A0A060X5M1_ONCMY Loading...

Serine/threonine/tyrosine interacting protein

AlphaFold DB , UniProt , Accession A0A060X5M1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene styx, Length 223 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
1M46.1Very low67.9Low235 Ų235134.2 Ų134.2100%1.15868%0.68SS**  0122.30-81171171.300105.4
2D48.1Very low69.7Low159 Ų159126.3 Ų126.385%0.8564%0.641SS**  trans149.717.6169.2-73.5-10.4000113.3
3E51.8Low71.1Confident152 Ų152119.8 Ų119.871%0.7161%0.612SS**SBendtrans-89.4-11.8171.2-83-142.1119.500114.6N5 K6E3-N5 PolarHBondContact O-N 3.22Å; E3-K6 IonicContact OE1-NZ 2.71Å; E3-K6 PolarHBondContact OE1-NZ 3.2Å
4E53.6Low71.7Confident200 Ų200119.4 Ų119.494%0.93562%0.622SS**THydrogen-bonded Turntrans-82.4-2.4-171.2-95.6176164.800115.6
5N56.9Low71.5Confident106 Ų106115.3 Ų115.357%0.56761%0.607SS**THydrogen-bonded Turntrans-122.228.4-175-137.18.9000114.2E3E3-N5 PolarHBondContact O-N 3.22Å
6K66Low71Confident134 Ų134118 Ų11858%0.58361%0.612SS**PPolyproline II helixtrans-77.6131.3169.7-71.6175.5-176.41650109.1E3 Q8E3-K6 IonicContact OE1-NZ 2.71Å; E3-K6 PolarHBondContact OE1-NZ 3.2Å; K6-Q8 PolarHBondContact O-N 3.34Å; K6-Q8 VanDerWaalsContact O-N 3.13Å
7L72.4Confident70.1Confident52 Ų52122.5 Ų122.527%0.27263%0.629SS.*PPolyproline II helixtrans-53.9118.3172.9-72.3163.6000109.5F9 L179 M183L7-F9 HydrophobicContact CB-CD2 4.09Å; L7-F9 HydrophobicContact CB-CE2 3.42Å; L7-F9 VanDerWaalsContact CB-CE2 3.42Å; L7-F9 HydrophobicContact CB-CZ 3.96Å; L7-F9 HydrophobicContact CD1-CE2 4.18Å; L7-F9 HydrophobicContact CD1-CZ 4.15Å; L7-F9 HydrophobicContact CG-CE2 4.33Å; L7-F9 HydrophobicContact CG-CZ 4.48Å; L7-L179 HydrophobicContact CD1-CB 4.14Å; L7-L179 HydrophobicContact CD1-CD1 4.36Å; L7-L179 HydrophobicContact CD2-CB 3.48Å; L7-L179 VanDerWaalsContact CD2-CB 3.48Å; L7-L179 HydrophobicContact CD2-CD1 4.09Å; L7-L179 HydrophobicContact CD2-CG 4.34Å; L7-L179 HydrophobicContact CG-CB 4.49Å; L7-M183 HydrophobicContact CD2-SD 3.36Å; L7-M183 WeakPolarHBondContact CD2-SD 3.2Å; L7-M183 HydrophobicContact CG-SD 4.28Å
8Q81.6Confident69.4Low189 Ų189123.1 Ų123.188%0.88363%0.634SS**PPolyproline II helixtrans-91.7121.3174-70.4-171.29.400109.2K6K6-Q8 PolarHBondContact O-N 3.34Å; K6-Q8 VanDerWaalsContact O-N 3.13Å
9F88.1Confident68.7Low68 Ų68125.4 Ų125.430%0.29865%0.646SS.*  trans-115.6146.3175.5-64.8-83.5000110.4L7 F140 G141 Y175 L179L7-F9 HydrophobicContact CB-CD2 4.09Å; L7-F9 HydrophobicContact CB-CE2 3.42Å; L7-F9 VanDerWaalsContact CB-CE2 3.42Å; L7-F9 HydrophobicContact CB-CZ 3.96Å; L7-F9 HydrophobicContact CD1-CE2 4.18Å; L7-F9 HydrophobicContact CD1-CZ 4.15Å; L7-F9 HydrophobicContact CG-CE2 4.33Å; L7-F9 HydrophobicContact CG-CZ 4.48Å; F9-F140 VanDerWaalsContact CB-C 3.48Å; F9-F140 VanDerWaalsContact CB-O 3.26Å; F9-F140 WeakPolarHBondContact CB-O 3.31Å; F9-G141 VanDerWaalsContact CD1-N 3.32Å; F9-G141 VanDerWaalsContact CG-CA 3.48Å; F9-Y175 HydrophobicContact CZ-CE2 4.4Å; F9-L179 HydrophobicContact CE1-CD1 3.78Å; F9-L179 HydrophobicContact CZ-CD1 3.65Å
10P91.3Very high68.3Low75 Ų75124.5 Ų124.549%0.48764%0.642SS.*PPolyproline II helixtrans-63.2151.3168.528.7-34000110.3T139 F140P10-T139 WeakPolarHBondContact CD-O 3.36Å; P10-T139 WeakPolarHBondContact CG-O 3.43Å; P10-F140 HydrophobicContact CB-CD1 4.18Å; P10-F140 HydrophobicContact CB-CE1 4.34Å; P10-F140 HydrophobicContact CG-CD1 3.8Å; P10-F140 HydrophobicContact CG-CE1 4.09Å; P10-F140 WeakPolarHBondContact O-CD1 3.16Å
11S90.7Very high68.4Low106 Ų106126 Ų12674%0.74165%0.652SS**PPolyproline II helixtrans-74.4146.9171.559.30000110.9F140S11-F140 WeakPolarHBondContact O-CD1 3.43Å; S11-F140 WeakPolarHBondContact O-CE1 3.16Å
12L90.1Very high69.7Low39 Ų39119.3 Ų119.320%0.20461%0.613CS.*PPolyproline II helixtrans-58.5139.1170-79173.4000110.3L136 F140 V142 H150L12-L136 HydrophobicContact CD2-CD2 3.98Å; L12-L136 HydrophobicContact CD2-CG 4.22Å; L12-F140 HydrophobicContact CD2-CB 3.93Å; L12-F140 HydrophobicContact CD2-CD1 3.93Å; L12-F140 HydrophobicContact CD2-CD2 3.56Å; L12-F140 HydrophobicContact CD2-CE1 4.35Å; L12-F140 HydrophobicContact CD2-CE2 4.03Å; L12-F140 HydrophobicContact CD2-CG 3.52Å; L12-F140 HydrophobicContact CD2-CZ 4.39Å; L12-F140 HydrophobicContact CG-CB 4.05Å; L12-F140 HydrophobicContact CG-CD1 4.3Å; L12-F140 HydrophobicContact CG-CG 4.06Å; L12-V142 HydrophobicContact CD1-CB 4.45Å; L12-V142 HydrophobicContact CD1-CG1 3.94Å; L12-V142 HydrophobicContact CD1-CG2 4.1Å; L12-V142 HydrophobicContact CG-CG1 4.12Å; L12-H150 HydrophobicContact CD1-CB 4.24Å
13P87.6Confident71.4Confident42 Ų42114 Ų11427%0.27359%0.591SS.*PPolyproline II helixtrans-59.4139.4172.2-23.534.1000110.6L34 H150P13-L34 HydrophobicContact CG-CD2 3.76Å; P13-H150 PolarHBondContact O-CE1 2.95Å; P13-H150 VanDerWaalsContact O-CE1 3.27Å
14P79.8Confident73Confident114 Ų114113.2 Ų113.274%0.7458%0.583SS**PPolyproline II helixtrans-58.3150.1177.424.9-33.2000110.9R154P14-R154 PolarHBondContact O-NH2 3.24Å; P14-R154 VanDerWaalsContact O-NH2 3.13Å
15C67.8Low74.7Confident59 Ų59107.6 Ų107.640%0.39956%0.564SS.*PPolyproline II helixtrans-63.6135.8166.6-155.20000108.5E17 E153C15-E17 PolarHBondContact O-N 3.34Å; C15-E153 WeakPolarHBondContact CB-OE2 3.27Å; C15-E153 PolarHBondContact SG-OE2 3.09Å
16K63.4Low76.3Confident158 Ų158104.4 Ų104.469%0.68755%0.546SS*.PPolyproline II helixtrans-64.3129.3175-69.9-177.4178176.60107D18K16-D18 CarbonylContact O-C 3.51Å; K16-D18 PolarHBondContact O-N 2.92Å; K16-D18 VanDerWaalsContact O-N 3.08Å
17E57.1Low77.7Confident195 Ų195102.2 Ų102.291%0.91153%0.534SS*.SBendtrans-60.9-15.6-178.9-72.9-178.8160.600113.2C15 L19C15-E17 PolarHBondContact O-N 3.34Å; E17-L19 PolarHBondContact O-N 3.22Å
18D56.1Low78.7Confident133 Ų133107.8 Ų107.871%0.71155%0.551SS**SBendtrans-6883.8162.9-59.5-32.9000108.4K16 L20K16-D18 CarbonylContact O-C 3.51Å; K16-D18 PolarHBondContact O-N 2.92Å; K16-D18 VanDerWaalsContact O-N 3.08Å; D18-L20 VanDerWaalsContact C-N 3.27Å; D18-L20 PolarHBondContact O-N 2.93Å
19L57Low79.4Confident166 Ų166104 Ų10487%0.86953%0.534SS*.  trans-44.899.9161.2-74.5165000106.9E17 D21E17-L19 PolarHBondContact O-N 3.22Å; L19-D21 PolarHBondContact O-N 2.74Å
20L59.8Low79.8Confident108 Ų108102 Ų10257%0.56553%0.526SS*.  trans-54118.1175.1-88.2142.3000106.2D18 W22 M26D18-L20 VanDerWaalsContact C-N 3.27Å; D18-L20 PolarHBondContact O-N 2.93Å; L20-W22 PolarHBondContact O-N 2.81Å; L20-M26 HydrophobicContact CD2-CE 3.99Å
21D70.3Confident80.1Confident157 Ų15799.3 Ų99.384%0.8451%0.507SS*.  trans-59.184.1165.1-85.3-27.7000106.8L19 A23L19-D21 PolarHBondContact O-N 2.74Å; D21-A23 PolarHBondContact O-N 3Å
22W74.6Confident80.4Confident93 Ų9398 Ų9835%0.35249%0.489SS..  trans-66.5112.1-178-179.885.4000107.2L20 Y24 F156 C157L20-W22 PolarHBondContact O-N 2.81Å; W22-Y24 AromaticContact CH2-CD2 3.78Å; W22-Y24 HydrophobicContact CH2-CD2 3.78Å; W22-Y24 HydrophobicContact CH2-CG 4.37Å; W22-F156 HydrophobicContact CD2-CB 3.87Å; W22-F156 HydrophobicContact CD2-CD1 4.09Å; W22-F156 HydrophobicContact CD2-CG 4.23Å; W22-F156 HydrophobicContact CE3-CD1 4.07Å; W22-F156 HydrophobicContact CG-CB 3.8Å; W22-F156 HydrophobicContact CG-CG 4.44Å; W22-F156 HydrophobicContact CH2-CD1 4.06Å; W22-F156 HydrophobicContact CZ2-CB 4.38Å; W22-F156 HydrophobicContact CZ2-CD1 4.13Å; W22-F156 HydrophobicContact CZ3-CD1 4.06Å; W22-C157 HydrophobicContact CZ2-CB 4.41Å
23A84.4Confident80.8Confident47 Ų4796.1 Ų96.139%0.38848%0.479SS..  trans-100.6134.8171.800000108.6D21 P25 M26D21-A23 PolarHBondContact O-N 3Å; A23-P25 WeakPolarHBondContact O-CD 3.46Å; A23-M26 HydrophobicContact CB-CG 4.32Å; A23-M26 HydrophobicContact CB-SD 4.33Å; A23-M26 PolarHBondContact N-SD 3.28Å; A23-M26 VanDerWaalsContact N-SD 3.38Å; A23-M26 VanDerWaalsContact O-CB 3.24Å; A23-M26 WeakPolarHBondContact O-CB 3.31Å; A23-M26 VanDerWaalsContact O-CG 3.31Å; A23-M26 WeakPolarHBondContact O-CG 3.4Å; A23-M26 PolarHBondContact O-N 2.7Å
24Y84.1Confident81.2Confident136 Ų13694.6 Ų94.653%0.53347%0.469SS..G310 helixtrans-44.8-37.3177.2-176.3-97.1000115W22 M26 R27W22-Y24 AromaticContact CH2-CD2 3.78Å; W22-Y24 HydrophobicContact CH2-CD2 3.78Å; W22-Y24 HydrophobicContact CH2-CG 4.37Å; Y24-M26 PolarHBondContact O-N 3.48Å; Y24-R27 VanDerWaalsContact CE1-NE 3.26Å; Y24-R27 VanDerWaalsContact CZ-CZ 3.49Å; Y24-R27 VanDerWaalsContact CZ-NE 3.26Å; Y24-R27 WeakPolarHBondContact O-CD 3.34Å; Y24-R27 WeakPolarHBondContact O-CG 3.48Å; Y24-R27 PolarHBondContact O-N 2.98Å; Y24-R27 PolarHBondContact OH-NE 3.12Å; Y24-R27 PolarHBondContact OH-NH1 3.45Å; Y24-R27 PolarHBondContact OH-NH2 3.44Å; Y24-R27 VanDerWaalsContact OH-NH2 3.11Å
25P90.2Very high82Confident83 Ų8394 Ų9454%0.53947%0.465SS..G310 helixtrans-58.3-28.5174.8-26.937.5000115.3A23 R27 R28A23-P25 WeakPolarHBondContact O-CD 3.46Å; P25-R27 PolarHBondContact O-N 3.18Å; P25-R28 WeakPolarHBondContact O-CB 3.38Å; P25-R28 PolarHBondContact O-N 3.07Å
26M90.9Very high83.4Confident39 Ų3991.4 Ų91.419%0.19245%0.448CS..G310 helixtrans-60.4-20.2-179.1-62.7174.77200112.8L20 A23 Y24 R28 E29 Q31L20-M26 HydrophobicContact CD2-CE 3.99Å; A23-M26 HydrophobicContact CB-CG 4.32Å; A23-M26 HydrophobicContact CB-SD 4.33Å; A23-M26 PolarHBondContact N-SD 3.28Å; A23-M26 VanDerWaalsContact N-SD 3.38Å; A23-M26 VanDerWaalsContact O-CB 3.24Å; A23-M26 WeakPolarHBondContact O-CB 3.31Å; A23-M26 VanDerWaalsContact O-CG 3.31Å; A23-M26 WeakPolarHBondContact O-CG 3.4Å; A23-M26 PolarHBondContact O-N 2.7Å; Y24-M26 PolarHBondContact O-N 3.48Å; M26-R28 PolarHBondContact O-N 2.67Å; M26-E29 PolarHBondContact O-N 3.43Å; M26-Q31 PolarHBondContact O-NE2 2.96Å
27R94Very high85.1Confident88 Ų8883.9 Ų83.933%0.33242%0.415SS..G310 helixtrans-55.7-23172.779.4-171.9-172.8120.5-5.1113.6Y24 P25 E29 P41 R155 C157Y24-R27 VanDerWaalsContact CE1-NE 3.26Å; Y24-R27 VanDerWaalsContact CZ-CZ 3.49Å; Y24-R27 VanDerWaalsContact CZ-NE 3.26Å; Y24-R27 WeakPolarHBondContact O-CD 3.34Å; Y24-R27 WeakPolarHBondContact O-CG 3.48Å; Y24-R27 PolarHBondContact O-N 2.98Å; Y24-R27 PolarHBondContact OH-NE 3.12Å; Y24-R27 PolarHBondContact OH-NH1 3.45Å; Y24-R27 PolarHBondContact OH-NH2 3.44Å; Y24-R27 VanDerWaalsContact OH-NH2 3.11Å; P25-R27 PolarHBondContact O-N 3.18Å; R27-E29 VanDerWaalsContact C-N 3.35Å; R27-P41 WeakPolarHBondContact O-CG 3.26Å; R27-R155 PolarHBondContact O-NH2 3.16Å; R27-C157 HydrophobicContact CB-CB 4.48Å
28R94.4Very high87.1Confident168 Ų16875 Ų7563%0.63437%0.373SS*.G310 helixtrans-84.9-7.3179.5-65-177.7173.6176-0.7113.9P25 M26 P41 S43P25-R28 WeakPolarHBondContact O-CB 3.38Å; P25-R28 PolarHBondContact O-N 3.07Å; M26-R28 PolarHBondContact O-N 2.67Å; R28-P41 WeakPolarHBondContact O-CG 3.46Å; R28-S43 PolarHBondContact O-OG 3.41Å
29E95.8Very high89.1Confident111 Ų11168.6 Ų68.652%0.51934%0.34SS..SBendtrans-110.2165.8-178.3-61.2178-175.300110.2M26 R27 Q31 P41 R155M26-E29 PolarHBondContact O-N 3.43Å; R27-E29 VanDerWaalsContact C-N 3.35Å; E29-Q31 PolarHBondContact O-NE2 2.9Å; E29-Q31 VanDerWaalsContact O-NE2 3.09Å; E29-Q31 PolarHBondContact O-OE1 3.37Å; E29-P41 WeakPolarHBondContact O-CD 3.1Å; E29-R155 PolarHBondContact O-NH1 3.01Å
30M97.3Very high91.1Very high24 Ų2460.7 Ų60.712%0.11830%0.298CS..  trans-88.3145.7169.466.2-171.9-17200109.9F38 L39 A44 I52 L53 Q56 I58 L118M30-F38 HydrophobicContact CB-CB 4.48Å; M30-F38 HydrophobicContact CE-CD1 4.24Å; M30-F38 HydrophobicContact CE-CE1 4.45Å; M30-F38 HydrophobicContact CG-CD1 4.06Å; M30-F38 HydrophobicContact SD-CB 4.41Å; M30-F38 HydrophobicContact SD-CD1 4.27Å; M30-F38 HydrophobicContact SD-CG 4.5Å; M30-L39 CarbonylContact C-O 3.54Å; M30-L39 WeakPolarHBondContact CA-O 3.29Å; M30-A44 HydrophobicContact CB-CB 4.04Å; M30-A44 HydrophobicContact CG-CB 4.46Å; M30-I52 HydrophobicContact CE-CG2 4.31Å; M30-L53 HydrophobicContact CE-CD2 4.34Å; M30-L53 HydrophobicContact SD-CD2 4.14Å; M30-Q56 HydrophobicContact CE-CB 3.62Å; M30-Q56 HydrophobicContact CE-CG 3.52Å; M30-I58 HydrophobicContact CE-CD1 4.38Å; M30-I58 HydrophobicContact CE-CG1 4.09Å; M30-L118 HydrophobicContact CB-CD1 3.7Å; M30-L118 HydrophobicContact CG-CD1 4.44Å; M30-L118 HydrophobicContact SD-CD1 3.94Å; M30-L118 HydrophobicContact SD-CD2 3.86Å; M30-L118 HydrophobicContact SD-CG 4.33Å
31Q96.8Very high92.9Very high20 Ų2055.8 Ų55.89%0.09327%0.273CS..EExtended strand (participates in β ladder)trans-120.6142.9174.6-68.576.843.300109.9M26 E29 I33 F38 L39 R154M26-Q31 PolarHBondContact O-NE2 2.96Å; E29-Q31 PolarHBondContact O-NE2 2.9Å; E29-Q31 VanDerWaalsContact O-NE2 3.09Å; E29-Q31 PolarHBondContact O-OE1 3.37Å; Q31-I33 PolarHBondContact O-N 2.88Å; Q31-F38 CarbonylContact O-C 3.47Å; Q31-F38 VanDerWaalsContact O-CA 3.28Å; Q31-F38 WeakPolarHBondContact O-CA 3.27Å; Q31-L39 PolarHBondContact N-O 3.03Å; Q31-L39 PolarHBondContact O-N 3.02Å; Q31-R154 WeakPolarHBondContact CB-O 3.4Å; Q31-R154 WeakPolarHBondContact CG-O 3.5Å
32E97.1Very high94.2Very high77 Ų7749.2 Ų49.236%0.3624%0.236SC..EExtended strand (participates in β ladder)trans-74.5121.1173.3-167.1171.6-146.800109.2L34 P35 G36 F38 R154E32-L34 WeakPolarHBondContact CG-O 3.18Å; E32-P35 WeakPolarHBondContact OE1-CA 3.43Å; E32-G36 PolarHBondContact OE1-N 3.13Å; E32-F38 HydrophobicContact CB-CD1 3.92Å; E32-F38 HydrophobicContact CB-CE1 3.59Å; E32-F38 HydrophobicContact CB-CZ 3.91Å; E32-F38 HydrophobicContact CG-CD1 4.5Å; E32-F38 HydrophobicContact CG-CE1 4.09Å; E32-F38 HydrophobicContact CG-CE2 4.15Å; E32-F38 HydrophobicContact CG-CZ 3.89Å; E32-R154 WeakPolarHBondContact O-CD 3.25Å
33I97.5Very high95.3Very high1 Ų146.6 Ų46.61%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-94.2-41.8-178.7-56.1-52.5000110.6Q31 L37 L39 V132 L136 H150 V151 R154 R155Q31-I33 PolarHBondContact O-N 2.88Å; I33-L37 PolarHBondContact N-O 3.19Å; I33-L39 HydrophobicContact CD1-CB 4.01Å; I33-L39 HydrophobicContact CG1-CB 3.62Å; I33-V132 HydrophobicContact CB-CG1 4.42Å; I33-V132 HydrophobicContact CG1-CG1 4.33Å; I33-V132 HydrophobicContact CG2-CG1 3.96Å; I33-L136 HydrophobicContact CG2-CD1 4.19Å; I33-L136 HydrophobicContact CG2-CD2 4.47Å; I33-H150 PolarHBondContact O-NE2 3.47Å; I33-H150 VanDerWaalsContact O-NE2 3.08Å; I33-V151 HydrophobicContact CD1-CG1 4.02Å; I33-V151 HydrophobicContact CG1-CG1 4.43Å; I33-V151 HydrophobicContact CG2-CB 4.4Å; I33-V151 HydrophobicContact CG2-CG1 4.32Å; I33-V151 HydrophobicContact CG2-CG2 3.86Å; I33-R154 HydrophobicContact CD1-CB 3.78Å; I33-R154 WeakPolarHBondContact O-CD 3.29Å; I33-R154 PolarHBondContact O-NE 3.01Å; I33-R154 VanDerWaalsContact O-NE 3.12Å; I33-R155 HydrophobicContact CD1-CB 4.3Å
34L96.8Very high95.9Very high10 Ų1044.8 Ų44.85%0.05222%0.217CC..EExtended strand (participates in β ladder)trans-137.1160171-62169.9000107.5P13 E32 G36 L37 Y135 L136 F140 H150P13-L34 HydrophobicContact CG-CD2 3.76Å; E32-L34 WeakPolarHBondContact CG-O 3.18Å; L34-G36 PolarHBondContact O-N 3.16Å; L34-L37 HydrophobicContact CB-CB 4.17Å; L34-L37 HydrophobicContact CD1-CD2 4.08Å; L34-L37 PolarHBondContact N-O 3.31Å; L34-L37 PolarHBondContact O-N 2.91Å; L34-Y135 HydrophobicContact CD1-CD1 4.45Å; L34-Y135 HydrophobicContact CD1-CE1 3.95Å; L34-L136 HydrophobicContact CD1-CD1 3.78Å; L34-L136 HydrophobicContact CD1-CG 4.09Å; L34-L136 HydrophobicContact CG-CD1 4.34Å; L34-F140 HydrophobicContact CD1-CE2 3.53Å; L34-F140 HydrophobicContact CD1-CZ 3.86Å; L34-F140 HydrophobicContact CD2-CE2 4.34Å; L34-F140 HydrophobicContact CD2-CZ 4.17Å; L34-H150 WeakPolarHBondContact CD2-NE2 3.2Å
35P96.4Very high96.6Very high101 Ų10138.4 Ų38.466%0.65619%0.192SC*.THydrogen-bonded Turntrans-47.1112.6173.6-29.436.7000111.8E32 L37E32-P35 WeakPolarHBondContact OE1-CA 3.43Å; P35-L37 PolarHBondContact O-N 3.36Å
36G97.8Very high96.9Very high5 Ų538.1 Ų38.15%0.05219%0.185CC..THydrogen-bonded Turntrans80.7-1.5-179.200000117.4E32 L34 K116 V117E32-G36 PolarHBondContact OE1-N 3.13Å; L34-G36 PolarHBondContact O-N 3.16Å; G36-K116 CarbonylContact O-C 3.37Å; G36-K116 VanDerWaalsContact O-CA 3.27Å; G36-K116 WeakPolarHBondContact O-CA 3Å; G36-K116 WeakPolarHBondContact O-CB 3.41Å; G36-V117 PolarHBondContact O-N 3.11Å
37L98.8Very high97.2Very high0 Ų043.4 Ų43.40%021%0.207CC..EExtended strand (participates in β ladder)trans-110.8115.9173.3173.561.7000110.5I33 L34 P35 I107 V117 V119 V132 Y135 L136I33-L37 PolarHBondContact N-O 3.19Å; L34-L37 HydrophobicContact CB-CB 4.17Å; L34-L37 HydrophobicContact CD1-CD2 4.08Å; L34-L37 PolarHBondContact N-O 3.31Å; L34-L37 PolarHBondContact O-N 2.91Å; P35-L37 PolarHBondContact O-N 3.36Å; L37-I107 HydrophobicContact CD1-CD1 4.1Å; L37-I107 HydrophobicContact CD1-CG1 4.42Å; L37-I107 HydrophobicContact CD1-CG2 4.28Å; L37-V117 HydrophobicContact CB-CG1 4.48Å; L37-V117 HydrophobicContact CD1-CG1 3.66Å; L37-V119 HydrophobicContact CD1-CG2 3.8Å; L37-V132 HydrophobicContact CD2-CG1 4.22Å; L37-Y135 HydrophobicContact CD2-CD1 3.51Å; L37-Y135 HydrophobicContact CD2-CE1 3.67Å; L37-L136 HydrophobicContact CD2-CD1 4.34Å
38F98.8Very high97.3Very high7 Ų743.7 Ų43.73%0.03122%0.222CC..EExtended strand (participates in β ladder)trans-110.4146.4-179.9-66.4-104.1000111.6M30 Q31 E32 I58 K116 V117 L118 V119M30-F38 HydrophobicContact CB-CB 4.48Å; M30-F38 HydrophobicContact CE-CD1 4.24Å; M30-F38 HydrophobicContact CE-CE1 4.45Å; M30-F38 HydrophobicContact CG-CD1 4.06Å; M30-F38 HydrophobicContact SD-CB 4.41Å; M30-F38 HydrophobicContact SD-CD1 4.27Å; M30-F38 HydrophobicContact SD-CG 4.5Å; Q31-F38 CarbonylContact O-C 3.47Å; Q31-F38 VanDerWaalsContact O-CA 3.28Å; Q31-F38 WeakPolarHBondContact O-CA 3.27Å; E32-F38 HydrophobicContact CB-CD1 3.92Å; E32-F38 HydrophobicContact CB-CE1 3.59Å; E32-F38 HydrophobicContact CB-CZ 3.91Å; E32-F38 HydrophobicContact CG-CD1 4.5Å; E32-F38 HydrophobicContact CG-CE1 4.09Å; E32-F38 HydrophobicContact CG-CE2 4.15Å; E32-F38 HydrophobicContact CG-CZ 3.89Å; F38-I58 HydrophobicContact CD2-CD1 3.61Å; F38-I58 HydrophobicContact CE2-CD1 3.96Å; F38-I58 HydrophobicContact CG-CD1 4.13Å; F38-K116 HydrophobicContact CE2-CB 4.39Å; F38-K116 HydrophobicContact CE2-CD 4.3Å; F38-V117 PolarHBondContact N-O 3.5Å; F38-L118 HydrophobicContact CB-CB 4.41Å; F38-L118 HydrophobicContact CB-CD1 3.88Å; F38-V119 PolarHBondContact O-N 3.06Å
39L98.8Very high97.5Very high0 Ų039 Ų390%021%0.206CC..EExtended strand (participates in β ladder)trans-122.7134.1171.8174.860.3000109.9M30 Q31 I33 V119 S128 A129 V132 V151 I158M30-L39 CarbonylContact C-O 3.54Å; M30-L39 WeakPolarHBondContact CA-O 3.29Å; Q31-L39 PolarHBondContact N-O 3.03Å; Q31-L39 PolarHBondContact O-N 3.02Å; I33-L39 HydrophobicContact CD1-CB 4.01Å; I33-L39 HydrophobicContact CG1-CB 3.62Å; L39-V119 WeakPolarHBondContact CA-O 3.28Å; L39-V119 WeakPolarHBondContact CD1-O 3.38Å; L39-S128 WeakPolarHBondContact CD1-OG 3.36Å; L39-A129 HydrophobicContact CD2-CB 4Å; L39-V132 HydrophobicContact CB-CG2 4.43Å; L39-V132 HydrophobicContact CD1-CG2 4.18Å; L39-V151 HydrophobicContact CD2-CG1 3.71Å; L39-I158 HydrophobicContact CD2-CG2 3.79Å
40G98.3Very high97.6Very high0 Ų036.2 Ų36.20%020%0.195CC..EExtended strand (participates in β ladder)trans-163.4177.3-179.600000116.2V119 H120 G121 G124G40-V119 PolarHBondContact N-O 2.95Å; G40-V119 VanDerWaalsContact N-O 3.14Å; G40-H120 WeakPolarHBondContact O-CA 3.49Å; G40-H120 VanDerWaalsContact O-CB 3.3Å; G40-H120 WeakPolarHBondContact O-CB 3.48Å; G40-G121 PolarHBondContact O-N 3.47Å; G40-G124 WeakPolarHBondContact O-CA 3.37Å
41P98.3Very high97.6Very high5 Ų538.3 Ų38.33%0.03221%0.212CC..EExtended strand (participates in β ladder)trans-80165.3170.736-35.8000111.2R27 R28 E29 S43 A44 G121 N122R27-P41 WeakPolarHBondContact O-CG 3.26Å; R28-P41 WeakPolarHBondContact O-CG 3.46Å; E29-P41 WeakPolarHBondContact O-CD 3.1Å; P41-S43 WeakPolarHBondContact CG-OG 3.49Å; P41-S43 PolarHBondContact O-N 3.08Å; P41-A44 HydrophobicContact CG-CB 4.39Å; P41-A44 WeakPolarHBondContact O-CB 3.41Å; P41-A44 PolarHBondContact O-N 3.47Å; P41-G121 CarbonylContact C-O 3.07Å; P41-N122 WeakPolarHBondContact CA-O 3.24Å; P41-N122 WeakPolarHBondContact CB-O 3.41Å
42Y98.3Very high97.7Very high19 Ų1940.8 Ų40.88%0.07523%0.225CC..G310 helixtrans-61.6-27.2174.5176.4-116.9000112.3A44 A45 M46 F72 I73 K74 N76 H120 G121 N122Y42-A44 PolarHBondContact O-N 2.93Å; Y42-A44 VanDerWaalsContact O-N 3.11Å; Y42-A45 HydrophobicContact CD2-CB 4.27Å; Y42-A45 CarbonylContact O-C 3.49Å; Y42-A45 WeakPolarHBondContact O-CA 3.38Å; Y42-A45 PolarHBondContact O-N 2.73Å; Y42-M46 HydrophobicContact CD1-CE 3.87Å; Y42-M46 HydrophobicContact CD1-CG 4.43Å; Y42-M46 HydrophobicContact CE1-CE 3.91Å; Y42-M46 HydrophobicContact CE1-CG 4.17Å; Y42-M46 PolarHBondContact O-N 3.14Å; Y42-F72 WeakPolarHBondContact CE1-O 3.44Å; Y42-F72 PolarHBondContact OH-O 3.4Å; Y42-I73 HydrophobicContact CD1-CG1 4.17Å; Y42-I73 HydrophobicContact CD2-CB 4.45Å; Y42-I73 HydrophobicContact CD2-CG2 3.71Å; Y42-I73 HydrophobicContact CE2-CG2 4.1Å; Y42-I73 HydrophobicContact CG-CB 4.44Å; Y42-I73 HydrophobicContact CG-CG1 4.25Å; Y42-I73 HydrophobicContact CG-CG2 3.95Å; Y42-K74 PolarHBondContact OH-N 3.31Å; Y42-N76 PolarHBondContact OH-ND2 3Å; Y42-H120 AromaticContact CD2-CE1 3.61Å; Y42-H120 AromaticContact CD2-ND1 3.94Å; Y42-G121 WeakPolarHBondContact CB-O 3.24Å; Y42-G121 PolarHBondContact N-O 3.47Å; Y42-N122 PolarHBondContact N-O 2.92Å
43S97.3Very high97.7Very high38 Ų3837.1 Ų37.127%0.26621%0.208SC..G310 helixtrans-59.3-21.3173.958.70000113.8R28 P41 K49R28-S43 PolarHBondContact O-OG 3.41Å; P41-S43 WeakPolarHBondContact CG-OG 3.49Å; P41-S43 PolarHBondContact O-N 3.08Å; S43-K49 VanDerWaalsContact O-CG 3.24Å; S43-K49 WeakPolarHBondContact O-CG 3.3Å
44A97.6Very high97.7Very high8 Ų841.1 Ų41.17%0.06623%0.226CC..G310 helixtrans-82-15.5173.300000113.2M30 P41 Y42 K49M30-A44 HydrophobicContact CB-CB 4.04Å; M30-A44 HydrophobicContact CG-CB 4.46Å; P41-A44 HydrophobicContact CG-CB 4.39Å; P41-A44 WeakPolarHBondContact O-CB 3.41Å; P41-A44 PolarHBondContact O-N 3.47Å; Y42-A44 PolarHBondContact O-N 2.93Å; Y42-A44 VanDerWaalsContact O-N 3.11Å; A44-K49 WeakPolarHBondContact O-CB 3.37Å
45A97.6Very high97.8Very high2 Ų250 Ų502%0.01726%0.259CS..SBendtrans-107.99.9179.400000113.4Y42 L61 N76 L118Y42-A45 HydrophobicContact CD2-CB 4.27Å; Y42-A45 CarbonylContact O-C 3.49Å; Y42-A45 WeakPolarHBondContact O-CA 3.38Å; Y42-A45 PolarHBondContact O-N 2.73Å; A45-L61 HydrophobicContact CB-CD2 3.9Å; A45-N76 PolarHBondContact O-ND2 2.9Å; A45-L118 HydrophobicContact CB-CD2 4.23Å
46M97.1Very high97.9Very high78 Ų7848.7 Ų48.738%0.38424%0.244SC..SBendtrans-70.6159.6177-75.7-175.417600112.4Y42 S48 K49Y42-M46 HydrophobicContact CD1-CE 3.87Å; Y42-M46 HydrophobicContact CD1-CG 4.43Å; Y42-M46 HydrophobicContact CE1-CE 3.91Å; Y42-M46 HydrophobicContact CE1-CG 4.17Å; Y42-M46 PolarHBondContact O-N 3.14Å; M46-S48 PolarHBondContact O-N 3.48Å; M46-S48 VanDerWaalsContact O-N 3.16Å; M46-K49 WeakPolarHBondContact O-CB 3.45Å; M46-K49 PolarHBondContact O-N 3.46Å
47K96.6Very high97.9Very high149 Ų14954.2 Ų54.265%0.64827%0.269SS*.G310 helixtrans-51-40.1176.7-71.2-173.9178.1-176.40113.5K49 L50 N76 F77K47-K49 PolarHBondContact O-N 3.49Å; K47-K49 VanDerWaalsContact O-N 3.13Å; K47-L50 PolarHBondContact O-N 2.92Å; K47-N76 HydrophobicContact CG-CB 4.03Å; K47-F77 VanDerWaalsContact CA-CZ 3.5Å; K47-F77 HydrophobicContact CG-CE1 4.48Å
48S96.9Very high97.9Very high94 Ų9454.5 Ų54.566%0.65727%0.27SS*.G310 helixtrans-66.1-9.817856.30000114.5M46M46-S48 PolarHBondContact O-N 3.48Å; M46-S48 VanDerWaalsContact O-N 3.16Å
49K97.4Very high97.9Very high70 Ų7056.6 Ų56.630%0.30428%0.284SS..G310 helixtrans-104.87.1-178.6-59.1-66177177.50113.6S43 A44 M46 K47 S51 I52 L53S43-K49 VanDerWaalsContact O-CG 3.24Å; S43-K49 WeakPolarHBondContact O-CG 3.3Å; A44-K49 WeakPolarHBondContact O-CB 3.37Å; M46-K49 WeakPolarHBondContact O-CB 3.45Å; M46-K49 PolarHBondContact O-N 3.46Å; K47-K49 PolarHBondContact O-N 3.49Å; K47-K49 VanDerWaalsContact O-N 3.13Å; K49-S51 VanDerWaalsContact C-N 3.31Å; K49-S51 PolarHBondContact O-N 3.01Å; K49-I52 HydrophobicContact CD-CD1 3.76Å; K49-I52 WeakPolarHBondContact O-CB 3.35Å; K49-I52 PolarHBondContact O-N 3.19Å; K49-L53 PolarHBondContact O-N 3.29Å
50L97.9Very high97.9Very high52 Ų5257 Ų5727%0.27229%0.286SS..Hα-helixtrans-50.3-49.4179.717955.3000112.6K47 I52 L53 E54 F77 K80 F81K47-L50 PolarHBondContact O-N 2.92Å; L50-I52 PolarHBondContact O-N 3.33Å; L50-L53 WeakPolarHBondContact O-CB 3.31Å; L50-L53 PolarHBondContact O-N 2.53Å; L50-L53 VanDerWaalsContact O-N 3.15Å; L50-E54 HydrophobicContact CD1-CG 4.1Å; L50-E54 HydrophobicContact CG-CG 4.49Å; L50-E54 WeakPolarHBondContact O-CG 3.37Å; L50-E54 PolarHBondContact O-N 3.43Å; L50-F77 HydrophobicContact CB-CE1 3.74Å; L50-F77 HydrophobicContact CB-CZ 3.69Å; L50-F77 HydrophobicContact CD1-CD1 3.99Å; L50-F77 HydrophobicContact CD1-CE1 3.78Å; L50-F77 HydrophobicContact CD1-CG 4.46Å; L50-F77 HydrophobicContact CD1-CZ 4.06Å; L50-F77 HydrophobicContact CD2-CD1 4.46Å; L50-F77 HydrophobicContact CD2-CE1 3.99Å; L50-F77 HydrophobicContact CG-CE1 4.03Å; L50-F77 HydrophobicContact CG-CZ 4.35Å; L50-K80 HydrophobicContact CD1-CD 3.74Å; L50-F81 HydrophobicContact CD1-CE2 4.21Å; L50-F81 HydrophobicContact CD1-CZ 4.05Å
51S98Very high97.9Very high69 Ų6957 Ų5748%0.48329%0.286SS..Hα-helixtrans-63.6-27.3-179.256.80000113.6K49 R55K49-S51 VanDerWaalsContact C-N 3.31Å; K49-S51 PolarHBondContact O-N 3.01Å; S51-R55 VanDerWaalsContact O-CB 3.25Å; S51-R55 WeakPolarHBondContact O-CB 3.49Å; S51-R55 PolarHBondContact O-N 3.06Å; S51-R55 VanDerWaalsContact O-N 3.1Å
52I97.7Very high97.9Very high71 Ų7156.8 Ų56.836%0.36428%0.284SS..Hα-helixtrans-76.8-44175.4-57.3-173.5000109.8M30 K49 L50 E54 R55 Q56M30-I52 HydrophobicContact CE-CG2 4.31Å; K49-I52 HydrophobicContact CD-CD1 3.76Å; K49-I52 WeakPolarHBondContact O-CB 3.35Å; K49-I52 PolarHBondContact O-N 3.19Å; L50-I52 PolarHBondContact O-N 3.33Å; I52-E54 VanDerWaalsContact C-N 3.3Å; I52-E54 PolarHBondContact O-N 3.4Å; I52-R55 PolarHBondContact O-N 3.37Å; I52-Q56 HydrophobicContact CG2-CG 4.39Å; I52-Q56 WeakPolarHBondContact O-CB 3.38Å; I52-Q56 VanDerWaalsContact O-CG 3.29Å; I52-Q56 WeakPolarHBondContact O-CG 3.46Å; I52-Q56 PolarHBondContact O-N 2.72Å
53L98.4Very high97.9Very high0 Ų055.9 Ų55.90%028%0.281CS..Hα-helixtrans-59.4-42.4175.9-65.5171.3000111.3M30 K49 L50 Q56 E57 I58 F77 F81 L118M30-L53 HydrophobicContact CE-CD2 4.34Å; M30-L53 HydrophobicContact SD-CD2 4.14Å; K49-L53 PolarHBondContact O-N 3.29Å; L50-L53 WeakPolarHBondContact O-CB 3.31Å; L50-L53 PolarHBondContact O-N 2.53Å; L50-L53 VanDerWaalsContact O-N 3.15Å; L53-Q56 CarbonylContact O-C 3.55Å; L53-Q56 PolarHBondContact O-N 3.41Å; L53-E57 PolarHBondContact O-N 3.05Å; L53-E57 VanDerWaalsContact O-N 3.13Å; L53-I58 HydrophobicContact CB-CB 4.3Å; L53-I58 HydrophobicContact CD2-CB 4.23Å; L53-I58 HydrophobicContact CD2-CG1 3.97Å; L53-I58 HydrophobicContact CD2-CG2 4.32Å; L53-I58 PolarHBondContact O-N 3.15Å; L53-F77 HydrophobicContact CD1-CD2 4.2Å; L53-F77 HydrophobicContact CD1-CE2 3.68Å; L53-F77 HydrophobicContact CD1-CZ 4.49Å; L53-F81 HydrophobicContact CB-CE2 4.29Å; L53-F81 HydrophobicContact CB-CZ 3.81Å; L53-F81 HydrophobicContact CD1-CE2 3.76Å; L53-F81 HydrophobicContact CD1-CZ 4.15Å; L53-L118 HydrophobicContact CD2-CD2 3.91Å
54E97.9Very high98Very high85 Ų8554 Ų5440%0.39727%0.268SS..Hα-helixtrans-66.5-45.2176.6-70.6176.8138.100112.5L50 I52 Q56 E57 K80L50-E54 HydrophobicContact CD1-CG 4.1Å; L50-E54 HydrophobicContact CG-CG 4.49Å; L50-E54 WeakPolarHBondContact O-CG 3.37Å; L50-E54 PolarHBondContact O-N 3.43Å; I52-E54 VanDerWaalsContact C-N 3.3Å; I52-E54 PolarHBondContact O-N 3.4Å; E54-Q56 PolarHBondContact O-N 2.93Å; E54-E57 WeakPolarHBondContact O-CA 3.46Å; E54-E57 PolarHBondContact O-N 2.7Å; E54-K80 WeakPolarHBondContact OE1-CE 3.48Å; E54-K80 IonicContact OE1-NZ 2.73Å; E54-K80 PolarHBondContact OE1-NZ 3.27Å
55R97.9Very high98Very high197 Ų19755.1 Ų55.174%0.74327%0.27SS*.Hα-helixtrans-61.6-34.4177.3-174.7-172.7-52.3-132.5-2112.4S51 I52S51-R55 VanDerWaalsContact O-CB 3.25Å; S51-R55 WeakPolarHBondContact O-CB 3.49Å; S51-R55 PolarHBondContact O-N 3.06Å; S51-R55 VanDerWaalsContact O-N 3.1Å; I52-R55 PolarHBondContact O-N 3.37Å
56Q97.9Very high97.9Very high73 Ų7357.5 Ų57.534%0.34128%0.281SS..THydrogen-bonded Turntrans-85.13.4175.8-65.7-67.7-13.100112.4M30 I52 L53 E54 I58 K116M30-Q56 HydrophobicContact CE-CB 3.62Å; M30-Q56 HydrophobicContact CE-CG 3.52Å; I52-Q56 HydrophobicContact CG2-CG 4.39Å; I52-Q56 WeakPolarHBondContact O-CB 3.38Å; I52-Q56 VanDerWaalsContact O-CG 3.29Å; I52-Q56 WeakPolarHBondContact O-CG 3.46Å; I52-Q56 PolarHBondContact O-N 2.72Å; L53-Q56 CarbonylContact O-C 3.55Å; L53-Q56 PolarHBondContact O-N 3.41Å; E54-Q56 PolarHBondContact O-N 2.93Å; Q56-I58 HydrophobicContact CB-CG1 4.15Å; Q56-I58 PolarHBondContact O-N 3.32Å; Q56-K116 WeakPolarHBondContact O-CD 3.43Å
57E98.1Very high97.8Very high121 Ų12159.5 Ų59.557%0.56529%0.294SS*.THydrogen-bonded Turntrans54.635.3178.4-54.5170.2146.100112.8L53 E54 T59 K116L53-E57 PolarHBondContact O-N 3.05Å; L53-E57 VanDerWaalsContact O-N 3.13Å; E54-E57 WeakPolarHBondContact O-CA 3.46Å; E54-E57 PolarHBondContact O-N 2.7Å; E57-T59 PolarHBondContact O-N 3.28Å; E57-K116 HydrophobicContact CB-CD 4.11Å; E57-K116 WeakPolarHBondContact O-CB 3.03Å; E57-K116 IonicContact OE2-NZ 3.53Å; E57-K116 PolarHBondContact OE2-NZ 3.4Å
58I98.7Very high97.7Very high6 Ų658.7 Ų58.73%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-64.6133173.6-59.7-60.3000108.7M30 F38 L53 Q56 H60 L61 F81 K116 L118M30-I58 HydrophobicContact CE-CD1 4.38Å; M30-I58 HydrophobicContact CE-CG1 4.09Å; F38-I58 HydrophobicContact CD2-CD1 3.61Å; F38-I58 HydrophobicContact CE2-CD1 3.96Å; F38-I58 HydrophobicContact CG-CD1 4.13Å; L53-I58 HydrophobicContact CB-CB 4.3Å; L53-I58 HydrophobicContact CD2-CB 4.23Å; L53-I58 HydrophobicContact CD2-CG1 3.97Å; L53-I58 HydrophobicContact CD2-CG2 4.32Å; L53-I58 PolarHBondContact O-N 3.15Å; Q56-I58 HydrophobicContact CB-CG1 4.15Å; Q56-I58 PolarHBondContact O-N 3.32Å; I58-H60 WeakPolarHBondContact CG2-O 3.37Å; I58-L61 HydrophobicContact CG2-CD1 3.95Å; I58-L61 HydrophobicContact CG2-CG 4.28Å; I58-F81 VanDerWaalsContact O-CD1 3.28Å; I58-F81 WeakPolarHBondContact O-CD1 3.49Å; I58-F81 WeakPolarHBondContact O-CE1 3.37Å; I58-K116 HydrophobicContact CD1-CB 4.1Å; I58-L118 HydrophobicContact CD1-CB 4.32Å; I58-L118 HydrophobicContact CG2-CB 4.23Å
59T98.7Very high97.7Very high52 Ų5255.1 Ų55.132%0.31927%0.268SS..EExtended strand (participates in β ladder)trans-122-28.7-179.756.70000111.7E57 F81 R82 G115 K116E57-T59 PolarHBondContact O-N 3.28Å; T59-F81 WeakPolarHBondContact O-CA 3.22Å; T59-R82 PolarHBondContact O-N 2.93Å; T59-G115 WeakPolarHBondContact OG1-CA 3.35Å; T59-K116 PolarHBondContact N-O 3.46Å; T59-K116 PolarHBondContact OG1-N 2.82Å; T59-K116 PolarHBondContact OG1-O 2.88Å
60H98.8Very high97.5Very high8 Ų853 Ų534%0.03726%0.263CS..EExtended strand (participates in β ladder)trans-126.8146.5-177.1-65.571.6000110.8I58 R82 F106 C110 K116 V117 L118I58-H60 WeakPolarHBondContact CG2-O 3.37Å; H60-R82 CarbonylContact C-O 3.38Å; H60-R82 VanDerWaalsContact CA-O 3.27Å; H60-R82 WeakPolarHBondContact CA-O 3.44Å; H60-R82 WeakPolarHBondContact NE2-CD 3.36Å; H60-R82 PolarHBondContact NE2-NH1 3.45Å; H60-F106 HydrophobicContact CB-CE1 3.77Å; H60-F106 HydrophobicContact CB-CZ 3.91Å; H60-F106 AromaticContact CD2-CZ 3.63Å; H60-C110 HydrophobicContact CB-CB 4.13Å; H60-C110 VanDerWaalsContact CG-SG 3.58Å; H60-C110 PolarHBondContact ND1-SG 2.94Å; H60-K116 PolarHBondContact N-O 2.98Å; H60-K116 VanDerWaalsContact N-O 3.12Å; H60-V117 HydrophobicContact CB-CB 4Å; H60-V117 HydrophobicContact CB-CG2 3.94Å; H60-V117 VanDerWaalsContact O-CA 3.29Å; H60-V117 WeakPolarHBondContact O-CA 3.13Å; H60-L118 PolarHBondContact O-N 2.85Å
61L98.8Very high97.3Very high0 Ų057 Ų570%029%0.285CS..EExtended strand (participates in β ladder)trans-131.7131.7173.3-71.692.8000110.8A45 I58 F81 R82 Y83 L84 L118A45-L61 HydrophobicContact CB-CD2 3.9Å; I58-L61 HydrophobicContact CG2-CD1 3.95Å; I58-L61 HydrophobicContact CG2-CG 4.28Å; L61-F81 HydrophobicContact CD1-CB 3.28Å; L61-F81 HydrophobicContact CD1-CD1 4.22Å; L61-F81 HydrophobicContact CD1-CD2 3.45Å; L61-F81 VanDerWaalsContact CD1-CD2 3.45Å; L61-F81 HydrophobicContact CD1-CE2 4.34Å; L61-F81 HydrophobicContact CD1-CG 3.39Å; L61-R82 PolarHBondContact N-O 3.12Å; L61-Y83 HydrophobicContact CB-CD1 3.7Å; L61-Y83 HydrophobicContact CB-CE1 3.54Å; L61-Y83 HydrophobicContact CB-CG 4.47Å; L61-Y83 HydrophobicContact CD1-CE1 4.16Å; L61-Y83 HydrophobicContact CD1-CE2 4.46Å; L61-Y83 HydrophobicContact CD2-CE1 3.93Å; L61-Y83 HydrophobicContact CG-CE1 4.08Å; L61-Y83 CarbonylContact O-C 3.59Å; L61-Y83 VanDerWaalsContact O-CA 3.31Å; L61-Y83 WeakPolarHBondContact O-CA 3.07Å; L61-L84 PolarHBondContact O-N 3.05Å; L61-L118 CarbonylContact C-O 3.55Å; L61-L118 VanDerWaalsContact CA-O 3.28Å; L61-L118 WeakPolarHBondContact CA-O 3.42Å; L61-L118 HydrophobicContact CD2-CD2 4.15Å; L61-L118 HydrophobicContact CG-CB 4.33Å
62V98.8Very high97.1Very high0 Ų059 Ų590%029%0.285CS..EExtended strand (participates in β ladder)trans-98.1110.3164.4-175.50000107.6V64 L84 L86 T103 F106 V117 L118 V119 H120 L131V62-V64 HydrophobicContact CG1-CG2 3.98Å; V62-L84 CarbonylContact C-O 3.51Å; V62-L84 WeakPolarHBondContact CA-O 3.41Å; V62-L84 HydrophobicContact CG1-CB 4.49Å; V62-L84 HydrophobicContact CG1-CD2 4.24Å; V62-L84 HydrophobicContact CG1-CG 4.41Å; V62-L84 HydrophobicContact CG2-CB 4.3Å; V62-L84 HydrophobicContact CG2-CD2 4.33Å; V62-L86 HydrophobicContact CG1-CD1 3.9Å; V62-L86 HydrophobicContact CG1-CG 4.41Å; V62-T103 HydrophobicContact CG1-CG2 4.45Å; V62-F106 HydrophobicContact CG2-CD1 3.57Å; V62-F106 HydrophobicContact CG2-CE1 3.72Å; V62-V117 HydrophobicContact CG2-CG2 4.2Å; V62-L118 PolarHBondContact N-O 3.45Å; V62-V119 HydrophobicContact CB-CB 4.25Å; V62-V119 HydrophobicContact CB-CG1 4.02Å; V62-V119 HydrophobicContact CB-CG2 4.04Å; V62-V119 HydrophobicContact CG1-CG1 4.24Å; V62-V119 HydrophobicContact CG2-CG2 3.94Å; V62-H120 PolarHBondContact O-CD2 3.13Å; V62-H120 PolarHBondContact O-N 2.59Å; V62-L131 HydrophobicContact CG1-CD1 4.39Å
63C98.6Very high97Very high0 Ų055.7 Ų55.70%027%0.268CS..EExtended strand (participates in β ladder)trans-98102.4-179.6173.20000109.6Y83 L84 V85 L86 H120C63-Y83 HydrophobicContact CB-CD1 4.44Å; C63-L84 PolarHBondContact N-O 3.34Å; C63-V85 HydrophobicContact CB-CG2 4.28Å; C63-V85 WeakPolarHBondContact O-CA 3.47Å; C63-L86 PolarHBondContact O-N 3.15Å; C63-H120 VanDerWaalsContact SG-CE1 3.58Å
64V98.5Very high96.8Very high0 Ų060.4 Ų60.40%029%0.289CS..EExtended strand (participates in β ladder)trans-99.4122.4179.3-167.40000110V62 L86 I88 H120 G121 R127 L131V62-V64 HydrophobicContact CG1-CG2 3.98Å; V64-L86 WeakPolarHBondContact CA-O 3.3Å; V64-I88 HydrophobicContact CG1-CB 4.01Å; V64-I88 HydrophobicContact CG1-CD1 3.86Å; V64-I88 HydrophobicContact CG1-CG1 4.26Å; V64-H120 WeakPolarHBondContact CB-O 3.13Å; V64-H120 PolarHBondContact N-O 2.92Å; V64-G121 WeakPolarHBondContact O-CA 3.5Å; V64-R127 HydrophobicContact CG1-CB 3.64Å; V64-R127 HydrophobicContact CG1-CG 4.46Å; V64-L131 HydrophobicContact CG2-CD1 3.49Å; V64-L131 VanDerWaalsContact CG2-CD1 3.49Å
65R97.5Very high96.8Very high31 Ų3158.2 Ų58.212%0.11728%0.282CS..EExtended strand (participates in β ladder)trans-151.9174.1-176.368.3-177.3-176-162.9-0.5110.2E69 I73 L86 D87 I88R65-E69 WeakPolarHBondContact CA-OE2 3.37Å; R65-E69 HydrophobicContact CB-CB 4.16Å; R65-I73 HydrophobicContact CB-CB 3.99Å; R65-I73 HydrophobicContact CB-CD1 4.27Å; R65-I73 HydrophobicContact CB-CG2 3.88Å; R65-I73 WeakPolarHBondContact CD-O 3.32Å; R65-I73 PolarHBondContact NH1-O 3.41Å; R65-L86 PolarHBondContact N-O 2.92Å; R65-D87 VanDerWaalsContact CG-OD1 3.25Å; R65-D87 WeakPolarHBondContact CG-OD1 3.27Å; R65-D87 IonicContact CZ-OD1 3.14Å; R65-D87 IonicContact NE-OD1 3.86Å; R65-D87 PolarHBondContact NE-OD1 2.96Å; R65-D87 IonicContact NH2-OD1 2.99Å; R65-D87 CarbonylContact O-C 3.59Å; R65-D87 WeakPolarHBondContact O-CA 3.37Å; R65-I88 CarbonylContact C-O 3.6Å; R65-I88 CarbonylContact O-C 3.5Å; R65-I88 PolarHBondContact O-N 3.08Å
66Q96.3Very high96.7Very high52 Ų5250 Ų5024%0.24325%0.252CS..  trans-91.9158.2161-78.617154.700109.2I68 E69 A70 I88 A89 D90Q66-I68 VanDerWaalsContact C-N 3.26Å; Q66-I68 HydrophobicContact CB-CG1 3.82Å; Q66-I68 PolarHBondContact O-N 3.09Å; Q66-E69 HydrophobicContact CB-CB 4.42Å; Q66-E69 HydrophobicContact CB-CG 3.94Å; Q66-E69 PolarHBondContact N-OE2 2.79Å; Q66-E69 WeakPolarHBondContact O-CA 3.47Å; Q66-E69 VanDerWaalsContact O-CB 3.3Å; Q66-E69 WeakPolarHBondContact O-CB 3.47Å; Q66-E69 PolarHBondContact O-N 3.29Å; Q66-A70 PolarHBondContact O-N 3.39Å; Q66-I88 WeakPolarHBondContact CG-O 3.31Å; Q66-A89 HydrophobicContact CG-CB 3.88Å; Q66-D90 VanDerWaalsContact NE2-N 3.19Å
67D94.3Very high96.7Very high120 Ų12047.7 Ų47.764%0.64224%0.241SC*.G310 helixtrans-57.4-41.4175.9-173.354.1000111.6E69 A70D67-E69 PolarHBondContact O-N 3.12Å; D67-E69 VanDerWaalsContact O-N 3.09Å; D67-A70 WeakPolarHBondContact O-CB 3.45Å; D67-A70 PolarHBondContact O-N 3.01Å
68I94.6Very high96.5Very high132 Ų13245.5 Ų45.568%0.67724%0.238SC*.G310 helixtrans-61.2-21173.262.2164.5000113.7Q66Q66-I68 VanDerWaalsContact C-N 3.26Å; Q66-I68 HydrophobicContact CB-CG1 3.82Å; Q66-I68 PolarHBondContact O-N 3.09Å
69E96.4Very high96.4Very high18 Ų1854.3 Ų54.38%0.08428%0.279CS..G310 helixtrans-87.9-7.4177.6-59.9175.6137.600112.6R65 Q66 D67 N71 F72 I73 N122 R127R65-E69 WeakPolarHBondContact CA-OE2 3.37Å; R65-E69 HydrophobicContact CB-CB 4.16Å; Q66-E69 HydrophobicContact CB-CB 4.42Å; Q66-E69 HydrophobicContact CB-CG 3.94Å; Q66-E69 PolarHBondContact N-OE2 2.79Å; Q66-E69 WeakPolarHBondContact O-CA 3.47Å; Q66-E69 VanDerWaalsContact O-CB 3.3Å; Q66-E69 WeakPolarHBondContact O-CB 3.47Å; Q66-E69 PolarHBondContact O-N 3.29Å; D67-E69 PolarHBondContact O-N 3.12Å; D67-E69 VanDerWaalsContact O-N 3.09Å; E69-N71 PolarHBondContact O-N 3.31Å; E69-N71 VanDerWaalsContact O-N 3.1Å; E69-F72 VanDerWaalsContact CA-CE1 3.49Å; E69-F72 VanDerWaalsContact CA-CZ 3.47Å; E69-F72 HydrophobicContact CB-CD2 4.49Å; E69-F72 HydrophobicContact CB-CE1 4.13Å; E69-F72 HydrophobicContact CB-CE2 3.73Å; E69-F72 HydrophobicContact CB-CZ 3.56Å; E69-F72 HydrophobicContact CG-CE1 4.4Å; E69-F72 HydrophobicContact CG-CE2 3.86Å; E69-F72 HydrophobicContact CG-CZ 3.52Å; E69-F72 PolarHBondContact O-N 2.89Å; E69-I73 HydrophobicContact CB-CB 4.49Å; E69-I73 HydrophobicContact CB-CD1 3.92Å; E69-I73 HydrophobicContact CB-CG1 4.17Å; E69-I73 HydrophobicContact CG-CD1 4.32Å; E69-I73 PolarHBondContact O-N 2.98Å; E69-N122 PolarHBondContact OE1-ND2 2.71Å; E69-R127 IonicContact OE1-NH2 3.18Å; E69-R127 PolarHBondContact OE1-NH2 3.35Å; E69-R127 IonicContact OE2-CZ 3.37Å; E69-R127 IonicContact OE2-NH1 2.75Å; E69-R127 PolarHBondContact OE2-NH1 2.78Å; E69-R127 IonicContact OE2-NH2 3.05Å; E69-R127 PolarHBondContact OE2-NH2 2.95Å
70A94.5Very high96.3Very high25 Ų2556.9 Ų56.921%0.20729%0.285CS..THydrogen-bonded Turntrans-60.7-25.8-171.200000114.8Q66 D67 F72Q66-A70 PolarHBondContact O-N 3.39Å; D67-A70 WeakPolarHBondContact O-CB 3.45Å; D67-A70 PolarHBondContact O-N 3.01Å; A70-F72 VanDerWaalsContact C-N 3.33Å; A70-F72 PolarHBondContact O-N 2.68Å
71N93Very high96.3Very high138 Ų13857.1 Ų57.174%0.73829%0.286SS*.THydrogen-bonded Turntrans-69.1-30.9178.2-76.2-44.4000113E69 K74E69-N71 PolarHBondContact O-N 3.31Å; E69-N71 VanDerWaalsContact O-N 3.1Å; N71-K74 PolarHBondContact O-NZ 3.28Å; N71-K74 VanDerWaalsContact O-NZ 3.16Å
72F93.9Very high96.3Very high111 Ų11164.7 Ų64.749%0.48732%0.315SS..THydrogen-bonded Turntrans-114.8-31.3-175.154.1-90.3000113.9Y42 E69 A70Y42-F72 WeakPolarHBondContact CE1-O 3.44Å; Y42-F72 PolarHBondContact OH-O 3.4Å; E69-F72 VanDerWaalsContact CA-CE1 3.49Å; E69-F72 VanDerWaalsContact CA-CZ 3.47Å; E69-F72 HydrophobicContact CB-CD2 4.49Å; E69-F72 HydrophobicContact CB-CE1 4.13Å; E69-F72 HydrophobicContact CB-CE2 3.73Å; E69-F72 HydrophobicContact CB-CZ 3.56Å; E69-F72 HydrophobicContact CG-CE1 4.4Å; E69-F72 HydrophobicContact CG-CE2 3.86Å; E69-F72 HydrophobicContact CG-CZ 3.52Å; E69-F72 PolarHBondContact O-N 2.89Å; A70-F72 VanDerWaalsContact C-N 3.33Å; A70-F72 PolarHBondContact O-N 2.68Å
73I95.8Very high96.2Very high0 Ų066.9 Ų66.90%032%0.323CS..SBendtrans-99.6102171.1-51.5-177.5000107.9Y42 R65 E69 N122Y42-I73 HydrophobicContact CD1-CG1 4.17Å; Y42-I73 HydrophobicContact CD2-CB 4.45Å; Y42-I73 HydrophobicContact CD2-CG2 3.71Å; Y42-I73 HydrophobicContact CE2-CG2 4.1Å; Y42-I73 HydrophobicContact CG-CB 4.44Å; Y42-I73 HydrophobicContact CG-CG1 4.25Å; Y42-I73 HydrophobicContact CG-CG2 3.95Å; R65-I73 HydrophobicContact CB-CB 3.99Å; R65-I73 HydrophobicContact CB-CD1 4.27Å; R65-I73 HydrophobicContact CB-CG2 3.88Å; R65-I73 WeakPolarHBondContact CD-O 3.32Å; R65-I73 PolarHBondContact NH1-O 3.41Å; E69-I73 HydrophobicContact CB-CB 4.49Å; E69-I73 HydrophobicContact CB-CD1 3.92Å; E69-I73 HydrophobicContact CB-CG1 4.17Å; E69-I73 HydrophobicContact CG-CD1 4.32Å; E69-I73 PolarHBondContact O-N 2.98Å; I73-N122 HydrophobicContact CD1-CB 3.51Å
74K94.1Very high96.3Very high99 Ų9968 Ų6843%0.4333%0.329SS..  trans-147.9161.7-176.462.5-169.6173.8-159.70113Y42 N71 N76Y42-K74 PolarHBondContact OH-N 3.31Å; N71-K74 PolarHBondContact O-NZ 3.28Å; N71-K74 VanDerWaalsContact O-NZ 3.16Å; K74-N76 PolarHBondContact O-N 3.35Å
75P97.2Very high96.3Very high39 Ų3970.5 Ų70.525%0.25334%0.344SS..  trans-57.1103.2169.7-26.337000111.3F77 Y83 V85P75-F77 VanDerWaalsContact C-N 3.32Å; P75-Y83 HydrophobicContact CB-CD1 3.66Å; P75-Y83 HydrophobicContact CB-CD2 3.88Å; P75-Y83 HydrophobicContact CB-CE1 3.65Å; P75-Y83 HydrophobicContact CB-CE2 3.87Å; P75-Y83 HydrophobicContact CB-CG 3.77Å; P75-Y83 HydrophobicContact CG-CD1 3.79Å; P75-Y83 HydrophobicContact CG-CE1 4.18Å; P75-Y83 HydrophobicContact CG-CG 4Å; P75-V85 HydrophobicContact CG-CG2 3.69Å
76N97.1Very high96.3Very high24 Ų2469.2 Ų69.213%0.12834%0.34CS..SBendtrans-77.8-18.6-178.7-77.1-51.4000113.3Y42 A45 K47 K74Y42-N76 PolarHBondContact OH-ND2 3Å; A45-N76 PolarHBondContact O-ND2 2.9Å; K47-N76 HydrophobicContact CG-CB 4.03Å; K74-N76 PolarHBondContact O-N 3.35Å
77F96.8Very high96.4Very high25 Ų2569.9 Ų69.911%0.1135%0.345CS..  trans-135.756-174.7-44.5-81.5000112.3K47 L50 L53 P75 H79 K80 F81 Y83K47-F77 VanDerWaalsContact CA-CZ 3.5Å; K47-F77 HydrophobicContact CG-CE1 4.48Å; L50-F77 HydrophobicContact CB-CE1 3.74Å; L50-F77 HydrophobicContact CB-CZ 3.69Å; L50-F77 HydrophobicContact CD1-CD1 3.99Å; L50-F77 HydrophobicContact CD1-CE1 3.78Å; L50-F77 HydrophobicContact CD1-CG 4.46Å; L50-F77 HydrophobicContact CD1-CZ 4.06Å; L50-F77 HydrophobicContact CD2-CD1 4.46Å; L50-F77 HydrophobicContact CD2-CE1 3.99Å; L50-F77 HydrophobicContact CG-CE1 4.03Å; L50-F77 HydrophobicContact CG-CZ 4.35Å; L53-F77 HydrophobicContact CD1-CD2 4.2Å; L53-F77 HydrophobicContact CD1-CE2 3.68Å; L53-F77 HydrophobicContact CD1-CZ 4.49Å; P75-F77 VanDerWaalsContact C-N 3.32Å; F77-H79 PolarHBondContact O-N 3.46Å; F77-K80 HydrophobicContact CB-CB 4.05Å; F77-K80 PolarHBondContact O-N 3.26Å; F77-F81 HydrophobicContact CB-CD2 3.62Å; F77-F81 HydrophobicContact CB-CE2 3.8Å; F77-F81 AromaticContact CD2-CD2 3.82Å; F77-F81 HydrophobicContact CD2-CD2 3.82Å; F77-F81 AromaticContact CD2-CE2 3.52Å; F77-F81 HydrophobicContact CD2-CE2 3.52Å; F77-F81 HydrophobicContact CE2-CE2 4.19Å; F77-F81 HydrophobicContact CG-CD2 4.05Å; F77-F81 AromaticContact CG-CE2 3.79Å; F77-F81 HydrophobicContact CG-CE2 3.79Å; F77-F81 PolarHBondContact O-N 3.21Å; F77-F81 VanDerWaalsContact O-N 3.16Å; F77-Y83 PolarHBondContact N-OH 2.97Å
78P94.8Very high96.6Very high76 Ų7664.1 Ų64.149%0.49431%0.314SS..THydrogen-bonded Turntrans-61.3-20.7-171.426.7-36.2000114.3
79H95.8Very high96.7Very high191 Ų19158.8 Ų58.888%0.88429%0.29SS*.THydrogen-bonded Turntrans-93.1-3.9178-56.2-61000114F77F77-H79 PolarHBondContact O-N 3.46Å
80K96.8Very high96.8Very high106 Ų10661 Ų6146%0.46130%0.302SS..THydrogen-bonded Turntrans-116.6-34.7-173.5-157.5176.3-157.7-67.90113.4L50 E54 F77L50-K80 HydrophobicContact CD1-CD 3.74Å; E54-K80 WeakPolarHBondContact OE1-CE 3.48Å; E54-K80 IonicContact OE1-NZ 2.73Å; E54-K80 PolarHBondContact OE1-NZ 3.27Å; F77-K80 HydrophobicContact CB-CB 4.05Å; F77-K80 PolarHBondContact O-N 3.26Å
81F98.3Very high96.9Very high12 Ų1262.1 Ų62.15%0.05330%0.304CS..SBendtrans-122153.9178.6-51.2-59000110.3L50 L53 I58 T59 L61 F77 Y83L50-F81 HydrophobicContact CD1-CE2 4.21Å; L50-F81 HydrophobicContact CD1-CZ 4.05Å; L53-F81 HydrophobicContact CB-CE2 4.29Å; L53-F81 HydrophobicContact CB-CZ 3.81Å; L53-F81 HydrophobicContact CD1-CE2 3.76Å; L53-F81 HydrophobicContact CD1-CZ 4.15Å; I58-F81 VanDerWaalsContact O-CD1 3.28Å; I58-F81 WeakPolarHBondContact O-CD1 3.49Å; I58-F81 WeakPolarHBondContact O-CE1 3.37Å; T59-F81 WeakPolarHBondContact O-CA 3.22Å; L61-F81 HydrophobicContact CD1-CB 3.28Å; L61-F81 HydrophobicContact CD1-CD1 4.22Å; L61-F81 HydrophobicContact CD1-CD2 3.45Å; L61-F81 VanDerWaalsContact CD1-CD2 3.45Å; L61-F81 HydrophobicContact CD1-CE2 4.34Å; L61-F81 HydrophobicContact CD1-CG 3.39Å; F77-F81 HydrophobicContact CB-CD2 3.62Å; F77-F81 HydrophobicContact CB-CE2 3.8Å; F77-F81 AromaticContact CD2-CD2 3.82Å; F77-F81 HydrophobicContact CD2-CD2 3.82Å; F77-F81 AromaticContact CD2-CE2 3.52Å; F77-F81 HydrophobicContact CD2-CE2 3.52Å; F77-F81 HydrophobicContact CE2-CE2 4.19Å; F77-F81 HydrophobicContact CG-CD2 4.05Å; F77-F81 AromaticContact CG-CE2 3.79Å; F77-F81 HydrophobicContact CG-CE2 3.79Å; F77-F81 PolarHBondContact O-N 3.21Å; F77-F81 VanDerWaalsContact O-N 3.16Å; F81-Y83 HydrophobicContact CB-CD2 4.42Å; F81-Y83 HydrophobicContact CB-CE2 3.86Å; F81-Y83 VanDerWaalsContact O-CD2 3.3Å; F81-Y83 WeakPolarHBondContact O-CD2 3.41Å
82R98.5Very high97.1Very high159 Ų15958.9 Ų58.960%0.629%0.291SS*.EExtended strand (participates in β ladder)trans-84.3134.3170.7-66.5-178.566-155.29.9109.3T59 H60 L61T59-R82 PolarHBondContact O-N 2.93Å; H60-R82 CarbonylContact C-O 3.38Å; H60-R82 VanDerWaalsContact CA-O 3.27Å; H60-R82 WeakPolarHBondContact CA-O 3.44Å; H60-R82 WeakPolarHBondContact NE2-CD 3.36Å; H60-R82 PolarHBondContact NE2-NH1 3.45Å; L61-R82 PolarHBondContact N-O 3.12Å
83Y98.7Very high97.2Very high46 Ų4660 Ų6018%0.1831%0.307CS..EExtended strand (participates in β ladder)trans-115.8138.9-176.8-76.6-94.4000111.9L61 C63 P75 F77 F81L61-Y83 HydrophobicContact CB-CD1 3.7Å; L61-Y83 HydrophobicContact CB-CE1 3.54Å; L61-Y83 HydrophobicContact CB-CG 4.47Å; L61-Y83 HydrophobicContact CD1-CE1 4.16Å; L61-Y83 HydrophobicContact CD1-CE2 4.46Å; L61-Y83 HydrophobicContact CD2-CE1 3.93Å; L61-Y83 HydrophobicContact CG-CE1 4.08Å; L61-Y83 CarbonylContact O-C 3.59Å; L61-Y83 VanDerWaalsContact O-CA 3.31Å; L61-Y83 WeakPolarHBondContact O-CA 3.07Å; C63-Y83 HydrophobicContact CB-CD1 4.44Å; P75-Y83 HydrophobicContact CB-CD1 3.66Å; P75-Y83 HydrophobicContact CB-CD2 3.88Å; P75-Y83 HydrophobicContact CB-CE1 3.65Å; P75-Y83 HydrophobicContact CB-CE2 3.87Å; P75-Y83 HydrophobicContact CB-CG 3.77Å; P75-Y83 HydrophobicContact CG-CD1 3.79Å; P75-Y83 HydrophobicContact CG-CE1 4.18Å; P75-Y83 HydrophobicContact CG-CG 4Å; F77-Y83 PolarHBondContact N-OH 2.97Å; F81-Y83 HydrophobicContact CB-CD2 4.42Å; F81-Y83 HydrophobicContact CB-CE2 3.86Å; F81-Y83 VanDerWaalsContact O-CD2 3.3Å; F81-Y83 WeakPolarHBondContact O-CD2 3.41Å
84L98.7Very high97.3Very high25 Ų2562 Ų6213%0.13132%0.316CS..EExtended strand (participates in β ladder)trans-110.2118.7155.5175.862000107.2L61 V62 C63 L86 M102 F106L61-L84 PolarHBondContact O-N 3.05Å; V62-L84 CarbonylContact C-O 3.51Å; V62-L84 WeakPolarHBondContact CA-O 3.41Å; V62-L84 HydrophobicContact CG1-CB 4.49Å; V62-L84 HydrophobicContact CG1-CD2 4.24Å; V62-L84 HydrophobicContact CG1-CG 4.41Å; V62-L84 HydrophobicContact CG2-CB 4.3Å; V62-L84 HydrophobicContact CG2-CD2 4.33Å; C63-L84 PolarHBondContact N-O 3.34Å; L84-L86 HydrophobicContact CD1-CD2 3.9Å; L84-L86 HydrophobicContact CD2-CD1 4.22Å; L84-L86 HydrophobicContact CD2-CD2 4.22Å; L84-L86 HydrophobicContact CD2-CG 4.33Å; L84-L86 HydrophobicContact CG-CD1 4.44Å; L84-L86 HydrophobicContact CG-CD2 3.91Å; L84-L86 HydrophobicContact CG-CG 4.03Å; L84-M102 HydrophobicContact CD1-CG 4.34Å; L84-M102 HydrophobicContact CD1-SD 3.94Å; L84-M102 HydrophobicContact CD2-CG 4.35Å; L84-F106 HydrophobicContact CB-CD1 3.98Å; L84-F106 HydrophobicContact CB-CD2 3.86Å; L84-F106 HydrophobicContact CB-CE1 3.94Å; L84-F106 HydrophobicContact CB-CE2 3.83Å; L84-F106 HydrophobicContact CB-CG 3.93Å; L84-F106 HydrophobicContact CB-CZ 3.85Å; L84-F106 HydrophobicContact CD2-CB 3.83Å; L84-F106 HydrophobicContact CD2-CD1 4.28Å; L84-F106 HydrophobicContact CD2-CD2 4.44Å; L84-F106 HydrophobicContact CD2-CG 3.95Å
85V98.4Very high97.5Very high51 Ų5160.2 Ų60.231%0.30931%0.311SS..EExtended strand (participates in β ladder)trans-106.5125.7178.6-175.80000108.4C63 P75C63-V85 HydrophobicContact CB-CG2 4.28Å; C63-V85 WeakPolarHBondContact O-CA 3.47Å; P75-V85 HydrophobicContact CG-CG2 3.69Å
86L98.4Very high97.6Very high5 Ų558.4 Ų58.43%0.02630%0.299CS..EExtended strand (participates in β ladder)trans-123.9118.1-177.7-57.3177.3000109.4V62 C63 V64 R65 L84 I88 Y99 M102 T103 L131V62-L86 HydrophobicContact CG1-CD1 3.9Å; V62-L86 HydrophobicContact CG1-CG 4.41Å; C63-L86 PolarHBondContact O-N 3.15Å; V64-L86 WeakPolarHBondContact CA-O 3.3Å; R65-L86 PolarHBondContact N-O 2.92Å; L84-L86 HydrophobicContact CD1-CD2 3.9Å; L84-L86 HydrophobicContact CD2-CD1 4.22Å; L84-L86 HydrophobicContact CD2-CD2 4.22Å; L84-L86 HydrophobicContact CD2-CG 4.33Å; L84-L86 HydrophobicContact CG-CD1 4.44Å; L84-L86 HydrophobicContact CG-CD2 3.91Å; L84-L86 HydrophobicContact CG-CG 4.03Å; L86-I88 HydrophobicContact CB-CD1 3.76Å; L86-I88 HydrophobicContact CB-CG1 4.04Å; L86-I88 HydrophobicContact CD1-CD1 4.14Å; L86-I88 PolarHBondContact O-N 3.29Å; L86-Y99 HydrophobicContact CD2-CD1 3.92Å; L86-Y99 HydrophobicContact CD2-CE1 4.43Å; L86-M102 HydrophobicContact CD2-SD 4.15Å; L86-T103 WeakPolarHBondContact CD1-OG1 3.15Å; L86-L131 HydrophobicContact CD1-CD1 3.63Å
87D98Very high97.6Very high65 Ų6558.5 Ų58.535%0.34830%0.3SS..EExtended strand (participates in β ladder)trans-90.794176.2-61.2-53.1000109.3R65R65-D87 VanDerWaalsContact CG-OD1 3.25Å; R65-D87 WeakPolarHBondContact CG-OD1 3.27Å; R65-D87 IonicContact CZ-OD1 3.14Å; R65-D87 IonicContact NE-OD1 3.86Å; R65-D87 PolarHBondContact NE-OD1 2.96Å; R65-D87 IonicContact NH2-OD1 2.99Å; R65-D87 CarbonylContact O-C 3.59Å; R65-D87 WeakPolarHBondContact O-CA 3.37Å
88I98.2Very high97.7Very high0 Ų064.6 Ų64.60%032%0.322CS..  trans-124.6123.6-174.6-57.9172.3000108.5V64 R65 Q66 L86 E94 I96 Y99 R127 L131 F164V64-I88 HydrophobicContact CG1-CB 4.01Å; V64-I88 HydrophobicContact CG1-CD1 3.86Å; V64-I88 HydrophobicContact CG1-CG1 4.26Å; R65-I88 CarbonylContact C-O 3.6Å; R65-I88 CarbonylContact O-C 3.5Å; R65-I88 PolarHBondContact O-N 3.08Å; Q66-I88 WeakPolarHBondContact CG-O 3.31Å; L86-I88 HydrophobicContact CB-CD1 3.76Å; L86-I88 HydrophobicContact CB-CG1 4.04Å; L86-I88 HydrophobicContact CD1-CD1 4.14Å; L86-I88 PolarHBondContact O-N 3.29Å; I88-E94 HydrophobicContact CG2-CG 3.7Å; I88-I96 HydrophobicContact CD1-CD1 4.47Å; I88-I96 HydrophobicContact CD1-CG1 4.17Å; I88-I96 HydrophobicContact CG2-CB 4.47Å; I88-I96 HydrophobicContact CG2-CD1 4.08Å; I88-I96 HydrophobicContact CG2-CG1 4.09Å; I88-Y99 HydrophobicContact CD1-CD1 4.49Å; I88-Y99 HydrophobicContact CD1-CD2 3.67Å; I88-Y99 HydrophobicContact CD1-CE2 4.1Å; I88-Y99 HydrophobicContact CD1-CG 3.88Å; I88-Y99 HydrophobicContact CG1-CD2 3.8Å; I88-Y99 HydrophobicContact CG1-CE2 3.67Å; I88-Y99 HydrophobicContact CG1-CG 4.31Å; I88-R127 HydrophobicContact CG2-CG 4.08Å; I88-R127 WeakPolarHBondContact O-CD 3.4Å; I88-R127 PolarHBondContact O-NH1 2.81Å; I88-L131 HydrophobicContact CD1-CD1 4.33Å; I88-L131 HydrophobicContact CD1-CD2 4.44Å; I88-F164 HydrophobicContact CG2-CZ 4.13Å
89A97.6Very high97.8Very high19 Ų1963.4 Ų63.416%0.15731%0.308CS..  trans-77.5137.917400000113.2Q66 N91 E94 F164Q66-A89 HydrophobicContact CG-CB 3.88Å; A89-N91 WeakPolarHBondContact CB-ND2 3.33Å; A89-N91 PolarHBondContact O-N 3.28Å; A89-E94 HydrophobicContact CB-CB 4.45Å; A89-E94 HydrophobicContact CB-CG 4.4Å; A89-E94 VanDerWaalsContact O-CB 3.29Å; A89-E94 WeakPolarHBondContact O-CB 3.29Å; A89-E94 WeakPolarHBondContact O-CG 3.4Å; A89-F164 WeakPolarHBondContact O-CZ 3.27Å
90D97.4Very high98Very high64 Ų6454.5 Ų54.534%0.34227%0.267SS..SBendtrans-86.360.2-179.9-150.9-11.8000110.5Q66 S126 R127 N161Q66-D90 VanDerWaalsContact NE2-N 3.19Å; D90-S126 VanDerWaalsContact OD1-CB 3.24Å; D90-S126 WeakPolarHBondContact OD1-CB 3.13Å; D90-S126 PolarHBondContact OD1-OG 2.94Å; D90-S126 VanDerWaalsContact OD2-CB 3.31Å; D90-S126 WeakPolarHBondContact OD2-CB 3.03Å; D90-R127 HydrophobicContact CB-CG 3.95Å; D90-R127 IonicContact OD2-NE 2.59Å; D90-N161 PolarHBondContact OD1-ND2 2.86Å; D90-N161 VanDerWaalsContact OD1-ND2 3.12Å
91N96.9Very high98Very high49 Ų4951.6 Ų51.626%0.26226%0.259SS..SBendtrans-129.3153.3179.776.664.5000109.8A89 V93 E94 N161A89-N91 WeakPolarHBondContact CB-ND2 3.33Å; A89-N91 PolarHBondContact O-N 3.28Å; N91-V93 PolarHBondContact O-N 3.35Å; N91-V93 WeakPolarHBondContact OD1-CA 3.31Å; N91-V93 WeakPolarHBondContact OD1-CG2 3.28Å; N91-V93 PolarHBondContact OD1-N 3.47Å; N91-E94 PolarHBondContact O-N 3.06Å; N91-E94 PolarHBondContact OD1-N 3.43Å; N91-N161 PolarHBondContact O-ND2 3.16Å
92P97.2Very high98Very high70 Ų7055.9 Ų55.946%0.45528%0.28SS..THydrogen-bonded Turntrans-66.1-14.7-177.5-24.936.1000116.2N161 V162 G163P92-N161 WeakPolarHBondContact CA-OD1 3.47Å; P92-V162 HydrophobicContact CB-CG2 4.07Å; P92-V162 HydrophobicContact CG-CG2 4.09Å; P92-G163 VanDerWaalsContact O-CA 3.31Å; P92-G163 WeakPolarHBondContact O-CA 2.93Å
93V97.4Very high98Very high135 Ų13548.3 Ų48.382%0.81825%0.252SS*.THydrogen-bonded Turntrans-98.7-5.5-179.8-59.10000112.9N91 N95N91-V93 PolarHBondContact O-N 3.35Å; N91-V93 WeakPolarHBondContact OD1-CA 3.31Å; N91-V93 WeakPolarHBondContact OD1-CG2 3.28Å; N91-V93 PolarHBondContact OD1-N 3.47Å; V93-N95 PolarHBondContact O-N 2.98Å
94E98Very high98Very high42 Ų4247.6 Ų47.620%0.19625%0.249CC..SBendtrans-66.7126.8176.7177.762.5-144.500109.9I88 A89 N91 I96 F164 Q167I88-E94 HydrophobicContact CG2-CG 3.7Å; A89-E94 HydrophobicContact CB-CB 4.45Å; A89-E94 HydrophobicContact CB-CG 4.4Å; A89-E94 VanDerWaalsContact O-CB 3.29Å; A89-E94 WeakPolarHBondContact O-CB 3.29Å; A89-E94 WeakPolarHBondContact O-CG 3.4Å; N91-E94 PolarHBondContact O-N 3.06Å; N91-E94 PolarHBondContact OD1-N 3.43Å; E94-I96 VanDerWaalsContact C-N 3.3Å; E94-I96 PolarHBondContact O-N 2.98Å; E94-F164 HydrophobicContact CB-CE1 3.95Å; E94-F164 HydrophobicContact CB-CZ 4.36Å; E94-F164 HydrophobicContact CG-CE1 4.27Å; E94-F164 HydrophobicContact CG-CZ 4.49Å; E94-Q167 PolarHBondContact O-NE2 3.04Å
95N97.9Very high97.9Very high62 Ų6253.4 Ų53.433%0.33228%0.276SS..  trans-81.278.9-179.9-179.1-32.3000109.3V93 I97 R98V93-N95 PolarHBondContact O-N 2.98Å; N95-I97 VanDerWaalsContact C-N 3.34Å; N95-I97 VanDerWaalsContact OD1-CG2 3.22Å; N95-I97 WeakPolarHBondContact OD1-CG2 3.45Å; N95-R98 VanDerWaalsContact CG-NE 3.31Å; N95-R98 VanDerWaalsContact CG-NH2 3.27Å; N95-R98 PolarHBondContact ND2-NH2 2.82Å; N95-R98 VanDerWaalsContact O-CG 3.31Å; N95-R98 WeakPolarHBondContact O-CG 3.33Å; N95-R98 PolarHBondContact O-NE 3.12Å; N95-R98 PolarHBondContact OD1-N 3.16Å; N95-R98 PolarHBondContact OD1-NE 3.42Å
96I98.5Very high98Very high0 Ų052.7 Ų52.70%027%0.269CS..  trans-73.2-27.4179.7-164.5168.5000112.4I88 E94 R98 Y99 F100 A130 L131 F164 Q167I88-I96 HydrophobicContact CD1-CD1 4.47Å; I88-I96 HydrophobicContact CD1-CG1 4.17Å; I88-I96 HydrophobicContact CG2-CB 4.47Å; I88-I96 HydrophobicContact CG2-CD1 4.08Å; I88-I96 HydrophobicContact CG2-CG1 4.09Å; E94-I96 VanDerWaalsContact C-N 3.3Å; E94-I96 PolarHBondContact O-N 2.98Å; I96-R98 PolarHBondContact O-N 3.21Å; I96-R98 VanDerWaalsContact O-N 3.12Å; I96-Y99 WeakPolarHBondContact O-CB 3.47Å; I96-Y99 WeakPolarHBondContact O-CD2 3.25Å; I96-Y99 PolarHBondContact O-N 2.98Å; I96-F100 HydrophobicContact CB-CE1 4.42Å; I96-F100 HydrophobicContact CD1-CE1 4.35Å; I96-F100 HydrophobicContact CG1-CE1 3.88Å; I96-F100 HydrophobicContact CG2-CE1 3.97Å; I96-F100 HydrophobicContact CG2-CZ 3.79Å; I96-A130 HydrophobicContact CD1-CB 3.88Å; I96-L131 HydrophobicContact CD1-CD2 4.18Å; I96-L131 HydrophobicContact CD1-CG 4.43Å; I96-L131 HydrophobicContact CG1-CD2 4.05Å; I96-F164 HydrophobicContact CB-CD1 3.8Å; I96-F164 HydrophobicContact CB-CE1 3.65Å; I96-F164 HydrophobicContact CB-CG 4.5Å; I96-F164 HydrophobicContact CB-CZ 4.26Å; I96-F164 HydrophobicContact CD1-CD1 4.24Å; I96-F164 HydrophobicContact CD1-CD2 4.01Å; I96-F164 HydrophobicContact CD1-CE1 4.08Å; I96-F164 HydrophobicContact CD1-CE2 3.87Å; I96-F164 HydrophobicContact CD1-CG 4.19Å; I96-F164 HydrophobicContact CD1-CZ 3.89Å; I96-F164 HydrophobicContact CG1-CE1 4.42Å; I96-F164 HydrophobicContact CG2-CB 4.26Å; I96-F164 HydrophobicContact CG2-CD1 3.33Å; I96-F164 HydrophobicContact CG2-CE1 3.76Å; I96-F164 HydrophobicContact CG2-CG 3.88Å; I96-Q167 HydrophobicContact CG2-CB 4.29Å
97I97.8Very high98Very high27 Ų2752.4 Ų52.414%0.13827%0.267CS..G310 helixtrans-59.1-30-173.5-165.8166.5000113.3N95 Y99 F100 Q167 E170 Y171 I174N95-I97 VanDerWaalsContact C-N 3.34Å; N95-I97 VanDerWaalsContact OD1-CG2 3.22Å; N95-I97 WeakPolarHBondContact OD1-CG2 3.45Å; I97-Y99 PolarHBondContact O-N 3.17Å; I97-F100 HydrophobicContact CB-CD2 4.21Å; I97-F100 HydrophobicContact CB-CE2 4Å; I97-F100 HydrophobicContact CG1-CD2 3.72Å; I97-F100 HydrophobicContact CG1-CE2 3.76Å; I97-F100 PolarHBondContact O-N 3.38Å; I97-Q167 HydrophobicContact CB-CB 4.19Å; I97-Q167 HydrophobicContact CB-CG 4.36Å; I97-Q167 WeakPolarHBondContact CD1-O 3.49Å; I97-E170 HydrophobicContact CD1-CB 4.48Å; I97-Y171 HydrophobicContact CD1-CD2 4.02Å; I97-Y171 HydrophobicContact CG1-CD2 3.75Å; I97-Y171 HydrophobicContact CG1-CE2 4.4Å; I97-Y171 HydrophobicContact CG1-CG 4.45Å; I97-I174 HydrophobicContact CD1-CD1 3.4Å; I97-I174 HydrophobicContact CG1-CD1 4.35Å
98R97.4Very high98Very high152 Ų15252 Ų5257%0.57427%0.265SS*.G310 helixtrans-61.6-24.5175.373.5-175.657.6179.7-6113.7N95 I96N95-R98 VanDerWaalsContact CG-NE 3.31Å; N95-R98 VanDerWaalsContact CG-NH2 3.27Å; N95-R98 PolarHBondContact ND2-NH2 2.82Å; N95-R98 VanDerWaalsContact O-CG 3.31Å; N95-R98 WeakPolarHBondContact O-CG 3.33Å; N95-R98 PolarHBondContact O-NE 3.12Å; N95-R98 PolarHBondContact OD1-N 3.16Å; N95-R98 PolarHBondContact OD1-NE 3.42Å; I96-R98 PolarHBondContact O-N 3.21Å; I96-R98 VanDerWaalsContact O-N 3.12Å
99Y98.6Very high98Very high51 Ų5153.9 Ų53.920%0.228%0.284CS..G310 helixtrans-89.5-13.5-177.1-60.4-76.4000113L86 I88 I96 I97 M102 T103L86-Y99 HydrophobicContact CD2-CD1 3.92Å; L86-Y99 HydrophobicContact CD2-CE1 4.43Å; I88-Y99 HydrophobicContact CD1-CD1 4.49Å; I88-Y99 HydrophobicContact CD1-CD2 3.67Å; I88-Y99 HydrophobicContact CD1-CE2 4.1Å; I88-Y99 HydrophobicContact CD1-CG 3.88Å; I88-Y99 HydrophobicContact CG1-CD2 3.8Å; I88-Y99 HydrophobicContact CG1-CE2 3.67Å; I88-Y99 HydrophobicContact CG1-CG 4.31Å; I96-Y99 WeakPolarHBondContact O-CB 3.47Å; I96-Y99 WeakPolarHBondContact O-CD2 3.25Å; I96-Y99 PolarHBondContact O-N 2.98Å; I97-Y99 PolarHBondContact O-N 3.17Å; Y99-M102 PolarHBondContact O-N 2.97Å; Y99-T103 WeakPolarHBondContact O-CB 3.19Å; Y99-T103 PolarHBondContact O-N 3.47Å; Y99-T103 PolarHBondContact O-OG1 2.79Å
100F98.4Very high98.1Very high4 Ų453 Ų532%0.01828%0.277CS..Hα-helixtrans-59.7-47.2-177.2-59.5-20.1000112.8I96 I97 M102 T103 K104 L131 A134 L168 Y171I96-F100 HydrophobicContact CB-CE1 4.42Å; I96-F100 HydrophobicContact CD1-CE1 4.35Å; I96-F100 HydrophobicContact CG1-CE1 3.88Å; I96-F100 HydrophobicContact CG2-CE1 3.97Å; I96-F100 HydrophobicContact CG2-CZ 3.79Å; I97-F100 HydrophobicContact CB-CD2 4.21Å; I97-F100 HydrophobicContact CB-CE2 4Å; I97-F100 HydrophobicContact CG1-CD2 3.72Å; I97-F100 HydrophobicContact CG1-CE2 3.76Å; I97-F100 PolarHBondContact O-N 3.38Å; F100-M102 PolarHBondContact O-N 2.83Å; F100-T103 PolarHBondContact O-N 2.85Å; F100-K104 WeakPolarHBondContact O-CB 3.44Å; F100-K104 PolarHBondContact O-N 2.99Å; F100-L131 HydrophobicContact CD1-CD2 3.68Å; F100-L131 HydrophobicContact CE1-CD2 3.92Å; F100-A134 HydrophobicContact CB-CB 4.01Å; F100-A134 HydrophobicContact CD1-CB 3.56Å; F100-A134 HydrophobicContact CD2-CB 3.59Å; F100-A134 HydrophobicContact CE1-CB 3.79Å; F100-A134 HydrophobicContact CE2-CB 3.83Å; F100-A134 HydrophobicContact CG-CB 3.45Å; F100-A134 VanDerWaalsContact CG-CB 3.45Å; F100-A134 HydrophobicContact CZ-CB 3.92Å; F100-L168 HydrophobicContact CE1-CD2 4.47Å; F100-L168 HydrophobicContact CE2-CD2 3.91Å; F100-L168 HydrophobicContact CE2-CG 4.48Å; F100-L168 HydrophobicContact CZ-CD2 3.69Å; F100-L168 HydrophobicContact CZ-CG 4.14Å; F100-Y171 HydrophobicContact CB-CD1 4.46Å; F100-Y171 HydrophobicContact CB-CD2 4.5Å; F100-Y171 HydrophobicContact CB-CE1 3.8Å; F100-Y171 HydrophobicContact CB-CE2 3.81Å; F100-Y171 VanDerWaalsContact CB-CZ 3.43Å; F100-Y171 WeakPolarHBondContact CB-OH 3.24Å; F100-Y171 AromaticContact CD2-CD1 3.64Å; F100-Y171 HydrophobicContact CD2-CD1 3.64Å; F100-Y171 AromaticContact CD2-CD2 3.59Å; F100-Y171 HydrophobicContact CD2-CD2 3.59Å; F100-Y171 AromaticContact CD2-CE1 3.86Å; F100-Y171 HydrophobicContact CD2-CE1 3.86Å; F100-Y171 AromaticContact CD2-CE2 3.77Å; F100-Y171 HydrophobicContact CD2-CE2 3.77Å; F100-Y171 AromaticContact CD2-CG 3.52Å; F100-Y171 HydrophobicContact CD2-CG 3.52Å; F100-Y171 AromaticContact CD2-CZ 3.92Å; F100-Y171 HydrophobicContact CE2-CD1 4.29Å; F100-Y171 HydrophobicContact CE2-CD2 4.34Å; F100-Y171 HydrophobicContact CE2-CG 4.02Å; F100-Y171 HydrophobicContact CG-CD1 4.45Å; F100-Y171 HydrophobicContact CG-CE1 4.25Å; F100-Y171 HydrophobicContact CG-CE2 4.32Å
101P97.3Very high98.1Very high45 Ų4552.2 Ų52.229%0.29227%0.273SS..Hα-helixtrans-63.6-44.2-179.4-23.135.2000113.1T103 K104 E105P101-T103 VanDerWaalsContact C-N 3.35Å; P101-T103 PolarHBondContact O-N 2.91Å; P101-K104 PolarHBondContact O-N 2.82Å; P101-E105 PolarHBondContact O-N 3.19Å
102M98.1Very high98.2Very high102 Ų10254.3 Ų54.350%0.50230%0.297SS..Hα-helixtrans-64.2-41.2178.3177.4-174.9-71.100111.5L84 L86 Y99 F100 E105 F106L84-M102 HydrophobicContact CD1-CG 4.34Å; L84-M102 HydrophobicContact CD1-SD 3.94Å; L84-M102 HydrophobicContact CD2-CG 4.35Å; L86-M102 HydrophobicContact CD2-SD 4.15Å; Y99-M102 PolarHBondContact O-N 2.97Å; F100-M102 PolarHBondContact O-N 2.83Å; M102-E105 PolarHBondContact O-N 3.17Å; M102-F106 PolarHBondContact O-N 3.43Å; M102-F106 VanDerWaalsContact O-N 3.09Å
103T98.6Very high98.2Very high1 Ų154.9 Ų54.91%0.00630%0.302CS..Hα-helixtrans-66.3-41.5177.8-53.90000110.9V62 L86 Y99 F100 P101 F106 I107 L131V62-T103 HydrophobicContact CG1-CG2 4.45Å; L86-T103 WeakPolarHBondContact CD1-OG1 3.15Å; Y99-T103 WeakPolarHBondContact O-CB 3.19Å; Y99-T103 PolarHBondContact O-N 3.47Å; Y99-T103 PolarHBondContact O-OG1 2.79Å; F100-T103 PolarHBondContact O-N 2.85Å; P101-T103 VanDerWaalsContact C-N 3.35Å; P101-T103 PolarHBondContact O-N 2.91Å; T103-F106 PolarHBondContact O-N 3.48Å; T103-I107 HydrophobicContact CG2-CD1 3.86Å; T103-I107 HydrophobicContact CG2-CG1 4.46Å; T103-I107 VanDerWaalsContact O-CG1 3.3Å; T103-I107 WeakPolarHBondContact O-CG1 3.46Å; T103-I107 PolarHBondContact O-N 3.12Å; T103-L131 HydrophobicContact CG2-CB 4.09Å; T103-L131 HydrophobicContact CG2-CD1 4.17Å
104K98.3Very high98.2Very high30 Ų3051.8 Ų51.813%0.1330%0.298CS..Hα-helixtrans-59.5-50.6174.5172169.2176.750.30111.7F100 P101 F106 I107 D108 Y135 E138 T139F100-K104 WeakPolarHBondContact O-CB 3.44Å; F100-K104 PolarHBondContact O-N 2.99Å; P101-K104 PolarHBondContact O-N 2.82Å; K104-F106 VanDerWaalsContact C-N 3.25Å; K104-F106 PolarHBondContact O-N 3.01Å; K104-I107 PolarHBondContact O-N 2.84Å; K104-I107 VanDerWaalsContact O-N 3.12Å; K104-D108 VanDerWaalsContact CE-OD2 3.27Å; K104-D108 WeakPolarHBondContact CE-OD2 3.23Å; K104-D108 VanDerWaalsContact CG-OD2 3.29Å; K104-D108 WeakPolarHBondContact CG-OD2 3.29Å; K104-D108 VanDerWaalsContact NZ-CG 3.34Å; K104-D108 IonicContact NZ-OD1 2.88Å; K104-D108 PolarHBondContact NZ-OD1 3Å; K104-D108 VanDerWaalsContact NZ-OD1 3.14Å; K104-D108 IonicContact NZ-OD2 3.88Å; K104-D108 PolarHBondContact NZ-OD2 2.9Å; K104-D108 WeakPolarHBondContact O-CB 3.34Å; K104-D108 PolarHBondContact O-N 3.33Å; K104-Y135 HydrophobicContact CB-CD2 4.08Å; K104-Y135 HydrophobicContact CG-CD2 3.93Å; K104-Y135 HydrophobicContact CG-CE2 4.14Å; K104-E138 HydrophobicContact CD-CB 4.17Å; K104-E138 HydrophobicContact CD-CG 3.71Å; K104-E138 VanDerWaalsContact CD-OE2 3.24Å; K104-E138 WeakPolarHBondContact CD-OE2 3.48Å; K104-T139 PolarHBondContact NZ-OG1 3.38Å
105E98.5Very high98.2Very high147 Ų14750.2 Ų50.269%0.68729%0.293SS*.Hα-helixtrans-57-41.2179.7-177.3177.5-167.200111.9P101 M102 G109P101-E105 PolarHBondContact O-N 3.19Å; M102-E105 PolarHBondContact O-N 3.17Å; E105-G109 PolarHBondContact O-N 3.09Å
106F98.9Very high98.2Very high36 Ų3649.7 Ų49.716%0.15829%0.288CS..Hα-helixtrans-66-41.8176.9-174.3-95.1000112.8H60 V62 L84 M102 T103 K104 C110 V117H60-F106 HydrophobicContact CB-CE1 3.77Å; H60-F106 HydrophobicContact CB-CZ 3.91Å; H60-F106 AromaticContact CD2-CZ 3.63Å; V62-F106 HydrophobicContact CG2-CD1 3.57Å; V62-F106 HydrophobicContact CG2-CE1 3.72Å; L84-F106 HydrophobicContact CB-CD1 3.98Å; L84-F106 HydrophobicContact CB-CD2 3.86Å; L84-F106 HydrophobicContact CB-CE1 3.94Å; L84-F106 HydrophobicContact CB-CE2 3.83Å; L84-F106 HydrophobicContact CB-CG 3.93Å; L84-F106 HydrophobicContact CB-CZ 3.85Å; L84-F106 HydrophobicContact CD2-CB 3.83Å; L84-F106 HydrophobicContact CD2-CD1 4.28Å; L84-F106 HydrophobicContact CD2-CD2 4.44Å; L84-F106 HydrophobicContact CD2-CG 3.95Å; M102-F106 PolarHBondContact O-N 3.43Å; M102-F106 VanDerWaalsContact O-N 3.09Å; T103-F106 PolarHBondContact O-N 3.48Å; K104-F106 VanDerWaalsContact C-N 3.25Å; K104-F106 PolarHBondContact O-N 3.01Å; F106-C110 WeakPolarHBondContact O-CB 3.45Å; F106-C110 PolarHBondContact O-N 3.12Å; F106-C110 VanDerWaalsContact O-N 3.08Å; F106-V117 HydrophobicContact CE1-CG2 4.25Å
107I98.8Very high98.3Very high0 Ų049.7 Ų49.70%029%0.288CS..Hα-helixtrans-66.7-49176.3-66.7167.4000110.3L37 T103 K104 G109 C110 L111 V117 V119 Y135L37-I107 HydrophobicContact CD1-CD1 4.1Å; L37-I107 HydrophobicContact CD1-CG1 4.42Å; L37-I107 HydrophobicContact CD1-CG2 4.28Å; T103-I107 HydrophobicContact CG2-CD1 3.86Å; T103-I107 HydrophobicContact CG2-CG1 4.46Å; T103-I107 VanDerWaalsContact O-CG1 3.3Å; T103-I107 WeakPolarHBondContact O-CG1 3.46Å; T103-I107 PolarHBondContact O-N 3.12Å; K104-I107 PolarHBondContact O-N 2.84Å; K104-I107 VanDerWaalsContact O-N 3.12Å; I107-G109 VanDerWaalsContact C-N 3.33Å; I107-G109 PolarHBondContact O-N 3.46Å; I107-C110 WeakPolarHBondContact O-CB 3Å; I107-C110 PolarHBondContact O-N 3.15Å; I107-C110 VanDerWaalsContact O-N 3.15Å; I107-L111 HydrophobicContact CG2-CD1 3.8Å; I107-L111 HydrophobicContact CG2-CG 4.22Å; I107-L111 WeakPolarHBondContact O-CG 3.47Å; I107-L111 PolarHBondContact O-N 2.81Å; I107-V117 HydrophobicContact CG1-CG1 4.28Å; I107-V117 HydrophobicContact CG2-CG1 4.1Å; I107-V119 HydrophobicContact CD1-CG2 4.06Å; I107-V119 HydrophobicContact CG1-CG2 4.45Å; I107-Y135 HydrophobicContact CB-CD2 4.06Å; I107-Y135 HydrophobicContact CB-CE2 3.81Å; I107-Y135 HydrophobicContact CD1-CD1 4.46Å; I107-Y135 HydrophobicContact CD1-CD2 3.97Å; I107-Y135 HydrophobicContact CD1-CG 3.93Å; I107-Y135 HydrophobicContact CG2-CD1 4.32Å; I107-Y135 HydrophobicContact CG2-CD2 3.97Å; I107-Y135 HydrophobicContact CG2-CE1 3.87Å; I107-Y135 HydrophobicContact CG2-CE2 3.43Å; I107-Y135 VanDerWaalsContact CG2-CE2 3.43Å; I107-Y135 HydrophobicContact CG2-CG 4.38Å
108D98.5Very high98.3Very high55 Ų5548.4 Ų48.429%0.29428%0.281SS..Hα-helixtrans-57-47.5178.7-75.2-20.7000110.6K104 C110 L111 A112 Y135K104-D108 VanDerWaalsContact CE-OD2 3.27Å; K104-D108 WeakPolarHBondContact CE-OD2 3.23Å; K104-D108 VanDerWaalsContact CG-OD2 3.29Å; K104-D108 WeakPolarHBondContact CG-OD2 3.29Å; K104-D108 VanDerWaalsContact NZ-CG 3.34Å; K104-D108 IonicContact NZ-OD1 2.88Å; K104-D108 PolarHBondContact NZ-OD1 3Å; K104-D108 VanDerWaalsContact NZ-OD1 3.14Å; K104-D108 IonicContact NZ-OD2 3.88Å; K104-D108 PolarHBondContact NZ-OD2 2.9Å; K104-D108 WeakPolarHBondContact O-CB 3.34Å; K104-D108 PolarHBondContact O-N 3.33Å; D108-C110 VanDerWaalsContact C-N 3.33Å; D108-C110 PolarHBondContact O-N 3.42Å; D108-L111 PolarHBondContact O-N 3.2Å; D108-A112 WeakPolarHBondContact O-CB 3.31Å; D108-A112 PolarHBondContact O-N 2.95Å; D108-Y135 VanDerWaalsContact OD1-CE2 3.31Å; D108-Y135 WeakPolarHBondContact OD1-CE2 3.45Å; D108-Y135 PolarHBondContact OD1-OH 3.13Å
109G98.6Very high98.4Very high40 Ų4041.2 Ų41.241%0.41225%0.254SS..Hα-helixtrans-62.2-38177.900000113.2E105 I107 S113E105-G109 PolarHBondContact O-N 3.09Å; I107-G109 VanDerWaalsContact C-N 3.33Å; I107-G109 PolarHBondContact O-N 3.46Å; G109-S113 PolarHBondContact O-N 3.04Å; G109-S113 PolarHBondContact O-OG 3.34Å
110C98.6Very high98.4Very high0 Ų038.8 Ų38.80%025%0.245CC..Hα-helixtrans-61.9-54.8173.31740000111.1H60 F106 I107 D108 A112 S113 G115 V117H60-C110 HydrophobicContact CB-CB 4.13Å; H60-C110 VanDerWaalsContact CG-SG 3.58Å; H60-C110 PolarHBondContact ND1-SG 2.94Å; F106-C110 WeakPolarHBondContact O-CB 3.45Å; F106-C110 PolarHBondContact O-N 3.12Å; F106-C110 VanDerWaalsContact O-N 3.08Å; I107-C110 WeakPolarHBondContact O-CB 3Å; I107-C110 PolarHBondContact O-N 3.15Å; I107-C110 VanDerWaalsContact O-N 3.15Å; D108-C110 VanDerWaalsContact C-N 3.33Å; D108-C110 PolarHBondContact O-N 3.42Å; C110-A112 PolarHBondContact O-N 3.4Å; C110-S113 PolarHBondContact O-N 3.01Å; C110-S113 VanDerWaalsContact O-N 3.15Å; C110-S113 PolarHBondContact O-OG 3.33Å; C110-G115 PolarHBondContact O-N 3.13Å; C110-G115 PolarHBondContact SG-O 3.43Å; C110-G115 VanDerWaalsContact SG-O 3.38Å; C110-V117 HydrophobicContact CB-CB 4.29Å
111L98.3Very high98.3Very high49 Ų4938.7 Ų38.726%0.25725%0.245SC..Hα-helixtrans-65.9-39-174.6-63.2177.9000111.6I107 D108 S113 G114 Y135I107-L111 HydrophobicContact CG2-CD1 3.8Å; I107-L111 HydrophobicContact CG2-CG 4.22Å; I107-L111 WeakPolarHBondContact O-CG 3.47Å; I107-L111 PolarHBondContact O-N 2.81Å; D108-L111 PolarHBondContact O-N 3.2Å; L111-S113 PolarHBondContact O-N 2.86Å; L111-G114 PolarHBondContact O-N 3.05Å; L111-Y135 WeakPolarHBondContact CD1-OH 3.41Å
112A98.1Very high98.3Very high93 Ų9340 Ų4077%0.76925%0.249SC*.Hα-helixtrans-62.6-27.6175.800000113.1D108 C110 G114D108-A112 WeakPolarHBondContact O-CB 3.31Å; D108-A112 PolarHBondContact O-N 2.95Å; C110-A112 PolarHBondContact O-N 3.4Å; A112-G114 VanDerWaalsContact C-N 3.26Å; A112-G114 PolarHBondContact O-N 3.19Å
113S97.4Very high98.3Very high81 Ų8137.4 Ų37.457%0.56624%0.244SC*.THydrogen-bonded Turntrans-83.24173.972.90000114.2G109 C110 L111 G115G109-S113 PolarHBondContact O-N 3.04Å; G109-S113 PolarHBondContact O-OG 3.34Å; C110-S113 PolarHBondContact O-N 3.01Å; C110-S113 VanDerWaalsContact O-N 3.15Å; C110-S113 PolarHBondContact O-OG 3.33Å; L111-S113 PolarHBondContact O-N 2.86Å; S113-G115 PolarHBondContact O-N 3.27Å
114G97.3Very high98.2Very high71 Ų7137.4 Ų37.473%0.73224%0.244SC*.THydrogen-bonded Turntrans74.58.9-173.800000114L111 A112L111-G114 PolarHBondContact O-N 3.05Å; A112-G114 VanDerWaalsContact C-N 3.26Å; A112-G114 PolarHBondContact O-N 3.19Å
115G98.2Very high98.2Very high8 Ų838.5 Ų38.58%0.08225%0.251CS..  trans-84.4162.9177.900000112.6T59 C110 S113T59-G115 WeakPolarHBondContact OG1-CA 3.35Å; C110-G115 PolarHBondContact O-N 3.13Å; C110-G115 PolarHBondContact SG-O 3.43Å; C110-G115 VanDerWaalsContact SG-O 3.38Å; S113-G115 PolarHBondContact O-N 3.27Å
116K98.8Very high98.2Very high52 Ų5231.9 Ų31.923%0.22622%0.221CC..EExtended strand (participates in β ladder)trans-112.1145.9172.1-55.8175.5176.4160.70111.5G36 F38 Q56 E57 I58 T59 H60G36-K116 CarbonylContact O-C 3.37Å; G36-K116 VanDerWaalsContact O-CA 3.27Å; G36-K116 WeakPolarHBondContact O-CA 3Å; G36-K116 WeakPolarHBondContact O-CB 3.41Å; F38-K116 HydrophobicContact CE2-CB 4.39Å; F38-K116 HydrophobicContact CE2-CD 4.3Å; Q56-K116 WeakPolarHBondContact O-CD 3.43Å; E57-K116 HydrophobicContact CB-CD 4.11Å; E57-K116 WeakPolarHBondContact O-CB 3.03Å; E57-K116 IonicContact OE2-NZ 3.53Å; E57-K116 PolarHBondContact OE2-NZ 3.4Å; I58-K116 HydrophobicContact CD1-CB 4.1Å; T59-K116 PolarHBondContact N-O 3.46Å; T59-K116 PolarHBondContact OG1-N 2.82Å; T59-K116 PolarHBondContact OG1-O 2.88Å; H60-K116 PolarHBondContact N-O 2.98Å; H60-K116 VanDerWaalsContact N-O 3.12Å
117V98.9Very high98.2Very high0 Ų030.7 Ų30.70%022%0.215CC..EExtended strand (participates in β ladder)trans-122.3135.9-174.557.40000111.8G36 L37 F38 H60 V62 F106 I107 C110 V119G36-V117 PolarHBondContact O-N 3.11Å; L37-V117 HydrophobicContact CB-CG1 4.48Å; L37-V117 HydrophobicContact CD1-CG1 3.66Å; F38-V117 PolarHBondContact N-O 3.5Å; H60-V117 HydrophobicContact CB-CB 4Å; H60-V117 HydrophobicContact CB-CG2 3.94Å; H60-V117 VanDerWaalsContact O-CA 3.29Å; H60-V117 WeakPolarHBondContact O-CA 3.13Å; V62-V117 HydrophobicContact CG2-CG2 4.2Å; F106-V117 HydrophobicContact CE1-CG2 4.25Å; I107-V117 HydrophobicContact CG1-CG1 4.28Å; I107-V117 HydrophobicContact CG2-CG1 4.1Å; C110-V117 HydrophobicContact CB-CB 4.29Å; V117-V119 HydrophobicContact CG2-CG2 4.36Å
118L98.9Very high98.2Very high0 Ų030.8 Ų30.80%022%0.216CC..EExtended strand (participates in β ladder)trans-104.8117.6167.3170.462.2000110.1M30 F38 A45 L53 I58 H60 L61 V62 H120M30-L118 HydrophobicContact CB-CD1 3.7Å; M30-L118 HydrophobicContact CG-CD1 4.44Å; M30-L118 HydrophobicContact SD-CD1 3.94Å; M30-L118 HydrophobicContact SD-CD2 3.86Å; M30-L118 HydrophobicContact SD-CG 4.33Å; F38-L118 HydrophobicContact CB-CB 4.41Å; F38-L118 HydrophobicContact CB-CD1 3.88Å; A45-L118 HydrophobicContact CB-CD2 4.23Å; L53-L118 HydrophobicContact CD2-CD2 3.91Å; I58-L118 HydrophobicContact CD1-CB 4.32Å; I58-L118 HydrophobicContact CG2-CB 4.23Å; H60-L118 PolarHBondContact O-N 2.85Å; L61-L118 CarbonylContact C-O 3.55Å; L61-L118 VanDerWaalsContact CA-O 3.28Å; L61-L118 WeakPolarHBondContact CA-O 3.42Å; L61-L118 HydrophobicContact CD2-CD2 4.15Å; L61-L118 HydrophobicContact CG-CB 4.33Å; V62-L118 PolarHBondContact N-O 3.45Å; L118-H120 HydrophobicContact CD1-CB 4.46Å; L118-H120 HydrophobicContact CG-CB 4.28Å
119V98.9Very high98.2Very high0 Ų028.1 Ų28.10%020%0.202CC..EExtended strand (participates in β ladder)trans-94.4116.6168.7-175.10000108.3L37 F38 L39 G40 V62 I107 V117 V132L37-V119 HydrophobicContact CD1-CG2 3.8Å; F38-V119 PolarHBondContact O-N 3.06Å; L39-V119 WeakPolarHBondContact CA-O 3.28Å; L39-V119 WeakPolarHBondContact CD1-O 3.38Å; G40-V119 PolarHBondContact N-O 2.95Å; G40-V119 VanDerWaalsContact N-O 3.14Å; V62-V119 HydrophobicContact CB-CB 4.25Å; V62-V119 HydrophobicContact CB-CG1 4.02Å; V62-V119 HydrophobicContact CB-CG2 4.04Å; V62-V119 HydrophobicContact CG1-CG1 4.24Å; V62-V119 HydrophobicContact CG2-CG2 3.94Å; I107-V119 HydrophobicContact CD1-CG2 4.06Å; I107-V119 HydrophobicContact CG1-CG2 4.45Å; V117-V119 HydrophobicContact CG2-CG2 4.36Å; V119-V132 HydrophobicContact CB-CG2 3.77Å; V119-V132 HydrophobicContact CG1-CG2 3.86Å; V119-V132 HydrophobicContact CG2-CG2 4.01Å
120H98.7Very high98.2Very high1 Ų126.2 Ų26.21%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-130.2146.2-177.877.480.7000113G40 Y42 V62 C63 V64 L118 S128G40-H120 WeakPolarHBondContact O-CA 3.49Å; G40-H120 VanDerWaalsContact O-CB 3.3Å; G40-H120 WeakPolarHBondContact O-CB 3.48Å; Y42-H120 AromaticContact CD2-CE1 3.61Å; Y42-H120 AromaticContact CD2-ND1 3.94Å; V62-H120 PolarHBondContact O-CD2 3.13Å; V62-H120 PolarHBondContact O-N 2.59Å; C63-H120 VanDerWaalsContact SG-CE1 3.58Å; V64-H120 WeakPolarHBondContact CB-O 3.13Å; V64-H120 PolarHBondContact N-O 2.92Å; L118-H120 HydrophobicContact CD1-CB 4.46Å; L118-H120 HydrophobicContact CG-CB 4.28Å; H120-S128 VanDerWaalsContact C-CB 3.48Å
121G97.6Very high98.2Very high2 Ų226.3 Ų26.32%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-110.8-165.816600000110.1G40 P41 Y42 V64 S128G40-G121 PolarHBondContact O-N 3.47Å; P41-G121 CarbonylContact C-O 3.07Å; Y42-G121 WeakPolarHBondContact CB-O 3.24Å; Y42-G121 PolarHBondContact N-O 3.47Å; V64-G121 WeakPolarHBondContact O-CA 3.5Å; G121-S128 VanDerWaalsContact N-CB 3.33Å; G121-S128 PolarHBondContact N-OG 2.9Å
122N97.3Very high98.2Very high73 Ų7324 Ų2439%0.3917%0.17SC..SBendtrans-57.9-62.4167.9-1720000110.9P41 Y42 E69 I73P41-N122 WeakPolarHBondContact CA-O 3.24Å; P41-N122 WeakPolarHBondContact CB-O 3.41Å; Y42-N122 PolarHBondContact N-O 2.92Å; E69-N122 PolarHBondContact OE1-ND2 2.71Å; I73-N122 HydrophobicContact CD1-CB 3.51Å
123A97Very high98.3Very high47 Ų4719.6 Ų19.639%0.38813%0.134SC..SBendtrans-98.4-9.917900000114.2I125 R155A123-I125 VanDerWaalsContact C-N 3.3Å; A123-I125 HydrophobicContact CB-CB 4.33Å; A123-I125 HydrophobicContact CB-CD1 3.76Å; A123-I125 HydrophobicContact CB-CG1 3.88Å; A123-I125 PolarHBondContact O-N 3.21Å; A123-R155 PolarHBondContact O-NH2 3.3Å
124G96.9Very high98.3Very high1 Ų115.8 Ų15.81%0.0111%0.107CC..SBendtrans66.530.2-174.400000113.8G40 S128 R155G40-G124 WeakPolarHBondContact O-CA 3.37Å; G124-S128 WeakPolarHBondContact CA-OG 3.07Å; G124-R155 PolarHBondContact O-NE 3.33Å
125I98.1Very high98.4Very high53 Ų5313 Ų1327%0.2728%0.075SC..SBendtrans-109.2-50.3-171.5-69.2177.2000111.9A123 A129 C157 N159A123-I125 VanDerWaalsContact C-N 3.3Å; A123-I125 HydrophobicContact CB-CB 4.33Å; A123-I125 HydrophobicContact CB-CD1 3.76Å; A123-I125 HydrophobicContact CB-CG1 3.88Å; A123-I125 PolarHBondContact O-N 3.21Å; I125-A129 WeakPolarHBondContact O-CB 3.5Å; I125-C157 WeakPolarHBondContact CG2-O 3.28Å; I125-N159 HydrophobicContact CG2-CB 3.8Å; I125-N159 CarbonylContact O-C 3.56Å; I125-N159 PolarHBondContact O-N 2.92Å
126S98.6Very high98.4Very high8 Ų812.6 Ų12.66%0.0567%0.071CC..SBendtrans-110.7-81.2-170.5171.40000112.8D90 S128 A129 A130 N159 N161 F164D90-S126 VanDerWaalsContact OD1-CB 3.24Å; D90-S126 WeakPolarHBondContact OD1-CB 3.13Å; D90-S126 PolarHBondContact OD1-OG 2.94Å; D90-S126 VanDerWaalsContact OD2-CB 3.31Å; D90-S126 WeakPolarHBondContact OD2-CB 3.03Å; S126-S128 PolarHBondContact O-N 2.94Å; S126-A129 WeakPolarHBondContact O-CB 3.22Å; S126-A129 PolarHBondContact O-N 2.77Å; S126-A129 VanDerWaalsContact O-N 3.12Å; S126-A130 PolarHBondContact O-N 2.91Å; S126-N159 WeakPolarHBondContact CB-O 3.41Å; S126-N161 PolarHBondContact OG-N 3.48Å; S126-N161 VanDerWaalsContact OG-N 3.09Å; S126-F164 WeakPolarHBondContact OG-CD2 3.49Å
127R98.6Very high98.4Very high11 Ų1110.1 Ų10.14%0.0426%0.06CC..Hα-helixtrans-50.4-57.1-175.6-65.6168.2-79.6177.8-4.6114.4V64 E69 I88 D90 A129 A130 L131 F164V64-R127 HydrophobicContact CG1-CB 3.64Å; V64-R127 HydrophobicContact CG1-CG 4.46Å; E69-R127 IonicContact OE1-NH2 3.18Å; E69-R127 PolarHBondContact OE1-NH2 3.35Å; E69-R127 IonicContact OE2-CZ 3.37Å; E69-R127 IonicContact OE2-NH1 2.75Å; E69-R127 PolarHBondContact OE2-NH1 2.78Å; E69-R127 IonicContact OE2-NH2 3.05Å; E69-R127 PolarHBondContact OE2-NH2 2.95Å; I88-R127 HydrophobicContact CG2-CG 4.08Å; I88-R127 WeakPolarHBondContact O-CD 3.4Å; I88-R127 PolarHBondContact O-NH1 2.81Å; D90-R127 HydrophobicContact CB-CG 3.95Å; D90-R127 IonicContact OD2-NE 2.59Å; R127-A129 VanDerWaalsContact C-N 3.31Å; R127-A129 PolarHBondContact O-N 2.93Å; R127-A130 PolarHBondContact O-N 2.85Å; R127-L131 PolarHBondContact O-N 2.87Å; R127-F164 HydrophobicContact CB-CE2 4.18Å; R127-F164 HydrophobicContact CG-CE2 3.54Å; R127-F164 HydrophobicContact CG-CZ 3.93Å
128S98.8Very high98.3Very high1 Ų111.4 Ų11.41%0.0077%0.066CC..Hα-helixtrans-67.4-32.1-17959.40000112.6L39 H120 G121 G124 S126 V132L39-S128 WeakPolarHBondContact CD1-OG 3.36Å; H120-S128 VanDerWaalsContact C-CB 3.48Å; G121-S128 VanDerWaalsContact N-CB 3.33Å; G121-S128 PolarHBondContact N-OG 2.9Å; G124-S128 WeakPolarHBondContact CA-OG 3.07Å; S126-S128 PolarHBondContact O-N 2.94Å; S128-V132 WeakPolarHBondContact O-CG2 3.34Å; S128-V132 PolarHBondContact O-N 2.82Å
129A98.8Very high98.2Very high0 Ų012.7 Ų12.70%07%0.074CC..Hα-helixtrans-68.2-42.1175.400000111L39 I125 S126 R127 L131 V132 I133 I158 P160L39-A129 HydrophobicContact CD2-CB 4Å; I125-A129 WeakPolarHBondContact O-CB 3.5Å; S126-A129 WeakPolarHBondContact O-CB 3.22Å; S126-A129 PolarHBondContact O-N 2.77Å; S126-A129 VanDerWaalsContact O-N 3.12Å; R127-A129 VanDerWaalsContact C-N 3.31Å; R127-A129 PolarHBondContact O-N 2.93Å; A129-L131 VanDerWaalsContact C-N 3.34Å; A129-L131 PolarHBondContact O-N 2.87Å; A129-V132 PolarHBondContact O-N 2.91Å; A129-V132 VanDerWaalsContact O-N 3.17Å; A129-I133 WeakPolarHBondContact O-CD1 3.3Å; A129-I133 VanDerWaalsContact O-CG1 3.24Å; A129-I133 WeakPolarHBondContact O-CG1 3.12Å; A129-I133 PolarHBondContact O-N 3.37Å; A129-I158 HydrophobicContact CB-CB 3.98Å; A129-I158 HydrophobicContact CB-CG2 3.75Å; A129-P160 HydrophobicContact CB-CG 4.41Å
130A98.8Very high98Very high0 Ų014 Ų140%08%0.08CC..Hα-helixtrans-58.5-44.2175.300000111.9I96 S126 R127 V132 I133 A134 P160 F164 L168I96-A130 HydrophobicContact CD1-CB 3.88Å; S126-A130 PolarHBondContact O-N 2.91Å; R127-A130 PolarHBondContact O-N 2.85Å; A130-V132 VanDerWaalsContact C-N 3.34Å; A130-V132 PolarHBondContact O-N 2.79Å; A130-I133 PolarHBondContact O-N 3.47Å; A130-A134 WeakPolarHBondContact O-CB 3.35Å; A130-A134 PolarHBondContact O-N 3.46Å; A130-P160 HydrophobicContact CB-CB 4.33Å; A130-F164 HydrophobicContact CB-CB 4.08Å; A130-F164 HydrophobicContact CB-CD2 4.08Å; A130-F164 HydrophobicContact CB-CG 4.35Å; A130-L168 HydrophobicContact CB-CD1 4.15Å; A130-L168 WeakPolarHBondContact O-CD2 3.46Å
131L98.9Very high97.8Very high2 Ų215.2 Ų15.21%0.019%0.093CC..Hα-helixtrans-60.3-42.1175.1-63.8-179.2000112.7V62 V64 L86 I88 I96 F100 T103 R127 A129 A134 Y135V62-L131 HydrophobicContact CG1-CD1 4.39Å; V64-L131 HydrophobicContact CG2-CD1 3.49Å; V64-L131 VanDerWaalsContact CG2-CD1 3.49Å; L86-L131 HydrophobicContact CD1-CD1 3.63Å; I88-L131 HydrophobicContact CD1-CD1 4.33Å; I88-L131 HydrophobicContact CD1-CD2 4.44Å; I96-L131 HydrophobicContact CD1-CD2 4.18Å; I96-L131 HydrophobicContact CD1-CG 4.43Å; I96-L131 HydrophobicContact CG1-CD2 4.05Å; F100-L131 HydrophobicContact CD1-CD2 3.68Å; F100-L131 HydrophobicContact CE1-CD2 3.92Å; T103-L131 HydrophobicContact CG2-CB 4.09Å; T103-L131 HydrophobicContact CG2-CD1 4.17Å; R127-L131 PolarHBondContact O-N 2.87Å; A129-L131 VanDerWaalsContact C-N 3.34Å; A129-L131 PolarHBondContact O-N 2.87Å; L131-A134 PolarHBondContact O-N 3.14Å; L131-Y135 WeakPolarHBondContact O-CB 3.36Å; L131-Y135 PolarHBondContact O-N 3.12Å
132V98.9Very high97.7Very high0 Ų016.3 Ų16.30%010%0.099CC..Hα-helixtrans-68.2-40.7178.1171.10000111.4I33 L37 L39 V119 S128 A129 A130 Y135 L136 V151I33-V132 HydrophobicContact CB-CG1 4.42Å; I33-V132 HydrophobicContact CG1-CG1 4.33Å; I33-V132 HydrophobicContact CG2-CG1 3.96Å; L37-V132 HydrophobicContact CD2-CG1 4.22Å; L39-V132 HydrophobicContact CB-CG2 4.43Å; L39-V132 HydrophobicContact CD1-CG2 4.18Å; V119-V132 HydrophobicContact CB-CG2 3.77Å; V119-V132 HydrophobicContact CG1-CG2 3.86Å; V119-V132 HydrophobicContact CG2-CG2 4.01Å; S128-V132 WeakPolarHBondContact O-CG2 3.34Å; S128-V132 PolarHBondContact O-N 2.82Å; A129-V132 PolarHBondContact O-N 2.91Å; A129-V132 VanDerWaalsContact O-N 3.17Å; A130-V132 VanDerWaalsContact C-N 3.34Å; A130-V132 PolarHBondContact O-N 2.79Å; V132-Y135 WeakPolarHBondContact O-CB 3.4Å; V132-Y135 PolarHBondContact O-N 3.08Å; V132-L136 HydrophobicContact CG1-CD1 3.93Å; V132-L136 WeakPolarHBondContact O-CD1 3.34Å; V132-L136 PolarHBondContact O-N 3.16Å; V132-V151 HydrophobicContact CG1-CG1 4.4Å; V132-V151 HydrophobicContact CG1-CG2 4.03Å
133I98.8Very high97.6Very high0 Ų019 Ų190%011%0.107CC..Hα-helixtrans-61.9-47175.3-66.5160.6000110A129 A130 Y135 L136 M137 Y144 A147 F148 V151 I158 P160 L168A129-I133 WeakPolarHBondContact O-CD1 3.3Å; A129-I133 VanDerWaalsContact O-CG1 3.24Å; A129-I133 WeakPolarHBondContact O-CG1 3.12Å; A129-I133 PolarHBondContact O-N 3.37Å; A130-I133 PolarHBondContact O-N 3.47Å; I133-Y135 VanDerWaalsContact C-N 3.27Å; I133-Y135 PolarHBondContact O-N 3.32Å; I133-L136 PolarHBondContact O-N 3.27Å; I133-L136 VanDerWaalsContact O-N 3.12Å; I133-M137 HydrophobicContact CG2-CG 4.34Å; I133-M137 HydrophobicContact CG2-SD 4.04Å; I133-M137 VanDerWaalsContact O-CG 3.32Å; I133-M137 WeakPolarHBondContact O-CG 2.97Å; I133-M137 PolarHBondContact O-N 3.09Å; I133-Y144 HydrophobicContact CG2-CD2 3.97Å; I133-Y144 HydrophobicContact CG2-CE2 4.22Å; I133-A147 HydrophobicContact CG2-CB 3.87Å; I133-F148 HydrophobicContact CD1-CD2 3.82Å; I133-V151 HydrophobicContact CG1-CB 4.33Å; I133-V151 HydrophobicContact CG1-CG2 3.91Å; I133-I158 HydrophobicContact CD1-CD1 4.31Å; I133-P160 HydrophobicContact CD1-CG 3.74Å; I133-L168 HydrophobicContact CB-CD1 4.26Å; I133-L168 HydrophobicContact CB-CD2 4.28Å; I133-L168 HydrophobicContact CD1-CD1 4.38Å; I133-L168 HydrophobicContact CG2-CD1 4.03Å; I133-L168 HydrophobicContact CG2-CD2 4.06Å
134A98.7Very high97.6Very high1 Ų118.5 Ų18.51%0.00810%0.095CC..Hα-helixtrans-57.8-41.7176.500000112F100 A130 L131 M137 E138 L168 Y171F100-A134 HydrophobicContact CB-CB 4.01Å; F100-A134 HydrophobicContact CD1-CB 3.56Å; F100-A134 HydrophobicContact CD2-CB 3.59Å; F100-A134 HydrophobicContact CE1-CB 3.79Å; F100-A134 HydrophobicContact CE2-CB 3.83Å; F100-A134 HydrophobicContact CG-CB 3.45Å; F100-A134 VanDerWaalsContact CG-CB 3.45Å; F100-A134 HydrophobicContact CZ-CB 3.92Å; A130-A134 WeakPolarHBondContact O-CB 3.35Å; A130-A134 PolarHBondContact O-N 3.46Å; L131-A134 PolarHBondContact O-N 3.14Å; A134-M137 PolarHBondContact O-N 3.39Å; A134-E138 PolarHBondContact O-N 2.83Å; A134-L168 HydrophobicContact CB-CD2 3.64Å; A134-Y171 HydrophobicContact CB-CD1 4.13Å; A134-Y171 HydrophobicContact CB-CE1 4.18Å
135Y98.7Very high97.6Very high12 Ų1227.5 Ų27.55%0.04713%0.129CC..Hα-helixtrans-59.8-45.2175173.9-99.9000112L34 L37 K104 I107 D108 L111 L131 V132 I133 T139L34-Y135 HydrophobicContact CD1-CD1 4.45Å; L34-Y135 HydrophobicContact CD1-CE1 3.95Å; L37-Y135 HydrophobicContact CD2-CD1 3.51Å; L37-Y135 HydrophobicContact CD2-CE1 3.67Å; K104-Y135 HydrophobicContact CB-CD2 4.08Å; K104-Y135 HydrophobicContact CG-CD2 3.93Å; K104-Y135 HydrophobicContact CG-CE2 4.14Å; I107-Y135 HydrophobicContact CB-CD2 4.06Å; I107-Y135 HydrophobicContact CB-CE2 3.81Å; I107-Y135 HydrophobicContact CD1-CD1 4.46Å; I107-Y135 HydrophobicContact CD1-CD2 3.97Å; I107-Y135 HydrophobicContact CD1-CG 3.93Å; I107-Y135 HydrophobicContact CG2-CD1 4.32Å; I107-Y135 HydrophobicContact CG2-CD2 3.97Å; I107-Y135 HydrophobicContact CG2-CE1 3.87Å; I107-Y135 HydrophobicContact CG2-CE2 3.43Å; I107-Y135 VanDerWaalsContact CG2-CE2 3.43Å; I107-Y135 HydrophobicContact CG2-CG 4.38Å; D108-Y135 VanDerWaalsContact OD1-CE2 3.31Å; D108-Y135 WeakPolarHBondContact OD1-CE2 3.45Å; D108-Y135 PolarHBondContact OD1-OH 3.13Å; L111-Y135 WeakPolarHBondContact CD1-OH 3.41Å; L131-Y135 WeakPolarHBondContact O-CB 3.36Å; L131-Y135 PolarHBondContact O-N 3.12Å; V132-Y135 WeakPolarHBondContact O-CB 3.4Å; V132-Y135 PolarHBondContact O-N 3.08Å; I133-Y135 VanDerWaalsContact C-N 3.27Å; I133-Y135 PolarHBondContact O-N 3.32Å; Y135-T139 WeakPolarHBondContact CE2-OG1 3.41Å; Y135-T139 WeakPolarHBondContact O-CB 3.24Å; Y135-T139 PolarHBondContact O-N 2.72Å; Y135-T139 PolarHBondContact O-OG1 3.2Å
136L98.4Very high97.5Very high0 Ų028.8 Ų28.80%014%0.136CC..Hα-helixtrans-63.2-45.3176.3-91.373.4000111.5L12 I33 L34 L37 V132 I133 E138 T139 F140 A147 H150 V151L12-L136 HydrophobicContact CD2-CD2 3.98Å; L12-L136 HydrophobicContact CD2-CG 4.22Å; I33-L136 HydrophobicContact CG2-CD1 4.19Å; I33-L136 HydrophobicContact CG2-CD2 4.47Å; L34-L136 HydrophobicContact CD1-CD1 3.78Å; L34-L136 HydrophobicContact CD1-CG 4.09Å; L34-L136 HydrophobicContact CG-CD1 4.34Å; L37-L136 HydrophobicContact CD2-CD1 4.34Å; V132-L136 HydrophobicContact CG1-CD1 3.93Å; V132-L136 WeakPolarHBondContact O-CD1 3.34Å; V132-L136 PolarHBondContact O-N 3.16Å; I133-L136 PolarHBondContact O-N 3.27Å; I133-L136 VanDerWaalsContact O-N 3.12Å; L136-E138 PolarHBondContact O-N 2.97Å; L136-T139 PolarHBondContact O-N 2.69Å; L136-F140 HydrophobicContact CG-CD2 4.42Å; L136-F140 HydrophobicContact CG-CE2 4.49Å; L136-F140 WeakPolarHBondContact O-CB 3.18Å; L136-F140 WeakPolarHBondContact O-CD2 3.31Å; L136-F140 PolarHBondContact O-N 3.38Å; L136-A147 HydrophobicContact CB-CB 3.92Å; L136-H150 HydrophobicContact CD2-CB 4.07Å; L136-H150 VanDerWaalsContact CD2-CD2 3.44Å; L136-H150 WeakPolarHBondContact CD2-CD2 3.41Å; L136-V151 HydrophobicContact CD1-CG2 4.39Å; L136-V151 HydrophobicContact CD2-CG2 3.85Å
137M98.1Very high97.4Very high0 Ų028.4 Ų28.40%013%0.133CC..Hα-helixtrans-56-52.5179.4-69.5175.162.300111.5I133 A134 G141 V142 Y144 A147 L168 E172 Y175I133-M137 HydrophobicContact CG2-CG 4.34Å; I133-M137 HydrophobicContact CG2-SD 4.04Å; I133-M137 VanDerWaalsContact O-CG 3.32Å; I133-M137 WeakPolarHBondContact O-CG 2.97Å; I133-M137 PolarHBondContact O-N 3.09Å; A134-M137 PolarHBondContact O-N 3.39Å; M137-G141 VanDerWaalsContact O-CA 3.24Å; M137-G141 WeakPolarHBondContact O-CA 3.35Å; M137-G141 PolarHBondContact O-N 3.12Å; M137-V142 WeakPolarHBondContact CA-O 3.41Å; M137-V142 PolarHBondContact O-N 3.33Å; M137-Y144 HydrophobicContact SD-CD2 4.43Å; M137-A147 HydrophobicContact CG-CB 3.58Å; M137-L168 WeakPolarHBondContact CE-O 3.24Å; M137-L168 HydrophobicContact SD-CB 4.26Å; M137-L168 HydrophobicContact SD-CD2 4.11Å; M137-E172 HydrophobicContact CE-CB 4.36Å; M137-Y175 HydrophobicContact CB-CE1 4.13Å; M137-Y175 PolarHBondContact O-OH 2.99Å
138E96.9Very high97.4Very high28 Ų2829.5 Ų29.513%0.13114%0.139CC..Hα-helixtrans-73.5-32.2-176.8-176.3174.4-173.800113K104 A134 L136 Y171 Y175K104-E138 HydrophobicContact CD-CB 4.17Å; K104-E138 HydrophobicContact CD-CG 3.71Å; K104-E138 VanDerWaalsContact CD-OE2 3.24Å; K104-E138 WeakPolarHBondContact CD-OE2 3.48Å; A134-E138 PolarHBondContact O-N 2.83Å; L136-E138 PolarHBondContact O-N 2.97Å; E138-Y171 HydrophobicContact CB-CE1 4.03Å; E138-Y171 WeakPolarHBondContact OE2-CE1 3.48Å; E138-Y171 VanDerWaalsContact OE2-CZ 3.3Å; E138-Y171 PolarHBondContact OE2-OH 3.31Å; E138-Y175 HydrophobicContact CB-CD1 3.91Å; E138-Y175 HydrophobicContact CB-CD2 4.45Å; E138-Y175 HydrophobicContact CB-CE1 4.17Å; E138-Y175 HydrophobicContact CB-CG 4.06Å; E138-Y175 HydrophobicContact CG-CD1 4.17Å; E138-Y175 HydrophobicContact CG-CD2 4.13Å; E138-Y175 HydrophobicContact CG-CG 3.82Å
139T96.2Very high97.3Very high26 Ų2631.4 Ų31.416%0.1615%0.152CC..Hα-helixtrans-78.7-34.8-177-560000112.4P10 K104 Y135 L136P10-T139 WeakPolarHBondContact CD-O 3.36Å; P10-T139 WeakPolarHBondContact CG-O 3.43Å; K104-T139 PolarHBondContact NZ-OG1 3.38Å; Y135-T139 WeakPolarHBondContact CE2-OG1 3.41Å; Y135-T139 WeakPolarHBondContact O-CB 3.24Å; Y135-T139 PolarHBondContact O-N 2.72Å; Y135-T139 PolarHBondContact O-OG1 3.2Å; L136-T139 PolarHBondContact O-N 2.69Å
140F95.5Very high97.2Very high28 Ų2831.9 Ų31.912%0.12315%0.154CC..Hα-helixtrans-110.81-176.2-60.4-90.3000113.2F9 P10 S11 L12 L34 L136 V142F9-F140 VanDerWaalsContact CB-C 3.48Å; F9-F140 VanDerWaalsContact CB-O 3.26Å; F9-F140 WeakPolarHBondContact CB-O 3.31Å; P10-F140 HydrophobicContact CB-CD1 4.18Å; P10-F140 HydrophobicContact CB-CE1 4.34Å; P10-F140 HydrophobicContact CG-CD1 3.8Å; P10-F140 HydrophobicContact CG-CE1 4.09Å; P10-F140 WeakPolarHBondContact O-CD1 3.16Å; S11-F140 WeakPolarHBondContact O-CD1 3.43Å; S11-F140 WeakPolarHBondContact O-CE1 3.16Å; L12-F140 HydrophobicContact CD2-CB 3.93Å; L12-F140 HydrophobicContact CD2-CD1 3.93Å; L12-F140 HydrophobicContact CD2-CD2 3.56Å; L12-F140 HydrophobicContact CD2-CE1 4.35Å; L12-F140 HydrophobicContact CD2-CE2 4.03Å; L12-F140 HydrophobicContact CD2-CG 3.52Å; L12-F140 HydrophobicContact CD2-CZ 4.39Å; L12-F140 HydrophobicContact CG-CB 4.05Å; L12-F140 HydrophobicContact CG-CD1 4.3Å; L12-F140 HydrophobicContact CG-CG 4.06Å; L34-F140 HydrophobicContact CD1-CE2 3.53Å; L34-F140 HydrophobicContact CD1-CZ 3.86Å; L34-F140 HydrophobicContact CD2-CE2 4.34Å; L34-F140 HydrophobicContact CD2-CZ 4.17Å; L136-F140 HydrophobicContact CG-CD2 4.42Å; L136-F140 HydrophobicContact CG-CE2 4.49Å; L136-F140 WeakPolarHBondContact O-CB 3.18Å; L136-F140 WeakPolarHBondContact O-CD2 3.31Å; L136-F140 PolarHBondContact O-N 3.38Å; F140-V142 HydrophobicContact CB-CG1 4.11Å; F140-V142 HydrophobicContact CB-CG2 4.29Å; F140-V142 PolarHBondContact O-N 3.43Å
141G94.6Very high97.1Very high27 Ų2731.9 Ų31.928%0.27815%0.154SC..THydrogen-bonded Turntrans60.332.1179.200000113.3F9 M137F9-G141 VanDerWaalsContact CD1-N 3.32Å; F9-G141 VanDerWaalsContact CG-CA 3.48Å; M137-G141 VanDerWaalsContact O-CA 3.24Å; M137-G141 WeakPolarHBondContact O-CA 3.35Å; M137-G141 PolarHBondContact O-N 3.12Å
142V94.4Very high97Very high25 Ų2534.7 Ų34.715%0.15217%0.167CC..  trans-101.1153-177.8-65.10000111L12 M137 F140 D146 A147L12-V142 HydrophobicContact CD1-CB 4.45Å; L12-V142 HydrophobicContact CD1-CG1 3.94Å; L12-V142 HydrophobicContact CD1-CG2 4.1Å; L12-V142 HydrophobicContact CG-CG1 4.12Å; M137-V142 WeakPolarHBondContact CA-O 3.41Å; M137-V142 PolarHBondContact O-N 3.33Å; F140-V142 HydrophobicContact CB-CG1 4.11Å; F140-V142 HydrophobicContact CB-CG2 4.29Å; F140-V142 PolarHBondContact O-N 3.43Å; V142-D146 HydrophobicContact CB-CB 4.2Å; V142-A147 HydrophobicContact CG2-CB 3.93Å
143K95.4Very high96.7Very high128 Ų12839.9 Ų39.956%0.55719%0.191SC*.  trans-70160.4176.9-65.5-172.5177.3-176.70110.9R145 D146 A147K143-R145 PolarHBondContact O-N 3.42Å; K143-R145 VanDerWaalsContact O-N 3.15Å; K143-D146 PolarHBondContact O-N 3.44Å; K143-D146 VanDerWaalsContact O-N 3.12Å; K143-A147 PolarHBondContact O-N 3.36Å; K143-A147 VanDerWaalsContact O-N 3.09Å
144Y97.1Very high96.5Very high38 Ų3841.4 Ų41.415%0.14920%0.197CC..Hα-helixtrans-47.4-45.6175.9165.2-103.9000112.8I133 M137 D146 A147 F148 V165 L168 Q169I133-Y144 HydrophobicContact CG2-CD2 3.97Å; I133-Y144 HydrophobicContact CG2-CE2 4.22Å; M137-Y144 HydrophobicContact SD-CD2 4.43Å; Y144-D146 PolarHBondContact O-N 3.03Å; Y144-A147 PolarHBondContact O-N 3.27Å; Y144-F148 HydrophobicContact CD2-CB 4.47Å; Y144-F148 HydrophobicContact CE1-CB 4.45Å; Y144-F148 HydrophobicContact CE2-CB 4.03Å; Y144-F148 HydrophobicContact CE2-CD2 4.12Å; Y144-F148 HydrophobicContact CE2-CG 4.42Å; Y144-F148 AromaticContact CZ-CD2 3.86Å; Y144-F148 WeakPolarHBondContact O-CB 3.26Å; Y144-F148 PolarHBondContact O-N 3.08Å; Y144-F148 VanDerWaalsContact OH-CD2 3.27Å; Y144-F148 WeakPolarHBondContact OH-CD2 3.12Å; Y144-V165 HydrophobicContact CE1-CG1 3.85Å; Y144-V165 HydrophobicContact CE2-CG1 4.4Å; Y144-V165 WeakPolarHBondContact OH-CG2 3.43Å; Y144-L168 HydrophobicContact CD2-CB 3.69Å; Y144-L168 HydrophobicContact CD2-CD1 3.93Å; Y144-L168 HydrophobicContact CD2-CG 4.39Å; Y144-L168 HydrophobicContact CE2-CB 4.18Å; Y144-L168 HydrophobicContact CE2-CD1 3.67Å; Y144-Q169 HydrophobicContact CD1-CG 4.13Å; Y144-Q169 HydrophobicContact CG-CG 4.15Å
145R96.5Very high96.3Very high190 Ų19041.3 Ų41.372%0.71720%0.197SC*.Hα-helixtrans-58.2-48-177.8-178.5-176.9172.5-174.2-3.2111.9K143 F148 S149K143-R145 PolarHBondContact O-N 3.42Å; K143-R145 VanDerWaalsContact O-N 3.15Å; R145-F148 PolarHBondContact O-N 2.98Å; R145-S149 WeakPolarHBondContact O-CB 3.48Å; R145-S149 PolarHBondContact O-N 3.31Å; R145-S149 PolarHBondContact O-OG 3.43Å
146D96.3Very high96.1Very high79 Ų7946.3 Ų46.342%0.42222%0.219SC..Hα-helixtrans-71.4-42-175.2-53.6-40.7000110.7V142 K143 Y144 S149 H150V142-D146 HydrophobicContact CB-CB 4.2Å; K143-D146 PolarHBondContact O-N 3.44Å; K143-D146 VanDerWaalsContact O-N 3.12Å; Y144-D146 PolarHBondContact O-N 3.03Å; D146-S149 PolarHBondContact O-N 2.86Å; D146-H150 WeakPolarHBondContact O-CB 3.46Å; D146-H150 PolarHBondContact O-N 3.35Å
147A98Very high96Very high0 Ų047.4 Ų47.40%023%0.226CC..Hα-helixtrans-61.3-46.3172.900000111.8I133 L136 M137 V142 K143 Y144 H150 V151I133-A147 HydrophobicContact CG2-CB 3.87Å; L136-A147 HydrophobicContact CB-CB 3.92Å; M137-A147 HydrophobicContact CG-CB 3.58Å; V142-A147 HydrophobicContact CG2-CB 3.93Å; K143-A147 PolarHBondContact O-N 3.36Å; K143-A147 VanDerWaalsContact O-N 3.09Å; Y144-A147 PolarHBondContact O-N 3.27Å; A147-H150 PolarHBondContact O-N 2.98Å; A147-V151 WeakPolarHBondContact O-CG2 3.43Å; A147-V151 PolarHBondContact O-N 3.44Å; A147-V151 VanDerWaalsContact O-N 3.08Å
148F98.1Very high96Very high34 Ų3447.6 Ų47.615%0.14923%0.227CC..Hα-helixtrans-59.3-49.6177.7177.7-87000111.2I133 Y144 R145 H150 V151 Q152 I158I133-F148 HydrophobicContact CD1-CD2 3.82Å; Y144-F148 HydrophobicContact CD2-CB 4.47Å; Y144-F148 HydrophobicContact CE1-CB 4.45Å; Y144-F148 HydrophobicContact CE2-CB 4.03Å; Y144-F148 HydrophobicContact CE2-CD2 4.12Å; Y144-F148 HydrophobicContact CE2-CG 4.42Å; Y144-F148 AromaticContact CZ-CD2 3.86Å; Y144-F148 WeakPolarHBondContact O-CB 3.26Å; Y144-F148 PolarHBondContact O-N 3.08Å; Y144-F148 VanDerWaalsContact OH-CD2 3.27Å; Y144-F148 WeakPolarHBondContact OH-CD2 3.12Å; R145-F148 PolarHBondContact O-N 2.98Å; F148-H150 VanDerWaalsContact C-N 3.34Å; F148-H150 PolarHBondContact O-N 3.21Å; F148-V151 PolarHBondContact O-N 2.8Å; F148-Q152 HydrophobicContact CD1-CB 4.48Å; F148-Q152 HydrophobicContact CE1-CB 4.19Å; F148-Q152 HydrophobicContact CE1-CG 4.41Å; F148-Q152 VanDerWaalsContact O-CB 3.31Å; F148-Q152 WeakPolarHBondContact O-CB 2.99Å; F148-Q152 PolarHBondContact O-N 3.44Å; F148-I158 HydrophobicContact CD2-CD1 4.1Å; F148-I158 HydrophobicContact CE2-CD1 3.94Å; F148-I158 HydrophobicContact CE2-CG1 4.12Å; F148-I158 HydrophobicContact CZ-CD1 4.35Å; F148-I158 HydrophobicContact CZ-CG1 4.27Å
149S96.8Very high96.1Very high41 Ų4151.7 Ų51.729%0.28725%0.25SS..Hα-helixtrans-58.1-45.9177.8-73.20000111.7R145 D146 V151 Q152 E153R145-S149 WeakPolarHBondContact O-CB 3.48Å; R145-S149 PolarHBondContact O-N 3.31Å; R145-S149 PolarHBondContact O-OG 3.43Å; D146-S149 PolarHBondContact O-N 2.86Å; S149-V151 VanDerWaalsContact C-N 3.35Å; S149-V151 PolarHBondContact O-N 3.29Å; S149-Q152 PolarHBondContact O-N 2.98Å; S149-Q152 VanDerWaalsContact O-N 3.16Å; S149-E153 VanDerWaalsContact O-CG 3.29Å; S149-E153 WeakPolarHBondContact O-CG 3.47Å; S149-E153 PolarHBondContact O-N 3.12Å
150H96.4Very high96.2Very high11 Ų1150.7 Ų50.75%0.05124%0.244CC..Hα-helixtrans-59.2-42.7178.3-176.3105.6000113L12 P13 I33 L34 L136 D146 A147 F148 R154L12-H150 HydrophobicContact CD1-CB 4.24Å; P13-H150 PolarHBondContact O-CE1 2.95Å; P13-H150 VanDerWaalsContact O-CE1 3.27Å; I33-H150 PolarHBondContact O-NE2 3.47Å; I33-H150 VanDerWaalsContact O-NE2 3.08Å; L34-H150 WeakPolarHBondContact CD2-NE2 3.2Å; L136-H150 HydrophobicContact CD2-CB 4.07Å; L136-H150 VanDerWaalsContact CD2-CD2 3.44Å; L136-H150 WeakPolarHBondContact CD2-CD2 3.41Å; D146-H150 WeakPolarHBondContact O-CB 3.46Å; D146-H150 PolarHBondContact O-N 3.35Å; A147-H150 PolarHBondContact O-N 2.98Å; F148-H150 VanDerWaalsContact C-N 3.34Å; F148-H150 PolarHBondContact O-N 3.21Å; H150-R154 PolarHBondContact CD2-NH1 3.17Å; H150-R154 PolarHBondContact CE1-NH1 3.43Å; H150-R154 VanDerWaalsContact CE1-NH1 3.33Å; H150-R154 PolarHBondContact CE1-NH2 3.15Å; H150-R154 PolarHBondContact ND1-NH1 2.93Å; H150-R154 PolarHBondContact NE2-NH1 2.92Å; H150-R154 PolarHBondContact O-NH1 3.31Å
151V97.4Very high96.4Very high0 Ų050.6 Ų50.60%025%0.245CC..Hα-helixtrans-70.3-41176.5-174.40000110.5I33 L39 V132 I133 L136 A147 F148 S149 R154 R155 I158I33-V151 HydrophobicContact CD1-CG1 4.02Å; I33-V151 HydrophobicContact CG1-CG1 4.43Å; I33-V151 HydrophobicContact CG2-CB 4.4Å; I33-V151 HydrophobicContact CG2-CG1 4.32Å; I33-V151 HydrophobicContact CG2-CG2 3.86Å; L39-V151 HydrophobicContact CD2-CG1 3.71Å; V132-V151 HydrophobicContact CG1-CG1 4.4Å; V132-V151 HydrophobicContact CG1-CG2 4.03Å; I133-V151 HydrophobicContact CG1-CB 4.33Å; I133-V151 HydrophobicContact CG1-CG2 3.91Å; L136-V151 HydrophobicContact CD1-CG2 4.39Å; L136-V151 HydrophobicContact CD2-CG2 3.85Å; A147-V151 WeakPolarHBondContact O-CG2 3.43Å; A147-V151 PolarHBondContact O-N 3.44Å; A147-V151 VanDerWaalsContact O-N 3.08Å; F148-V151 PolarHBondContact O-N 2.8Å; S149-V151 VanDerWaalsContact C-N 3.35Å; S149-V151 PolarHBondContact O-N 3.29Å; V151-R154 PolarHBondContact O-N 3.19Å; V151-R155 PolarHBondContact O-N 3.33Å; V151-I158 HydrophobicContact CB-CD1 3.71Å; V151-I158 HydrophobicContact CG1-CD1 3.68Å; V151-I158 HydrophobicContact CG1-CG2 4.1Å
152Q96.1Very high96.5Very high61 Ų6154 Ų5429%0.28526%0.26SS..Hα-helixtrans-65.3-40.2-177.8-172.1174.556.400112.1F148 S149 R154 R155 F156 I158F148-Q152 HydrophobicContact CD1-CB 4.48Å; F148-Q152 HydrophobicContact CE1-CB 4.19Å; F148-Q152 HydrophobicContact CE1-CG 4.41Å; F148-Q152 VanDerWaalsContact O-CB 3.31Å; F148-Q152 WeakPolarHBondContact O-CB 2.99Å; F148-Q152 PolarHBondContact O-N 3.44Å; S149-Q152 PolarHBondContact O-N 2.98Å; S149-Q152 VanDerWaalsContact O-N 3.16Å; Q152-R154 PolarHBondContact O-N 2.59Å; Q152-R155 CarbonylContact O-C 3.45Å; Q152-R155 PolarHBondContact O-N 3.45Å; Q152-F156 WeakPolarHBondContact O-CA 3.41Å; Q152-F156 PolarHBondContact O-N 3.01Å; Q152-I158 HydrophobicContact CB-CD1 3.81Å; Q152-I158 HydrophobicContact CB-CG1 3.97Å; Q152-I158 HydrophobicContact CG-CG1 4.22Å
153E93.4Very high96.7Very high108 Ų10853.1 Ų53.151%0.50526%0.256SS..Hα-helixtrans-58-30.5175.5-74.5167.8-168.900112.4C15 S149C15-E153 WeakPolarHBondContact CB-OE2 3.27Å; C15-E153 PolarHBondContact SG-OE2 3.09Å; S149-E153 VanDerWaalsContact O-CG 3.29Å; S149-E153 WeakPolarHBondContact O-CG 3.47Å; S149-E153 PolarHBondContact O-N 3.12Å
154R93.5Very high96.9Very high32 Ų3247 Ų4712%0.12123%0.23CC..Hα-helixtrans-94.5-27.8179.8-67.6168.717969.4-2.7113P14 Q31 E32 I33 H150 V151 Q152P14-R154 PolarHBondContact O-NH2 3.24Å; P14-R154 VanDerWaalsContact O-NH2 3.13Å; Q31-R154 WeakPolarHBondContact CB-O 3.4Å; Q31-R154 WeakPolarHBondContact CG-O 3.5Å; E32-R154 WeakPolarHBondContact O-CD 3.25Å; I33-R154 HydrophobicContact CD1-CB 3.78Å; I33-R154 WeakPolarHBondContact O-CD 3.29Å; I33-R154 PolarHBondContact O-NE 3.01Å; I33-R154 VanDerWaalsContact O-NE 3.12Å; H150-R154 PolarHBondContact CD2-NH1 3.17Å; H150-R154 PolarHBondContact CE1-NH1 3.43Å; H150-R154 VanDerWaalsContact CE1-NH1 3.33Å; H150-R154 PolarHBondContact CE1-NH2 3.15Å; H150-R154 PolarHBondContact ND1-NH1 2.93Å; H150-R154 PolarHBondContact NE2-NH1 2.92Å; H150-R154 PolarHBondContact O-NH1 3.31Å; V151-R154 PolarHBondContact O-N 3.19Å; Q152-R154 PolarHBondContact O-N 2.59Å
155R95Very high97Very high0 Ų046.5 Ų46.50%023%0.23CC..SBendtrans-138.787.1174.1-174.8174.8176.280.21.7109.8R27 E29 I33 A123 G124 V151 Q152 C157 I158R27-R155 PolarHBondContact O-NH2 3.16Å; E29-R155 PolarHBondContact O-NH1 3.01Å; I33-R155 HydrophobicContact CD1-CB 4.3Å; A123-R155 PolarHBondContact O-NH2 3.3Å; G124-R155 PolarHBondContact O-NE 3.33Å; V151-R155 PolarHBondContact O-N 3.33Å; Q152-R155 CarbonylContact O-C 3.45Å; Q152-R155 PolarHBondContact O-N 3.45Å; R155-C157 PolarHBondContact O-N 2.95Å; R155-I158 HydrophobicContact CB-CG2 4.15Å; R155-I158 HydrophobicContact CG-CG2 4.03Å; R155-I158 WeakPolarHBondContact O-CG2 3.37Å; R155-I158 PolarHBondContact O-N 3.1Å; R155-I158 VanDerWaalsContact O-N 3.17Å
156F94.9Very high97Very high116 Ų11642.6 Ų42.651%0.50922%0.22SC..THydrogen-bonded Turntrans-54.3-30.9-173.1-172.8-103.3000114.9W22 Q152 I158W22-F156 HydrophobicContact CD2-CB 3.87Å; W22-F156 HydrophobicContact CD2-CD1 4.09Å; W22-F156 HydrophobicContact CD2-CG 4.23Å; W22-F156 HydrophobicContact CE3-CD1 4.07Å; W22-F156 HydrophobicContact CG-CB 3.8Å; W22-F156 HydrophobicContact CG-CG 4.44Å; W22-F156 HydrophobicContact CH2-CD1 4.06Å; W22-F156 HydrophobicContact CZ2-CB 4.38Å; W22-F156 HydrophobicContact CZ2-CD1 4.13Å; W22-F156 HydrophobicContact CZ3-CD1 4.06Å; Q152-F156 WeakPolarHBondContact O-CA 3.41Å; Q152-F156 PolarHBondContact O-N 3.01Å; F156-I158 VanDerWaalsContact C-N 3.3Å; F156-I158 PolarHBondContact O-N 2.94Å
157C96Very high97.1Very high24 Ų2439.9 Ų39.916%0.16221%0.205CC..THydrogen-bonded Turntrans-82.14.5-174.964.90000115.3W22 R27 I125 R155W22-C157 HydrophobicContact CZ2-CB 4.41Å; R27-C157 HydrophobicContact CB-CB 4.48Å; I125-C157 WeakPolarHBondContact CG2-O 3.28Å; R155-C157 PolarHBondContact O-N 2.95Å
158I98.3Very high97.1Very high4 Ų439.9 Ų39.92%0.02121%0.205CC..  trans-61.7140.7174.166.5172.4000110.7L39 A129 I133 F148 V151 Q152 R155 F156L39-I158 HydrophobicContact CD2-CG2 3.79Å; A129-I158 HydrophobicContact CB-CB 3.98Å; A129-I158 HydrophobicContact CB-CG2 3.75Å; I133-I158 HydrophobicContact CD1-CD1 4.31Å; F148-I158 HydrophobicContact CD2-CD1 4.1Å; F148-I158 HydrophobicContact CE2-CD1 3.94Å; F148-I158 HydrophobicContact CE2-CG1 4.12Å; F148-I158 HydrophobicContact CZ-CD1 4.35Å; F148-I158 HydrophobicContact CZ-CG1 4.27Å; V151-I158 HydrophobicContact CB-CD1 3.71Å; V151-I158 HydrophobicContact CG1-CD1 3.68Å; V151-I158 HydrophobicContact CG1-CG2 4.1Å; Q152-I158 HydrophobicContact CB-CD1 3.81Å; Q152-I158 HydrophobicContact CB-CG1 3.97Å; Q152-I158 HydrophobicContact CG-CG1 4.22Å; R155-I158 HydrophobicContact CB-CG2 4.15Å; R155-I158 HydrophobicContact CG-CG2 4.03Å; R155-I158 WeakPolarHBondContact O-CG2 3.37Å; R155-I158 PolarHBondContact O-N 3.1Å; R155-I158 VanDerWaalsContact O-N 3.17Å; F156-I158 VanDerWaalsContact C-N 3.3Å; F156-I158 PolarHBondContact O-N 2.94Å
159N98.3Very high97.1Very high113 Ų11343.2 Ų43.260%0.60422%0.221SC*.  trans-162.176.7176.6-168.630.5000109I125 S126I125-N159 HydrophobicContact CG2-CB 3.8Å; I125-N159 CarbonylContact O-C 3.56Å; I125-N159 PolarHBondContact O-N 2.92Å; S126-N159 WeakPolarHBondContact CB-O 3.41Å
160P98.5Very high97Very high5 Ų546.9 Ų46.93%0.03223%0.234CC..  trans-51.2140.3169.8-23.335.1000111A129 A130 I133 F164 V165A129-P160 HydrophobicContact CB-CG 4.41Å; A130-P160 HydrophobicContact CB-CB 4.33Å; I133-P160 HydrophobicContact CD1-CG 3.74Å; P160-F164 HydrophobicContact CB-CB 4.2Å; P160-V165 HydrophobicContact CB-CG2 4.12Å
161N98.6Very high96.9Very high27 Ų2746.5 Ų46.514%0.14423%0.232CC..  trans-63.8158.7174.576.658.9000111D90 N91 P92 S126 G163 F164 V165D90-N161 PolarHBondContact OD1-ND2 2.86Å; D90-N161 VanDerWaalsContact OD1-ND2 3.12Å; N91-N161 PolarHBondContact O-ND2 3.16Å; P92-N161 WeakPolarHBondContact CA-OD1 3.47Å; S126-N161 PolarHBondContact OG-N 3.48Å; S126-N161 VanDerWaalsContact OG-N 3.09Å; N161-G163 VanDerWaalsContact C-N 3.25Å; N161-G163 PolarHBondContact O-N 2.75Å; N161-G163 PolarHBondContact OD1-N 3.49Å; N161-F164 WeakPolarHBondContact ND2-CD2 3.17Å; N161-F164 WeakPolarHBondContact ND2-CE2 3.33Å; N161-F164 WeakPolarHBondContact ND2-CG 3.3Å; N161-F164 VanDerWaalsContact ND2-CZ 3.26Å; N161-F164 WeakPolarHBondContact ND2-CZ 3.43Å; N161-F164 WeakPolarHBondContact O-CB 3.44Å; N161-F164 PolarHBondContact O-N 3.1Å; N161-F164 PolarHBondContact OD1-N 2.84Å; N161-V165 PolarHBondContact O-N 2.81Å
162V98.4Very high96.6Very high97 Ų9749.5 Ų49.559%0.58825%0.246SC*.Hα-helixtrans-57.4-34.6-173.6-62.70000113.9P92 V165 H166P92-V162 HydrophobicContact CB-CG2 4.07Å; P92-V162 HydrophobicContact CG-CG2 4.09Å; V162-V165 PolarHBondContact O-N 3.19Å; V162-H166 PolarHBondContact O-CD2 3.08Å; V162-H166 PolarHBondContact O-N 3.37Å
163G98.6Very high96.2Very high8 Ų850 Ų508%0.08226%0.261CS..Hα-helixtrans-70-35.1177.500000112.9P92 N161 Q167P92-G163 VanDerWaalsContact O-CA 3.31Å; P92-G163 WeakPolarHBondContact O-CA 2.93Å; N161-G163 VanDerWaalsContact C-N 3.25Å; N161-G163 PolarHBondContact O-N 2.75Å; N161-G163 PolarHBondContact OD1-N 3.49Å; G163-Q167 WeakPolarHBondContact O-CG 3.29Å; G163-Q167 PolarHBondContact O-N 3.07Å; G163-Q167 VanDerWaalsContact O-N 3.11Å; G163-Q167 PolarHBondContact O-NE2 2.75Å
164F98.6Very high96Very high0 Ų048.2 Ų48.20%025%0.253CS..Hα-helixtrans-69.7-37.3171.8-62.7-12.7000111.8I88 A89 E94 I96 S126 R127 A130 P160 N161 Q167 L168I88-F164 HydrophobicContact CG2-CZ 4.13Å; A89-F164 WeakPolarHBondContact O-CZ 3.27Å; E94-F164 HydrophobicContact CB-CE1 3.95Å; E94-F164 HydrophobicContact CB-CZ 4.36Å; E94-F164 HydrophobicContact CG-CE1 4.27Å; E94-F164 HydrophobicContact CG-CZ 4.49Å; I96-F164 HydrophobicContact CB-CD1 3.8Å; I96-F164 HydrophobicContact CB-CE1 3.65Å; I96-F164 HydrophobicContact CB-CG 4.5Å; I96-F164 HydrophobicContact CB-CZ 4.26Å; I96-F164 HydrophobicContact CD1-CD1 4.24Å; I96-F164 HydrophobicContact CD1-CD2 4.01Å; I96-F164 HydrophobicContact CD1-CE1 4.08Å; I96-F164 HydrophobicContact CD1-CE2 3.87Å; I96-F164 HydrophobicContact CD1-CG 4.19Å; I96-F164 HydrophobicContact CD1-CZ 3.89Å; I96-F164 HydrophobicContact CG1-CE1 4.42Å; I96-F164 HydrophobicContact CG2-CB 4.26Å; I96-F164 HydrophobicContact CG2-CD1 3.33Å; I96-F164 HydrophobicContact CG2-CE1 3.76Å; I96-F164 HydrophobicContact CG2-CG 3.88Å; S126-F164 WeakPolarHBondContact OG-CD2 3.49Å; R127-F164 HydrophobicContact CB-CE2 4.18Å; R127-F164 HydrophobicContact CG-CE2 3.54Å; R127-F164 HydrophobicContact CG-CZ 3.93Å; A130-F164 HydrophobicContact CB-CB 4.08Å; A130-F164 HydrophobicContact CB-CD2 4.08Å; A130-F164 HydrophobicContact CB-CG 4.35Å; P160-F164 HydrophobicContact CB-CB 4.2Å; N161-F164 WeakPolarHBondContact ND2-CD2 3.17Å; N161-F164 WeakPolarHBondContact ND2-CE2 3.33Å; N161-F164 WeakPolarHBondContact ND2-CG 3.3Å; N161-F164 VanDerWaalsContact ND2-CZ 3.26Å; N161-F164 WeakPolarHBondContact ND2-CZ 3.43Å; N161-F164 WeakPolarHBondContact O-CB 3.44Å; N161-F164 PolarHBondContact O-N 3.1Å; N161-F164 PolarHBondContact OD1-N 2.84Å; F164-Q167 PolarHBondContact O-N 2.93Å; F164-L168 WeakPolarHBondContact O-CB 3.31Å; F164-L168 VanDerWaalsContact O-CG 3.23Å; F164-L168 WeakPolarHBondContact O-CG 3.48Å; F164-L168 PolarHBondContact O-N 3.46Å
165V98.5Very high95.6Very high26 Ų2646.8 Ų46.816%0.15825%0.248CC..Hα-helixtrans-59.7-46.4174.61750000110.8Y144 P160 N161 V162 Q167 L168 Q169Y144-V165 HydrophobicContact CE1-CG1 3.85Å; Y144-V165 HydrophobicContact CE2-CG1 4.4Å; Y144-V165 WeakPolarHBondContact OH-CG2 3.43Å; P160-V165 HydrophobicContact CB-CG2 4.12Å; N161-V165 PolarHBondContact O-N 2.81Å; V162-V165 PolarHBondContact O-N 3.19Å; V165-Q167 PolarHBondContact O-N 3.33Å; V165-L168 PolarHBondContact O-N 2.84Å; V165-Q169 WeakPolarHBondContact O-CG 3.4Å; V165-Q169 PolarHBondContact O-N 2.83Å
166H98.2Very high95.2Very high109 Ų10948.3 Ų48.351%0.50526%0.259SS..Hα-helixtrans-60.8-46.7176.3-63.8172.4000111.7V162 L168 Q169 E170V162-H166 PolarHBondContact O-CD2 3.08Å; V162-H166 PolarHBondContact O-N 3.37Å; H166-L168 VanDerWaalsContact C-N 3.3Å; H166-L168 PolarHBondContact O-N 3.01Å; H166-Q169 WeakPolarHBondContact O-CB 3.12Å; H166-Q169 PolarHBondContact O-N 3.26Å; H166-Q169 VanDerWaalsContact O-N 3.13Å; H166-E170 WeakPolarHBondContact O-CG 3.41Å; H166-E170 PolarHBondContact O-N 2.92Å
167Q98.4Very high94.8Very high22 Ų2245.2 Ų45.210%0.10326%0.255CS..Hα-helixtrans-62.3-34.3177.3-78.2175.275.800113.3E94 I96 I97 G163 F164 V165 E170 Y171E94-Q167 PolarHBondContact O-NE2 3.04Å; I96-Q167 HydrophobicContact CG2-CB 4.29Å; I97-Q167 HydrophobicContact CB-CB 4.19Å; I97-Q167 HydrophobicContact CB-CG 4.36Å; I97-Q167 WeakPolarHBondContact CD1-O 3.49Å; G163-Q167 WeakPolarHBondContact O-CG 3.29Å; G163-Q167 PolarHBondContact O-N 3.07Å; G163-Q167 VanDerWaalsContact O-N 3.11Å; G163-Q167 PolarHBondContact O-NE2 2.75Å; F164-Q167 PolarHBondContact O-N 2.93Å; V165-Q167 PolarHBondContact O-N 3.33Å; Q167-E170 PolarHBondContact O-N 3.05Å; Q167-Y171 WeakPolarHBondContact O-CB 3.48Å; Q167-Y171 PolarHBondContact O-N 2.89Å
168L98.3Very high94.3Very high0 Ų048.6 Ų48.60%027%0.267CS..Hα-helixtrans-65.8-43.3173.4-74.8164.8000111.4F100 A130 I133 A134 M137 Y144 F164 V165 H166 E170 Y171F100-L168 HydrophobicContact CE1-CD2 4.47Å; F100-L168 HydrophobicContact CE2-CD2 3.91Å; F100-L168 HydrophobicContact CE2-CG 4.48Å; F100-L168 HydrophobicContact CZ-CD2 3.69Å; F100-L168 HydrophobicContact CZ-CG 4.14Å; A130-L168 HydrophobicContact CB-CD1 4.15Å; A130-L168 WeakPolarHBondContact O-CD2 3.46Å; I133-L168 HydrophobicContact CB-CD1 4.26Å; I133-L168 HydrophobicContact CB-CD2 4.28Å; I133-L168 HydrophobicContact CD1-CD1 4.38Å; I133-L168 HydrophobicContact CG2-CD1 4.03Å; I133-L168 HydrophobicContact CG2-CD2 4.06Å; A134-L168 HydrophobicContact CB-CD2 3.64Å; M137-L168 WeakPolarHBondContact CE-O 3.24Å; M137-L168 HydrophobicContact SD-CB 4.26Å; M137-L168 HydrophobicContact SD-CD2 4.11Å; Y144-L168 HydrophobicContact CD2-CB 3.69Å; Y144-L168 HydrophobicContact CD2-CD1 3.93Å; Y144-L168 HydrophobicContact CD2-CG 4.39Å; Y144-L168 HydrophobicContact CE2-CB 4.18Å; Y144-L168 HydrophobicContact CE2-CD1 3.67Å; F164-L168 WeakPolarHBondContact O-CB 3.31Å; F164-L168 VanDerWaalsContact O-CG 3.23Å; F164-L168 WeakPolarHBondContact O-CG 3.48Å; F164-L168 PolarHBondContact O-N 3.46Å; V165-L168 PolarHBondContact O-N 2.84Å; H166-L168 VanDerWaalsContact C-N 3.3Å; H166-L168 PolarHBondContact O-N 3.01Å; L168-E170 VanDerWaalsContact C-N 3.29Å; L168-E170 PolarHBondContact O-N 3.17Å; L168-Y171 WeakPolarHBondContact O-CB 3.34Å; L168-Y171 PolarHBondContact O-N 2.98Å; L168-Y171 VanDerWaalsContact O-N 3.16Å
169Q96.4Very high93.6Very high104 Ų10450.3 Ų50.349%0.48628%0.276SS..Hα-helixtrans-63.3-36.3176.9-68.7169.8-25.200112Y144 V165 H166 Y171Y144-Q169 HydrophobicContact CD1-CG 4.13Å; Y144-Q169 HydrophobicContact CG-CG 4.15Å; V165-Q169 WeakPolarHBondContact O-CG 3.4Å; V165-Q169 PolarHBondContact O-N 2.83Å; H166-Q169 WeakPolarHBondContact O-CB 3.12Å; H166-Q169 PolarHBondContact O-N 3.26Å; H166-Q169 VanDerWaalsContact O-N 3.13Å; Q169-Y171 VanDerWaalsContact C-N 3.33Å
170E95.4Very high93Very high118 Ų11848.6 Ų48.655%0.55127%0.27SS*.Hα-helixtrans-72.5-25.1175.2-69.3171.6174.700113.1I97 H166 Q167 L168 E172 A173I97-E170 HydrophobicContact CD1-CB 4.48Å; H166-E170 WeakPolarHBondContact O-CG 3.41Å; H166-E170 PolarHBondContact O-N 2.92Å; Q167-E170 PolarHBondContact O-N 3.05Å; L168-E170 VanDerWaalsContact C-N 3.29Å; L168-E170 PolarHBondContact O-N 3.17Å; E170-E172 VanDerWaalsContact C-N 3.29Å; E170-E172 PolarHBondContact O-N 3.17Å; E170-A173 PolarHBondContact O-N 3.18Å
171Y94.6Very high92.3Very high2 Ų254 Ų541%0.00830%0.297CS..Hα-helixtrans-64.3-31.4-173.6-168-131.1000113.8I97 F100 A134 E138 Q167 L168 Q169 A173 I174 Y175I97-Y171 HydrophobicContact CD1-CD2 4.02Å; I97-Y171 HydrophobicContact CG1-CD2 3.75Å; I97-Y171 HydrophobicContact CG1-CE2 4.4Å; I97-Y171 HydrophobicContact CG1-CG 4.45Å; F100-Y171 HydrophobicContact CB-CD1 4.46Å; F100-Y171 HydrophobicContact CB-CD2 4.5Å; F100-Y171 HydrophobicContact CB-CE1 3.8Å; F100-Y171 HydrophobicContact CB-CE2 3.81Å; F100-Y171 VanDerWaalsContact CB-CZ 3.43Å; F100-Y171 WeakPolarHBondContact CB-OH 3.24Å; F100-Y171 AromaticContact CD2-CD1 3.64Å; F100-Y171 HydrophobicContact CD2-CD1 3.64Å; F100-Y171 AromaticContact CD2-CD2 3.59Å; F100-Y171 HydrophobicContact CD2-CD2 3.59Å; F100-Y171 AromaticContact CD2-CE1 3.86Å; F100-Y171 HydrophobicContact CD2-CE1 3.86Å; F100-Y171 AromaticContact CD2-CE2 3.77Å; F100-Y171 HydrophobicContact CD2-CE2 3.77Å; F100-Y171 AromaticContact CD2-CG 3.52Å; F100-Y171 HydrophobicContact CD2-CG 3.52Å; F100-Y171 AromaticContact CD2-CZ 3.92Å; F100-Y171 HydrophobicContact CE2-CD1 4.29Å; F100-Y171 HydrophobicContact CE2-CD2 4.34Å; F100-Y171 HydrophobicContact CE2-CG 4.02Å; F100-Y171 HydrophobicContact CG-CD1 4.45Å; F100-Y171 HydrophobicContact CG-CE1 4.25Å; F100-Y171 HydrophobicContact CG-CE2 4.32Å; A134-Y171 HydrophobicContact CB-CD1 4.13Å; A134-Y171 HydrophobicContact CB-CE1 4.18Å; E138-Y171 HydrophobicContact CB-CE1 4.03Å; E138-Y171 WeakPolarHBondContact OE2-CE1 3.48Å; E138-Y171 VanDerWaalsContact OE2-CZ 3.3Å; E138-Y171 PolarHBondContact OE2-OH 3.31Å; Q167-Y171 WeakPolarHBondContact O-CB 3.48Å; Q167-Y171 PolarHBondContact O-N 2.89Å; L168-Y171 WeakPolarHBondContact O-CB 3.34Å; L168-Y171 PolarHBondContact O-N 2.98Å; L168-Y171 VanDerWaalsContact O-N 3.16Å; Q169-Y171 VanDerWaalsContact C-N 3.33Å; Y171-A173 VanDerWaalsContact C-N 3.34Å; Y171-A173 PolarHBondContact O-N 2.84Å; Y171-I174 HydrophobicContact CD2-CB 4.29Å; Y171-I174 HydrophobicContact CD2-CG2 4.42Å; Y171-I174 HydrophobicContact CE2-CG2 4.44Å; Y171-I174 WeakPolarHBondContact O-CB 3.37Å; Y171-I174 PolarHBondContact O-N 3.21Å; Y171-Y175 AromaticContact CD1-CD1 3.61Å; Y171-Y175 HydrophobicContact CD1-CD1 3.61Å; Y171-Y175 HydrophobicContact CD1-CE1 4.08Å; Y171-Y175 AromaticContact CE1-CD1 3.76Å; Y171-Y175 HydrophobicContact CE1-CD1 3.76Å; Y171-Y175 HydrophobicContact CE1-CE1 4.48Å; Y171-Y175 HydrophobicContact CG-CD1 4.05Å; Y171-Y175 WeakPolarHBondContact O-CD1 3.19Å; Y171-Y175 PolarHBondContact O-N 2.87Å
172E89.8Confident91.2Very high64 Ų6460.7 Ų60.730%0.29933%0.325SS..Hα-helixtrans-53.5-49.1179-176.1175.5-164.800112.4M137 E170 I174 Y175 S176M137-E172 HydrophobicContact CE-CB 4.36Å; E170-E172 VanDerWaalsContact C-N 3.29Å; E170-E172 PolarHBondContact O-N 3.17Å; E172-I174 VanDerWaalsContact C-N 3.29Å; E172-I174 PolarHBondContact O-N 3.18Å; E172-Y175 HydrophobicContact CB-CE1 4.23Å; E172-S176 WeakPolarHBondContact O-CB 3.14Å; E172-S176 PolarHBondContact O-N 3.26Å; E172-S176 PolarHBondContact O-OG 3.16Å
173A89.2Confident89.9Confident72 Ų7260.3 Ų60.360%0.59532%0.318SS*.Hα-helixtrans-64.1-37178.800000111.9E170 Y171 A177E170-A173 PolarHBondContact O-N 3.18Å; Y171-A173 VanDerWaalsContact C-N 3.34Å; Y171-A173 PolarHBondContact O-N 2.84Å; A173-A177 WeakPolarHBondContact O-CB 3.39Å; A173-A177 PolarHBondContact O-N 2.88Å; A173-A177 VanDerWaalsContact O-N 3.08Å
174I87.8Confident88.3Confident69 Ų6962 Ų6235%0.35433%0.328SS..Hα-helixtrans-68.9-49.9-176.6-67.5162.7000111.3I97 Y171 E172 K178I97-I174 HydrophobicContact CD1-CD1 3.4Å; I97-I174 HydrophobicContact CG1-CD1 4.35Å; Y171-I174 HydrophobicContact CD2-CB 4.29Å; Y171-I174 HydrophobicContact CD2-CG2 4.42Å; Y171-I174 HydrophobicContact CE2-CG2 4.44Å; Y171-I174 WeakPolarHBondContact O-CB 3.37Å; Y171-I174 PolarHBondContact O-N 3.21Å; E172-I174 VanDerWaalsContact C-N 3.29Å; E172-I174 PolarHBondContact O-N 3.18Å; I174-K178 WeakPolarHBondContact O-CG 3.47Å; I174-K178 PolarHBondContact O-N 3.16Å
175Y87Confident86.2Confident2 Ų267.3 Ų67.31%0.00836%0.363CS..Hα-helixtrans-73.6-33.8179.971.7-112.1000111.6F9 M137 E138 Y171 E172 A177 K178 L179F9-Y175 HydrophobicContact CZ-CE2 4.4Å; M137-Y175 HydrophobicContact CB-CE1 4.13Å; M137-Y175 PolarHBondContact O-OH 2.99Å; E138-Y175 HydrophobicContact CB-CD1 3.91Å; E138-Y175 HydrophobicContact CB-CD2 4.45Å; E138-Y175 HydrophobicContact CB-CE1 4.17Å; E138-Y175 HydrophobicContact CB-CG 4.06Å; E138-Y175 HydrophobicContact CG-CD1 4.17Å; E138-Y175 HydrophobicContact CG-CD2 4.13Å; E138-Y175 HydrophobicContact CG-CG 3.82Å; Y171-Y175 AromaticContact CD1-CD1 3.61Å; Y171-Y175 HydrophobicContact CD1-CD1 3.61Å; Y171-Y175 HydrophobicContact CD1-CE1 4.08Å; Y171-Y175 AromaticContact CE1-CD1 3.76Å; Y171-Y175 HydrophobicContact CE1-CD1 3.76Å; Y171-Y175 HydrophobicContact CE1-CE1 4.48Å; Y171-Y175 HydrophobicContact CG-CD1 4.05Å; Y171-Y175 WeakPolarHBondContact O-CD1 3.19Å; Y171-Y175 PolarHBondContact O-N 2.87Å; E172-Y175 HydrophobicContact CB-CE1 4.23Å; Y175-A177 PolarHBondContact O-N 3.34Å; Y175-K178 WeakPolarHBondContact O-CB 3.47Å; Y175-K178 PolarHBondContact O-N 3.31Å; Y175-L179 HydrophobicContact CD2-CD1 4.02Å; Y175-L179 WeakPolarHBondContact O-CG 3.42Å; Y175-L179 PolarHBondContact O-N 3Å
176S86.4Confident84.2Confident33 Ų3372.4 Ų72.423%0.23139%0.387CS..Hα-helixtrans-60-47.4176.4-63.50000111.2E172 K178 L179 T180E172-S176 WeakPolarHBondContact O-CB 3.14Å; E172-S176 PolarHBondContact O-N 3.26Å; E172-S176 PolarHBondContact O-OG 3.16Å; S176-K178 VanDerWaalsContact C-N 3.31Å; S176-K178 PolarHBondContact O-N 3.28Å; S176-L179 PolarHBondContact O-N 3.11Å; S176-L179 VanDerWaalsContact O-N 3.16Å; S176-T180 PolarHBondContact O-N 3.03Å; S176-T180 PolarHBondContact O-OG1 3.13Å
177A86.6Confident82Confident51 Ų5175.6 Ų75.642%0.42140%0.403SS..Hα-helixtrans-58.4-42.5175.900000112.2A173 Y175 T180 I181A173-A177 WeakPolarHBondContact O-CB 3.39Å; A173-A177 PolarHBondContact O-N 2.88Å; A173-A177 VanDerWaalsContact O-N 3.08Å; Y175-A177 PolarHBondContact O-N 3.34Å; A177-T180 PolarHBondContact O-N 2.85Å; A177-I181 VanDerWaalsContact O-CG1 3.31Å; A177-I181 WeakPolarHBondContact O-CG1 3.31Å; A177-I181 PolarHBondContact O-N 3.45Å
178K84.1Confident79.5Confident94 Ų9482.9 Ų82.941%0.40944%0.441SS..Hα-helixtrans-62.9-41.6176.3-71.2175.7-176.6178.10112.2I174 Y175 S176 K182I174-K178 WeakPolarHBondContact O-CG 3.47Å; I174-K178 PolarHBondContact O-N 3.16Å; Y175-K178 WeakPolarHBondContact O-CB 3.47Å; Y175-K178 PolarHBondContact O-N 3.31Å; S176-K178 VanDerWaalsContact C-N 3.31Å; S176-K178 PolarHBondContact O-N 3.28Å; K178-K182 WeakPolarHBondContact O-CG 3.24Å; K178-K182 PolarHBondContact O-N 3.02Å; K178-K182 VanDerWaalsContact O-N 3.12Å
179L84.1Confident76.9Confident41 Ų4186 Ų8622%0.21547%0.473CS..Hα-helixtrans-68.7-41178.7-67.4172000111.4L7 F9 Y175 S176 I181 K182 M183L7-L179 HydrophobicContact CD1-CB 4.14Å; L7-L179 HydrophobicContact CD1-CD1 4.36Å; L7-L179 HydrophobicContact CD2-CB 3.48Å; L7-L179 VanDerWaalsContact CD2-CB 3.48Å; L7-L179 HydrophobicContact CD2-CD1 4.09Å; L7-L179 HydrophobicContact CD2-CG 4.34Å; L7-L179 HydrophobicContact CG-CB 4.49Å; F9-L179 HydrophobicContact CE1-CD1 3.78Å; F9-L179 HydrophobicContact CZ-CD1 3.65Å; Y175-L179 HydrophobicContact CD2-CD1 4.02Å; Y175-L179 WeakPolarHBondContact O-CG 3.42Å; Y175-L179 PolarHBondContact O-N 3Å; S176-L179 PolarHBondContact O-N 3.11Å; S176-L179 VanDerWaalsContact O-N 3.16Å; L179-I181 PolarHBondContact O-N 3.09Å; L179-K182 PolarHBondContact O-N 2.89Å; L179-M183 WeakPolarHBondContact O-CG 3.41Å; L179-M183 PolarHBondContact O-N 2.84Å
180T85.2Confident74.6Confident77 Ų7791.8 Ų91.847%0.47249%0.491SS..Hα-helixtrans-58.8-45.3174.8-56.50000111.7S176 A177 K182 M183 S184S176-T180 PolarHBondContact O-N 3.03Å; S176-T180 PolarHBondContact O-OG1 3.13Å; A177-T180 PolarHBondContact O-N 2.85Å; T180-K182 VanDerWaalsContact C-N 3.33Å; T180-K182 PolarHBondContact O-N 2.75Å; T180-M183 PolarHBondContact O-N 3.45Å; T180-S184 PolarHBondContact O-N 2.88Å; T180-S184 PolarHBondContact O-OG 2.93Å
181I83.3Confident72.1Confident118 Ų11890.9 Ų90.961%0.60550%0.497SS*.Hα-helixtrans-62.6-39.5176.7-67.2164.6000111.4A177 L179 S184A177-I181 VanDerWaalsContact O-CG1 3.31Å; A177-I181 WeakPolarHBondContact O-CG1 3.31Å; A177-I181 PolarHBondContact O-N 3.45Å; L179-I181 PolarHBondContact O-N 3.09Å; I181-S184 CarbonylContact O-C 3.57Å; I181-S184 PolarHBondContact O-N 2.97Å
182K77.1Confident69.6Low168 Ų168100.2 Ų100.273%0.7354%0.538SS*.Hα-helixtrans-66.1-36.6176.9-75.2-179.8178.4-177.80112.8K178 L179 T180K178-K182 WeakPolarHBondContact O-CG 3.24Å; K178-K182 PolarHBondContact O-N 3.02Å; K178-K182 VanDerWaalsContact O-N 3.12Å; L179-K182 PolarHBondContact O-N 2.89Å; T180-K182 VanDerWaalsContact C-N 3.33Å; T180-K182 PolarHBondContact O-N 2.75Å
183M70.6Confident67.4Low89 Ų89101.3 Ų101.344%0.43855%0.552SS.*Hα-helixtrans-81.1-20.4179.8-68.5-174.47900113.6L7 L179 T180 P185L7-M183 HydrophobicContact CD2-SD 3.36Å; L7-M183 WeakPolarHBondContact CD2-SD 3.2Å; L7-M183 HydrophobicContact CG-SD 4.28Å; L179-M183 WeakPolarHBondContact O-CG 3.41Å; L179-M183 PolarHBondContact O-N 2.84Å; T180-M183 PolarHBondContact O-N 3.45Å; M183-P185 VanDerWaalsContact O-CD 3.31Å; M183-P185 WeakPolarHBondContact O-CD 3.43Å
184S64.9Low65.1Low42 Ų42106 Ų10629%0.29457%0.567SS.*  trans-112.985.9173.2510000109.3T180 I181 I186T180-S184 PolarHBondContact O-N 2.88Å; T180-S184 PolarHBondContact O-OG 2.93Å; I181-S184 CarbonylContact O-C 3.57Å; I181-S184 PolarHBondContact O-N 2.97Å; S184-I186 PolarHBondContact O-N 3.02Å
185P54.5Low62.8Low113 Ų113111 Ų11173%0.73459%0.589SS**  trans-6392164.526.4-29.9000106.4M183 Q187M183-P185 VanDerWaalsContact O-CD 3.31Å; M183-P185 WeakPolarHBondContact O-CD 3.43Å; P185-Q187 PolarHBondContact O-N 3.05Å
186I56.1Low60.8Low132 Ų132116.1 Ų116.168%0.67763%0.631SS**  trans-52.3119173.4-77.4170.8000105.6S184 L188S184-I186 PolarHBondContact O-N 3.02Å; I186-L188 PolarHBondContact O-N 3.31Å
187Q52Low58.4Low177 Ų177117.7 Ų117.783%0.82765%0.653SS**  trans-59.883.3166.2-69.8-172.4-13.500107.7P185 G189P185-Q187 PolarHBondContact O-N 3.05Å; Q187-G189 PolarHBondContact O-N 3.38Å
188L46Very low56.1Low175 Ų175124.2 Ų124.292%0.91668%0.676SS**THydrogen-bonded Turntrans-75.666.4169.6-163.271.4000107.7I186I186-L188 PolarHBondContact O-N 3.31Å
189G44.5Very low54.2Low64 Ų64125.5 Ų125.566%0.6669%0.694SS**THydrogen-bonded Turntrans-151.312.9-174.100000113.3Q187 S191Q187-G189 PolarHBondContact O-N 3.38Å; G189-S191 PolarHBondContact O-N 2.84Å
190R48.4Very low51.8Low227 Ų227127.3 Ų127.386%0.85772%0.723SS**  trans-86.793.1161.7-82.4-171.1178.4-161.30.1108.3F192R190-F192 PolarHBondContact O-N 2.96Å
191S41.1Very low49.7Very low98 Ų98129.5 Ų129.569%0.68574%0.742SS**  trans-55.7121.6162.264.10000108.1G189 S193G189-S191 PolarHBondContact O-N 2.84Å; S191-S193 VanDerWaalsContact C-N 3.28Å; S191-S193 PolarHBondContact O-N 3.25Å
192F42.4Very low47.6Very low199 Ų199132.1 Ų132.187%0.87376%0.756SS**  trans-66.896.1161.3-75.8-84.7000107.2R190 L194R190-F192 PolarHBondContact O-N 2.96Å; F192-L194 VanDerWaalsContact C-N 3.29Å; F192-L194 PolarHBondContact O-N 3.01Å
193S44.6Very low45.7Very low86 Ų86133.9 Ų133.960%0.60176%0.763SS**  trans-68.194.9165.2-67.90000107.6S191 H195S191-S193 VanDerWaalsContact C-N 3.28Å; S191-S193 PolarHBondContact O-N 3.25Å; S193-H195 PolarHBondContact O-N 2.67Å; S193-H195 PolarHBondContact O-ND1 3.44Å
194L40.8Very low44Very low171 Ų171141.3 Ų141.390%0.89579%0.787SS**  trans-55.3101.2166.6-74.8163.6000107.9F192 A196F192-L194 VanDerWaalsContact C-N 3.29Å; F192-L194 PolarHBondContact O-N 3.01Å; L194-A196 PolarHBondContact O-N 3.11Å
195H39.5Very low42.6Very low175 Ų175144.4 Ų144.481%0.8181%0.808SS**  trans-73.8106.2166.6-81.861.1000107.4S193 G197S193-H195 PolarHBondContact O-N 2.67Å; S193-H195 PolarHBondContact O-ND1 3.44Å; H195-G197 PolarHBondContact O-N 3.35Å
196A45.1Very low41.7Very low108 Ų108146.8 Ų146.889%0.89381%0.814SS**  trans-65.7117.6166.400000108.9L194L194-A196 PolarHBondContact O-N 3.11Å
197G35.6Very low41Very low67 Ų67149.4 Ų149.469%0.69182%0.823SS**  trans-160.577.5-179.500000113.7H195H195-G197 PolarHBondContact O-N 3.35Å
198M38.7Very low40.4Very low187 Ų187149.5 Ų149.592%0.92182%0.824SS**  trans54.4150.5147.4-73.4-83.8156.200121.9
199P43.3Very low40.3Very low121 Ų121149.1 Ų149.179%0.78682%0.823SS**  trans-94.3140.1-15936.8-31.8000113.6
200G35Very low40Very low79 Ų79154.9 Ų154.981%0.81483%0.833SS**  trans-120.8111.6168.900000110.6
201S40.8Very low39.6Very low124 Ų124150.7 Ų150.787%0.86783%0.827SS**  trans-56.2137.5171.8-670000111.8
202L38.5Very low39.3Very low173 Ų173155.1 Ų155.191%0.90683%0.834SS**  trans-155.9128.7138.5-94.2177.8000111.1
203K36.9Very low39.1Very low204 Ų204148.9 Ų148.989%0.88783%0.827SS**  trans-34.4136179.5-78.1163.5163.4177.40116.4
204R35.1Very low38.7Very low245 Ų245148.6 Ų148.693%0.92584%0.837SS**  trans-99.3111.9161-160.6-177.9-74.5-174.1-3.2107.4
205S36Very low38.8Very low107 Ų107150.1 Ų150.175%0.74884%0.842SS**  trans-88.7130169.543.20000109.3
206L35.7Very low39Very low163 Ų163150.2 Ų150.285%0.85384%0.843SS**  trans-89.8127.9168.6-76155.6000107
207E41.2Very low38.8Very low187 Ų187152 Ų15287%0.87484%0.842SS**  trans-123119.6158.8-74.7-177.6170.500107
208E39.5Very low39.1Very low179 Ų179155.3 Ų155.384%0.83685%0.849SS**  trans-82.6138.8169-66.5168.5157.600107.7
209D42.5Very low39.3Very low167 Ų167151 Ų15189%0.89384%0.844SS**  trans-138.1110.9154.7-85.8-39.7000107.7
210E40Very low39.3Very low186 Ų186154 Ų15487%0.86985%0.847SS**  trans-80.9142.9164.8-66.5-175.6143.600109.4
211D38.2Very low39.6Very low138 Ų138159.5 Ų159.574%0.73885%0.852SS**  146.6145.3109.2-153.87.4000116
212F36.3Very low39.7Very low191 Ų191161.9 Ų161.984%0.83885%0.854SS**  trans90.1115.4152.4-114.3-87.8000123.2
213G36.7Very low39.9Very low69 Ų69160.8 Ų160.871%0.71189%0.885SS**  trans139.880.1136.800000116.2
214G37.8Very low40.1Very low80 Ų80158.7 Ų158.783%0.82589%0.885SS**  trans-71146.5170.400000113.3
215M42.5Very low40.3Very low202 Ų202154.1 Ų154.1100%0.99588%0.883SS**  trans-152.9138.6151.2-144.2147.3-175.100112.3
216Q42.9Very low40.6Very low178 Ų178156.7 Ų156.783%0.83289%0.891SS**  trans-82.7141.1-162.3-159.7166.818.500111.8
217V41.2Very low40.9Very low145 Ų145156.4 Ų156.488%0.87989%0.893SS**  trans-83.4124.1171.2-1020000109.9
218T42.2Very low40.8Very low137 Ų137154.4 Ų154.484%0.8489%0.894SS**  trans-113.5136.2161.649.30000109.7
219A42.6Very low40.9Very low97 Ų97152.8 Ų152.880%0.80290%0.898SS**  trans-118.7125.9176.300000108.3
220E43.4Very low40.8Very low184 Ų184151.8 Ų151.886%0.8690%0.898SS**  trans-146.2109.6164.3-72.9-170.5150.800107
221Q42Very low40.9Very low194 Ų194149.2 Ų149.291%0.90790%0.901SS**  67.810898-78.1-171.221.300114.7
222N42Very low41.1Very low173 Ų173150.1 Ų150.193%0.92591%0.914SS**  trans-71.3132166.8-69.7-24.7000110.4
223G43.5Very low41.5Very low151 Ų151146.4 Ų146.4100%1.55792%0.921SS**  trans-109.20150.900000109.5

Retrieved 223 of 223 residues in 147.8 ms (Link to these results)

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