A0A077ZC02_TRITR Loading...

CPG4 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZC02, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 238 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
1M25.7Very low43.8Very low195 Ų19532.7 Ų32.796%0.96117%0.165SC*.  085.50-67.5169.296.800108.2F3M1-F3 HydrophobicContact CB-CD2 4.45Å; M1-F3 HydrophobicContact CB-CE2 3.8Å; M1-F3 HydrophobicContact CB-CZ 4.13Å; M1-F3 HydrophobicContact CE-CE2 4.04Å; M1-F3 HydrophobicContact CE-CZ 3.82Å; M1-F3 HydrophobicContact CG-CE2 4.43Å; M1-F3 HydrophobicContact CG-CZ 4.37Å
2S31.4Very low44Very low39 Ų3931.4 Ų31.427%0.27316%0.16SC..  trans-115.592.3178.2-152.40000106.1F49 N125S2-F49 CarbonylContact O-C 3.42Å; S2-F49 WeakPolarHBondContact O-CB 3.34Å; S2-N125 WeakPolarHBondContact CB-OD1 3.37Å; S2-N125 PolarHBondContact OG-OD1 2.95Å
3F38.5Very low44.5Very low47 Ų4729.2 Ų29.221%0.20615%0.148CC..  trans-86147.5180-61.1-63.5000108.5M1 K5 F8 I44 S45M1-F3 HydrophobicContact CB-CD2 4.45Å; M1-F3 HydrophobicContact CB-CE2 3.8Å; M1-F3 HydrophobicContact CB-CZ 4.13Å; M1-F3 HydrophobicContact CE-CE2 4.04Å; M1-F3 HydrophobicContact CE-CZ 3.82Å; M1-F3 HydrophobicContact CG-CE2 4.43Å; M1-F3 HydrophobicContact CG-CZ 4.37Å; F3-K5 WeakPolarHBondContact O-CG 3.36Å; F3-K5 PolarHBondContact O-N 3.21Å; F3-F8 HydrophobicContact CB-CE2 3.43Å; F3-F8 VanDerWaalsContact CB-CE2 3.43Å; F3-F8 HydrophobicContact CB-CZ 3.49Å; F3-F8 VanDerWaalsContact CB-CZ 3.49Å; F3-F8 AromaticContact CD2-CZ 4Å; F3-F8 HydrophobicContact CD2-CZ 4Å; F3-F8 HydrophobicContact CG-CE2 4.43Å; F3-F8 HydrophobicContact CG-CZ 4.02Å; F3-I44 WeakPolarHBondContact CB-O 3.5Å; F3-I44 WeakPolarHBondContact CD1-O 3.15Å; F3-I44 WeakPolarHBondContact CG-O 3.37Å; F3-S45 WeakPolarHBondContact CE1-O 3.48Å
4S46.8Very low44.8Very low1 Ų128.4 Ų28.41%0.00715%0.146CC..  trans-66.5129.2175.2174.40000110.1F8 F49 E124S4-F8 WeakPolarHBondContact O-CD2 3.04Å; S4-F8 VanDerWaalsContact O-CE2 3.23Å; S4-F8 WeakPolarHBondContact O-CE2 3.37Å; S4-F49 VanDerWaalsContact CB-CE1 3.43Å; S4-E124 WeakPolarHBondContact CA-OE2 3.36Å; S4-E124 WeakPolarHBondContact CB-OE2 3.27Å; S4-E124 PolarHBondContact OG-OE2 3.1Å
5K50.6Low45Very low24 Ų2436.3 Ų36.310%0.10418%0.179CC..SBendtrans-100.2-26-150.2-53.7172.2135-161.10110.5F3 F7 F8 E124 T135 F177F3-K5 WeakPolarHBondContact O-CG 3.36Å; F3-K5 PolarHBondContact O-N 3.21Å; K5-F7 VanDerWaalsContact C-N 3.28Å; K5-F7 PolarHBondContact O-N 3.41Å; K5-F8 WeakPolarHBondContact O-CB 3.17Å; K5-F8 PolarHBondContact O-N 3.21Å; K5-F8 VanDerWaalsContact O-N 3.11Å; K5-E124 VanDerWaalsContact C-OE1 3.3Å; K5-E124 VanDerWaalsContact CA-OE1 3.31Å; K5-E124 WeakPolarHBondContact CA-OE1 2.99Å; K5-E124 VanDerWaalsContact CB-OE1 3.27Å; K5-E124 WeakPolarHBondContact CB-OE1 3.47Å; K5-E124 HydrophobicContact CD-CB 4.47Å; K5-E124 VanDerWaalsContact N-CD 3.34Å; K5-E124 PolarHBondContact N-OE1 2.83Å; K5-E124 PolarHBondContact N-OE2 3Å; K5-T135 HydrophobicContact CB-CG2 3.62Å; K5-T135 HydrophobicContact CD-CG2 3.33Å; K5-T135 WeakPolarHBondContact CD-OG1 3.07Å; K5-T135 HydrophobicContact CG-CG2 3.52Å; K5-F177 HydrophobicContact CB-CE2 4.3Å; K5-F177 HydrophobicContact CB-CZ 4.24Å
6L49.4Very low45.2Very low11 Ų1134.9 Ų34.96%0.05817%0.173CC..Hα-helixtrans-55.6-41.3172.1-79.3149.6000111.9F8 I120 E124 F177 L181 V197 F201L6-F8 VanDerWaalsContact C-N 3.27Å; L6-F8 PolarHBondContact O-N 3.01Å; L6-I120 HydrophobicContact CD1-CB 4.47Å; L6-I120 HydrophobicContact CD1-CG2 2.97Å; L6-I120 HydrophobicContact CG-CG2 4.42Å; L6-E124 WeakPolarHBondContact CB-OE1 3.09Å; L6-E124 HydrophobicContact CD1-CG 3.94Å; L6-E124 VanDerWaalsContact CD1-OE1 3.28Å; L6-E124 WeakPolarHBondContact CD1-OE1 3.38Å; L6-E124 HydrophobicContact CG-CG 4.44Å; L6-E124 WeakPolarHBondContact CG-OE1 3.4Å; L6-E124 PolarHBondContact N-OE1 2.79Å; L6-F177 HydrophobicContact CD2-CE1 4.14Å; L6-F177 HydrophobicContact CG-CE1 4.35Å; L6-F177 HydrophobicContact CG-CZ 4.37Å; L6-L181 HydrophobicContact CD2-CD1 3.71Å; L6-L181 HydrophobicContact CG-CD1 4.22Å; L6-V197 HydrophobicContact CD2-CG1 3.6Å; L6-V197 HydrophobicContact CD2-CG2 4.33Å; L6-F201 HydrophobicContact CB-CZ 4.42Å; L6-F201 HydrophobicContact CD2-CE2 3.45Å; L6-F201 VanDerWaalsContact CD2-CE2 3.45Å; L6-F201 HydrophobicContact CD2-CZ 3.83Å; L6-F201 VanDerWaalsContact O-CZ 3.3Å; L6-F201 WeakPolarHBondContact O-CZ 3.5Å
7F50.2Low45.6Very low11 Ų1139.8 Ų39.85%0.04820%0.196CC..Hα-helixtrans-72.5-19.9-179.2-64.6-69.7000113.2K5 I9 M43 I44 Y102 F113K5-F7 VanDerWaalsContact C-N 3.28Å; K5-F7 PolarHBondContact O-N 3.41Å; F7-I9 PolarHBondContact O-N 2.66Å; F7-M43 HydrophobicContact CD1-CE 4.44Å; F7-M43 HydrophobicContact CE1-CE 4.46Å; F7-M43 HydrophobicContact CE1-SD 4.32Å; F7-M43 HydrophobicContact CZ-SD 4.25Å; F7-I44 HydrophobicContact CB-CD1 4.37Å; F7-I44 HydrophobicContact CB-CG1 3.89Å; F7-Y102 AromaticContact CD1-CE1 3.79Å; F7-Y102 HydrophobicContact CD1-CE1 3.79Å; F7-Y102 HydrophobicContact CE1-CE1 4.07Å; F7-Y102 PolarHBondContact O-OH 3.22Å; F7-F113 HydrophobicContact CE1-CZ 4.32Å; F7-F113 HydrophobicContact CE2-CZ 4.42Å; F7-F113 HydrophobicContact CZ-CE1 4.2Å; F7-F113 AromaticContact CZ-CZ 3.59Å; F7-F113 HydrophobicContact CZ-CZ 3.59Å
8F49Very low46Very low11 Ų1139.8 Ų39.85%0.04820%0.203CC..Hα-helixtrans-67-38.5-178.3-79.2-100.8000113F3 S4 K5 L6 G10 I44 T138 I139F3-F8 HydrophobicContact CB-CE2 3.43Å; F3-F8 VanDerWaalsContact CB-CE2 3.43Å; F3-F8 HydrophobicContact CB-CZ 3.49Å; F3-F8 VanDerWaalsContact CB-CZ 3.49Å; F3-F8 AromaticContact CD2-CZ 4Å; F3-F8 HydrophobicContact CD2-CZ 4Å; F3-F8 HydrophobicContact CG-CE2 4.43Å; F3-F8 HydrophobicContact CG-CZ 4.02Å; S4-F8 WeakPolarHBondContact O-CD2 3.04Å; S4-F8 VanDerWaalsContact O-CE2 3.23Å; S4-F8 WeakPolarHBondContact O-CE2 3.37Å; K5-F8 WeakPolarHBondContact O-CB 3.17Å; K5-F8 PolarHBondContact O-N 3.21Å; K5-F8 VanDerWaalsContact O-N 3.11Å; L6-F8 VanDerWaalsContact C-N 3.27Å; L6-F8 PolarHBondContact O-N 3.01Å; F8-G10 VanDerWaalsContact C-N 3.31Å; F8-G10 PolarHBondContact O-N 2.84Å; F8-I44 HydrophobicContact CD1-CG2 4.04Å; F8-I44 HydrophobicContact CD2-CG1 4.39Å; F8-I44 HydrophobicContact CD2-CG2 4.14Å; F8-I44 HydrophobicContact CE1-CG2 3.45Å; F8-I44 VanDerWaalsContact CE1-CG2 3.45Å; F8-I44 HydrophobicContact CE2-CG2 3.63Å; F8-I44 HydrophobicContact CG-CG2 4.38Å; F8-I44 HydrophobicContact CZ-CG2 3.26Å; F8-T138 HydrophobicContact CB-CG2 4.35Å; F8-I139 HydrophobicContact CD1-CG1 4.01Å; F8-I139 HydrophobicContact CE1-CD1 4.29Å; F8-I139 HydrophobicContact CE1-CG1 3.91Å; F8-I139 HydrophobicContact CE2-CD1 4.49Å; F8-I139 HydrophobicContact CG-CG1 4.43Å; F8-I139 HydrophobicContact CZ-CD1 4.11Å; F8-I139 HydrophobicContact CZ-CG1 4.22Å
9I46.6Very low46.5Very low8 Ų841.8 Ų41.84%0.04121%0.208CC..Hα-helixtrans-74.2-29.1-172.4-57.3168.2000111.1F7 L11 V12 T138 L174 F177 F201F7-I9 PolarHBondContact O-N 2.66Å; I9-L11 VanDerWaalsContact C-N 3.26Å; I9-L11 PolarHBondContact O-N 3.29Å; I9-V12 PolarHBondContact O-N 3.2Å; I9-T138 HydrophobicContact CD1-CG2 4.3Å; I9-T138 HydrophobicContact CG1-CG2 3.48Å; I9-T138 VanDerWaalsContact CG1-CG2 3.48Å; I9-L174 HydrophobicContact CB-CD1 4.37Å; I9-L174 HydrophobicContact CD1-CD1 3.89Å; I9-L174 HydrophobicContact CG2-CB 4.17Å; I9-L174 HydrophobicContact CG2-CD1 3.68Å; I9-L174 HydrophobicContact CG2-CD2 4.45Å; I9-L174 HydrophobicContact CG2-CG 4.3Å; I9-F177 HydrophobicContact CD1-CB 3.84Å; I9-F177 HydrophobicContact CD1-CD1 3.22Å; I9-F177 HydrophobicContact CD1-CD2 4.34Å; I9-F177 HydrophobicContact CD1-CE1 3.72Å; I9-F177 HydrophobicContact CD1-CG 3.55Å; I9-F177 HydrophobicContact CD1-CZ 4.48Å; I9-F201 HydrophobicContact CB-CE1 3.87Å; I9-F201 HydrophobicContact CD1-CE1 4.43Å; I9-F201 HydrophobicContact CG2-CE1 4.35Å
10G47Very low47.6Very low0 Ų051.7 Ų51.70%024%0.243CC..Hα-helixtrans-56.1-42.3178.300000112.8F8 V12 F97F8-G10 VanDerWaalsContact C-N 3.31Å; F8-G10 PolarHBondContact O-N 2.84Å; G10-V12 PolarHBondContact O-N 3.1Å; G10-F97 WeakPolarHBondContact O-CE1 2.92Å; G10-F97 WeakPolarHBondContact O-CE2 3.39Å; G10-F97 WeakPolarHBondContact O-CZ 3.41Å
11L46.4Very low49.1Very low13 Ų1350.1 Ų50.17%0.06824%0.237CC..Hα-helixtrans-76.3-26.8-172.4-149.4134.1000113.4I9 I13 V14 I40I9-L11 VanDerWaalsContact C-N 3.26Å; I9-L11 PolarHBondContact O-N 3.29Å; L11-I13 PolarHBondContact O-N 3.11Å; L11-I13 VanDerWaalsContact O-N 3.13Å; L11-V14 WeakPolarHBondContact O-CB 3.33Å; L11-V14 WeakPolarHBondContact O-CG2 3.41Å; L11-V14 PolarHBondContact O-N 3.43Å; L11-I40 HydrophobicContact CD1-CB 3.88Å; L11-I40 HydrophobicContact CD1-CD1 4.35Å; L11-I40 HydrophobicContact CD1-CG2 3.47Å; L11-I40 VanDerWaalsContact CD1-CG2 3.47Å
12V46.7Very low51.9Low17 Ų1743.9 Ų43.910%0.10321%0.211CC..Hα-helixtrans-67.8-18.2-177.1-165.70000112.2I9 G10 V14 Y141 R142 L170I9-V12 PolarHBondContact O-N 3.2Å; G10-V12 PolarHBondContact O-N 3.1Å; V12-V14 VanDerWaalsContact C-N 3.33Å; V12-Y141 HydrophobicContact CG1-CD1 3.93Å; V12-Y141 HydrophobicContact CG1-CE1 3.63Å; V12-R142 HydrophobicContact CG2-CB 4.43Å; V12-L170 HydrophobicContact CB-CD2 4.07Å; V12-L170 HydrophobicContact CG1-CD1 4.07Å; V12-L170 HydrophobicContact CG1-CD2 3.42Å; V12-L170 VanDerWaalsContact CG1-CD2 3.42Å; V12-L170 HydrophobicContact CG1-CG 4.38Å
13I50Low54.5Low2 Ų249.5 Ų49.51%0.0123%0.233CC..G310 helixtrans-80.9-15.8-178.9-57.2176.6000112.1L11 F15 F97 A204 I207 L208L11-I13 PolarHBondContact O-N 3.11Å; L11-I13 VanDerWaalsContact O-N 3.13Å; I13-F15 PolarHBondContact O-N 2.77Å; I13-F97 HydrophobicContact CB-CD2 4.27Å; I13-F97 HydrophobicContact CD1-CD2 4.26Å; I13-F97 HydrophobicContact CD1-CE2 4.22Å; I13-F97 HydrophobicContact CG2-CD2 4.28Å; I13-A204 HydrophobicContact CD1-CB 3.14Å; I13-I207 HydrophobicContact CG2-CB 4.41Å; I13-I207 HydrophobicContact CG2-CG2 3.85Å; I13-L208 HydrophobicContact CD1-CD1 3.83Å; I13-L208 HydrophobicContact CD1-CG 4.14Å; I13-L208 HydrophobicContact CG1-CD1 4.14Å; I13-L208 HydrophobicContact CG1-CD2 4.29Å; I13-L208 HydrophobicContact CG1-CG 4.28Å; I13-L208 HydrophobicContact CG2-CD2 4.41Å
14V48.2Very low56.7Low19 Ų1955.3 Ų55.312%0.11526%0.261CS..G310 helixtrans-67.7-20.6-171.8176.30000113.3L11 V12 V16 I33 T94 F97L11-V14 WeakPolarHBondContact O-CB 3.33Å; L11-V14 WeakPolarHBondContact O-CG2 3.41Å; L11-V14 PolarHBondContact O-N 3.43Å; V12-V14 VanDerWaalsContact C-N 3.33Å; V14-V16 VanDerWaalsContact C-N 3.28Å; V14-V16 PolarHBondContact O-N 3.38Å; V14-V16 VanDerWaalsContact O-N 3.13Å; V14-I33 HydrophobicContact CG1-CD1 4.15Å; V14-T94 HydrophobicContact CB-CG2 4.33Å; V14-T94 HydrophobicContact CG1-CG2 3.52Å; V14-T94 HydrophobicContact CG2-CG2 4.23Å; V14-T94 PolarHBondContact O-OG1 2.87Å; V14-F97 HydrophobicContact CG2-CD1 4.16Å
15F47.9Very low58.7Low146 Ų14655.3 Ų55.364%0.6426%0.261SS*.G310 helixtrans-82.316.7-172.6-70.6-73.8000116.4I13I13-F15 PolarHBondContact O-N 2.77Å
16V49.3Very low60.3Low14 Ų1455.2 Ų55.29%0.08526%0.262CS..SBendtrans-99.6125.8-175.1-168.80000111.4V14 K93V14-V16 VanDerWaalsContact C-N 3.28Å; V14-V16 PolarHBondContact O-N 3.38Å; V14-V16 VanDerWaalsContact O-N 3.13Å; V16-K93 HydrophobicContact CB-CD 3.6Å; V16-K93 HydrophobicContact CG1-CD 3.45Å; V16-K93 VanDerWaalsContact CG1-CD 3.45Å
17E51Low62.1Low119 Ų11957.5 Ų57.556%0.55628%0.283SS*.  trans-37.5132.1-178.4-71.5175.6148.800114.4Y19 Q163E17-Y19 WeakPolarHBondContact O-CD2 3.31Å; E17-Y19 PolarHBondContact O-N 2.81Å; E17-Q163 PolarHBondContact OE2-NE2 3.09Å
18A52.5Low64Low39 Ų3961.8 Ų61.832%0.32230%0.299SS..  trans-68.7110173.900000110.5V26 H92A18-V26 HydrophobicContact CB-CG2 4.13Å; A18-H92 VanDerWaalsContact CB-CD2 3.5Å; A18-H92 WeakPolarHBondContact CB-CD2 3.44Å; A18-H92 WeakPolarHBondContact CB-NE2 3.2Å
19Y56.8Low65.8Low79 Ų7961.2 Ų61.231%0.3130%0.297SS..  trans-77.6129.3172-73.4-92.3000109.8E17 C21E17-Y19 WeakPolarHBondContact O-CD2 3.31Å; E17-Y19 PolarHBondContact O-N 2.81Å; Y19-C21 VanDerWaalsContact C-N 3.35Å; Y19-C21 PolarHBondContact O-N 2.04Å
20R68.8Low67.6Low239 Ų23965.3 Ų65.390%0.90232%0.318SS*.SBendtrans57.535.1164.1-58.8-176.1178.4178.7-0.2116.3
21C77.4Confident69.6Low19 Ų1972.2 Ų72.213%0.12835%0.349CS..  trans-100.9136.6171.2-81.20000111.5Y19 V26 C89Y19-C21 VanDerWaalsContact C-N 3.35Å; Y19-C21 PolarHBondContact O-N 2.04Å; C21-V26 HydrophobicContact CB-CG2 3.31Å; C21-C89 HydrophobicContact CB-CB 4.41Å; C21-C89 WeakPolarHBondContact CB-SG 3.43Å; C21-C89 WeakPolarHBondContact SG-CA 3.25Å; C21-C89 WeakPolarHBondContact SG-CB 3.35Å; C21-C89 CovalentContact SG-SG 2.04Å; C21-C89 PolarHBondContact SG-SG 3.35Å
22P86Confident71.7Confident64 Ų6471.9 Ų71.942%0.41635%0.348SS..  trans-56.2141.4163.6-22.534000110.4E24 A25 V26 L88P22-E24 PolarHBondContact O-N 2.69Å; P22-A25 HydrophobicContact CB-CB 4.4Å; P22-A25 WeakPolarHBondContact O-CA 3.39Å; P22-A25 WeakPolarHBondContact O-CB 3.06Å; P22-A25 PolarHBondContact O-N 2.89Å; P22-V26 PolarHBondContact O-N 2.94Å; P22-L88 HydrophobicContact CG-CB 4.21Å; P22-L88 HydrophobicContact CG-CD1 4.36Å
23Q84.6Confident73.6Confident156 Ų15671.4 Ų71.473%0.72934%0.344SS*.Hα-helixtrans-57.3-35.6-177-72-66.3-34.800112.8A25 V26 A27Q23-A25 VanDerWaalsContact C-N 3.33Å; Q23-A25 PolarHBondContact O-N 2.95Å; Q23-V26 PolarHBondContact O-N 3.27Å; Q23-A27 WeakPolarHBondContact O-CB 3.3Å; Q23-A27 PolarHBondContact O-N 3.39Å
24E86.1Confident75.3Confident170 Ų17072 Ų7279%0.79435%0.351SS*.Hα-helixtrans-62.8-39.1175-173.8178.5-178.700112.4P22 R28P22-E24 PolarHBondContact O-N 2.69Å; E24-R28 WeakPolarHBondContact O-CB 3.4Å; E24-R28 PolarHBondContact O-N 3.02Å
25A87.8Confident77.2Confident1 Ų172.8 Ų72.81%0.00836%0.356CS..Hα-helixtrans-69.7-41.6176.800000111.5P22 Q23 R28 I29 V85 L88 C89P22-A25 HydrophobicContact CB-CB 4.4Å; P22-A25 WeakPolarHBondContact O-CA 3.39Å; P22-A25 WeakPolarHBondContact O-CB 3.06Å; P22-A25 PolarHBondContact O-N 2.89Å; Q23-A25 VanDerWaalsContact C-N 3.33Å; Q23-A25 PolarHBondContact O-N 2.95Å; A25-R28 PolarHBondContact O-N 3.07Å; A25-I29 WeakPolarHBondContact O-CG1 3.36Å; A25-I29 PolarHBondContact O-N 2.85Å; A25-V85 HydrophobicContact CB-CB 3.86Å; A25-V85 HydrophobicContact CB-CG1 4.34Å; A25-V85 HydrophobicContact CB-CG2 4.42Å; A25-L88 HydrophobicContact CB-CB 4.28Å; A25-L88 HydrophobicContact CB-CD1 4.34Å; A25-C89 VanDerWaalsContact CB-SG 3.54Å
26V84.5Confident79Confident21 Ų2165.9 Ų65.913%0.12733%0.326CS..Hα-helixtrans-59.6-51.6174179.90000110.4A18 C21 P22 Q23 R28 I29 D30A18-V26 HydrophobicContact CB-CG2 4.13Å; C21-V26 HydrophobicContact CB-CG2 3.31Å; P22-V26 PolarHBondContact O-N 2.94Å; Q23-V26 PolarHBondContact O-N 3.27Å; V26-R28 PolarHBondContact O-N 3.07Å; V26-I29 PolarHBondContact O-N 3.42Å; V26-D30 PolarHBondContact O-N 3.29Å
27A87.6Confident80.4Confident60 Ų6068.1 Ų68.150%0.49634%0.335SS..Hα-helixtrans-58.1-35.8179.200000112.3Q23 F31Q23-A27 WeakPolarHBondContact O-CB 3.3Å; Q23-A27 PolarHBondContact O-N 3.39Å; A27-F31 VanDerWaalsContact O-CB 3.29Å; A27-F31 WeakPolarHBondContact O-CB 3.36Å; A27-F31 PolarHBondContact O-N 2.9Å
28R89.7Confident81.8Confident100 Ų10070.1 Ų70.138%0.37734%0.338SS..Hα-helixtrans-68-45.5174.2-177.561.8174.5-168.51111.8E24 A25 V26 F31 C32 C81 V85E24-R28 WeakPolarHBondContact O-CB 3.4Å; E24-R28 PolarHBondContact O-N 3.02Å; A25-R28 PolarHBondContact O-N 3.07Å; V26-R28 PolarHBondContact O-N 3.07Å; R28-F31 PolarHBondContact O-N 3.08Å; R28-C32 WeakPolarHBondContact O-CB 3.3Å; R28-C32 PolarHBondContact O-N 3.09Å; R28-C32 PolarHBondContact O-SG 2.84Å; R28-C81 PolarHBondContact NE-O 2.95Å; R28-C81 PolarHBondContact NH2-O 2.89Å; R28-C81 VanDerWaalsContact NH2-O 3.08Å; R28-V85 HydrophobicContact CB-CG1 4.37Å; R28-V85 HydrophobicContact CB-CG2 4.01Å; R28-V85 HydrophobicContact CG-CG1 4.29Å; R28-V85 HydrophobicContact CG-CG2 3.75Å
29I86.3Confident83.2Confident0 Ų068.9 Ų68.90%033%0.327CS..Hα-helixtrans-59.7-48.2176.7-69.2165.9000110.3A25 V26 F31 C32 I33 I82 V85 C89 H92A25-I29 WeakPolarHBondContact O-CG1 3.36Å; A25-I29 PolarHBondContact O-N 2.85Å; V26-I29 PolarHBondContact O-N 3.42Å; I29-F31 VanDerWaalsContact C-N 3.29Å; I29-F31 PolarHBondContact O-N 2.92Å; I29-C32 PolarHBondContact O-N 3.47Å; I29-C32 VanDerWaalsContact O-N 3.13Å; I29-I33 WeakPolarHBondContact O-CB 3.33Å; I29-I33 WeakPolarHBondContact O-CG2 3.43Å; I29-I33 PolarHBondContact O-N 3.5Å; I29-I82 HydrophobicContact CG1-CG2 4.2Å; I29-V85 HydrophobicContact CG1-CG2 4.49Å; I29-C89 HydrophobicContact CD1-CB 3.64Å; I29-H92 HydrophobicContact CD1-CB 4.3Å
30D84.1Confident84.1Confident93 Ų9365.4 Ų65.450%0.49731%0.313SS..Hα-helixtrans-62.9-34178.5-67.5-15.1000112.4V26 I33V26-D30 PolarHBondContact O-N 3.29Å; D30-I33 WeakPolarHBondContact O-CG2 3.48Å
31F89.5Confident84.1Confident146 Ų14656.6 Ų56.664%0.6428%0.284SS*.Hα-helixtrans-68.6-46.3172.1174.2-96000111.8A27 R28 I29 I33A27-F31 VanDerWaalsContact O-CB 3.29Å; A27-F31 WeakPolarHBondContact O-CB 3.36Å; A27-F31 PolarHBondContact O-N 2.9Å; R28-F31 PolarHBondContact O-N 3.08Å; I29-F31 VanDerWaalsContact C-N 3.29Å; I29-F31 PolarHBondContact O-N 2.92Å; F31-I33 VanDerWaalsContact C-N 3.33Å; F31-I33 PolarHBondContact O-N 3.26Å
32C90.6Very high83.8Confident6 Ų658 Ų584%0.04130%0.297CS..Hα-helixtrans-70.9-27-175.9-62.20000112.9R28 I29 P35 F78 C81 I82R28-C32 WeakPolarHBondContact O-CB 3.3Å; R28-C32 PolarHBondContact O-N 3.09Å; R28-C32 PolarHBondContact O-SG 2.84Å; I29-C32 PolarHBondContact O-N 3.47Å; I29-C32 VanDerWaalsContact O-N 3.13Å; C32-P35 WeakPolarHBondContact O-CD 3.43Å; C32-F78 HydrophobicContact CB-CD2 3.8Å; C32-F78 HydrophobicContact CB-CE2 4.25Å; C32-C81 HydrophobicContact CB-CB 3.67Å; C32-C81 WeakPolarHBondContact CB-SG 3.47Å; C32-C81 WeakPolarHBondContact SG-CB 3.31Å; C32-C81 CovalentContact SG-SG 2.02Å; C32-C81 PolarHBondContact SG-SG 2.8Å; C32-I82 HydrophobicContact CB-CG2 3.73Å
33I86.9Confident82.9Confident7 Ų755.1 Ų55.14%0.03628%0.278CS..Hα-helixtrans-78.8-27.5-177.3-164.6178000113.4V14 I29 D30 F31 P35 V36 E37 F78 T94 I98V14-I33 HydrophobicContact CG1-CD1 4.15Å; I29-I33 WeakPolarHBondContact O-CB 3.33Å; I29-I33 WeakPolarHBondContact O-CG2 3.43Å; I29-I33 PolarHBondContact O-N 3.5Å; D30-I33 WeakPolarHBondContact O-CG2 3.48Å; F31-I33 VanDerWaalsContact C-N 3.33Å; F31-I33 PolarHBondContact O-N 3.26Å; I33-P35 VanDerWaalsContact C-N 3.34Å; I33-P35 VanDerWaalsContact O-N 3.17Å; I33-V36 HydrophobicContact CG1-CB 4.47Å; I33-V36 WeakPolarHBondContact O-CA 3.4Å; I33-V36 WeakPolarHBondContact O-CB 3.06Å; I33-V36 PolarHBondContact O-N 2.86Å; I33-E37 HydrophobicContact CD1-CG 4.32Å; I33-E37 HydrophobicContact CG1-CG 4.07Å; I33-E37 PolarHBondContact O-N 3.16Å; I33-F78 HydrophobicContact CB-CD2 4.44Å; I33-F78 HydrophobicContact CB-CE2 4.21Å; I33-T94 HydrophobicContact CD1-CG2 3.09Å; I33-T94 HydrophobicContact CG1-CG2 4.49Å; I33-I98 HydrophobicContact CD1-CD1 3.55Å; I33-I98 HydrophobicContact CG1-CD1 3.61Å
34G86.1Confident81.9Confident14 Ų1447.9 Ų47.914%0.14424%0.244CC..Hα-helixtrans-51.1-43-174.700000115R38G34-R38 WeakPolarHBondContact O-CG 3.46Å; G34-R38 PolarHBondContact O-N 3.3Å; G34-R38 VanDerWaalsContact O-N 3.15Å; G34-R38 PolarHBondContact O-NH1 3.15Å
35P87.5Confident80.5Confident35 Ų3543.4 Ų43.423%0.22723%0.232CC..Hα-helixtrans-61.4-41.6172-22.433000114.2C32 I33 R38 S39 E74C32-P35 WeakPolarHBondContact O-CD 3.43Å; I33-P35 VanDerWaalsContact C-N 3.34Å; I33-P35 VanDerWaalsContact O-N 3.17Å; P35-R38 PolarHBondContact O-N 3.43Å; P35-S39 PolarHBondContact O-N 3.12Å; P35-S39 PolarHBondContact O-OG 3.47Å; P35-E74 HydrophobicContact CB-CG 4.49Å; P35-E74 WeakPolarHBondContact CB-OE2 3.31Å
36V85.3Confident78.7Confident1 Ų144.5 Ų44.51%0.00624%0.24CC..Hα-helixtrans-62.1-46.6177.4178.30000110.6I33 R38 S39 I40 L71 E74 I75 F78 I98I33-V36 HydrophobicContact CG1-CB 4.47Å; I33-V36 WeakPolarHBondContact O-CA 3.4Å; I33-V36 WeakPolarHBondContact O-CB 3.06Å; I33-V36 PolarHBondContact O-N 2.86Å; V36-R38 VanDerWaalsContact C-N 3.32Å; V36-R38 PolarHBondContact O-N 2.81Å; V36-S39 PolarHBondContact O-N 3.27Å; V36-I40 HydrophobicContact CG1-CD1 3.77Å; V36-I40 HydrophobicContact CG1-CG1 4.36Å; V36-I40 VanDerWaalsContact O-CG1 3.32Å; V36-I40 WeakPolarHBondContact O-CG1 3.3Å; V36-I40 PolarHBondContact O-N 3.03Å; V36-L71 HydrophobicContact CG1-CD1 4.34Å; V36-E74 HydrophobicContact CG2-CB 4.12Å; V36-I75 HydrophobicContact CG1-CD1 3.61Å; V36-I75 HydrophobicContact CG2-CD1 4.21Å; V36-F78 HydrophobicContact CG2-CB 3.68Å; V36-F78 HydrophobicContact CG2-CG 4.22Å; V36-I98 HydrophobicContact CG1-CD1 4.49Å
37E79.4Confident76.8Confident61 Ų6150 Ų5029%0.28526%0.264SS..Hα-helixtrans-58.1-43.8176.4-77.7175.216000111.9I33 S39 I40 D41I33-E37 HydrophobicContact CD1-CG 4.32Å; I33-E37 HydrophobicContact CG1-CG 4.07Å; I33-E37 PolarHBondContact O-N 3.16Å; E37-S39 PolarHBondContact O-N 2.79Å; E37-I40 PolarHBondContact O-N 3.19Å; E37-D41 WeakPolarHBondContact O-CB 3.35Å; E37-D41 PolarHBondContact O-N 3.11Å
38R81.1Confident74.7Confident162 Ų16248 Ų4861%0.61125%0.245SC*.Hα-helixtrans-63.2-40.3176.6-73.5-171.4-61.5-87.14.3112.5G34 P35 V36 D41 A42G34-R38 WeakPolarHBondContact O-CG 3.46Å; G34-R38 PolarHBondContact O-N 3.3Å; G34-R38 VanDerWaalsContact O-N 3.15Å; G34-R38 PolarHBondContact O-NH1 3.15Å; P35-R38 PolarHBondContact O-N 3.43Å; V36-R38 VanDerWaalsContact C-N 3.32Å; V36-R38 PolarHBondContact O-N 2.81Å; R38-D41 PolarHBondContact O-N 2.8Å; R38-A42 VanDerWaalsContact O-CB 3.29Å; R38-A42 WeakPolarHBondContact O-CB 3.42Å; R38-A42 PolarHBondContact O-N 3.21Å
39S81.1Confident72.6Confident12 Ų1243.6 Ų43.68%0.08423%0.228CC..Hα-helixtrans-69.8-36.8177.3-67.70000112.4P35 V36 E37 A42 M43 E74P35-S39 PolarHBondContact O-N 3.12Å; P35-S39 PolarHBondContact O-OG 3.47Å; V36-S39 PolarHBondContact O-N 3.27Å; E37-S39 PolarHBondContact O-N 2.79Å; S39-A42 PolarHBondContact O-N 3.07Å; S39-M43 PolarHBondContact O-N 3.14Å; S39-E74 WeakPolarHBondContact OG-CG 3.27Å
40I75Confident70.5Confident6 Ų647.9 Ų47.93%0.03125%0.248CC..Hα-helixtrans-63.1-48.4170.9-64.6166.4000110.3L11 V36 E37 A42 M43 I44 L71 Y102L11-I40 HydrophobicContact CD1-CB 3.88Å; L11-I40 HydrophobicContact CD1-CD1 4.35Å; L11-I40 HydrophobicContact CD1-CG2 3.47Å; L11-I40 VanDerWaalsContact CD1-CG2 3.47Å; V36-I40 HydrophobicContact CG1-CD1 3.77Å; V36-I40 HydrophobicContact CG1-CG1 4.36Å; V36-I40 VanDerWaalsContact O-CG1 3.32Å; V36-I40 WeakPolarHBondContact O-CG1 3.3Å; V36-I40 PolarHBondContact O-N 3.03Å; E37-I40 PolarHBondContact O-N 3.19Å; I40-A42 VanDerWaalsContact C-N 3.26Å; I40-A42 PolarHBondContact O-N 2.9Å; I40-M43 HydrophobicContact CB-CE 4.49Å; I40-M43 HydrophobicContact CG1-CE 4.22Å; I40-M43 PolarHBondContact O-N 3Å; I40-I44 HydrophobicContact CG2-CD1 3.58Å; I40-I44 HydrophobicContact CG2-CG1 4.26Å; I40-I44 WeakPolarHBondContact O-CB 3.43Å; I40-I44 WeakPolarHBondContact O-CG1 3.49Å; I40-I44 PolarHBondContact O-N 3.4Å; I40-L71 HydrophobicContact CD1-CD1 4.5Å; I40-L71 HydrophobicContact CG1-CD1 3.71Å; I40-Y102 HydrophobicContact CD1-CD2 3.98Å; I40-Y102 HydrophobicContact CD1-CE1 4.48Å; I40-Y102 HydrophobicContact CD1-CE2 3.44Å; I40-Y102 VanDerWaalsContact CD1-CE2 3.44Å; I40-Y102 HydrophobicContact CG1-CE1 4.41Å; I40-Y102 HydrophobicContact CG1-CE2 4.2Å
41D70.6Confident68.5Low55 Ų5549 Ų4929%0.29425%0.25SS..Hα-helixtrans-63.3-32.9177.1-79.8-16.3000112.3E37 R38 S45 R142E37-D41 WeakPolarHBondContact O-CB 3.35Å; E37-D41 PolarHBondContact O-N 3.11Å; R38-D41 PolarHBondContact O-N 2.8Å; D41-S45 WeakPolarHBondContact O-CA 3.5Å; D41-S45 WeakPolarHBondContact O-CB 3.35Å; D41-S45 PolarHBondContact O-N 3.04Å; D41-S45 PolarHBondContact O-OG 3.12Å; D41-R142 IonicContact OD1-CZ 3.46Å; D41-R142 IonicContact OD1-NH1 3.92Å; D41-R142 IonicContact OD1-NH2 3.51Å; D41-R142 PolarHBondContact OD1-NH2 3.49Å; D41-R142 IonicContact OD2-NH2 2.73Å
42A70.5Confident66.3Low47 Ų4749.5 Ų49.539%0.38826%0.26SS..Hα-helixtrans-68.4-46173.200000111.6R38 S39 I40 I44 S45 S46R38-A42 VanDerWaalsContact O-CB 3.29Å; R38-A42 WeakPolarHBondContact O-CB 3.42Å; R38-A42 PolarHBondContact O-N 3.21Å; S39-A42 PolarHBondContact O-N 3.07Å; I40-A42 VanDerWaalsContact C-N 3.26Å; I40-A42 PolarHBondContact O-N 2.9Å; A42-I44 VanDerWaalsContact C-N 3.28Å; A42-I44 PolarHBondContact O-N 3.1Å; A42-S45 PolarHBondContact O-N 2.93Å; A42-S46 WeakPolarHBondContact O-CA 3.39Å; A42-S46 WeakPolarHBondContact O-CB 3.06Å; A42-S46 PolarHBondContact O-N 3.36Å; A42-S46 PolarHBondContact O-OG 3.01Å
43M67.4Low64Low4 Ų459.8 Ų59.82%0.0230%0.298CS..Hα-helixtrans-58.9-44.6172.9-76.3-177.8-65.600111F7 S39 I40 S46 F49 T67 L71F7-M43 HydrophobicContact CD1-CE 4.44Å; F7-M43 HydrophobicContact CE1-CE 4.46Å; F7-M43 HydrophobicContact CE1-SD 4.32Å; F7-M43 HydrophobicContact CZ-SD 4.25Å; S39-M43 PolarHBondContact O-N 3.14Å; I40-M43 HydrophobicContact CB-CE 4.49Å; I40-M43 HydrophobicContact CG1-CE 4.22Å; I40-M43 PolarHBondContact O-N 3Å; M43-S46 PolarHBondContact O-OG 3.08Å; M43-F49 WeakPolarHBondContact O-CE2 3.46Å; M43-T67 HydrophobicContact CB-CG2 4.29Å; M43-T67 HydrophobicContact CG-CG2 3.25Å; M43-T67 HydrophobicContact SD-CG2 4.46Å; M43-L71 HydrophobicContact CE-CB 3.71Å; M43-L71 HydrophobicContact CE-CD1 3.78Å; M43-L71 HydrophobicContact CE-CD2 3.18Å; M43-L71 HydrophobicContact CE-CG 3.68Å; M43-L71 HydrophobicContact SD-CB 4.04Å; M43-L71 HydrophobicContact SD-CD2 3.9Å; M43-L71 HydrophobicContact SD-CG 4.49Å
44I63.2Low62Low5 Ų567.7 Ų67.73%0.02633%0.334CS..Hα-helixtrans-63.4-47.2179-71.9171.7000110.6F3 F7 F8 I40 A42 R142F3-I44 WeakPolarHBondContact CB-O 3.5Å; F3-I44 WeakPolarHBondContact CD1-O 3.15Å; F3-I44 WeakPolarHBondContact CG-O 3.37Å; F7-I44 HydrophobicContact CB-CD1 4.37Å; F7-I44 HydrophobicContact CB-CG1 3.89Å; F8-I44 HydrophobicContact CD1-CG2 4.04Å; F8-I44 HydrophobicContact CD2-CG1 4.39Å; F8-I44 HydrophobicContact CD2-CG2 4.14Å; F8-I44 HydrophobicContact CE1-CG2 3.45Å; F8-I44 VanDerWaalsContact CE1-CG2 3.45Å; F8-I44 HydrophobicContact CE2-CG2 3.63Å; F8-I44 HydrophobicContact CG-CG2 4.38Å; F8-I44 HydrophobicContact CZ-CG2 3.26Å; I40-I44 HydrophobicContact CG2-CD1 3.58Å; I40-I44 HydrophobicContact CG2-CG1 4.26Å; I40-I44 WeakPolarHBondContact O-CB 3.43Å; I40-I44 WeakPolarHBondContact O-CG1 3.49Å; I40-I44 PolarHBondContact O-N 3.4Å; A42-I44 VanDerWaalsContact C-N 3.28Å; A42-I44 PolarHBondContact O-N 3.1Å; I44-R142 VanDerWaalsContact CD1-NH1 3.34Å
45S57.5Low60Low75 Ų7572.5 Ų72.552%0.52436%0.363SS..Hα-helixtrans-83.3-18.4-173.4-54.60000113.2F3 D41 A42F3-S45 WeakPolarHBondContact CE1-O 3.48Å; D41-S45 WeakPolarHBondContact O-CA 3.5Å; D41-S45 WeakPolarHBondContact O-CB 3.35Å; D41-S45 PolarHBondContact O-N 3.04Å; D41-S45 PolarHBondContact O-OG 3.12Å; A42-S45 PolarHBondContact O-N 2.93Å
46S48.6Very low58.3Low25 Ų2576.9 Ų76.918%0.17538%0.38CS..SBendtrans-64.2140.4-179.664.40000110.7A42 M43 L48A42-S46 WeakPolarHBondContact O-CA 3.39Å; A42-S46 WeakPolarHBondContact O-CB 3.06Å; A42-S46 PolarHBondContact O-N 3.36Å; A42-S46 PolarHBondContact O-OG 3.01Å; M43-S46 PolarHBondContact O-OG 3.08Å; S46-L48 PolarHBondContact O-N 3.33Å; S46-L48 WeakPolarHBondContact OG-CB 3.28Å; S46-L48 WeakPolarHBondContact OG-CD1 3.45Å
47E44.9Very low56.7Low135 Ų13582.6 Ų82.663%0.63141%0.407SS*.SBendtrans-66.911170.5-58.4-172.8138.600113F49 Q50E47-F49 PolarHBondContact O-N 3.42Å; E47-Q50 HydrophobicContact CB-CG 4.15Å; E47-Q50 PolarHBondContact O-N 3.01Å; E47-Q50 PolarHBondContact OE1-NE2 3.38Å
48L43.4Very low55.4Low20 Ų2089.1 Ų89.111%0.10543%0.43CS..THydrogen-bonded Turntrans-49.9-10.1176.2-10271.2000114S46 L60 N63 K64S46-L48 PolarHBondContact O-N 3.33Å; S46-L48 WeakPolarHBondContact OG-CB 3.28Å; S46-L48 WeakPolarHBondContact OG-CD1 3.45Å; L48-L60 WeakPolarHBondContact O-CD1 3.45Å; L48-N63 HydrophobicContact CD1-CB 4.08Å; L48-N63 HydrophobicContact CG-CB 4.31Å; L48-K64 HydrophobicContact CB-CG 4.28Å; L48-K64 VanDerWaalsContact CD2-CA 3.44Å; L48-K64 HydrophobicContact CD2-CB 4.11Å; L48-K64 HydrophobicContact CD2-CG 3.73Å; L48-K64 HydrophobicContact CG-CG 3.97Å; L48-K64 WeakPolarHBondContact O-CE 3.49Å
49F45.3Very low54.2Low7 Ų784.9 Ų84.93%0.03142%0.423CS..THydrogen-bonded Turntrans-127.46.3-172.1-53.7-60.6000113.5S2 S4 M43 E47 H51 K64 V121S2-F49 CarbonylContact O-C 3.42Å; S2-F49 WeakPolarHBondContact O-CB 3.34Å; S4-F49 VanDerWaalsContact CB-CE1 3.43Å; M43-F49 WeakPolarHBondContact O-CE2 3.46Å; E47-F49 PolarHBondContact O-N 3.42Å; F49-H51 PolarHBondContact O-N 3.34Å; F49-K64 HydrophobicContact CE1-CD 4.3Å; F49-K64 HydrophobicContact CE1-CG 4.26Å; F49-V121 HydrophobicContact CD1-CB 4.28Å; F49-V121 HydrophobicContact CD1-CG1 3.39Å; F49-V121 HydrophobicContact CD1-CG2 3.86Å; F49-V121 HydrophobicContact CE1-CB 4.26Å; F49-V121 HydrophobicContact CE1-CG1 3.81Å; F49-V121 HydrophobicContact CE1-CG2 3.39Å; F49-V121 HydrophobicContact CZ-CG2 4.39Å
50Q41.8Very low53.2Low90 Ų9086 Ų8642%0.42143%0.427SS..  trans-70.9118.2166.8-71.7-16918.700109.9E47E47-Q50 HydrophobicContact CB-CG 4.15Å; E47-Q50 PolarHBondContact O-N 3.01Å; E47-Q50 PolarHBondContact OE1-NE2 3.38Å
51H43.7Very low52.6Low115 Ų11590.2 Ų90.253%0.53244%0.444SS..  trans-1026.3179.4-132.3-55.8000114F49 R53F49-H51 PolarHBondContact O-N 3.34Å; H51-R53 VanDerWaalsContact C-N 3.35Å; H51-R53 PolarHBondContact O-N 3.15Å
52D41.8Very low52.5Low157 Ų15791.7 Ų91.784%0.8445%0.452SS*.SBendtrans-81.8-0.6-166.9-86.7-29.7000115.7
53R43.4Very low52.4Low222 Ų22293.3 Ų93.384%0.83845%0.453SS*.SBendtrans-145.6106.1178.2-59.9-171.2-147.4-148.57.2113.5H51H51-R53 VanDerWaalsContact C-N 3.35Å; H51-R53 PolarHBondContact O-N 3.15Å
54E44.7Very low52.5Low173 Ų17393.4 Ų93.481%0.80845%0.454SS*.  trans60164.7138.7-81.3-173.1158.900119.1H56E54-H56 VanDerWaalsContact C-N 3.31Å; E54-H56 PolarHBondContact O-N 3.11Å
55P44Very low53Low115 Ų11594 Ų9475%0.74746%0.458SS*.SBendtrans-87.346.6-142.737.5-37.3000114.7Q57P55-Q57 PolarHBondContact O-N 3Å; P55-Q57 VanDerWaalsContact O-N 3.1Å
56H51.1Low54.1Low127 Ų12794.7 Ų94.759%0.58846%0.455SS*.  trans-85.441.6170.2-60.989.3000112E54 Y58 T59 L60E54-H56 VanDerWaalsContact C-N 3.31Å; E54-H56 PolarHBondContact O-N 3.11Å; H56-Y58 PolarHBondContact O-N 2.91Å; H56-T59 HydrophobicContact CB-CG2 4.45Å; H56-T59 VanDerWaalsContact CB-OG1 3.3Å; H56-T59 WeakPolarHBondContact CB-OG1 3.11Å; H56-T59 PolarHBondContact O-N 3.04Å; H56-T59 PolarHBondContact O-OG1 2.93Å; H56-T59 VanDerWaalsContact O-OG1 3.09Å; H56-L60 PolarHBondContact O-N 3.05Å; H56-L60 VanDerWaalsContact O-N 3.08Å
57Q52.9Low55.4Low121 Ų12194.6 Ų94.657%0.56545%0.454SS*.Hα-helixtrans-54.2-32.8-177.3-168-178.2-17.200112.1P55 Y61P55-Q57 PolarHBondContact O-N 3Å; P55-Q57 VanDerWaalsContact O-N 3.1Å; Q57-Y61 WeakPolarHBondContact O-CB 3.3Å; Q57-Y61 PolarHBondContact O-N 3.29Å
58Y51.9Low57.2Low199 Ų19988.3 Ų88.378%0.7843%0.425SS*.Hα-helixtrans-65.6-49.4174.5-73-78000113H56 L60 Y61 D62H56-Y58 PolarHBondContact O-N 2.91Å; Y58-L60 VanDerWaalsContact C-N 3.29Å; Y58-L60 PolarHBondContact O-N 3.39Å; Y58-Y61 PolarHBondContact O-N 3.09Å; Y58-D62 PolarHBondContact O-N 3.49Å
59T56.1Low59.2Low73 Ų7390.3 Ų90.345%0.44843%0.433SS..Hα-helixtrans-68.1-33.2-179.166.10000111.6H56 N63H56-T59 HydrophobicContact CB-CG2 4.45Å; H56-T59 VanDerWaalsContact CB-OG1 3.3Å; H56-T59 WeakPolarHBondContact CB-OG1 3.11Å; H56-T59 PolarHBondContact O-N 3.04Å; H56-T59 PolarHBondContact O-OG1 2.93Å; H56-T59 VanDerWaalsContact O-OG1 3.09Å; T59-N63 VanDerWaalsContact O-CB 3.3Å; T59-N63 WeakPolarHBondContact O-CB 3.3Å; T59-N63 PolarHBondContact O-N 3.32Å; T59-N63 PolarHBondContact O-ND2 3.06Å
60L59.3Low61.2Low35 Ų3595 Ų9518%0.18346%0.455CS..Hα-helixtrans-65.5-44175.4-169.168.8000111.5L48 H56 Y58 K64L48-L60 WeakPolarHBondContact O-CD1 3.45Å; H56-L60 PolarHBondContact O-N 3.05Å; H56-L60 VanDerWaalsContact O-N 3.08Å; Y58-L60 VanDerWaalsContact C-N 3.29Å; Y58-L60 PolarHBondContact O-N 3.39Å; L60-K64 VanDerWaalsContact O-CG 3.3Å; L60-K64 WeakPolarHBondContact O-CG 3.31Å; L60-K64 PolarHBondContact O-N 2.97Å
61Y62.7Low63.3Low95 Ų9590.7 Ų90.737%0.37344%0.435SS..Hα-helixtrans-62.8-49.4176.2-178.1-97.6000111.1Q57 Y58 N63 K64 V65 D118Q57-Y61 WeakPolarHBondContact O-CB 3.3Å; Q57-Y61 PolarHBondContact O-N 3.29Å; Y58-Y61 PolarHBondContact O-N 3.09Å; Y61-N63 VanDerWaalsContact C-N 3.3Å; Y61-N63 PolarHBondContact O-N 3.34Å; Y61-K64 WeakPolarHBondContact O-CB 3.09Å; Y61-K64 PolarHBondContact O-N 2.87Å; Y61-K64 VanDerWaalsContact O-N 3.09Å; Y61-V65 HydrophobicContact CD1-CG2 3.91Å; Y61-V65 HydrophobicContact CD2-CG2 4.44Å; Y61-V65 HydrophobicContact CE1-CG2 3.51Å; Y61-V65 HydrophobicContact CE2-CG2 4.07Å; Y61-V65 HydrophobicContact CG-CG2 4.37Å; Y61-V65 WeakPolarHBondContact O-CG2 3.39Å; Y61-V65 PolarHBondContact O-N 3.4Å; Y61-D118 HydrophobicContact CD2-CB 4.42Å
62D67.6Low65.6Low86 Ų8685.3 Ų85.346%0.4641%0.41SS..Hα-helixtrans-59.1-42.4179.4-70.6-18.2000111.4Y58 K64 V65 N66Y58-D62 PolarHBondContact O-N 3.49Å; D62-K64 PolarHBondContact O-N 3.24Å; D62-V65 PolarHBondContact O-N 2.79Å; D62-N66 VanDerWaalsContact O-CB 3.26Å; D62-N66 WeakPolarHBondContact O-CB 3.26Å; D62-N66 PolarHBondContact O-N 3.31Å; D62-N66 PolarHBondContact O-ND2 2.92Å
63N68.9Low68Low80 Ų8085.5 Ų85.543%0.42840%0.399SS..Hα-helixtrans-61.7-44.7175.4-72-16.4000111.8L48 T59 Y61 N66 T67L48-N63 HydrophobicContact CD1-CB 4.08Å; L48-N63 HydrophobicContact CG-CB 4.31Å; T59-N63 VanDerWaalsContact O-CB 3.3Å; T59-N63 WeakPolarHBondContact O-CB 3.3Å; T59-N63 PolarHBondContact O-N 3.32Å; T59-N63 PolarHBondContact O-ND2 3.06Å; Y61-N63 VanDerWaalsContact C-N 3.3Å; Y61-N63 PolarHBondContact O-N 3.34Å; N63-N66 PolarHBondContact O-N 3.21Å; N63-T67 PolarHBondContact O-N 3.17Å; N63-T67 PolarHBondContact O-OG1 3.36Å
64K69.1Low70.4Confident7 Ų777.4 Ų77.43%0.0337%0.371CS..Hα-helixtrans-59.5-46.9175.6-72169.9-176.7176.70112.9L48 F49 L60 Y61 D62 T67 F68 D118L48-K64 HydrophobicContact CB-CG 4.28Å; L48-K64 VanDerWaalsContact CD2-CA 3.44Å; L48-K64 HydrophobicContact CD2-CB 4.11Å; L48-K64 HydrophobicContact CD2-CG 3.73Å; L48-K64 HydrophobicContact CG-CG 3.97Å; L48-K64 WeakPolarHBondContact O-CE 3.49Å; F49-K64 HydrophobicContact CE1-CD 4.3Å; F49-K64 HydrophobicContact CE1-CG 4.26Å; L60-K64 VanDerWaalsContact O-CG 3.3Å; L60-K64 WeakPolarHBondContact O-CG 3.31Å; L60-K64 PolarHBondContact O-N 2.97Å; Y61-K64 WeakPolarHBondContact O-CB 3.09Å; Y61-K64 PolarHBondContact O-N 2.87Å; Y61-K64 VanDerWaalsContact O-N 3.09Å; D62-K64 PolarHBondContact O-N 3.24Å; K64-T67 PolarHBondContact O-N 3.05Å; K64-F68 WeakPolarHBondContact O-CB 3.31Å; K64-F68 PolarHBondContact O-N 3.05Å; K64-D118 IonicContact NZ-OD1 2.7Å; K64-D118 PolarHBondContact NZ-OD1 3.47Å
65V74.6Confident72.6Confident18 Ų1869.2 Ų69.211%0.10933%0.333CS..Hα-helixtrans-63.1-45.7178.6174.50000110.3Y61 D62 T67 F68 Q69 L114Y61-V65 HydrophobicContact CD1-CG2 3.91Å; Y61-V65 HydrophobicContact CD2-CG2 4.44Å; Y61-V65 HydrophobicContact CE1-CG2 3.51Å; Y61-V65 HydrophobicContact CE2-CG2 4.07Å; Y61-V65 HydrophobicContact CG-CG2 4.37Å; Y61-V65 WeakPolarHBondContact O-CG2 3.39Å; Y61-V65 PolarHBondContact O-N 3.4Å; D62-V65 PolarHBondContact O-N 2.79Å; V65-T67 PolarHBondContact O-N 2.98Å; V65-F68 PolarHBondContact O-N 3.02Å; V65-Q69 HydrophobicContact CG1-CG 4.43Å; V65-Q69 VanDerWaalsContact O-CB 3.31Å; V65-Q69 WeakPolarHBondContact O-CB 3.44Å; V65-Q69 VanDerWaalsContact O-CG 3.29Å; V65-Q69 WeakPolarHBondContact O-CG 3.17Å; V65-Q69 PolarHBondContact O-N 3Å; V65-L114 HydrophobicContact CB-CD2 4.4Å; V65-L114 HydrophobicContact CG1-CD2 4.11Å; V65-L114 HydrophobicContact CG2-CD2 4.11Å
66N80.1Confident75Confident88 Ų8869.4 Ų69.447%0.47132%0.318SS..Hα-helixtrans-62.6-43.2180-71.4-25.8000111.7D62 N63 Q69 E70D62-N66 VanDerWaalsContact O-CB 3.26Å; D62-N66 WeakPolarHBondContact O-CB 3.26Å; D62-N66 PolarHBondContact O-N 3.31Å; D62-N66 PolarHBondContact O-ND2 2.92Å; N63-N66 PolarHBondContact O-N 3.21Å; N66-Q69 WeakPolarHBondContact O-CB 3.1Å; N66-Q69 PolarHBondContact O-N 2.97Å; N66-E70 WeakPolarHBondContact O-CB 3.06Å; N66-E70 PolarHBondContact O-N 3.21Å
67T76.9Confident77.1Confident23 Ų2366.4 Ų66.414%0.14131%0.312CS..Hα-helixtrans-70-38.4179-45.60000112M43 N63 K64 V65 Q69 E70 L71M43-T67 HydrophobicContact CB-CG2 4.29Å; M43-T67 HydrophobicContact CG-CG2 3.25Å; M43-T67 HydrophobicContact SD-CG2 4.46Å; N63-T67 PolarHBondContact O-N 3.17Å; N63-T67 PolarHBondContact O-OG1 3.36Å; K64-T67 PolarHBondContact O-N 3.05Å; V65-T67 PolarHBondContact O-N 2.98Å; T67-Q69 VanDerWaalsContact C-N 3.34Å; T67-E70 PolarHBondContact O-N 2.82Å; T67-L71 PolarHBondContact O-N 2.91Å
68F82.3Confident79Confident4 Ų460.8 Ų60.82%0.01829%0.286CS..Hα-helixtrans-65.7-38.8173.2-179.7-111.1000111.9K64 V65 E70 L71 C72 L105 Y110 F113 L114K64-F68 WeakPolarHBondContact O-CB 3.31Å; K64-F68 PolarHBondContact O-N 3.05Å; V65-F68 PolarHBondContact O-N 3.02Å; F68-E70 VanDerWaalsContact C-N 3.32Å; F68-E70 PolarHBondContact O-N 3.21Å; F68-L71 HydrophobicContact CD2-CD2 4.34Å; F68-L71 HydrophobicContact CE2-CD2 4.48Å; F68-L71 WeakPolarHBondContact O-CB 3.01Å; F68-L71 PolarHBondContact O-N 2.04Å; F68-C72 VanDerWaalsContact CZ-SG 3.58Å; F68-C72 PolarHBondContact O-N 3.01Å; F68-C72 PolarHBondContact O-SG 3.05Å; F68-L105 HydrophobicContact CE2-CB 4.33Å; F68-L105 HydrophobicContact CZ-CB 4.16Å; F68-Y110 HydrophobicContact CD1-CD2 4.35Å; F68-Y110 AromaticContact CD1-CE2 3.91Å; F68-Y110 HydrophobicContact CD1-CE2 3.91Å; F68-Y110 AromaticContact CE1-CD2 3.52Å; F68-Y110 HydrophobicContact CE1-CD2 3.52Å; F68-Y110 AromaticContact CE1-CE2 3.55Å; F68-Y110 HydrophobicContact CE1-CE2 3.55Å; F68-Y110 HydrophobicContact CE1-CG 4.41Å; F68-Y110 HydrophobicContact CZ-CD2 4.21Å; F68-F113 AromaticContact CD1-CD1 3.84Å; F68-F113 HydrophobicContact CD1-CD1 3.84Å; F68-F113 HydrophobicContact CD1-CE1 4.21Å; F68-F113 AromaticContact CD2-CD1 3.74Å; F68-F113 HydrophobicContact CD2-CD1 3.74Å; F68-F113 AromaticContact CD2-CE1 3.47Å; F68-F113 HydrophobicContact CD2-CE1 3.47Å; F68-F113 VanDerWaalsContact CD2-CE1 3.47Å; F68-F113 HydrophobicContact CD2-CZ 4.48Å; F68-F113 HydrophobicContact CE1-CB 4.46Å; F68-F113 AromaticContact CE1-CD1 3.52Å; F68-F113 HydrophobicContact CE1-CD1 3.52Å; F68-F113 HydrophobicContact CE1-CE1 4.25Å; F68-F113 HydrophobicContact CE1-CG 4.35Å; F68-F113 AromaticContact CE2-CD1 3.43Å; F68-F113 HydrophobicContact CE2-CD1 3.43Å; F68-F113 VanDerWaalsContact CE2-CD1 3.43Å; F68-F113 AromaticContact CE2-CE1 3.54Å; F68-F113 HydrophobicContact CE2-CE1 3.54Å; F68-F113 HydrophobicContact CE2-CG 4.25Å; F68-F113 HydrophobicContact CE2-CZ 4.43Å; F68-F113 AromaticContact CG-CD1 3.93Å; F68-F113 HydrophobicContact CG-CD1 3.93Å; F68-F113 AromaticContact CG-CE1 3.83Å; F68-F113 HydrophobicContact CG-CE1 3.83Å; F68-F113 HydrophobicContact CZ-CB 4.24Å; F68-F113 AromaticContact CZ-CD1 3.31Å; F68-F113 HydrophobicContact CZ-CD1 3.31Å; F68-F113 AromaticContact CZ-CE1 3.93Å; F68-F113 HydrophobicContact CZ-CE1 3.93Å; F68-F113 AromaticContact CZ-CG 3.95Å; F68-F113 HydrophobicContact CZ-CG 3.95Å; F68-L114 HydrophobicContact CD1-CD2 3.6Å; F68-L114 HydrophobicContact CD1-CG 4.11Å; F68-L114 HydrophobicContact CE1-CD2 4.24Å; F68-L114 HydrophobicContact CE1-CG 4.27Å; F68-L114 HydrophobicContact CG-CD2 4.46Å
69Q86Confident80.9Confident61 Ų6154.1 Ų54.129%0.28526%0.262SS..Hα-helixtrans-59.8-42.8172.1-84.1174.23.400112.4V65 N66 T67 C72 R73 Y110V65-Q69 HydrophobicContact CG1-CG 4.43Å; V65-Q69 VanDerWaalsContact O-CB 3.31Å; V65-Q69 WeakPolarHBondContact O-CB 3.44Å; V65-Q69 VanDerWaalsContact O-CG 3.29Å; V65-Q69 WeakPolarHBondContact O-CG 3.17Å; V65-Q69 PolarHBondContact O-N 3Å; N66-Q69 WeakPolarHBondContact O-CB 3.1Å; N66-Q69 PolarHBondContact O-N 2.97Å; T67-Q69 VanDerWaalsContact C-N 3.34Å; Q69-C72 PolarHBondContact O-N 3.31Å; Q69-R73 WeakPolarHBondContact O-CG 3.04Å; Q69-R73 PolarHBondContact O-N 3.05Å; Q69-Y110 WeakPolarHBondContact CG-OH 3.2Å; Q69-Y110 PolarHBondContact NE2-OH 3.4Å
70E86.3Confident82.7Confident105 Ų10555.6 Ų55.649%0.49127%0.271SS..Hα-helixtrans-63.1-45.8176.2-173.6171.6-167.300111.3N66 T67 F68 C72 R73 E74N66-E70 WeakPolarHBondContact O-CB 3.06Å; N66-E70 PolarHBondContact O-N 3.21Å; T67-E70 PolarHBondContact O-N 2.82Å; F68-E70 VanDerWaalsContact C-N 3.32Å; F68-E70 PolarHBondContact O-N 3.21Å; E70-C72 VanDerWaalsContact C-N 3.31Å; E70-C72 PolarHBondContact O-N 3.08Å; E70-R73 WeakPolarHBondContact O-CB 3.28Å; E70-R73 PolarHBondContact O-N 2.65Å; E70-E74 PolarHBondContact O-N 3.44Å
71L86.2Confident84.4Confident1 Ų155.1 Ų55.11%0.00527%0.27CS..Hα-helixtrans-53.5-49.8171.7175.365.5000111.2V36 I40 M43 T67 F68 R73 E74 I75 Y102V36-L71 HydrophobicContact CG1-CD1 4.34Å; I40-L71 HydrophobicContact CD1-CD1 4.5Å; I40-L71 HydrophobicContact CG1-CD1 3.71Å; M43-L71 HydrophobicContact CE-CB 3.71Å; M43-L71 HydrophobicContact CE-CD1 3.78Å; M43-L71 HydrophobicContact CE-CD2 3.18Å; M43-L71 HydrophobicContact CE-CG 3.68Å; M43-L71 HydrophobicContact SD-CB 4.04Å; M43-L71 HydrophobicContact SD-CD2 3.9Å; M43-L71 HydrophobicContact SD-CG 4.49Å; T67-L71 PolarHBondContact O-N 2.91Å; F68-L71 HydrophobicContact CD2-CD2 4.34Å; F68-L71 HydrophobicContact CE2-CD2 4.48Å; F68-L71 WeakPolarHBondContact O-CB 3.01Å; F68-L71 PolarHBondContact O-N 2.04Å; L71-R73 VanDerWaalsContact C-N 3.28Å; L71-R73 PolarHBondContact O-N 2.95Å; L71-E74 CarbonylContact O-C 3.45Å; L71-E74 WeakPolarHBondContact O-CA 3.37Å; L71-E74 WeakPolarHBondContact O-CB 3.18Å; L71-E74 PolarHBondContact O-N 3.18Å; L71-I75 HydrophobicContact CD1-CD1 4.46Å; L71-I75 HydrophobicContact CD1-CG1 4.15Å; L71-I75 HydrophobicContact CG-CG1 4.2Å; L71-I75 WeakPolarHBondContact O-CG1 3.35Å; L71-I75 PolarHBondContact O-N 3.02Å; L71-Y102 HydrophobicContact CD2-CD1 3.47Å; L71-Y102 VanDerWaalsContact CD2-CD1 3.47Å; L71-Y102 HydrophobicContact CD2-CE1 3.8Å; L71-Y102 HydrophobicContact CD2-CG 4.38Å
72C90.8Very high85.8Confident1 Ų150.6 Ų50.61%0.00725%0.252CS..Hα-helixtrans-64.8-32.3-177.6-68.40000113.3F68 Q69 E70 E74 I75 W76 C106 Y110F68-C72 VanDerWaalsContact CZ-SG 3.58Å; F68-C72 PolarHBondContact O-N 3.01Å; F68-C72 PolarHBondContact O-SG 3.05Å; Q69-C72 PolarHBondContact O-N 3.31Å; E70-C72 VanDerWaalsContact C-N 3.31Å; E70-C72 PolarHBondContact O-N 3.08Å; C72-E74 VanDerWaalsContact C-N 3.35Å; C72-I75 PolarHBondContact O-N 2.66Å; C72-W76 VanDerWaalsContact O-CG 3.29Å; C72-W76 PolarHBondContact O-N 3.34Å; C72-C106 WeakPolarHBondContact CA-SG 3.06Å; C72-C106 HydrophobicContact CB-CB 3.61Å; C72-C106 WeakPolarHBondContact CB-SG 3.33Å; C72-C106 WeakPolarHBondContact SG-CA 3.23Å; C72-C106 WeakPolarHBondContact SG-CB 3.17Å; C72-C106 CovalentContact SG-SG 2.05Å; C72-C106 PolarHBondContact SG-SG 3.34Å; C72-Y110 HydrophobicContact CB-CE2 4.29Å
73R93.2Very high87Confident161 Ų16155.7 Ų55.761%0.60827%0.265SS*.Hα-helixtrans-63.8-41170.7-70.7175.3-172.9-168.54.7112Q69 E70 L71 S77Q69-R73 WeakPolarHBondContact O-CG 3.04Å; Q69-R73 PolarHBondContact O-N 3.05Å; E70-R73 WeakPolarHBondContact O-CB 3.28Å; E70-R73 PolarHBondContact O-N 2.65Å; L71-R73 VanDerWaalsContact C-N 3.28Å; L71-R73 PolarHBondContact O-N 2.95Å; R73-S77 WeakPolarHBondContact O-CB 3.39Å; R73-S77 PolarHBondContact O-N 3.48Å; R73-S77 PolarHBondContact O-OG 3Å
74E93Very high88.1Confident53 Ų5356 Ų5625%0.24827%0.271CS..Hα-helixtrans-67.5-36.5175.4-65.4-52146.200112P35 V36 S39 E70 L71 C72 S77 F78P35-E74 HydrophobicContact CB-CG 4.49Å; P35-E74 WeakPolarHBondContact CB-OE2 3.31Å; V36-E74 HydrophobicContact CG2-CB 4.12Å; S39-E74 WeakPolarHBondContact OG-CG 3.27Å; E70-E74 PolarHBondContact O-N 3.44Å; L71-E74 CarbonylContact O-C 3.45Å; L71-E74 WeakPolarHBondContact O-CA 3.37Å; L71-E74 WeakPolarHBondContact O-CB 3.18Å; L71-E74 PolarHBondContact O-N 3.18Å; C72-E74 VanDerWaalsContact C-N 3.35Å; E74-S77 PolarHBondContact O-N 3.38Å; E74-F78 WeakPolarHBondContact O-CB 3.34Å; E74-F78 PolarHBondContact O-N 2.69Å
75I91.7Very high89.1Confident0 Ų056.5 Ų56.50%028%0.275CS..Hα-helixtrans-63.4-47.3175.1-67-69.8000111.3V36 L71 C72 S77 F78 E79 I98 Y102 C106V36-I75 HydrophobicContact CG1-CD1 3.61Å; V36-I75 HydrophobicContact CG2-CD1 4.21Å; L71-I75 HydrophobicContact CD1-CD1 4.46Å; L71-I75 HydrophobicContact CD1-CG1 4.15Å; L71-I75 HydrophobicContact CG-CG1 4.2Å; L71-I75 WeakPolarHBondContact O-CG1 3.35Å; L71-I75 PolarHBondContact O-N 3.02Å; C72-I75 PolarHBondContact O-N 2.66Å; I75-S77 VanDerWaalsContact C-N 3.28Å; I75-S77 PolarHBondContact O-N 2.85Å; I75-F78 WeakPolarHBondContact O-CB 3.49Å; I75-F78 PolarHBondContact O-N 3.36Å; I75-E79 WeakPolarHBondContact O-CG 3.29Å; I75-E79 PolarHBondContact O-N 2.96Å; I75-I98 HydrophobicContact CD1-CG2 3.62Å; I75-Y102 VanDerWaalsContact CD1-CB 3.48Å; I75-Y102 HydrophobicContact CD1-CG 4.32Å; I75-C106 HydrophobicContact CG2-CB 4.33Å
76W94Very high89.7Confident119 Ų11958.7 Ų58.745%0.45128%0.284SS..Hα-helixtrans-64.5-34.9176.2-62.8-29.2000112.5C72 T80 C106C72-W76 VanDerWaalsContact O-CG 3.29Å; C72-W76 PolarHBondContact O-N 3.34Å; W76-T80 WeakPolarHBondContact O-CB 3.47Å; W76-T80 PolarHBondContact O-N 3.48Å; W76-T80 PolarHBondContact O-OG1 2.89Å; W76-C106 WeakPolarHBondContact CZ2-O 2.86Å
77S95.2Very high90.1Very high65 Ų6562.8 Ų62.846%0.45529%0.294SS..Hα-helixtrans-66.5-41.5174.2-60.40000111.1R73 E74 I75 T80 C81R73-S77 WeakPolarHBondContact O-CB 3.39Å; R73-S77 PolarHBondContact O-N 3.48Å; R73-S77 PolarHBondContact O-OG 3Å; E74-S77 PolarHBondContact O-N 3.38Å; I75-S77 VanDerWaalsContact C-N 3.28Å; I75-S77 PolarHBondContact O-N 2.85Å; S77-T80 PolarHBondContact O-N 2.73Å; S77-C81 WeakPolarHBondContact O-CB 3.4Å; S77-C81 PolarHBondContact O-N 2.94Å
78F93Very high90.7Very high2 Ų264.9 Ų64.91%0.00930%0.304CS..Hα-helixtrans-58.9-53.2173.2166-98.4000111.1C32 I33 V36 E74 I75 T80 C81 I82 L95 I98C32-F78 HydrophobicContact CB-CD2 3.8Å; C32-F78 HydrophobicContact CB-CE2 4.25Å; I33-F78 HydrophobicContact CB-CD2 4.44Å; I33-F78 HydrophobicContact CB-CE2 4.21Å; V36-F78 HydrophobicContact CG2-CB 3.68Å; V36-F78 HydrophobicContact CG2-CG 4.22Å; E74-F78 WeakPolarHBondContact O-CB 3.34Å; E74-F78 PolarHBondContact O-N 2.69Å; I75-F78 WeakPolarHBondContact O-CB 3.49Å; I75-F78 PolarHBondContact O-N 3.36Å; F78-T80 VanDerWaalsContact C-N 3.28Å; F78-T80 PolarHBondContact O-N 3.36Å; F78-C81 WeakPolarHBondContact O-CA 3.39Å; F78-C81 WeakPolarHBondContact O-CB 2.94Å; F78-C81 PolarHBondContact O-N 3.48Å; F78-I82 HydrophobicContact CD1-CD1 4.27Å; F78-I82 HydrophobicContact CD2-CG2 3.97Å; F78-I82 HydrophobicContact CE1-CD1 3.65Å; F78-I82 HydrophobicContact CE2-CG2 3.61Å; F78-I82 HydrophobicContact CZ-CD1 3.8Å; F78-I82 HydrophobicContact CZ-CG2 3.96Å; F78-I82 WeakPolarHBondContact O-CG1 3.48Å; F78-I82 PolarHBondContact O-N 3.01Å; F78-L95 HydrophobicContact CE1-CD1 3.97Å; F78-L95 HydrophobicContact CZ-CD1 3.94Å; F78-I98 HydrophobicContact CD1-CG2 3.76Å; F78-I98 HydrophobicContact CE1-CB 4.05Å; F78-I98 HydrophobicContact CE1-CD1 4.03Å; F78-I98 HydrophobicContact CE1-CG2 3.6Å; F78-I98 HydrophobicContact CE2-CD1 4.09Å; F78-I98 HydrophobicContact CZ-CB 4.49Å; F78-I98 HydrophobicContact CZ-CD1 3.79Å; F78-I98 HydrophobicContact CZ-CG2 4.42Å
79E91.9Very high90.7Very high59 Ų5964.8 Ų64.828%0.27630%0.304SS..Hα-helixtrans-55.4-44.2178.4-72.8179165.900111.7I75 C81 I82 R83I75-E79 WeakPolarHBondContact O-CG 3.29Å; I75-E79 PolarHBondContact O-N 2.96Å; E79-C81 VanDerWaalsContact C-N 3.35Å; E79-C81 PolarHBondContact O-N 2.97Å; E79-I82 WeakPolarHBondContact O-CG1 3.44Å; E79-R83 PolarHBondContact O-N 3.07Å; E79-R83 VanDerWaalsContact O-N 3.13Å
80T94.2Very high90.3Very high104 Ų10465.3 Ų65.364%0.63832%0.315SS*.Hα-helixtrans-64.6-40.5175.4-57.50000111.7W76 S77 F78W76-T80 WeakPolarHBondContact O-CB 3.47Å; W76-T80 PolarHBondContact O-N 3.48Å; W76-T80 PolarHBondContact O-OG1 2.89Å; S77-T80 PolarHBondContact O-N 2.73Å; F78-T80 VanDerWaalsContact C-N 3.28Å; F78-T80 PolarHBondContact O-N 3.36Å
81C94.8Very high89.8Confident25 Ų2565.2 Ų65.217%0.16931%0.314CS..Hα-helixtrans-67.1-36.5-177.2-176.10000112.7R28 C32 S77 F78 E79R28-C81 PolarHBondContact NE-O 2.95Å; R28-C81 PolarHBondContact NH2-O 2.89Å; R28-C81 VanDerWaalsContact NH2-O 3.08Å; C32-C81 HydrophobicContact CB-CB 3.67Å; C32-C81 WeakPolarHBondContact CB-SG 3.47Å; C32-C81 WeakPolarHBondContact SG-CB 3.31Å; C32-C81 CovalentContact SG-SG 2.02Å; C32-C81 PolarHBondContact SG-SG 2.8Å; S77-C81 WeakPolarHBondContact O-CB 3.4Å; S77-C81 PolarHBondContact O-N 2.94Å; F78-C81 WeakPolarHBondContact O-CA 3.39Å; F78-C81 WeakPolarHBondContact O-CB 2.94Å; F78-C81 PolarHBondContact O-N 3.48Å; E79-C81 VanDerWaalsContact C-N 3.35Å; E79-C81 PolarHBondContact O-N 2.97Å
82I92.5Very high89.3Confident0 Ų065.4 Ų65.40%032%0.315CS..Hα-helixtrans-89.7-17-178.865.8167.3000114.1I29 C32 F78 E79 P84 V85 E86 L95I29-I82 HydrophobicContact CG1-CG2 4.2Å; C32-I82 HydrophobicContact CB-CG2 3.73Å; F78-I82 HydrophobicContact CD1-CD1 4.27Å; F78-I82 HydrophobicContact CD2-CG2 3.97Å; F78-I82 HydrophobicContact CE1-CD1 3.65Å; F78-I82 HydrophobicContact CE2-CG2 3.61Å; F78-I82 HydrophobicContact CZ-CD1 3.8Å; F78-I82 HydrophobicContact CZ-CG2 3.96Å; F78-I82 WeakPolarHBondContact O-CG1 3.48Å; F78-I82 PolarHBondContact O-N 3.01Å; E79-I82 WeakPolarHBondContact O-CG1 3.44Å; I82-P84 WeakPolarHBondContact O-CD 3.01Å; I82-V85 HydrophobicContact CB-CG2 4.47Å; I82-V85 CarbonylContact O-C 3.5Å; I82-V85 VanDerWaalsContact O-CG2 3.24Å; I82-V85 WeakPolarHBondContact O-CG2 3.44Å; I82-V85 PolarHBondContact O-N 3.47Å; I82-E86 HydrophobicContact CD1-CG 4.18Å; I82-E86 PolarHBondContact O-N 3.19Å; I82-L95 HydrophobicContact CD1-CD1 3.08Å; I82-L95 HydrophobicContact CD1-CG 4.41Å
83R92.3Very high88.6Confident194 Ų19466 Ų6673%0.73232%0.318SS*.THydrogen-bonded Turntrans-45.2-38.9-175.2-169.5176.9-175.5171.33.4114.8E79 V85E79-R83 PolarHBondContact O-N 3.07Å; E79-R83 VanDerWaalsContact O-N 3.13Å; R83-V85 VanDerWaalsContact C-N 3.28Å; R83-V85 PolarHBondContact O-N 3.43Å
84P92Very high87.8Confident86 Ų8658.7 Ų58.756%0.55829%0.291SS*.THydrogen-bonded Turntrans-68.5-20.7177.9-21.235000115.2I82 Y87I82-P84 WeakPolarHBondContact O-CD 3.01Å; P84-Y87 VanDerWaalsContact O-CE1 3.28Å; P84-Y87 WeakPolarHBondContact O-CE1 3.35Å
85V90.2Very high87.2Confident18 Ų1856.2 Ų56.211%0.10928%0.279CS..THydrogen-bonded Turntrans-119.2-11.9-174.2-610000113.5A25 R28 I29 I82 R83 Y87 L88A25-V85 HydrophobicContact CB-CB 3.86Å; A25-V85 HydrophobicContact CB-CG1 4.34Å; A25-V85 HydrophobicContact CB-CG2 4.42Å; R28-V85 HydrophobicContact CB-CG1 4.37Å; R28-V85 HydrophobicContact CB-CG2 4.01Å; R28-V85 HydrophobicContact CG-CG1 4.29Å; R28-V85 HydrophobicContact CG-CG2 3.75Å; I29-V85 HydrophobicContact CG1-CG2 4.49Å; I82-V85 HydrophobicContact CB-CG2 4.47Å; I82-V85 CarbonylContact O-C 3.5Å; I82-V85 VanDerWaalsContact O-CG2 3.24Å; I82-V85 WeakPolarHBondContact O-CG2 3.44Å; I82-V85 PolarHBondContact O-N 3.47Å; R83-V85 VanDerWaalsContact C-N 3.28Å; R83-V85 PolarHBondContact O-N 3.43Å; V85-Y87 VanDerWaalsContact C-N 3.29Å; V85-Y87 PolarHBondContact O-N 3.45Å; V85-L88 VanDerWaalsContact O-CB 3.28Å; V85-L88 WeakPolarHBondContact O-CB 3.21Å; V85-L88 PolarHBondContact O-N 2.91Å
86E87.8Confident86.7Confident64 Ų6458.6 Ų58.630%0.29929%0.289SS..G310 helixtrans-52.8-43.6-174.7-168.5-169.9167.400112.9I82 L88 C89 S90 L95 Q99I82-E86 HydrophobicContact CD1-CG 4.18Å; I82-E86 PolarHBondContact O-N 3.19Å; E86-L88 PolarHBondContact O-N 3.5Å; E86-C89 CarbonylContact O-C 3.58Å; E86-C89 VanDerWaalsContact O-C 3.28Å; E86-C89 WeakPolarHBondContact O-CA 3.33Å; E86-C89 PolarHBondContact O-N 2.9Å; E86-S90 PolarHBondContact O-N 3.45Å; E86-L95 HydrophobicContact CG-CD1 4.45Å; E86-L95 HydrophobicContact CG-CD2 3.74Å; E86-Q99 PolarHBondContact OE1-NE2 3.3Å
87Y88.2Confident86.1Confident174 Ų17453.1 Ų53.168%0.68227%0.269SS*.G310 helixtrans-64.2-23.8179.976.9-86.1000113.6P84 V85P84-Y87 VanDerWaalsContact O-CE1 3.28Å; P84-Y87 WeakPolarHBondContact O-CE1 3.35Å; V85-Y87 VanDerWaalsContact C-N 3.29Å; V85-Y87 PolarHBondContact O-N 3.45Å
88L88.6Confident85.6Confident66 Ų6650.1 Ų50.135%0.34625%0.248SC..G310 helixtrans-77.6-15.4174.9-59.1170.9000112P22 A25 V85 E86P22-L88 HydrophobicContact CG-CB 4.21Å; P22-L88 HydrophobicContact CG-CD1 4.36Å; A25-L88 HydrophobicContact CB-CB 4.28Å; A25-L88 HydrophobicContact CB-CD1 4.34Å; V85-L88 VanDerWaalsContact O-CB 3.28Å; V85-L88 WeakPolarHBondContact O-CB 3.21Å; V85-L88 PolarHBondContact O-N 2.91Å; E86-L88 PolarHBondContact O-N 3.5Å
89C83.8Confident85.2Confident2 Ų252.7 Ų52.71%0.01426%0.259CS..G310 helixtrans-131.430-168.2-83.80000112.9C21 A25 I29 E86 E91 H92 L95C21-C89 HydrophobicContact CB-CB 4.41Å; C21-C89 WeakPolarHBondContact CB-SG 3.43Å; C21-C89 WeakPolarHBondContact SG-CA 3.25Å; C21-C89 WeakPolarHBondContact SG-CB 3.35Å; C21-C89 CovalentContact SG-SG 2.04Å; C21-C89 PolarHBondContact SG-SG 3.35Å; A25-C89 VanDerWaalsContact CB-SG 3.54Å; I29-C89 HydrophobicContact CD1-CB 3.64Å; E86-C89 CarbonylContact O-C 3.58Å; E86-C89 VanDerWaalsContact O-C 3.28Å; E86-C89 WeakPolarHBondContact O-CA 3.33Å; E86-C89 PolarHBondContact O-N 2.9Å; C89-E91 PolarHBondContact O-N 3.46Å; C89-H92 HydrophobicContact CB-CB 3.97Å; C89-H92 WeakPolarHBondContact O-CB 3.38Å; C89-H92 PolarHBondContact O-N 3.33Å; C89-L95 WeakPolarHBondContact O-CD2 3.3Å
90S77.5Confident84.9Confident73 Ų7352.7 Ų52.751%0.5126%0.26SS..THydrogen-bonded Turntrans-55.3-24.4-178.452.80000114.3E86 K96E86-S90 PolarHBondContact O-N 3.45Å; S90-K96 WeakPolarHBondContact O-CE 3.29Å
91E74.4Confident84.5Confident102 Ų10247.8 Ų47.848%0.47723%0.229SC..THydrogen-bonded Turntrans-1007.5177.1-65.2-58.3126.700114.1C89 K93 K96C89-E91 PolarHBondContact O-N 3.46Å; E91-K93 PolarHBondContact O-N 3.27Å; E91-K96 IonicContact OE1-NZ 3.56Å; E91-K96 PolarHBondContact OE1-NZ 2.67Å; E91-K96 IonicContact OE2-NZ 3.31Å; E91-K96 PolarHBondContact OE2-NZ 3.34Å
92H77.1Confident84Confident5 Ų546.6 Ų46.62%0.02322%0.221CC..  trans-67.7122.6178-167.9-63000110.1A18 I29 C89 T94 L95 K96A18-H92 VanDerWaalsContact CB-CD2 3.5Å; A18-H92 WeakPolarHBondContact CB-CD2 3.44Å; A18-H92 WeakPolarHBondContact CB-NE2 3.2Å; I29-H92 HydrophobicContact CD1-CB 4.3Å; C89-H92 HydrophobicContact CB-CB 3.97Å; C89-H92 WeakPolarHBondContact O-CB 3.38Å; C89-H92 PolarHBondContact O-N 3.33Å; H92-T94 PolarHBondContact CE1-OG1 3.23Å; H92-T94 PolarHBondContact ND1-N 2.86Å; H92-T94 PolarHBondContact O-N 2.73Å; H92-L95 HydrophobicContact CB-CB 3.94Å; H92-L95 WeakPolarHBondContact O-CB 3.49Å; H92-L95 PolarHBondContact O-N 3.3Å; H92-K96 PolarHBondContact O-N 3.43Å
93K75.1Confident83.8Confident15 Ų1546.7 Ų46.77%0.06522%0.222CC..Hα-helixtrans-65.9-44.9-170.3-70.5176.1-179.2174.10112.9V16 E91 L95 K96 F97 I207 D211V16-K93 HydrophobicContact CB-CD 3.6Å; V16-K93 HydrophobicContact CG1-CD 3.45Å; V16-K93 VanDerWaalsContact CG1-CD 3.45Å; E91-K93 PolarHBondContact O-N 3.27Å; K93-L95 VanDerWaalsContact C-N 3.29Å; K93-L95 PolarHBondContact O-N 3.32Å; K93-K96 PolarHBondContact O-N 3.25Å; K93-F97 VanDerWaalsContact O-CB 3.24Å; K93-F97 WeakPolarHBondContact O-CB 3.3Å; K93-F97 PolarHBondContact O-N 3.04Å; K93-I207 HydrophobicContact CB-CG2 4.06Å; K93-I207 HydrophobicContact CD-CG2 4.19Å; K93-I207 HydrophobicContact CG-CG2 4.04Å; K93-D211 WeakPolarHBondContact CE-OD1 3.36Å; K93-D211 WeakPolarHBondContact CE-OD2 3.26Å; K93-D211 IonicContact NZ-OD1 2.72Å; K93-D211 PolarHBondContact NZ-OD1 2.7Å; K93-D211 IonicContact NZ-OD2 2.55Å; K93-D211 PolarHBondContact NZ-OD2 3.47Å
94T75.9Confident83.6Confident7 Ų738.2 Ų38.24%0.04319%0.191CC..Hα-helixtrans-61.8-40.4178.3-47.50000112.3V14 I33 H92 F97 I98V14-T94 HydrophobicContact CB-CG2 4.33Å; V14-T94 HydrophobicContact CG1-CG2 3.52Å; V14-T94 HydrophobicContact CG2-CG2 4.23Å; V14-T94 PolarHBondContact O-OG1 2.87Å; I33-T94 HydrophobicContact CD1-CG2 3.09Å; I33-T94 HydrophobicContact CG1-CG2 4.49Å; H92-T94 PolarHBondContact CE1-OG1 3.23Å; H92-T94 PolarHBondContact ND1-N 2.86Å; H92-T94 PolarHBondContact O-N 2.73Å; T94-F97 PolarHBondContact O-N 3.39Å; T94-I98 HydrophobicContact CG2-CD1 4.19Å; T94-I98 WeakPolarHBondContact O-CG1 3.48Å; T94-I98 PolarHBondContact O-N 2.86Å
95L80.6Confident83.3Confident1 Ų134.2 Ų34.21%0.00516%0.164CC..Hα-helixtrans-60.2-55.4174.3172.159.8000110.8F78 I82 E86 C89 H92 K93 F97 I98 Q99F78-L95 HydrophobicContact CE1-CD1 3.97Å; F78-L95 HydrophobicContact CZ-CD1 3.94Å; I82-L95 HydrophobicContact CD1-CD1 3.08Å; I82-L95 HydrophobicContact CD1-CG 4.41Å; E86-L95 HydrophobicContact CG-CD1 4.45Å; E86-L95 HydrophobicContact CG-CD2 3.74Å; C89-L95 WeakPolarHBondContact O-CD2 3.3Å; H92-L95 HydrophobicContact CB-CB 3.94Å; H92-L95 WeakPolarHBondContact O-CB 3.49Å; H92-L95 PolarHBondContact O-N 3.3Å; K93-L95 VanDerWaalsContact C-N 3.29Å; K93-L95 PolarHBondContact O-N 3.32Å; L95-F97 VanDerWaalsContact C-N 3.26Å; L95-F97 PolarHBondContact O-N 3.2Å; L95-I98 PolarHBondContact O-N 3.31Å; L95-Q99 VanDerWaalsContact CD1-CD 3.48Å; L95-Q99 HydrophobicContact CD1-CG 3.97Å; L95-Q99 WeakPolarHBondContact O-CB 3.25Å; L95-Q99 WeakPolarHBondContact O-CG 3.33Å; L95-Q99 PolarHBondContact O-N 3.07Å
96K82.8Confident83.3Confident50 Ų5033.5 Ų33.522%0.21716%0.16CC..Hα-helixtrans-56.3-43176.8-74.2-166.3178.3-179.30111.7S90 E91 H92 K93 Q99 E100 I207S90-K96 WeakPolarHBondContact O-CE 3.29Å; E91-K96 IonicContact OE1-NZ 3.56Å; E91-K96 PolarHBondContact OE1-NZ 2.67Å; E91-K96 IonicContact OE2-NZ 3.31Å; E91-K96 PolarHBondContact OE2-NZ 3.34Å; H92-K96 PolarHBondContact O-N 3.43Å; K93-K96 PolarHBondContact O-N 3.25Å; K96-Q99 PolarHBondContact O-N 3.49Å; K96-E100 VanDerWaalsContact O-CB 3.23Å; K96-E100 WeakPolarHBondContact O-CB 3.31Å; K96-E100 VanDerWaalsContact O-CG 3.26Å; K96-E100 WeakPolarHBondContact O-CG 3.46Å; K96-E100 PolarHBondContact O-N 3.11Å; K96-I207 HydrophobicContact CB-CD1 3.91Å; K96-I207 HydrophobicContact CB-CG1 4.43Å
97F80.7Confident83.3Confident3 Ų334 Ų341%0.01317%0.168CC..Hα-helixtrans-60-51.3180172.5-98.9000110.3G10 I13 V14 K93 T94 L95 Q99 S101 Y102 A204 I207G10-F97 WeakPolarHBondContact O-CE1 2.92Å; G10-F97 WeakPolarHBondContact O-CE2 3.39Å; G10-F97 WeakPolarHBondContact O-CZ 3.41Å; I13-F97 HydrophobicContact CB-CD2 4.27Å; I13-F97 HydrophobicContact CD1-CD2 4.26Å; I13-F97 HydrophobicContact CD1-CE2 4.22Å; I13-F97 HydrophobicContact CG2-CD2 4.28Å; V14-F97 HydrophobicContact CG2-CD1 4.16Å; K93-F97 VanDerWaalsContact O-CB 3.24Å; K93-F97 WeakPolarHBondContact O-CB 3.3Å; K93-F97 PolarHBondContact O-N 3.04Å; T94-F97 PolarHBondContact O-N 3.39Å; L95-F97 VanDerWaalsContact C-N 3.26Å; L95-F97 PolarHBondContact O-N 3.2Å; F97-Q99 PolarHBondContact O-N 3.26Å; F97-S101 WeakPolarHBondContact CZ-OG 3.03Å; F97-S101 VanDerWaalsContact O-CB 3.29Å; F97-S101 WeakPolarHBondContact O-CB 3.38Å; F97-S101 PolarHBondContact O-N 2.97Å; F97-S101 PolarHBondContact O-OG 3.47Å; F97-Y102 HydrophobicContact CE1-CD2 4.04Å; F97-Y102 AromaticContact CE1-CE2 3.74Å; F97-Y102 HydrophobicContact CE1-CE2 3.74Å; F97-Y102 HydrophobicContact CZ-CD2 4.35Å; F97-Y102 AromaticContact CZ-CE2 3.92Å; F97-Y102 HydrophobicContact CZ-CE2 3.92Å; F97-A204 HydrophobicContact CD2-CB 4.3Å; F97-A204 HydrophobicContact CE2-CB 4.03Å; F97-I207 VanDerWaalsContact CA-CD1 3.43Å; F97-I207 HydrophobicContact CB-CD1 3.57Å; F97-I207 HydrophobicContact CD2-CD1 4.46Å; F97-I207 VanDerWaalsContact N-CD1 3.34Å
98I83.5Confident83.3Confident3 Ų332.2 Ų32.22%0.01517%0.166CC..Hα-helixtrans-60.1-49.7179.2-72.3172.4000110.7I33 V36 I75 F78 T94 L95 S101 Y102 G103I33-I98 HydrophobicContact CD1-CD1 3.55Å; I33-I98 HydrophobicContact CG1-CD1 3.61Å; V36-I98 HydrophobicContact CG1-CD1 4.49Å; I75-I98 HydrophobicContact CD1-CG2 3.62Å; F78-I98 HydrophobicContact CD1-CG2 3.76Å; F78-I98 HydrophobicContact CE1-CB 4.05Å; F78-I98 HydrophobicContact CE1-CD1 4.03Å; F78-I98 HydrophobicContact CE1-CG2 3.6Å; F78-I98 HydrophobicContact CE2-CD1 4.09Å; F78-I98 HydrophobicContact CZ-CB 4.49Å; F78-I98 HydrophobicContact CZ-CD1 3.79Å; F78-I98 HydrophobicContact CZ-CG2 4.42Å; T94-I98 HydrophobicContact CG2-CD1 4.19Å; T94-I98 WeakPolarHBondContact O-CG1 3.48Å; T94-I98 PolarHBondContact O-N 2.86Å; L95-I98 PolarHBondContact O-N 3.31Å; I98-S101 PolarHBondContact O-N 2.95Å; I98-Y102 PolarHBondContact O-N 2.7Å; I98-G103 PolarHBondContact O-N 2.97Å
99Q86.1Confident83.3Confident55 Ų5530.9 Ų30.926%0.25716%0.158SC..Iπ-helixtrans-62.7-46.1-177.3-70.9176.9-39.400112.3E86 L95 K96 F97 S101 G103 Y104E86-Q99 PolarHBondContact OE1-NE2 3.3Å; L95-Q99 VanDerWaalsContact CD1-CD 3.48Å; L95-Q99 HydrophobicContact CD1-CG 3.97Å; L95-Q99 WeakPolarHBondContact O-CB 3.25Å; L95-Q99 WeakPolarHBondContact O-CG 3.33Å; L95-Q99 PolarHBondContact O-N 3.07Å; K96-Q99 PolarHBondContact O-N 3.49Å; F97-Q99 PolarHBondContact O-N 3.26Å; Q99-S101 VanDerWaalsContact C-N 3.32Å; Q99-S101 PolarHBondContact O-N 3.37Å; Q99-G103 CarbonylContact O-C 3.34Å; Q99-G103 WeakPolarHBondContact O-CA 3.38Å; Q99-Y104 PolarHBondContact O-N 3.36Å
100E85.4Confident83.5Confident60 Ų6033.7 Ų33.728%0.2817%0.168SC..Iπ-helixtrans-79.3-11.9-176.2-64.2-176.1-174.600113.9K96 G203 R206K96-E100 VanDerWaalsContact O-CB 3.23Å; K96-E100 WeakPolarHBondContact O-CB 3.31Å; K96-E100 VanDerWaalsContact O-CG 3.26Å; K96-E100 WeakPolarHBondContact O-CG 3.46Å; K96-E100 PolarHBondContact O-N 3.11Å; E100-G203 WeakPolarHBondContact OE2-CA 3.46Å; E100-R206 IonicContact OE1-NH2 3.63Å; E100-R206 IonicContact OE2-CZ 3.82Å; E100-R206 IonicContact OE2-NE 2.8Å; E100-R206 PolarHBondContact OE2-NE 3.42Å; E100-R206 IonicContact OE2-NH2 3.4Å; E100-R206 PolarHBondContact OE2-NH2 2.96Å
101S84.7Confident84.1Confident0 Ų033.2 Ų33.20%017%0.169CC..Iπ-helixtrans-112.7-76.5178.165.70000111.6F97 I98 Q99 Y104 L105F97-S101 WeakPolarHBondContact CZ-OG 3.03Å; F97-S101 VanDerWaalsContact O-CB 3.29Å; F97-S101 WeakPolarHBondContact O-CB 3.38Å; F97-S101 PolarHBondContact O-N 2.97Å; F97-S101 PolarHBondContact O-OG 3.47Å; I98-S101 PolarHBondContact O-N 2.95Å; Q99-S101 VanDerWaalsContact C-N 3.32Å; Q99-S101 PolarHBondContact O-N 3.37Å; S101-Y104 WeakPolarHBondContact O-CB 3.03Å; S101-L105 WeakPolarHBondContact O-CG 3.26Å; S101-L105 PolarHBondContact O-N 3.34Å; S101-L105 VanDerWaalsContact O-N 3.07Å
102Y84.7Confident84.7Confident0 Ų029.9 Ų29.90%016%0.155CC..Iπ-helixtrans-73.6-38-176.9-65.8-68.7000113F7 I40 L71 I75 F97 I98 L105 C106 F200F7-Y102 AromaticContact CD1-CE1 3.79Å; F7-Y102 HydrophobicContact CD1-CE1 3.79Å; F7-Y102 HydrophobicContact CE1-CE1 4.07Å; F7-Y102 PolarHBondContact O-OH 3.22Å; I40-Y102 HydrophobicContact CD1-CD2 3.98Å; I40-Y102 HydrophobicContact CD1-CE1 4.48Å; I40-Y102 HydrophobicContact CD1-CE2 3.44Å; I40-Y102 VanDerWaalsContact CD1-CE2 3.44Å; I40-Y102 HydrophobicContact CG1-CE1 4.41Å; I40-Y102 HydrophobicContact CG1-CE2 4.2Å; L71-Y102 HydrophobicContact CD2-CD1 3.47Å; L71-Y102 VanDerWaalsContact CD2-CD1 3.47Å; L71-Y102 HydrophobicContact CD2-CE1 3.8Å; L71-Y102 HydrophobicContact CD2-CG 4.38Å; I75-Y102 VanDerWaalsContact CD1-CB 3.48Å; I75-Y102 HydrophobicContact CD1-CG 4.32Å; F97-Y102 HydrophobicContact CE1-CD2 4.04Å; F97-Y102 AromaticContact CE1-CE2 3.74Å; F97-Y102 HydrophobicContact CE1-CE2 3.74Å; F97-Y102 HydrophobicContact CZ-CD2 4.35Å; F97-Y102 AromaticContact CZ-CE2 3.92Å; F97-Y102 HydrophobicContact CZ-CE2 3.92Å; I98-Y102 PolarHBondContact O-N 2.7Å; Y102-L105 PolarHBondContact O-N 3.18Å; Y102-C106 VanDerWaalsContact O-CB 3.25Å; Y102-C106 WeakPolarHBondContact O-CB 3.49Å; Y102-C106 PolarHBondContact O-N 3Å; Y102-C106 PolarHBondContact O-SG 2.99Å; Y102-F200 AromaticContact CD1-CE2 3.95Å; Y102-F200 HydrophobicContact CD1-CE2 3.95Å; Y102-F200 HydrophobicContact CD1-CZ 4.4Å; Y102-F200 AromaticContact CE1-CE2 3.9Å; Y102-F200 HydrophobicContact CE1-CE2 3.9Å; Y102-F200 AromaticContact CE1-CZ 3.88Å; Y102-F200 HydrophobicContact CE1-CZ 3.88Å; Y102-F200 HydrophobicContact CG-CE2 4.38Å; Y102-F200 AromaticContact CZ-CZ 3.95Å
103G88.1Confident85.1Confident2 Ų230.4 Ų30.42%0.02116%0.157CC..Iπ-helixtrans-57.9-49.3172.600000111I98 Q99 L105 C106 T107I98-G103 PolarHBondContact O-N 2.97Å; Q99-G103 CarbonylContact O-C 3.34Å; Q99-G103 WeakPolarHBondContact O-CA 3.38Å; G103-L105 PolarHBondContact O-N 2.05Å; G103-C106 PolarHBondContact O-N 3.42Å; G103-T107 WeakPolarHBondContact O-CB 3.37Å; G103-T107 WeakPolarHBondContact O-CG2 3.47Å; G103-T107 PolarHBondContact O-N 3.35Å; G103-T107 PolarHBondContact O-OG1 2.87Å
104Y87.9Confident85.6Confident17 Ų1730.8 Ų30.87%0.06716%0.159CC..Hα-helixtrans-53.8-51.2172.6168.7-113000113.1Q99 S101 C106 T107 E108 E109 L196 K199Q99-Y104 PolarHBondContact O-N 3.36Å; S101-Y104 WeakPolarHBondContact O-CB 3.03Å; Y104-C106 VanDerWaalsContact C-N 3.31Å; Y104-C106 PolarHBondContact O-N 3.38Å; Y104-T107 PolarHBondContact O-N 3.3Å; Y104-T107 PolarHBondContact O-OG1 3.05Å; Y104-E108 HydrophobicContact CD2-CB 3.89Å; Y104-E108 HydrophobicContact CD2-CG 4.28Å; Y104-E108 HydrophobicContact CE2-CB 3.82Å; Y104-E108 HydrophobicContact CE2-CG 4.49Å; Y104-E108 VanDerWaalsContact CE2-OE2 3.31Å; Y104-E108 WeakPolarHBondContact CE2-OE2 3.48Å; Y104-E108 PolarHBondContact O-N 2.94Å; Y104-E108 VanDerWaalsContact O-N 3.08Å; Y104-E109 HydrophobicContact CD1-CG 4.46Å; Y104-E109 HydrophobicContact CD2-CG 4.27Å; Y104-E109 HydrophobicContact CE1-CB 4.42Å; Y104-E109 HydrophobicContact CE1-CG 3.65Å; Y104-E109 HydrophobicContact CE2-CG 3.38Å; Y104-E109 PolarHBondContact O-N 3.05Å; Y104-E109 VanDerWaalsContact OH-CD 3.29Å; Y104-E109 WeakPolarHBondContact OH-CG 3.5Å; Y104-E109 PolarHBondContact OH-OE1 2.89Å; Y104-L196 HydrophobicContact CE1-CD1 4.12Å; Y104-K199 HydrophobicContact CD1-CG 4.36Å; Y104-K199 HydrophobicContact CE1-CB 3.98Å; Y104-K199 HydrophobicContact CE1-CD 4.08Å; Y104-K199 HydrophobicContact CE1-CG 3.66Å; Y104-K199 HydrophobicContact CE2-CD 4Å; Y104-K199 HydrophobicContact CE2-CG 4.36Å; Y104-K199 VanDerWaalsContact CZ-CD 3.47Å; Y104-K199 VanDerWaalsContact CZ-NZ 3.3Å; Y104-K199 WeakPolarHBondContact OH-CD 3.15Å; Y104-K199 VanDerWaalsContact OH-CE 3.25Å; Y104-K199 WeakPolarHBondContact OH-CE 3.39Å; Y104-K199 PolarHBondContact OH-NZ 3.46Å
105L86.7Confident86.1Confident2 Ų234.6 Ų34.61%0.0119%0.186CC..Hα-helixtrans-63-36.4177.7-71.9-176.1000112.9F68 S101 Y102 G103 T107 E109 Y110 F113 L196 F200F68-L105 HydrophobicContact CE2-CB 4.33Å; F68-L105 HydrophobicContact CZ-CB 4.16Å; S101-L105 WeakPolarHBondContact O-CG 3.26Å; S101-L105 PolarHBondContact O-N 3.34Å; S101-L105 VanDerWaalsContact O-N 3.07Å; Y102-L105 PolarHBondContact O-N 3.18Å; G103-L105 PolarHBondContact O-N 2.05Å; L105-T107 VanDerWaalsContact C-N 3.31Å; L105-E109 HydrophobicContact CD2-CB 4.4Å; L105-E109 CarbonylContact O-C 3.6Å; L105-Y110 WeakPolarHBondContact O-CA 3.19Å; L105-Y110 PolarHBondContact O-N 3.29Å; L105-F113 HydrophobicContact CD1-CD2 4.08Å; L105-F113 HydrophobicContact CD1-CE2 4.16Å; L105-F113 HydrophobicContact CD2-CB 4.28Å; L105-F113 HydrophobicContact CD2-CD2 3.87Å; L105-F113 HydrophobicContact CD2-CG 4.26Å; L105-L196 HydrophobicContact CD2-CD1 3.71Å; L105-L196 HydrophobicContact CD2-CG 4.3Å; L105-F200 HydrophobicContact CD1-CD2 3.29Å; L105-F200 HydrophobicContact CD1-CE2 3.52Å; L105-F200 HydrophobicContact CD1-CG 4.09Å; L105-F200 HydrophobicContact CD1-CZ 4.48Å; L105-F200 HydrophobicContact CD2-CD2 4.4Å; L105-F200 HydrophobicContact CG-CD2 3.67Å; L105-F200 HydrophobicContact CG-CE2 4.26Å; L105-F200 HydrophobicContact CG-CG 4.49Å
106C89.8Confident86.3Confident2 Ų236.9 Ų36.91%0.01420%0.195CC..Hα-helixtrans-83.9-5.1-176.7-69.20000114.1C72 I75 W76 Y102 G103 Y104C72-C106 WeakPolarHBondContact CA-SG 3.06Å; C72-C106 HydrophobicContact CB-CB 3.61Å; C72-C106 WeakPolarHBondContact CB-SG 3.33Å; C72-C106 WeakPolarHBondContact SG-CA 3.23Å; C72-C106 WeakPolarHBondContact SG-CB 3.17Å; C72-C106 CovalentContact SG-SG 2.05Å; C72-C106 PolarHBondContact SG-SG 3.34Å; I75-C106 HydrophobicContact CG2-CB 4.33Å; W76-C106 WeakPolarHBondContact CZ2-O 2.86Å; Y102-C106 VanDerWaalsContact O-CB 3.25Å; Y102-C106 WeakPolarHBondContact O-CB 3.49Å; Y102-C106 PolarHBondContact O-N 3Å; Y102-C106 PolarHBondContact O-SG 2.99Å; G103-C106 PolarHBondContact O-N 3.42Å; Y104-C106 VanDerWaalsContact C-N 3.31Å; Y104-C106 PolarHBondContact O-N 3.38Å
107T88.5Confident86.2Confident76 Ų7634.9 Ų34.947%0.46619%0.187SC..Hα-helixtrans-120.4-74.4-178.954.80000111.3G103 Y104 L105G103-T107 WeakPolarHBondContact O-CB 3.37Å; G103-T107 WeakPolarHBondContact O-CG2 3.47Å; G103-T107 PolarHBondContact O-N 3.35Å; G103-T107 PolarHBondContact O-OG1 2.87Å; Y104-T107 PolarHBondContact O-N 3.3Å; Y104-T107 PolarHBondContact O-OG1 3.05Å; L105-T107 VanDerWaalsContact C-N 3.31Å
108E88.3Confident86.1Confident136 Ų13636 Ų3664%0.63619%0.193SC*.THydrogen-bonded Turntrans-72.1-40.3-172.6-66.9-179.3-161.400112.3Y104 K199Y104-E108 HydrophobicContact CD2-CB 3.89Å; Y104-E108 HydrophobicContact CD2-CG 4.28Å; Y104-E108 HydrophobicContact CE2-CB 3.82Å; Y104-E108 HydrophobicContact CE2-CG 4.49Å; Y104-E108 VanDerWaalsContact CE2-OE2 3.31Å; Y104-E108 WeakPolarHBondContact CE2-OE2 3.48Å; Y104-E108 PolarHBondContact O-N 2.94Å; Y104-E108 VanDerWaalsContact O-N 3.08Å; E108-K199 IonicContact OE2-NZ 2.89Å; E108-K199 PolarHBondContact OE2-NZ 2.98Å
109E88.2Confident86.2Confident38 Ų3837.2 Ų37.218%0.17820%0.202CC..SBendtrans-11417.5-169.4-60.3-64.4160.700114Y104 L105 A111 D112 F113 L196Y104-E109 HydrophobicContact CD1-CG 4.46Å; Y104-E109 HydrophobicContact CD2-CG 4.27Å; Y104-E109 HydrophobicContact CE1-CB 4.42Å; Y104-E109 HydrophobicContact CE1-CG 3.65Å; Y104-E109 HydrophobicContact CE2-CG 3.38Å; Y104-E109 PolarHBondContact O-N 3.05Å; Y104-E109 VanDerWaalsContact OH-CD 3.29Å; Y104-E109 WeakPolarHBondContact OH-CG 3.5Å; Y104-E109 PolarHBondContact OH-OE1 2.89Å; L105-E109 HydrophobicContact CD2-CB 4.4Å; L105-E109 CarbonylContact O-C 3.6Å; E109-A111 VanDerWaalsContact C-N 3.32Å; E109-A111 PolarHBondContact O-N 2.74Å; E109-D112 PolarHBondContact O-N 2.86Å; E109-D112 WeakPolarHBondContact OE2-CB 2.8Å; E109-F113 WeakPolarHBondContact O-CB 3.04Å; E109-F113 PolarHBondContact O-N 2.94Å; E109-L196 HydrophobicContact CB-CD1 3.41Å; E109-L196 VanDerWaalsContact CB-CD1 3.41Å; E109-L196 HydrophobicContact CG-CD1 3.49Å; E109-L196 VanDerWaalsContact CG-CD1 3.49Å
110Y88.4Confident86Confident60 Ų6034.7 Ų34.724%0.23519%0.19CC..Hα-helixtrans-55.3-47.4-173.6178.9-91.1000112.4F68 Q69 C72 L105 L114F68-Y110 HydrophobicContact CD1-CD2 4.35Å; F68-Y110 AromaticContact CD1-CE2 3.91Å; F68-Y110 HydrophobicContact CD1-CE2 3.91Å; F68-Y110 AromaticContact CE1-CD2 3.52Å; F68-Y110 HydrophobicContact CE1-CD2 3.52Å; F68-Y110 AromaticContact CE1-CE2 3.55Å; F68-Y110 HydrophobicContact CE1-CE2 3.55Å; F68-Y110 HydrophobicContact CE1-CG 4.41Å; F68-Y110 HydrophobicContact CZ-CD2 4.21Å; Q69-Y110 WeakPolarHBondContact CG-OH 3.2Å; Q69-Y110 PolarHBondContact NE2-OH 3.4Å; C72-Y110 HydrophobicContact CB-CE2 4.29Å; L105-Y110 WeakPolarHBondContact O-CA 3.19Å; L105-Y110 PolarHBondContact O-N 3.29Å; Y110-L114 HydrophobicContact CD1-CD1 4.1Å; Y110-L114 HydrophobicContact CE1-CD1 3.41Å; Y110-L114 VanDerWaalsContact CE1-CD1 3.41Å; Y110-L114 HydrophobicContact CE1-CG 4.35Å; Y110-L114 HydrophobicContact CE2-CD1 4.49Å; Y110-L114 WeakPolarHBondContact O-CG 3.1Å; Y110-L114 PolarHBondContact O-N 2.75Å; Y110-L114 VanDerWaalsContact O-N 3.15Å
111A88.4Confident85.6Confident64 Ų6432 Ų3253%0.52918%0.177SC..Hα-helixtrans-69.8-39.7179.800000112.8E109 S115E109-A111 VanDerWaalsContact C-N 3.32Å; E109-A111 PolarHBondContact O-N 2.74Å; A111-S115 PolarHBondContact O-N 3.32Å; A111-S115 VanDerWaalsContact O-N 3.11Å; A111-S115 PolarHBondContact O-OG 3.14Å
112D88Confident85.2Confident32 Ų3236.8 Ų36.817%0.17120%0.195CC..Hα-helixtrans-67.3-43.6179-84.115.5000110.4E109 L114 S115 Y116 R192 L196E109-D112 PolarHBondContact O-N 2.86Å; E109-D112 WeakPolarHBondContact OE2-CB 2.8Å; D112-L114 PolarHBondContact O-N 3.4Å; D112-S115 WeakPolarHBondContact O-CB 3.39Å; D112-S115 PolarHBondContact O-N 2.84Å; D112-S115 VanDerWaalsContact O-N 3.07Å; D112-Y116 HydrophobicContact CB-CD2 4.49Å; D112-Y116 HydrophobicContact CB-CE2 4.37Å; D112-Y116 WeakPolarHBondContact O-CD2 3.34Å; D112-Y116 PolarHBondContact O-N 3.24Å; D112-R192 VanDerWaalsContact CG-NH2 3.34Å; D112-R192 IonicContact OD1-CZ 3.83Å; D112-R192 IonicContact OD1-NH2 3.2Å; D112-R192 PolarHBondContact OD1-NH2 3.03Å; D112-R192 IonicContact OD2-CZ 3.09Å; D112-R192 IonicContact OD2-NE 2.84Å; D112-R192 PolarHBondContact OD2-NE 2.93Å; D112-R192 IonicContact OD2-NH2 2.66Å; D112-R192 PolarHBondContact OD2-NH2 2.9Å; D112-L196 HydrophobicContact CB-CD2 4.43Å
113F85.8Confident85Confident15 Ų1536.9 Ų36.97%0.06620%0.196CC..Hα-helixtrans-59.4-48175.7-174.4-97.5000111.8F7 F68 L105 E109 S115 Y116 V117 L196F7-F113 HydrophobicContact CE1-CZ 4.32Å; F7-F113 HydrophobicContact CE2-CZ 4.42Å; F7-F113 HydrophobicContact CZ-CE1 4.2Å; F7-F113 AromaticContact CZ-CZ 3.59Å; F7-F113 HydrophobicContact CZ-CZ 3.59Å; F68-F113 AromaticContact CD1-CD1 3.84Å; F68-F113 HydrophobicContact CD1-CD1 3.84Å; F68-F113 HydrophobicContact CD1-CE1 4.21Å; F68-F113 AromaticContact CD2-CD1 3.74Å; F68-F113 HydrophobicContact CD2-CD1 3.74Å; F68-F113 AromaticContact CD2-CE1 3.47Å; F68-F113 HydrophobicContact CD2-CE1 3.47Å; F68-F113 VanDerWaalsContact CD2-CE1 3.47Å; F68-F113 HydrophobicContact CD2-CZ 4.48Å; F68-F113 HydrophobicContact CE1-CB 4.46Å; F68-F113 AromaticContact CE1-CD1 3.52Å; F68-F113 HydrophobicContact CE1-CD1 3.52Å; F68-F113 HydrophobicContact CE1-CE1 4.25Å; F68-F113 HydrophobicContact CE1-CG 4.35Å; F68-F113 AromaticContact CE2-CD1 3.43Å; F68-F113 HydrophobicContact CE2-CD1 3.43Å; F68-F113 VanDerWaalsContact CE2-CD1 3.43Å; F68-F113 AromaticContact CE2-CE1 3.54Å; F68-F113 HydrophobicContact CE2-CE1 3.54Å; F68-F113 HydrophobicContact CE2-CG 4.25Å; F68-F113 HydrophobicContact CE2-CZ 4.43Å; F68-F113 AromaticContact CG-CD1 3.93Å; F68-F113 HydrophobicContact CG-CD1 3.93Å; F68-F113 AromaticContact CG-CE1 3.83Å; F68-F113 HydrophobicContact CG-CE1 3.83Å; F68-F113 HydrophobicContact CZ-CB 4.24Å; F68-F113 AromaticContact CZ-CD1 3.31Å; F68-F113 HydrophobicContact CZ-CD1 3.31Å; F68-F113 AromaticContact CZ-CE1 3.93Å; F68-F113 HydrophobicContact CZ-CE1 3.93Å; F68-F113 AromaticContact CZ-CG 3.95Å; F68-F113 HydrophobicContact CZ-CG 3.95Å; L105-F113 HydrophobicContact CD1-CD2 4.08Å; L105-F113 HydrophobicContact CD1-CE2 4.16Å; L105-F113 HydrophobicContact CD2-CB 4.28Å; L105-F113 HydrophobicContact CD2-CD2 3.87Å; L105-F113 HydrophobicContact CD2-CG 4.26Å; E109-F113 WeakPolarHBondContact O-CB 3.04Å; E109-F113 PolarHBondContact O-N 2.94Å; F113-S115 PolarHBondContact O-N 3.17Å; F113-Y116 PolarHBondContact O-N 2.73Å; F113-Y116 VanDerWaalsContact O-N 3.12Å; F113-V117 HydrophobicContact CD1-CB 4.34Å; F113-V117 HydrophobicContact CE1-CB 3.92Å; F113-V117 HydrophobicContact CE1-CG2 3.72Å; F113-V117 HydrophobicContact CZ-CB 4.09Å; F113-V117 HydrophobicContact CZ-CG2 3.72Å; F113-V117 VanDerWaalsContact O-CB 3.3Å; F113-V117 WeakPolarHBondContact O-CB 3.41Å; F113-V117 PolarHBondContact O-N 2.91Å; F113-L196 HydrophobicContact CB-CD2 4.02Å; F113-L196 HydrophobicContact CD2-CD2 4.07Å
114L84.3Confident84.2Confident24 Ų2436.9 Ų36.913%0.12620%0.196CC..Hα-helixtrans-59.4-29.9175.3-75.2-177.1000113.4V65 F68 Y110 D112V65-L114 HydrophobicContact CB-CD2 4.4Å; V65-L114 HydrophobicContact CG1-CD2 4.11Å; V65-L114 HydrophobicContact CG2-CD2 4.11Å; F68-L114 HydrophobicContact CD1-CD2 3.6Å; F68-L114 HydrophobicContact CD1-CG 4.11Å; F68-L114 HydrophobicContact CE1-CD2 4.24Å; F68-L114 HydrophobicContact CE1-CG 4.27Å; F68-L114 HydrophobicContact CG-CD2 4.46Å; Y110-L114 HydrophobicContact CD1-CD1 4.1Å; Y110-L114 HydrophobicContact CE1-CD1 3.41Å; Y110-L114 VanDerWaalsContact CE1-CD1 3.41Å; Y110-L114 HydrophobicContact CE1-CG 4.35Å; Y110-L114 HydrophobicContact CE2-CD1 4.49Å; Y110-L114 WeakPolarHBondContact O-CG 3.1Å; Y110-L114 PolarHBondContact O-N 2.75Å; Y110-L114 VanDerWaalsContact O-N 3.15Å; D112-L114 PolarHBondContact O-N 3.4Å
115S86.5Confident83.4Confident87 Ų8737.8 Ų37.861%0.60820%0.202SC*.Hα-helixtrans-76.2-31.1178.2-58.20000112.5A111 D112 F113A111-S115 PolarHBondContact O-N 3.32Å; A111-S115 VanDerWaalsContact O-N 3.11Å; A111-S115 PolarHBondContact O-OG 3.14Å; D112-S115 WeakPolarHBondContact O-CB 3.39Å; D112-S115 PolarHBondContact O-N 2.84Å; D112-S115 VanDerWaalsContact O-N 3.07Å; F113-S115 PolarHBondContact O-N 3.17Å
116Y86.4Confident82.7Confident49 Ų4938.8 Ų38.819%0.19221%0.212CC..Hα-helixtrans-100.7-19.9-177-65-57.3000114.7D112 F113 D118 C119 I120 R192 A193 L196D112-Y116 HydrophobicContact CB-CD2 4.49Å; D112-Y116 HydrophobicContact CB-CE2 4.37Å; D112-Y116 WeakPolarHBondContact O-CD2 3.34Å; D112-Y116 PolarHBondContact O-N 3.24Å; F113-Y116 PolarHBondContact O-N 2.73Å; F113-Y116 VanDerWaalsContact O-N 3.12Å; Y116-D118 VanDerWaalsContact C-N 3.27Å; Y116-D118 PolarHBondContact O-N 3.31Å; Y116-D118 VanDerWaalsContact O-N 3.14Å; Y116-C119 PolarHBondContact O-N 3.16Å; Y116-I120 WeakPolarHBondContact O-CB 3.32Å; Y116-I120 WeakPolarHBondContact O-CG1 3.5Å; Y116-I120 PolarHBondContact O-N 3.04Å; Y116-R192 HydrophobicContact CE2-CB 4.39Å; Y116-R192 HydrophobicContact CE2-CG 3.97Å; Y116-R192 WeakPolarHBondContact OH-CB 3.38Å; Y116-R192 WeakPolarHBondContact OH-CD 3.46Å; Y116-A193 HydrophobicContact CD1-CB 3.59Å; Y116-A193 HydrophobicContact CD2-CB 4.16Å; Y116-A193 HydrophobicContact CE1-CB 3.99Å; Y116-A193 HydrophobicContact CG-CB 3.69Å; Y116-L196 HydrophobicContact CD2-CD2 4.05Å
117V80Confident81.7Confident7 Ų747.6 Ų47.64%0.04225%0.25CS..Hα-helixtrans-54-41.1-170.866.30000112.5F113 V121F113-V117 HydrophobicContact CD1-CB 4.34Å; F113-V117 HydrophobicContact CE1-CB 3.92Å; F113-V117 HydrophobicContact CE1-CG2 3.72Å; F113-V117 HydrophobicContact CZ-CB 4.09Å; F113-V117 HydrophobicContact CZ-CG2 3.72Å; F113-V117 VanDerWaalsContact O-CB 3.3Å; F113-V117 WeakPolarHBondContact O-CB 3.41Å; F113-V117 PolarHBondContact O-N 2.91Å; V117-V121 HydrophobicContact CG2-CG2 4.31Å; V117-V121 VanDerWaalsContact O-CB 3.28Å; V117-V121 WeakPolarHBondContact O-CB 3.26Å; V117-V121 WeakPolarHBondContact O-CG2 3.24Å; V117-V121 PolarHBondContact O-N 2.86Å
118D79.1Confident81.2Confident26 Ų2646.5 Ų46.514%0.13924%0.242CC..Hα-helixtrans-67.2-41.4179.6-16959.1000112.3Y61 K64 Y116 R122Y61-D118 HydrophobicContact CD2-CB 4.42Å; K64-D118 IonicContact NZ-OD1 2.7Å; K64-D118 PolarHBondContact NZ-OD1 3.47Å; Y116-D118 VanDerWaalsContact C-N 3.27Å; Y116-D118 PolarHBondContact O-N 3.31Å; Y116-D118 VanDerWaalsContact O-N 3.14Å; D118-R122 VanDerWaalsContact O-CG 3.3Å; D118-R122 WeakPolarHBondContact O-CG 3.29Å; D118-R122 PolarHBondContact O-N 3.41Å; D118-R122 VanDerWaalsContact O-N 3.11Å; D118-R122 IonicContact OD2-CZ 3.59Å; D118-R122 IonicContact OD2-NE 3.82Å; D118-R122 PolarHBondContact OD2-NE 2.85Å; D118-R122 IonicContact OD2-NH2 2.69Å; D118-R122 PolarHBondContact OD2-NH2 3.36Å
119C85Confident80.8Confident29 Ų2945.8 Ų45.820%0.19624%0.242CC..Hα-helixtrans-66.8-47177.4-176.70000111.6Y116 V121 R122 V123 M188 C189Y116-C119 PolarHBondContact O-N 3.16Å; C119-V121 VanDerWaalsContact C-N 3.27Å; C119-V121 PolarHBondContact O-N 3.47Å; C119-R122 WeakPolarHBondContact O-CA 3.35Å; C119-R122 WeakPolarHBondContact O-CB 3.3Å; C119-R122 PolarHBondContact O-N 3.39Å; C119-V123 PolarHBondContact O-N 3Å; C119-M188 VanDerWaalsContact SG-C 3.58Å; C119-M188 PolarHBondContact SG-O 2.89Å; C119-C189 HydrophobicContact CB-CB 3.92Å; C119-C189 WeakPolarHBondContact CB-SG 3.47Å; C119-C189 WeakPolarHBondContact SG-CA 3.08Å; C119-C189 WeakPolarHBondContact SG-CB 3.33Å; C119-C189 CovalentContact SG-SG 2.04Å; C119-C189 PolarHBondContact SG-SG 3.46Å
120I82.6Confident80.5Confident3 Ų346.8 Ų46.82%0.01525%0.252CS..Hα-helixtrans-56.1-46.3178.9-71.7170.6000110L6 Y116 R122 V123 E124 V197L6-I120 HydrophobicContact CD1-CB 4.47Å; L6-I120 HydrophobicContact CD1-CG2 2.97Å; L6-I120 HydrophobicContact CG-CG2 4.42Å; Y116-I120 WeakPolarHBondContact O-CB 3.32Å; Y116-I120 WeakPolarHBondContact O-CG1 3.5Å; Y116-I120 PolarHBondContact O-N 3.04Å; I120-R122 VanDerWaalsContact C-N 3.31Å; I120-R122 PolarHBondContact O-N 3.38Å; I120-V123 WeakPolarHBondContact O-CB 3.22Å; I120-V123 PolarHBondContact O-N 3.44Å; I120-V123 VanDerWaalsContact O-N 3.1Å; I120-E124 WeakPolarHBondContact O-CG 3.45Å; I120-E124 PolarHBondContact O-N 3.04Å; I120-E124 VanDerWaalsContact O-N 3.08Å; I120-V197 HydrophobicContact CD1-CG2 3.77Å; I120-V197 HydrophobicContact CG1-CG2 4.4Å
121V75.3Confident79.7Confident2 Ų244 Ų441%0.01224%0.242CC..Hα-helixtrans-61.9-36176.4164.70000112.9F49 V117 C119 V123 E124 N125F49-V121 HydrophobicContact CD1-CB 4.28Å; F49-V121 HydrophobicContact CD1-CG1 3.39Å; F49-V121 HydrophobicContact CD1-CG2 3.86Å; F49-V121 HydrophobicContact CE1-CB 4.26Å; F49-V121 HydrophobicContact CE1-CG1 3.81Å; F49-V121 HydrophobicContact CE1-CG2 3.39Å; F49-V121 HydrophobicContact CZ-CG2 4.39Å; V117-V121 HydrophobicContact CG2-CG2 4.31Å; V117-V121 VanDerWaalsContact O-CB 3.28Å; V117-V121 WeakPolarHBondContact O-CB 3.26Å; V117-V121 WeakPolarHBondContact O-CG2 3.24Å; V117-V121 PolarHBondContact O-N 2.86Å; C119-V121 VanDerWaalsContact C-N 3.27Å; C119-V121 PolarHBondContact O-N 3.47Å; V121-V123 VanDerWaalsContact C-N 3.32Å; V121-E124 PolarHBondContact O-N 2.86Å; V121-N125 WeakPolarHBondContact CG1-ND2 3.47Å; V121-N125 WeakPolarHBondContact O-CB 3.23Å; V121-N125 PolarHBondContact O-N 2.89Å; V121-N125 PolarHBondContact O-ND2 3.49Å
122R78.1Confident79Confident101 Ų10144.4 Ų44.438%0.38123%0.232SC..Hα-helixtrans-66.4-35.7174.8-70.3169.7-167.5-150.8-1.9111.8D118 C119 I120 G126 M188D118-R122 VanDerWaalsContact O-CG 3.3Å; D118-R122 WeakPolarHBondContact O-CG 3.29Å; D118-R122 PolarHBondContact O-N 3.41Å; D118-R122 VanDerWaalsContact O-N 3.11Å; D118-R122 IonicContact OD2-CZ 3.59Å; D118-R122 IonicContact OD2-NE 3.82Å; D118-R122 PolarHBondContact OD2-NE 2.85Å; D118-R122 IonicContact OD2-NH2 2.69Å; D118-R122 PolarHBondContact OD2-NH2 3.36Å; C119-R122 WeakPolarHBondContact O-CA 3.35Å; C119-R122 WeakPolarHBondContact O-CB 3.3Å; C119-R122 PolarHBondContact O-N 3.39Å; I120-R122 VanDerWaalsContact C-N 3.31Å; I120-R122 PolarHBondContact O-N 3.38Å; R122-G126 WeakPolarHBondContact O-CA 3.47Å; R122-G126 PolarHBondContact O-N 2.85Å; R122-M188 HydrophobicContact CB-CE 4.3Å
123V79.6Confident78.3Confident3 Ų349 Ų492%0.01825%0.25CS..Hα-helixtrans-62.9-47.4173.8173.40000110.2C119 I120 V121 N125 G126 L181 I185 M188C119-V123 PolarHBondContact O-N 3Å; I120-V123 WeakPolarHBondContact O-CB 3.22Å; I120-V123 PolarHBondContact O-N 3.44Å; I120-V123 VanDerWaalsContact O-N 3.1Å; V121-V123 VanDerWaalsContact C-N 3.32Å; V123-N125 VanDerWaalsContact C-N 3.32Å; V123-N125 PolarHBondContact O-N 3.42Å; V123-G126 WeakPolarHBondContact O-CA 3.49Å; V123-G126 PolarHBondContact O-N 2.57Å; V123-L181 HydrophobicContact CG1-CD2 4.18Å; V123-I185 HydrophobicContact CB-CG1 4.3Å; V123-I185 HydrophobicContact CG1-CG1 3.91Å; V123-I185 HydrophobicContact CG2-CG1 4.31Å; V123-M188 HydrophobicContact CG2-CB 3.83Å; V123-M188 HydrophobicContact CG2-CE 4.02Å; V123-M188 HydrophobicContact CG2-CG 4.24Å; V123-M188 HydrophobicContact CG2-SD 3.7Å
124E71.7Confident77.5Confident1 Ų148.7 Ų48.71%0.00525%0.25CS..Hα-helixtrans-62.8-37.3-179.6-63.2-162.8117.300114.1S4 K5 L6 I120 V121 G126 L181S4-E124 WeakPolarHBondContact CA-OE2 3.36Å; S4-E124 WeakPolarHBondContact CB-OE2 3.27Å; S4-E124 PolarHBondContact OG-OE2 3.1Å; K5-E124 VanDerWaalsContact C-OE1 3.3Å; K5-E124 VanDerWaalsContact CA-OE1 3.31Å; K5-E124 WeakPolarHBondContact CA-OE1 2.99Å; K5-E124 VanDerWaalsContact CB-OE1 3.27Å; K5-E124 WeakPolarHBondContact CB-OE1 3.47Å; K5-E124 HydrophobicContact CD-CB 4.47Å; K5-E124 VanDerWaalsContact N-CD 3.34Å; K5-E124 PolarHBondContact N-OE1 2.83Å; K5-E124 PolarHBondContact N-OE2 3Å; L6-E124 WeakPolarHBondContact CB-OE1 3.09Å; L6-E124 HydrophobicContact CD1-CG 3.94Å; L6-E124 VanDerWaalsContact CD1-OE1 3.28Å; L6-E124 WeakPolarHBondContact CD1-OE1 3.38Å; L6-E124 HydrophobicContact CG-CG 4.44Å; L6-E124 WeakPolarHBondContact CG-OE1 3.4Å; L6-E124 PolarHBondContact N-OE1 2.79Å; I120-E124 WeakPolarHBondContact O-CG 3.45Å; I120-E124 PolarHBondContact O-N 3.04Å; I120-E124 VanDerWaalsContact O-N 3.08Å; V121-E124 PolarHBondContact O-N 2.86Å; E124-G126 VanDerWaalsContact C-N 3.27Å; E124-L181 HydrophobicContact CG-CD2 4.39Å
125N71.5Confident76.6Confident37 Ų3747.6 Ų47.620%0.19824%0.244CC..THydrogen-bonded Turntrans-880.9176.3-68.3-54.8000112.7S2 V121 V123S2-N125 WeakPolarHBondContact CB-OD1 3.37Å; S2-N125 PolarHBondContact OG-OD1 2.95Å; V121-N125 WeakPolarHBondContact CG1-ND2 3.47Å; V121-N125 WeakPolarHBondContact O-CB 3.23Å; V121-N125 PolarHBondContact O-N 2.89Å; V121-N125 PolarHBondContact O-ND2 3.49Å; V123-N125 VanDerWaalsContact C-N 3.32Å; V123-N125 PolarHBondContact O-N 3.42Å
126G72Confident75.7Confident22 Ų2251 Ų5123%0.22724%0.244CC..SBendtrans-64.2177.4178.900000112.4R122 V123 E124 D128 K132R122-G126 WeakPolarHBondContact O-CA 3.47Å; R122-G126 PolarHBondContact O-N 2.85Å; V123-G126 WeakPolarHBondContact O-CA 3.49Å; V123-G126 PolarHBondContact O-N 2.57Å; E124-G126 VanDerWaalsContact C-N 3.27Å; G126-D128 VanDerWaalsContact C-N 3.25Å; G126-D128 PolarHBondContact O-N 3.27Å; G126-K132 WeakPolarHBondContact O-CE 3.31Å
127K68.5Low74.8Confident188 Ų18851.9 Ų51.982%0.81725%0.25SC*.SBendtrans-83.10.4-179.3-66.2-173.9-178.51800113.8D129 K132K127-D129 PolarHBondContact O-N 3.47Å; K127-K132 PolarHBondContact O-NZ 3.3Å
128D77.7Confident73.9Confident53 Ų5352 Ų5228%0.28325%0.251SS..  trans-61.9113.8-178.4-169.9-43.1000111.5G126 C130 V131 K132 S184G126-D128 VanDerWaalsContact C-N 3.25Å; G126-D128 PolarHBondContact O-N 3.27Å; D128-C130 VanDerWaalsContact C-N 3.3Å; D128-C130 PolarHBondContact O-N 3.49Å; D128-C130 WeakPolarHBondContact OD1-CA 3.44Å; D128-C130 WeakPolarHBondContact OD1-CB 3.36Å; D128-C130 PolarHBondContact OD1-N 2.86Å; D128-V131 HydrophobicContact CB-CB 4.15Å; D128-V131 HydrophobicContact CB-CG2 3.94Å; D128-V131 PolarHBondContact O-N 3.12Å; D128-V131 PolarHBondContact OD1-N 3.41Å; D128-K132 WeakPolarHBondContact O-CG 3.21Å; D128-K132 PolarHBondContact O-N 2.95Å; D128-S184 PolarHBondContact OD2-OG 3.48Å
129D80.5Confident73.1Confident120 Ų12052.5 Ų52.564%0.64225%0.253SS*.Hα-helixtrans-69.5-27-177.4-70.6-28.5000112.7K127 K132 K133K127-D129 PolarHBondContact O-N 3.47Å; D129-K132 IonicContact OD1-NZ 3.14Å; D129-K133 WeakPolarHBondContact O-CB 3.44Å; D129-K133 PolarHBondContact O-N 3.38Å
130C81Confident72Confident59 Ų5953.2 Ų53.240%0.39926%0.257SS..Hα-helixtrans-64-51.9174-160.90000109.5D128 K132 K133 A134 C180D128-C130 VanDerWaalsContact C-N 3.3Å; D128-C130 PolarHBondContact O-N 3.49Å; D128-C130 WeakPolarHBondContact OD1-CA 3.44Å; D128-C130 WeakPolarHBondContact OD1-CB 3.36Å; D128-C130 PolarHBondContact OD1-N 2.86Å; C130-K132 VanDerWaalsContact C-N 3.35Å; C130-K132 PolarHBondContact O-N 3.31Å; C130-K133 PolarHBondContact O-N 2.83Å; C130-A134 WeakPolarHBondContact O-CB 3.35Å; C130-A134 PolarHBondContact O-N 2.84Å; C130-C180 HydrophobicContact CB-CB 3.68Å; C130-C180 WeakPolarHBondContact CB-SG 3.32Å; C130-C180 PolarHBondContact O-SG 3.2Å; C130-C180 VanDerWaalsContact O-SG 3.32Å; C130-C180 VanDerWaalsContact SG-CA 3.54Å; C130-C180 WeakPolarHBondContact SG-CB 3.32Å; C130-C180 CovalentContact SG-SG 2.04Å; C130-C180 PolarHBondContact SG-SG 3.02Å
131V71.7Confident70.8Confident1 Ų153.8 Ų53.81%0.00626%0.259CS..Hα-helixtrans-61.6-44179.8178.50000110.9D128 T135 C180 L181D128-V131 HydrophobicContact CB-CB 4.15Å; D128-V131 HydrophobicContact CB-CG2 3.94Å; D128-V131 PolarHBondContact O-N 3.12Å; D128-V131 PolarHBondContact OD1-N 3.41Å; V131-T135 VanDerWaalsContact O-CB 3.31Å; V131-T135 WeakPolarHBondContact O-CB 3.41Å; V131-T135 PolarHBondContact O-N 2.88Å; V131-T135 PolarHBondContact O-OG1 2.9Å; V131-C180 HydrophobicContact CG2-CB 4.14Å; V131-C180 WeakPolarHBondContact CG2-O 3.48Å; V131-L181 HydrophobicContact CB-CD2 4.49Å; V131-L181 HydrophobicContact CG1-CD2 3.71Å; V131-L181 HydrophobicContact CG2-CD2 3.93Å
132K73.4Confident70Confident74 Ų7455.3 Ų55.332%0.32226%0.264SS..Hα-helixtrans-61.3-45.6176.1-73.5173.1-175.2167.30112.5G126 K127 D128 D129 C130 R136G126-K132 WeakPolarHBondContact O-CE 3.31Å; K127-K132 PolarHBondContact O-NZ 3.3Å; D128-K132 WeakPolarHBondContact O-CG 3.21Å; D128-K132 PolarHBondContact O-N 2.95Å; D129-K132 IonicContact OD1-NZ 3.14Å; C130-K132 VanDerWaalsContact C-N 3.35Å; C130-K132 PolarHBondContact O-N 3.31Å; K132-R136 WeakPolarHBondContact O-CB 3.46Å; K132-R136 PolarHBondContact O-N 3.19Å
133K73.1Confident69Low128 Ų12854.6 Ų54.656%0.55727%0.268SS*.Hα-helixtrans-65-54.4-179.9179.4-178.5170.5-176.20111.1D129 C130 T135 R136 E137D129-K133 WeakPolarHBondContact O-CB 3.44Å; D129-K133 PolarHBondContact O-N 3.38Å; C130-K133 PolarHBondContact O-N 2.83Å; K133-T135 PolarHBondContact O-N 3.03Å; K133-R136 WeakPolarHBondContact O-CB 3.35Å; K133-R136 PolarHBondContact O-N 3.38Å; K133-E137 WeakPolarHBondContact CE-OE1 3.38Å; K133-E137 IonicContact NZ-OE1 2.94Å; K133-E137 WeakPolarHBondContact O-CG 3.26Å; K133-E137 PolarHBondContact O-N 2.97Å
134A69.4Low67.7Low8 Ų855.3 Ų55.37%0.06628%0.276CS..Hα-helixtrans-58.3-36.3-179.800000111.6C130 T138 F177 C180C130-A134 WeakPolarHBondContact O-CB 3.35Å; C130-A134 PolarHBondContact O-N 2.84Å; A134-T138 PolarHBondContact O-N 3Å; A134-T138 VanDerWaalsContact O-N 3.12Å; A134-T138 PolarHBondContact O-OG1 3.29Å; A134-F177 HydrophobicContact CB-CB 4.21Å; A134-F177 HydrophobicContact CB-CD2 4.05Å; A134-C180 HydrophobicContact CB-CB 4.44Å
135T66.6Low66.6Low1 Ų156.6 Ų56.61%0.00628%0.284CS..Hα-helixtrans-65.6-49.3171.9-56.50000112.8K5 V131 K133 E137 T138 I139K5-T135 HydrophobicContact CB-CG2 3.62Å; K5-T135 HydrophobicContact CD-CG2 3.33Å; K5-T135 WeakPolarHBondContact CD-OG1 3.07Å; K5-T135 HydrophobicContact CG-CG2 3.52Å; V131-T135 VanDerWaalsContact O-CB 3.31Å; V131-T135 WeakPolarHBondContact O-CB 3.41Å; V131-T135 PolarHBondContact O-N 2.88Å; V131-T135 PolarHBondContact O-OG1 2.9Å; K133-T135 PolarHBondContact O-N 3.03Å; T135-E137 PolarHBondContact O-N 2.99Å; T135-T138 WeakPolarHBondContact O-CA 3.21Å; T135-T138 WeakPolarHBondContact O-CB 3.31Å; T135-T138 PolarHBondContact O-N 2.78Å; T135-I139 HydrophobicContact CG2-CD1 3.56Å; T135-I139 HydrophobicContact CG2-CG1 3.92Å; T135-I139 WeakPolarHBondContact O-CG1 3.36Å; T135-I139 PolarHBondContact O-N 3Å
136R67.4Low65.2Low158 Ų15859.5 Ų59.560%0.59630%0.299SS*.Hα-helixtrans-55.8-44.9-178.1-174.1-173.3-59.1168.12.1110K132 K133 T138 I139 T140K132-R136 WeakPolarHBondContact O-CB 3.46Å; K132-R136 PolarHBondContact O-N 3.19Å; K133-R136 WeakPolarHBondContact O-CB 3.35Å; K133-R136 PolarHBondContact O-N 3.38Å; R136-T138 VanDerWaalsContact C-N 3.31Å; R136-T138 PolarHBondContact O-N 3.36Å; R136-I139 PolarHBondContact O-N 2.88Å; R136-T140 VanDerWaalsContact O-CB 3.31Å; R136-T140 WeakPolarHBondContact O-CB 3.09Å; R136-T140 PolarHBondContact O-N 3.48Å; R136-T140 PolarHBondContact O-OG1 2.8Å
137E66.6Low63.7Low69 Ų6960.1 Ų60.132%0.32230%0.3SS..Hα-helixtrans-58.3-42.7175.9-68.8173.3173.900111.9K133 T135 Y141 L173K133-E137 WeakPolarHBondContact CE-OE1 3.38Å; K133-E137 IonicContact NZ-OE1 2.94Å; K133-E137 WeakPolarHBondContact O-CG 3.26Å; K133-E137 PolarHBondContact O-N 2.97Å; T135-E137 PolarHBondContact O-N 2.99Å; E137-Y141 WeakPolarHBondContact O-CB 3.29Å; E137-Y141 PolarHBondContact O-N 3.32Å; E137-L173 HydrophobicContact CB-CD2 3.96Å
138T61.4Low62.4Low9 Ų960.2 Ų60.26%0.05530%0.303CS..Hα-helixtrans-64.6-45.4176.8-59.10000112.8F8 I9 A134 T135 R136 Y141 R142F8-T138 HydrophobicContact CB-CG2 4.35Å; I9-T138 HydrophobicContact CD1-CG2 4.3Å; I9-T138 HydrophobicContact CG1-CG2 3.48Å; I9-T138 VanDerWaalsContact CG1-CG2 3.48Å; A134-T138 PolarHBondContact O-N 3Å; A134-T138 VanDerWaalsContact O-N 3.12Å; A134-T138 PolarHBondContact O-OG1 3.29Å; T135-T138 WeakPolarHBondContact O-CA 3.21Å; T135-T138 WeakPolarHBondContact O-CB 3.31Å; T135-T138 PolarHBondContact O-N 2.78Å; R136-T138 VanDerWaalsContact C-N 3.31Å; R136-T138 PolarHBondContact O-N 3.36Å; T138-Y141 WeakPolarHBondContact O-CB 3.5Å; T138-Y141 PolarHBondContact O-N 3.38Å; T138-R142 PolarHBondContact O-N 2.67Å; T138-R142 VanDerWaalsContact O-N 3.12Å
139I62.7Low60.8Low36 Ų3660.2 Ų60.219%0.18531%0.308CS..Hα-helixtrans-66.8-45.9178.7-66.2175000110.2F8 T135 R136 Y141 R142 N143F8-I139 HydrophobicContact CD1-CG1 4.01Å; F8-I139 HydrophobicContact CE1-CD1 4.29Å; F8-I139 HydrophobicContact CE1-CG1 3.91Å; F8-I139 HydrophobicContact CE2-CD1 4.49Å; F8-I139 HydrophobicContact CG-CG1 4.43Å; F8-I139 HydrophobicContact CZ-CD1 4.11Å; F8-I139 HydrophobicContact CZ-CG1 4.22Å; T135-I139 HydrophobicContact CG2-CD1 3.56Å; T135-I139 HydrophobicContact CG2-CG1 3.92Å; T135-I139 WeakPolarHBondContact O-CG1 3.36Å; T135-I139 PolarHBondContact O-N 3Å; R136-I139 PolarHBondContact O-N 2.88Å; I139-Y141 PolarHBondContact O-N 3.19Å; I139-R142 PolarHBondContact O-N 2.81Å; I139-R142 VanDerWaalsContact O-N 3.17Å; I139-N143 WeakPolarHBondContact O-CB 3.37Å; I139-N143 PolarHBondContact O-N 3.41Å
140T61.4Low59.1Low45 Ų4559 Ų5928%0.27631%0.309SS..Hα-helixtrans-57.9-40.2176.6-64.30000110.6R136 N143 G144R136-T140 VanDerWaalsContact O-CB 3.31Å; R136-T140 WeakPolarHBondContact O-CB 3.09Å; R136-T140 PolarHBondContact O-N 3.48Å; R136-T140 PolarHBondContact O-OG1 2.8Å; T140-N143 PolarHBondContact O-N 2.97Å; T140-G144 PolarHBondContact O-N 3.34Å
141Y58.3Low57.5Low15 Ų1561.4 Ų61.46%0.05932%0.318CS..Hα-helixtrans-61.3-49175.2-175-87.1000112.2V12 E137 T138 I139 N143 G144 T145 L159 L166 M169 L170 L173V12-Y141 HydrophobicContact CG1-CD1 3.93Å; V12-Y141 HydrophobicContact CG1-CE1 3.63Å; E137-Y141 WeakPolarHBondContact O-CB 3.29Å; E137-Y141 PolarHBondContact O-N 3.32Å; T138-Y141 WeakPolarHBondContact O-CB 3.5Å; T138-Y141 PolarHBondContact O-N 3.38Å; I139-Y141 PolarHBondContact O-N 3.19Å; Y141-N143 VanDerWaalsContact C-N 3.35Å; Y141-N143 PolarHBondContact O-N 3.47Å; Y141-G144 PolarHBondContact O-N 3.4Å; Y141-T145 HydrophobicContact CD1-CG2 4.24Å; Y141-T145 HydrophobicContact CE1-CG2 3.91Å; Y141-T145 WeakPolarHBondContact O-CG2 3.28Å; Y141-T145 PolarHBondContact O-N 3.36Å; Y141-T145 PolarHBondContact O-OG1 2.79Å; Y141-L159 HydrophobicContact CE2-CD1 4.42Å; Y141-L166 WeakPolarHBondContact OH-CD1 3.15Å; Y141-L166 WeakPolarHBondContact OH-CG 3.4Å; Y141-M169 HydrophobicContact CD2-SD 4.02Å; Y141-M169 HydrophobicContact CE2-CG 4.17Å; Y141-M169 HydrophobicContact CE2-SD 3.49Å; Y141-M169 WeakPolarHBondContact CE2-SD 3.48Å; Y141-L170 HydrophobicContact CD1-CD2 3.92Å; Y141-L170 HydrophobicContact CE1-CD2 3.38Å; Y141-L170 HydrophobicContact CE1-CG 4.09Å; Y141-L173 HydrophobicContact CD2-CD1 3.93Å; Y141-L173 HydrophobicContact CE2-CD1 4.48Å; Y141-L173 HydrophobicContact CG-CD1 3.94Å
142R57.4Low56.2Low33 Ų3363.3 Ų63.313%0.12533%0.327CS..Hα-helixtrans-59.4-45.5176.5-178.7-178.9177170.91.2111.7V12 D41 I44 T138 I139 T145 N146V12-R142 HydrophobicContact CG2-CB 4.43Å; D41-R142 IonicContact OD1-CZ 3.46Å; D41-R142 IonicContact OD1-NH1 3.92Å; D41-R142 IonicContact OD1-NH2 3.51Å; D41-R142 PolarHBondContact OD1-NH2 3.49Å; D41-R142 IonicContact OD2-NH2 2.73Å; I44-R142 VanDerWaalsContact CD1-NH1 3.34Å; T138-R142 PolarHBondContact O-N 2.67Å; T138-R142 VanDerWaalsContact O-N 3.12Å; I139-R142 PolarHBondContact O-N 2.81Å; I139-R142 VanDerWaalsContact O-N 3.17Å; R142-T145 VanDerWaalsContact C-OG1 3.3Å; R142-T145 WeakPolarHBondContact CA-OG1 3.29Å; R142-T145 PolarHBondContact O-N 3.41Å; R142-T145 PolarHBondContact O-OG1 3.38Å; R142-N146 PolarHBondContact O-N 3.06Å; R142-N146 VanDerWaalsContact O-N 3.17Å
143N56.7Low54.9Low87 Ų8762 Ų6247%0.46533%0.329SS..Hα-helixtrans-66.6-43.7-179.9-72.5-10.5000111I139 T140 Y141 T145 N146 S147I139-N143 WeakPolarHBondContact O-CB 3.37Å; I139-N143 PolarHBondContact O-N 3.41Å; T140-N143 PolarHBondContact O-N 2.97Å; Y141-N143 VanDerWaalsContact C-N 3.35Å; Y141-N143 PolarHBondContact O-N 3.47Å; N143-T145 PolarHBondContact O-N 3.25Å; N143-N146 CarbonylContact O-C 3.59Å; N143-N146 WeakPolarHBondContact O-CA 3.42Å; N143-N146 WeakPolarHBondContact O-CB 3.5Å; N143-N146 PolarHBondContact O-N 3.18Å; N143-S147 PolarHBondContact O-N 3.37Å; N143-S147 PolarHBondContact O-OG 3.5Å
144G52.4Low53.6Low18 Ų1858.7 Ų58.719%0.18633%0.326CS..Hα-helixtrans-61.6-29.7174.600000113.3T140 Y141 N146 E152T140-G144 PolarHBondContact O-N 3.34Å; Y141-G144 PolarHBondContact O-N 3.4Å; G144-N146 VanDerWaalsContact C-N 3.3Å; G144-E152 WeakPolarHBondContact CA-OE1 3.26Å
145T48.4Very low52.4Low27 Ų2759.3 Ų59.317%0.16633%0.33CS..Hα-helixtrans-73.8-19.9170.554.70000114.1Y141 R142 N143 R156Y141-T145 HydrophobicContact CD1-CG2 4.24Å; Y141-T145 HydrophobicContact CE1-CG2 3.91Å; Y141-T145 WeakPolarHBondContact O-CG2 3.28Å; Y141-T145 PolarHBondContact O-N 3.36Å; Y141-T145 PolarHBondContact O-OG1 2.79Å; R142-T145 VanDerWaalsContact C-OG1 3.3Å; R142-T145 WeakPolarHBondContact CA-OG1 3.29Å; R142-T145 PolarHBondContact O-N 3.41Å; R142-T145 PolarHBondContact O-OG1 3.38Å; N143-T145 PolarHBondContact O-N 3.25Å; T145-R156 PolarHBondContact O-NE 2.83Å
146N42.9Very low51.3Low98 Ų9864.8 Ų64.852%0.52435%0.35SS..Hα-helixtrans-96.2-23.2176.7-73.3-10.9000113.2R142 N143 G144R142-N146 PolarHBondContact O-N 3.06Å; R142-N146 VanDerWaalsContact O-N 3.17Å; N143-N146 CarbonylContact O-C 3.59Å; N143-N146 WeakPolarHBondContact O-CA 3.42Å; N143-N146 WeakPolarHBondContact O-CB 3.5Å; N143-N146 PolarHBondContact O-N 3.18Å; G144-N146 VanDerWaalsContact C-N 3.3Å
147S39.6Very low50.3Low35 Ų3564.4 Ų64.425%0.24535%0.35CS..  trans-67.7139.9-179.6-480000112.7N143 E152N143-S147 PolarHBondContact O-N 3.37Å; N143-S147 PolarHBondContact O-OG 3.5Å; S147-E152 WeakPolarHBondContact CB-OE1 3.43Å; S147-E152 WeakPolarHBondContact CB-OE2 3.42Å; S147-E152 PolarHBondContact OG-OE1 3.31Å; S147-E152 PolarHBondContact OG-OE2 3.39Å
148Q42.6Very low49.3Very low190 Ų19064.2 Ų64.289%0.88835%0.348SS*.  trans-97.313.4172.9-66-177.3-500113.3
149S43.1Very low48.6Very low53 Ų5364.4 Ų64.437%0.37135%0.349SS..  trans-63.7150.1177.985.30000110.4N151 E152 A153S149-N151 VanDerWaalsContact C-N 3.26Å; S149-N151 PolarHBondContact O-N 2.93Å; S149-E152 WeakPolarHBondContact CB-OE2 3.4Å; S149-E152 CarbonylContact O-C 3.6Å; S149-E152 PolarHBondContact O-N 2.82Å; S149-E152 WeakPolarHBondContact OG-CB 3.36Å; S149-E152 WeakPolarHBondContact OG-CG 3.36Å; S149-E152 PolarHBondContact OG-N 3.41Å; S149-E152 PolarHBondContact OG-OE2 3.43Å; S149-A153 WeakPolarHBondContact O-CB 3.24Å; S149-A153 PolarHBondContact O-N 3.32Å
150S45.5Very low47.8Very low96 Ų9667.2 Ų67.267%0.67136%0.364SS*.Hα-helixtrans-61.3-33.7-173.860.90000113.5A154S150-A154 PolarHBondContact O-N 2.99Å
151N47.9Very low47.3Very low109 Ų10971.4 Ų71.458%0.58338%0.38SS*.Hα-helixtrans-77.2-37.9178.6-69.3-4.4000111S149 A154 C155S149-N151 VanDerWaalsContact C-N 3.26Å; S149-N151 PolarHBondContact O-N 2.93Å; N151-A154 WeakPolarHBondContact O-CB 3.33Å; N151-A154 PolarHBondContact O-N 3.42Å; N151-C155 PolarHBondContact O-N 3.42Å
152E42.8Very low46.9Very low41 Ų4171.8 Ų71.819%0.19238%0.383CS..Hα-helixtrans-72.7-32.1174.8-72.7163.312900111.7G144 S147 S149 A154 C155 R156G144-E152 WeakPolarHBondContact CA-OE1 3.26Å; S147-E152 WeakPolarHBondContact CB-OE1 3.43Å; S147-E152 WeakPolarHBondContact CB-OE2 3.42Å; S147-E152 PolarHBondContact OG-OE1 3.31Å; S147-E152 PolarHBondContact OG-OE2 3.39Å; S149-E152 WeakPolarHBondContact CB-OE2 3.4Å; S149-E152 CarbonylContact O-C 3.6Å; S149-E152 PolarHBondContact O-N 2.82Å; S149-E152 WeakPolarHBondContact OG-CB 3.36Å; S149-E152 WeakPolarHBondContact OG-CG 3.36Å; S149-E152 PolarHBondContact OG-N 3.41Å; S149-E152 PolarHBondContact OG-OE2 3.43Å; E152-A154 VanDerWaalsContact C-N 3.27Å; E152-A154 PolarHBondContact O-N 3.29Å; E152-C155 CarbonylContact O-C 3.54Å; E152-C155 PolarHBondContact O-N 2.77Å; E152-R156 VanDerWaalsContact O-CB 3.29Å; E152-R156 WeakPolarHBondContact O-CB 3.49Å; E152-R156 PolarHBondContact O-N 3.33Å
153A46.3Very low46.8Very low46 Ų4672.1 Ų72.138%0.3839%0.386SS..Hα-helixtrans-62.4-36.7171.100000111.2S149 R156 Y157S149-A153 WeakPolarHBondContact O-CB 3.24Å; S149-A153 PolarHBondContact O-N 3.32Å; A153-R156 PolarHBondContact O-N 3.47Å; A153-Y157 VanDerWaalsContact O-CB 3.23Å; A153-Y157 WeakPolarHBondContact O-CB 3.35Å; A153-Y157 PolarHBondContact O-N 2.72Å
154A46.3Very low46.8Very low59 Ų5968.6 Ų68.649%0.48837%0.367SS..Hα-helixtrans-68.2-41.7172.100000112S150 N151 E152 Y157 F158S150-A154 PolarHBondContact O-N 2.99Å; N151-A154 WeakPolarHBondContact O-CB 3.33Å; N151-A154 PolarHBondContact O-N 3.42Å; E152-A154 VanDerWaalsContact C-N 3.27Å; E152-A154 PolarHBondContact O-N 3.29Å; A154-Y157 PolarHBondContact O-N 3.22Å; A154-F158 WeakPolarHBondContact O-CB 3.44Å; A154-F158 PolarHBondContact O-N 3.18Å
155C43.5Very low47.2Very low21 Ų2168.3 Ų68.314%0.14236%0.362CS..Hα-helixtrans-63-43.2171.7-72.50000111.3N151 E152 Y157 F158 L159 C232N151-C155 PolarHBondContact O-N 3.42Å; E152-C155 CarbonylContact O-C 3.54Å; E152-C155 PolarHBondContact O-N 2.77Å; C155-Y157 PolarHBondContact O-N 2.89Å; C155-F158 PolarHBondContact O-N 3.13Å; C155-L159 HydrophobicContact CB-CD1 4.48Å; C155-L159 WeakPolarHBondContact O-CB 3.34Å; C155-L159 WeakPolarHBondContact O-CD1 3.48Å; C155-L159 WeakPolarHBondContact O-CG 3.38Å; C155-L159 PolarHBondContact O-N 3.48Å; C155-C232 HydrophobicContact CB-CB 3.98Å; C155-C232 WeakPolarHBondContact CB-SG 3.03Å; C155-C232 VanDerWaalsContact SG-CA 3.5Å; C155-C232 WeakPolarHBondContact SG-CB 3.37Å; C155-C232 CovalentContact SG-SG 2.05Å; C155-C232 PolarHBondContact SG-SG 3.04Å
156R44.3Very low47.8Very low116 Ų11668.6 Ų68.644%0.43836%0.363SS..Hα-helixtrans-61.8-45176.2-155.8-178.7-169.3-95.2-0.3110T145 E152 A153 L160T145-R156 PolarHBondContact O-NE 2.83Å; E152-R156 VanDerWaalsContact O-CB 3.29Å; E152-R156 WeakPolarHBondContact O-CB 3.49Å; E152-R156 PolarHBondContact O-N 3.33Å; A153-R156 PolarHBondContact O-N 3.47Å; R156-L160 HydrophobicContact CG-CD1 3.85Å; R156-L160 HydrophobicContact CG-CG 4.34Å; R156-L160 WeakPolarHBondContact O-CA 3.12Å; R156-L160 WeakPolarHBondContact O-CB 3.34Å; R156-L160 WeakPolarHBondContact O-CD1 3.36Å; R156-L160 WeakPolarHBondContact O-CG 3.02Å; R156-L160 PolarHBondContact O-N 3.17Å
157Y46.1Very low48.8Very low150 Ų15064.1 Ų64.159%0.58834%0.338SS*.Hα-helixtrans-59-51.7174.2-177.5-90.7000111.1A153 A154 C155 L160 H161A153-Y157 VanDerWaalsContact O-CB 3.23Å; A153-Y157 WeakPolarHBondContact O-CB 3.35Å; A153-Y157 PolarHBondContact O-N 2.72Å; A154-Y157 PolarHBondContact O-N 3.22Å; C155-Y157 PolarHBondContact O-N 2.89Å; Y157-L160 PolarHBondContact O-N 2.94Å; Y157-H161 AromaticContact CD1-CD2 3.71Å; Y157-H161 AromaticContact CD2-CD2 3.51Å; Y157-H161 AromaticContact CD2-NE2 3.64Å; Y157-H161 AromaticContact CE1-CD2 3.47Å; Y157-H161 VanDerWaalsContact CE1-CD2 3.47Å; Y157-H161 WeakPolarHBondContact CE1-CD2 3.33Å; Y157-H161 AromaticContact CE1-NE2 3.98Å; Y157-H161 AromaticContact CE2-CD2 3.28Å; Y157-H161 WeakPolarHBondContact CE2-CD2 3.45Å; Y157-H161 AromaticContact CE2-NE2 3.03Å; Y157-H161 WeakPolarHBondContact CE2-NE2 3.48Å; Y157-H161 AromaticContact CG-CD2 3.72Å; Y157-H161 AromaticContact CZ-CD2 3.23Å; Y157-H161 AromaticContact CZ-NE2 3.22Å; Y157-H161 VanDerWaalsContact O-CB 3.3Å; Y157-H161 WeakPolarHBondContact O-CB 3.45Å; Y157-H161 PolarHBondContact O-CD2 3.26Å; Y157-H161 PolarHBondContact O-N 3.35Å; Y157-H161 PolarHBondContact OH-NE2 2.92Å
158F45.5Very low50Low64 Ų6464.6 Ų64.628%0.28134%0.338SS..Hα-helixtrans-63.1-44.5179.8-177-96.9000112.4A154 C155 H161 N162 P229A154-F158 WeakPolarHBondContact O-CB 3.44Å; A154-F158 PolarHBondContact O-N 3.18Å; C155-F158 PolarHBondContact O-N 3.13Å; F158-H161 PolarHBondContact O-N 3.44Å; F158-N162 VanDerWaalsContact O-CB 3.26Å; F158-N162 WeakPolarHBondContact O-CB 3.25Å; F158-N162 PolarHBondContact O-N 3.38Å; F158-P229 HydrophobicContact CD1-CG 4.4Å; F158-P229 HydrophobicContact CE1-CG 4.25Å
159L46.8Very low51.2Low14 Ų1456.7 Ų56.77%0.07330%0.301CS..Hα-helixtrans-68.5-37.5178.3-70.7171.2000112.1Y141 C155 N162 Q163 L166 M169Y141-L159 HydrophobicContact CE2-CD1 4.42Å; C155-L159 HydrophobicContact CB-CD1 4.48Å; C155-L159 WeakPolarHBondContact O-CB 3.34Å; C155-L159 WeakPolarHBondContact O-CD1 3.48Å; C155-L159 WeakPolarHBondContact O-CG 3.38Å; C155-L159 PolarHBondContact O-N 3.48Å; L159-N162 CarbonylContact O-C 3.15Å; L159-N162 PolarHBondContact O-N 3.12Å; L159-Q163 PolarHBondContact O-N 3.13Å; L159-L166 HydrophobicContact CB-CD1 3.64Å; L159-L166 HydrophobicContact CD1-CD1 4.1Å; L159-L166 HydrophobicContact CD2-CD1 4.23Å; L159-L166 HydrophobicContact CG-CD1 4.21Å; L159-M169 HydrophobicContact CD2-CE 4.24Å; L159-M169 HydrophobicContact CD2-SD 4.37Å
160L46.8Very low52.5Low95 Ų9554.7 Ų54.750%0.49729%0.286SS..Hα-helixtrans-67.6-44.4173.7-77.3167.2000111R156 Y157 N162 Q163R156-L160 HydrophobicContact CG-CD1 3.85Å; R156-L160 HydrophobicContact CG-CG 4.34Å; R156-L160 WeakPolarHBondContact O-CA 3.12Å; R156-L160 WeakPolarHBondContact O-CB 3.34Å; R156-L160 WeakPolarHBondContact O-CD1 3.36Å; R156-L160 WeakPolarHBondContact O-CG 3.02Å; R156-L160 PolarHBondContact O-N 3.17Å; Y157-L160 PolarHBondContact O-N 2.94Å; L160-N162 PolarHBondContact O-N 3.34Å; L160-Q163 WeakPolarHBondContact O-CG 2.86Å
161H49.6Very low53.8Low132 Ų13250.9 Ų50.961%0.61126%0.258SS*.Hα-helixtrans-71.6-22.9177.8-83.2-73.9000112.6Y157 F158Y157-H161 AromaticContact CD1-CD2 3.71Å; Y157-H161 AromaticContact CD2-CD2 3.51Å; Y157-H161 AromaticContact CD2-NE2 3.64Å; Y157-H161 AromaticContact CE1-CD2 3.47Å; Y157-H161 VanDerWaalsContact CE1-CD2 3.47Å; Y157-H161 WeakPolarHBondContact CE1-CD2 3.33Å; Y157-H161 AromaticContact CE1-NE2 3.98Å; Y157-H161 AromaticContact CE2-CD2 3.28Å; Y157-H161 WeakPolarHBondContact CE2-CD2 3.45Å; Y157-H161 AromaticContact CE2-NE2 3.03Å; Y157-H161 WeakPolarHBondContact CE2-NE2 3.48Å; Y157-H161 AromaticContact CG-CD2 3.72Å; Y157-H161 AromaticContact CZ-CD2 3.23Å; Y157-H161 AromaticContact CZ-NE2 3.22Å; Y157-H161 VanDerWaalsContact O-CB 3.3Å; Y157-H161 WeakPolarHBondContact O-CB 3.45Å; Y157-H161 PolarHBondContact O-CD2 3.26Å; Y157-H161 PolarHBondContact O-N 3.35Å; Y157-H161 PolarHBondContact OH-NE2 2.92Å; F158-H161 PolarHBondContact O-N 3.44Å
162N51.1Low55.1Low24 Ų2451.8 Ų51.813%0.12825%0.254CS..THydrogen-bonded Turntrans-118.864.7175.7-151.3-23.6000111F158 L159 L160 L164 S165 L166 W220F158-N162 VanDerWaalsContact O-CB 3.26Å; F158-N162 WeakPolarHBondContact O-CB 3.25Å; F158-N162 PolarHBondContact O-N 3.38Å; L159-N162 CarbonylContact O-C 3.15Å; L159-N162 PolarHBondContact O-N 3.12Å; L160-N162 PolarHBondContact O-N 3.34Å; N162-L164 PolarHBondContact O-N 2.94Å; N162-S165 VanDerWaalsContact CG-OG 3.28Å; N162-S165 PolarHBondContact ND2-OG 3.31Å; N162-S165 WeakPolarHBondContact O-CA 3.34Å; N162-S165 WeakPolarHBondContact O-CB 3.39Å; N162-S165 PolarHBondContact O-N 3.43Å; N162-S165 PolarHBondContact OD1-OG 2.98Å; N162-L166 PolarHBondContact O-N 3.49Å; N162-W220 WeakPolarHBondContact OD1-CH2 3.47Å
163Q55.3Low56.5Low40 Ų4051.3 Ų51.319%0.18725%0.252CS..Hα-helixtrans-49.9-30178.6-74.6174.5-29.500113.5E17 L159 L160 L166 Q167E17-Q163 PolarHBondContact OE2-NE2 3.09Å; L159-Q163 PolarHBondContact O-N 3.13Å; L160-Q163 WeakPolarHBondContact O-CG 2.86Å; Q163-L166 PolarHBondContact O-N 2.97Å; Q163-Q167 VanDerWaalsContact O-CG 3.3Å; Q163-Q167 WeakPolarHBondContact O-CG 3.47Å; Q163-Q167 PolarHBondContact O-N 2.87Å; Q163-Q167 VanDerWaalsContact O-N 3.09Å
164L55.8Low57.9Low12 Ų1249.1 Ų49.16%0.06323%0.234CC..Hα-helixtrans-64.7-44.9175.1-177.459.7000111.3N162 L166 Q167 L168 C212 R215 W220N162-L164 PolarHBondContact O-N 2.94Å; L164-L166 VanDerWaalsContact C-N 3.33Å; L164-L166 PolarHBondContact O-N 3.42Å; L164-Q167 PolarHBondContact O-N 3.17Å; L164-L168 HydrophobicContact CD1-CD1 4.04Å; L164-L168 HydrophobicContact CD1-CG 4.11Å; L164-L168 HydrophobicContact CD2-CD1 4.45Å; L164-L168 HydrophobicContact CG-CD1 3.86Å; L164-L168 HydrophobicContact CG-CG 4.36Å; L164-L168 WeakPolarHBondContact O-CB 3.45Å; L164-L168 WeakPolarHBondContact O-CG 3.42Å; L164-L168 PolarHBondContact O-N 2.78Å; L164-C212 HydrophobicContact CD1-CB 4.27Å; L164-R215 HydrophobicContact CD1-CB 3.95Å; L164-R215 HydrophobicContact CD2-CB 3.98Å; L164-R215 HydrophobicContact CG-CB 4.42Å; L164-W220 HydrophobicContact CB-CZ2 4.05Å; L164-W220 HydrophobicContact CD2-CD2 4.33Å; L164-W220 HydrophobicContact CD2-CH2 4.42Å; L164-W220 HydrophobicContact CD2-CZ2 3.45Å; L164-W220 VanDerWaalsContact CD2-CZ2 3.45Å; L164-W220 VanDerWaalsContact CD2-NE1 3.28Å; L164-W220 HydrophobicContact CG-CZ2 4.39Å
165S61.3Low59.6Low13 Ų1348.9 Ų48.99%0.09123%0.225CC..Hα-helixtrans-62.2-40176.5-62.60000111.7N162 M169N162-S165 VanDerWaalsContact CG-OG 3.28Å; N162-S165 PolarHBondContact ND2-OG 3.31Å; N162-S165 WeakPolarHBondContact O-CA 3.34Å; N162-S165 WeakPolarHBondContact O-CB 3.39Å; N162-S165 PolarHBondContact O-N 3.43Å; N162-S165 PolarHBondContact OD1-OG 2.98Å; S165-M169 WeakPolarHBondContact O-CB 3.3Å; S165-M169 PolarHBondContact O-N 2.84Å
166L60.6Low61.2Low33 Ų3349.2 Ų49.217%0.17323%0.232CC..Hα-helixtrans-58.9-49.6175.2-172.290.7000110.9Y141 L159 N162 Q163 L164 M169 L170Y141-L166 WeakPolarHBondContact OH-CD1 3.15Å; Y141-L166 WeakPolarHBondContact OH-CG 3.4Å; L159-L166 HydrophobicContact CB-CD1 3.64Å; L159-L166 HydrophobicContact CD1-CD1 4.1Å; L159-L166 HydrophobicContact CD2-CD1 4.23Å; L159-L166 HydrophobicContact CG-CD1 4.21Å; N162-L166 PolarHBondContact O-N 3.49Å; Q163-L166 PolarHBondContact O-N 2.97Å; L164-L166 VanDerWaalsContact C-N 3.33Å; L164-L166 PolarHBondContact O-N 3.42Å; L166-M169 WeakPolarHBondContact O-CB 2.82Å; L166-M169 PolarHBondContact O-N 2.87Å; L166-L170 HydrophobicContact CG-CD1 4.39Å; L166-L170 WeakPolarHBondContact O-CG 3.01Å; L166-L170 PolarHBondContact O-N 3.25Å
167Q64.1Low62.8Low3 Ų343.8 Ų43.81%0.01421%0.211CC..Hα-helixtrans-72.4-40.9-175.7-68.9171.8-14.100113.5Q163 L164 M169 L170 L171 L208 D211Q163-Q167 VanDerWaalsContact O-CG 3.3Å; Q163-Q167 WeakPolarHBondContact O-CG 3.47Å; Q163-Q167 PolarHBondContact O-N 2.87Å; Q163-Q167 VanDerWaalsContact O-N 3.09Å; L164-Q167 PolarHBondContact O-N 3.17Å; Q167-M169 PolarHBondContact O-N 3.26Å; Q167-L170 PolarHBondContact O-N 2.64Å; Q167-L171 VanDerWaalsContact O-CB 3.29Å; Q167-L171 WeakPolarHBondContact O-CB 3.43Å; Q167-L171 PolarHBondContact O-N 3.15Å; Q167-L208 HydrophobicContact CB-CD2 4.28Å; Q167-L208 HydrophobicContact CG-CD2 4.21Å; Q167-D211 PolarHBondContact NE2-OD2 3.5Å
168L65.9Low64.6Low46 Ų4637.1 Ų37.124%0.24119%0.186CC..Hα-helixtrans-61.1-38.2173-76.1172.4000110.9L164 R172 C212L164-L168 HydrophobicContact CD1-CD1 4.04Å; L164-L168 HydrophobicContact CD1-CG 4.11Å; L164-L168 HydrophobicContact CD2-CD1 4.45Å; L164-L168 HydrophobicContact CG-CD1 3.86Å; L164-L168 HydrophobicContact CG-CG 4.36Å; L164-L168 WeakPolarHBondContact O-CB 3.45Å; L164-L168 WeakPolarHBondContact O-CG 3.42Å; L164-L168 PolarHBondContact O-N 2.78Å; L168-R172 WeakPolarHBondContact O-CB 3.16Å; L168-R172 VanDerWaalsContact O-CG 3.26Å; L168-R172 WeakPolarHBondContact O-CG 3.47Å; L168-R172 PolarHBondContact O-N 2.7Å; L168-C212 HydrophobicContact CD2-CB 4.15Å; L168-C212 VanDerWaalsContact CD2-SG 3.53Å
169M67.6Low66.6Low23 Ų2337.5 Ų37.511%0.11320%0.196CC..Hα-helixtrans-67.2-46175.4-173.5178.8-69.800111.6Y141 L159 S165 L166 Q167 L171 R172 L173 C233Y141-M169 HydrophobicContact CD2-SD 4.02Å; Y141-M169 HydrophobicContact CE2-CG 4.17Å; Y141-M169 HydrophobicContact CE2-SD 3.49Å; Y141-M169 WeakPolarHBondContact CE2-SD 3.48Å; L159-M169 HydrophobicContact CD2-CE 4.24Å; L159-M169 HydrophobicContact CD2-SD 4.37Å; S165-M169 WeakPolarHBondContact O-CB 3.3Å; S165-M169 PolarHBondContact O-N 2.84Å; L166-M169 WeakPolarHBondContact O-CB 2.82Å; L166-M169 PolarHBondContact O-N 2.87Å; Q167-M169 PolarHBondContact O-N 3.26Å; M169-L171 VanDerWaalsContact C-N 3.31Å; M169-L171 PolarHBondContact O-N 2.96Å; M169-R172 WeakPolarHBondContact O-CB 3.18Å; M169-R172 PolarHBondContact O-N 3.24Å; M169-L173 HydrophobicContact CG-CD1 4.3Å; M169-L173 WeakPolarHBondContact O-CG 3.49Å; M169-L173 PolarHBondContact O-N 2.86Å; M169-C233 PolarHBondContact SD-SG 3.38Å
170L70.1Confident68.4Low11 Ų1137.4 Ų37.46%0.05820%0.197CC..Hα-helixtrans-59.3-42.5174.5-74.6174.8000112.4V12 Y141 L166 Q167 R172 L173 L174 L208V12-L170 HydrophobicContact CB-CD2 4.07Å; V12-L170 HydrophobicContact CG1-CD1 4.07Å; V12-L170 HydrophobicContact CG1-CD2 3.42Å; V12-L170 VanDerWaalsContact CG1-CD2 3.42Å; V12-L170 HydrophobicContact CG1-CG 4.38Å; Y141-L170 HydrophobicContact CD1-CD2 3.92Å; Y141-L170 HydrophobicContact CE1-CD2 3.38Å; Y141-L170 HydrophobicContact CE1-CG 4.09Å; L166-L170 HydrophobicContact CG-CD1 4.39Å; L166-L170 WeakPolarHBondContact O-CG 3.01Å; L166-L170 PolarHBondContact O-N 3.25Å; Q167-L170 PolarHBondContact O-N 2.64Å; L170-R172 VanDerWaalsContact C-N 3.35Å; L170-L173 PolarHBondContact O-N 3.05Å; L170-L174 VanDerWaalsContact O-CB 3.24Å; L170-L174 WeakPolarHBondContact O-CB 3.28Å; L170-L174 PolarHBondContact O-N 3.06Å; L170-L208 HydrophobicContact CB-CD1 4.02Å; L170-L208 HydrophobicContact CB-CD2 4.05Å; L170-L208 HydrophobicContact CD1-CD2 4.12Å
171L72.7Confident70.2Confident16 Ų1632.9 Ų32.98%0.08417%0.173CC..Hα-helixtrans-65.1-39.8176.9-177.164.5000111.4Q167 M169 N175 R205 L208 L209Q167-L171 VanDerWaalsContact O-CB 3.29Å; Q167-L171 WeakPolarHBondContact O-CB 3.43Å; Q167-L171 PolarHBondContact O-N 3.15Å; M169-L171 VanDerWaalsContact C-N 3.31Å; M169-L171 PolarHBondContact O-N 2.96Å; L171-N175 VanDerWaalsContact O-CB 3.32Å; L171-N175 WeakPolarHBondContact O-CB 3.28Å; L171-N175 PolarHBondContact O-N 3.35Å; L171-N175 PolarHBondContact O-ND2 2.78Å; L171-N175 VanDerWaalsContact O-ND2 3.14Å; L171-R205 HydrophobicContact CD1-CB 4.38Å; L171-R205 HydrophobicContact CD1-CG 4.23Å; L171-L208 HydrophobicContact CB-CB 4.4Å; L171-L208 HydrophobicContact CB-CD1 4.42Å; L171-L208 HydrophobicContact CD1-CB 4.4Å; L171-L209 HydrophobicContact CD1-CG 4.22Å; L171-L209 HydrophobicContact CD2-CD2 3.42Å; L171-L209 VanDerWaalsContact CD2-CD2 3.42Å; L171-L209 HydrophobicContact CD2-CG 3.83Å
172R74Confident72.1Confident129 Ų12930 Ų3049%0.48716%0.16SC..Hα-helixtrans-64.4-44.8174.1-77.5175.6-176.6174.24.4111.9L168 M169 L170 G176L168-R172 WeakPolarHBondContact O-CB 3.16Å; L168-R172 VanDerWaalsContact O-CG 3.26Å; L168-R172 WeakPolarHBondContact O-CG 3.47Å; L168-R172 PolarHBondContact O-N 2.7Å; M169-R172 WeakPolarHBondContact O-CB 3.18Å; M169-R172 PolarHBondContact O-N 3.24Å; L170-R172 VanDerWaalsContact C-N 3.35Å; R172-G176 PolarHBondContact O-N 2.77Å
173L73.5Confident73.9Confident30 Ų3032.5 Ų32.516%0.15718%0.178CC..Hα-helixtrans-61.9-46.3176.5-72.8171.3000110.9E137 Y141 M169 L170 G176 F177E137-L173 HydrophobicContact CB-CD2 3.96Å; Y141-L173 HydrophobicContact CD2-CD1 3.93Å; Y141-L173 HydrophobicContact CE2-CD1 4.48Å; Y141-L173 HydrophobicContact CG-CD1 3.94Å; M169-L173 HydrophobicContact CG-CD1 4.3Å; M169-L173 WeakPolarHBondContact O-CG 3.49Å; M169-L173 PolarHBondContact O-N 2.86Å; L170-L173 PolarHBondContact O-N 3.05Å; L173-G176 PolarHBondContact O-N 2.55Å; L173-F177 VanDerWaalsContact O-CB 3.29Å; L173-F177 WeakPolarHBondContact O-CB 3.24Å; L173-F177 PolarHBondContact O-N 2.73Å
174L75.9Confident75.5Confident0 Ų031.7 Ų31.70%018%0.176CC..Hα-helixtrans-62-49.6177.8175.657.6000111.7I9 L170 G176 F177 L178 F201 A204 R205 L208I9-L174 HydrophobicContact CB-CD1 4.37Å; I9-L174 HydrophobicContact CD1-CD1 3.89Å; I9-L174 HydrophobicContact CG2-CB 4.17Å; I9-L174 HydrophobicContact CG2-CD1 3.68Å; I9-L174 HydrophobicContact CG2-CD2 4.45Å; I9-L174 HydrophobicContact CG2-CG 4.3Å; L170-L174 VanDerWaalsContact O-CB 3.24Å; L170-L174 WeakPolarHBondContact O-CB 3.28Å; L170-L174 PolarHBondContact O-N 3.06Å; L174-G176 VanDerWaalsContact C-N 3.34Å; L174-G176 PolarHBondContact O-N 3.16Å; L174-F177 PolarHBondContact O-N 3.1Å; L174-L178 HydrophobicContact CD1-CD1 4.06Å; L174-L178 HydrophobicContact CD1-CG 4.11Å; L174-L178 HydrophobicContact CG-CD1 4.22Å; L174-L178 WeakPolarHBondContact O-CB 3.32Å; L174-L178 VanDerWaalsContact O-CG 3.3Å; L174-L178 WeakPolarHBondContact O-CG 3.41Å; L174-L178 PolarHBondContact O-N 3.02Å; L174-F201 HydrophobicContact CD1-CB 4.03Å; L174-F201 HydrophobicContact CD1-CD1 3.34Å; L174-F201 HydrophobicContact CD1-CE1 3.88Å; L174-F201 HydrophobicContact CD1-CG 3.71Å; L174-A204 HydrophobicContact CD2-CB 3.98Å; L174-R205 HydrophobicContact CD2-CG 3.52Å; L174-R205 HydrophobicContact CG-CG 4.24Å; L174-L208 HydrophobicContact CD2-CD1 4.25Å
175N81.5Confident77Confident55 Ų5531.1 Ų31.129%0.29417%0.173SC..Hα-helixtrans-64.7-38.8178.4-69.7-29.5000111.8L171 L178 S179 R205L171-N175 VanDerWaalsContact O-CB 3.32Å; L171-N175 WeakPolarHBondContact O-CB 3.28Å; L171-N175 PolarHBondContact O-N 3.35Å; L171-N175 PolarHBondContact O-ND2 2.78Å; L171-N175 VanDerWaalsContact O-ND2 3.14Å; N175-L178 PolarHBondContact O-N 3.35Å; N175-S179 WeakPolarHBondContact O-CB 3.44Å; N175-S179 PolarHBondContact O-N 3.09Å; N175-S179 PolarHBondContact O-OG 3.4Å; N175-R205 PolarHBondContact OD1-NE 2.72Å
176G77.5Confident78.6Confident28 Ų2833.7 Ų33.729%0.28918%0.184SC..Hα-helixtrans-61.4-47174.900000111.7R172 L173 L174 S179 C180R172-G176 PolarHBondContact O-N 2.77Å; L173-G176 PolarHBondContact O-N 2.55Å; L174-G176 VanDerWaalsContact C-N 3.34Å; L174-G176 PolarHBondContact O-N 3.16Å; G176-S179 PolarHBondContact O-N 3.47Å; G176-S179 PolarHBondContact O-OG 3.2Å; G176-C180 PolarHBondContact O-N 3.05Å
177F77.2Confident80Confident1 Ų136.3 Ų36.30%0.00421%0.21CC..Hα-helixtrans-59.5-47.7175.4179.7-104.4000112.5K5 L6 I9 A134 L173 L174 S179 C180 L181 F201K5-F177 HydrophobicContact CB-CE2 4.3Å; K5-F177 HydrophobicContact CB-CZ 4.24Å; L6-F177 HydrophobicContact CD2-CE1 4.14Å; L6-F177 HydrophobicContact CG-CE1 4.35Å; L6-F177 HydrophobicContact CG-CZ 4.37Å; I9-F177 HydrophobicContact CD1-CB 3.84Å; I9-F177 HydrophobicContact CD1-CD1 3.22Å; I9-F177 HydrophobicContact CD1-CD2 4.34Å; I9-F177 HydrophobicContact CD1-CE1 3.72Å; I9-F177 HydrophobicContact CD1-CG 3.55Å; I9-F177 HydrophobicContact CD1-CZ 4.48Å; A134-F177 HydrophobicContact CB-CB 4.21Å; A134-F177 HydrophobicContact CB-CD2 4.05Å; L173-F177 VanDerWaalsContact O-CB 3.29Å; L173-F177 WeakPolarHBondContact O-CB 3.24Å; L173-F177 PolarHBondContact O-N 2.73Å; L174-F177 PolarHBondContact O-N 3.1Å; F177-S179 PolarHBondContact O-N 3.43Å; F177-C180 PolarHBondContact O-N 2.92Å; F177-L181 HydrophobicContact CD1-CD1 3.75Å; F177-L181 HydrophobicContact CD1-CG 4.42Å; F177-L181 HydrophobicContact CE1-CD1 3.17Å; F177-L181 HydrophobicContact CE1-CG 4.11Å; F177-L181 HydrophobicContact CE2-CD1 4.15Å; F177-L181 HydrophobicContact CE2-CG 4.32Å; F177-L181 HydrophobicContact CG-CD1 4.48Å; F177-L181 HydrophobicContact CZ-CD1 3.4Å; F177-L181 VanDerWaalsContact CZ-CD1 3.4Å; F177-L181 HydrophobicContact CZ-CD2 4.49Å; F177-L181 HydrophobicContact CZ-CG 4.05Å; F177-L181 PolarHBondContact O-N 3.21Å; F177-F201 HydrophobicContact CE1-CZ 4.31Å
178L84.4Confident81.3Confident10 Ų1041.4 Ų41.45%0.05224%0.235CC..Hα-helixtrans-59.8-43.5175.9-74179.3000112.3L174 N175 C180 L181 Q182 W194 V197 F201L174-L178 HydrophobicContact CD1-CD1 4.06Å; L174-L178 HydrophobicContact CD1-CG 4.11Å; L174-L178 HydrophobicContact CG-CD1 4.22Å; L174-L178 WeakPolarHBondContact O-CB 3.32Å; L174-L178 VanDerWaalsContact O-CG 3.3Å; L174-L178 WeakPolarHBondContact O-CG 3.41Å; L174-L178 PolarHBondContact O-N 3.02Å; N175-L178 PolarHBondContact O-N 3.35Å; L178-C180 VanDerWaalsContact C-N 3.28Å; L178-C180 PolarHBondContact O-N 2.92Å; L178-L181 PolarHBondContact O-N 3.32Å; L178-L181 VanDerWaalsContact O-N 3.17Å; L178-Q182 PolarHBondContact O-N 2.85Å; L178-W194 HydrophobicContact CB-CH2 3.97Å; L178-W194 HydrophobicContact CD2-CH2 3.81Å; L178-W194 HydrophobicContact CD2-CZ3 4.13Å; L178-W194 HydrophobicContact CG-CH2 4.44Å; L178-W194 WeakPolarHBondContact O-CH2 3.32Å; L178-V197 HydrophobicContact CD2-CG1 4.31Å; L178-F201 HydrophobicContact CD1-CB 4Å; L178-F201 HydrophobicContact CD1-CG 4.47Å; L178-F201 HydrophobicContact CD2-CB 4.34Å; L178-F201 HydrophobicContact CD2-CD2 3.49Å; L178-F201 VanDerWaalsContact CD2-CD2 3.49Å; L178-F201 HydrophobicContact CD2-CE2 3.98Å; L178-F201 HydrophobicContact CD2-CG 4.1Å; L178-F201 HydrophobicContact CG-CD2 4.45Å
179S86.7Confident82.5Confident72 Ų7240.1 Ų40.150%0.50323%0.23SC..Hα-helixtrans-64.9-30.7178.172.10000113.4N175 G176 F177 P183N175-S179 WeakPolarHBondContact O-CB 3.44Å; N175-S179 PolarHBondContact O-N 3.09Å; N175-S179 PolarHBondContact O-OG 3.4Å; G176-S179 PolarHBondContact O-N 3.47Å; G176-S179 PolarHBondContact O-OG 3.2Å; F177-S179 PolarHBondContact O-N 3.43Å; S179-P183 WeakPolarHBondContact O-CD 3.33Å
180C84.3Confident83.7Confident13 Ų1340.4 Ų40.49%0.08824%0.238CC..Hα-helixtrans-75.1-36.6172.8-72.40000112.2C130 V131 A134 G176 F177 L178C130-C180 HydrophobicContact CB-CB 3.68Å; C130-C180 WeakPolarHBondContact CB-SG 3.32Å; C130-C180 PolarHBondContact O-SG 3.2Å; C130-C180 VanDerWaalsContact O-SG 3.32Å; C130-C180 VanDerWaalsContact SG-CA 3.54Å; C130-C180 WeakPolarHBondContact SG-CB 3.32Å; C130-C180 CovalentContact SG-SG 2.04Å; C130-C180 PolarHBondContact SG-SG 3.02Å; V131-C180 HydrophobicContact CG2-CB 4.14Å; V131-C180 WeakPolarHBondContact CG2-O 3.48Å; A134-C180 HydrophobicContact CB-CB 4.44Å; G176-C180 PolarHBondContact O-N 3.05Å; F177-C180 PolarHBondContact O-N 2.92Å; L178-C180 VanDerWaalsContact C-N 3.28Å; L178-C180 PolarHBondContact O-N 2.92Å
181L84.3Confident84.9Confident0 Ų044.8 Ų44.80%026%0.262CS..Hα-helixtrans-74.7-39.1-178.2-81.2-177.2000112.9L6 V123 E124 V131 F177 L178 S184 I185 W194L6-L181 HydrophobicContact CD2-CD1 3.71Å; L6-L181 HydrophobicContact CG-CD1 4.22Å; V123-L181 HydrophobicContact CG1-CD2 4.18Å; E124-L181 HydrophobicContact CG-CD2 4.39Å; V131-L181 HydrophobicContact CB-CD2 4.49Å; V131-L181 HydrophobicContact CG1-CD2 3.71Å; V131-L181 HydrophobicContact CG2-CD2 3.93Å; F177-L181 HydrophobicContact CD1-CD1 3.75Å; F177-L181 HydrophobicContact CD1-CG 4.42Å; F177-L181 HydrophobicContact CE1-CD1 3.17Å; F177-L181 HydrophobicContact CE1-CG 4.11Å; F177-L181 HydrophobicContact CE2-CD1 4.15Å; F177-L181 HydrophobicContact CE2-CG 4.32Å; F177-L181 HydrophobicContact CG-CD1 4.48Å; F177-L181 HydrophobicContact CZ-CD1 3.4Å; F177-L181 VanDerWaalsContact CZ-CD1 3.4Å; F177-L181 HydrophobicContact CZ-CD2 4.49Å; F177-L181 HydrophobicContact CZ-CG 4.05Å; F177-L181 PolarHBondContact O-N 3.21Å; L178-L181 PolarHBondContact O-N 3.32Å; L178-L181 VanDerWaalsContact O-N 3.17Å; L181-S184 PolarHBondContact O-N 3.31Å; L181-S184 VanDerWaalsContact O-N 3.16Å; L181-I185 HydrophobicContact CB-CD1 3.95Å; L181-I185 HydrophobicContact CB-CG1 4.41Å; L181-I185 HydrophobicContact CD1-CD1 4.24Å; L181-I185 HydrophobicContact CD2-CD1 4.3Å; L181-I185 HydrophobicContact CG-CD1 4.42Å; L181-I185 WeakPolarHBondContact O-CG1 3.43Å; L181-I185 PolarHBondContact O-N 3.27Å; L181-W194 HydrophobicContact CB-CZ3 4.21Å
182Q89.8Confident85.9Confident71 Ų7151 Ų5133%0.33228%0.284SS..Hα-helixtrans-50.9-55.5-170.1177.8178.6400113.3L178 S184 I185 E186 W194L178-Q182 PolarHBondContact O-N 2.85Å; Q182-S184 VanDerWaalsContact C-N 3.26Å; Q182-S184 PolarHBondContact O-N 3.31Å; Q182-I185 PolarHBondContact O-N 2.99Å; Q182-E186 HydrophobicContact CG-CG 4.23Å; Q182-E186 WeakPolarHBondContact CG-OE1 3.2Å; Q182-E186 PolarHBondContact NE2-OE1 3.1Å; Q182-E186 WeakPolarHBondContact O-CB 3.35Å; Q182-E186 WeakPolarHBondContact O-CG 3.43Å; Q182-E186 PolarHBondContact O-N 3.39Å; Q182-W194 HydrophobicContact CB-CD2 3.97Å; Q182-W194 HydrophobicContact CB-CE3 3.97Å; Q182-W194 HydrophobicContact CB-CH2 3.62Å; Q182-W194 HydrophobicContact CB-CZ2 3.64Å; Q182-W194 HydrophobicContact CB-CZ3 3.8Å; Q182-W194 HydrophobicContact CG-CD2 3.79Å; Q182-W194 HydrophobicContact CG-CE3 4.29Å; Q182-W194 HydrophobicContact CG-CG 4.19Å; Q182-W194 HydrophobicContact CG-CH2 4.3Å; Q182-W194 HydrophobicContact CG-CZ2 3.82Å
183P90.5Very high86.6Confident77 Ų7744.8 Ų44.850%0.526%0.261SS..Hα-helixtrans-62.1-38.1-175.4-2134000112S179 A187S179-P183 WeakPolarHBondContact O-CD 3.33Å; P183-A187 WeakPolarHBondContact O-CB 2.77Å; P183-A187 PolarHBondContact O-N 3.44Å
184S88.1Confident87.6Confident23 Ų2343.8 Ų43.816%0.16126%0.255CS..Hα-helixtrans-75.4-35.9-177-67.70000112.1D128 L181 Q182 M188D128-S184 PolarHBondContact OD2-OG 3.48Å; L181-S184 PolarHBondContact O-N 3.31Å; L181-S184 VanDerWaalsContact O-N 3.16Å; Q182-S184 VanDerWaalsContact C-N 3.26Å; Q182-S184 PolarHBondContact O-N 3.31Å; S184-M188 VanDerWaalsContact O-CB 3.31Å; S184-M188 WeakPolarHBondContact O-CB 3.37Å; S184-M188 WeakPolarHBondContact O-CG 3.4Å; S184-M188 PolarHBondContact O-N 3.21Å; S184-M188 VanDerWaalsContact O-N 3.09Å
185I88Confident88.3Confident0 Ų048.2 Ų48.20%028%0.279CS..Hα-helixtrans-70.5-46.3173.4-66.7-178.3000111V123 L181 Q182 A187 M188 C189 G190 A193 W194 V197V123-I185 HydrophobicContact CB-CG1 4.3Å; V123-I185 HydrophobicContact CG1-CG1 3.91Å; V123-I185 HydrophobicContact CG2-CG1 4.31Å; L181-I185 HydrophobicContact CB-CD1 3.95Å; L181-I185 HydrophobicContact CB-CG1 4.41Å; L181-I185 HydrophobicContact CD1-CD1 4.24Å; L181-I185 HydrophobicContact CD2-CD1 4.3Å; L181-I185 HydrophobicContact CG-CD1 4.42Å; L181-I185 WeakPolarHBondContact O-CG1 3.43Å; L181-I185 PolarHBondContact O-N 3.27Å; Q182-I185 PolarHBondContact O-N 2.99Å; I185-A187 VanDerWaalsContact C-N 3.31Å; I185-A187 PolarHBondContact O-N 3.36Å; I185-M188 PolarHBondContact O-N 3.17Å; I185-C189 HydrophobicContact CG2-CB 4.18Å; I185-C189 CarbonylContact O-C 3.28Å; I185-C189 WeakPolarHBondContact O-CA 3.29Å; I185-C189 WeakPolarHBondContact O-CB 3.49Å; I185-C189 PolarHBondContact O-N 3.31Å; I185-G190 PolarHBondContact O-N 3.26Å; I185-G190 VanDerWaalsContact O-N 3.11Å; I185-A193 HydrophobicContact CG2-CB 3.99Å; I185-W194 HydrophobicContact CB-CE3 4.42Å; I185-W194 HydrophobicContact CD1-CE3 4.22Å; I185-W194 HydrophobicContact CG2-CB 3.98Å; I185-V197 HydrophobicContact CD1-CB 4.42Å; I185-V197 HydrophobicContact CD1-CG1 4.24Å; I185-V197 HydrophobicContact CD1-CG2 4.07Å
186E93.2Very high88.7Confident67 Ų6745.9 Ų45.931%0.31327%0.266SS..Hα-helixtrans-60.5-42.4178.2-72.2177.7173.700111.2Q182 G190 W194Q182-E186 HydrophobicContact CG-CG 4.23Å; Q182-E186 WeakPolarHBondContact CG-OE1 3.2Å; Q182-E186 PolarHBondContact NE2-OE1 3.1Å; Q182-E186 WeakPolarHBondContact O-CB 3.35Å; Q182-E186 WeakPolarHBondContact O-CG 3.43Å; Q182-E186 PolarHBondContact O-N 3.39Å; E186-G190 VanDerWaalsContact O-CA 3.27Å; E186-G190 WeakPolarHBondContact O-CA 3.45Å; E186-G190 PolarHBondContact O-N 3Å; E186-W194 HydrophobicContact CG-CB 3.79Å; E186-W194 HydrophobicContact CG-CG 4.04Å
187A91.2Very high89.1Confident87 Ų8744.9 Ų44.972%0.71925%0.254SS*.Hα-helixtrans-69.3-36.9179.600000113.7P183 I185P183-A187 WeakPolarHBondContact O-CB 2.77Å; P183-A187 PolarHBondContact O-N 3.44Å; I185-A187 VanDerWaalsContact C-N 3.31Å; I185-A187 PolarHBondContact O-N 3.36Å
188M90.7Very high89.6Confident110 Ų11048.4 Ų48.454%0.54227%0.271SS..Hα-helixtrans-98-37.5-173.9-68.3-1775400114.1C119 R122 V123 S184 I185C119-M188 VanDerWaalsContact SG-C 3.58Å; C119-M188 PolarHBondContact SG-O 2.89Å; R122-M188 HydrophobicContact CB-CE 4.3Å; V123-M188 HydrophobicContact CG2-CB 3.83Å; V123-M188 HydrophobicContact CG2-CE 4.02Å; V123-M188 HydrophobicContact CG2-CG 4.24Å; V123-M188 HydrophobicContact CG2-SD 3.7Å; S184-M188 VanDerWaalsContact O-CB 3.31Å; S184-M188 WeakPolarHBondContact O-CB 3.37Å; S184-M188 WeakPolarHBondContact O-CG 3.4Å; S184-M188 PolarHBondContact O-N 3.21Å; S184-M188 VanDerWaalsContact O-N 3.09Å; I185-M188 PolarHBondContact O-N 3.17Å
189C91.5Very high89.7Confident20 Ų2051.6 Ų51.614%0.13528%0.284CS..Hα-helixtrans-114-14-171.3-48.20000112.8C119 I185 A193C119-C189 HydrophobicContact CB-CB 3.92Å; C119-C189 WeakPolarHBondContact CB-SG 3.47Å; C119-C189 WeakPolarHBondContact SG-CA 3.08Å; C119-C189 WeakPolarHBondContact SG-CB 3.33Å; C119-C189 CovalentContact SG-SG 2.04Å; C119-C189 PolarHBondContact SG-SG 3.46Å; I185-C189 HydrophobicContact CG2-CB 4.18Å; I185-C189 CarbonylContact O-C 3.28Å; I185-C189 WeakPolarHBondContact O-CA 3.29Å; I185-C189 WeakPolarHBondContact O-CB 3.49Å; I185-C189 PolarHBondContact O-N 3.31Å; C189-A193 HydrophobicContact CB-CB 3.47Å; C189-A193 VanDerWaalsContact CB-CB 3.47Å
190G93.2Very high89.6Confident28 Ų2848.6 Ų48.629%0.28926%0.262SS..  trans87.8165.717900000114I185 E186 R192 A193 W194I185-G190 PolarHBondContact O-N 3.26Å; I185-G190 VanDerWaalsContact O-N 3.11Å; E186-G190 VanDerWaalsContact O-CA 3.27Å; E186-G190 WeakPolarHBondContact O-CA 3.45Å; E186-G190 PolarHBondContact O-N 3Å; G190-R192 VanDerWaalsContact C-N 3.27Å; G190-R192 PolarHBondContact O-N 2.91Å; G190-A193 WeakPolarHBondContact O-CB 3.33Å; G190-A193 PolarHBondContact O-N 3.13Å; G190-A193 VanDerWaalsContact O-N 3.1Å; G190-W194 PolarHBondContact O-N 3.19Å
191N94.6Very high89.6Confident103 Ų10348 Ų4855%0.55126%0.258SS*.Hα-helixtrans-60.9-31.9-173.3-64.3-15.1000113.8A193 W194 N195N191-A193 VanDerWaalsContact C-N 3.34Å; N191-A193 PolarHBondContact O-N 2.82Å; N191-W194 PolarHBondContact O-N 3.08Å; N191-N195 PolarHBondContact O-N 3.13Å; N191-N195 PolarHBondContact O-OD1 3.28Å
192R93.3Very high89.6Confident146 Ų14651.7 Ų51.755%0.55128%0.276SS*.Hα-helixtrans-66.7-36.9178.1-173.4170.3178.7177.11.8111.9D112 Y116 G190 N195 L196D112-R192 VanDerWaalsContact CG-NH2 3.34Å; D112-R192 IonicContact OD1-CZ 3.83Å; D112-R192 IonicContact OD1-NH2 3.2Å; D112-R192 PolarHBondContact OD1-NH2 3.03Å; D112-R192 IonicContact OD2-CZ 3.09Å; D112-R192 IonicContact OD2-NE 2.84Å; D112-R192 PolarHBondContact OD2-NE 2.93Å; D112-R192 IonicContact OD2-NH2 2.66Å; D112-R192 PolarHBondContact OD2-NH2 2.9Å; Y116-R192 HydrophobicContact CE2-CB 4.39Å; Y116-R192 HydrophobicContact CE2-CG 3.97Å; Y116-R192 WeakPolarHBondContact OH-CB 3.38Å; Y116-R192 WeakPolarHBondContact OH-CD 3.46Å; G190-R192 VanDerWaalsContact C-N 3.27Å; G190-R192 PolarHBondContact O-N 2.91Å; R192-N195 PolarHBondContact O-N 2.92Å; R192-L196 PolarHBondContact O-N 3.02Å; R192-L196 VanDerWaalsContact O-N 3.12Å
193A90.1Very high89Confident0 Ų048.4 Ų48.40%026%0.26CS..Hα-helixtrans-65.8-40.3174.200000111.4Y116 I185 C189 G190 N191 L196 V197Y116-A193 HydrophobicContact CD1-CB 3.59Å; Y116-A193 HydrophobicContact CD2-CB 4.16Å; Y116-A193 HydrophobicContact CE1-CB 3.99Å; Y116-A193 HydrophobicContact CG-CB 3.69Å; I185-A193 HydrophobicContact CG2-CB 3.99Å; C189-A193 HydrophobicContact CB-CB 3.47Å; C189-A193 VanDerWaalsContact CB-CB 3.47Å; G190-A193 WeakPolarHBondContact O-CB 3.33Å; G190-A193 PolarHBondContact O-N 3.13Å; G190-A193 VanDerWaalsContact O-N 3.1Å; N191-A193 VanDerWaalsContact C-N 3.34Å; N191-A193 PolarHBondContact O-N 2.82Å; A193-L196 WeakPolarHBondContact O-CB 3.34Å; A193-L196 PolarHBondContact O-N 3.29Å; A193-V197 WeakPolarHBondContact O-CG2 3.12Å; A193-V197 PolarHBondContact O-N 2.86Å; A193-V197 VanDerWaalsContact O-N 3.15Å
194W92.8Very high88.2Confident8 Ų844.7 Ų44.73%0.0324%0.236CC..Hα-helixtrans-63.5-48.6174.9171.6-112.3000111.9L178 L181 Q182 I185 E186 G190 N191 L196 V197 E198L178-W194 HydrophobicContact CB-CH2 3.97Å; L178-W194 HydrophobicContact CD2-CH2 3.81Å; L178-W194 HydrophobicContact CD2-CZ3 4.13Å; L178-W194 HydrophobicContact CG-CH2 4.44Å; L178-W194 WeakPolarHBondContact O-CH2 3.32Å; L181-W194 HydrophobicContact CB-CZ3 4.21Å; Q182-W194 HydrophobicContact CB-CD2 3.97Å; Q182-W194 HydrophobicContact CB-CE3 3.97Å; Q182-W194 HydrophobicContact CB-CH2 3.62Å; Q182-W194 HydrophobicContact CB-CZ2 3.64Å; Q182-W194 HydrophobicContact CB-CZ3 3.8Å; Q182-W194 HydrophobicContact CG-CD2 3.79Å; Q182-W194 HydrophobicContact CG-CE3 4.29Å; Q182-W194 HydrophobicContact CG-CG 4.19Å; Q182-W194 HydrophobicContact CG-CH2 4.3Å; Q182-W194 HydrophobicContact CG-CZ2 3.82Å; I185-W194 HydrophobicContact CB-CE3 4.42Å; I185-W194 HydrophobicContact CD1-CE3 4.22Å; I185-W194 HydrophobicContact CG2-CB 3.98Å; E186-W194 HydrophobicContact CG-CB 3.79Å; E186-W194 HydrophobicContact CG-CG 4.04Å; G190-W194 PolarHBondContact O-N 3.19Å; N191-W194 PolarHBondContact O-N 3.08Å; W194-L196 PolarHBondContact O-N 2.89Å; W194-V197 HydrophobicContact CE3-CB 4.34Å; W194-V197 HydrophobicContact CE3-CG1 4.29Å; W194-V197 HydrophobicContact CZ3-CG1 4.04Å; W194-V197 CarbonylContact O-C 3.6Å; W194-V197 PolarHBondContact O-N 3.37Å; W194-E198 HydrophobicContact CZ2-CB 4.05Å; W194-E198 HydrophobicContact CZ2-CG 4.34Å; W194-E198 WeakPolarHBondContact O-CB 3.09Å; W194-E198 PolarHBondContact O-N 2.93Å
195N91.5Very high87.6Confident93 Ų9347.2 Ų47.250%0.49724%0.242SC..Hα-helixtrans-56.4-38.1178.6-69.1-12.7000112.1N191 R192 K199N191-N195 PolarHBondContact O-N 3.13Å; N191-N195 PolarHBondContact O-OD1 3.28Å; R192-N195 PolarHBondContact O-N 2.92Å; N195-K199 VanDerWaalsContact O-CB 3.31Å; N195-K199 WeakPolarHBondContact O-CB 3.12Å; N195-K199 PolarHBondContact O-N 2.87Å
196L89.3Confident87Confident6 Ų652.9 Ų52.93%0.03126%0.264CS..Hα-helixtrans-62-48.4174.8177.762.6000111.8Y104 L105 E109 D112 F113 Y116 R192 A193 W194 K199 F200Y104-L196 HydrophobicContact CE1-CD1 4.12Å; L105-L196 HydrophobicContact CD2-CD1 3.71Å; L105-L196 HydrophobicContact CD2-CG 4.3Å; E109-L196 HydrophobicContact CB-CD1 3.41Å; E109-L196 VanDerWaalsContact CB-CD1 3.41Å; E109-L196 HydrophobicContact CG-CD1 3.49Å; E109-L196 VanDerWaalsContact CG-CD1 3.49Å; D112-L196 HydrophobicContact CB-CD2 4.43Å; F113-L196 HydrophobicContact CB-CD2 4.02Å; F113-L196 HydrophobicContact CD2-CD2 4.07Å; Y116-L196 HydrophobicContact CD2-CD2 4.05Å; R192-L196 PolarHBondContact O-N 3.02Å; R192-L196 VanDerWaalsContact O-N 3.12Å; A193-L196 WeakPolarHBondContact O-CB 3.34Å; A193-L196 PolarHBondContact O-N 3.29Å; W194-L196 PolarHBondContact O-N 2.89Å; L196-K199 PolarHBondContact O-N 2.75Å; L196-F200 PolarHBondContact O-N 2.79Å
197V85.8Confident86Confident7 Ų750.2 Ų50.24%0.04225%0.252CS..Hα-helixtrans-64-46.3178170.10000111.2L6 I120 L178 I185 A193 W194 K199 F200 F201L6-V197 HydrophobicContact CD2-CG1 3.6Å; L6-V197 HydrophobicContact CD2-CG2 4.33Å; I120-V197 HydrophobicContact CD1-CG2 3.77Å; I120-V197 HydrophobicContact CG1-CG2 4.4Å; L178-V197 HydrophobicContact CD2-CG1 4.31Å; I185-V197 HydrophobicContact CD1-CB 4.42Å; I185-V197 HydrophobicContact CD1-CG1 4.24Å; I185-V197 HydrophobicContact CD1-CG2 4.07Å; A193-V197 WeakPolarHBondContact O-CG2 3.12Å; A193-V197 PolarHBondContact O-N 2.86Å; A193-V197 VanDerWaalsContact O-N 3.15Å; W194-V197 HydrophobicContact CE3-CB 4.34Å; W194-V197 HydrophobicContact CE3-CG1 4.29Å; W194-V197 HydrophobicContact CZ3-CG1 4.04Å; W194-V197 CarbonylContact O-C 3.6Å; W194-V197 PolarHBondContact O-N 3.37Å; V197-K199 VanDerWaalsContact C-N 3.34Å; V197-K199 PolarHBondContact O-N 2.02Å; V197-F200 WeakPolarHBondContact O-CB 2.91Å; V197-F200 PolarHBondContact O-N 3.41Å; V197-F201 HydrophobicContact CG1-CD2 4.06Å; V197-F201 HydrophobicContact CG1-CE2 3.91Å; V197-F201 WeakPolarHBondContact O-CD2 3.5Å; V197-F201 PolarHBondContact O-N 3.13Å
198E88.2Confident84.9Confident75 Ų7546.2 Ų46.235%0.3522%0.218SC..Hα-helixtrans-58.5-46.4178-176.3173.8-146.600111.2W194 F200 F201 E202W194-E198 HydrophobicContact CZ2-CB 4.05Å; W194-E198 HydrophobicContact CZ2-CG 4.34Å; W194-E198 WeakPolarHBondContact O-CB 3.09Å; W194-E198 PolarHBondContact O-N 2.93Å; E198-F200 PolarHBondContact O-N 3.02Å; E198-F201 CarbonylContact O-C 3.59Å; E198-F201 PolarHBondContact O-N 2.52Å; E198-E202 PolarHBondContact O-N 2.99Å
199K87Confident83.8Confident77 Ų7744 Ų4434%0.33521%0.208SC..Hα-helixtrans-66-37.2178.8-172.1159.2158.2-1480112.3Y104 E108 N195 L196 V197 F201 E202Y104-K199 HydrophobicContact CD1-CG 4.36Å; Y104-K199 HydrophobicContact CE1-CB 3.98Å; Y104-K199 HydrophobicContact CE1-CD 4.08Å; Y104-K199 HydrophobicContact CE1-CG 3.66Å; Y104-K199 HydrophobicContact CE2-CD 4Å; Y104-K199 HydrophobicContact CE2-CG 4.36Å; Y104-K199 VanDerWaalsContact CZ-CD 3.47Å; Y104-K199 VanDerWaalsContact CZ-NZ 3.3Å; Y104-K199 WeakPolarHBondContact OH-CD 3.15Å; Y104-K199 VanDerWaalsContact OH-CE 3.25Å; Y104-K199 WeakPolarHBondContact OH-CE 3.39Å; Y104-K199 PolarHBondContact OH-NZ 3.46Å; E108-K199 IonicContact OE2-NZ 2.89Å; E108-K199 PolarHBondContact OE2-NZ 2.98Å; N195-K199 VanDerWaalsContact O-CB 3.31Å; N195-K199 WeakPolarHBondContact O-CB 3.12Å; N195-K199 PolarHBondContact O-N 2.87Å; L196-K199 PolarHBondContact O-N 2.75Å; V197-K199 VanDerWaalsContact C-N 3.34Å; V197-K199 PolarHBondContact O-N 2.02Å; K199-F201 VanDerWaalsContact C-N 3.25Å; K199-F201 PolarHBondContact O-N 3.36Å; K199-E202 WeakPolarHBondContact O-CB 3.04Å; K199-E202 PolarHBondContact O-N 3.19Å; K199-E202 VanDerWaalsContact O-N 3.07Å
200F85.2Confident82.5Confident9 Ų945.5 Ų45.54%0.03922%0.222CC..Hα-helixtrans-56.5-38.8172.6171.4-103.6000112.6Y102 L105 L196 V197 E198Y102-F200 AromaticContact CD1-CE2 3.95Å; Y102-F200 HydrophobicContact CD1-CE2 3.95Å; Y102-F200 HydrophobicContact CD1-CZ 4.4Å; Y102-F200 AromaticContact CE1-CE2 3.9Å; Y102-F200 HydrophobicContact CE1-CE2 3.9Å; Y102-F200 AromaticContact CE1-CZ 3.88Å; Y102-F200 HydrophobicContact CE1-CZ 3.88Å; Y102-F200 HydrophobicContact CG-CE2 4.38Å; Y102-F200 AromaticContact CZ-CZ 3.95Å; L105-F200 HydrophobicContact CD1-CD2 3.29Å; L105-F200 HydrophobicContact CD1-CE2 3.52Å; L105-F200 HydrophobicContact CD1-CG 4.09Å; L105-F200 HydrophobicContact CD1-CZ 4.48Å; L105-F200 HydrophobicContact CD2-CD2 4.4Å; L105-F200 HydrophobicContact CG-CD2 3.67Å; L105-F200 HydrophobicContact CG-CE2 4.26Å; L105-F200 HydrophobicContact CG-CG 4.49Å; L196-F200 PolarHBondContact O-N 2.79Å; V197-F200 WeakPolarHBondContact O-CB 2.91Å; V197-F200 PolarHBondContact O-N 3.41Å; E198-F200 PolarHBondContact O-N 3.02Å
201F83.4Confident80.9Confident1 Ų144.4 Ų44.40%0.00421%0.21CC..Hα-helixtrans-89-5177-69-70.9000114.6L6 I9 L174 F177 L178 V197 E198 K199 G203 A204 R205L6-F201 HydrophobicContact CB-CZ 4.42Å; L6-F201 HydrophobicContact CD2-CE2 3.45Å; L6-F201 VanDerWaalsContact CD2-CE2 3.45Å; L6-F201 HydrophobicContact CD2-CZ 3.83Å; L6-F201 VanDerWaalsContact O-CZ 3.3Å; L6-F201 WeakPolarHBondContact O-CZ 3.5Å; I9-F201 HydrophobicContact CB-CE1 3.87Å; I9-F201 HydrophobicContact CD1-CE1 4.43Å; I9-F201 HydrophobicContact CG2-CE1 4.35Å; L174-F201 HydrophobicContact CD1-CB 4.03Å; L174-F201 HydrophobicContact CD1-CD1 3.34Å; L174-F201 HydrophobicContact CD1-CE1 3.88Å; L174-F201 HydrophobicContact CD1-CG 3.71Å; F177-F201 HydrophobicContact CE1-CZ 4.31Å; L178-F201 HydrophobicContact CD1-CB 4Å; L178-F201 HydrophobicContact CD1-CG 4.47Å; L178-F201 HydrophobicContact CD2-CB 4.34Å; L178-F201 HydrophobicContact CD2-CD2 3.49Å; L178-F201 VanDerWaalsContact CD2-CD2 3.49Å; L178-F201 HydrophobicContact CD2-CE2 3.98Å; L178-F201 HydrophobicContact CD2-CG 4.1Å; L178-F201 HydrophobicContact CG-CD2 4.45Å; V197-F201 HydrophobicContact CG1-CD2 4.06Å; V197-F201 HydrophobicContact CG1-CE2 3.91Å; V197-F201 WeakPolarHBondContact O-CD2 3.5Å; V197-F201 PolarHBondContact O-N 3.13Å; E198-F201 CarbonylContact O-C 3.59Å; E198-F201 PolarHBondContact O-N 2.52Å; K199-F201 VanDerWaalsContact C-N 3.25Å; K199-F201 PolarHBondContact O-N 3.36Å; F201-G203 PolarHBondContact O-N 3.49Å; F201-A204 WeakPolarHBondContact O-CB 2.96Å; F201-A204 PolarHBondContact O-N 3.12Å; F201-R205 VanDerWaalsContact O-CG 3.3Å; F201-R205 WeakPolarHBondContact O-CG 3.47Å; F201-R205 PolarHBondContact O-N 3.49Å
202E83.8Confident79Confident78 Ų7839.8 Ų39.836%0.36419%0.185SC..Hα-helixtrans-62.9-44.6-180-164.4-167.3149.900110.9E198 K199 A204 R205 R206E198-E202 PolarHBondContact O-N 2.99Å; K199-E202 WeakPolarHBondContact O-CB 3.04Å; K199-E202 PolarHBondContact O-N 3.19Å; K199-E202 VanDerWaalsContact O-N 3.07Å; E202-A204 PolarHBondContact O-N 3.22Å; E202-R205 PolarHBondContact O-N 3.28Å; E202-R205 VanDerWaalsContact O-N 3.16Å; E202-R206 WeakPolarHBondContact O-CG 3.47Å; E202-R206 PolarHBondContact O-N 3.38Å; E202-R206 IonicContact OE1-CZ 2.78Å; E202-R206 IonicContact OE1-NH1 2.77Å; E202-R206 PolarHBondContact OE1-NH1 3.2Å
203G77.2Confident77Confident1 Ų140 Ų401%0.0119%0.19CC..Hα-helixtrans-61.3-45.5177.700000112.5E100 F201 R205 R206 I207E100-G203 WeakPolarHBondContact OE2-CA 3.46Å; F201-G203 PolarHBondContact O-N 3.49Å; G203-R205 PolarHBondContact O-N 3.28Å; G203-R206 PolarHBondContact O-N 2.86Å; G203-I207 WeakPolarHBondContact O-CD1 3.05Å; G203-I207 VanDerWaalsContact O-CG1 3.28Å; G203-I207 WeakPolarHBondContact O-CG1 3.35Å; G203-I207 PolarHBondContact O-N 3.25Å
204A74.3Confident75.2Confident0 Ų046.2 Ų46.20%021%0.214CC..Hα-helixtrans-51.4-51.5170.100000112.4I13 F97 L174 F201 E202 R206 I207 L208I13-A204 HydrophobicContact CD1-CB 3.14Å; F97-A204 HydrophobicContact CD2-CB 4.3Å; F97-A204 HydrophobicContact CE2-CB 4.03Å; L174-A204 HydrophobicContact CD2-CB 3.98Å; F201-A204 WeakPolarHBondContact O-CB 2.96Å; F201-A204 PolarHBondContact O-N 3.12Å; E202-A204 PolarHBondContact O-N 3.22Å; A204-R206 PolarHBondContact O-N 3.01Å; A204-I207 PolarHBondContact O-N 3.27Å; A204-L208 VanDerWaalsContact O-CG 3.31Å; A204-L208 WeakPolarHBondContact O-CG 3.29Å; A204-L208 PolarHBondContact O-N 3.39Å
205R76.2Confident73.1Confident76 Ų7648.1 Ų48.129%0.28722%0.221SC..Hα-helixtrans-62-44.3179.1-71.3174.176-158.5-1111.6L171 L174 N175 F201 E202 G203 I207 L208 L209L171-R205 HydrophobicContact CD1-CB 4.38Å; L171-R205 HydrophobicContact CD1-CG 4.23Å; L174-R205 HydrophobicContact CD2-CG 3.52Å; L174-R205 HydrophobicContact CG-CG 4.24Å; N175-R205 PolarHBondContact OD1-NE 2.72Å; F201-R205 VanDerWaalsContact O-CG 3.3Å; F201-R205 WeakPolarHBondContact O-CG 3.47Å; F201-R205 PolarHBondContact O-N 3.49Å; E202-R205 PolarHBondContact O-N 3.28Å; E202-R205 VanDerWaalsContact O-N 3.16Å; G203-R205 PolarHBondContact O-N 3.28Å; R205-I207 PolarHBondContact O-N 3.34Å; R205-L208 PolarHBondContact O-N 2.76Å; R205-L209 WeakPolarHBondContact O-CB 3.42Å; R205-L209 VanDerWaalsContact O-CG 3.26Å; R205-L209 WeakPolarHBondContact O-CG 3.35Å; R205-L209 PolarHBondContact O-N 3.3Å
206R75.5Confident70.9Confident118 Ų11850.1 Ų50.145%0.44523%0.227SC..Hα-helixtrans-61.9-43.6179.6-73.6-168.3-61-14410.8111.7E100 E202 G203 A204 L209 A210E100-R206 IonicContact OE1-NH2 3.63Å; E100-R206 IonicContact OE2-CZ 3.82Å; E100-R206 IonicContact OE2-NE 2.8Å; E100-R206 PolarHBondContact OE2-NE 3.42Å; E100-R206 IonicContact OE2-NH2 3.4Å; E100-R206 PolarHBondContact OE2-NH2 2.96Å; E202-R206 WeakPolarHBondContact O-CG 3.47Å; E202-R206 PolarHBondContact O-N 3.38Å; E202-R206 IonicContact OE1-CZ 2.78Å; E202-R206 IonicContact OE1-NH1 2.77Å; E202-R206 PolarHBondContact OE1-NH1 3.2Å; G203-R206 PolarHBondContact O-N 2.86Å; A204-R206 PolarHBondContact O-N 3.01Å; R206-L209 PolarHBondContact O-N 3.38Å; R206-A210 VanDerWaalsContact O-CB 3.25Å; R206-A210 WeakPolarHBondContact O-CB 3.32Å; R206-A210 PolarHBondContact O-N 2.05Å
207I70.9Confident68.9Low12 Ų1256.8 Ų56.86%0.06226%0.263CS..Hα-helixtrans-63.2-46.5178.4-67.9165.7000110.6I13 K93 K96 F97 G203 A204 R205I13-I207 HydrophobicContact CG2-CB 4.41Å; I13-I207 HydrophobicContact CG2-CG2 3.85Å; K93-I207 HydrophobicContact CB-CG2 4.06Å; K93-I207 HydrophobicContact CD-CG2 4.19Å; K93-I207 HydrophobicContact CG-CG2 4.04Å; K96-I207 HydrophobicContact CB-CD1 3.91Å; K96-I207 HydrophobicContact CB-CG1 4.43Å; F97-I207 VanDerWaalsContact CA-CD1 3.43Å; F97-I207 HydrophobicContact CB-CD1 3.57Å; F97-I207 HydrophobicContact CD2-CD1 4.46Å; F97-I207 VanDerWaalsContact N-CD1 3.34Å; G203-I207 WeakPolarHBondContact O-CD1 3.05Å; G203-I207 VanDerWaalsContact O-CG1 3.28Å; G203-I207 WeakPolarHBondContact O-CG1 3.35Å; G203-I207 PolarHBondContact O-N 3.25Å; A204-I207 PolarHBondContact O-N 3.27Å; R205-I207 PolarHBondContact O-N 3.34Å
208L68Low66.9Low2 Ų263.4 Ų63.41%0.0129%0.291CS..Hα-helixtrans-64.9-40.2177-67.6172.2000112.4I13 Q167 L170 L171 L174 A204 R205 C212I13-L208 HydrophobicContact CD1-CD1 3.83Å; I13-L208 HydrophobicContact CD1-CG 4.14Å; I13-L208 HydrophobicContact CG1-CD1 4.14Å; I13-L208 HydrophobicContact CG1-CD2 4.29Å; I13-L208 HydrophobicContact CG1-CG 4.28Å; I13-L208 HydrophobicContact CG2-CD2 4.41Å; Q167-L208 HydrophobicContact CB-CD2 4.28Å; Q167-L208 HydrophobicContact CG-CD2 4.21Å; L170-L208 HydrophobicContact CB-CD1 4.02Å; L170-L208 HydrophobicContact CB-CD2 4.05Å; L170-L208 HydrophobicContact CD1-CD2 4.12Å; L171-L208 HydrophobicContact CB-CB 4.4Å; L171-L208 HydrophobicContact CB-CD1 4.42Å; L171-L208 HydrophobicContact CD1-CB 4.4Å; L174-L208 HydrophobicContact CD2-CD1 4.25Å; A204-L208 VanDerWaalsContact O-CG 3.31Å; A204-L208 WeakPolarHBondContact O-CG 3.29Å; A204-L208 PolarHBondContact O-N 3.39Å; R205-L208 PolarHBondContact O-N 2.76Å; L208-C212 PolarHBondContact O-N 3.43Å; L208-C212 PolarHBondContact O-SG 3.31Å
209L67.7Low64.5Low65 Ų6569.9 Ų69.934%0.3432%0.318SS..Hα-helixtrans-71.5-40-179.7-81.4168.5000113.6L171 R205 R206 D211 C212 K213L171-L209 HydrophobicContact CD1-CG 4.22Å; L171-L209 HydrophobicContact CD2-CD2 3.42Å; L171-L209 VanDerWaalsContact CD2-CD2 3.42Å; L171-L209 HydrophobicContact CD2-CG 3.83Å; R205-L209 WeakPolarHBondContact O-CB 3.42Å; R205-L209 VanDerWaalsContact O-CG 3.26Å; R205-L209 WeakPolarHBondContact O-CG 3.35Å; R205-L209 PolarHBondContact O-N 3.3Å; R206-L209 PolarHBondContact O-N 3.38Å; L209-D211 PolarHBondContact O-N 2.04Å; L209-C212 PolarHBondContact O-N 3.47Å; L209-K213 PolarHBondContact O-N 2.76Å
210A63.8Low62.2Low51 Ų5171 Ų7142%0.42132%0.32SS..Hα-helixtrans-58.6-33.4-178.300000111.6R206 R214R206-A210 VanDerWaalsContact O-CB 3.25Å; R206-A210 WeakPolarHBondContact O-CB 3.32Å; R206-A210 PolarHBondContact O-N 2.05Å; A210-R214 WeakPolarHBondContact O-CB 3.4Å
211D59.5Low60Low5 Ų574.6 Ų74.63%0.02734%0.343CS..Hα-helixtrans-78.3-35.7174.4-69.8-33.6000113.6K93 Q167 L209 R214 R215K93-D211 WeakPolarHBondContact CE-OD1 3.36Å; K93-D211 WeakPolarHBondContact CE-OD2 3.26Å; K93-D211 IonicContact NZ-OD1 2.72Å; K93-D211 PolarHBondContact NZ-OD1 2.7Å; K93-D211 IonicContact NZ-OD2 2.55Å; K93-D211 PolarHBondContact NZ-OD2 3.47Å; Q167-D211 PolarHBondContact NE2-OD2 3.5Å; L209-D211 PolarHBondContact O-N 2.04Å; D211-R214 PolarHBondContact O-N 3.2Å; D211-R215 WeakPolarHBondContact O-CG 3.3Å; D211-R215 PolarHBondContact O-N 3.29Å
212C55.6Low57.9Low6 Ų683.1 Ų83.14%0.04138%0.383CS..Hα-helixtrans-61.3-52.4177.9-67.40000111.1L164 L168 L208 L209 R214 R215 E216L164-C212 HydrophobicContact CD1-CB 4.27Å; L168-C212 HydrophobicContact CD2-CB 4.15Å; L168-C212 VanDerWaalsContact CD2-SG 3.53Å; L208-C212 PolarHBondContact O-N 3.43Å; L208-C212 PolarHBondContact O-SG 3.31Å; L209-C212 PolarHBondContact O-N 3.47Å; C212-R214 VanDerWaalsContact C-N 3.32Å; C212-R214 PolarHBondContact O-N 3.19Å; C212-R215 PolarHBondContact O-N 3.02Å; C212-R215 VanDerWaalsContact O-N 3.1Å; C212-E216 PolarHBondContact O-N 3.36Å; C212-E216 VanDerWaalsContact O-N 3.12Å
213K52Low55.9Low150 Ų15082.9 Ų82.965%0.65239%0.39SS*.Hα-helixtrans-58.9-42.1179.4-73.1-174.4178.8-179.20112.4L209 R215 E216L209-K213 PolarHBondContact O-N 2.76Å; K213-R215 PolarHBondContact O-N 3.47Å; K213-E216 PolarHBondContact O-N 2.75Å
214R51.6Low54.3Low131 Ų13185.5 Ų85.549%0.49440%0.404SS..Hα-helixtrans-66.1-21-179.3-165-175.6-67.2153-3.1112.9A210 D211 C212A210-R214 WeakPolarHBondContact O-CB 3.4Å; D211-R214 PolarHBondContact O-N 3.2Å; C212-R214 VanDerWaalsContact C-N 3.32Å; C212-R214 PolarHBondContact O-N 3.19Å
215R49.1Very low52.5Low47 Ų4790.7 Ų90.718%0.17743%0.431CS..Hα-helixtrans-98.8-20.2179-69.9-173.1-177.5-132.6-1114L164 D211 C212 K213 D217 K218 W220L164-R215 HydrophobicContact CD1-CB 3.95Å; L164-R215 HydrophobicContact CD2-CB 3.98Å; L164-R215 HydrophobicContact CG-CB 4.42Å; D211-R215 WeakPolarHBondContact O-CG 3.3Å; D211-R215 PolarHBondContact O-N 3.29Å; C212-R215 PolarHBondContact O-N 3.02Å; C212-R215 VanDerWaalsContact O-N 3.1Å; K213-R215 PolarHBondContact O-N 3.47Å; R215-D217 PolarHBondContact O-N 3.19Å; R215-K218 WeakPolarHBondContact O-CA 3.47Å; R215-K218 WeakPolarHBondContact O-CB 3.28Å; R215-K218 PolarHBondContact O-N 3.03Å; R215-W220 PolarHBondContact O-NE1 2.9Å
216E45.2Very low50.6Low136 Ų13690.5 Ų90.564%0.63645%0.452SS*.Hα-helixtrans-63.1-28.2168.4-74.4-177.1162.700111.8C212 K213 K218C212-E216 PolarHBondContact O-N 3.36Å; C212-E216 VanDerWaalsContact O-N 3.12Å; K213-E216 PolarHBondContact O-N 2.75Å; E216-K218 CarbonylContact O-C 3.57Å; E216-K218 PolarHBondContact O-N 3.3Å; E216-K218 VanDerWaalsContact O-N 3.13Å
217D47.6Very low48.7Very low145 Ų14591.8 Ų91.878%0.77546%0.463SS*.THydrogen-bonded Turntrans-60.7-19.3170-70.1-27.1000112.9R215R215-D217 PolarHBondContact O-N 3.19Å
218K43.5Very low47.1Very low147 Ų14793.3 Ų93.364%0.63947%0.471SS*.SBendtrans-87.7106.4165.5-61-176.3176.9-176.50107.3R215 E216 W220R215-K218 WeakPolarHBondContact O-CA 3.47Å; R215-K218 WeakPolarHBondContact O-CB 3.28Å; R215-K218 PolarHBondContact O-N 3.03Å; E216-K218 CarbonylContact O-C 3.57Å; E216-K218 PolarHBondContact O-N 3.3Å; E216-K218 VanDerWaalsContact O-N 3.13Å; K218-W220 PolarHBondContact O-N 2.93Å; K218-W220 PolarHBondContact O-NE1 3.25Å
219K36.8Very low45.7Very low210 Ų21095.1 Ų95.191%0.91348%0.483SS*.  trans-48.3107.8175.2-78.4179.5175.5177.80110.9
220W39.3Very low44.1Very low100 Ų10099.6 Ų99.638%0.37950%0.496SS..  trans-83.7139.5168.3-67.185.4000109.4N162 L164 R215 K218 D224N162-W220 WeakPolarHBondContact OD1-CH2 3.47Å; L164-W220 HydrophobicContact CB-CZ2 4.05Å; L164-W220 HydrophobicContact CD2-CD2 4.33Å; L164-W220 HydrophobicContact CD2-CH2 4.42Å; L164-W220 HydrophobicContact CD2-CZ2 3.45Å; L164-W220 VanDerWaalsContact CD2-CZ2 3.45Å; L164-W220 VanDerWaalsContact CD2-NE1 3.28Å; L164-W220 HydrophobicContact CG-CZ2 4.39Å; R215-W220 PolarHBondContact O-NE1 2.9Å; K218-W220 PolarHBondContact O-N 2.93Å; K218-W220 PolarHBondContact O-NE1 3.25Å; W220-D224 HydrophobicContact CE3-CB 3.57Å; W220-D224 HydrophobicContact CZ3-CB 4.11Å
221T38.2Very low42.8Very low85 Ų85103.6 Ų103.652%0.52151%0.506SS..  trans-87.2150.5172.335.30000110.1S223 D224T221-S223 PolarHBondContact O-N 2.86Å; T221-S223 PolarHBondContact OG1-OG 2.89Å; T221-D224 PolarHBondContact N-OD2 3.39Å; T221-D224 WeakPolarHBondContact O-CB 3.36Å; T221-D224 PolarHBondContact O-N 3.19Å; T221-D224 PolarHBondContact OG1-OD2 3.03Å
222Q39.6Very low41.7Very low181 Ų181105.1 Ų105.185%0.84652%0.517SS*.Hα-helixtrans-55.7-21.7177.7-105.5167.8-25.700113.6D224 L225 G226Q222-D224 PolarHBondContact O-N 2.95Å; Q222-L225 PolarHBondContact O-N 3.37Å; Q222-G226 PolarHBondContact O-N 3.43Å
223S42.1Very low40.8Very low73 Ų73107 Ų10751%0.5153%0.529SS..Hα-helixtrans-60.1-33.7171.557.50000112.8T221T221-S223 PolarHBondContact O-N 2.86Å; T221-S223 PolarHBondContact OG1-OG 2.89Å
224D43.6Very low40Very low56 Ų56104.4 Ų104.430%0.29952%0.522SS..Hα-helixtrans-77.8-30.4-173-50.1-40.6000111.4W220 T221 Q222W220-D224 HydrophobicContact CE3-CB 3.57Å; W220-D224 HydrophobicContact CZ3-CB 4.11Å; T221-D224 PolarHBondContact N-OD2 3.39Å; T221-D224 WeakPolarHBondContact O-CB 3.36Å; T221-D224 PolarHBondContact O-N 3.19Å; T221-D224 PolarHBondContact OG1-OD2 3.03Å; Q222-D224 PolarHBondContact O-N 2.95Å
225L37.7Very low39.1Very low108 Ų108104.3 Ų104.357%0.56553%0.527SS*.Hα-helixtrans-78.7-33.9174.9-74.4163.1000112.2Q222 Q227 M228Q222-L225 PolarHBondContact O-N 3.37Å; L225-Q227 PolarHBondContact O-N 3.2Å; L225-M228 HydrophobicContact CD2-SD 4.26Å; L225-M228 PolarHBondContact O-N 2.84Å
226G34.5Very low38.2Very low72 Ų72107.9 Ų107.974%0.74255%0.55SS**Hα-helixtrans-69.2-16.1-177.300000115Q222Q222-G226 PolarHBondContact O-N 3.43Å
227Q37.1Very low37.3Very low145 Ų145105.5 Ų105.568%0.67855%0.545SS*.THydrogen-bonded Turntrans-101.714.2176.9-83179.2-28.900113.7L225 P229L225-Q227 PolarHBondContact O-N 3.2Å; Q227-P229 WeakPolarHBondContact O-CD 3.48Å; Q227-P229 VanDerWaalsContact O-N 3.17Å
228M37.6Very low36.4Very low44 Ų44110.3 Ų110.322%0.21757%0.57CS.*  trans-64.4111172.7-80.2-173.976.200110.5L225 Y230L225-M228 HydrophobicContact CD2-SD 4.26Å; L225-M228 PolarHBondContact O-N 2.84Å; M228-Y230 PolarHBondContact O-N 2.81Å
229P37.2Very low36.1Very low41 Ų41108.5 Ų108.527%0.26657%0.567SS.*  trans-83.994.2177.611.47.5000107.6F158 Q227 Q231 C232F158-P229 HydrophobicContact CD1-CG 4.4Å; F158-P229 HydrophobicContact CE1-CG 4.25Å; Q227-P229 WeakPolarHBondContact O-CD 3.48Å; Q227-P229 VanDerWaalsContact O-N 3.17Å; P229-Q231 HydrophobicContact CB-CB 4.4Å; P229-Q231 PolarHBondContact O-N 3.46Å; P229-Q231 VanDerWaalsContact O-N 3.1Å; P229-C232 HydrophobicContact CB-CB 4.5Å; P229-C232 PolarHBondContact O-N 2.83Å
230Y34Very low36Very low159 Ų159103.1 Ų103.162%0.62455%0.549SS*.THydrogen-bonded Turntrans-50.4-24.1155.8-99.3-93.5000111.3M228 C232 C233M228-Y230 PolarHBondContact O-N 2.81Å; Y230-C232 VanDerWaalsContact C-N 3.3Å; Y230-C232 PolarHBondContact O-N 3.19Å; Y230-C233 PolarHBondContact O-N 2.94Å
231Q36.7Very low35.9Very low135 Ų135103.3 Ų103.363%0.63156%0.558SS**Hα-helixtrans-62.8-26.6173.6-80.8170.3-37.800114.4P229 C233 L234 Q235P229-Q231 HydrophobicContact CB-CB 4.4Å; P229-Q231 PolarHBondContact O-N 3.46Å; P229-Q231 VanDerWaalsContact O-N 3.1Å; Q231-C233 PolarHBondContact O-N 2.77Å; Q231-L234 PolarHBondContact O-N 3.23Å; Q231-Q235 WeakPolarHBondContact O-CG 3.23Å; Q231-Q235 PolarHBondContact O-N 3.32Å
232C37.2Very low35.7Very low37 Ų37104.4 Ų104.425%0.2556%0.56CS.*Hα-helixtrans-63.7-21.1176.2-860000113C155 P229 Y230C155-C232 HydrophobicContact CB-CB 3.98Å; C155-C232 WeakPolarHBondContact CB-SG 3.03Å; C155-C232 VanDerWaalsContact SG-CA 3.5Å; C155-C232 WeakPolarHBondContact SG-CB 3.37Å; C155-C232 CovalentContact SG-SG 2.05Å; C155-C232 PolarHBondContact SG-SG 3.04Å; P229-C232 HydrophobicContact CB-CB 4.5Å; P229-C232 PolarHBondContact O-N 2.83Å; Y230-C232 VanDerWaalsContact C-N 3.3Å; Y230-C232 PolarHBondContact O-N 3.19Å
233C37.3Very low35.5Very low44 Ų4499.6 Ų99.630%0.29754%0.543SS..Hα-helixtrans-104.4-19-177.8-63.40000114.4M169 Y230 Q231M169-C233 PolarHBondContact SD-SG 3.38Å; Y230-C233 PolarHBondContact O-N 2.94Å; Q231-C233 PolarHBondContact O-N 2.77Å
234L34Very low35Very low96 Ų96101.3 Ų101.350%0.50355%0.545SS..Hα-helixtrans-107.8-3.1-172.6-71.1171.9000114.3Q231 N236Q231-L234 PolarHBondContact O-N 3.23Å; L234-N236 PolarHBondContact O-N 3.43Å
235Q32Very low34.4Very low129 Ų129104.6 Ų104.660%0.60356%0.562SS**THydrogen-bonded Turntrans-75.117.9-174.2-88.7-172.3-17.800116.6Q231Q231-Q235 WeakPolarHBondContact O-CG 3.23Å; Q231-Q235 PolarHBondContact O-N 3.32Å
236N30.9Very low34.2Very low123 Ų123104.3 Ų104.366%0.65856%0.562SS**THydrogen-bonded Turntrans-128.638170.8-81.3-33.3000112.7L234L234-N236 PolarHBondContact O-N 3.43Å
237T26.6Very low34.2Very low86 Ų86107 Ų10753%0.52855%0.547SS..  trans-122.674162.154.30000109.4
238D29.3Very low33.9Very low245 Ų245103.5 Ų103.5100%1.3154%0.535SS*.  trans-152.60145.6-83.5-34.5000108.2

Retrieved 238 of 238 residues in 56.2 ms (Link to these results)

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