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PHD finger protein 13

Acts as a negative regulator of autophagy. Modulates chromatin structure and DNA damage response by regulating key determinants of chromatin compaction and DNA damage response. Binds H3K4me3-containing chromatin and promotes DNA condensation by recruiting corepressors such as TRIM28 and H3K9 methyltransferase SETDB1. Required for normal chromosome condensation during the early stages of mitosis. Required for normal chromosome separation during mitosis. Increases both chromatin-associated levels and activity of H3K9 methyltransferases, such as SETDB1, thus enhancing H3K9 trimethylation. Essential for testicular stem-cell differentiation and sustained spermatogenesis.

AlphaFold DB , UniProt , Accession A0A060XFH6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110500671, Length 326 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
1M48.8Very low49.5Very low224 Ų224138.7 Ų138.7100%1.10371%0.71SS**  07.90-144178.5-78.800113.4
2L53.3Low49.3Very low159 Ų159138.1 Ų138.183%0.83271%0.708SS**  trans-107.8-6.5177.2-82.1152000113.6
3E50.6Low49.3Very low160 Ų160136.2 Ų136.275%0.74870%0.699SS**SBendtrans-82.1-24.4-176.4-83.1166.1138.400114.1M5 S6E3-M5 VanDerWaalsContact C-N 3.27Å; E3-M5 PolarHBondContact O-N 3.17Å; E3-S6 PolarHBondContact O-N 3.37Å
4I53.2Low48.7Very low132 Ų132139.4 Ų139.468%0.67771%0.706SS**Hα-helixtrans-73.9-21.2-175.1-53.8169.4000111.7
5M49.5Very low47.9Very low158 Ų158136.9 Ų136.978%0.77871%0.705SS**Hα-helixtrans-86.4-9.2176.9-67.1-168.872.500113.8E3E3-M5 VanDerWaalsContact C-N 3.27Å; E3-M5 PolarHBondContact O-N 3.17Å
6S54.5Low47.3Very low70 Ų70139.4 Ų139.449%0.4971%0.709SS.*Hα-helixtrans-86.4-37.9179-156.60000111.8E3 H8 Q9 D10E3-S6 PolarHBondContact O-N 3.37Å; S6-H8 VanDerWaalsContact C-N 3.3Å; S6-H8 PolarHBondContact O-N 2.86Å; S6-Q9 PolarHBondContact O-N 3.26Å; S6-Q9 VanDerWaalsContact O-N 3.13Å; S6-D10 PolarHBondContact O-N 3.01Å
7E47.2Very low47.1Very low144 Ų144138.9 Ų138.967%0.67371%0.714SS**Hα-helixtrans-66.4-28.7-177.8-73.9176.694.200113.6
8H46.9Very low46.5Very low154 Ų154139.3 Ų139.371%0.71372%0.718SS**Hα-helixtrans-74.1-25.1175.4-109.876.9000113.4S6S6-H8 VanDerWaalsContact C-N 3.3Å; S6-H8 PolarHBondContact O-N 2.86Å
9Q48.2Very low46.4Very low132 Ų132138.1 Ų138.162%0.61772%0.718SS**Hα-helixtrans-79.7-36.1175.8-80.9-151.527.900112.5S6 S11 L12 L13S6-Q9 PolarHBondContact O-N 3.26Å; S6-Q9 VanDerWaalsContact O-N 3.13Å; Q9-S11 VanDerWaalsContact C-N 3.27Å; Q9-S11 PolarHBondContact O-N 3.39Å; Q9-L12 PolarHBondContact O-N 2.98Å; Q9-L12 VanDerWaalsContact O-N 3.17Å; Q9-L13 WeakPolarHBondContact O-CG 3.44Å; Q9-L13 PolarHBondContact O-N 3.08Å; Q9-L13 VanDerWaalsContact O-N 3.13Å
10D44.5Very low46.6Very low102 Ų102138.9 Ų138.955%0.54572%0.722SS.*Hα-helixtrans-65-31.9178-82-62.9000112.6S6 L13 K14S6-D10 PolarHBondContact O-N 3.01Å; D10-L13 PolarHBondContact O-N 3.37Å; D10-K14 PolarHBondContact O-N 3.36Å
11S47.9Very low46.6Very low91 Ų91137.5 Ų137.564%0.63672%0.722SS**Hα-helixtrans-73.8-24.1176.3-152.40000113.4Q9Q9-S11 VanDerWaalsContact C-N 3.27Å; Q9-S11 PolarHBondContact O-N 3.39Å
12L46.6Very low46.8Very low131 Ų131131.8 Ų131.869%0.68670%0.701SS**Hα-helixtrans-83.3-27.8173.9-73.3-176.1000112.9Q9Q9-L12 PolarHBondContact O-N 2.98Å; Q9-L12 VanDerWaalsContact O-N 3.17Å
13L49.3Very low47Very low113 Ų113133.4 Ų133.459%0.59271%0.705SS**Hα-helixtrans-78.9-22.3178-67.2174000113.1Q9 D10 C15Q9-L13 WeakPolarHBondContact O-CG 3.44Å; Q9-L13 PolarHBondContact O-N 3.08Å; Q9-L13 VanDerWaalsContact O-N 3.13Å; D10-L13 PolarHBondContact O-N 3.37Å; L13-C15 PolarHBondContact O-N 3.5Å
14K41.1Very low47.3Very low182 Ų182137 Ų13779%0.79171%0.711SS**G310 helixtrans-73.1-14.3173.6-155.3110.5176.8-171.10113.8D10 K16D10-K14 PolarHBondContact O-N 3.36Å; K14-K16 VanDerWaalsContact C-N 3.29Å; K14-K16 PolarHBondContact O-N 3.24Å
15C36.3Very low48.2Very low102 Ų102140 Ų14069%0.68971%0.714SS**G310 helixtrans-90.312.8-179.4-145.10000113.8L13L13-C15 PolarHBondContact O-N 3.5Å
16K39.6Very low49.5Very low176 Ų176141.2 Ų141.277%0.76572%0.715SS**G310 helixtrans-111.329.8174.1-90.7173.5171.6170.20112.8K14K14-K16 VanDerWaalsContact C-N 3.29Å; K14-K16 PolarHBondContact O-N 3.24Å
17T43.8Very low51Low132 Ų132149 Ų14981%0.8173%0.734SS**  trans-155.556.5157.6-46.20000109.1
18D36.2Very low53.1Low145 Ų145144.2 Ų144.278%0.77572%0.715SS**  trans-106.1123.5156.4-157.4-114.8000107.7L20D18-L20 PolarHBondContact O-N 3.16Å
19T44.4Very low55.1Low117 Ų117141.2 Ų141.272%0.71871%0.707SS**  trans-56.7133.3-175.3-48.80000107.7
20L50.5Low57.2Low154 Ų154140.2 Ų140.281%0.80670%0.702SS**  trans-28.9126.3169.4-77.3158.8000110.8D18 P22D18-L20 PolarHBondContact O-N 3.16Å; L20-P22 VanDerWaalsContact O-N 3.09Å
21P47.3Very low59.5Low110 Ų110138.2 Ų138.271%0.71469%0.692SS**  trans-55.4125.1-178.321.6-30.9000107.4E23P21-E23 PolarHBondContact O-N 3Å
22P52.9Low61.7Low103 Ų103140.1 Ų140.167%0.66969%0.689SS**  trans-58.7109.8-176.420.9-31.5000108.5L20 R24 R25L20-P22 VanDerWaalsContact O-N 3.09Å; P22-R24 PolarHBondContact O-N 3.49Å; P22-R25 PolarHBondContact O-N 3.04Å
23E56.4Low63.8Low194 Ų194137.8 Ų137.891%0.90768%0.677SS**THydrogen-bonded Turntrans-66.415.7-166.1-155.2178.8143.400114.3P21P21-E23 PolarHBondContact O-N 3Å
24R56.9Low65.8Low234 Ų234139.2 Ų139.288%0.88368%0.678SS**THydrogen-bonded Turntrans-151.122.4-178.2-58.3-167.474.7103.23115P22 K26P22-R24 PolarHBondContact O-N 3.49Å; R24-K26 PolarHBondContact O-N 2.94Å
25R71.5Confident68.3Low195 Ų195136.5 Ų136.574%0.73667%0.667SS**PPolyproline II helixtrans-71.2117.2170.8-160174.8179.5101.9-1.4108.4P22 R27P22-R25 PolarHBondContact O-N 3.04Å; R25-R27 PolarHBondContact O-N 2.76Å
26K77.2Confident71Confident185 Ų185134 Ų13480%0.80465%0.65SS**PPolyproline II helixtrans-55124172.7-66179.6179.1-178.10107.2R24 T28R24-K26 PolarHBondContact O-N 2.94Å; K26-T28 WeakPolarHBondContact O-CG2 3.35Å; K26-T28 PolarHBondContact O-N 3.14Å
27R86.8Confident73.6Confident233 Ų233130 Ų13088%0.87964%0.637SS**PPolyproline II helixtrans-52.3125.5177.6-72.3-171.7-175.3-1671.2108.7R25R25-R27 PolarHBondContact O-N 2.76Å
28T90.2Very high75.8Confident44 Ų44130.7 Ų130.727%0.2763%0.629SS.*PPolyproline II helixtrans-91.2166.2-179.5630000110K26 E30 D31 F32K26-T28 WeakPolarHBondContact O-CG2 3.35Å; K26-T28 PolarHBondContact O-N 3.14Å; T28-E30 WeakPolarHBondContact CB-OE2 3.48Å; T28-E30 PolarHBondContact O-N 3.39Å; T28-E30 PolarHBondContact OG1-OE2 3.2Å; T28-D31 PolarHBondContact N-OD2 3.32Å; T28-D31 WeakPolarHBondContact O-CB 3.23Å; T28-D31 PolarHBondContact O-N 3.15Å; T28-D31 VanDerWaalsContact O-N 3.13Å; T28-D31 PolarHBondContact OG1-N 3.28Å; T28-D31 PolarHBondContact OG1-OD2 3.2Å; T28-F32 PolarHBondContact O-N 3.37Å
29V90.4Very high78.7Confident91 Ų91126.8 Ų126.855%0.55261%0.61SS**Hα-helixtrans-65.1-30.1175.464.60000110.6D31 F32 N33V29-D31 VanDerWaalsContact C-N 3.32Å; V29-D31 PolarHBondContact O-N 3.08Å; V29-F32 PolarHBondContact O-N 3.31Å; V29-N33 WeakPolarHBondContact O-CB 3.49Å; V29-N33 VanDerWaalsContact O-CG 3.23Å; V29-N33 PolarHBondContact O-N 3.32Å; V29-N33 PolarHBondContact O-ND2 3.2Å
30E91.9Very high81Confident111 Ų111124.3 Ų124.352%0.51959%0.592SS.*Hα-helixtrans-63.8-36.9173.1-6278.5-174.600111.5T28 N33 K34T28-E30 WeakPolarHBondContact CB-OE2 3.48Å; T28-E30 PolarHBondContact O-N 3.39Å; T28-E30 PolarHBondContact OG1-OE2 3.2Å; E30-N33 PolarHBondContact O-N 3.25Å; E30-K34 WeakPolarHBondContact O-CB 3.32Å; E30-K34 VanDerWaalsContact O-CG 3.29Å; E30-K34 WeakPolarHBondContact O-CG 3.49Å; E30-K34 PolarHBondContact O-N 3.13Å
31D92.5Very high82.6Confident60 Ų60119.5 Ų119.532%0.32158%0.575SS.*Hα-helixtrans-68.8-37.5174.8-60.4-40.8000111.8T28 V29 K34 F35T28-D31 PolarHBondContact N-OD2 3.32Å; T28-D31 WeakPolarHBondContact O-CB 3.23Å; T28-D31 PolarHBondContact O-N 3.15Å; T28-D31 VanDerWaalsContact O-N 3.13Å; T28-D31 PolarHBondContact OG1-N 3.28Å; T28-D31 PolarHBondContact OG1-OD2 3.2Å; V29-D31 VanDerWaalsContact C-N 3.32Å; V29-D31 PolarHBondContact O-N 3.08Å; D31-K34 PolarHBondContact O-N 3.18Å; D31-F35 WeakPolarHBondContact O-CB 3.37Å; D31-F35 PolarHBondContact O-N 3.21Å
32F93.6Very high84.5Confident131 Ų131124 Ų12458%0.57558%0.578SS**Hα-helixtrans-65.2-42.8172.9177.1-97.5000111.5T28 V29 K34 F35 C36T28-F32 PolarHBondContact O-N 3.37Å; V29-F32 PolarHBondContact O-N 3.31Å; F32-K34 VanDerWaalsContact C-N 3.35Å; F32-K34 PolarHBondContact O-N 2.88Å; F32-F35 PolarHBondContact O-N 3.43Å; F32-C36 WeakPolarHBondContact O-CB 3.47Å; F32-C36 PolarHBondContact O-N 2.89Å
33N90.5Very high86.1Confident81 Ų81121.7 Ų121.743%0.43357%0.568SS.*Hα-helixtrans-65.1-38.6177.3-69.7-17.3000111.8V29 E30 C36 N37V29-N33 WeakPolarHBondContact O-CB 3.49Å; V29-N33 VanDerWaalsContact O-CG 3.23Å; V29-N33 PolarHBondContact O-N 3.32Å; V29-N33 PolarHBondContact O-ND2 3.2Å; E30-N33 PolarHBondContact O-N 3.25Å; N33-C36 PolarHBondContact O-N 3.48Å; N33-N37 WeakPolarHBondContact O-CB 3.48Å; N33-N37 PolarHBondContact O-N 3.38Å; N33-N37 PolarHBondContact O-ND2 3.07Å
34K92.4Very high87.1Confident143 Ų143115.3 Ų115.362%0.62256%0.555SS**Hα-helixtrans-62.2-44.1172.4-76.8176.3-178.7179.90112E30 D31 F32 N37 F38E30-K34 WeakPolarHBondContact O-CB 3.32Å; E30-K34 VanDerWaalsContact O-CG 3.29Å; E30-K34 WeakPolarHBondContact O-CG 3.49Å; E30-K34 PolarHBondContact O-N 3.13Å; D31-K34 PolarHBondContact O-N 3.18Å; F32-K34 VanDerWaalsContact C-N 3.35Å; F32-K34 PolarHBondContact O-N 2.88Å; K34-N37 PolarHBondContact O-N 3.28Å; K34-F38 WeakPolarHBondContact O-CB 3.48Å; K34-F38 PolarHBondContact O-N 3.43Å
35F93.9Very high87.8Confident126 Ų126112.9 Ų112.955%0.55355%0.547SS*.Hα-helixtrans-63.1-44.5176177.3-102.9000111.8D31 F32 N37 F38 V39D31-F35 WeakPolarHBondContact O-CB 3.37Å; D31-F35 PolarHBondContact O-N 3.21Å; F32-F35 PolarHBondContact O-N 3.43Å; F35-N37 PolarHBondContact O-N 3.19Å; F35-F38 PolarHBondContact O-N 3.24Å; F35-V39 HydrophobicContact CD1-CG2 4.42Å; F35-V39 HydrophobicContact CD2-CG2 4.41Å; F35-V39 HydrophobicContact CE1-CG2 3.98Å; F35-V39 HydrophobicContact CE2-CG2 3.96Å; F35-V39 HydrophobicContact CZ-CG2 3.73Å; F35-V39 WeakPolarHBondContact O-CG2 3.42Å; F35-V39 PolarHBondContact O-N 3.18Å
36C92.8Very high87.6Confident49 Ų49106.7 Ų106.733%0.33153%0.528SS..Hα-helixtrans-59.2-48.5176.3-169.90000111.3F32 N33 F38 V39 L40F32-C36 WeakPolarHBondContact O-CB 3.47Å; F32-C36 PolarHBondContact O-N 2.89Å; N33-C36 PolarHBondContact O-N 3.48Å; C36-F38 VanDerWaalsContact C-N 3.33Å; C36-F38 PolarHBondContact O-N 3.34Å; C36-V39 PolarHBondContact O-N 2.77Å; C36-L40 WeakPolarHBondContact O-CB 3.48Å; C36-L40 VanDerWaalsContact O-CG 3.27Å; C36-L40 WeakPolarHBondContact O-CG 3.45Å; C36-L40 PolarHBondContact O-N 3.17Å
37N92.6Very high87Confident92 Ų92103.2 Ų103.249%0.49252%0.524SS..Hα-helixtrans-60.5-41.4176.8-75.3-19.9000112.4N33 K34 F35 L40 A41 I46N33-N37 WeakPolarHBondContact O-CB 3.48Å; N33-N37 PolarHBondContact O-N 3.38Å; N33-N37 PolarHBondContact O-ND2 3.07Å; K34-N37 PolarHBondContact O-N 3.28Å; F35-N37 PolarHBondContact O-N 3.19Å; N37-L40 PolarHBondContact O-N 3.46Å; N37-A41 WeakPolarHBondContact O-CB 3.2Å; N37-A41 PolarHBondContact O-N 3Å; N37-I46 HydrophobicContact CB-CD1 4.25Å; N37-I46 WeakPolarHBondContact O-CD1 3.46Å
38F91.9Very high85.3Confident147 Ų14798.3 Ų98.365%0.64552%0.515SS*.Hα-helixtrans-60.4-47.6176.4177.5-96.2000111.8K34 F35 C36 A41 Y42K34-F38 WeakPolarHBondContact O-CB 3.48Å; K34-F38 PolarHBondContact O-N 3.43Å; F35-F38 PolarHBondContact O-N 3.24Å; C36-F38 VanDerWaalsContact C-N 3.33Å; C36-F38 PolarHBondContact O-N 3.34Å; F38-A41 PolarHBondContact O-N 3.49Å; F38-Y42 WeakPolarHBondContact O-CB 3.45Å; F38-Y42 PolarHBondContact O-N 2.9Å
39V95.4Very high84Confident63 Ų63101.7 Ų101.738%0.38254%0.538SS..Hα-helixtrans-64.6-40.9177.9174.10000111.5F35 C36 Y42 A43F35-V39 HydrophobicContact CD1-CG2 4.42Å; F35-V39 HydrophobicContact CD2-CG2 4.41Å; F35-V39 HydrophobicContact CE1-CG2 3.98Å; F35-V39 HydrophobicContact CE2-CG2 3.96Å; F35-V39 HydrophobicContact CZ-CG2 3.73Å; F35-V39 WeakPolarHBondContact O-CG2 3.42Å; F35-V39 PolarHBondContact O-N 3.18Å; C36-V39 PolarHBondContact O-N 2.77Å; V39-Y42 PolarHBondContact O-N 3.18Å; V39-A43 WeakPolarHBondContact O-CB 3.29Å; V39-A43 PolarHBondContact O-N 3.48Å
40L92.5Very high81.9Confident64 Ų64106 Ų10634%0.33555%0.549SS..Hα-helixtrans-68.5-37.6179-72.9172000112.8C36 N37 A43 G44 Y45 I46C36-L40 WeakPolarHBondContact O-CB 3.48Å; C36-L40 VanDerWaalsContact O-CG 3.27Å; C36-L40 WeakPolarHBondContact O-CG 3.45Å; C36-L40 PolarHBondContact O-N 3.17Å; N37-L40 PolarHBondContact O-N 3.46Å; L40-A43 PolarHBondContact O-N 2.92Å; L40-G44 PolarHBondContact O-N 3.4Å; L40-Y45 HydrophobicContact CD2-CG 4.48Å; L40-Y45 PolarHBondContact O-N 2.99Å; L40-I46 HydrophobicContact CB-CD1 3.6Å; L40-I46 HydrophobicContact CB-CG1 3.82Å; L40-I46 HydrophobicContact CD1-CD1 4.41Å; L40-I46 PolarHBondContact O-N 3.36Å
41A84.8Confident80.3Confident54 Ų54109.7 Ų109.745%0.44657%0.567SS.*Hα-helixtrans-65.2-44173.600000111N37 F38 A43 G44 I46N37-A41 WeakPolarHBondContact O-CB 3.2Å; N37-A41 PolarHBondContact O-N 3Å; F38-A41 PolarHBondContact O-N 3.49Å; A41-A43 VanDerWaalsContact C-N 3.32Å; A41-A43 PolarHBondContact O-N 3.4Å; A41-G44 PolarHBondContact O-N 2.84Å; A41-G44 VanDerWaalsContact O-N 3.09Å; A41-I46 HydrophobicContact CB-CB 4.43Å; A41-I46 HydrophobicContact CB-CD1 4.46Å
42Y87.8Confident78Confident203 Ų203115.9 Ų115.980%0.79659%0.594SS**Hα-helixtrans-61.3-40.9174.9178.9-100.1000112.4F38 V39 G44F38-Y42 WeakPolarHBondContact O-CB 3.45Å; F38-Y42 PolarHBondContact O-N 2.9Å; V39-Y42 PolarHBondContact O-N 3.18Å; Y42-G44 PolarHBondContact O-N 3.25Å
43A86.9Confident75.8Confident55 Ų55111.4 Ų111.446%0.45558%0.584SS.*THydrogen-bonded Turntrans-76.62.8176.800000114V39 L40 A41 Y45V39-A43 WeakPolarHBondContact O-CB 3.29Å; V39-A43 PolarHBondContact O-N 3.48Å; L40-A43 PolarHBondContact O-N 2.92Å; A41-A43 VanDerWaalsContact C-N 3.32Å; A41-A43 PolarHBondContact O-N 3.4Å; A43-Y45 VanDerWaalsContact C-N 3.28Å; A43-Y45 HydrophobicContact CB-CD2 3.73Å; A43-Y45 HydrophobicContact CB-CE2 4.16Å; A43-Y45 WeakPolarHBondContact O-CD2 3.46Å; A43-Y45 PolarHBondContact O-N 3.48Å
44G75.6Confident73.7Confident60 Ų60113.7 Ų113.762%0.61960%0.603SS**THydrogen-bonded Turntrans7313.1176.700000115.2L40 A41 Y42L40-G44 PolarHBondContact O-N 3.4Å; A41-G44 PolarHBondContact O-N 2.84Å; A41-G44 VanDerWaalsContact O-N 3.09Å; Y42-G44 PolarHBondContact O-N 3.25Å
45Y73Confident71Confident183 Ų183118.3 Ų118.372%0.71862%0.617SS**  trans-84.6-16.5178.5-77.7-82.8000113.6L40 A43 P47L40-Y45 HydrophobicContact CD2-CG 4.48Å; L40-Y45 PolarHBondContact O-N 2.99Å; A43-Y45 VanDerWaalsContact C-N 3.28Å; A43-Y45 HydrophobicContact CB-CD2 3.73Å; A43-Y45 HydrophobicContact CB-CE2 4.16Å; A43-Y45 WeakPolarHBondContact O-CD2 3.46Å; A43-Y45 PolarHBondContact O-N 3.48Å; Y45-P47 WeakPolarHBondContact O-CD 3.47Å
46I66.6Low68.3Low66 Ų66117.1 Ų117.134%0.33863%0.625SS.*SBendtrans-103.3109170.5-62.2171.8000106.8N37 L40 A41 N48N37-I46 HydrophobicContact CB-CD1 4.25Å; N37-I46 WeakPolarHBondContact O-CD1 3.46Å; L40-I46 HydrophobicContact CB-CD1 3.6Å; L40-I46 HydrophobicContact CB-CG1 3.82Å; L40-I46 HydrophobicContact CD1-CD1 4.41Å; L40-I46 PolarHBondContact O-N 3.36Å; A41-I46 HydrophobicContact CB-CB 4.43Å; A41-I46 HydrophobicContact CB-CD1 4.46Å; I46-N48 PolarHBondContact O-N 2.74Å
47P64.6Low66.4Low111 Ų111121.1 Ų121.172%0.72165%0.65SS**  trans-52.2125.5167.9-24.834.3000109.1Y45Y45-P47 WeakPolarHBondContact O-CD 3.47Å
48N51.7Low63.5Low131 Ų131120.9 Ų120.970%0.70166%0.661SS**  trans-56.4128.2170.5-160.67.6000106.8I46 K50I46-N48 PolarHBondContact O-N 2.74Å; N48-K50 PolarHBondContact O-N 2.86Å
49P61.9Low60.7Low115 Ų115119.5 Ų119.575%0.74767%0.669SS**  trans-64.984.9165.928-32.9000106.8E51P49-E51 PolarHBondContact O-N 2.87Å; P49-E51 VanDerWaalsContact O-N 3.13Å
50K47.9Very low58.2Low182 Ų182121.8 Ų121.879%0.79169%0.688SS**  trans-61.4116.1167.3-89.2-176.4173.8178.10106.2N48N48-K50 PolarHBondContact O-N 2.86Å
51E56.3Low55.4Low188 Ų188124.2 Ų124.288%0.87971%0.71SS**  trans36.494.4158.1-74.4-178.1123.100115.7P49P49-E51 PolarHBondContact O-N 2.87Å; P49-E51 VanDerWaalsContact O-N 3.13Å
52E45.3Very low53.1Low190 Ų190126.8 Ų126.889%0.88873%0.725SS**  trans-94.399.8141.4-140.7-173.5-158.400107.2
53G48Very low50.8Low37 Ų37123.3 Ų123.338%0.38173%0.728SS.*  trans-57153.4164.600000110.3W55G53-W55 PolarHBondContact O-N 3.43Å
54P46Very low48.4Very low128 Ų128128.4 Ų128.483%0.83174%0.742SS**  trans-69.187.5-175.526.2-32.5000111.5S56P54-S56 PolarHBondContact O-N 3.35Å
55W35.3Very low46.4Very low240 Ų240130.6 Ų130.691%0.90975%0.748SS**  trans-80.199164.5-72.183.5000108.3G53G53-W55 PolarHBondContact O-N 3.43Å
56S36.6Very low44.7Very low102 Ų102127.9 Ų127.971%0.71376%0.755SS**  trans-60151.9174.1-650000111.6P54 A58P54-S56 PolarHBondContact O-N 3.35Å; S56-A58 PolarHBondContact O-N 3.44Å
57P53.4Low43Very low132 Ų132128.5 Ų128.586%0.85778%0.778SS**  trans-82.9112.6176.832.8-29.3000110.1
58A31.6Very low41.7Very low88 Ų88127.5 Ų127.573%0.72778%0.779SS**  trans-156.9106.6161.900000112.6S56S56-A58 PolarHBondContact O-N 3.44Å
59S32.7Very low41.2Very low117 Ų117126.8 Ų126.882%0.81878%0.784SS**  56113.3129.8-530000121.4
60S44Very low40Very low111 Ų111124.9 Ų124.978%0.77679%0.785SS**  51.6112123.7170.40000119.2
61S33Very low39.6Very low115 Ų115124.3 Ų124.380%0.80479%0.785SS**  -179.1136.3108.427.20000112.4
62S38Very low38.9Very low109 Ų109120.5 Ų120.576%0.76278%0.779SS**  trans-65.3165.8174-50.50000112.7
63P38.8Very low38.5Very low130 Ų130115 Ų11584%0.84477%0.774SS**  -135.6160.9109.733.9-20.8000113.8
64H37Very low37.8Very low162 Ų162117.6 Ų117.675%0.7580%0.8SS**  trans-114.5141.8-169.148.8117.4000109.4
65S32.5Very low37.2Very low106 Ų106115 Ų11574%0.74180%0.798SS**  trans70.5127.4155.6-46.90000116.9
66S37.7Very low37.2Very low125 Ų125107.1 Ų107.187%0.87479%0.791SS**  -175.515667.9-54.60000108
67G30Very low37Very low79 Ų79111.7 Ų111.781%0.81480%0.801SS**  cis-169.3166.610.100000110.1
68A38.1Very low36.1Very low91 Ų91109.4 Ų109.475%0.75280%0.801SS**  trans-113.4154.1171.600000110
69S40.8Very low36.2Very low116 Ų116109.2 Ų109.281%0.81181%0.808SS**  trans94.8118.1146.9-50.40000118.5
70G36.7Very low36.4Very low74 Ų74107.7 Ų107.776%0.76381%0.81SS**  trans-68.7140.2143.400000110.2
71E40.7Very low36.1Very low170 Ų170105.8 Ų105.879%0.79481%0.809SS**  trans-49.3157.9157.657106.4104.600111.8
72S41.3Very low36.3Very low108 Ų108106 Ų10676%0.75581%0.81SS**  cis-163.1168.333.1380000107
73G35.9Very low37Very low76 Ų76106.1 Ų106.178%0.78481%0.811SS**  cis172.4159.44.600000108.4
74G33.7Very low37.8Very low90 Ų90108.7 Ų108.793%0.92882%0.817SS**  trans76139.516600000116.2
75G34.6Very low37.6Very low75 Ų75104.4 Ų104.477%0.77382%0.816SS**  cis-173.4174.54.200000106.6
76G34.2Very low38Very low74 Ų74104.4 Ų104.476%0.76382%0.822SS**  trans-53.1173.1-177.600000114
77E33.1Very low37.9Very low197 Ų197103.6 Ų103.692%0.92182%0.817SS**  cis-175.1151.845.2-1.4176.9100.200108.3
78G33.7Very low38.4Very low84 Ų84112.5 Ų112.587%0.86683%0.826SS**  trans82.7102.5141.900000121
79G34.1Very low38.4Very low84 Ų84111 Ų11187%0.86682%0.82SS**  105.3100.1123.800000119.8
80G37.2Very low38.9Very low85 Ų85113.9 Ų113.988%0.87683%0.826SS**  91.5115.5126.200000119.6
81G36.4Very low39.3Very low72 Ų72112.6 Ų112.674%0.74281%0.813SS**  trans115.897.9138.400000117.7
82S38.6Very low39.8Very low119 Ų119107.6 Ų107.683%0.83281%0.807SS**  trans58.8107.3134.1-46.80000120.1
83S51.8Low40.7Very low112 Ų112109.8 Ų109.878%0.78381%0.81SS**SBendtrans26.4128.2134.6-52.60000119.9
84L55.2Low41.7Very low184 Ų184111.1 Ų111.196%0.96380%0.8SS**  trans87.989.3160.5-48.7165.7000115.7
85G33.1Very low43Very low71 Ų71112.7 Ų112.773%0.73279%0.786SS**  trans176.3102.4164.300000109.5
86A41.4Very low44.2Very low106 Ų106116 Ų11688%0.87678%0.781SS**  92.3132.883.200000111.6
87S35.6Very low45.7Very low109 Ų109116.7 Ų116.776%0.76277%0.77SS**  trans139.184.5138.8-160.20000112.7
88W39.8Very low47.2Very low265 Ų265111.3 Ų111.3100%1.00475%0.747SS**  trans-89.5119.7130.3-76.874.3000104.9
89G39.2Very low48.6Very low61 Ų61112.9 Ų112.963%0.62973%0.732SS**  trans-65.4163-177.800000112.8
90D51.6Low49.9Very low175 Ų175112.3 Ų112.394%0.93671%0.711SS**  trans74.189.8156.1-135.4104.5000118.1
91G43.5Very low51Low48 Ų48116.4 Ų116.450%0.49571%0.705SS.*  trans-173.820.3165.600000113N93G91-N93 VanDerWaalsContact C-N 3.32Å; G91-N93 PolarHBondContact O-N 2.93Å
92G51.5Low52.5Low64 Ų64117.2 Ų117.266%0.6670%0.696SS**THydrogen-bonded Turntrans-71.8-11.7-161.500000116.7
93N60Low53.5Low154 Ų154120.1 Ų120.182%0.82469%0.689SS**THydrogen-bonded Turntrans-94.1-16.1-174.9-90.820.4000115.2G91 T97G91-N93 VanDerWaalsContact C-N 3.32Å; G91-N93 PolarHBondContact O-N 2.93Å; N93-T97 PolarHBondContact O-OG1 3.38Å
94D56.5Low54Low105 Ų105122.5 Ų122.556%0.56169%0.685SS**THydrogen-bonded Turntrans-93.4-34.7-176.3-166.136000112.7H96 T97 I98D94-H96 PolarHBondContact O-N 3.4Å; D94-T97 PolarHBondContact O-N 2.87Å; D94-I98 WeakPolarHBondContact O-CD1 3.4Å; D94-I98 VanDerWaalsContact O-CG1 3.32Å; D94-I98 WeakPolarHBondContact O-CG1 3.27Å; D94-I98 PolarHBondContact O-N 3.07Å
95L61.4Low54.1Low122 Ų122117.4 Ų117.464%0.63967%0.67SS**Hα-helixtrans-69.2-29.8-177.4-89.2144.3000114.3H99L95-H99 WeakPolarHBondContact O-CB 3.43Å; L95-H99 PolarHBondContact O-N 3.4Å
96H60.5Low55.3Low144 Ų144124.3 Ų124.367%0.66767%0.673SS**Hα-helixtrans-74-32.9176.6-168.4-94.1000112.2D94 T100D94-H96 PolarHBondContact O-N 3.4Å; H96-T100 WeakPolarHBondContact O-CB 3.49Å; H96-T100 PolarHBondContact O-N 3.23Å; H96-T100 VanDerWaalsContact O-N 3.14Å; H96-T100 PolarHBondContact O-OG1 2.88Å
97T65.8Low55.9Low89 Ų89123.3 Ų123.355%0.54667%0.665SS.*Hα-helixtrans-69-45.8178.2-54.40000110.9N93 D94 T100 F101N93-T97 PolarHBondContact O-OG1 3.38Å; D94-T97 PolarHBondContact O-N 2.87Å; T97-T100 PolarHBondContact O-N 2.86Å; T97-F101 PolarHBondContact O-N 3.2Å; T97-F101 VanDerWaalsContact O-N 3.15Å
98I63.6Low56.9Low85 Ų85125.1 Ų125.144%0.43667%0.666SS.*Hα-helixtrans-64.6-42.9178.3-60.8164.2000110.8D94 T100 F101 V102D94-I98 WeakPolarHBondContact O-CD1 3.4Å; D94-I98 VanDerWaalsContact O-CG1 3.32Å; D94-I98 WeakPolarHBondContact O-CG1 3.27Å; D94-I98 PolarHBondContact O-N 3.07Å; I98-T100 VanDerWaalsContact C-N 3.3Å; I98-T100 PolarHBondContact O-N 3.26Å; I98-F101 PolarHBondContact O-N 3.24Å; I98-V102 WeakPolarHBondContact O-CG2 3.36Å; I98-V102 PolarHBondContact O-N 3.26Å; I98-V102 VanDerWaalsContact O-N 3.08Å
99H64Low57.8Low117 Ų117122.1 Ų122.154%0.54266%0.66SS.*Hα-helixtrans-63.7-34.3177-111.7-93.5000113.2L95 R103L95-H99 WeakPolarHBondContact O-CB 3.43Å; L95-H99 PolarHBondContact O-N 3.4Å; H99-R103 VanDerWaalsContact O-CB 3.23Å; H99-R103 WeakPolarHBondContact O-CB 3.33Å; H99-R103 PolarHBondContact O-N 2.92Å
100T62.1Low58.5Low71 Ų71122.2 Ų122.244%0.43666%0.661SS.*Hα-helixtrans-70.3-38.7178.5-56.60000111.5H96 T97 I98 K104H96-T100 WeakPolarHBondContact O-CB 3.49Å; H96-T100 PolarHBondContact O-N 3.23Å; H96-T100 VanDerWaalsContact O-N 3.14Å; H96-T100 PolarHBondContact O-OG1 2.88Å; T97-T100 PolarHBondContact O-N 2.86Å; I98-T100 VanDerWaalsContact C-N 3.3Å; I98-T100 PolarHBondContact O-N 3.26Å; T100-K104 WeakPolarHBondContact O-CB 3.46Å; T100-K104 PolarHBondContact O-N 3.32Å
101F59.4Low58.7Low171 Ų171124.3 Ų124.375%0.7566%0.662SS**Hα-helixtrans-68.4-43.4177.6-142.7-95.2000112T97 I98 K104 A105T97-F101 PolarHBondContact O-N 3.2Å; T97-F101 VanDerWaalsContact O-N 3.15Å; I98-F101 PolarHBondContact O-N 3.24Å; F101-K104 PolarHBondContact O-N 2.99Å; F101-A105 PolarHBondContact O-N 3.47Å; F101-A105 VanDerWaalsContact O-N 3.16Å
102V69Low58.5Low89 Ų89127.8 Ų127.854%0.53968%0.678SS.*Hα-helixtrans-67.9-35.7177.31760000111.8I98 R106I98-V102 WeakPolarHBondContact O-CG2 3.36Å; I98-V102 PolarHBondContact O-N 3.26Å; I98-V102 VanDerWaalsContact O-N 3.08Å; V102-R106 PolarHBondContact O-N 3.31Å
103R59.6Low58.7Low181 Ų181132.2 Ų132.268%0.68368%0.684SS**Hα-helixtrans-72-36175.7-167.7176.2-73.6174.9-2.2112.4H99 A105 R106 A107H99-R103 VanDerWaalsContact O-CB 3.23Å; H99-R103 WeakPolarHBondContact O-CB 3.33Å; H99-R103 PolarHBondContact O-N 2.92Å; R103-A105 VanDerWaalsContact C-N 3.34Å; R103-A105 PolarHBondContact O-N 3.41Å; R103-R106 PolarHBondContact O-N 3.34Å; R103-A107 WeakPolarHBondContact O-CB 3.41Å; R103-A107 PolarHBondContact O-N 2.92Å; R103-A107 VanDerWaalsContact O-N 3.08Å
104K60.8Low58.1Low161 Ų161135.7 Ų135.770%0.769%0.685SS**Hα-helixtrans-65-35.7175-169.385.982.6168.90112T100 F101T100-K104 WeakPolarHBondContact O-CB 3.46Å; T100-K104 PolarHBondContact O-N 3.32Å; F101-K104 PolarHBondContact O-N 2.99Å
105A57.5Low58.1Low78 Ų78141 Ų14165%0.64570%0.697SS**Hα-helixtrans-73.9-31.2176.300000113.6F101 R103F101-A105 PolarHBondContact O-N 3.47Å; F101-A105 VanDerWaalsContact O-N 3.16Å; R103-A105 VanDerWaalsContact C-N 3.34Å; R103-A105 PolarHBondContact O-N 3.41Å
106R59.3Low57Low216 Ų216143.7 Ų143.782%0.81571%0.709SS**Hα-helixtrans-83.8-23.6178-100.8-176.7175.8-165.30.1114.8V102 R103V102-R106 PolarHBondContact O-N 3.31Å; R103-R106 PolarHBondContact O-N 3.34Å
107A53.7Low56.2Low84 Ų84144.8 Ų144.869%0.69471%0.714SS**THydrogen-bonded Turntrans-79.3-12.1-179.400000114.4R103 K109R103-A107 WeakPolarHBondContact O-CB 3.41Å; R103-A107 PolarHBondContact O-N 2.92Å; R103-A107 VanDerWaalsContact O-N 3.08Å; A107-K109 PolarHBondContact O-N 3.16Å
108N55.7Low55.2Low148 Ų148145.8 Ų145.879%0.79173%0.725SS**THydrogen-bonded Turntrans-84.416.7179.4-163.935.6000114.1
109K59.4Low54.2Low202 Ų202148.2 Ų148.288%0.87874%0.739SS**  trans-109.375177.3-163.8154.4-178.5171.70110.3A107A107-K109 PolarHBondContact O-N 3.16Å
110G53.3Low53.5Low62 Ų62147.2 Ų147.264%0.63975%0.745SS**SBendtrans169.6101169.700000116.6
111K55.6Low53.2Low219 Ų219147.8 Ų147.895%0.95275%0.752SS**  trans78.195.4150.3-55.7169.3179.8175.30117.9
112S40.5Very low52.8Low121 Ų121147 Ų14785%0.84676%0.755SS**  -148.9103.6129.4-168.10000110
113M54.5Low52.1Low158 Ų158149.8 Ų149.878%0.77877%0.765SS**  trans-87.8107172.2-162.5-96.6-68.500106.5
114R48.6Very low51.7Low226 Ų226146.7 Ų146.785%0.85376%0.762SS**  trans-142.9109.9148.2-74.4-141.5-77.1-121.18.8108.9M116R114-M116 PolarHBondContact O-N 3.25Å
115R54.8Low51.5Low216 Ų216147.9 Ų147.982%0.81577%0.768SS**  trans-50.1124.2165.4-80.3179.3-110.6-158-5.4109.4
116M40.3Very low51.1Low179 Ų179151.9 Ų151.988%0.88278%0.775SS**  trans-144.4118.4149.5-74.8-56.2153.300108.2R114R114-M116 PolarHBondContact O-N 3.25Å
117H42.9Very low50.7Low167 Ų167151.1 Ų151.177%0.77377%0.772SS**  trans30.1109.8163.2-121-105.8000119.5D119H117-D119 PolarHBondContact O-N 2.89Å; H117-D119 VanDerWaalsContact O-N 3.17Å
118S45.2Very low50.5Low110 Ų110154.7 Ų154.777%0.76978%0.779SS**  trans-65.9106.5156.4-49.70000108.3S120S118-S120 PolarHBondContact O-N 3.36Å
119D41.3Very low50.3Low137 Ų137156.9 Ų156.973%0.73378%0.781SS**  trans-70.882161.5-79.7-34.9000108.7H117 S121H117-D119 PolarHBondContact O-N 2.89Å; H117-D119 VanDerWaalsContact O-N 3.17Å; D119-S121 PolarHBondContact O-N 3.28Å
120S50.5Low49.5Very low96 Ų96154.6 Ų154.667%0.67178%0.779SS**THydrogen-bonded Turntrans-70.523.8166.864.10000112.6S118S118-S120 PolarHBondContact O-N 3.36Å
121S55.4Low49.1Very low83 Ų83156.8 Ų156.858%0.5878%0.784SS**THydrogen-bonded Turntrans-90.1-15.1-174.9-165.80000113.7D119D119-S121 PolarHBondContact O-N 3.28Å
122L51.1Low48.9Very low154 Ų154154.4 Ų154.481%0.80678%0.781SS**THydrogen-bonded Turntrans-93.5-19.3-178.2-136.6165.9000113.6
123L54.4Low48.9Very low147 Ų147158.9 Ų158.977%0.7778%0.781SS**THydrogen-bonded Turntrans-98-14.4177.9-61.2174.6000113.3M126L123-M126 PolarHBondContact O-N 3.5Å
124D49.8Very low48.2Very low116 Ų116158.7 Ų158.762%0.6278%0.783SS**G310 helixtrans-78.7-18-177.9-156-111.3000113.4M126D124-M126 VanDerWaalsContact C-N 3.26Å; D124-M126 PolarHBondContact O-N 2.95Å
125K57.5Low47.5Very low187 Ų187152.7 Ų152.781%0.81378%0.776SS**G310 helixtrans-81.41.8174.4-77.6176.8173.4169.10114.6
126M49.1Very low46.5Very low162 Ų162151.2 Ų151.280%0.79878%0.778SS**G310 helixtrans-1093.8173.4-80.3-177.85800114.4L123 D124 L128L123-M126 PolarHBondContact O-N 3.5Å; D124-M126 VanDerWaalsContact C-N 3.26Å; D124-M126 PolarHBondContact O-N 2.95Å; M126-L128 PolarHBondContact O-N 2.99Å
127R50.2Low46.2Very low199 Ų199147.2 Ų147.275%0.75177%0.773SS**  trans-82.673.2165.2-78.7-171.291.2173.65.3110.7K129R127-K129 PolarHBondContact O-N 3.45Å
128L50.3Low45.8Very low160 Ų160143.3 Ų143.384%0.83878%0.778SS**  trans-69.890.1157.1-74.2172.6000108.7M126M126-L128 PolarHBondContact O-N 2.99Å
129K52Low45.2Very low193 Ų193141.9 Ų141.984%0.83978%0.781SS**  trans59.259.4137.2-151.1149.9-175.5169.50117.5R127R127-K129 PolarHBondContact O-N 3.45Å
130D43.1Very low44.9Very low154 Ų154145.4 Ų145.482%0.82479%0.789SS**  trans-101.684.1149.6-95.9-63.2000108.8
131S43.1Very low44.3Very low108 Ų108145.2 Ų145.276%0.75579%0.794SS**  trans-153.186.1163.7-167.80000109
132L52.4Low43.7Very low169 Ų169148.6 Ų148.689%0.88580%0.801SS**SBendtrans-152.6122.9132.3-103.5171.1000106.1
133Y40.3Very low43.4Very low216 Ų216152.4 Ų152.485%0.84780%0.804SS**  trans93.869.7173.8-118.4-94.5000118.5
134D40.2Very low43.2Very low153 Ų153154 Ų15482%0.81881%0.805SS**  trans-135.9105.8131-171.6-107.7000109.9
135S34.1Very low43.2Very low100 Ų100157.8 Ų157.870%0.69982%0.816SS**  trans-17098.3150.8-81.30000106.5
136Q34.4Very low42.7Very low186 Ų186155.1 Ų155.187%0.86981%0.81SS**  164.2127.5107.1-164165.8-48.600110.7
137A33.1Very low42.6Very low94 Ų94156.6 Ų156.678%0.77781%0.812SS**  trans-58.4153.9-179.100000115.5
138G34.3Very low42.3Very low85 Ų85155.7 Ų155.788%0.87681%0.814SS**  trans32.6125.7141.300000121.1
139G32.5Very low41.7Very low80 Ų80154 Ų15483%0.82581%0.805SS**  trans178.2138.5162.800000112.7
140K35.8Very low41Very low211 Ų211153.2 Ų153.292%0.91780%0.802SS**  trans-82171.2-167.6-57.8-161.4175.2-173.80114.5
141A36.8Very low40.9Very low93 Ų93153.9 Ų153.977%0.76980%0.797SS**  trans95.8109.5143.800000118.8
142E43.1Very low40.6Very low154 Ų154155.8 Ų155.872%0.7280%0.798SS**  6.9119.5120.8-135-86.89800115.2
143R45.9Very low39.9Very low234 Ų234152.6 Ų152.688%0.88379%0.79SS**  trans-177.8115.9130.7-98.1158.3172.8-155-4.4113.8
144K48.4Very low39.7Very low180 Ų180151.2 Ų151.278%0.78379%0.794SS**  trans-50.8131.1153.3177.3174.5179.8174.90112.3
145K50.3Low39.4Very low196 Ų196147.8 Ų147.885%0.85279%0.794SS**  trans-165.6122.9144.5-125.5173.2-179.3173.90114.6
146D46.6Very low39.6Very low130 Ų130149 Ų14970%0.69580%0.803SS**  trans-41.2146.2151.9-70.9-106.9000114.7
147K48.4Very low39.7Very low193 Ų193144.4 Ų144.484%0.83980%0.796SS**  175.599.6115.2-99.4164.3167.8178.20113.2
148K42.5Very low40Very low181 Ų181147.9 Ų147.979%0.78780%0.8SS**  18.3128118.6-165163.7-179.11740119
149L37.6Very low39.9Very low124 Ų124147.6 Ų147.665%0.64980%0.798SS**  trans83.1129.2141.1-82.8175.5000122.1
150K37.8Very low39.8Very low176 Ų176147.8 Ų147.877%0.76580%0.799SS**  128.6109.6126-89.5157.2175-1750111.1
151K42Very low39.6Very low168 Ų168141.9 Ų141.973%0.7380%0.798SS**  82117.379-85.9-164158.5-156.10112.2
152L36.5Very low39.5Very low149 Ų149140.9 Ų140.978%0.7880%0.797SS**  trans61.9119.4133.5-50.4168.3000118.4
153S37Very low39.1Very low102 Ų102143.3 Ų143.371%0.71381%0.808SS**  177.2113.5125-133.60000109
154M36.4Very low38.8Very low187 Ų187138 Ų13892%0.92181%0.807SS**  86.9126.398.1-80.5179.764.700114.7
155G33.7Very low38Very low80 Ų80132.7 Ų132.783%0.82580%0.804SS**  trans172.377.316800000112.4
156S38.7Very low37.4Very low127 Ų127128.7 Ų128.789%0.88880%0.8SS**  trans-59163.4160.3-59.20000110.5
157A36.4Very low37Very low88 Ų88128 Ų12873%0.72781%0.805SS**  cis-157.717331.800000108.4
158I38.6Very low36.3Very low167 Ų167122.5 Ų122.586%0.85680%0.804SS**  -176.713774-73.7164.9000108.9
159G32.1Very low36Very low80 Ų80117.6 Ų117.683%0.82580%0.804SS**  trans67.4136.4146.300000119.3
160G31.2Very low36.3Very low83 Ų83118.9 Ų118.986%0.85681%0.807SS**  cis166.5158.8600000108.2
161G32.1Very low36.8Very low87 Ų87118.4 Ų118.490%0.89781%0.805SS**  trans112.9107.4171.100000113.9
162G34.8Very low36.9Very low72 Ų72121 Ų12174%0.74281%0.81SS**  trans-114.7160.6173.600000111.5
163E34.7Very low37.1Very low205 Ų205118.5 Ų118.596%0.95881%0.811SS**  trans-168.1162.5145.752.2-169.9101.200110.6
164S39.7Very low37.9Very low124 Ų124123 Ų12387%0.86781%0.813SS**  trans-102.5158.5-152.1-170.20000111.8
165G31.4Very low38.9Very low68 Ų68121.7 Ų121.770%0.70181%0.807SS**  trans114.8101.614100000119.2
166S36.3Very low39.7Very low111 Ų111126.2 Ų126.278%0.77680%0.804SS**  74.9117.8122.7-152.80000122.6
167S39.7Very low40.1Very low116 Ų116131.3 Ų131.381%0.81180%0.804SS**  trans64.9122.5131.468.90000121.5
168G34.1Very low40.5Very low78 Ų78131.9 Ų131.980%0.80480%0.803SS**  trans153.495.7142.700000116
169G36.1Very low40.9Very low77 Ų77133.4 Ų133.479%0.79480%0.803SS**  trans61164.5154.800000117.2
170E43.2Very low41.3Very low151 Ų151137.1 Ų137.171%0.70680%0.804SS**  cis-163.7123.2-12.1-169.4148.3103.700106.1
171K47.8Very low42.7Very low167 Ų167137.9 Ų137.973%0.72679%0.794SS**  trans42.2101140.8-52.3161.6-160.3153.40119.1
172R45.1Very low43Very low222 Ų222143 Ų14384%0.83879%0.792SS**  38.1125.6119.1-170.7-173.8-126.8-1476.4118.9
173A40.9Very low43.5Very low97 Ų97148 Ų14880%0.80280%0.795SS**  trans-149.8115.4135.700000113.3
174R53.3Low43.7Very low197 Ų197143.1 Ų143.174%0.74379%0.791SS**  trans-93.3127.1167.8158.9-176.3179.6153.7-2.9106.9
175I57.1Low44Very low158 Ų158146.6 Ų146.681%0.8179%0.79SS**  trans-137.4112.4163.8-51.6177.6000109.6
176K50.1Low44.3Very low175 Ų175148.3 Ų148.376%0.76180%0.798SS**  trans-100.9149.5152.9-71.4-171.4175.6-175.10107.1
177R47.8Very low44.7Very low235 Ų235150.8 Ų150.889%0.88780%0.801SS**  trans168.8119.4146.8-94.6161.7154.2-148.1-11.6108
178S43.5Very low44.8Very low100 Ų100155 Ų15570%0.69981%0.805SS**  88.811455.875.20000115
179K47.1Very low45Very low198 Ų198160 Ų16086%0.86181%0.805SS**  trans70.9106.6130.8-124.282.8176-1780121.8
180N41Very low44.9Very low158 Ų158163.2 Ų163.285%0.84580%0.803SS**  trans70.5156.2130.2-102.138000125.1
181P61.8Low44.3Very low100 Ų100164.4 Ų164.465%0.64981%0.806SS**  trans-111.8170.9-16043.1-33.4000115.2
182K38.3Very low43.8Very low195 Ų195161 Ų16185%0.84880%0.803SS**  trans178.4129.9141.2-102.8172.2-179.5-1790115
183Q44.6Very low43.4Very low175 Ų175155.7 Ų155.782%0.81880%0.8SS**  trans42.3140.8140.1-59.9-163.31.200125.6
184A38Very low43Very low104 Ų104155.4 Ų155.486%0.8680%0.798SS**  trans-160152.5130.400000112.3
185K47.1Very low42Very low196 Ų196151.6 Ų151.685%0.85280%0.796SS**  trans-104.4156.1179.8-63.1-179.7176.9178.60111.5
186A38.3Very low41.2Very low105 Ų105151.6 Ų151.687%0.86879%0.793SS**  trans-172.1143.2140.100000113.6
187L44.1Very low40.4Very low162 Ų162148.5 Ų148.585%0.84879%0.793SS**  trans-76.5159.3176.5-9076.2000113.7
188K41.4Very low40Very low205 Ų205144.9 Ų144.989%0.89179%0.787SS**  171.1116.8116.3-86.6162.6-167.8-171.60114.4
189K37.8Very low39.7Very low182 Ų182146.4 Ų146.479%0.79179%0.792SS**  trans28.6135.9135.9-97.9-172.4158.9174.20123.9
190L35.4Very low39.1Very low145 Ų145143.5 Ų143.576%0.75979%0.786SS**  trans71.4149.1139.5-59.3173000116.8
191K29.5Very low39.4Very low176 Ų176140.5 Ų140.577%0.76578%0.777SS**  cis176.8129.64.1151.269.8173.1-167.40107.2
192S37.9Very low38Very low96 Ų96144.1 Ų144.167%0.67179%0.786SS**  trans54154.5161.645.60000119.1
193S35.5Very low37.9Very low110 Ų110140.4 Ų140.477%0.76978%0.779SS**  cis-171134.83821.10000107.9
194A33.7Very low37.2Very low91 Ų91134.7 Ų134.775%0.75277%0.767SS**  79.2119.682.600000116.4
195T32.1Very low36.8Very low117 Ų117138.7 Ų138.772%0.71877%0.768SS**  -178.5112.7127.733.60000110.4
196Q39.3Very low36Very low158 Ų158133.8 Ų133.874%0.73876%0.764SS**  85.4129.1104.3-69.2172.5-8.500113.1
197S33.6Very low35.9Very low110 Ų110137.5 Ų137.577%0.76976%0.763SS**  cis-148.2133.347.4-490000113
198E39.5Very low36.1Very low160 Ų160135.4 Ų135.475%0.74876%0.759SS**  70.4121.684.5-32.1-137.8122.700111.4
199T38.4Very low35.4Very low131 Ų131129 Ų12980%0.80475%0.75SS**  -175.2163.451.338.20000108.2
200D33.9Very low34.8Very low137 Ų137127.8 Ų127.873%0.73375%0.748SS**  cis-179.3130.2-14.5179.421.8000106.4
201S46.4Very low34.5Very low96 Ų96130.5 Ų130.567%0.67175%0.748SS**  trans31.9155.9147.9-50.90000122.6
202E33.2Very low34.5Very low176 Ų176128.8 Ų128.882%0.82275%0.747SS**  cis-158.6123.234.5-172.5-175.694.300109.9
203T35.3Very low34Very low116 Ų116129.6 Ų129.671%0.71275%0.747SS**  67.7134.385.2-25.50000113.7
204G31Very low33.7Very low55 Ų55134.1 Ų134.157%0.56775%0.747SS**  cis-163.1156.57.400000111.1
205H30.4Very low33.5Very low188 Ų188135.1 Ų135.187%0.8774%0.74SS**  64.2133.893.9-71.893.3000113.9
206A29Very low33.4Very low93 Ų93134.9 Ų134.977%0.76974%0.735SS**  cis-165163.61.900000109.4
207H37.3Very low33.2Very low183 Ų183134 Ų13485%0.84773%0.734SS**  trans-51.6179.8167.7-101-104.3000114.9
208P48.3Very low33.1Very low119 Ų119135.4 Ų135.477%0.77374%0.738SS**  cis-136174.3-11.333.5-12.9000114.4
209G25Very low32.7Very low69 Ų69130.3 Ų130.371%0.71173%0.729SS**  trans143.2121.4156.400000118
210E26.9Very low32.5Very low157 Ų157133.6 Ų133.673%0.73474%0.735SS**  trans36.1127.5141.1-59.5-157.399.100123.3
211R29.2Very low32.3Very low203 Ų203130.4 Ų130.477%0.76673%0.734SS**  trans74.7130.3130.9-68.7174.9-168.4-117.41.4121.7
212L28.6Very low31.6Very low140 Ų140132.4 Ų132.473%0.73374%0.742SS**  trans69.9131.8139.4-90.895.6000121.5
213V26.5Very low31.6Very low113 Ų113129 Ų12969%0.68574%0.737SS**  trans76.8110.3138.7178.30000116
214R30.8Very low31.5Very low204 Ų204128.9 Ų128.977%0.7774%0.741SS**  74.1142.884.6-147.4-172.493.4-159.54.2113.9
215D29.1Very low32.3Very low112 Ų112132.6 Ų132.660%0.59976%0.755SS**  trans75.4139.3164.4-98.9-132.4000114.7
216D28.8Very low32.2Very low113 Ų113127.2 Ų127.260%0.60475%0.751SS**  cis-174.2151.225.6-164.6-132.2000111.7
217L35.8Very low32.6Very low138 Ų138130.3 Ų130.372%0.72375%0.751SS**  trans34.8140.1147-61.8166.6000121.5
218T32.5Very low32.7Very low141 Ų141130.3 Ų130.387%0.86575%0.752SS**  179.8146.272.3-48.30000105.9
219G29.6Very low31.9Very low53 Ų53128.8 Ų128.855%0.54676%0.757SS.*  cis162.5-170.811.600000107.6
220H34.6Very low32.4Very low200 Ų200133.6 Ų133.693%0.92677%0.766SS**  trans89.696.4-171-60.6-121.3000111.8
221G30.1Very low32.7Very low69 Ų69130.4 Ų130.471%0.71177%0.766SS**  cis90.2116.643.500000108.1
222V32.6Very low33Very low139 Ų139129.3 Ų129.384%0.84277%0.767SS**  -175.113564.4159.40000111.3
223S33Very low33.6Very low103 Ų103129 Ų12972%0.7277%0.765SS**  trans63.8105.7144.9-55.30000126.8
224S32.9Very low33.9Very low115 Ų115132.9 Ų132.980%0.80478%0.776SS**  36.9168.4101.9-68.70000124.1
225P47.5Very low34.1Very low132 Ų132129 Ų12986%0.85777%0.774SS**  cis-144.4179.4-26.836.2-15.5000116.9
226G28.8Very low34.5Very low76 Ų76130.8 Ų130.878%0.78478%0.779SS**  trans124.6146.5146.400000115.8
227M37.4Very low34.9Very low157 Ų157133.1 Ų133.177%0.77379%0.786SS**  cis-171.8131.5-9.7-165.2160.169.900107.8
228Q38Very low34.6Very low184 Ų184131.8 Ų131.886%0.8679%0.788SS**  trans38.7140.4142-51176.762.700123.4
229G32.3Very low34.9Very low86 Ų86130.2 Ų130.289%0.88778%0.775SS**  trans166.3129.7151.600000115.7
230L36.3Very low35.9Very low171 Ų171139.2 Ų139.290%0.89579%0.792SS**  trans-128.3154.8-161.2-154.5157.9000110.2
231A32.4Very low36.5Very low90 Ų90137.7 Ų137.774%0.74479%0.786SS**  trans78.7156.1160.200000119.1
232K36.4Very low37.3Very low179 Ų179139 Ų13978%0.77879%0.79SS**  cis178.9130.4-26-178.4169.4178.1-178.40105.9
233I40.7Very low38.5Very low134 Ų134141.3 Ų141.369%0.68779%0.791SS**  trans55.7125.1152.5-59.2169.1000120.4
234Q31.5Very low39.3Very low195 Ų195145.2 Ų145.291%0.91180%0.8SS**  -159.4148.8127.1-110174.539.300111.7
235V36Very low40.1Very low122 Ų122145.5 Ų145.574%0.73980%0.803SS**  trans-117.2156.3-168.51400000108.3
236E37.5Very low40.1Very low150 Ų150144.4 Ų144.470%0.70180%0.798SS**  trans110.5145.8157-87.8-52.3123.100121.1
237E37.9Very low41Very low162 Ų162145.6 Ų145.676%0.75779%0.794SS**  trans-64156-146.5-80.5173.270.300121.1
238S28.3Very low41.9Very low110 Ų110146.7 Ų146.777%0.76980%0.797SS**  172.1120107-165.80000113.5
239N38Very low42.8Very low108 Ų108141.3 Ų141.358%0.57879%0.791SS**  trans49.7101.5139.8-161.9-96.6000119.5E241N239-E241 PolarHBondContact ND2-OE1 3.04Å
240R50.7Low43.8Very low242 Ų242145.7 Ų145.791%0.91379%0.789SS**  -147.7109128.9-59.2-167.1-174.5148.37.6110A242R240-A242 PolarHBondContact O-N 2.9Å
241E47.4Very low44.8Very low168 Ų168143.3 Ų143.379%0.78578%0.782SS**  trans-61.5122.2166.3-60140.3-152.300108.9N239N239-E241 PolarHBondContact ND2-OE1 3.04Å
242A48.2Very low45.8Very low97 Ų97150.7 Ų150.780%0.80279%0.79SS**  trans-151.2118.5157.800000107.6R240R240-A242 PolarHBondContact O-N 2.9Å
243E56.7Low46.8Very low186 Ų186149.5 Ų149.587%0.86979%0.791SS**  trans-58.3139.9-170.9-49.3-170.3120.500112.8
244M49.4Very low47.7Very low185 Ų185146.7 Ų146.791%0.91179%0.788SS**  149.7133.6114.671.3-167.8162.100111.8
245S51.5Low49Very low122 Ų122145 Ų14585%0.85379%0.785SS**  trans91.271.9162.7-153.40000118.1
246S46.1Very low50.2Low109 Ų109147.2 Ų147.276%0.76279%0.787SS**  trans-115.3111.1148.6-82.20000109.6
247S48.5Very low51.2Low100 Ų100146.2 Ų146.270%0.69979%0.786SS**  trans-152.275.2141.965.50000107.5G249S247-G249 PolarHBondContact O-N 3.48Å
248E55.4Low52.1Low181 Ų181146 Ų14685%0.84679%0.789SS**  trans-55.7113.4150.856.9-156104.600108.5
249G58.4Low53.8Low71 Ų71148.1 Ų148.173%0.73279%0.788SS**  trans178.4-3.3-178.300000117.9S247S247-G249 PolarHBondContact O-N 3.48Å
250E51.6Low54.9Low178 Ų178148.4 Ų148.483%0.83279%0.794SS**  trans-140.574.4-171.7-75.9166.5137.200112.3
251T57.8Low55.3Low121 Ų121145.4 Ų145.474%0.74279%0.79SS**  trans-145.71416460.90000115.2
252W52.8Low55.7Low245 Ų245143.6 Ų143.693%0.92880%0.796SS**  trans-118.129.8-179-56.3111.7000114.6A254W252-A254 VanDerWaalsContact C-N 3.27Å; W252-A254 PolarHBondContact O-N 3.43Å; W252-A254 VanDerWaalsContact O-N 3.08Å
253I58.5Low56.4Low153 Ų153142.2 Ų142.279%0.78579%0.791SS**  trans-76.798155.7-55.8175.3000104.9D255I253-D255 PolarHBondContact O-N 3.42Å
254A59.4Low56.4Low76 Ų76137.8 Ų137.863%0.62877%0.774SS**  trans-55.698.5174.400000109.6W252 E256W252-A254 VanDerWaalsContact C-N 3.27Å; W252-A254 PolarHBondContact O-N 3.43Å; W252-A254 VanDerWaalsContact O-N 3.08Å; A254-E256 PolarHBondContact O-N 3.08Å
255D58.4Low56.8Low158 Ų158135.3 Ų135.385%0.84576%0.764SS**  trans-68.324.6163.2-78.6-54.5000112I253I253-D255 PolarHBondContact O-N 3.42Å
256E62.3Low57.5Low170 Ų170133.7 Ų133.779%0.79475%0.753SS**  trans-108.718.8-173-69.5-157.1127.700113.8A254A254-E256 PolarHBondContact O-N 3.08Å
257D56.9Low58.1Low128 Ų128137.9 Ų137.968%0.68475%0.752SS**  trans-148.239.5175.4-83.5-42.2000114.6M259D257-M259 VanDerWaalsContact C-N 3.26Å
258I57.8Low58.9Low158 Ų158137.9 Ų137.981%0.8174%0.744SS**  trans-99.766.2145.4-47.2-178.9000106.5V260I258-V260 HydrophobicContact CG2-CG2 3.9Å; I258-V260 PolarHBondContact O-N 3.18Å
259M63.1Low59.8Low154 Ų154135 Ų13576%0.75973%0.734SS**  trans-61.382.8159.1-74.1-162.9-7900106.9D257 E261D257-M259 VanDerWaalsContact C-N 3.26Å; M259-E261 PolarHBondContact O-N 3.46Å
260V62.5Low60.6Low115 Ų115136.3 Ų136.370%0.69772%0.723SS**  trans-57101.6159.3171.20000103.9I258 S262I258-V260 HydrophobicContact CG2-CG2 3.9Å; I258-V260 PolarHBondContact O-N 3.18Å; V260-S262 PolarHBondContact O-N 2.82Å
261E57.8Low62Low178 Ų178130.7 Ų130.783%0.83270%0.701SS**  trans-44.2118.3169.7-80.6175.7137.600107.2M259 G263M259-E261 PolarHBondContact O-N 3.46Å; E261-G263 PolarHBondContact O-N 3.39Å
262S57.4Low63.6Low130 Ų130125.1 Ų125.191%0.90967%0.667SS**  trans-60.174.6170.2-42.60000108.6V260V260-S262 PolarHBondContact O-N 2.82Å
263G62.3Low65.5Low68 Ų68119.8 Ų119.870%0.70165%0.648SS**  trans-12142-160.300000113E261E261-G263 PolarHBondContact O-N 3.39Å
264D56Low67Low94 Ų94114.7 Ų114.750%0.50363%0.625SS.*  trans-140.62917985.6-24.8000116.7S266 W267D264-S266 PolarHBondContact O-N 3.37Å; D264-W267 PolarHBondContact O-N 2.92Å
265D59Low68.4Low132 Ų132113.3 Ų113.371%0.70662%0.619SS**THydrogen-bonded Turntrans-60.5-2.8159-88.6-27.6000113W267 L269D265-W267 VanDerWaalsContact C-N 3.26Å; D265-W267 PolarHBondContact O-N 3.49Å; D265-L269 WeakPolarHBondContact O-CD1 3.38Å; D265-L269 PolarHBondContact O-N 2.86Å
266S64.7Low69.7Low88 Ų88111.7 Ų111.762%0.61560%0.604SS**THydrogen-bonded Turntrans-62.3-29.9174.8-176.10000113D264D264-S266 PolarHBondContact O-N 3.37Å
267W60.1Low70.8Confident198 Ų198106 Ų10675%0.7558%0.582SS**SBendtrans-84.2-22.1-175.2-60.1-0.4000113D264 D265D264-W267 PolarHBondContact O-N 2.92Å; D265-W267 VanDerWaalsContact C-N 3.26Å; D265-W267 PolarHBondContact O-N 3.49Å
268D64.3Low72.1Confident100 Ų100105 Ų10554%0.53557%0.571SS.*SBendtrans-94.91.2174.6-84.6-26.4000113.7I270D268-I270 PolarHBondContact O-N 2.9Å
269L73.9Confident73.4Confident120 Ų120101.1 Ų101.163%0.62856%0.563SS**  trans-58.4106.8177.1-12582.3000110.6D265 T271D265-L269 WeakPolarHBondContact O-CD1 3.38Å; D265-L269 PolarHBondContact O-N 2.86Å; L269-T271 PolarHBondContact O-N 3.18Å
270I75.1Confident74.6Confident99 Ų9996.6 Ų96.651%0.50856%0.556SS.*  trans-65.6108-175.8-63.8156.9000109.4D268 G275 P277D268-I270 PolarHBondContact O-N 2.9Å; I270-G275 WeakPolarHBondContact CD1-O 3.1Å; I270-G275 VanDerWaalsContact CG2-C 3.48Å; I270-P277 HydrophobicContact CG1-CB 4.34Å
271T82.1Confident75.9Confident59 Ų5994.9 Ų94.936%0.36254%0.537SS..  trans-104.5-24.3179.643.90000112.6L269 V291 W292L269-T271 PolarHBondContact O-N 3.18Å; T271-V291 WeakPolarHBondContact O-CG2 3.41Å; T271-W292 CarbonylContact C-O 3.21Å; T271-W292 WeakPolarHBondContact OG1-CB 3.4Å
272C92Very high77.6Confident4 Ų488.4 Ų88.43%0.02751%0.51CS..SBendtrans-80.3140.1178.8-171.70000111.7C274 G275 M283 W292 H294C272-C274 PolarHBondContact O-N 3.45Å; C272-C274 VanDerWaalsContact SG-SG 3.65Å; C272-G275 PolarHBondContact O-N 2.69Å; C272-M283 HydrophobicContact CB-CE 3.94Å; C272-W292 WeakPolarHBondContact CA-O 3.43Å; C272-W292 PolarHBondContact N-O 3.45Å; C272-H294 PolarHBondContact SG-N 3.48Å; C272-H294 VanDerWaalsContact SG-N 3.45Å
273Y91.3Very high79.4Confident133 Ų13383.9 Ų83.952%0.52248%0.475SS..THydrogen-bonded Turntrans-62-4.4177.560.3-103.7000115.5G275 V293 C297Y273-G275 VanDerWaalsContact C-N 3.26Å; Y273-V293 HydrophobicContact CD1-CG1 4.14Å; Y273-V293 HydrophobicContact CD1-CG2 4.32Å; Y273-V293 HydrophobicContact CE1-CG1 3.44Å; Y273-V293 VanDerWaalsContact CE1-CG1 3.44Å; Y273-V293 HydrophobicContact CE1-CG2 4.24Å; Y273-C297 HydrophobicContact CE1-CB 4.4Å; Y273-C297 HydrophobicContact CE2-CB 4.02Å; Y273-C297 WeakPolarHBondContact OH-CB 3.2Å; Y273-C297 PolarHBondContact OH-O 3.43Å
274C91.1Very high80.9Confident47 Ų4781.3 Ų81.332%0.31845%0.445SS..THydrogen-bonded Turntrans-83.7-4174.972.50000112.8C272 K276 H294C272-C274 PolarHBondContact O-N 3.45Å; C272-C274 VanDerWaalsContact SG-SG 3.65Å; C274-K276 PolarHBondContact O-N 2.82Å; C274-H294 PolarHBondContact SG-ND1 3.04Å
275G87.6Confident82.8Confident47 Ų4781.3 Ų81.349%0.48544%0.442SS..SBendtrans75.10.2178.700000114.2I270 C272 Y273I270-G275 WeakPolarHBondContact CD1-O 3.1Å; I270-G275 VanDerWaalsContact CG2-C 3.48Å; C272-G275 PolarHBondContact O-N 2.69Å; Y273-G275 VanDerWaalsContact C-N 3.26Å
276K87.1Confident84.6Confident124 Ų12475 Ų7554%0.53941%0.409SS..  trans-93.7140.3-179.3-58-174.6179.7-169.60110C274 H294C274-K276 PolarHBondContact O-N 2.82Å; K276-H294 PolarHBondContact O-CE1 3.18Å
277P84.6Confident86Confident50 Ų5075.5 Ų75.533%0.32540%0.404SS..  trans-66.6-177.7174.530.1-35.7000111I270 A279 H294I270-P277 HydrophobicContact CG1-CB 4.34Å; P277-A279 PolarHBondContact O-N 2.86Å; P277-H294 PolarHBondContact O-CE1 3.02Å; P277-H294 PolarHBondContact O-NE2 3.45Å
278F83.6Confident87.7Confident106 Ų10670.7 Ų70.747%0.46539%0.39SS..  trans-55.4-49.5-179.2175.6-120.2000111.9G280 R281 M283F278-G280 PolarHBondContact O-N 2.9Å; F278-R281 WeakPolarHBondContact CD2-O 3.45Å; F278-R281 WeakPolarHBondContact CE2-O 3.31Å; F278-R281 WeakPolarHBondContact O-CB 3.41Å; F278-R281 PolarHBondContact O-N 3.47Å; F278-M283 HydrophobicContact CB-SD 4.49Å; F278-M283 HydrophobicContact CD2-CG 3.96Å; F278-M283 HydrophobicContact CD2-SD 3.63Å; F278-M283 HydrophobicContact CE2-CG 4.26Å; F278-M283 HydrophobicContact CE2-SD 4.42Å
279A86Confident89.1Confident78 Ų7869.3 Ų69.365%0.64539%0.387SS*.THydrogen-bonded Turntrans46.930.7177.200000114.2P277 R281P277-A279 PolarHBondContact O-N 2.86Å; A279-R281 PolarHBondContact O-N 2.81Å
280G87.5Confident90Very high59 Ų5965.1 Ų65.161%0.60837%0.374SS*.THydrogen-bonded Turntrans69.211.8-177.200000115.4F278F278-G280 PolarHBondContact O-N 2.9Å
281R90.6Very high90.8Very high79 Ų7962.5 Ų62.530%0.29836%0.362SS..  trans-87.2138.4-178.4-63.7172.672.1-157.22.6109.8F278 A279 M283 S296F278-R281 WeakPolarHBondContact CD2-O 3.45Å; F278-R281 WeakPolarHBondContact CE2-O 3.31Å; F278-R281 WeakPolarHBondContact O-CB 3.41Å; F278-R281 PolarHBondContact O-N 3.47Å; A279-R281 PolarHBondContact O-N 2.81Å; R281-M283 WeakPolarHBondContact O-CG 3.37Å; R281-M283 PolarHBondContact O-N 3.34Å; R281-S296 PolarHBondContact NH2-OG 3.18Å
282P93.4Very high91.4Very high41 Ų4165 Ų6527%0.26637%0.365SS..  trans-60.7134.6-179.331.5-41.3000110.8H294 L295 K302P282-H294 CarbonylContact O-C 3.57Å; P282-H294 VanDerWaalsContact O-CA 3.31Å; P282-H294 WeakPolarHBondContact O-CA 3.42Å; P282-L295 HydrophobicContact CB-CB 4.47Å; P282-L295 HydrophobicContact CB-CD1 4.19Å; P282-L295 HydrophobicContact CB-CD2 4.04Å; P282-L295 HydrophobicContact CB-CG 4.47Å; P282-L295 HydrophobicContact CG-CB 4.1Å; P282-L295 HydrophobicContact CG-CD2 4.28Å; P282-L295 PolarHBondContact O-N 2.7Å; P282-K302 HydrophobicContact CG-CD 4.01Å; P282-K302 VanDerWaalsContact CG-CE 3.4Å; P282-K302 HydrophobicContact CG-CG 4.39Å
283M94.3Very high91.6Very high36 Ų3664.8 Ų64.818%0.17736%0.364CS..EExtended strand (participates in β ladder)trans-122.4158.7178.1-59.5-173.584.900111.4C272 F278 R281 W292 V293 L295C272-M283 HydrophobicContact CB-CE 3.94Å; F278-M283 HydrophobicContact CB-SD 4.49Å; F278-M283 HydrophobicContact CD2-CG 3.96Å; F278-M283 HydrophobicContact CD2-SD 3.63Å; F278-M283 HydrophobicContact CE2-CG 4.26Å; F278-M283 HydrophobicContact CE2-SD 4.42Å; R281-M283 WeakPolarHBondContact O-CG 3.37Å; R281-M283 PolarHBondContact O-N 3.34Å; M283-W292 HydrophobicContact CB-CE3 3.71Å; M283-W292 HydrophobicContact CB-CZ3 4.37Å; M283-W292 HydrophobicContact CE-CB 3.61Å; M283-W292 WeakPolarHBondContact CE-O 3.43Å; M283-W292 HydrophobicContact SD-CB 4.3Å; M283-V293 CarbonylContact C-O 3.51Å; M283-V293 VanDerWaalsContact CA-O 3.27Å; M283-V293 WeakPolarHBondContact CA-O 3.44Å; M283-L295 VanDerWaalsContact C-CD1 3.46Å
284I95.2Very high91.7Very high14 Ų1458.5 Ų58.57%0.07234%0.339CS..EExtended strand (participates in β ladder)trans-132.1138.7174.9-173.2167000109.2W292 V293 L295 A298 I300 V305 P306 F309I284-W292 WeakPolarHBondContact O-CA 3.43Å; I284-V293 WeakPolarHBondContact CG2-O 3.27Å; I284-V293 PolarHBondContact N-O 2.95Å; I284-V293 PolarHBondContact O-N 2.92Å; I284-L295 HydrophobicContact CB-CD1 3.79Å; I284-L295 HydrophobicContact CG2-CD1 4Å; I284-A298 HydrophobicContact CG2-CB 4.21Å; I284-I300 HydrophobicContact CD1-CD1 3.94Å; I284-I300 HydrophobicContact CG2-CD1 4.29Å; I284-V305 HydrophobicContact CD1-CG1 3.85Å; I284-P306 HydrophobicContact CD1-CG 4.23Å; I284-F309 HydrophobicContact CB-CD1 4.44Å; I284-F309 HydrophobicContact CD1-CB 3.4Å; I284-F309 VanDerWaalsContact CD1-CB 3.4Å; I284-F309 HydrophobicContact CD1-CD1 4.22Å; I284-F309 HydrophobicContact CD1-CD2 4.32Å; I284-F309 HydrophobicContact CD1-CG 3.74Å; I284-F309 HydrophobicContact CG1-CB 3.85Å; I284-F309 HydrophobicContact CG1-CD1 3.99Å; I284-F309 HydrophobicContact CG1-CG 4.02Å; I284-F309 HydrophobicContact CG2-CD1 3.74Å; I284-F309 HydrophobicContact CG2-CE1 3.79Å; I284-F309 HydrophobicContact CG2-CG 4.14Å; I284-F309 HydrophobicContact CG2-CZ 4.23Å
285E95.2Very high91.9Very high93 Ų9356.7 Ų56.744%0.43533%0.326SS..EExtended strand (participates in β ladder)trans-86.7136.8179.2-170.1-175.7170.300111.7W292E285-W292 HydrophobicContact CB-CD2 4.12Å; E285-W292 HydrophobicContact CB-CE3 4.35Å; E285-W292 HydrophobicContact CB-CH2 4.33Å; E285-W292 HydrophobicContact CB-CZ2 4.06Å; E285-W292 HydrophobicContact CB-CZ3 4.47Å; E285-W292 HydrophobicContact CG-CZ2 4.39Å
286C95.7Very high92.3Very high1 Ų157.8 Ų57.81%0.00733%0.326CS..  trans-76.7122.5172.3-178.70000111.4Q288 C289 G290 V291 F309 C311C286-Q288 PolarHBondContact O-N 2.91Å; C286-C289 PolarHBondContact O-N 3.09Å; C286-G290 WeakPolarHBondContact O-CA 3.48Å; C286-G290 PolarHBondContact O-N 3.19Å; C286-V291 HydrophobicContact CB-CG1 3.73Å; C286-V291 WeakPolarHBondContact CB-O 3.33Å; C286-V291 PolarHBondContact N-O 3.25Å; C286-F309 HydrophobicContact CB-CD1 4.5Å; C286-C311 HydrophobicContact CB-CB 4.02Å; C286-C311 PolarHBondContact SG-N 3.43Å
287N96Very high92.6Very high97 Ų9753 Ų5352%0.51931%0.308SS..THydrogen-bonded Turntrans-66.1-10.9180-84.4-107.7000114.8I308 F309 Y310N287-I308 HydrophobicContact CB-CG2 4.36Å; N287-F309 PolarHBondContact N-O 3.22Å; N287-F309 PolarHBondContact ND2-N 3.42Å; N287-Y310 HydrophobicContact CB-CD1 4.41Å; N287-Y310 HydrophobicContact CB-CE1 4Å
288Q95.1Very high93.1Very high98 Ų9851.8 Ų51.846%0.45830%0.302SS..THydrogen-bonded Turntrans-107.4-30.6-178.7-178153.319.200114.1C286 Y310 C314 R318C286-Q288 PolarHBondContact O-N 2.91Å; Q288-Y310 HydrophobicContact CB-CD1 3.92Å; Q288-Y310 HydrophobicContact CB-CE1 4.16Å; Q288-C314 HydrophobicContact CB-CB 4.12Å; Q288-C314 HydrophobicContact CG-CB 4.32Å; Q288-R318 VanDerWaalsContact CD-NH2 3.28Å; Q288-R318 VanDerWaalsContact OE1-CZ 3.28Å
289C94.1Very high93.6Very high70 Ų7056 Ų5647%0.47332%0.32SS..THydrogen-bonded Turntrans-132.89.7-175.3710000113.5C286 V291 C311 C314C286-C289 PolarHBondContact O-N 3.09Å; C289-V291 PolarHBondContact O-N 3.41Å; C289-V291 WeakPolarHBondContact SG-CG1 3.46Å; C289-C311 VanDerWaalsContact SG-SG 3.68Å; C289-C314 VanDerWaalsContact SG-SG 3.66Å
290G92.8Very high94Very high33 Ų3353.7 Ų53.734%0.3430%0.297SS..  trans64.82.9176.800000115.4C286 W292C286-G290 WeakPolarHBondContact O-CA 3.48Å; C286-G290 PolarHBondContact O-N 3.19Å; G290-W292 PolarHBondContact O-N 3.45Å
291V92.6Very high94.3Very high43 Ų4358.5 Ų58.526%0.26130%0.301SS..  trans-72.5131.4-175.975.80000110.6T271 C286 C289 V293 C311T271-V291 WeakPolarHBondContact O-CG2 3.41Å; C286-V291 HydrophobicContact CB-CG1 3.73Å; C286-V291 WeakPolarHBondContact CB-O 3.33Å; C286-V291 PolarHBondContact N-O 3.25Å; C289-V291 PolarHBondContact O-N 3.41Å; C289-V291 WeakPolarHBondContact SG-CG1 3.46Å; V291-V293 HydrophobicContact CG1-CG2 4.08Å; V291-C311 HydrophobicContact CG1-CB 3.79Å
292W94.1Very high94.4Very high112 Ų11262.2 Ų62.242%0.42432%0.319SS..EExtended strand (participates in β ladder)trans-86.7130.3175.5-70.879.9000110.8T271 C272 M283 I284 E285 G290T271-W292 CarbonylContact C-O 3.21Å; T271-W292 WeakPolarHBondContact OG1-CB 3.4Å; C272-W292 WeakPolarHBondContact CA-O 3.43Å; C272-W292 PolarHBondContact N-O 3.45Å; M283-W292 HydrophobicContact CB-CE3 3.71Å; M283-W292 HydrophobicContact CB-CZ3 4.37Å; M283-W292 HydrophobicContact CE-CB 3.61Å; M283-W292 WeakPolarHBondContact CE-O 3.43Å; M283-W292 HydrophobicContact SD-CB 4.3Å; I284-W292 WeakPolarHBondContact O-CA 3.43Å; E285-W292 HydrophobicContact CB-CD2 4.12Å; E285-W292 HydrophobicContact CB-CE3 4.35Å; E285-W292 HydrophobicContact CB-CH2 4.33Å; E285-W292 HydrophobicContact CB-CZ2 4.06Å; E285-W292 HydrophobicContact CB-CZ3 4.47Å; E285-W292 HydrophobicContact CG-CZ2 4.39Å; G290-W292 PolarHBondContact O-N 3.45Å
293V94.8Very high94.4Very high0 Ų064.6 Ų64.60%034%0.337CS..EExtended strand (participates in β ladder)trans-128.4135.6-176.2-177.30000109Y273 M283 I284 V291 L295 C297 A298 F309 C311Y273-V293 HydrophobicContact CD1-CG1 4.14Å; Y273-V293 HydrophobicContact CD1-CG2 4.32Å; Y273-V293 HydrophobicContact CE1-CG1 3.44Å; Y273-V293 VanDerWaalsContact CE1-CG1 3.44Å; Y273-V293 HydrophobicContact CE1-CG2 4.24Å; M283-V293 CarbonylContact C-O 3.51Å; M283-V293 VanDerWaalsContact CA-O 3.27Å; M283-V293 WeakPolarHBondContact CA-O 3.44Å; I284-V293 WeakPolarHBondContact CG2-O 3.27Å; I284-V293 PolarHBondContact N-O 2.95Å; I284-V293 PolarHBondContact O-N 2.92Å; V291-V293 HydrophobicContact CG1-CG2 4.08Å; V293-L295 PolarHBondContact O-N 3.13Å; V293-C297 HydrophobicContact CG1-CB 3.91Å; V293-A298 HydrophobicContact CG1-CB 3.97Å; V293-F309 HydrophobicContact CB-CE1 4.21Å; V293-F309 HydrophobicContact CB-CZ 4.48Å; V293-F309 HydrophobicContact CG2-CE1 4.16Å; V293-C311 HydrophobicContact CG2-CB 4.42Å
294H94.9Very high94.4Very high0 Ų068.8 Ų68.80%036%0.36CS..EExtended strand (participates in β ladder)trans-61.5141173.3-57.3115.7000110.8C272 C274 K276 P277 P282 S296 C297 A298C272-H294 PolarHBondContact SG-N 3.48Å; C272-H294 VanDerWaalsContact SG-N 3.45Å; C274-H294 PolarHBondContact SG-ND1 3.04Å; K276-H294 PolarHBondContact O-CE1 3.18Å; P277-H294 PolarHBondContact O-CE1 3.02Å; P277-H294 PolarHBondContact O-NE2 3.45Å; P282-H294 CarbonylContact O-C 3.57Å; P282-H294 VanDerWaalsContact O-CA 3.31Å; P282-H294 WeakPolarHBondContact O-CA 3.42Å; H294-S296 PolarHBondContact O-N 2.88Å; H294-C297 HydrophobicContact CB-CB 4.17Å; H294-C297 CarbonylContact O-C 3.6Å; H294-C297 WeakPolarHBondContact O-CA 3.43Å; H294-C297 WeakPolarHBondContact O-CB 2.97Å; H294-C297 PolarHBondContact O-N 3.46Å; H294-A298 PolarHBondContact O-N 3.31Å
295L95.3Very high94.4Very high9 Ų971.4 Ų71.45%0.04738%0.377CS..Hα-helixtrans-55.1-38.9177.9-94.260.5000112.4P282 M283 I284 V293 C297 A298 K299 I300 K302 V305P282-L295 HydrophobicContact CB-CB 4.47Å; P282-L295 HydrophobicContact CB-CD1 4.19Å; P282-L295 HydrophobicContact CB-CD2 4.04Å; P282-L295 HydrophobicContact CB-CG 4.47Å; P282-L295 HydrophobicContact CG-CB 4.1Å; P282-L295 HydrophobicContact CG-CD2 4.28Å; P282-L295 PolarHBondContact O-N 2.7Å; M283-L295 VanDerWaalsContact C-CD1 3.46Å; I284-L295 HydrophobicContact CB-CD1 3.79Å; I284-L295 HydrophobicContact CG2-CD1 4Å; V293-L295 PolarHBondContact O-N 3.13Å; L295-C297 VanDerWaalsContact C-N 3.32Å; L295-C297 PolarHBondContact O-N 2.81Å; L295-A298 CarbonylContact O-C 3.51Å; L295-A298 PolarHBondContact O-N 3.43Å; L295-K299 PolarHBondContact O-N 3.26Å; L295-I300 HydrophobicContact CD2-CG2 4.44Å; L295-I300 HydrophobicContact CG-CB 4.22Å; L295-I300 HydrophobicContact CG-CG2 4.15Å; L295-I300 PolarHBondContact O-N 2.87Å; L295-K302 HydrophobicContact CD2-CG 3.96Å; L295-V305 HydrophobicContact CD2-CG2 3.74Å
296S94.8Very high94.4Very high71 Ų7169.8 Ų69.850%0.49737%0.374SS..Hα-helixtrans-64.2-35.8175.655.20000112.8R281 H294 K299R281-S296 PolarHBondContact NH2-OG 3.18Å; H294-S296 PolarHBondContact O-N 2.88Å; S296-K299 PolarHBondContact O-N 2.98Å
297C94.6Very high94.3Very high24 Ų2477.4 Ų77.416%0.16242%0.415CS..Hα-helixtrans-71.8-46.3176.3-650000109.5Y273 V293 H294 L295 K299Y273-C297 HydrophobicContact CE1-CB 4.4Å; Y273-C297 HydrophobicContact CE2-CB 4.02Å; Y273-C297 WeakPolarHBondContact OH-CB 3.2Å; Y273-C297 PolarHBondContact OH-O 3.43Å; V293-C297 HydrophobicContact CG1-CB 3.91Å; H294-C297 HydrophobicContact CB-CB 4.17Å; H294-C297 CarbonylContact O-C 3.6Å; H294-C297 WeakPolarHBondContact O-CA 3.43Å; H294-C297 WeakPolarHBondContact O-CB 2.97Å; H294-C297 PolarHBondContact O-N 3.46Å; L295-C297 VanDerWaalsContact C-N 3.32Å; L295-C297 PolarHBondContact O-N 2.81Å; C297-K299 PolarHBondContact O-N 3.17Å; C297-K299 VanDerWaalsContact O-N 3.07Å
298A94.2Very high94.3Very high23 Ų2377.8 Ų77.819%0.1942%0.416CS..Hα-helixtrans-65.4-8.117400000114.3I284 V293 H294 L295 I300 F309I284-A298 HydrophobicContact CG2-CB 4.21Å; V293-A298 HydrophobicContact CG1-CB 3.97Å; H294-A298 PolarHBondContact O-N 3.31Å; L295-A298 CarbonylContact O-C 3.51Å; L295-A298 PolarHBondContact O-N 3.43Å; A298-I300 VanDerWaalsContact C-N 3.25Å; A298-I300 HydrophobicContact CB-CD1 3.78Å; A298-I300 HydrophobicContact CB-CG1 4.03Å; A298-I300 PolarHBondContact O-N 3.36Å; A298-F309 HydrophobicContact CB-CE2 3.74Å; A298-F309 HydrophobicContact CB-CZ 3.61Å
299K94.4Very high94.4Very high196 Ų19674.2 Ų74.285%0.85240%0.399SS*.THydrogen-bonded Turntrans57.436.9-174-55.6-179.3-179-179.80112.7L295 S296 C297L295-K299 PolarHBondContact O-N 3.26Å; S296-K299 PolarHBondContact O-N 2.98Å; C297-K299 PolarHBondContact O-N 3.17Å; C297-K299 VanDerWaalsContact O-N 3.07Å
300I93.9Very high94.5Very high29 Ų2975.2 Ų75.215%0.14939%0.393CS..  trans-102.8131.4177.6-66.7169.8000108.6I284 L295 A298 V305 P306 F309I284-I300 HydrophobicContact CD1-CD1 3.94Å; I284-I300 HydrophobicContact CG2-CD1 4.29Å; L295-I300 HydrophobicContact CD2-CG2 4.44Å; L295-I300 HydrophobicContact CG-CB 4.22Å; L295-I300 HydrophobicContact CG-CG2 4.15Å; L295-I300 PolarHBondContact O-N 2.87Å; A298-I300 VanDerWaalsContact C-N 3.25Å; A298-I300 HydrophobicContact CB-CD1 3.78Å; A298-I300 HydrophobicContact CB-CG1 4.03Å; A298-I300 PolarHBondContact O-N 3.36Å; I300-V305 HydrophobicContact CG2-CG2 4.4Å; I300-P306 HydrophobicContact CD1-CG 4.02Å; I300-F309 HydrophobicContact CD1-CD2 3.55Å; I300-F309 HydrophobicContact CD1-CE2 3.74Å; I300-F309 HydrophobicContact CD1-CG 4.34Å
301K94.5Very high94.5Very high160 Ų16074 Ų7470%0.69638%0.379SS*.  trans-77.9138.8175.4-65.4-178.1-178.71790109.2S303 N304K301-S303 PolarHBondContact O-N 3.38Å; K301-S303 VanDerWaalsContact O-N 3.07Å; K301-N304 CarbonylContact O-C 3.4Å; K301-N304 PolarHBondContact O-N 3.32Å
302K92.8Very high94.5Very high156 Ų15677.1 Ų77.168%0.67839%0.391SS*.THydrogen-bonded Turntrans-55.1-25.3175.8-114.2155.8159.6170.40113.8P282 L295P282-K302 HydrophobicContact CG-CD 4.01Å; P282-K302 VanDerWaalsContact CG-CE 3.4Å; P282-K302 HydrophobicContact CG-CG 4.39Å; L295-K302 HydrophobicContact CD2-CG 3.96Å
303S93.8Very high94.3Very high92 Ų9279.4 Ų79.464%0.64340%0.404SS*.THydrogen-bonded Turntrans-78.1-19.8178.1670000114.4K301K301-S303 PolarHBondContact O-N 3.38Å; K301-S303 VanDerWaalsContact O-N 3.07Å
304N93.1Very high94.3Very high123 Ų12380 Ų8066%0.65841%0.408SS*.  trans-141.671.3-172.7-69.5-68.3000109K301K301-N304 CarbonylContact O-C 3.4Å; K301-N304 PolarHBondContact O-N 3.32Å
305V95.9Very high94.1Very high70 Ų7086.5 Ų86.542%0.42443%0.432SS..  trans-85.5119.8176.8-172.40000108I284 L295 I300I284-V305 HydrophobicContact CD1-CG1 3.85Å; L295-V305 HydrophobicContact CD2-CG2 3.74Å; I300-V305 HydrophobicContact CG2-CG2 4.4Å
306P95.4Very high93.7Very high58 Ų5889.1 Ų89.138%0.37745%0.447SS..  trans-73.9144.7179.430.6-33.8000111.1I284 I300 I308I284-P306 HydrophobicContact CD1-CG 4.23Å; I300-P306 HydrophobicContact CD1-CG 4.02Å; P306-I308 VanDerWaalsContact C-N 3.28Å; P306-I308 PolarHBondContact O-N 3.48Å
307D94.1Very high93.3Very high162 Ų16290.5 Ų90.587%0.86645%0.452SS*.SBendtrans-65-34.3175.1-62.9-23.4000112.1
308I95.7Very high92.5Very high104 Ų10495.7 Ų95.753%0.53347%0.468SS..SBendtrans-113.7119.4178.9-55177.2000109.2N287 P306 Y310N287-I308 HydrophobicContact CB-CG2 4.36Å; P306-I308 VanDerWaalsContact C-N 3.28Å; P306-I308 PolarHBondContact O-N 3.48Å; I308-Y310 HydrophobicContact CG2-CD2 4.47Å; I308-Y310 HydrophobicContact CG2-CE2 3.7Å
309F96.1Very high91.7Very high24 Ų24102.7 Ų102.711%0.10549%0.49CS..  trans-127.3138178.2172.4-107.3000112I284 C286 N287 V293 A298 I300 C311I284-F309 HydrophobicContact CB-CD1 4.44Å; I284-F309 HydrophobicContact CD1-CB 3.4Å; I284-F309 VanDerWaalsContact CD1-CB 3.4Å; I284-F309 HydrophobicContact CD1-CD1 4.22Å; I284-F309 HydrophobicContact CD1-CD2 4.32Å; I284-F309 HydrophobicContact CD1-CG 3.74Å; I284-F309 HydrophobicContact CG1-CB 3.85Å; I284-F309 HydrophobicContact CG1-CD1 3.99Å; I284-F309 HydrophobicContact CG1-CG 4.02Å; I284-F309 HydrophobicContact CG2-CD1 3.74Å; I284-F309 HydrophobicContact CG2-CE1 3.79Å; I284-F309 HydrophobicContact CG2-CG 4.14Å; I284-F309 HydrophobicContact CG2-CZ 4.23Å; C286-F309 HydrophobicContact CB-CD1 4.5Å; N287-F309 PolarHBondContact N-O 3.22Å; N287-F309 PolarHBondContact ND2-N 3.42Å; V293-F309 HydrophobicContact CB-CE1 4.21Å; V293-F309 HydrophobicContact CB-CZ 4.48Å; V293-F309 HydrophobicContact CG2-CE1 4.16Å; A298-F309 HydrophobicContact CB-CE2 3.74Å; A298-F309 HydrophobicContact CB-CZ 3.61Å; I300-F309 HydrophobicContact CD1-CD2 3.55Å; I300-F309 HydrophobicContact CD1-CE2 3.74Å; I300-F309 HydrophobicContact CD1-CG 4.34Å; F309-C311 HydrophobicContact CE1-CB 4.36Å
310Y95.8Very high90.4Very high91 Ų9197.1 Ų97.136%0.35748%0.475SS..  trans-120.8126.8172.2-59-70.6000109.7N287 Q288 I308N287-Y310 HydrophobicContact CB-CD1 4.41Å; N287-Y310 HydrophobicContact CB-CE1 4Å; Q288-Y310 HydrophobicContact CB-CD1 3.92Å; Q288-Y310 HydrophobicContact CB-CE1 4.16Å; I308-Y310 HydrophobicContact CG2-CD2 4.47Å; I308-Y310 HydrophobicContact CG2-CE2 3.7Å
311C94.1Very high88.9Confident6 Ų698.3 Ų98.34%0.04150%0.495CS..  trans-63.2165.3177.877.80000111.4C286 C289 V291 V293 F309 K313 C314 R315C286-C311 HydrophobicContact CB-CB 4.02Å; C286-C311 PolarHBondContact SG-N 3.43Å; C289-C311 VanDerWaalsContact SG-SG 3.68Å; V291-C311 HydrophobicContact CG1-CB 3.79Å; V293-C311 HydrophobicContact CG2-CB 4.42Å; F309-C311 HydrophobicContact CE1-CB 4.36Å; C311-K313 VanDerWaalsContact C-N 3.27Å; C311-K313 PolarHBondContact O-N 3.05Å; C311-C314 PolarHBondContact O-N 3.04Å; C311-C314 PolarHBondContact SG-N 3.37Å; C311-R315 WeakPolarHBondContact O-CB 3.41Å; C311-R315 PolarHBondContact O-N 2.87Å
312H91.6Very high87.2Confident110 Ų11099.2 Ų99.251%0.50950%0.502SS..Hα-helixtrans-54.4-43.6-178.2-175.824.9000112.4R315 D316H312-R315 PolarHBondContact O-N 3.13Å; H312-D316 IonicContact CD2-OD2 2.81Å; H312-D316 VanDerWaalsContact CE1-CG 3.48Å; H312-D316 IonicContact CE1-OD1 3.97Å; H312-D316 PolarHBondContact CE1-OD1 2.75Å; H312-D316 IonicContact CE1-OD2 3.23Å; H312-D316 PolarHBondContact CE1-OD2 3.38Å; H312-D316 IonicContact CG-OD2 2.9Å; H312-D316 IonicContact ND1-OD1 3.67Å; H312-D316 PolarHBondContact ND1-OD1 2.67Å; H312-D316 IonicContact ND1-OD2 3.53Å; H312-D316 PolarHBondContact ND1-OD2 3.33Å; H312-D316 IonicContact NE2-OD2 3.4Å; H312-D316 PolarHBondContact O-N 2.9Å
313K90.9Very high85.7Confident159 Ų159100.9 Ų100.969%0.69151%0.509SS*.Hα-helixtrans-60-51.3178.5-64176.7-176.3-83.30111.6C311 R315 D316 T317C311-K313 VanDerWaalsContact C-N 3.27Å; C311-K313 PolarHBondContact O-N 3.05Å; K313-R315 VanDerWaalsContact C-N 3.32Å; K313-R315 PolarHBondContact O-N 3.17Å; K313-D316 PolarHBondContact O-N 3.32Å; K313-T317 PolarHBondContact O-N 2.86Å; K313-T317 VanDerWaalsContact O-N 3.16Å; K313-T317 PolarHBondContact O-OG1 3.13Å; K313-T317 VanDerWaalsContact O-OG1 3.04Å
314C93.5Very high83.9Confident13 Ų13104.9 Ų104.99%0.08852%0.515CS..Hα-helixtrans-66.4-33.6179.5-64.40000112.8Q288 C289 C311 R318Q288-C314 HydrophobicContact CB-CB 4.12Å; Q288-C314 HydrophobicContact CG-CB 4.32Å; C289-C314 VanDerWaalsContact SG-SG 3.66Å; C311-C314 PolarHBondContact O-N 3.04Å; C311-C314 PolarHBondContact SG-N 3.37Å; C314-R318 WeakPolarHBondContact O-CG 3.44Å; C314-R318 PolarHBondContact O-N 3.31Å
315R90.8Very high82Confident136 Ų136106.6 Ų106.651%0.51352%0.524SS..Hα-helixtrans-68.1-38.9177.1-164.1176.777.8-173.44.1111.9C311 H312 K313 R318 R319C311-R315 WeakPolarHBondContact O-CB 3.41Å; C311-R315 PolarHBondContact O-N 2.87Å; H312-R315 PolarHBondContact O-N 3.13Å; K313-R315 VanDerWaalsContact C-N 3.32Å; K313-R315 PolarHBondContact O-N 3.17Å; R315-R318 PolarHBondContact O-N 3.31Å; R315-R319 WeakPolarHBondContact O-CG 3.36Å; R315-R319 PolarHBondContact O-N 2.91Å
316D87.5Confident80.5Confident65 Ų65112.7 Ų112.735%0.34857%0.565SS.*Hα-helixtrans-72-39-179.2-62.9-19000111.8H312 K313 R318 R319 S320H312-D316 IonicContact CD2-OD2 2.81Å; H312-D316 VanDerWaalsContact CE1-CG 3.48Å; H312-D316 IonicContact CE1-OD1 3.97Å; H312-D316 PolarHBondContact CE1-OD1 2.75Å; H312-D316 IonicContact CE1-OD2 3.23Å; H312-D316 PolarHBondContact CE1-OD2 3.38Å; H312-D316 IonicContact CG-OD2 2.9Å; H312-D316 IonicContact ND1-OD1 3.67Å; H312-D316 PolarHBondContact ND1-OD1 2.67Å; H312-D316 IonicContact ND1-OD2 3.53Å; H312-D316 PolarHBondContact ND1-OD2 3.33Å; H312-D316 IonicContact NE2-OD2 3.4Å; H312-D316 PolarHBondContact O-N 2.9Å; K313-D316 PolarHBondContact O-N 3.32Å; D316-R318 VanDerWaalsContact C-N 3.28Å; D316-R318 PolarHBondContact O-N 3.24Å; D316-R319 PolarHBondContact O-N 2.97Å; D316-S320 PolarHBondContact O-N 3.08Å; D316-S320 PolarHBondContact O-OG 2.99Å
317T86.4Confident79.8Confident100 Ų100115.4 Ų115.461%0.61357%0.574SS**Hα-helixtrans-59.1-38.1174-52.90000112.3K313 S320 G321K313-T317 PolarHBondContact O-N 2.86Å; K313-T317 VanDerWaalsContact O-N 3.16Å; K313-T317 PolarHBondContact O-OG1 3.13Å; K313-T317 VanDerWaalsContact O-OG1 3.04Å; T317-S320 PolarHBondContact O-OG 3.32Å; T317-S320 VanDerWaalsContact O-OG 3.08Å; T317-G321 PolarHBondContact O-N 3.47Å
318R78.3Confident79Confident132 Ų132112.9 Ų112.950%0.49856%0.559SS.*Hα-helixtrans-72.1-35.8176.5-69.3-175.2-173.1-105.86.1112.6Q288 C314 R315 D316Q288-R318 VanDerWaalsContact CD-NH2 3.28Å; Q288-R318 VanDerWaalsContact OE1-CZ 3.28Å; C314-R318 WeakPolarHBondContact O-CG 3.44Å; C314-R318 PolarHBondContact O-N 3.31Å; R315-R318 PolarHBondContact O-N 3.31Å; D316-R318 VanDerWaalsContact C-N 3.28Å; D316-R318 PolarHBondContact O-N 3.24Å
319R76.6Confident78.1Confident170 Ų170113.4 Ų113.464%0.64256%0.56SS**Hα-helixtrans-74.5-32179-74.9-176.3179.5-80.40.4113.1R315 D316R315-R319 WeakPolarHBondContact O-CG 3.36Å; R315-R319 PolarHBondContact O-N 2.91Å; D316-R319 PolarHBondContact O-N 2.97Å
320S68.7Low77Confident79 Ų79118.7 Ų118.755%0.55259%0.587SS**Hα-helixtrans-72.6-30.3177.162.70000112.7D316 T317D316-S320 PolarHBondContact O-N 3.08Å; D316-S320 PolarHBondContact O-OG 2.99Å; T317-S320 PolarHBondContact O-OG 3.32Å; T317-S320 VanDerWaalsContact O-OG 3.08Å
321G61Low75.8Confident54 Ų54120.4 Ų120.456%0.55760%0.601SS**Hα-helixtrans-69.2-27.4175.100000114.8T317 K323T317-G321 PolarHBondContact O-N 3.47Å; G321-K323 VanDerWaalsContact C-N 3.34Å; G321-K323 PolarHBondContact O-N 2.88Å
322Q60Low74.6Confident180 Ų180128.1 Ų128.184%0.84164%0.639SS**THydrogen-bonded Turntrans-85.31.1-179.7-72.6-158.3-41.700114.9
323K59.7Low73.4Confident191 Ų191129.4 Ų129.483%0.8365%0.648SS**THydrogen-bonded Turntrans-99.911.9177.7-79.4-170.9174.2-177.80114.3G321G321-K323 VanDerWaalsContact C-N 3.34Å; G321-K323 PolarHBondContact O-N 2.88Å
324K55.8Low72.1Confident175 Ų175127.1 Ų127.176%0.76164%0.644SS**  trans-11389.8172.3-76.4-174.6175.2-1770109.4
325D54.5Low70.3Confident160 Ų160136.6 Ų136.686%0.85669%0.691SS**  trans-167.4114.3131.9-96.3-46.8000108.5
326P64.3Low68.4Low197 Ų197136.6 Ų136.6100%1.27971%0.707SS**  trans-780171.532-33.2000113.8

Retrieved 326 of 326 residues in 97.5 ms (Link to these results)