContact O-N 3.35Å; E279-S283 VanDerWaalsContact O-CB 3.27Å; E279-S283 WeakPolarHBondContact O-CB 3.41Å; E279-S283 PolarHBondContact O-N 3.25Å
280R79.3Confident72.3Confident30 Ų3039 Ų3911%0.11319%0.189CC..Hα-helixtrans-61.1-46.3174.4-64.7168.3-174.4170.83.8111.6W97 L272 K273 M275 N276 M278 V284W97-R280 HydrophobicContact CH2-CB 3.8Å; W97-R280 HydrophobicContact CH2-CG 4.33Å; W97-R280 HydrophobicContact CZ3-CB 3.81Å; L272-R280 HydrophobicContact CB-CG 4.31Å; L272-R280 HydrophobicContact CD2-CB 4.23Å; L272-R280 HydrophobicContact CD2-CG 4.15Å; L272-R280 PolarHBondContact O-NE 2.85Å; L272-R280 PolarHBondContact O-NH2 3.41Å; K273-R280 PolarHBondContact O-NH2 2.67Å; K273-R280 VanDerWaalsContact O-NH2 3.17Å; M275-R280 HydrophobicContact CB-CG 3.67Å; M275-R280 VanDerWaalsContact O-CZ 3.25Å; M275-R280 PolarHBondContact O-NE 3.25Å; M275-R280 PolarHBondContact O-NH2 3.34Å; N276-R280 WeakPolarHBondContact O-CG 3.31Å; N276-R280 PolarHBondContact O-N 3.31Å; M278-R280 PolarHBondContact O-N 3.41Å; R280-V284 WeakPolarHBondContact O-CB 3.25Å; R280-V284 VanDerWaalsContact O-CG2 3.3Å; R280-V284 WeakPolarHBondContact O-CG2 3.34Å; R280-V284 PolarHBondContact O-N 2.8Å
281V84.2Confident72.5Confident1 Ų138.2 Ų38.21%0.00618%0.184CC..Hα-helixtrans-61.5-49.4179.4170.30000110.4Y89 L90 A93 W97 L99 F105 P277 M278 V284 I285Y89-V281 HydrophobicContact CE1-CG1 4.47Å; Y89-V281 HydrophobicContact CE1-CG2 4.4Å; L90-V281 HydrophobicContact CD2-CG1 3.62Å; A93-V281 HydrophobicContact CB-CG2 3.73Å; W97-V281 HydrophobicContact CE3-CG2 4.13Å; W97-V281 HydrophobicContact CZ3-CG2 3.86Å; L99-V281 HydrophobicContact CD1-CG2 3.75Å; F105-V281 HydrophobicContact CD2-CG1 4.3Å; F105-V281 HydrophobicContact CE2-CG1 4.36Å; F105-V281 HydrophobicContact CE2-CG2 4.44Å; P277-V281 WeakPolarHBondContact O-CG2 3.21Å; P277-V281 PolarHBondContact O-N 3.4Å; M278-V281 HydrophobicContact CE-CG1 4.28Å; M278-V281 PolarHBondContact O-N 2.95Å; M278-V281 VanDerWaalsContact O-N 3.09Å; V281-V284 PolarHBondContact O-N 3.28Å; V281-I285 HydrophobicContact CG1-CG1 4.16Å; V281-I285 WeakPolarHBondContact O-CB 3.48Å; V281-I285 VanDerWaalsContact O-CG1 3.23Å; V281-I285 WeakPolarHBondContact O-CG1 3.24Å; V281-I285 PolarHBondContact O-N 3.32Å
282I80.2Confident72.7Confident57 Ų5735.2 Ų35.229%0.29217%0.173SC..Hα-helixtrans-59.3-52.4179.9-64.9165.7000109.8M104 M278 E279 V284 I285 D286M104-I282 HydrophobicContact SD-CD1 3.5Å; M104-I282 VanDerWaalsContact SD-CD1 3.5Å; M104-I282 HydrophobicContact SD-CG1 4.31Å; M278-I282 HydrophobicContact CE-CD1 4.11Å; M278-I282 HydrophobicContact CE-CG1 3.76Å; M278-I282 HydrophobicContact CG-CD1 4.06Å; M278-I282 HydrophobicContact CG-CG1 4.48Å; M278-I282 WeakPolarHBondContact O-CG1 3.49Å; M278-I282 PolarHBondContact O-N 2.89Å; E279-I282 PolarHBondContact O-N 3.35Å; I282-V284 VanDerWaalsContact C-N 3.27Å; I282-V284 PolarHBondContact O-N 3.49Å; I282-I285 PolarHBondContact O-N 3.38Å; I282-I285 VanDerWaalsContact O-N 3.1Å; I282-D286 VanDerWaalsContact CG2-OD2 3.3Å; I282-D286 WeakPolarHBondContact CG2-OD2 3.4Å; I282-D286 WeakPolarHBondContact O-CB 3.49Å; I282-D286 PolarHBondContact O-N 3.19Å
283S72.5Confident72.1Confident13 Ų1340.2 Ų40.29%0.09120%0.199CC..Hα-helixtrans-57.7-39.2-179-179.90000112.9E279 A287E279-S283 VanDerWaalsContact O-CB 3.27Å; E279-S283 WeakPolarHBondContact O-CB 3.41Å; E279-S283 PolarHBondContact O-N 3.25Å; S283-A287 WeakPolarHBondContact O-CB 3.49Å; S283-A287 PolarHBondContact O-N 3.24Å; S283-A287 VanDerWaalsContact O-N 3.1Å
284V77.5Confident70.9Confident3 Ų340 Ų402%0.01820%0.199CC..Hα-helixtrans-75.8-34.8178.5173.80000112.4W85 Y89 L272 R280 V281 I282 M288W85-V284 HydrophobicContact CH2-CG1 3.83Å; W85-V284 HydrophobicContact CZ2-CG1 3.9Å; Y89-V284 HydrophobicContact CD1-CG1 4.26Å; Y89-V284 HydrophobicContact CD2-CG1 4.2Å; Y89-V284 HydrophobicContact CE1-CB 3.96Å; Y89-V284 HydrophobicContact CE1-CG1 3.77Å; Y89-V284 HydrophobicContact CE2-CB 4.32Å; Y89-V284 HydrophobicContact CE2-CG1 3.68Å; Y89-V284 HydrophobicContact CG-CG1 4.47Å; Y89-V284 VanDerWaalsContact CZ-CG1 3.46Å; Y89-V284 WeakPolarHBondContact OH-CB 3.5Å; Y89-V284 WeakPolarHBondContact OH-CG2 3.37Å; L272-V284 HydrophobicContact CD1-CG2 4.3Å; L272-V284 HydrophobicContact CD2-CG2 4.35Å; R280-V284 WeakPolarHBondContact O-CB 3.25Å; R280-V284 VanDerWaalsContact O-CG2 3.3Å; R280-V284 WeakPolarHBondContact O-CG2 3.34Å; R280-V284 PolarHBondContact O-N 2.8Å; V281-V284 PolarHBondContact O-N 3.28Å; I282-V284 VanDerWaalsContact C-N 3.27Å; I282-V284 PolarHBondContact O-N 3.49Å; V284-M288 WeakPolarHBondContact O-CB 3.49Å; V284-M288 PolarHBondContact O-N 3Å; V284-M288 VanDerWaalsContact O-N 3.14Å
285I81.7Confident69.7Low5 Ų535.2 Ų35.23%0.02618%0.178CC..Hα-helixtrans-69.7-47.9175.4-69.8-71.2000110.4W85 A86 Y89 L90 Y112 V281 I282 A287 M288 E289W85-I285 HydrophobicContact CH2-CD1 4.36Å; W85-I285 HydrophobicContact CZ3-CD1 4.03Å; A86-I285 HydrophobicContact CB-CD1 4.34Å; Y89-I285 HydrophobicContact CD1-CD1 4.28Å; L90-I285 HydrophobicContact CD1-CD1 4.38Å; L90-I285 HydrophobicContact CD2-CD1 4.09Å; L90-I285 HydrophobicContact CD2-CG1 4.24Å; L90-I285 HydrophobicContact CG-CD1 4.14Å; Y112-I285 HydrophobicContact CE2-CD1 4.29Å; Y112-I285 HydrophobicContact CE2-CG2 4.09Å; V281-I285 HydrophobicContact CG1-CG1 4.16Å; V281-I285 WeakPolarHBondContact O-CB 3.48Å; V281-I285 VanDerWaalsContact O-CG1 3.23Å; V281-I285 WeakPolarHBondContact O-CG1 3.24Å; V281-I285 PolarHBondContact O-N 3.32Å; I282-I285 PolarHBondContact O-N 3.38Å; I282-I285 VanDerWaalsContact O-N 3.1Å; I285-A287 VanDerWaalsContact C-N 3.32Å; I285-A287 PolarHBondContact O-N 3Å; I285-M288 HydrophobicContact CG2-CE 4.34Å; I285-M288 CarbonylContact O-C 3.54Å; I285-M288 WeakPolarHBondContact O-CA 3.38Å; I285-M288 WeakPolarHBondContact O-CB 3.1Å; I285-M288 WeakPolarHBondContact O-CE 3.39Å; I285-M288 PolarHBondContact O-N 3.15Å; I285-E289 HydrophobicContact CG2-CG 4.14Å; I285-E289 PolarHBondContact O-N 3.3Å
286D71.6Confident68.1Low40 Ų4036.9 Ų36.921%0.21418%0.184CC..Hα-helixtrans-58-46.4176.8-65.1-7.4000110.5M33 I282 M288 E289 E290M33-D286 HydrophobicContact CE-CB 3.39Å; I282-D286 VanDerWaalsContact CG2-OD2 3.3Å; I282-D286 WeakPolarHBondContact CG2-OD2 3.4Å; I282-D286 WeakPolarHBondContact O-CB 3.49Å; I282-D286 PolarHBondContact O-N 3.19Å; D286-M288 PolarHBondContact O-N 2.72Å; D286-M288 VanDerWaalsContact O-N 3.14Å; D286-E289 PolarHBondContact O-N 3.4Å; D286-E290 WeakPolarHBondContact O-CB 3.39Å; D286-E290 VanDerWaalsContact O-CG 3.28Å; D286-E290 WeakPolarHBondContact O-CG 3.41Å; D286-E290 PolarHBondContact O-N 2.8Å
287A68.6Low65.6Low6 Ų636.4 Ų36.45%0.0520%0.196CC..Hα-helixtrans-59-25.8173.300000114I37 S283 I285 E291I37-A287 HydrophobicContact CD1-CB 3.97Å; I37-A287 HydrophobicContact CG1-CB 4.24Å; I37-A287 VanDerWaalsContact CG2-O 3.27Å; I37-A287 WeakPolarHBondContact CG2-O 3.49Å; S283-A287 WeakPolarHBondContact O-CB 3.49Å; S283-A287 PolarHBondContact O-N 3.24Å; S283-A287 VanDerWaalsContact O-N 3.1Å; I285-A287 VanDerWaalsContact C-N 3.32Å; I285-A287 PolarHBondContact O-N 3Å; A287-E291 VanDerWaalsContact O-CG 3.31Å; A287-E291 WeakPolarHBondContact O-CG 3.36Å
288M75.1Confident62.8Low0 Ų038.9 Ų38.90%021%0.21CC..Hα-helixtrans-90.1-34.5176.8175.1-101.214.500112.8Q82 W85 A86 Y112 W159 V284 I285 D286 E290 E291Q82-M288 HydrophobicContact CG-CE 4.37Å; Q82-M288 HydrophobicContact CG-CG 4.21Å; Q82-M288 HydrophobicContact CG-SD 3.14Å; Q82-M288 WeakPolarHBondContact CG-SD 3.3Å; Q82-M288 PolarHBondContact NE2-O 2.66Å; Q82-M288 VanDerWaalsContact NE2-O 3.14Å; Q82-M288 PolarHBondContact NE2-SD 3.29Å; W85-M288 HydrophobicContact CD2-CG 4.16Å; W85-M288 HydrophobicContact CE3-CB 4.16Å; W85-M288 HydrophobicContact CE3-CG 3.35Å; W85-M288 HydrophobicContact CE3-SD 3.33Å; W85-M288 HydrophobicContact CH2-CB 3.45Å; W85-M288 VanDerWaalsContact CH2-CB 3.45Å; W85-M288 HydrophobicContact CH2-CG 3.62Å; W85-M288 HydrophobicContact CH2-SD 4.29Å; W85-M288 HydrophobicContact CZ2-CB 4.28Å; W85-M288 HydrophobicContact CZ2-CG 4.34Å; W85-M288 HydrophobicContact CZ3-CB 3.4Å; W85-M288 VanDerWaalsContact CZ3-CB 3.4Å; W85-M288 HydrophobicContact CZ3-CE 3.96Å; W85-M288 HydrophobicContact CZ3-CG 3.09Å; W85-M288 HydrophobicContact CZ3-SD 3.23Å; W85-M288 WeakPolarHBondContact CZ3-SD 3.31Å; A86-M288 HydrophobicContact CB-SD 4.32Å; Y112-M288 HydrophobicContact CE1-CE 4.25Å; Y112-M288 WeakPolarHBondContact OH-CE 3.31Å; W159-M288 HydrophobicContact CH2-CG 3.53Å; W159-M288 HydrophobicContact CH2-SD 4.17Å; W159-M288 HydrophobicContact CZ3-CG 3.41Å; W159-M288 VanDerWaalsContact CZ3-CG 3.41Å; W159-M288 HydrophobicContact CZ3-SD 4.2Å; V284-M288 WeakPolarHBondContact O-CB 3.49Å; V284-M288 PolarHBondContact O-N 3Å; V284-M288 VanDerWaalsContact O-N 3.14Å; I285-M288 HydrophobicContact CG2-CE 4.34Å; I285-M288 CarbonylContact O-C 3.54Å; I285-M288 WeakPolarHBondContact O-CA 3.38Å; I285-M288 WeakPolarHBondContact O-CB 3.1Å; I285-M288 WeakPolarHBondContact O-CE 3.39Å; I285-M288 PolarHBondContact O-N 3.15Å; D286-M288 PolarHBondContact O-N 2.72Å; D286-M288 VanDerWaalsContact O-N 3.14Å; M288-E290 VanDerWaalsContact C-N 3.32Å; M288-E291 WeakPolarHBondContact O-CB 3.34Å; M288-E291 PolarHBondContact O-N 3.36Å
289E71.4Confident60Low67 Ų6748.7 Ų48.731%0.31325%0.247SC..Hα-helixtrans-65.7-44.7178.7-75.7-176.4177.800108.5Y112 I285 D286 E291 V292 D293Y112-E289 VanDerWaalsContact OH-CD 3.25Å; Y112-E289 WeakPolarHBondContact OH-CG 3.27Å; Y112-E289 PolarHBondContact OH-OE1 3.36Å; I285-E289 HydrophobicContact CG2-CG 4.14Å; I285-E289 PolarHBondContact O-N 3.3Å; D286-E289 PolarHBondContact O-N 3.4Å; E289-E291 VanDerWaalsContact C-N 3.26Å; E289-E291 PolarHBondContact O-N 2.64Å; E289-V292 CarbonylContact O-C 3.56Å; E289-V292 PolarHBondContact O-N 3.45Å; E289-D293 WeakPolarHBondContact O-CB 3.44Å; E289-D293 PolarHBondContact O-N 3.35Å
290E60.2Low57.4Low9 Ų955.3 Ų55.34%0.04228%0.281CS..Hα-helixtrans-67-24.5177.3-67.8-173.7-13000113.8H34 I37 S38 D286 M288 V292 H294H34-E290 WeakPolarHBondContact CA-OE1 3.46Å; H34-E290 WeakPolarHBondContact CA-OE2 3.23Å; H34-E290 IonicContact CE1-OE1 3.55Å; H34-E290 IonicContact CG-OE1 3.7Å; H34-E290 IonicContact ND1-OE1 3.52Å; H34-E290 PolarHBondContact ND1-OE1 3.12Å; H34-E290 IonicContact ND1-OE2 3.66Å; I37-E290 HydrophobicContact CB-CB 3.5Å; I37-E290 VanDerWaalsContact CB-CB 3.5Å; I37-E290 HydrophobicContact CB-CG 4.24Å; I37-E290 WeakPolarHBondContact CB-OE2 3.26Å; I37-E290 HydrophobicContact CD1-CB 4.35Å; I37-E290 VanDerWaalsContact CD1-CD 3.41Å; I37-E290 HydrophobicContact CD1-CG 4.37Å; I37-E290 WeakPolarHBondContact CD1-OE1 3.39Å; I37-E290 HydrophobicContact CG1-CB 4.49Å; I37-E290 HydrophobicContact CG2-CB 3.26Å; I37-E290 HydrophobicContact CG2-CG 4.43Å; S38-E290 PolarHBondContact N-OE2 3.02Å; D286-E290 WeakPolarHBondContact O-CB 3.39Å; D286-E290 VanDerWaalsContact O-CG 3.28Å; D286-E290 WeakPolarHBondContact O-CG 3.41Å; D286-E290 PolarHBondContact O-N 2.8Å; M288-E290 VanDerWaalsContact C-N 3.32Å; E290-V292 PolarHBondContact O-N 3.49Å; E290-H294 WeakPolarHBondContact O-CB 3.34Å; E290-H294 PolarHBondContact O-N 2.82Å; E290-H294 IonicContact OE2-CE1 2.84Å; E290-H294 PolarHBondContact OE2-CE1 2.96Å; E290-H294 IonicContact OE2-ND1 2.66Å
291E60.9Low56.3Low19 Ų1956.6 Ų56.69%0.08929%0.289CS..Hα-helixtrans-64.9-16.5170.9-82.6175.7-152.900113.1I37 R162 A287 M288 E289I37-E291 HydrophobicContact CG2-CG 4.01Å; R162-E291 IonicContact CZ-OE1 3.79Å; R162-E291 IonicContact NH1-OE1 3.19Å; R162-E291 PolarHBondContact NH1-OE1 3.33Å; R162-E291 IonicContact NH1-OE2 2.86Å; R162-E291 PolarHBondContact NH1-OE2 3.19Å; R162-E291 IonicContact NH2-OE1 3.43Å; A287-E291 VanDerWaalsContact O-CG 3.31Å; A287-E291 WeakPolarHBondContact O-CG 3.36Å; M288-E291 WeakPolarHBondContact O-CB 3.34Å; M288-E291 PolarHBondContact O-N 3.36Å; E289-E291 VanDerWaalsContact C-N 3.26Å; E289-E291 PolarHBondContact O-N 2.64Å
292V59.3Low54.9Low6 Ų659.5 Ų59.54%0.03630%0.304CS..Hα-helixtrans-115.2-42.7179.8178.90000113.2Q82 W159 E289 E290Q82-V292 HydrophobicContact CB-CG2 4.36Å; Q82-V292 HydrophobicContact CG-CG2 4.01Å; Q82-V292 VanDerWaalsContact OE1-CG2 3.3Å; W159-V292 HydrophobicContact CH2-CG2 4.13Å; W159-V292 HydrophobicContact CZ2-CG2 3.66Å; E289-V292 CarbonylContact O-C 3.56Å; E289-V292 PolarHBondContact O-N 3.45Å; E290-V292 PolarHBondContact O-N 3.49Å
293D50.6Low53.5Low107 Ų10759.6 Ų59.657%0.57231%0.305SS*.Hα-helixtrans-76.7-25.4-173.3-81.5-8.4000113.5E289 K295E289-D293 WeakPolarHBondContact O-CB 3.44Å; E289-D293 PolarHBondContact O-N 3.35Å; D293-K295 VanDerWaalsContact C-N 3.32Å; D293-K295 PolarHBondContact O-N 3.42Å; D293-K295 VanDerWaalsContact O-N 3.09Å
294H37.6Very low52.3Low61 Ų6162.4 Ų62.428%0.28232%0.318SS..THydrogen-bonded Turntrans-79.312.4-168.7-98.3107.5000118.3S38 E290S38-H294 VanDerWaalsContact CA-CB 3.48Å; S38-H294 WeakPolarHBondContact CB-CD2 3.37Å; S38-H294 VanDerWaalsContact CB-CG 3.43Å; S38-H294 VanDerWaalsContact CB-NE2 3.3Å; S38-H294 WeakPolarHBondContact CB-NE2 3.42Å; S38-H294 PolarHBondContact OG-CD2 3.43Å; S38-H294 PolarHBondContact OG-NE2 3.14Å; E290-H294 WeakPolarHBondContact O-CB 3.34Å; E290-H294 PolarHBondContact O-N 2.82Å; E290-H294 IonicContact OE2-CE1 2.84Å; E290-H294 PolarHBondContact OE2-CE1 2.96Å; E290-H294 IonicContact OE2-ND1 2.66Å
295K38.8Very low50.8Low55 Ų5566.1 Ų66.124%0.23934%0.336CS..THydrogen-bonded Turntrans-153.572.5157.9-61.6-172.4156155.70117.6R42 I45 T46 D293R42-K295 VanDerWaalsContact CA-NZ 3.3Å; R42-K295 HydrophobicContact CB-CD 3.86Å; R42-K295 HydrophobicContact CB-CG 3.99Å; R42-K295 VanDerWaalsContact CB-NZ 3.32Å; R42-K295 VanDerWaalsContact CD-CE 3.43Å; R42-K295 HydrophobicContact CG-CD 3.98Å; R42-K295 HydrophobicContact CG-CG 3.61Å; R42-K295 VanDerWaalsContact O-CD 3.31Å; R42-K295 WeakPolarHBondContact O-CD 3.3Å; R42-K295 WeakPolarHBondContact O-CE 3.42Å; R42-K295 PolarHBondContact O-NZ 2.92Å; I45-K295 HydrophobicContact CB-CB 4.38Å; I45-K295 HydrophobicContact CB-CD 4.11Å; I45-K295 HydrophobicContact CD1-CB 3.5Å; I45-K295 VanDerWaalsContact CD1-CB 3.5Å; I45-K295 HydrophobicContact CD1-CG 4.22Å; I45-K295 HydrophobicContact CG2-CB 4.19Å; I45-K295 HydrophobicContact CG2-CD 4.12Å; T46-K295 PolarHBondContact OG1-NZ 3.49Å; T46-K295 VanDerWaalsContact OG1-NZ 3.08Å; D293-K295 VanDerWaalsContact C-N 3.32Å; D293-K295 PolarHBondContact O-N 3.42Å; D293-K295 VanDerWaalsContact O-N 3.09Å
296Y35.3Very low48.7Very low65 Ų6570.1 Ų70.126%0.25536%0.357SS..  trans-128.723.7140.3-56.3-72.1000112.7I45 H49 D71 L74 H75 V298I45-Y296 HydrophobicContact CD1-CE2 4.33Å; I45-Y296 HydrophobicContact CG2-CE1 4.31Å; H49-Y296 AromaticContact CE1-CE1 3.74Å; H49-Y296 AromaticContact NE2-CE1 3.56Å; D71-Y296 VanDerWaalsContact CA-CE1 3.43Å; D71-Y296 HydrophobicContact CB-CD1 3.34Å; D71-Y296 HydrophobicContact CB-CE1 3.27Å; D71-Y296 HydrophobicContact CB-CG 4.43Å; D71-Y296 PolarHBondContact O-OH 3.22Å; D71-Y296 WeakPolarHBondContact OD2-CD1 3.48Å; L74-Y296 WeakPolarHBondContact CB-OH 3.42Å; L74-Y296 VanDerWaalsContact CD2-OH 3.29Å; L74-Y296 WeakPolarHBondContact CD2-OH 3.27Å; L74-Y296 VanDerWaalsContact CG-OH 3.25Å; L74-Y296 WeakPolarHBondContact CG-OH 3.48Å; H75-Y296 HydrophobicContact CB-CD2 4.11Å; H75-Y296 HydrophobicContact CB-CE2 3.51Å; H75-Y296 AromaticContact CG-CE2 3.98Å; H75-Y296 AromaticContact ND1-CE2 3.84Å; Y296-V298 VanDerWaalsContact C-N 3.33Å; Y296-V298 PolarHBondContact O-N 3.37Å
297G26.7Very low47.1Very low63 Ų6372.3 Ų72.365%0.64937%0.367SS*.SBendtrans-60.798.516000000109.4
298V25Very low45.4Very low98 Ų9877.4 Ų77.459%0.59439%0.392SS*.  trans55.775.5134.5-169.30000113.4Y296 M300Y296-V298 VanDerWaalsContact C-N 3.33Å; Y296-V298 PolarHBondContact O-N 3.37Å; V298-M300 HydrophobicContact CB-CE 4.47Å; V298-M300 HydrophobicContact CG1-CB 3.57Å; V298-M300 HydrophobicContact CG1-CE 3.56Å; V298-M300 HydrophobicContact CG1-CG 3.78Å; V298-M300 HydrophobicContact CG1-SD 4.4Å; V298-M300 HydrophobicContact CG2-CE 4.02Å; V298-M300 PolarHBondContact O-N 3.24Å
299Y25.1Very low43Very low226 Ų22683.8 Ų83.889%0.88642%0.424SS*.  trans-81.875.2130.9-73.1-77.1000106.4
300M24.7Very low40.4Very low230 Ų23085.4 Ų85.4100%1.13343%0.434SS*.  trans-80.10148.7-82-173.3-99.600107.2V298V298-M300 HydrophobicContact CB-CE 4.47Å; V298-M300 HydrophobicContact CG1-CB 3.57Å; V298-M300 HydrophobicContact CG1-CE 3.56Å; V298-M300 HydrophobicContact CG1-CG 3.78Å; V298-M300 HydrophobicContact CG1-SD 4.4Å; V298-M300 HydrophobicContact CG2-CE 4.02Å; V298-M300 PolarHBondContact O-N 3.24Å

Retrieved 300 of 300 residues in 342.9 ms (Link to these results)

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